A0A060WDA7_ONCMY Loading...

palmitoyl-protein hydrolase

AlphaFold DB , UniProt , Accession A0A060WDA7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 232 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
1M36.9Very low63.4Low236 Ų23688.1 Ų88.1100%1.16351%0.508SS*.  0115.60-68.6-168.7-129.600106.1G3M1-G3 PolarHBondContact O-N 3.07Å
2C43.7Very low64.9Low138 Ų13885.6 Ų85.693%0.93251%0.506SS*.  trans-71115.4173.7-62.40000107.4
3G50.7Low66.5Low22 Ų2290.1 Ų90.123%0.22752%0.519CS..  trans-55.7144.6171.300000110.2M1 N5 N109M1-G3 PolarHBondContact O-N 3.07Å; G3-N5 VanDerWaalsContact C-N 3.35Å; G3-N5 PolarHBondContact O-N 3.25Å; G3-N5 PolarHBondContact O-OD1 2.76Å; G3-N109 VanDerWaalsContact CA-OD1 3.24Å; G3-N109 WeakPolarHBondContact CA-OD1 3.22Å
4N54.9Low68.5Low115 Ų11584.9 Ų84.962%0.61549%0.492SS*.  trans-7590178.3-168.117.3000109.5M6 S7N4-M6 PolarHBondContact O-N 3.04Å; N4-M6 WeakPolarHBondContact OD1-CB 3.4Å; N4-M6 WeakPolarHBondContact OD1-CG 3.46Å; N4-S7 PolarHBondContact O-N 2.93Å; N4-S7 VanDerWaalsContact O-N 3.13Å; N4-S7 PolarHBondContact O-OG 3.43Å
5N60.8Low70.3Confident71 Ų7181.4 Ų81.438%0.3847%0.472SS..G310 helixtrans-54.1-20.4178.9-701.1000112.9G3 S7 V8 L11 H105G3-N5 VanDerWaalsContact C-N 3.35Å; G3-N5 PolarHBondContact O-N 3.25Å; G3-N5 PolarHBondContact O-OD1 2.76Å; N5-S7 PolarHBondContact O-N 3.49Å; N5-V8 PolarHBondContact O-N 3.44Å; N5-V8 VanDerWaalsContact O-N 3.13Å; N5-L11 HydrophobicContact CB-CB 4.5Å; N5-H105 PolarHBondContact OD1-CE1 3.15Å
6M57.9Low72Confident152 Ų15280.1 Ų80.175%0.74947%0.466SS*.G310 helixtrans-58-18.7176-66.8-73.6-72.200114.2N4N4-M6 PolarHBondContact O-N 3.04Å; N4-M6 WeakPolarHBondContact OD1-CB 3.4Å; N4-M6 WeakPolarHBondContact OD1-CG 3.46Å
7S65.9Low73.5Confident86 Ų8676.2 Ų76.260%0.60144%0.444SS*.G310 helixtrans-82.1-13.5179.358.40000114.3N4 N5N4-S7 PolarHBondContact O-N 2.93Å; N4-S7 VanDerWaalsContact O-N 3.13Å; N4-S7 PolarHBondContact O-OG 3.43Å; N5-S7 PolarHBondContact O-N 3.49Å
8V81Confident74.7Confident13 Ų1375.9 Ų75.98%0.07945%0.446CS..SBendtrans-127.999.2178.1-178.10000108.1N5 L10 L11 A12 A101 I102 H105N5-V8 PolarHBondContact O-N 3.44Å; N5-V8 VanDerWaalsContact O-N 3.13Å; V8-L10 VanDerWaalsContact C-N 3.27Å; V8-L10 PolarHBondContact O-N 3.23Å; V8-L10 VanDerWaalsContact O-N 3.11Å; V8-L11 HydrophobicContact CB-CB 4.14Å; V8-L11 HydrophobicContact CB-CD1 3.93Å; V8-L11 HydrophobicContact CB-CG 4.26Å; V8-L11 HydrophobicContact CG1-CB 4.24Å; V8-L11 HydrophobicContact CG1-CD1 4.02Å; V8-L11 HydrophobicContact CG1-CG 4.04Å; V8-L11 HydrophobicContact CG2-CD1 4.34Å; V8-L11 WeakPolarHBondContact O-CB 3.06Å; V8-L11 PolarHBondContact O-N 3.41Å; V8-A12 PolarHBondContact O-N 3.13Å; V8-A101 HydrophobicContact CG1-CB 4.32Å; V8-I102 HydrophobicContact CG1-CG1 3.87Å; V8-H105 HydrophobicContact CG2-CB 4.01Å
9P81.1Confident75.7Confident104 Ų10472.8 Ų72.868%0.67543%0.432SS*.Hα-helixtrans-53-39.9-169.9-30.335.5000114.6L11 A12P9-L11 VanDerWaalsContact C-N 3.26Å; P9-L11 PolarHBondContact O-N 2.92Å; P9-A12 PolarHBondContact O-N 3.26Å
10L81.8Confident76.7Confident26 Ų2673.7 Ų73.714%0.13644%0.438CS..Hα-helixtrans-66.5-24.8178.6-67.4-177.9000113.8V8 A14 P57 H58 W75 N98 I99 I102V8-L10 VanDerWaalsContact C-N 3.27Å; V8-L10 PolarHBondContact O-N 3.23Å; V8-L10 VanDerWaalsContact O-N 3.11Å; L10-A14 WeakPolarHBondContact O-CB 3.35Å; L10-A14 PolarHBondContact O-N 2.66Å; L10-P57 HydrophobicContact CB-CB 4.35Å; L10-H58 WeakPolarHBondContact CD2-O 3.07Å; L10-W75 HydrophobicContact CD1-CZ3 4.13Å; L10-W75 HydrophobicContact CD2-CZ3 4.49Å; L10-N98 HydrophobicContact CD1-CB 3.66Å; L10-I99 HydrophobicContact CD1-CD1 4.07Å; L10-I102 HydrophobicContact CB-CD1 3.97Å; L10-I102 HydrophobicContact CD1-CD1 4.36Å
11L83.3Confident77.7Confident6 Ų673.7 Ų73.73%0.03143%0.434CS..Hα-helixtrans-79.8-28.1176-84176.4000112.7N5 V8 P9 E13 A14 I55 I102 H105N5-L11 HydrophobicContact CB-CB 4.5Å; V8-L11 HydrophobicContact CB-CB 4.14Å; V8-L11 HydrophobicContact CB-CD1 3.93Å; V8-L11 HydrophobicContact CB-CG 4.26Å; V8-L11 HydrophobicContact CG1-CB 4.24Å; V8-L11 HydrophobicContact CG1-CD1 4.02Å; V8-L11 HydrophobicContact CG1-CG 4.04Å; V8-L11 HydrophobicContact CG2-CD1 4.34Å; V8-L11 WeakPolarHBondContact O-CB 3.06Å; V8-L11 PolarHBondContact O-N 3.41Å; P9-L11 VanDerWaalsContact C-N 3.26Å; P9-L11 PolarHBondContact O-N 2.92Å; L11-E13 PolarHBondContact O-N 3.29Å; L11-A14 PolarHBondContact O-N 2.98Å; L11-I55 HydrophobicContact CD2-CD1 4.21Å; L11-I55 HydrophobicContact CD2-CG2 3.59Å; L11-I102 HydrophobicContact CD1-CG2 4.07Å; L11-I102 HydrophobicContact CD2-CG2 3.78Å; L11-I102 HydrophobicContact CG-CB 4.46Å; L11-I102 HydrophobicContact CG-CG1 4.09Å; L11-I102 HydrophobicContact CG-CG2 3.94Å; L11-H105 HydrophobicContact CD1-CB 3.82Å; L11-H105 VanDerWaalsContact CD1-CG 3.49Å; L11-H105 VanDerWaalsContact CD1-ND1 3.28Å; L11-H105 WeakPolarHBondContact CD1-ND1 3.09Å
12A80.4Confident80.5Confident58 Ų5871 Ų7148%0.47942%0.416SS..Hα-helixtrans-63.7-33.3-178.700000112.1V8 P9V8-A12 PolarHBondContact O-N 3.13Å; P9-A12 PolarHBondContact O-N 3.26Å
13E86.2Confident83.1Confident144 Ų14467.4 Ų67.467%0.67339%0.385SS*.SBendtrans-105.60.2-179.3-59.5-173.7169.800112.9L11 H58L11-E13 PolarHBondContact O-N 3.29Å; E13-H58 PolarHBondContact O-CD2 2.78Å; E13-H58 PolarHBondContact O-NE2 3.13Å
14A94.1Very high85.4Confident17 Ų1767.6 Ų67.614%0.1438%0.382CS..  trans-67.3140.6-177.300000112.8L10 L11 T16 I55 P57L10-A14 WeakPolarHBondContact O-CB 3.35Å; L10-A14 PolarHBondContact O-N 2.66Å; L11-A14 PolarHBondContact O-N 2.98Å; A14-T16 PolarHBondContact O-N 2.77Å; A14-I55 HydrophobicContact CB-CG2 3.88Å; A14-P57 HydrophobicContact CB-CB 4.22Å
15V96.4Very high87.5Confident33 Ų3362.1 Ų62.120%0.235%0.352CS..EExtended strand (participates in β ladder)trans-78.5117166.6-172.10000107.9A41 C56V15-A41 HydrophobicContact CB-CB 4Å; V15-A41 HydrophobicContact CG1-CB 3.41Å; V15-A41 VanDerWaalsContact CG1-CB 3.41Å; V15-C56 HydrophobicContact CB-CB 4.47Å; V15-C56 PolarHBondContact N-O 2.74Å; V15-C56 WeakPolarHBondContact O-CB 3.46Å; V15-C56 PolarHBondContact O-N 3.15Å
16T97Very high89.3Confident60 Ų6058.7 Ų58.737%0.36833%0.334SS..EExtended strand (participates in β ladder)trans-112.2117.7-178.7-57.70000110.8A14 S18 Y54 I55A14-T16 PolarHBondContact O-N 2.77Å; T16-S18 PolarHBondContact O-N 3.43Å; T16-Y54 CarbonylContact C-O 3.59Å; T16-Y54 WeakPolarHBondContact CA-O 3.36Å; T16-I55 HydrophobicContact CG2-CG1 4.36Å
17V96.9Very high91.2Very high15 Ų1551.6 Ų51.69%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-85.9107.8168.5-173.30000107.6A41 T45 K53 Y54V17-A41 HydrophobicContact CG2-CB 3.89Å; V17-A41 WeakPolarHBondContact CG2-O 3.4Å; V17-T45 WeakPolarHBondContact CG1-OG1 3.2Å; V17-T45 WeakPolarHBondContact CG2-OG1 3.39Å; V17-K53 WeakPolarHBondContact O-CA 3.26Å; V17-Y54 HydrophobicContact CB-CD2 4.43Å; V17-Y54 PolarHBondContact N-O 2.9Å; V17-Y54 PolarHBondContact O-N 3.32Å
18S96.2Very high92.8Very high71 Ų7147.5 Ų47.550%0.49727%0.271SS..  trans-73.7148.6179.8-54.30000111.5T16 E23T16-S18 PolarHBondContact O-N 3.43Å; S18-E23 WeakPolarHBondContact CA-OE1 3.4Å
19G94Very high93.6Very high17 Ų1747 Ų4718%0.17527%0.268CS..  trans-62.2158.2166.700000111.4E21 E23 P50G19-E21 VanDerWaalsContact C-N 3.34Å; G19-E23 PolarHBondContact N-OE1 3.11Å; G19-P50 CarbonylContact C-O 3.59Å; G19-P50 VanDerWaalsContact CA-O 3.22Å; G19-P50 WeakPolarHBondContact CA-O 3.38Å
20T95.8Very high94.5Very high90 Ų9042 Ų4255%0.55224%0.235SC*.SBendtrans-88.8-7.1170.958.30000112.5P50T20-P50 PolarHBondContact N-O 3.32Å; T20-P50 WeakPolarHBondContact OG1-CA 3.42Å; T20-P50 WeakPolarHBondContact OG1-CB 3.41Å
21E96.1Very high95.3Very high74 Ų7440.8 Ų40.835%0.34623%0.229SC..SBendtrans-124.4-175.7175.2-64-176.4-174.300110.5G19 E23 P50 R231G19-E21 VanDerWaalsContact C-N 3.34Å; E21-E23 PolarHBondContact O-N 3.43Å; E21-E23 VanDerWaalsContact O-N 3.14Å; E21-P50 HydrophobicContact CB-CB 4.34Å; E21-P50 HydrophobicContact CG-CB 3.8Å; E21-P50 PolarHBondContact N-O 2.65Å; E21-R231 IonicContact OE1-CZ 3.73Å; E21-R231 VanDerWaalsContact OE1-CZ 3.27Å; E21-R231 IonicContact OE1-NH1 3.92Å; E21-R231 IonicContact OE1-NH2 2.74Å; E21-R231 PolarHBondContact OE1-NH2 3.17Å; E21-R231 IonicContact OE2-CZ 2.62Å; E21-R231 IonicContact OE2-NE 2.96Å; E21-R231 PolarHBondContact OE2-NE 2.85Å; E21-R231 IonicContact OE2-NH2 2.64Å; E21-R231 PolarHBondContact OE2-NH2 2.87Å
22K96.6Very high96Very high180 Ų18040.8 Ų40.878%0.78323%0.23SC*.  trans-57.7121.3170.5-175.1-177.8177.7-173.50109.5T24K22-T24 PolarHBondContact O-N 3.37Å
23E98.4Very high96.8Very high61 Ų6140.3 Ų40.329%0.28522%0.219SC..  trans-70.2119.5179.5-59.6172.2156.500109.7S18 G19 E21 H51 K53S18-E23 WeakPolarHBondContact CA-OE1 3.4Å; G19-E23 PolarHBondContact N-OE1 3.11Å; E21-E23 PolarHBondContact O-N 3.43Å; E21-E23 VanDerWaalsContact O-N 3.14Å; E23-H51 WeakPolarHBondContact CA-O 3.47Å; E23-K53 HydrophobicContact CB-CD 4.31Å; E23-K53 VanDerWaalsContact CD-CB 3.49Å; E23-K53 HydrophobicContact CG-CB 4.04Å; E23-K53 HydrophobicContact CG-CD 4.39Å; E23-K53 VanDerWaalsContact OE1-CB 3.29Å; E23-K53 WeakPolarHBondContact OE1-CB 3.31Å; E23-K53 WeakPolarHBondContact OE2-CD 3.46Å; E23-K53 IonicContact OE2-NZ 3.65Å
24T98.5Very high97.2Very high26 Ų2635.6 Ų35.616%0.1621%0.209CC..  trans-119.50.8178.5610000112.3K22 H51 R115 I232K22-T24 PolarHBondContact O-N 3.37Å; T24-H51 PolarHBondContact N-O 3.34Å; T24-R115 WeakPolarHBondContact O-CB 3.5Å; T24-R115 PolarHBondContact O-NE 2.9Å; T24-R115 PolarHBondContact OG1-NH2 3.46Å; T24-I232 HydrophobicContact CG2-CD1 4.33Å; T24-I232 HydrophobicContact CG2-CG1 3.95Å
25A98.8Very high97.3Very high0 Ų037.6 Ų37.60%022%0.217CC..EExtended strand (participates in β ladder)trans-154157-178.900000110.6H51 V52 K53 R115 L229A25-H51 PolarHBondContact N-O 2.94Å; A25-V52 HydrophobicContact CB-CG1 4.44Å; A25-V52 HydrophobicContact CB-CG2 3.97Å; A25-V52 WeakPolarHBondContact O-CA 3.37Å; A25-K53 PolarHBondContact O-N 2.91Å; A25-R115 CarbonylContact C-O 3.51Å; A25-R115 VanDerWaalsContact CA-O 3.26Å; A25-R115 WeakPolarHBondContact CA-O 3.3Å; A25-R115 HydrophobicContact CB-CB 4.28Å; A25-R115 WeakPolarHBondContact CB-O 3.28Å; A25-L229 HydrophobicContact CB-CB 4.2Å; A25-L229 HydrophobicContact CB-CD1 4.07Å; A25-L229 HydrophobicContact CB-CD2 3.86Å; A25-L229 HydrophobicContact CB-CG 4.27Å
26A98.8Very high97.3Very high0 Ų037.9 Ų37.90%022%0.221CC..EExtended strand (participates in β ladder)trans-133.8142.2177.500000111.3K53 I111 R115 V116 M117A26-K53 CarbonylContact C-O 3.55Å; A26-K53 VanDerWaalsContact CA-O 3.31Å; A26-K53 WeakPolarHBondContact CA-O 3.39Å; A26-K53 HydrophobicContact CB-CG 3.86Å; A26-I111 HydrophobicContact CB-CD1 4.1Å; A26-I111 HydrophobicContact CB-CG2 4.35Å; A26-R115 PolarHBondContact N-O 2.83Å; A26-V116 CarbonylContact O-C 3.41Å; A26-V116 WeakPolarHBondContact O-CA 3.3Å; A26-M117 PolarHBondContact O-N 3.39Å
27V98.9Very high97.1Very high3 Ų335 Ų352%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-112.8122.2164.8175.50000107.2F29 V52 K53 Y54 I55 M117 I225 L229V27-F29 HydrophobicContact CG1-CB 4.48Å; V27-V52 HydrophobicContact CG2-CG1 3.77Å; V27-K53 PolarHBondContact N-O 3.39Å; V27-Y54 HydrophobicContact CB-CD1 3.64Å; V27-Y54 HydrophobicContact CB-CE1 4.02Å; V27-Y54 HydrophobicContact CB-CG 4.36Å; V27-Y54 HydrophobicContact CG1-CD1 3.99Å; V27-Y54 HydrophobicContact CG1-CE1 4.42Å; V27-Y54 HydrophobicContact CG2-CD1 4.04Å; V27-Y54 HydrophobicContact CG2-CE1 3.86Å; V27-Y54 CarbonylContact O-C 3.54Å; V27-Y54 VanDerWaalsContact O-CA 3.32Å; V27-Y54 WeakPolarHBondContact O-CA 3.39Å; V27-I55 PolarHBondContact O-N 2.95Å; V27-M117 CarbonylContact C-O 3.47Å; V27-M117 WeakPolarHBondContact CA-O 3.24Å; V27-M117 HydrophobicContact CG2-CB 4.2Å; V27-I225 HydrophobicContact CG2-CD1 4.29Å; V27-I225 HydrophobicContact CG2-CG1 4.45Å; V27-I225 HydrophobicContact CG2-CG2 4.35Å; V27-L229 HydrophobicContact CG2-CD1 4.08Å
28I98.8Very high96.9Very high0 Ų039.5 Ų39.50%022%0.223CC..EExtended strand (participates in β ladder)trans-101.2111.2172.5-57.1162.1000106.7L30 I55 P57 I102 I103 V116 M117 L118 G119I28-L30 HydrophobicContact CG2-CD2 4.07Å; I28-I55 CarbonylContact C-O 3.6Å; I28-I55 WeakPolarHBondContact CA-O 3.35Å; I28-I55 HydrophobicContact CG1-CB 4.41Å; I28-I55 HydrophobicContact CG1-CD1 4.18Å; I28-P57 HydrophobicContact CG2-CG 4.45Å; I28-I102 HydrophobicContact CD1-CB 4.15Å; I28-I102 HydrophobicContact CD1-CG2 3.56Å; I28-I102 HydrophobicContact CG1-CG2 4.02Å; I28-I102 HydrophobicContact CG2-CG2 4.44Å; I28-I103 HydrophobicContact CD1-CG1 3.83Å; I28-V116 HydrophobicContact CD1-CG1 3.76Å; I28-V116 HydrophobicContact CG1-CG1 4.37Å; I28-M117 PolarHBondContact N-O 2.81Å; I28-L118 HydrophobicContact CB-CD2 3.77Å; I28-L118 HydrophobicContact CD1-CD2 3.87Å; I28-L118 HydrophobicContact CG1-CD2 4.34Å; I28-L118 HydrophobicContact CG2-CD2 4.33Å; I28-L118 CarbonylContact O-C 3.54Å; I28-G119 PolarHBondContact O-N 3Å
29F98.8Very high96.5Very high2 Ų237.7 Ų37.71%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-111.8118.9-173.4-161-80.9000112.5V27 W40 M44 I55 G119 F121 L145V27-F29 HydrophobicContact CG1-CB 4.48Å; F29-W40 HydrophobicContact CD1-CB 3.86Å; F29-W40 AromaticContact CD1-CD2 3.89Å; F29-W40 HydrophobicContact CD1-CD2 3.89Å; F29-W40 AromaticContact CD1-CE3 3.95Å; F29-W40 HydrophobicContact CD1-CE3 3.95Å; F29-W40 AromaticContact CD1-CG 3.84Å; F29-W40 HydrophobicContact CD1-CG 3.84Å; F29-W40 HydrophobicContact CE1-CB 4.17Å; F29-W40 AromaticContact CE1-CD2 3.24Å; F29-W40 HydrophobicContact CE1-CD2 3.24Å; F29-W40 AromaticContact CE1-CE2 3.86Å; F29-W40 AromaticContact CE1-CE3 3.21Å; F29-W40 HydrophobicContact CE1-CE3 3.21Å; F29-W40 AromaticContact CE1-CG 3.66Å; F29-W40 HydrophobicContact CE1-CG 3.66Å; F29-W40 HydrophobicContact CE1-CH2 4.3Å; F29-W40 HydrophobicContact CE1-CZ2 4.36Å; F29-W40 AromaticContact CE1-CZ3 3.76Å; F29-W40 HydrophobicContact CE1-CZ3 3.76Å; F29-W40 HydrophobicContact CZ-CD2 4.01Å; F29-W40 AromaticContact CZ-CE3 3.53Å; F29-W40 HydrophobicContact CZ-CE3 3.53Å; F29-W40 HydrophobicContact CZ-CH2 4.19Å; F29-W40 AromaticContact CZ-CZ3 3.62Å; F29-W40 HydrophobicContact CZ-CZ3 3.62Å; F29-M44 HydrophobicContact CB-CE 4.4Å; F29-M44 HydrophobicContact CD1-CE 4.02Å; F29-M44 HydrophobicContact CD2-CE 3.26Å; F29-M44 HydrophobicContact CD2-SD 4.09Å; F29-M44 HydrophobicContact CE1-CE 4.1Å; F29-M44 HydrophobicContact CE2-CE 3.33Å; F29-M44 HydrophobicContact CG-CE 3.61Å; F29-M44 HydrophobicContact CG-SD 4.37Å; F29-M44 HydrophobicContact CZ-CE 3.77Å; F29-I55 PolarHBondContact N-O 3.14Å; F29-G119 CarbonylContact C-O 3.54Å; F29-G119 VanDerWaalsContact CA-O 3.24Å; F29-G119 WeakPolarHBondContact CA-O 3.29Å; F29-F121 HydrophobicContact CE1-CB 4.34Å; F29-F121 HydrophobicContact CZ-CB 4.44Å; F29-L145 HydrophobicContact CE2-CD1 4.21Å; F29-L145 HydrophobicContact CZ-CD1 3.83Å; F29-L145 HydrophobicContact CZ-CG 4.42Å
30L98.8Very high96.5Very high0 Ų037.6 Ų37.60%021%0.21CC..EExtended strand (participates in β ladder)trans-99.8122.8-174.2-49.8-175.7000111I28 P57 W75 I99 G119 G120 F121 G124 L127 S128I28-L30 HydrophobicContact CG2-CD2 4.07Å; L30-P57 HydrophobicContact CD2-CG 3.51Å; L30-W75 HydrophobicContact CB-CZ2 3.98Å; L30-W75 HydrophobicContact CD2-CH2 4.02Å; L30-W75 HydrophobicContact CD2-CZ2 3.98Å; L30-W75 HydrophobicContact CG-CZ2 4.5Å; L30-I99 HydrophobicContact CD1-CD1 4.06Å; L30-I99 HydrophobicContact CD1-CG1 3.93Å; L30-I99 HydrophobicContact CD2-CD1 3.69Å; L30-I99 HydrophobicContact CD2-CG1 4.43Å; L30-G119 PolarHBondContact N-O 3.06Å; L30-G120 CarbonylContact O-C 3.59Å; L30-G120 WeakPolarHBondContact O-CA 3.35Å; L30-F121 PolarHBondContact O-N 2.81Å; L30-G124 WeakPolarHBondContact O-CA 3.4Å; L30-L127 HydrophobicContact CD1-CB 4Å; L30-L127 HydrophobicContact CD1-CD2 3.81Å; L30-L127 HydrophobicContact CD1-CG 3.84Å; L30-S128 WeakPolarHBondContact CD1-OG 3.48Å
31H98.6Very high96.6Very high0 Ų033.5 Ų33.50%019%0.185CC..PPolyproline II helixtrans-72.6166.4179.768.580.8000112.9D35 S36 G37 W40 P57 A59 W75 G124H31-D35 HydrophobicContact CB-CB 4.15Å; H31-D35 VanDerWaalsContact CE1-C 3.45Å; H31-D35 PolarHBondContact CE1-O 2.75Å; H31-D35 PolarHBondContact ND1-O 3.04Å; H31-S36 VanDerWaalsContact CD2-C 3.43Å; H31-G37 PolarHBondContact CD2-N 3.37Å; H31-W40 VanDerWaalsContact CB-CD1 3.49Å; H31-W40 HydrophobicContact CB-CG 4.45Å; H31-P57 PolarHBondContact CD2-O 2.93Å; H31-P57 VanDerWaalsContact CD2-O 3.3Å; H31-A59 VanDerWaalsContact CE1-CB 3.49Å; H31-A59 WeakPolarHBondContact CE1-CB 3.43Å; H31-A59 PolarHBondContact NE2-N 2.91Å; H31-W75 AromaticContact CD2-CZ2 3.85Å; H31-W75 AromaticContact NE2-CZ2 3.89Å; H31-W75 PolarHBondContact O-NE1 3.45Å; H31-G124 WeakPolarHBondContact O-CA 3.23Å; H31-G124 PolarHBondContact O-N 3.42Å
32G98Very high96.5Very high5 Ų535.8 Ų35.85%0.05220%0.2CC..PPolyproline II helixtrans-77.8173.817600000113.9G34 D35 F121G32-G34 PolarHBondContact O-N 3.34Å; G32-D35 WeakPolarHBondContact O-CB 3.39Å; G32-D35 PolarHBondContact O-N 3.23Å; G32-F121 WeakPolarHBondContact CA-O 3.48Å; G32-F121 PolarHBondContact N-O 3.03Å
33L97.7Very high96.4Very high49 Ų4929.1 Ų29.126%0.25717%0.174SC..THydrogen-bonded Turntrans-54.1133178175.867.1000111.7D35 V64 M72 S74 L78L33-D35 PolarHBondContact O-N 3.02Å; L33-V64 HydrophobicContact CD1-CG1 4.34Å; L33-V64 HydrophobicContact CD1-CG2 3.99Å; L33-V64 HydrophobicContact CD2-CG1 4.44Å; L33-M72 HydrophobicContact CD1-CG 4.34Å; L33-M72 HydrophobicContact CD1-SD 4.09Å; L33-M72 HydrophobicContact CG-SD 4.28Å; L33-S74 WeakPolarHBondContact CD1-OG 3.43Å; L33-L78 HydrophobicContact CD2-CD2 3.99Å
34G95.3Very high96.3Very high44 Ų4426.2 Ų26.245%0.45416%0.161SC..THydrogen-bonded Turntrans79.2-11175.500000115.6G32 P73G32-G34 PolarHBondContact O-N 3.34Å; G34-P73 PolarHBondContact N-O 3.27Å
35D95.3Very high96.3Very high60 Ų6027.6 Ų27.632%0.32117%0.169SC..  trans-86.5-170.2179.7-163.33.8000111.8H31 G32 L33 W40 P73H31-D35 HydrophobicContact CB-CB 4.15Å; H31-D35 VanDerWaalsContact CE1-C 3.45Å; H31-D35 PolarHBondContact CE1-O 2.75Å; H31-D35 PolarHBondContact ND1-O 3.04Å; G32-D35 WeakPolarHBondContact O-CB 3.39Å; G32-D35 PolarHBondContact O-N 3.23Å; L33-D35 PolarHBondContact O-N 3.02Å; D35-W40 PolarHBondContact OD2-NE1 3.18Å; D35-P73 WeakPolarHBondContact O-CB 3.32Å
36S95.3Very high96.1Very high38 Ų3831.7 Ų31.727%0.26620%0.203SC..  trans-141.4163173.677.60000111.2H31 H38 G39H31-S36 VanDerWaalsContact CD2-C 3.43Å; S36-H38 PolarHBondContact O-N 3.16Å; S36-H38 VanDerWaalsContact O-N 3.1Å; S36-H38 PolarHBondContact OG-N 3Å; S36-G39 PolarHBondContact O-N 3.1Å
37G93.4Very high96Very high0 Ų032.3 Ų32.30%021%0.206CC..Hα-helixtrans-56.4-19.6171.900000115.8H31 A41 C56 H58H31-G37 PolarHBondContact CD2-N 3.37Å; G37-A41 VanDerWaalsContact O-CB 3.27Å; G37-A41 WeakPolarHBondContact O-CB 3.28Å; G37-A41 PolarHBondContact O-N 3.16Å; G37-C56 VanDerWaalsContact O-CB 3.3Å; G37-C56 WeakPolarHBondContact O-CB 3.22Å; G37-H58 PolarHBondContact N-CE1 3.46Å; G37-H58 PolarHBondContact N-ND1 2.73Å
38H93.6Very high95.9Very high109 Ų10937.6 Ų37.651%0.50523%0.226SC..Hα-helixtrans-63.5-48.9-179.8-69.792.9000112.2S36 W40 A41 D42 H58S36-H38 PolarHBondContact O-N 3.16Å; S36-H38 VanDerWaalsContact O-N 3.1Å; S36-H38 PolarHBondContact OG-N 3Å; H38-W40 VanDerWaalsContact C-N 3.28Å; H38-W40 PolarHBondContact O-N 3.25Å; H38-A41 PolarHBondContact O-N 3.33Å; H38-D42 PolarHBondContact O-N 3.24Å; H38-H58 AromaticContact CE1-CE1 3.57Å; H38-H58 AromaticContact CE1-NE2 3.45Å; H38-H58 PolarHBondContact CE1-NE2 2.74Å; H38-H58 AromaticContact ND1-CE1 3.32Å; H38-H58 PolarHBondContact ND1-CE1 2.64Å; H38-H58 VanDerWaalsContact ND1-CE1 3.32Å; H38-H58 AromaticContact ND1-NE2 3.7Å
39G86.6Confident95.9Very high34 Ų3438.1 Ų38.135%0.35123%0.228SC..Hα-helixtrans-62.7-35.9-176.600000112.9S36 T43S36-G39 PolarHBondContact O-N 3.1Å; G39-T43 PolarHBondContact O-N 3.2Å; G39-T43 PolarHBondContact O-OG1 3.28Å
40W95.6Very high95.9Very high15 Ų1540.5 Ų40.56%0.05724%0.244CC..Hα-helixtrans-80.3-30.6176.3-74.594.8000113.2F29 H31 D35 H38 D42 T43 M44 F121 L145 M218F29-W40 HydrophobicContact CD1-CB 3.86Å; F29-W40 AromaticContact CD1-CD2 3.89Å; F29-W40 HydrophobicContact CD1-CD2 3.89Å; F29-W40 AromaticContact CD1-CE3 3.95Å; F29-W40 HydrophobicContact CD1-CE3 3.95Å; F29-W40 AromaticContact CD1-CG 3.84Å; F29-W40 HydrophobicContact CD1-CG 3.84Å; F29-W40 HydrophobicContact CE1-CB 4.17Å; F29-W40 AromaticContact CE1-CD2 3.24Å; F29-W40 HydrophobicContact CE1-CD2 3.24Å; F29-W40 AromaticContact CE1-CE2 3.86Å; F29-W40 AromaticContact CE1-CE3 3.21Å; F29-W40 HydrophobicContact CE1-CE3 3.21Å; F29-W40 AromaticContact CE1-CG 3.66Å; F29-W40 HydrophobicContact CE1-CG 3.66Å; F29-W40 HydrophobicContact CE1-CH2 4.3Å; F29-W40 HydrophobicContact CE1-CZ2 4.36Å; F29-W40 AromaticContact CE1-CZ3 3.76Å; F29-W40 HydrophobicContact CE1-CZ3 3.76Å; F29-W40 HydrophobicContact CZ-CD2 4.01Å; F29-W40 AromaticContact CZ-CE3 3.53Å; F29-W40 HydrophobicContact CZ-CE3 3.53Å; F29-W40 HydrophobicContact CZ-CH2 4.19Å; F29-W40 AromaticContact CZ-CZ3 3.62Å; F29-W40 HydrophobicContact CZ-CZ3 3.62Å; H31-W40 VanDerWaalsContact CB-CD1 3.49Å; H31-W40 HydrophobicContact CB-CG 4.45Å; D35-W40 PolarHBondContact OD2-NE1 3.18Å; H38-W40 VanDerWaalsContact C-N 3.28Å; H38-W40 PolarHBondContact O-N 3.25Å; W40-D42 VanDerWaalsContact C-N 3.33Å; W40-D42 PolarHBondContact O-N 3.14Å; W40-T43 HydrophobicContact CE3-CG2 4.2Å; W40-T43 HydrophobicContact CZ3-CG2 4.16Å; W40-T43 PolarHBondContact O-N 3.24Å; W40-M44 HydrophobicContact CE3-CE 3.89Å; W40-M44 HydrophobicContact CZ3-CE 4.34Å; W40-M44 WeakPolarHBondContact O-CB 3.49Å; W40-M44 WeakPolarHBondContact O-CG 3.37Å; W40-M44 PolarHBondContact O-N 2.98Å; W40-F121 HydrophobicContact CH2-CB 3.8Å; W40-F121 AromaticContact CH2-CD2 3.92Å; W40-F121 HydrophobicContact CH2-CD2 3.92Å; W40-F121 AromaticContact CH2-CG 3.99Å; W40-F121 HydrophobicContact CH2-CG 3.99Å; W40-F121 HydrophobicContact CZ2-CB 3.24Å; W40-F121 AromaticContact CZ2-CD1 3.93Å; W40-F121 HydrophobicContact CZ2-CD1 3.93Å; W40-F121 AromaticContact CZ2-CD2 3.7Å; W40-F121 HydrophobicContact CZ2-CD2 3.7Å; W40-F121 AromaticContact CZ2-CG 3.35Å; W40-F121 HydrophobicContact CZ2-CG 3.35Å; W40-L145 HydrophobicContact CH2-CD1 3.99Å; W40-L145 HydrophobicContact CZ3-CD1 3.98Å; W40-M218 HydrophobicContact CZ3-SD 4.49Å
41A96.4Very high95.8Very high3 Ų341.1 Ų41.13%0.02525%0.247CC..Hα-helixtrans-61.4-40.6174.100000112.2V15 V17 G37 H38 T43 M44 T45 C56V15-A41 HydrophobicContact CB-CB 4Å; V15-A41 HydrophobicContact CG1-CB 3.41Å; V15-A41 VanDerWaalsContact CG1-CB 3.41Å; V17-A41 HydrophobicContact CG2-CB 3.89Å; V17-A41 WeakPolarHBondContact CG2-O 3.4Å; G37-A41 VanDerWaalsContact O-CB 3.27Å; G37-A41 WeakPolarHBondContact O-CB 3.28Å; G37-A41 PolarHBondContact O-N 3.16Å; H38-A41 PolarHBondContact O-N 3.33Å; A41-T43 VanDerWaalsContact C-N 3.35Å; A41-M44 PolarHBondContact O-N 3.08Å; A41-T45 WeakPolarHBondContact O-CB 3.41Å; A41-T45 PolarHBondContact O-N 3.27Å; A41-T45 PolarHBondContact O-OG1 2.77Å; A41-C56 HydrophobicContact CB-CB 4.28Å
42D94.1Very high95.8Very high122 Ų12241.1 Ų41.165%0.65225%0.247SC*.Hα-helixtrans-62.8-43.5174.8-71.3-20.6000111.2H38 W40 T45 A46H38-D42 PolarHBondContact O-N 3.24Å; W40-D42 VanDerWaalsContact C-N 3.33Å; W40-D42 PolarHBondContact O-N 3.14Å; D42-T45 WeakPolarHBondContact O-CB 3.45Å; D42-T45 PolarHBondContact O-N 2.91Å; D42-A46 PolarHBondContact O-N 2.88Å
43T95.3Very high95.9Very high41 Ų4142.2 Ų42.225%0.25225%0.25SS..Hα-helixtrans-62.7-44.4176.5-59.20000111.7G39 W40 A41 T45 A46 M218G39-T43 PolarHBondContact O-N 3.2Å; G39-T43 PolarHBondContact O-OG1 3.28Å; W40-T43 HydrophobicContact CE3-CG2 4.2Å; W40-T43 HydrophobicContact CZ3-CG2 4.16Å; W40-T43 PolarHBondContact O-N 3.24Å; A41-T43 VanDerWaalsContact C-N 3.35Å; T43-T45 VanDerWaalsContact C-N 3.31Å; T43-T45 PolarHBondContact O-N 2.87Å; T43-A46 WeakPolarHBondContact O-CB 3.17Å; T43-A46 PolarHBondContact O-N 3Å; T43-M218 HydrophobicContact CG2-CE 3.63Å; T43-M218 HydrophobicContact CG2-CG 4.11Å; T43-M218 HydrophobicContact CG2-SD 3.76Å
44M96.9Very high95.9Very high0 Ų039.9 Ų39.90%024%0.238CC..Hα-helixtrans-66.1-34.1176.9-68.2-60.1137.900111.9F29 W40 A41 A46 I47 R48 Y54 M218F29-M44 HydrophobicContact CB-CE 4.4Å; F29-M44 HydrophobicContact CD1-CE 4.02Å; F29-M44 HydrophobicContact CD2-CE 3.26Å; F29-M44 HydrophobicContact CD2-SD 4.09Å; F29-M44 HydrophobicContact CE1-CE 4.1Å; F29-M44 HydrophobicContact CE2-CE 3.33Å; F29-M44 HydrophobicContact CG-CE 3.61Å; F29-M44 HydrophobicContact CG-SD 4.37Å; F29-M44 HydrophobicContact CZ-CE 3.77Å; W40-M44 HydrophobicContact CE3-CE 3.89Å; W40-M44 HydrophobicContact CZ3-CE 4.34Å; W40-M44 WeakPolarHBondContact O-CB 3.49Å; W40-M44 WeakPolarHBondContact O-CG 3.37Å; W40-M44 PolarHBondContact O-N 2.98Å; A41-M44 PolarHBondContact O-N 3.08Å; M44-A46 VanDerWaalsContact C-N 3.27Å; M44-A46 PolarHBondContact O-N 2.94Å; M44-I47 CarbonylContact O-C 3.2Å; M44-I47 WeakPolarHBondContact O-CG1 3.42Å; M44-I47 PolarHBondContact O-N 2.89Å; M44-I47 VanDerWaalsContact O-N 3.17Å; M44-I47 HydrophobicContact SD-CD1 4.15Å; M44-R48 PolarHBondContact O-N 2.95Å; M44-Y54 HydrophobicContact CB-CD1 3.81Å; M44-Y54 HydrophobicContact CB-CG 3.97Å; M44-Y54 HydrophobicContact CG-CD1 3.98Å; M44-Y54 HydrophobicContact CG-CG 4.47Å; M44-Y54 HydrophobicContact SD-CD1 3.82Å; M44-Y54 HydrophobicContact SD-CE1 4.2Å; M44-M218 HydrophobicContact CE-CE 4.1Å
45T96.9Very high96.1Very high55 Ų5537.9 Ų37.934%0.33722%0.217SC..Hα-helixtrans-59.4-38.9175.6-62.60000111.6V17 A41 D42 T43 I47 R48V17-T45 WeakPolarHBondContact CG1-OG1 3.2Å; V17-T45 WeakPolarHBondContact CG2-OG1 3.39Å; A41-T45 WeakPolarHBondContact O-CB 3.41Å; A41-T45 PolarHBondContact O-N 3.27Å; A41-T45 PolarHBondContact O-OG1 2.77Å; D42-T45 WeakPolarHBondContact O-CB 3.45Å; D42-T45 PolarHBondContact O-N 2.91Å; T43-T45 VanDerWaalsContact C-N 3.31Å; T43-T45 PolarHBondContact O-N 2.87Å; T45-I47 VanDerWaalsContact C-N 3.25Å; T45-I47 PolarHBondContact O-N 3.05Å; T45-R48 VanDerWaalsContact O-CG 3.3Å; T45-R48 WeakPolarHBondContact O-CG 3.29Å; T45-R48 PolarHBondContact O-N 2.8Å
46A95.9Very high96.2Very high85 Ų8535 Ų3570%0.70220%0.201SC*.Hα-helixtrans-66.1-25.6179.400000113.7D42 T43 M44D42-A46 PolarHBondContact O-N 2.88Å; T43-A46 WeakPolarHBondContact O-CB 3.17Å; T43-A46 PolarHBondContact O-N 3Å; M44-A46 VanDerWaalsContact C-N 3.27Å; M44-A46 PolarHBondContact O-N 2.94Å
47I96.6Very high96.3Very high13 Ų1333.2 Ų33.27%0.06719%0.189CC..THydrogen-bonded Turntrans-112.311.5179.962.2156.7000113.6M44 T45 M218 V221 K222 I225M44-I47 CarbonylContact O-C 3.2Å; M44-I47 WeakPolarHBondContact O-CG1 3.42Å; M44-I47 PolarHBondContact O-N 2.89Å; M44-I47 VanDerWaalsContact O-N 3.17Å; M44-I47 HydrophobicContact SD-CD1 4.15Å; T45-I47 VanDerWaalsContact C-N 3.25Å; T45-I47 PolarHBondContact O-N 3.05Å; I47-M218 HydrophobicContact CD1-CE 3.47Å; I47-M218 VanDerWaalsContact CD1-CE 3.47Å; I47-M218 HydrophobicContact CG1-CE 4.14Å; I47-M218 HydrophobicContact CG2-CB 4.17Å; I47-V221 HydrophobicContact CD1-CB 4.33Å; I47-V221 HydrophobicContact CD1-CG1 3.71Å; I47-K222 HydrophobicContact CB-CB 3.99Å; I47-K222 HydrophobicContact CB-CD 4.2Å; I47-K222 HydrophobicContact CB-CG 4.18Å; I47-K222 HydrophobicContact CG2-CB 4.15Å; I47-K222 HydrophobicContact CG2-CD 4.39Å; I47-I225 HydrophobicContact CD1-CD1 4.22Å
48R96.5Very high96.5Very high115 Ų11535.1 Ų35.143%0.43420%0.197SC..  trans-61.1141.5-171.174.6-176.3-180168.9-2.4112.6M44 T45 Y54M44-R48 PolarHBondContact O-N 2.95Å; T45-R48 VanDerWaalsContact O-CG 3.3Å; T45-R48 WeakPolarHBondContact O-CG 3.29Å; T45-R48 PolarHBondContact O-N 2.8Å; R48-Y54 WeakPolarHBondContact CA-OH 3.14Å; R48-Y54 HydrophobicContact CB-CD2 4.34Å; R48-Y54 HydrophobicContact CB-CE2 3.74Å
49L98.2Very high96.7Very high11 Ų1130.2 Ų30.26%0.05818%0.176CC..  trans-98.3144168-54.7-172.8000110.7H51 V52 Y54 I225 E226L49-H51 VanDerWaalsContact C-N 3.28Å; L49-H51 PolarHBondContact O-N 3.39Å; L49-V52 HydrophobicContact CB-CB 4.08Å; L49-V52 HydrophobicContact CB-CG2 3.74Å; L49-V52 HydrophobicContact CD1-CG2 4.07Å; L49-V52 HydrophobicContact CG-CG2 4.36Å; L49-V52 PolarHBondContact O-N 2.92Å; L49-Y54 PolarHBondContact N-OH 2.93Å; L49-I225 HydrophobicContact CD1-CG2 3.73Å; L49-I225 HydrophobicContact CG-CG2 4.31Å; L49-E226 HydrophobicContact CD1-CB 4.22Å; L49-E226 HydrophobicContact CD1-CG 3.52Å; L49-E226 HydrophobicContact CD2-CG 3.44Å; L49-E226 VanDerWaalsContact CD2-CG 3.44Å; L49-E226 WeakPolarHBondContact CD2-OE1 3.48Å; L49-E226 HydrophobicContact CG-CG 4.09Å
50P98.1Very high97.2Very high51 Ų5131.5 Ų31.533%0.33118%0.178SC..THydrogen-bonded Turntrans-56.6-35.4-173.9-28.636.3000115.2G19 T20 E21G19-P50 CarbonylContact C-O 3.59Å; G19-P50 VanDerWaalsContact CA-O 3.22Å; G19-P50 WeakPolarHBondContact CA-O 3.38Å; T20-P50 PolarHBondContact N-O 3.32Å; T20-P50 WeakPolarHBondContact OG1-CA 3.42Å; T20-P50 WeakPolarHBondContact OG1-CB 3.41Å; E21-P50 HydrophobicContact CB-CB 4.34Å; E21-P50 HydrophobicContact CG-CB 3.8Å; E21-P50 PolarHBondContact N-O 2.65Å
51H98.4Very high97.3Very high13 Ų1338.7 Ų38.76%0.0621%0.205CC..THydrogen-bonded Turntrans-101.27.1-175.561.5-82.5000113.9E23 T24 A25 L49 R115 L229E23-H51 WeakPolarHBondContact CA-O 3.47Å; T24-H51 PolarHBondContact N-O 3.34Å; A25-H51 PolarHBondContact N-O 2.94Å; L49-H51 VanDerWaalsContact C-N 3.28Å; L49-H51 PolarHBondContact O-N 3.39Å; H51-R115 PolarHBondContact CD2-NH2 2.92Å; H51-L229 PolarHBondContact NE2-O 3.18Å
52V98.7Very high97.3Very high0 Ų040.7 Ų40.70%022%0.215CC..EExtended strand (participates in β ladder)trans-114.1131.5-179.7-176.50000109A25 V27 L49 Y54 L229A25-V52 HydrophobicContact CB-CG1 4.44Å; A25-V52 HydrophobicContact CB-CG2 3.97Å; A25-V52 WeakPolarHBondContact O-CA 3.37Å; V27-V52 HydrophobicContact CG2-CG1 3.77Å; L49-V52 HydrophobicContact CB-CB 4.08Å; L49-V52 HydrophobicContact CB-CG2 3.74Å; L49-V52 HydrophobicContact CD1-CG2 4.07Å; L49-V52 HydrophobicContact CG-CG2 4.36Å; L49-V52 PolarHBondContact O-N 2.92Å; V52-Y54 HydrophobicContact CB-CE2 3.99Å; V52-Y54 HydrophobicContact CG1-CD2 4.44Å; V52-Y54 HydrophobicContact CG1-CE1 4.33Å; V52-Y54 HydrophobicContact CG1-CE2 3.87Å; V52-Y54 WeakPolarHBondContact O-CE2 3.41Å; V52-L229 HydrophobicContact CG1-CD1 4.37Å; V52-L229 HydrophobicContact CG2-CB 4.36Å
53K98.1Very high97.5Very high29 Ų2938.4 Ų38.413%0.12621%0.207CC..EExtended strand (participates in β ladder)trans-98.5146.7169.276.2-170.2-165.4172.10111.2V17 E23 A25 A26 V27 E106 I111V17-K53 WeakPolarHBondContact O-CA 3.26Å; E23-K53 HydrophobicContact CB-CD 4.31Å; E23-K53 VanDerWaalsContact CD-CB 3.49Å; E23-K53 HydrophobicContact CG-CB 4.04Å; E23-K53 HydrophobicContact CG-CD 4.39Å; E23-K53 VanDerWaalsContact OE1-CB 3.29Å; E23-K53 WeakPolarHBondContact OE1-CB 3.31Å; E23-K53 WeakPolarHBondContact OE2-CD 3.46Å; E23-K53 IonicContact OE2-NZ 3.65Å; A25-K53 PolarHBondContact O-N 2.91Å; A26-K53 CarbonylContact C-O 3.55Å; A26-K53 VanDerWaalsContact CA-O 3.31Å; A26-K53 WeakPolarHBondContact CA-O 3.39Å; A26-K53 HydrophobicContact CB-CG 3.86Å; V27-K53 PolarHBondContact N-O 3.39Å; K53-E106 WeakPolarHBondContact CE-OE2 3.44Å; K53-E106 IonicContact NZ-OE1 3.27Å; K53-E106 IonicContact NZ-OE2 2.91Å; K53-E106 PolarHBondContact NZ-OE2 3.21Å; K53-I111 HydrophobicContact CD-CD1 3.92Å; K53-I111 HydrophobicContact CG-CD1 4.46Å
54Y98.6Very high97.7Very high0 Ų036.4 Ų36.40%020%0.195CC..EExtended strand (participates in β ladder)trans-118.4116.1-178.8-55.1-106.1000109.1T16 V17 V27 M44 R48 L49 V52 I225T16-Y54 CarbonylContact C-O 3.59Å; T16-Y54 WeakPolarHBondContact CA-O 3.36Å; V17-Y54 HydrophobicContact CB-CD2 4.43Å; V17-Y54 PolarHBondContact N-O 2.9Å; V17-Y54 PolarHBondContact O-N 3.32Å; V27-Y54 HydrophobicContact CB-CD1 3.64Å; V27-Y54 HydrophobicContact CB-CE1 4.02Å; V27-Y54 HydrophobicContact CB-CG 4.36Å; V27-Y54 HydrophobicContact CG1-CD1 3.99Å; V27-Y54 HydrophobicContact CG1-CE1 4.42Å; V27-Y54 HydrophobicContact CG2-CD1 4.04Å; V27-Y54 HydrophobicContact CG2-CE1 3.86Å; V27-Y54 CarbonylContact O-C 3.54Å; V27-Y54 VanDerWaalsContact O-CA 3.32Å; V27-Y54 WeakPolarHBondContact O-CA 3.39Å; M44-Y54 HydrophobicContact CB-CD1 3.81Å; M44-Y54 HydrophobicContact CB-CG 3.97Å; M44-Y54 HydrophobicContact CG-CD1 3.98Å; M44-Y54 HydrophobicContact CG-CG 4.47Å; M44-Y54 HydrophobicContact SD-CD1 3.82Å; M44-Y54 HydrophobicContact SD-CE1 4.2Å; R48-Y54 WeakPolarHBondContact CA-OH 3.14Å; R48-Y54 HydrophobicContact CB-CD2 4.34Å; R48-Y54 HydrophobicContact CB-CE2 3.74Å; L49-Y54 PolarHBondContact N-OH 2.93Å; V52-Y54 HydrophobicContact CB-CE2 3.99Å; V52-Y54 HydrophobicContact CG1-CD2 4.44Å; V52-Y54 HydrophobicContact CG1-CE1 4.33Å; V52-Y54 HydrophobicContact CG1-CE2 3.87Å; V52-Y54 WeakPolarHBondContact O-CE2 3.41Å; Y54-I225 HydrophobicContact CE1-CD1 4.19Å
55I98.6Very high97.8Very high1 Ų139.1 Ų39.11%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-103.3114.7-178.9-56.8165.3000107.4L11 A14 T16 V27 I28 F29 P57 I102 E106L11-I55 HydrophobicContact CD2-CD1 4.21Å; L11-I55 HydrophobicContact CD2-CG2 3.59Å; A14-I55 HydrophobicContact CB-CG2 3.88Å; T16-I55 HydrophobicContact CG2-CG1 4.36Å; V27-I55 PolarHBondContact O-N 2.95Å; I28-I55 CarbonylContact C-O 3.6Å; I28-I55 WeakPolarHBondContact CA-O 3.35Å; I28-I55 HydrophobicContact CG1-CB 4.41Å; I28-I55 HydrophobicContact CG1-CD1 4.18Å; F29-I55 PolarHBondContact N-O 3.14Å; I55-P57 VanDerWaalsContact O-CD 3.23Å; I55-P57 WeakPolarHBondContact O-CD 3.4Å; I55-I102 HydrophobicContact CD1-CG2 4.36Å; I55-E106 HydrophobicContact CD1-CG 3.95Å
56C98.5Very high97.8Very high0 Ų039.6 Ų39.60%021%0.212CC..EExtended strand (participates in β ladder)trans-112.284.9178.6-570000108.9V15 G37 A41V15-C56 HydrophobicContact CB-CB 4.47Å; V15-C56 PolarHBondContact N-O 2.74Å; V15-C56 WeakPolarHBondContact O-CB 3.46Å; V15-C56 PolarHBondContact O-N 3.15Å; G37-C56 VanDerWaalsContact O-CB 3.3Å; G37-C56 WeakPolarHBondContact O-CB 3.22Å; A41-C56 HydrophobicContact CB-CB 4.28Å
57P98Very high97.8Very high0 Ų038.3 Ų38.30%019%0.193CC..PPolyproline II helixtrans-67.4154.8-17927.5-32.9000112L10 A14 I28 L30 H31 I55 W75 I102L10-P57 HydrophobicContact CB-CB 4.35Å; A14-P57 HydrophobicContact CB-CB 4.22Å; I28-P57 HydrophobicContact CG2-CG 4.45Å; L30-P57 HydrophobicContact CD2-CG 3.51Å; H31-P57 PolarHBondContact CD2-O 2.93Å; H31-P57 VanDerWaalsContact CD2-O 3.3Å; I55-P57 VanDerWaalsContact O-CD 3.23Å; I55-P57 WeakPolarHBondContact O-CD 3.4Å; P57-W75 HydrophobicContact CB-CH2 4.01Å; P57-W75 HydrophobicContact CG-CH2 3.76Å; P57-W75 HydrophobicContact CG-CZ2 4.46Å; P57-I102 HydrophobicContact CB-CD1 4.32Å; P57-I102 HydrophobicContact CG-CD1 4.24Å
58H97.5Very high97.8Very high40 Ų4046.6 Ų46.619%0.18523%0.234CC..PPolyproline II helixtrans-87.6129.7170.1-64.2-48.7000110.5L10 E13 G37 H38L10-H58 WeakPolarHBondContact CD2-O 3.07Å; E13-H58 PolarHBondContact O-CD2 2.78Å; E13-H58 PolarHBondContact O-NE2 3.13Å; G37-H58 PolarHBondContact N-CE1 3.46Å; G37-H58 PolarHBondContact N-ND1 2.73Å; H38-H58 AromaticContact CE1-CE1 3.57Å; H38-H58 AromaticContact CE1-NE2 3.45Å; H38-H58 PolarHBondContact CE1-NE2 2.74Å; H38-H58 AromaticContact ND1-CE1 3.32Å; H38-H58 PolarHBondContact ND1-CE1 2.64Å; H38-H58 VanDerWaalsContact ND1-CE1 3.32Å; H38-H58 AromaticContact ND1-NE2 3.7Å
59A97.6Very high97.9Very high7 Ų748.2 Ų48.26%0.05824%0.244CC..PPolyproline II helixtrans-64.8142.6169.300000110.2H31 P73 W75H31-A59 VanDerWaalsContact CE1-CB 3.49Å; H31-A59 WeakPolarHBondContact CE1-CB 3.43Å; H31-A59 PolarHBondContact NE2-N 2.91Å; A59-P73 HydrophobicContact CB-CB 4.31Å; A59-W75 HydrophobicContact CB-CD2 3.7Å; A59-W75 HydrophobicContact CB-CE3 3.95Å; A59-W75 HydrophobicContact CB-CG 4.17Å; A59-W75 HydrophobicContact CB-CH2 4.09Å; A59-W75 HydrophobicContact CB-CZ2 3.9Å; A59-W75 HydrophobicContact CB-CZ3 4.14Å
60P96.3Very high97.8Very high61 Ų6153.5 Ų53.540%0.39627%0.27SS..PPolyproline II helixtrans-62.4155.1173.428.6-34.8000110.7I62 P73 S74P60-I62 HydrophobicContact CB-CG2 4.47Å; P60-I62 HydrophobicContact CG-CG2 4.46Å; P60-I62 PolarHBondContact O-N 2.82Å; P60-P73 WeakPolarHBondContact O-CA 3.49Å; P60-S74 PolarHBondContact O-N 3.11Å
61R97.4Very high97.9Very high165 Ų16554.4 Ų54.462%0.62328%0.275SS*.EExtended strand (participates in β ladder)trans-84114.9173.4-61-175.368.2885.5109.6T71 M72 P73R61-T71 HydrophobicContact CB-CG2 3.94Å; R61-T71 PolarHBondContact NH2-O 2.62Å; R61-M72 WeakPolarHBondContact CA-O 3.32Å; R61-P73 HydrophobicContact CG-CG 4.46Å
62I98.1Very high97.8Very high45 Ų4555.1 Ų55.123%0.23128%0.278CS..EExtended strand (participates in β ladder)trans-132.1157.3179.462.8172.7000110.7P60 T71 M72P60-I62 HydrophobicContact CB-CG2 4.47Å; P60-I62 HydrophobicContact CG-CG2 4.46Å; P60-I62 PolarHBondContact O-N 2.82Å; I62-T71 WeakPolarHBondContact O-CA 3.23Å; I62-M72 PolarHBondContact N-O 3.36Å; I62-M72 PolarHBondContact O-N 3.03Å
63P98.3Very high97.8Very high74 Ų7456.2 Ų56.248%0.48129%0.285SS..EExtended strand (participates in β ladder)trans-63.5133.7168.9-19.332.6000111K69P63-K69 HydrophobicContact CB-CB 4.28Å
64V98.6Very high97.8Very high0 Ų054.8 Ų54.80%028%0.279CS..EExtended strand (participates in β ladder)trans-114.7116.9179.7178.20000110.6L33 L66 N67 K69 M70 M72 D77 L78L33-V64 HydrophobicContact CD1-CG1 4.34Å; L33-V64 HydrophobicContact CD1-CG2 3.99Å; L33-V64 HydrophobicContact CD2-CG1 4.44Å; V64-L66 HydrophobicContact CG1-CB 4.23Å; V64-L66 PolarHBondContact O-N 3.45Å; V64-N67 HydrophobicContact CB-CB 4.42Å; V64-N67 HydrophobicContact CG1-CB 4.39Å; V64-N67 CarbonylContact O-C 3.53Å; V64-N67 PolarHBondContact O-N 3.13Å; V64-K69 WeakPolarHBondContact O-CA 3.44Å; V64-K69 PolarHBondContact O-N 3.11Å; V64-M70 PolarHBondContact N-O 2.98Å; V64-M72 HydrophobicContact CB-CG 4.39Å; V64-M72 HydrophobicContact CG2-CG 3.74Å; V64-M72 HydrophobicContact CG2-SD 4.38Å; V64-D77 WeakPolarHBondContact CA-OD1 3.37Å; V64-L78 HydrophobicContact CG1-CB 4.13Å
65T98.3Very high97.8Very high57 Ų5755.4 Ų55.435%0.3528%0.281SS..G310 helixtrans-58.9-44.3-174.5-69.70000112.2N67 M68 D77 M79T65-N67 PolarHBondContact O-N 3.2Å; T65-N67 VanDerWaalsContact O-N 3.15Å; T65-M68 PolarHBondContact O-N 2.94Å; T65-M68 VanDerWaalsContact O-N 3.15Å; T65-D77 WeakPolarHBondContact CB-OD1 3.41Å; T65-D77 WeakPolarHBondContact CB-OD2 3.46Å; T65-D77 PolarHBondContact N-OD1 3.45Å; T65-D77 PolarHBondContact OG1-OD1 3.06Å; T65-D77 PolarHBondContact OG1-OD2 3.13Å; T65-M79 HydrophobicContact CG2-CB 4.27Å; T65-M79 HydrophobicContact CG2-CG 4.1Å
66L96.9Very high97.8Very high65 Ų6555.5 Ų55.534%0.3428%0.282SS..G310 helixtrans-54.9-33176.3-178.966.8000112.3V64 L78 L81V64-L66 HydrophobicContact CG1-CB 4.23Å; V64-L66 PolarHBondContact O-N 3.45Å; L66-L78 WeakPolarHBondContact CB-O 3.46Å; L66-L78 HydrophobicContact CD2-CD2 3.75Å; L66-L78 HydrophobicContact CD2-CG 4.12Å; L66-L78 PolarHBondContact N-O 2.95Å; L66-L81 HydrophobicContact CD2-CD1 4.08Å; L66-L81 HydrophobicContact CD2-CD2 4.08Å; L66-L81 HydrophobicContact CD2-CG 3.82Å
67N96.9Very high97.8Very high58 Ų5856.9 Ų56.931%0.3129%0.289SS..G310 helixtrans-10441.1-178.2-68.8-19.7000111.9V64 T65 K69 M70 M72V64-N67 HydrophobicContact CB-CB 4.42Å; V64-N67 HydrophobicContact CG1-CB 4.39Å; V64-N67 CarbonylContact O-C 3.53Å; V64-N67 PolarHBondContact O-N 3.13Å; T65-N67 PolarHBondContact O-N 3.2Å; T65-N67 VanDerWaalsContact O-N 3.15Å; N67-K69 PolarHBondContact O-N 3.35Å; N67-K69 VanDerWaalsContact O-N 3.17Å; N67-M70 HydrophobicContact CB-CB 4.46Å; N67-M70 VanDerWaalsContact O-CB 3.23Å; N67-M70 WeakPolarHBondContact O-CB 3.33Å; N67-M70 PolarHBondContact O-N 2.94Å; N67-M72 HydrophobicContact CB-CE 3.93Å; N67-M72 HydrophobicContact CB-SD 4.46Å; N67-M72 WeakPolarHBondContact ND2-CE 3.49Å; N67-M72 PolarHBondContact ND2-SD 3.45Å
68M97.2Very high97.8Very high186 Ų18657.6 Ų57.692%0.91629%0.293SS*.THydrogen-bonded Turntrans55.135.2177.7-55.2-178.2-179.800113.4T65 M70T65-M68 PolarHBondContact O-N 2.94Å; T65-M68 VanDerWaalsContact O-N 3.15Å; M68-M70 PolarHBondContact O-N 3.28Å
69K97.3Very high97.7Very high150 Ų15059 Ų5965%0.65230%0.3SS*.THydrogen-bonded Turntrans61.521.5-176.3-57.6-174.8176.1-176.40114.7P63 V64 N67 T71P63-K69 HydrophobicContact CB-CB 4.28Å; V64-K69 WeakPolarHBondContact O-CA 3.44Å; V64-K69 PolarHBondContact O-N 3.11Å; N67-K69 PolarHBondContact O-N 3.35Å; N67-K69 VanDerWaalsContact O-N 3.17Å; K69-T71 PolarHBondContact O-N 3.37Å
70M97.6Very high97.5Very high121 Ų12159.4 Ų59.460%0.59631%0.305SS*.EExtended strand (participates in β ladder)trans-60.5136.4170.5-174.3178.7-63.200110.3V64 N67 M68 M72V64-M70 PolarHBondContact N-O 2.98Å; N67-M70 HydrophobicContact CB-CB 4.46Å; N67-M70 VanDerWaalsContact O-CB 3.23Å; N67-M70 WeakPolarHBondContact O-CB 3.33Å; N67-M70 PolarHBondContact O-N 2.94Å; M68-M70 PolarHBondContact O-N 3.28Å; M70-M72 HydrophobicContact CB-CE 4.03Å; M70-M72 HydrophobicContact CG-CE 3.94Å; M70-M72 HydrophobicContact SD-CE 3.74Å
71T98.3Very high97.2Very high71 Ų7159.3 Ų59.344%0.43630%0.301SS..EExtended strand (participates in β ladder)trans-83.1115.4179.4-63.30000111.3R61 I62 K69R61-T71 HydrophobicContact CB-CG2 3.94Å; R61-T71 PolarHBondContact NH2-O 2.62Å; I62-T71 WeakPolarHBondContact O-CA 3.23Å; K69-T71 PolarHBondContact O-N 3.37Å
72M98.2Very high96.8Very high28 Ų2854.3 Ų54.314%0.13829%0.292CS..EExtended strand (participates in β ladder)trans-148.1165.2-178.360.8-17960.400111.4L33 R61 I62 V64 N67 M70 S74L33-M72 HydrophobicContact CD1-CG 4.34Å; L33-M72 HydrophobicContact CD1-SD 4.09Å; L33-M72 HydrophobicContact CG-SD 4.28Å; R61-M72 WeakPolarHBondContact CA-O 3.32Å; I62-M72 PolarHBondContact N-O 3.36Å; I62-M72 PolarHBondContact O-N 3.03Å; V64-M72 HydrophobicContact CB-CG 4.39Å; V64-M72 HydrophobicContact CG2-CG 3.74Å; V64-M72 HydrophobicContact CG2-SD 4.38Å; N67-M72 HydrophobicContact CB-CE 3.93Å; N67-M72 HydrophobicContact CB-SD 4.46Å; N67-M72 WeakPolarHBondContact ND2-CE 3.49Å; N67-M72 PolarHBondContact ND2-SD 3.45Å; M70-M72 HydrophobicContact CB-CE 4.03Å; M70-M72 HydrophobicContact CG-CE 3.94Å; M70-M72 HydrophobicContact SD-CE 3.74Å; M72-S74 PolarHBondContact O-N 3.49Å; M72-S74 VanDerWaalsContact O-N 3.16Å
73P98.1Very high96.1Very high22 Ų2254.4 Ų54.414%0.14330%0.295CS..EExtended strand (participates in β ladder)trans-57.5118.2174.5-24.335.2000110.9G34 D35 A59 P60 R61G34-P73 PolarHBondContact N-O 3.27Å; D35-P73 WeakPolarHBondContact O-CB 3.32Å; A59-P73 HydrophobicContact CB-CB 4.31Å; P60-P73 WeakPolarHBondContact O-CA 3.49Å; R61-P73 HydrophobicContact CG-CG 4.46Å
74S98.4Very high95.7Very high0 Ų056.7 Ų56.70%030%0.303CS..  trans-155.8141177.7-170.70000111L33 P60 M72 F76 Q123L33-S74 WeakPolarHBondContact CD1-OG 3.43Å; P60-S74 PolarHBondContact O-N 3.11Å; M72-S74 PolarHBondContact O-N 3.49Å; M72-S74 VanDerWaalsContact O-N 3.16Å; S74-F76 PolarHBondContact OG-O 3.2Å; S74-Q123 PolarHBondContact OG-NE2 3.29Å; S74-Q123 VanDerWaalsContact OG-NE2 3.07Å; S74-Q123 PolarHBondContact OG-OE1 2.88Å
75W98.6Very high95.5Very high12 Ų1257.9 Ų57.95%0.04531%0.312CS..SBendtrans-74.8-33.2-177.5-63.7107.5000112.9L10 L30 H31 P57 A59 A95 I99 Q123 L127L10-W75 HydrophobicContact CD1-CZ3 4.13Å; L10-W75 HydrophobicContact CD2-CZ3 4.49Å; L30-W75 HydrophobicContact CB-CZ2 3.98Å; L30-W75 HydrophobicContact CD2-CH2 4.02Å; L30-W75 HydrophobicContact CD2-CZ2 3.98Å; L30-W75 HydrophobicContact CG-CZ2 4.5Å; H31-W75 AromaticContact CD2-CZ2 3.85Å; H31-W75 AromaticContact NE2-CZ2 3.89Å; H31-W75 PolarHBondContact O-NE1 3.45Å; P57-W75 HydrophobicContact CB-CH2 4.01Å; P57-W75 HydrophobicContact CG-CH2 3.76Å; P57-W75 HydrophobicContact CG-CZ2 4.46Å; A59-W75 HydrophobicContact CB-CD2 3.7Å; A59-W75 HydrophobicContact CB-CE3 3.95Å; A59-W75 HydrophobicContact CB-CG 4.17Å; A59-W75 HydrophobicContact CB-CH2 4.09Å; A59-W75 HydrophobicContact CB-CZ2 3.9Å; A59-W75 HydrophobicContact CB-CZ3 4.14Å; W75-A95 WeakPolarHBondContact O-CB 3.41Å; W75-I99 HydrophobicContact CZ3-CD1 4.23Å; W75-Q123 HydrophobicContact CB-CG 4.5Å; W75-L127 HydrophobicContact CB-CD2 3.75Å; W75-L127 HydrophobicContact CD2-CD2 3.91Å; W75-L127 HydrophobicContact CE3-CD2 3.99Å; W75-L127 HydrophobicContact CG-CD2 3.81Å
76F98.6Very high95.4Very high4 Ų459.7 Ų59.72%0.01832%0.324CS..SBendtrans-158.8161.3-179.653.1-96.9000108.8S74 L78 I92 Q123 L127 W148S74-F76 PolarHBondContact OG-O 3.2Å; F76-L78 HydrophobicContact CE2-CD1 4.44Å; F76-L78 PolarHBondContact O-N 3.14Å; F76-I92 HydrophobicContact CB-CG1 4.03Å; F76-I92 HydrophobicContact CD1-CG1 3.79Å; F76-I92 HydrophobicContact CD2-CD1 4.14Å; F76-I92 HydrophobicContact CD2-CG1 3.55Å; F76-I92 HydrophobicContact CE1-CG1 4.07Å; F76-I92 HydrophobicContact CE2-CD1 4.16Å; F76-I92 HydrophobicContact CE2-CG1 3.85Å; F76-I92 HydrophobicContact CG-CG1 3.52Å; F76-I92 HydrophobicContact CZ-CG1 4.09Å; F76-Q123 HydrophobicContact CD1-CG 4.27Å; F76-Q123 HydrophobicContact CE1-CG 3.6Å; F76-Q123 HydrophobicContact CE2-CG 4.04Å; F76-Q123 HydrophobicContact CZ-CG 3.47Å; F76-Q123 VanDerWaalsContact CZ-CG 3.47Å; F76-Q123 PolarHBondContact O-NE2 3.02Å; F76-L127 HydrophobicContact CE1-CB 4.21Å; F76-W148 HydrophobicContact CE2-CZ2 4.4Å; F76-W148 HydrophobicContact CZ-CZ2 4.22Å
77D98.4Very high95.4Very high29 Ų2959.3 Ų59.316%0.15532%0.321CS..  trans-66.4135.2-178.9-172.121.8000111.2V64 T65 D88V64-D77 WeakPolarHBondContact CA-OD1 3.37Å; T65-D77 WeakPolarHBondContact CB-OD1 3.41Å; T65-D77 WeakPolarHBondContact CB-OD2 3.46Å; T65-D77 PolarHBondContact N-OD1 3.45Å; T65-D77 PolarHBondContact OG1-OD1 3.06Å; T65-D77 PolarHBondContact OG1-OD2 3.13Å; D77-D88 HydrophobicContact CB-CB 3.93Å; D77-D88 WeakPolarHBondContact CB-OD2 3.38Å; D77-D88 PolarHBondContact N-OD2 3.39Å; D77-D88 VanDerWaalsContact O-CB 3.32Å; D77-D88 WeakPolarHBondContact O-CB 3.35Å
78L96.5Very high95.5Very high14 Ų1458.3 Ų58.37%0.07332%0.315CS..BIsolated β-bridgetrans-111.2120.1178.1-165.865.2000107.9L33 V64 L66 F76 L81 W148L33-L78 HydrophobicContact CD2-CD2 3.99Å; V64-L78 HydrophobicContact CG1-CB 4.13Å; L66-L78 WeakPolarHBondContact CB-O 3.46Å; L66-L78 HydrophobicContact CD2-CD2 3.75Å; L66-L78 HydrophobicContact CD2-CG 4.12Å; L66-L78 PolarHBondContact N-O 2.95Å; F76-L78 HydrophobicContact CE2-CD1 4.44Å; F76-L78 PolarHBondContact O-N 3.14Å; L78-L81 HydrophobicContact CD2-CD2 3.8Å; L78-L81 HydrophobicContact CG-CD2 4.45Å; L78-W148 HydrophobicContact CD1-CH2 4.02Å; L78-W148 HydrophobicContact CD1-CZ2 3.87Å
79M95.8Very high95.6Very high69 Ų6954.2 Ų54.234%0.3429%0.294SS..  trans-106.2-16.1-174.9-57170.8-13900112.8T65 P86 D88T65-M79 HydrophobicContact CG2-CB 4.27Å; T65-M79 HydrophobicContact CG2-CG 4.1Å; M79-P86 HydrophobicContact SD-CB 3.88Å; M79-D88 HydrophobicContact CE-CB 3.64Å
80G93.2Very high95.6Very high16 Ų1650 Ų5017%0.16529%0.287CS..  trans-171.8168.3-179.300000112.1S85G80-S85 WeakPolarHBondContact CA-OG 3.47Å
81L90.1Very high95.7Very high60 Ų6044.8 Ų44.831%0.31426%0.264SS..SBendtrans-120.533179-61.7177000110.8L66 L78 M179 I180 F184L66-L81 HydrophobicContact CD2-CD1 4.08Å; L66-L81 HydrophobicContact CD2-CD2 4.08Å; L66-L81 HydrophobicContact CD2-CG 3.82Å; L78-L81 HydrophobicContact CD2-CD2 3.8Å; L78-L81 HydrophobicContact CG-CD2 4.45Å; L81-M179 HydrophobicContact CD1-CE 4Å; L81-I180 HydrophobicContact CD2-CD1 3.92Å; L81-F184 WeakPolarHBondContact O-CE2 3.24Å
82S89.8Confident95.7Very high60 Ų6041.4 Ų41.442%0.4224%0.243SC..SBendtrans-118.9157.7172.678.10000110.6D84 S85S82-D84 PolarHBondContact O-N 3.07Å; S82-D84 VanDerWaalsContact O-N 3.14Å; S82-S85 PolarHBondContact N-OG 3.39Å; S82-S85 VanDerWaalsContact N-OG 3.13Å; S82-S85 VanDerWaalsContact O-CB 3.28Å; S82-S85 WeakPolarHBondContact O-CB 3.38Å; S82-S85 PolarHBondContact O-N 3.06Å; S82-S85 PolarHBondContact O-OG 3.38Å; S82-S85 PolarHBondContact OG-N 3.34Å; S82-S85 PolarHBondContact OG-OG 2.69Å
83P83.1Confident95.7Very high46 Ų4644.4 Ų44.430%0.29926%0.255SS..THydrogen-bonded Turntrans-65.7-20.1-176.3-20.536.2000113.4F184 M187P83-F184 HydrophobicContact CG-CD1 3.8Å; P83-F184 HydrophobicContact CG-CD2 4.47Å; P83-F184 HydrophobicContact CG-CE1 3.34Å; P83-F184 HydrophobicContact CG-CE2 4.07Å; P83-F184 HydrophobicContact CG-CG 4.38Å; P83-F184 HydrophobicContact CG-CZ 3.53Å; P83-M187 HydrophobicContact CB-CE 4.3Å; P83-M187 HydrophobicContact CG-CE 4.5Å
84D89.6Confident95.7Very high122 Ų12251.5 Ų51.565%0.65228%0.279SS*.THydrogen-bonded Turntrans-1056.6178.4-66.4-53.5000113S82 K153S82-D84 PolarHBondContact O-N 3.07Å; S82-D84 VanDerWaalsContact O-N 3.14Å; D84-K153 IonicContact OD1-NZ 3.96Å; D84-K153 PolarHBondContact OD1-NZ 3.32Å
85S93.9Very high95.7Very high26 Ų2651.8 Ų51.818%0.18228%0.282CS..SBendtrans-62141171.8-67.30000110G80 S82G80-S85 WeakPolarHBondContact CA-OG 3.47Å; S82-S85 PolarHBondContact N-OG 3.39Å; S82-S85 VanDerWaalsContact N-OG 3.13Å; S82-S85 VanDerWaalsContact O-CB 3.28Å; S82-S85 WeakPolarHBondContact O-CB 3.38Å; S82-S85 PolarHBondContact O-N 3.06Å; S82-S85 PolarHBondContact O-OG 3.38Å; S82-S85 PolarHBondContact OG-N 3.34Å; S82-S85 PolarHBondContact OG-OG 2.69Å
86P96.7Very high95.7Very high94 Ų9451.2 Ų51.261%0.6128%0.28SS*.  trans-56.6143169-23.434000111.2M79M79-P86 HydrophobicContact SD-CB 3.88Å
87E97.9Very high95.7Very high57 Ų5756 Ų5627%0.26630%0.302SS..BIsolated β-bridgetrans-118.2147.2178.6-67.3-173.1105.500110.8E89 I92 W148 P150 L151E87-E89 VanDerWaalsContact C-N 3.28Å; E87-E89 PolarHBondContact O-N 2.98Å; E87-I92 HydrophobicContact CB-CD1 4.03Å; E87-W148 PolarHBondContact OE1-NE1 2.86Å; E87-P150 WeakPolarHBondContact OE1-CA 3.28Å; E87-P150 VanDerWaalsContact OE1-CB 3.25Å; E87-P150 WeakPolarHBondContact OE1-CB 3.32Å; E87-L151 HydrophobicContact CB-CD2 3.92Å; E87-L151 VanDerWaalsContact OE2-CA 3.31Å; E87-L151 WeakPolarHBondContact OE2-CA 3Å; E87-L151 PolarHBondContact OE2-N 2.79Å
88D98.1Very high95.7Very high38 Ų3858.2 Ų58.220%0.20331%0.314CS..  trans-77.775.3177.2179.512.7000110.7D77 M79 A90 G91 I92D77-D88 HydrophobicContact CB-CB 3.93Å; D77-D88 WeakPolarHBondContact CB-OD2 3.38Å; D77-D88 PolarHBondContact N-OD2 3.39Å; D77-D88 VanDerWaalsContact O-CB 3.32Å; D77-D88 WeakPolarHBondContact O-CB 3.35Å; M79-D88 HydrophobicContact CE-CB 3.64Å; D88-A90 PolarHBondContact O-N 3.38Å; D88-G91 PolarHBondContact O-N 3.36Å; D88-G91 VanDerWaalsContact O-N 3.15Å; D88-G91 PolarHBondContact OD1-N 2.99Å; D88-G91 VanDerWaalsContact OD2-CA 3.28Å; D88-G91 WeakPolarHBondContact OD2-CA 3.35Å; D88-I92 WeakPolarHBondContact O-CB 3.36Å; D88-I92 WeakPolarHBondContact O-CD1 3.4Å; D88-I92 VanDerWaalsContact O-CG1 3.24Å; D88-I92 WeakPolarHBondContact O-CG1 3.41Å; D88-I92 PolarHBondContact O-N 2.87Å
89E98.4Very high95.7Very high100 Ų10057.6 Ų57.647%0.46731%0.311SS..Hα-helixtrans-53.6-41.8-177176.6174175.300112.5E87 K93 L151E87-E89 VanDerWaalsContact C-N 3.28Å; E87-E89 PolarHBondContact O-N 2.98Å; E89-K93 HydrophobicContact CG-CD 4.08Å; E89-K93 WeakPolarHBondContact O-CB 3.28Å; E89-K93 WeakPolarHBondContact O-CG 3.41Å; E89-K93 PolarHBondContact O-N 3.37Å; E89-K93 WeakPolarHBondContact OE1-CE 3.46Å; E89-K93 IonicContact OE1-NZ 2.62Å; E89-K93 PolarHBondContact OE1-NZ 2.73Å; E89-L151 HydrophobicContact CB-CD1 4.2Å; E89-L151 HydrophobicContact CB-CD2 3.94Å; E89-L151 HydrophobicContact CG-CD1 3.82Å; E89-L151 HydrophobicContact CG-CD2 4.29Å
90A98.5Very high95.8Very high62 Ų6255.7 Ų55.751%0.51230%0.3SS..Hα-helixtrans-68.8-41.4-179.400000111.9D88 R94D88-A90 PolarHBondContact O-N 3.38Å; A90-R94 VanDerWaalsContact O-CB 3.3Å; A90-R94 WeakPolarHBondContact O-CB 3.44Å; A90-R94 PolarHBondContact O-N 2.78Å
91G98.6Very high96Very high10 Ų1056.7 Ų56.710%0.10331%0.307CS..Hα-helixtrans-67.8-43.9175.400000112.7D88 K93 R94 A95D88-G91 PolarHBondContact O-N 3.36Å; D88-G91 VanDerWaalsContact O-N 3.15Å; D88-G91 PolarHBondContact OD1-N 2.99Å; D88-G91 VanDerWaalsContact OD2-CA 3.28Å; D88-G91 WeakPolarHBondContact OD2-CA 3.35Å; G91-K93 PolarHBondContact O-N 2.69Å; G91-R94 PolarHBondContact O-N 3.29Å; G91-A95 VanDerWaalsContact O-CB 3.29Å; G91-A95 WeakPolarHBondContact O-CB 3.37Å; G91-A95 PolarHBondContact O-N 2.89Å
92I98.8Very high96.4Very high0 Ų053.8 Ų53.80%029%0.292CS..Hα-helixtrans-58-49176.5-68.9158.7000110.4F76 E87 D88 A95 A96 Y130 P150 L151F76-I92 HydrophobicContact CB-CG1 4.03Å; F76-I92 HydrophobicContact CD1-CG1 3.79Å; F76-I92 HydrophobicContact CD2-CD1 4.14Å; F76-I92 HydrophobicContact CD2-CG1 3.55Å; F76-I92 HydrophobicContact CE1-CG1 4.07Å; F76-I92 HydrophobicContact CE2-CD1 4.16Å; F76-I92 HydrophobicContact CE2-CG1 3.85Å; F76-I92 HydrophobicContact CG-CG1 3.52Å; F76-I92 HydrophobicContact CZ-CG1 4.09Å; E87-I92 HydrophobicContact CB-CD1 4.03Å; D88-I92 WeakPolarHBondContact O-CB 3.36Å; D88-I92 WeakPolarHBondContact O-CD1 3.4Å; D88-I92 VanDerWaalsContact O-CG1 3.24Å; D88-I92 WeakPolarHBondContact O-CG1 3.41Å; D88-I92 PolarHBondContact O-N 2.87Å; I92-A95 PolarHBondContact O-N 2.86Å; I92-A96 WeakPolarHBondContact O-CB 3.25Å; I92-A96 PolarHBondContact O-N 2.83Å; I92-Y130 HydrophobicContact CG2-CD1 3.72Å; I92-Y130 HydrophobicContact CG2-CD2 4.14Å; I92-Y130 HydrophobicContact CG2-CE1 3.9Å; I92-Y130 HydrophobicContact CG2-CE2 4.32Å; I92-Y130 HydrophobicContact CG2-CG 3.85Å; I92-P150 HydrophobicContact CD1-CB 3.99Å; I92-P150 HydrophobicContact CG2-CG 4.33Å; I92-L151 HydrophobicContact CB-CD1 4.4Å; I92-L151 HydrophobicContact CD1-CD1 4.36Å; I92-L151 HydrophobicContact CD1-CD2 4.16Å; I92-L151 HydrophobicContact CD1-CG 4.02Å; I92-L151 HydrophobicContact CG2-CD1 4.11Å
93K98.6Very high96.8Very high91 Ų9151 Ų5140%0.39627%0.272SS..Hα-helixtrans-60.8-46.4177.2-77.6174.4174.4176.60111.8E89 G91 A95 A96 E97 Y130E89-K93 HydrophobicContact CG-CD 4.08Å; E89-K93 WeakPolarHBondContact O-CB 3.28Å; E89-K93 WeakPolarHBondContact O-CG 3.41Å; E89-K93 PolarHBondContact O-N 3.37Å; E89-K93 WeakPolarHBondContact OE1-CE 3.46Å; E89-K93 IonicContact OE1-NZ 2.62Å; E89-K93 PolarHBondContact OE1-NZ 2.73Å; G91-K93 PolarHBondContact O-N 2.69Å; K93-A95 PolarHBondContact O-N 2.56Å; K93-A96 PolarHBondContact O-N 3.5Å; K93-E97 WeakPolarHBondContact O-CG 3.11Å; K93-E97 PolarHBondContact O-N 3.02Å; K93-Y130 WeakPolarHBondContact CE-OH 3.37Å; K93-Y130 HydrophobicContact CG-CE1 4.34Å; K93-Y130 VanDerWaalsContact CG-OH 3.28Å; K93-Y130 WeakPolarHBondContact CG-OH 3.48Å
94R98.5Very high97.5Very high171 Ų17152.5 Ų52.565%0.64528%0.278SS*.Hα-helixtrans-61.9-44.1178.5-171.3-172.4-47-1613.7112.1A90 G91 A96 E97 N98A90-R94 VanDerWaalsContact O-CB 3.3Å; A90-R94 WeakPolarHBondContact O-CB 3.44Å; A90-R94 PolarHBondContact O-N 2.78Å; G91-R94 PolarHBondContact O-N 3.29Å; R94-A96 VanDerWaalsContact C-N 3.32Å; R94-A96 PolarHBondContact O-N 3.36Å; R94-E97 PolarHBondContact O-N 2.95Å; R94-N98 PolarHBondContact O-N 3.09Å; R94-N98 VanDerWaalsContact O-N 3.08Å; R94-N98 PolarHBondContact O-ND2 3.17Å
95A98.5Very high97.8Very high6 Ų647.4 Ų47.45%0.0525%0.25CC..Hα-helixtrans-62.9-41.7177.300000110.8W75 G91 I92 K93 E97 N98 I99 L127W75-A95 WeakPolarHBondContact O-CB 3.41Å; G91-A95 VanDerWaalsContact O-CB 3.29Å; G91-A95 WeakPolarHBondContact O-CB 3.37Å; G91-A95 PolarHBondContact O-N 2.89Å; I92-A95 PolarHBondContact O-N 2.86Å; K93-A95 PolarHBondContact O-N 2.56Å; A95-E97 PolarHBondContact O-N 3.14Å; A95-N98 WeakPolarHBondContact O-CB 3.33Å; A95-N98 PolarHBondContact O-N 3.26Å; A95-N98 VanDerWaalsContact O-N 3.14Å; A95-I99 WeakPolarHBondContact O-CG1 3.11Å; A95-I99 PolarHBondContact O-N 2.86Å; A95-L127 HydrophobicContact CB-CD1 3.83Å; A95-L127 HydrophobicContact CB-CD2 3.7Å; A95-L127 HydrophobicContact CB-CG 4.47Å
96A98.6Very high98Very high0 Ų046.3 Ų46.30%024%0.242CC..Hα-helixtrans-62-4217700000112.2I92 K93 R94 N98 I99 K100 L127 Y130 T131I92-A96 WeakPolarHBondContact O-CB 3.25Å; I92-A96 PolarHBondContact O-N 2.83Å; K93-A96 PolarHBondContact O-N 3.5Å; R94-A96 VanDerWaalsContact C-N 3.32Å; R94-A96 PolarHBondContact O-N 3.36Å; A96-N98 VanDerWaalsContact C-N 3.31Å; A96-N98 PolarHBondContact O-N 3.37Å; A96-I99 PolarHBondContact O-N 3.3Å; A96-K100 WeakPolarHBondContact O-CG 3.34Å; A96-K100 PolarHBondContact O-N 2.93Å; A96-L127 HydrophobicContact CB-CD1 4.14Å; A96-Y130 HydrophobicContact CB-CD1 3.72Å; A96-Y130 HydrophobicContact CB-CE1 3.86Å; A96-T131 WeakPolarHBondContact CA-OG1 3.35Å; A96-T131 HydrophobicContact CB-CG2 4.46Å; A96-T131 WeakPolarHBondContact CB-OG1 2.83Å
97E97.9Very high98.1Very high106 Ų10644.3 Ų44.350%0.49523%0.228SC..Hα-helixtrans-62.9-37.3174.1-65.6-49.5123.900112.1K93 R94 A95 I99 K100 A101K93-E97 WeakPolarHBondContact O-CG 3.11Å; K93-E97 PolarHBondContact O-N 3.02Å; R94-E97 PolarHBondContact O-N 2.95Å; A95-E97 PolarHBondContact O-N 3.14Å; E97-I99 VanDerWaalsContact C-N 3.33Å; E97-I99 PolarHBondContact O-N 3.44Å; E97-K100 PolarHBondContact O-N 2.87Å; E97-K100 WeakPolarHBondContact OE1-CD 3.34Å; E97-K100 IonicContact OE1-NZ 2.74Å; E97-K100 PolarHBondContact OE1-NZ 3.17Å; E97-A101 PolarHBondContact O-N 2.91Å
98N97.5Very high98Very high75 Ų7550.3 Ų50.340%0.40125%0.253SS..Hα-helixtrans-63.6-38.9174.1-65.6-27.7000112L10 R94 A95 A96 A101 I102L10-N98 HydrophobicContact CD1-CB 3.66Å; R94-N98 PolarHBondContact O-N 3.09Å; R94-N98 VanDerWaalsContact O-N 3.08Å; R94-N98 PolarHBondContact O-ND2 3.17Å; A95-N98 WeakPolarHBondContact O-CB 3.33Å; A95-N98 PolarHBondContact O-N 3.26Å; A95-N98 VanDerWaalsContact O-N 3.14Å; A96-N98 VanDerWaalsContact C-N 3.31Å; A96-N98 PolarHBondContact O-N 3.37Å; N98-A101 WeakPolarHBondContact O-CB 3.37Å; N98-A101 PolarHBondContact O-N 3.27Å; N98-I102 PolarHBondContact O-N 2.84Å
99I98.4Very high97.9Very high0 Ų051.7 Ų51.70%026%0.261CS..Hα-helixtrans-70.6-37.4175.6-57.4-49.3000111.3L10 L30 W75 A95 A96 E97 A101 I102 I103 L118 L127 T131L10-I99 HydrophobicContact CD1-CD1 4.07Å; L30-I99 HydrophobicContact CD1-CD1 4.06Å; L30-I99 HydrophobicContact CD1-CG1 3.93Å; L30-I99 HydrophobicContact CD2-CD1 3.69Å; L30-I99 HydrophobicContact CD2-CG1 4.43Å; W75-I99 HydrophobicContact CZ3-CD1 4.23Å; A95-I99 WeakPolarHBondContact O-CG1 3.11Å; A95-I99 PolarHBondContact O-N 2.86Å; A96-I99 PolarHBondContact O-N 3.3Å; E97-I99 VanDerWaalsContact C-N 3.33Å; E97-I99 PolarHBondContact O-N 3.44Å; I99-A101 VanDerWaalsContact C-N 3.27Å; I99-A101 PolarHBondContact O-N 3.35Å; I99-I102 HydrophobicContact CD1-CD1 4.08Å; I99-I102 WeakPolarHBondContact O-CB 3.45Å; I99-I102 PolarHBondContact O-N 3.16Å; I99-I103 PolarHBondContact O-N 2.87Å; I99-L118 HydrophobicContact CG2-CD1 4.22Å; I99-L118 HydrophobicContact CG2-CD2 3.93Å; I99-L127 HydrophobicContact CG1-CD2 3.99Å; I99-L127 HydrophobicContact CG1-CG 4.36Å; I99-T131 HydrophobicContact CB-CG2 3.95Å; I99-T131 HydrophobicContact CG2-CG2 3.9Å
100K97.9Very high97.8Very high29 Ų2949.8 Ų49.813%0.12627%0.268CS..Hα-helixtrans-59.7-37.5172-70.6171.4-167.6172.40111.8A96 E97 I102 I103 D104 T131 T134A96-K100 WeakPolarHBondContact O-CG 3.34Å; A96-K100 PolarHBondContact O-N 2.93Å; E97-K100 PolarHBondContact O-N 2.87Å; E97-K100 WeakPolarHBondContact OE1-CD 3.34Å; E97-K100 IonicContact OE1-NZ 2.74Å; E97-K100 PolarHBondContact OE1-NZ 3.17Å; K100-I102 VanDerWaalsContact C-N 3.28Å; K100-I102 PolarHBondContact O-N 2.82Å; K100-I103 WeakPolarHBondContact O-CB 3.17Å; K100-I103 PolarHBondContact O-N 3.19Å; K100-I103 VanDerWaalsContact O-N 3.11Å; K100-D104 PolarHBondContact O-N 3.35Å; K100-T131 HydrophobicContact CG-CG2 3.9Å; K100-T134 PolarHBondContact NZ-O 3.24Å; K100-T134 PolarHBondContact NZ-OG1 2.95Å
101A97.3Very high97.8Very high37 Ų3747.2 Ų47.231%0.30625%0.246SC..Hα-helixtrans-63.2-33173.800000113.1V8 E97 N98 I99 H105V8-A101 HydrophobicContact CG1-CB 4.32Å; E97-A101 PolarHBondContact O-N 2.91Å; N98-A101 WeakPolarHBondContact O-CB 3.37Å; N98-A101 PolarHBondContact O-N 3.27Å; I99-A101 VanDerWaalsContact C-N 3.27Å; I99-A101 PolarHBondContact O-N 3.35Å; A101-H105 WeakPolarHBondContact O-CB 3.31Å; A101-H105 PolarHBondContact O-N 3.01Å
102I97.6Very high97.8Very high0 Ų049.6 Ų49.60%026%0.259CS..Hα-helixtrans-65.6-46.6171.1-56.1-178.6000109.9V8 L10 L11 I28 I55 P57 N98 I99 K100 D104 H105 E106V8-I102 HydrophobicContact CG1-CG1 3.87Å; L10-I102 HydrophobicContact CB-CD1 3.97Å; L10-I102 HydrophobicContact CD1-CD1 4.36Å; L11-I102 HydrophobicContact CD1-CG2 4.07Å; L11-I102 HydrophobicContact CD2-CG2 3.78Å; L11-I102 HydrophobicContact CG-CB 4.46Å; L11-I102 HydrophobicContact CG-CG1 4.09Å; L11-I102 HydrophobicContact CG-CG2 3.94Å; I28-I102 HydrophobicContact CD1-CB 4.15Å; I28-I102 HydrophobicContact CD1-CG2 3.56Å; I28-I102 HydrophobicContact CG1-CG2 4.02Å; I28-I102 HydrophobicContact CG2-CG2 4.44Å; I55-I102 HydrophobicContact CD1-CG2 4.36Å; P57-I102 HydrophobicContact CB-CD1 4.32Å; P57-I102 HydrophobicContact CG-CD1 4.24Å; N98-I102 PolarHBondContact O-N 2.84Å; I99-I102 HydrophobicContact CD1-CD1 4.08Å; I99-I102 WeakPolarHBondContact O-CB 3.45Å; I99-I102 PolarHBondContact O-N 3.16Å; K100-I102 VanDerWaalsContact C-N 3.28Å; K100-I102 PolarHBondContact O-N 2.82Å; I102-D104 VanDerWaalsContact C-N 3.35Å; I102-D104 PolarHBondContact O-N 3.3Å; I102-H105 WeakPolarHBondContact O-CB 3.4Å; I102-H105 PolarHBondContact O-N 2.85Å; I102-E106 WeakPolarHBondContact O-CG 3.49Å; I102-E106 PolarHBondContact O-N 2.88Å
103I98Very high97.8Very high0 Ų050.2 Ų50.20%026%0.264CS..Hα-helixtrans-56.4-49.9176.3-64.1161.8000110.4I28 I99 K100 H105 E106 V107 V116 L118 L139I28-I103 HydrophobicContact CD1-CG1 3.83Å; I99-I103 PolarHBondContact O-N 2.87Å; K100-I103 WeakPolarHBondContact O-CB 3.17Å; K100-I103 PolarHBondContact O-N 3.19Å; K100-I103 VanDerWaalsContact O-N 3.11Å; I103-H105 VanDerWaalsContact C-N 3.28Å; I103-H105 PolarHBondContact O-N 3.17Å; I103-E106 PolarHBondContact O-N 3.15Å; I103-V107 HydrophobicContact CG2-CG2 4.34Å; I103-V107 WeakPolarHBondContact O-CG2 3.45Å; I103-V107 PolarHBondContact O-N 3.49Å; I103-V116 HydrophobicContact CG1-CG1 4.15Å; I103-L118 HydrophobicContact CD1-CD1 4.19Å; I103-L118 HydrophobicContact CD1-CD2 4.07Å; I103-L118 HydrophobicContact CD1-CG 4.41Å; I103-L118 HydrophobicContact CG1-CD2 4.25Å; I103-L139 HydrophobicContact CD1-CD1 4.19Å; I103-L139 HydrophobicContact CD1-CD2 4.13Å; I103-L139 HydrophobicContact CG2-CD2 4.03Å
104D97.5Very high97.8Very high78 Ų7850.1 Ų50.142%0.41727%0.268SS..Hα-helixtrans-60-38.8179.8-71.6-21.4000112.4K100 I102 V107 K108 Q137K100-D104 PolarHBondContact O-N 3.35Å; I102-D104 VanDerWaalsContact C-N 3.35Å; I102-D104 PolarHBondContact O-N 3.3Å; D104-V107 PolarHBondContact O-N 3.35Å; D104-K108 VanDerWaalsContact O-CB 3.28Å; D104-K108 WeakPolarHBondContact O-CB 3.34Å; D104-K108 PolarHBondContact O-N 3.11Å; D104-Q137 PolarHBondContact OD1-NE2 3.26Å
105H97.1Very high97.8Very high15 Ų1542.9 Ų42.97%0.06924%0.241CC..Hα-helixtrans-60.8-45.7173.6177.7-90.9000111.4N5 V8 L11 A101 I102 I103 K108 N109N5-H105 PolarHBondContact OD1-CE1 3.15Å; V8-H105 HydrophobicContact CG2-CB 4.01Å; L11-H105 HydrophobicContact CD1-CB 3.82Å; L11-H105 VanDerWaalsContact CD1-CG 3.49Å; L11-H105 VanDerWaalsContact CD1-ND1 3.28Å; L11-H105 WeakPolarHBondContact CD1-ND1 3.09Å; A101-H105 WeakPolarHBondContact O-CB 3.31Å; A101-H105 PolarHBondContact O-N 3.01Å; I102-H105 WeakPolarHBondContact O-CB 3.4Å; I102-H105 PolarHBondContact O-N 2.85Å; I103-H105 VanDerWaalsContact C-N 3.28Å; I103-H105 PolarHBondContact O-N 3.17Å; H105-K108 PolarHBondContact O-N 3.39Å; H105-N109 PolarHBondContact CD2-ND2 2.62Å; H105-N109 PolarHBondContact CE1-ND2 3.38Å; H105-N109 PolarHBondContact ND1-ND2 3.35Å; H105-N109 PolarHBondContact NE2-ND2 2.98Å; H105-N109 VanDerWaalsContact NE2-ND2 3.11Å; H105-N109 WeakPolarHBondContact O-CB 3.3Å; H105-N109 PolarHBondContact O-N 2.92Å; H105-N109 PolarHBondContact O-ND2 2.91Å
106E97.6Very high97.8Very high4 Ų442.6 Ų42.62%0.01924%0.238CC..Hα-helixtrans-64.7-41.3178.7-63.9-44.7128.400112.9K53 I55 I102 I103 N109 G110 I111 V116K53-E106 WeakPolarHBondContact CE-OE2 3.44Å; K53-E106 IonicContact NZ-OE1 3.27Å; K53-E106 IonicContact NZ-OE2 2.91Å; K53-E106 PolarHBondContact NZ-OE2 3.21Å; I55-E106 HydrophobicContact CD1-CG 3.95Å; I102-E106 WeakPolarHBondContact O-CG 3.49Å; I102-E106 PolarHBondContact O-N 2.88Å; I103-E106 PolarHBondContact O-N 3.15Å; E106-N109 CarbonylContact O-C 3.54Å; E106-N109 PolarHBondContact O-N 3.23Å; E106-N109 VanDerWaalsContact O-N 3.16Å; E106-G110 PolarHBondContact O-N 2.88Å; E106-G110 VanDerWaalsContact O-N 3.16Å; E106-I111 CarbonylContact C-O 3.45Å; E106-I111 HydrophobicContact CB-CB 4.47Å; E106-I111 PolarHBondContact O-N 3.04Å; E106-V116 HydrophobicContact CB-CG2 4.28Å
107V97.8Very high97.8Very high52 Ų5242.6 Ų42.632%0.31524%0.238SC..Hα-helixtrans-60-47.6174173.90000111.3I103 D104 N109 G110 I111 A113I103-V107 HydrophobicContact CG2-CG2 4.34Å; I103-V107 WeakPolarHBondContact O-CG2 3.45Å; I103-V107 PolarHBondContact O-N 3.49Å; D104-V107 PolarHBondContact O-N 3.35Å; V107-N109 PolarHBondContact O-N 3.42Å; V107-G110 PolarHBondContact O-N 3.25Å; V107-I111 WeakPolarHBondContact CA-O 3.38Å; V107-I111 PolarHBondContact N-O 3.08Å; V107-A113 HydrophobicContact CG2-CB 3.91Å
108K97.3Very high97.9Very high183 Ų18337.5 Ų37.580%0.79622%0.215SC*.Hα-helixtrans-62.5-28.5177.7-173.3175.9179.6179.70112.7D104 H105D104-K108 VanDerWaalsContact O-CB 3.28Å; D104-K108 WeakPolarHBondContact O-CB 3.34Å; D104-K108 PolarHBondContact O-N 3.11Å; H105-K108 PolarHBondContact O-N 3.39Å
109N95.8Very high97.9Very high66 Ų6634 Ų3435%0.35320%0.196SC..THydrogen-bonded Turntrans-92.69.4177.9-71.1-69.5000113.8G3 H105 E106 V107G3-N109 VanDerWaalsContact CA-OD1 3.24Å; G3-N109 WeakPolarHBondContact CA-OD1 3.22Å; H105-N109 PolarHBondContact CD2-ND2 2.62Å; H105-N109 PolarHBondContact CE1-ND2 3.38Å; H105-N109 PolarHBondContact ND1-ND2 3.35Å; H105-N109 PolarHBondContact NE2-ND2 2.98Å; H105-N109 VanDerWaalsContact NE2-ND2 3.11Å; H105-N109 WeakPolarHBondContact O-CB 3.3Å; H105-N109 PolarHBondContact O-N 2.92Å; H105-N109 PolarHBondContact O-ND2 2.91Å; E106-N109 CarbonylContact O-C 3.54Å; E106-N109 PolarHBondContact O-N 3.23Å; E106-N109 VanDerWaalsContact O-N 3.16Å; V107-N109 PolarHBondContact O-N 3.42Å
110G97Very high98Very high61 Ų6134 Ų3463%0.62920%0.196SC*.THydrogen-bonded Turntrans101.56.5166.900000115.9E106 V107 P112E106-G110 PolarHBondContact O-N 2.88Å; E106-G110 VanDerWaalsContact O-N 3.16Å; V107-G110 PolarHBondContact O-N 3.25Å; G110-P112 WeakPolarHBondContact O-CD 3.41Å
111I98.4Very high98Very high7 Ų733.5 Ų33.54%0.03619%0.194CC..  trans-97.3103.4169.5-61.1175.7000108.1A26 K53 E106 V107 R115 V116A26-I111 HydrophobicContact CB-CD1 4.1Å; A26-I111 HydrophobicContact CB-CG2 4.35Å; K53-I111 HydrophobicContact CD-CD1 3.92Å; K53-I111 HydrophobicContact CG-CD1 4.46Å; E106-I111 CarbonylContact C-O 3.45Å; E106-I111 HydrophobicContact CB-CB 4.47Å; E106-I111 PolarHBondContact O-N 3.04Å; V107-I111 WeakPolarHBondContact CA-O 3.38Å; V107-I111 PolarHBondContact N-O 3.08Å; I111-R115 HydrophobicContact CG2-CB 3.92Å; I111-V116 HydrophobicContact CG2-CG2 3.9Å
112P98.3Very high98.1Very high60 Ų6032.3 Ų32.339%0.3918%0.183SC..  trans-62.9153.3-175.828.6-35.6000111.4G110 N114 R115G110-P112 WeakPolarHBondContact O-CD 3.41Å; P112-N114 WeakPolarHBondContact CB-OD1 3.47Å; P112-N114 WeakPolarHBondContact CG-OD1 3.39Å; P112-N114 PolarHBondContact O-N 3.04Å; P112-N114 VanDerWaalsContact O-N 3.13Å; P112-R115 HydrophobicContact CG-CB 4.05Å; P112-R115 HydrophobicContact CG-CG 3.66Å; P112-R115 WeakPolarHBondContact O-CA 3.4Å; P112-R115 VanDerWaalsContact O-CB 3.31Å; P112-R115 WeakPolarHBondContact O-CB 3.45Å; P112-R115 PolarHBondContact O-N 3.45Å
113A98.3Very high98.1Very high13 Ų1332.3 Ų32.311%0.10718%0.183CC..G310 helixtrans-57.5-34.9-172.600000113.3V107 R115 V116 Q137 Q138 L139V107-A113 HydrophobicContact CG2-CB 3.91Å; A113-R115 PolarHBondContact O-N 3.32Å; A113-V116 WeakPolarHBondContact O-CB 3.41Å; A113-V116 PolarHBondContact O-N 2.94Å; A113-Q137 HydrophobicContact CB-CB 3.76Å; A113-Q137 HydrophobicContact CB-CG 4.44Å; A113-Q138 CarbonylContact C-O 3.09Å; A113-L139 HydrophobicContact CB-CD2 4.39Å; A113-L139 WeakPolarHBondContact O-CA 3.22Å
114N98.4Very high98.2Very high89 Ų8932.3 Ų32.348%0.47618%0.183SC..G310 helixtrans-70.92.1175.769.8-17.9000113.9P112 Q138 A140P112-N114 WeakPolarHBondContact CB-OD1 3.47Å; P112-N114 WeakPolarHBondContact CG-OD1 3.39Å; P112-N114 PolarHBondContact O-N 3.04Å; P112-N114 VanDerWaalsContact O-N 3.13Å; N114-Q138 WeakPolarHBondContact CA-O 3.39Å; N114-Q138 PolarHBondContact N-O 2.89Å; N114-A140 VanDerWaalsContact O-CB 3.32Å; N114-A140 WeakPolarHBondContact O-CB 3.32Å
115R98.8Very high98.2Very high19 Ų1928.6 Ų28.67%0.07216%0.163CC..G310 helixtrans-116.38.5170.4-64.1-73.4-67.7178.3-5.1112.2T24 A25 A26 H51 I111 P112 A113 L229 P230T24-R115 WeakPolarHBondContact O-CB 3.5Å; T24-R115 PolarHBondContact O-NE 2.9Å; T24-R115 PolarHBondContact OG1-NH2 3.46Å; A25-R115 CarbonylContact C-O 3.51Å; A25-R115 VanDerWaalsContact CA-O 3.26Å; A25-R115 WeakPolarHBondContact CA-O 3.3Å; A25-R115 HydrophobicContact CB-CB 4.28Å; A25-R115 WeakPolarHBondContact CB-O 3.28Å; A26-R115 PolarHBondContact N-O 2.83Å; H51-R115 PolarHBondContact CD2-NH2 2.92Å; I111-R115 HydrophobicContact CG2-CB 3.92Å; P112-R115 HydrophobicContact CG-CB 4.05Å; P112-R115 HydrophobicContact CG-CG 3.66Å; P112-R115 WeakPolarHBondContact O-CA 3.4Å; P112-R115 VanDerWaalsContact O-CB 3.31Å; P112-R115 WeakPolarHBondContact O-CB 3.45Å; P112-R115 PolarHBondContact O-N 3.45Å; A113-R115 PolarHBondContact O-N 3.32Å; R115-L229 HydrophobicContact CB-CD2 4.4Å; R115-L229 VanDerWaalsContact NH1-C 3.27Å; R115-L229 VanDerWaalsContact NH1-CA 3.35Å; R115-P230 VanDerWaalsContact CZ-O 3.26Å; R115-P230 PolarHBondContact NH1-O 3.28Å; R115-P230 PolarHBondContact NH2-O 2.98Å
116V98.8Very high98.3Very high0 Ų027.9 Ų27.90%016%0.16CC..EExtended strand (participates in β ladder)trans-106123.3172.9-1760000108.8A26 I28 I103 E106 I111 A113 L139 A140A26-V116 CarbonylContact O-C 3.41Å; A26-V116 WeakPolarHBondContact O-CA 3.3Å; I28-V116 HydrophobicContact CD1-CG1 3.76Å; I28-V116 HydrophobicContact CG1-CG1 4.37Å; I103-V116 HydrophobicContact CG1-CG1 4.15Å; E106-V116 HydrophobicContact CB-CG2 4.28Å; I111-V116 HydrophobicContact CG2-CG2 3.9Å; A113-V116 WeakPolarHBondContact O-CB 3.41Å; A113-V116 PolarHBondContact O-N 2.94Å; V116-L139 HydrophobicContact CB-CD2 4.37Å; V116-A140 WeakPolarHBondContact O-CB 3.41Å; V116-A140 PolarHBondContact O-N 3.39Å
117M98.9Very high98.4Very high0 Ų027.7 Ų27.70%016%0.159CC..EExtended strand (participates in β ladder)trans-108.9137.4174.3179.8174.8-67.200109.2A26 V27 I28 A140 G141 V143 F224 I225 Q228 L229A26-M117 PolarHBondContact O-N 3.39Å; V27-M117 CarbonylContact C-O 3.47Å; V27-M117 WeakPolarHBondContact CA-O 3.24Å; V27-M117 HydrophobicContact CG2-CB 4.2Å; I28-M117 PolarHBondContact N-O 2.81Å; M117-A140 HydrophobicContact CB-CB 4.37Å; M117-G141 WeakPolarHBondContact CG-O 3.33Å; M117-V143 HydrophobicContact SD-CG2 3.77Å; M117-F224 HydrophobicContact CE-CD1 3.83Å; M117-F224 HydrophobicContact CE-CE1 3.53Å; M117-F224 HydrophobicContact CE-CZ 4.47Å; M117-F224 HydrophobicContact SD-CD1 4.03Å; M117-F224 HydrophobicContact SD-CE1 3.88Å; M117-I225 HydrophobicContact CE-CG1 4.37Å; M117-I225 HydrophobicContact SD-CG1 3.64Å; M117-Q228 HydrophobicContact CE-CB 3.72Å; M117-Q228 HydrophobicContact CE-CG 4.13Å; M117-L229 HydrophobicContact CB-CD1 4.09Å; M117-L229 HydrophobicContact CE-CD1 4.31Å; M117-L229 HydrophobicContact CE-CG 4.39Å
118L98.9Very high98.4Very high0 Ų025.2 Ų25.20%014%0.144CC..EExtended strand (participates in β ladder)trans-94.9148167.7-63.1-172.5000109.8I28 I99 I103 T131 A132 L139 G141 V142 V143I28-L118 HydrophobicContact CB-CD2 3.77Å; I28-L118 HydrophobicContact CD1-CD2 3.87Å; I28-L118 HydrophobicContact CG1-CD2 4.34Å; I28-L118 HydrophobicContact CG2-CD2 4.33Å; I28-L118 CarbonylContact O-C 3.54Å; I99-L118 HydrophobicContact CG2-CD1 4.22Å; I99-L118 HydrophobicContact CG2-CD2 3.93Å; I103-L118 HydrophobicContact CD1-CD1 4.19Å; I103-L118 HydrophobicContact CD1-CD2 4.07Å; I103-L118 HydrophobicContact CD1-CG 4.41Å; I103-L118 HydrophobicContact CG1-CD2 4.25Å; L118-T131 HydrophobicContact CD1-CG2 3.75Å; L118-A132 HydrophobicContact CD1-CB 4.14Å; L118-L139 HydrophobicContact CD1-CD1 4.08Å; L118-L139 HydrophobicContact CG-CD1 4.08Å; L118-G141 PolarHBondContact N-O 2.72Å; L118-G141 VanDerWaalsContact N-O 3.17Å; L118-V142 HydrophobicContact CB-CG2 4.47Å; L118-V142 CarbonylContact O-C 3.59Å; L118-V142 WeakPolarHBondContact O-CA 3.44Å; L118-V143 PolarHBondContact O-N 3.43Å
119G98.9Very high98.5Very high0 Ų016.5 Ų16.50%011%0.106CC..EExtended strand (participates in β ladder)trans-153164.8168.800000111.9I28 F29 L30 S128 V143I28-G119 PolarHBondContact O-N 3Å; F29-G119 CarbonylContact C-O 3.54Å; F29-G119 VanDerWaalsContact CA-O 3.24Å; F29-G119 WeakPolarHBondContact CA-O 3.29Å; L30-G119 PolarHBondContact N-O 3.06Å; G119-S128 PolarHBondContact O-OG 2.89Å; G119-V143 CarbonylContact C-O 3.48Å; G119-V143 WeakPolarHBondContact CA-O 3.39Å
120G98.8Very high98.6Very high0 Ų014 Ų140%09%0.092CC..EExtended strand (participates in β ladder)trans-178.6170.6173.300000113.7L30 G125 V143 L145L30-G120 CarbonylContact O-C 3.59Å; L30-G120 WeakPolarHBondContact O-CA 3.35Å; G120-G125 VanDerWaalsContact C-N 3.3Å; G120-G125 VanDerWaalsContact O-CA 3.32Å; G120-G125 WeakPolarHBondContact O-CA 3.35Å; G120-V143 PolarHBondContact N-O 3.46Å; G120-L145 PolarHBondContact O-N 2.84Å
121F98.9Very high98.7Very high19 Ų1911.1 Ų11.18%0.0836%0.062CC..EExtended strand (participates in β ladder)trans-114.5138.2178.8177-96.7000111F29 L30 G32 W40 Q123 G124 G125 L145 H211F29-F121 HydrophobicContact CE1-CB 4.34Å; F29-F121 HydrophobicContact CZ-CB 4.44Å; L30-F121 PolarHBondContact O-N 2.81Å; G32-F121 WeakPolarHBondContact CA-O 3.48Å; G32-F121 PolarHBondContact N-O 3.03Å; W40-F121 HydrophobicContact CH2-CB 3.8Å; W40-F121 AromaticContact CH2-CD2 3.92Å; W40-F121 HydrophobicContact CH2-CD2 3.92Å; W40-F121 AromaticContact CH2-CG 3.99Å; W40-F121 HydrophobicContact CH2-CG 3.99Å; W40-F121 HydrophobicContact CZ2-CB 3.24Å; W40-F121 AromaticContact CZ2-CD1 3.93Å; W40-F121 HydrophobicContact CZ2-CD1 3.93Å; W40-F121 AromaticContact CZ2-CD2 3.7Å; W40-F121 HydrophobicContact CZ2-CD2 3.7Å; W40-F121 AromaticContact CZ2-CG 3.35Å; W40-F121 HydrophobicContact CZ2-CG 3.35Å; F121-Q123 PolarHBondContact O-N 3.15Å; F121-G124 PolarHBondContact O-N 2.99Å; F121-G125 PolarHBondContact O-N 3.22Å; F121-L145 CarbonylContact C-O 3.39Å; F121-L145 WeakPolarHBondContact CA-O 3.42Å; F121-L145 HydrophobicContact CB-CB 4.47Å; F121-L145 HydrophobicContact CD2-CB 3.98Å; F121-H211 AromaticContact CE1-CD2 3.94Å; F121-H211 AromaticContact CE1-CE1 3.99Å; F121-H211 AromaticContact CE1-NE2 3.57Å; F121-H211 AromaticContact CZ-CD2 3.8Å; F121-H211 AromaticContact CZ-CE1 3.73Å; F121-H211 AromaticContact CZ-CG 3.97Å; F121-H211 AromaticContact CZ-ND1 3.92Å; F121-H211 AromaticContact CZ-NE2 3.67Å
122S98.4Very high98.7Very high12 Ų1210.8 Ų10.88%0.0846%0.06CC..THydrogen-bonded Turntrans51.8-122.1176.1-170.90000111.3G124 G125 A126 L145 S146 C147 H211S122-G124 PolarHBondContact O-N 3.46Å; S122-G125 PolarHBondContact O-N 3.06Å; S122-A126 PolarHBondContact O-N 2.89Å; S122-L145 PolarHBondContact N-O 2.83Å; S122-S146 WeakPolarHBondContact CA-O 3.31Å; S122-C147 WeakPolarHBondContact O-CB 3.25Å; S122-H211 WeakPolarHBondContact CB-NE2 3.5Å; S122-H211 PolarHBondContact OG-CE1 3.47Å; S122-H211 PolarHBondContact OG-NE2 2.96Å; S122-H211 VanDerWaalsContact OG-NE2 3.13Å
123Q98.6Very high98.8Very high1 Ų17.9 Ų7.91%0.0054%0.042CC..Hα-helixtrans-53.6-37.8176.1-167.9-17957.100113.4S74 W75 F76 F121 A126 L127 W148S74-Q123 PolarHBondContact OG-NE2 3.29Å; S74-Q123 VanDerWaalsContact OG-NE2 3.07Å; S74-Q123 PolarHBondContact OG-OE1 2.88Å; W75-Q123 HydrophobicContact CB-CG 4.5Å; F76-Q123 HydrophobicContact CD1-CG 4.27Å; F76-Q123 HydrophobicContact CE1-CG 3.6Å; F76-Q123 HydrophobicContact CE2-CG 4.04Å; F76-Q123 HydrophobicContact CZ-CG 3.47Å; F76-Q123 VanDerWaalsContact CZ-CG 3.47Å; F76-Q123 PolarHBondContact O-NE2 3.02Å; F121-Q123 PolarHBondContact O-N 3.15Å; Q123-A126 WeakPolarHBondContact O-CB 3.43Å; Q123-A126 PolarHBondContact O-N 3.03Å; Q123-L127 PolarHBondContact O-N 2.85Å; Q123-W148 HydrophobicContact CB-CH2 4.3Å
124G98.8Very high98.8Very high0 Ų08.1 Ų8.10%04%0.042CC..Hα-helixtrans-71.1-34.2177.100000113.1L30 H31 F121 S122 L127 S128L30-G124 WeakPolarHBondContact O-CA 3.4Å; H31-G124 WeakPolarHBondContact O-CA 3.23Å; H31-G124 PolarHBondContact O-N 3.42Å; F121-G124 PolarHBondContact O-N 2.99Å; S122-G124 PolarHBondContact O-N 3.46Å; G124-L127 PolarHBondContact O-N 2.93Å; G124-S128 WeakPolarHBondContact O-CB 3.4Å; G124-S128 PolarHBondContact O-N 2.94Å; G124-S128 PolarHBondContact O-OG 3.38Å
125G98.9Very high98.7Very high0 Ų04.1 Ų4.10%02%0.021CC..Hα-helixtrans-65.4-41.9172.300000111.5G120 F121 S122 S128 L129G120-G125 VanDerWaalsContact C-N 3.3Å; G120-G125 VanDerWaalsContact O-CA 3.32Å; G120-G125 WeakPolarHBondContact O-CA 3.35Å; F121-G125 PolarHBondContact O-N 3.22Å; S122-G125 PolarHBondContact O-N 3.06Å; G125-S128 WeakPolarHBondContact O-CB 3.29Å; G125-S128 PolarHBondContact O-N 2.8Å; G125-L129 PolarHBondContact O-N 3.09Å
126A98.8Very high98.6Very high0 Ų010 Ų100%05%0.049CC..Hα-helixtrans-60-46.9174.700000112S122 Q123 S128 L129 Y130 C147 W148 P150S122-A126 PolarHBondContact O-N 2.89Å; Q123-A126 WeakPolarHBondContact O-CB 3.43Å; Q123-A126 PolarHBondContact O-N 3.03Å; A126-S128 VanDerWaalsContact C-N 3.33Å; A126-S128 PolarHBondContact O-N 2.93Å; A126-L129 PolarHBondContact O-N 2.9Å; A126-Y130 PolarHBondContact O-N 3.38Å; A126-Y130 VanDerWaalsContact O-N 3.09Å; A126-C147 HydrophobicContact CB-CB 4.49Å; A126-W148 WeakPolarHBondContact CA-O 3.45Å; A126-W148 HydrophobicContact CB-CD2 3.91Å; A126-W148 HydrophobicContact CB-CE3 4.14Å; A126-W148 HydrophobicContact CB-CG 4.43Å; A126-W148 HydrophobicContact CB-CH2 4.3Å; A126-W148 HydrophobicContact CB-CZ2 4.08Å; A126-W148 HydrophobicContact CB-CZ3 4.32Å; A126-W148 WeakPolarHBondContact CB-O 3.49Å; A126-P150 HydrophobicContact CB-CG 4.26Å; A126-P150 VanDerWaalsContact O-CD 3.24Å; A126-P150 WeakPolarHBondContact O-CD 3.42Å; A126-P150 WeakPolarHBondContact O-CG 3.33Å
127L98.9Very high98.4Very high0 Ų012.8 Ų12.80%06%0.062CC..Hα-helixtrans-63.3-38.9175.5-177.756.4000112.3L30 W75 F76 A95 A96 I99 Q123 G124 Y130 T131L30-L127 HydrophobicContact CD1-CB 4Å; L30-L127 HydrophobicContact CD1-CD2 3.81Å; L30-L127 HydrophobicContact CD1-CG 3.84Å; W75-L127 HydrophobicContact CB-CD2 3.75Å; W75-L127 HydrophobicContact CD2-CD2 3.91Å; W75-L127 HydrophobicContact CE3-CD2 3.99Å; W75-L127 HydrophobicContact CG-CD2 3.81Å; F76-L127 HydrophobicContact CE1-CB 4.21Å; A95-L127 HydrophobicContact CB-CD1 3.83Å; A95-L127 HydrophobicContact CB-CD2 3.7Å; A95-L127 HydrophobicContact CB-CG 4.47Å; A96-L127 HydrophobicContact CB-CD1 4.14Å; I99-L127 HydrophobicContact CG1-CD2 3.99Å; I99-L127 HydrophobicContact CG1-CG 4.36Å; Q123-L127 PolarHBondContact O-N 2.85Å; G124-L127 PolarHBondContact O-N 2.93Å; L127-Y130 PolarHBondContact O-N 2.91Å; L127-T131 VanDerWaalsContact O-CB 3.25Å; L127-T131 WeakPolarHBondContact O-CB 3.24Å; L127-T131 PolarHBondContact O-N 3.2Å; L127-T131 PolarHBondContact O-OG1 3.02Å
128S98.9Very high98.3Very high0 Ų018.4 Ų18.40%09%0.088CC..Hα-helixtrans-62.6-44.9178.4-63.50000112L30 G119 G124 G125 A126 A132L30-S128 WeakPolarHBondContact CD1-OG 3.48Å; G119-S128 PolarHBondContact O-OG 2.89Å; G124-S128 WeakPolarHBondContact O-CB 3.4Å; G124-S128 PolarHBondContact O-N 2.94Å; G124-S128 PolarHBondContact O-OG 3.38Å; G125-S128 WeakPolarHBondContact O-CB 3.29Å; G125-S128 PolarHBondContact O-N 2.8Å; A126-S128 VanDerWaalsContact C-N 3.33Å; A126-S128 PolarHBondContact O-N 2.93Å; S128-A132 WeakPolarHBondContact O-CB 3.17Å; S128-A132 PolarHBondContact O-N 2.93Å
129L98.9Very high98.3Very high0 Ų018.6 Ų18.60%09%0.089CC..Hα-helixtrans-59-54174.3-75.3171.5000111.1G125 A126 T131 A132 L133 V142 A144 L149 I169 T188 L192G125-L129 PolarHBondContact O-N 3.09Å; A126-L129 PolarHBondContact O-N 2.9Å; L129-T131 VanDerWaalsContact C-N 3.32Å; L129-T131 PolarHBondContact O-N 2.81Å; L129-A132 PolarHBondContact O-N 3.18Å; L129-L133 WeakPolarHBondContact O-CB 3.16Å; L129-L133 WeakPolarHBondContact O-CG 3.46Å; L129-L133 PolarHBondContact O-N 2.81Å; L129-V142 HydrophobicContact CD2-CG1 3.88Å; L129-V142 HydrophobicContact CG-CG1 4.36Å; L129-A144 HydrophobicContact CD1-CB 3.93Å; L129-A144 HydrophobicContact CD2-CB 3.95Å; L129-A144 HydrophobicContact CG-CB 3.87Å; L129-L149 HydrophobicContact CB-CD1 4.19Å; L129-I169 HydrophobicContact CD2-CD1 4.5Å; L129-I169 HydrophobicContact CD2-CG2 4.2Å; L129-T188 HydrophobicContact CD1-CG2 3.91Å; L129-L192 HydrophobicContact CD2-CD1 4.21Å; L129-L192 HydrophobicContact CD2-CD2 4.31Å
130Y98.9Very high98.3Very high13 Ų1319 Ų195%0.0519%0.093CC..Hα-helixtrans-60.1-43.4-178.6-177.8-89.8000112.3I92 K93 A96 A126 L127 T134 P150 L151 F155I92-Y130 HydrophobicContact CG2-CD1 3.72Å; I92-Y130 HydrophobicContact CG2-CD2 4.14Å; I92-Y130 HydrophobicContact CG2-CE1 3.9Å; I92-Y130 HydrophobicContact CG2-CE2 4.32Å; I92-Y130 HydrophobicContact CG2-CG 3.85Å; K93-Y130 WeakPolarHBondContact CE-OH 3.37Å; K93-Y130 HydrophobicContact CG-CE1 4.34Å; K93-Y130 VanDerWaalsContact CG-OH 3.28Å; K93-Y130 WeakPolarHBondContact CG-OH 3.48Å; A96-Y130 HydrophobicContact CB-CD1 3.72Å; A96-Y130 HydrophobicContact CB-CE1 3.86Å; A126-Y130 PolarHBondContact O-N 3.38Å; A126-Y130 VanDerWaalsContact O-N 3.09Å; L127-Y130 PolarHBondContact O-N 2.91Å; Y130-T134 HydrophobicContact CE1-CG2 4.2Å; Y130-T134 HydrophobicContact CE2-CG2 4.15Å; Y130-T134 WeakPolarHBondContact O-CB 3.4Å; Y130-T134 WeakPolarHBondContact O-CG2 3.24Å; Y130-T134 PolarHBondContact O-N 2.82Å; Y130-T134 VanDerWaalsContact O-N 3.08Å; Y130-T134 PolarHBondContact O-OG1 3.4Å; Y130-P150 HydrophobicContact CD2-CG 4.31Å; Y130-P150 HydrophobicContact CG-CG 4.26Å; Y130-L151 HydrophobicContact CD2-CD1 4.46Å; Y130-L151 HydrophobicContact CE2-CB 4.25Å; Y130-L151 HydrophobicContact CE2-CD1 3.72Å; Y130-L151 HydrophobicContact CE2-CG 4.42Å; Y130-F155 AromaticContact CD2-CE2 3.93Å; Y130-F155 HydrophobicContact CD2-CE2 3.93Å; Y130-F155 AromaticContact CD2-CZ 3.91Å; Y130-F155 HydrophobicContact CD2-CZ 3.91Å; Y130-F155 HydrophobicContact CE2-CE2 4.13Å; Y130-F155 HydrophobicContact CE2-CZ 4.13Å
131T98.8Very high98.3Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-62.1-50.5179.5-570000110.9A96 I99 K100 L118 L127 L129 T134 C135A96-T131 WeakPolarHBondContact CA-OG1 3.35Å; A96-T131 HydrophobicContact CB-CG2 4.46Å; A96-T131 WeakPolarHBondContact CB-OG1 2.83Å; I99-T131 HydrophobicContact CB-CG2 3.95Å; I99-T131 HydrophobicContact CG2-CG2 3.9Å; K100-T131 HydrophobicContact CG-CG2 3.9Å; L118-T131 HydrophobicContact CD1-CG2 3.75Å; L127-T131 VanDerWaalsContact O-CB 3.25Å; L127-T131 WeakPolarHBondContact O-CB 3.24Å; L127-T131 PolarHBondContact O-N 3.2Å; L127-T131 PolarHBondContact O-OG1 3.02Å; L129-T131 VanDerWaalsContact C-N 3.32Å; L129-T131 PolarHBondContact O-N 2.81Å; T131-T134 CarbonylContact O-C 3.6Å; T131-T134 PolarHBondContact O-N 2.85Å; T131-T134 PolarHBondContact O-OG1 3.47Å; T131-C135 VanDerWaalsContact O-CB 3.29Å; T131-C135 WeakPolarHBondContact O-CB 3.04Å; T131-C135 PolarHBondContact O-N 2.99Å
132A98.7Very high98.3Very high0 Ų018.1 Ų18.10%09%0.089CC..Hα-helixtrans-63.5-44.9-179.300000112.1L118 S128 L129 T134 C135 L139 V142 N164 M167L118-A132 HydrophobicContact CD1-CB 4.14Å; S128-A132 WeakPolarHBondContact O-CB 3.17Å; S128-A132 PolarHBondContact O-N 2.93Å; L129-A132 PolarHBondContact O-N 3.18Å; A132-T134 PolarHBondContact O-N 2.92Å; A132-C135 PolarHBondContact O-N 3.3Å; A132-L139 HydrophobicContact CB-CD1 3.87Å; A132-V142 HydrophobicContact CB-CG2 3.35Å; A132-N164 PolarHBondContact O-ND2 2.88Å; A132-M167 HydrophobicContact CB-CE 3.77Å; A132-M167 HydrophobicContact CB-SD 3.85Å
133L98.6Very high98.4Very high0 Ų017.7 Ų17.70%09%0.086CC..Hα-helixtrans-67.8-22.3-178.7-66.2171.5000113.1L129 L149 F155 A159 S162 L192 I195 V196L129-L133 WeakPolarHBondContact O-CB 3.16Å; L129-L133 WeakPolarHBondContact O-CG 3.46Å; L129-L133 PolarHBondContact O-N 2.81Å; L133-L149 HydrophobicContact CD1-CD1 3.56Å; L133-L149 HydrophobicContact CD1-CD2 4.47Å; L133-F155 HydrophobicContact CB-CE1 3.79Å; L133-F155 HydrophobicContact CB-CZ 4.19Å; L133-F155 HydrophobicContact CD1-CE1 4.24Å; L133-F155 HydrophobicContact CD1-CZ 4.42Å; L133-A159 WeakPolarHBondContact O-CB 3.32Å; L133-S162 WeakPolarHBondContact O-CB 3.48Å; L133-S162 PolarHBondContact O-OG 2.85Å; L133-L192 HydrophobicContact CD1-CD2 3.66Å; L133-L192 HydrophobicContact CD2-CD2 4.35Å; L133-I195 HydrophobicContact CD1-CD1 4.37Å; L133-I195 HydrophobicContact CD2-CG2 3.89Å; L133-V196 HydrophobicContact CD2-CG1 3.54Å
134T98.3Very high98.4Very high18 Ų1817.6 Ų17.611%0.119%0.085CC..THydrogen-bonded Turntrans-104.85.1176.263.70000113.3K100 Y130 T131 A132 F155K100-T134 PolarHBondContact NZ-O 3.24Å; K100-T134 PolarHBondContact NZ-OG1 2.95Å; Y130-T134 HydrophobicContact CE1-CG2 4.2Å; Y130-T134 HydrophobicContact CE2-CG2 4.15Å; Y130-T134 WeakPolarHBondContact O-CB 3.4Å; Y130-T134 WeakPolarHBondContact O-CG2 3.24Å; Y130-T134 PolarHBondContact O-N 2.82Å; Y130-T134 VanDerWaalsContact O-N 3.08Å; Y130-T134 PolarHBondContact O-OG1 3.4Å; T131-T134 CarbonylContact O-C 3.6Å; T131-T134 PolarHBondContact O-N 2.85Å; T131-T134 PolarHBondContact O-OG1 3.47Å; A132-T134 PolarHBondContact O-N 2.92Å; T134-F155 HydrophobicContact CG2-CE1 4.29Å; T134-F155 HydrophobicContact CG2-CZ 4.04Å
135C97.3Very high98.4Very high4 Ų417.6 Ų17.63%0.0279%0.085CC..  trans-84.3131.8177.3-169.70000110.7T131 A132 Q137 L139 S162 G163 N164T131-C135 VanDerWaalsContact O-CB 3.29Å; T131-C135 WeakPolarHBondContact O-CB 3.04Å; T131-C135 PolarHBondContact O-N 2.99Å; A132-C135 PolarHBondContact O-N 3.3Å; C135-Q137 VanDerWaalsContact C-N 3.34Å; C135-Q137 PolarHBondContact SG-N 2.97Å; C135-L139 HydrophobicContact CB-CD1 4.41Å; C135-S162 WeakPolarHBondContact O-CA 3.22Å; C135-S162 PolarHBondContact O-OG 3.3Å; C135-G163 PolarHBondContact O-N 2.95Å; C135-G163 VanDerWaalsContact O-N 3.14Å; C135-N164 PolarHBondContact O-ND2 2.9Å
136Q95.9Very high98.4Very high144 Ų14417.6 Ų17.667%0.6739%0.085SC*.SBendtrans-74.4-28.1175.8-62.2-173.5-5.100112.1G163Q136-G163 WeakPolarHBondContact O-CA 3.32Å; Q136-G163 PolarHBondContact O-N 3.27Å
137Q95.8Very high98.4Very high57 Ų5717.6 Ų17.627%0.2669%0.085SC..SBendtrans-75.9138177.5-64.3176.870.500110.4D104 A113 C135 L139 N164D104-Q137 PolarHBondContact OD1-NE2 3.26Å; A113-Q137 HydrophobicContact CB-CB 3.76Å; A113-Q137 HydrophobicContact CB-CG 4.44Å; C135-Q137 VanDerWaalsContact C-N 3.34Å; C135-Q137 PolarHBondContact SG-N 2.97Å; Q137-L139 PolarHBondContact O-N 3.3Å; Q137-N164 PolarHBondContact O-ND2 3.03Å; Q137-N164 PolarHBondContact O-OD1 3.42Å
138Q97.4Very high98.3Very high118 Ų11819.1 Ų19.155%0.5519%0.091SC*.  trans-74.3112.7176.3-172.9-179.74.200109.8A113 N114 N164A113-Q138 CarbonylContact C-O 3.09Å; N114-Q138 WeakPolarHBondContact CA-O 3.39Å; N114-Q138 PolarHBondContact N-O 2.89Å; Q138-N164 WeakPolarHBondContact CA-OD1 3.48Å
139L98.7Very high98.3Very high5 Ų519.2 Ų19.23%0.0269%0.092CC..  trans-90.4160.2179-59.6179.7000111.5I103 A113 V116 L118 A132 C135 Q137 G141 N164 M167I103-L139 HydrophobicContact CD1-CD1 4.19Å; I103-L139 HydrophobicContact CD1-CD2 4.13Å; I103-L139 HydrophobicContact CG2-CD2 4.03Å; A113-L139 HydrophobicContact CB-CD2 4.39Å; A113-L139 WeakPolarHBondContact O-CA 3.22Å; V116-L139 HydrophobicContact CB-CD2 4.37Å; L118-L139 HydrophobicContact CD1-CD1 4.08Å; L118-L139 HydrophobicContact CG-CD1 4.08Å; A132-L139 HydrophobicContact CB-CD1 3.87Å; C135-L139 HydrophobicContact CB-CD1 4.41Å; Q137-L139 PolarHBondContact O-N 3.3Å; L139-G141 VanDerWaalsContact C-N 3.34Å; L139-N164 PolarHBondContact N-OD1 2.91Å; L139-M167 HydrophobicContact CB-SD 4.01Å
140A98.7Very high98.3Very high9 Ų919.2 Ų19.27%0.0749%0.092CC..SBendtrans-70.6-29.5-179.600000113.2N114 V116 M117 P168 L229N114-A140 VanDerWaalsContact O-CB 3.32Å; N114-A140 WeakPolarHBondContact O-CB 3.32Å; V116-A140 WeakPolarHBondContact O-CB 3.41Å; V116-A140 PolarHBondContact O-N 3.39Å; M117-A140 HydrophobicContact CB-CB 4.37Å; A140-P168 WeakPolarHBondContact O-CD 3.04Å; A140-L229 HydrophobicContact CB-CD2 3.54Å; A140-L229 HydrophobicContact CB-CG 4.32Å
141G98.8Very high98.2Very high0 Ų019.6 Ų19.60%09%0.094CC..EExtended strand (participates in β ladder)trans164.4178.2-178.600000113.5M117 L118 L139 P168M117-G141 WeakPolarHBondContact CG-O 3.33Å; L118-G141 PolarHBondContact N-O 2.72Å; L118-G141 VanDerWaalsContact N-O 3.17Å; L139-G141 VanDerWaalsContact C-N 3.34Å; G141-P168 CarbonylContact C-O 3.58Å; G141-P168 WeakPolarHBondContact CA-O 3.38Å
142V98.9Very high98.1Very high0 Ų022.1 Ų22.10%011%0.106CC..EExtended strand (participates in β ladder)trans-128.8137.4170.4178.90000111.7L118 L129 A132 A144 M167 P168 I169 L170L118-V142 HydrophobicContact CB-CG2 4.47Å; L118-V142 CarbonylContact O-C 3.59Å; L118-V142 WeakPolarHBondContact O-CA 3.44Å; L129-V142 HydrophobicContact CD2-CG1 3.88Å; L129-V142 HydrophobicContact CG-CG1 4.36Å; A132-V142 HydrophobicContact CB-CG2 3.35Å; V142-A144 HydrophobicContact CG1-CB 4.24Å; V142-M167 HydrophobicContact CB-CE 4.3Å; V142-M167 HydrophobicContact CG2-CE 3.44Å; V142-M167 VanDerWaalsContact CG2-CE 3.44Å; V142-M167 HydrophobicContact CG2-SD 3.75Å; V142-P168 PolarHBondContact N-O 2.95Å; V142-I169 HydrophobicContact CB-CG1 4.35Å; V142-I169 HydrophobicContact CB-CG2 4.39Å; V142-I169 WeakPolarHBondContact O-CA 3.35Å; V142-L170 PolarHBondContact O-N 3.26Å
143V98.9Very high98.1Very high2 Ų229 Ų291%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-110109166.2176.40000109.6M117 L118 G119 G120 L145 L170 V221 F224M117-V143 HydrophobicContact SD-CG2 3.77Å; L118-V143 PolarHBondContact O-N 3.43Å; G119-V143 CarbonylContact C-O 3.48Å; G119-V143 WeakPolarHBondContact CA-O 3.39Å; G120-V143 PolarHBondContact N-O 3.46Å; V143-L145 HydrophobicContact CG1-CD2 3.57Å; V143-L145 HydrophobicContact CG1-CG 4.01Å; V143-L170 CarbonylContact C-O 3.52Å; V143-L170 WeakPolarHBondContact CA-O 3.38Å; V143-V221 HydrophobicContact CG1-CB 4.5Å; V143-V221 HydrophobicContact CG1-CG1 4.02Å; V143-V221 HydrophobicContact CG1-CG2 3.74Å; V143-V221 HydrophobicContact CG2-CG1 4.34Å; V143-F224 HydrophobicContact CG2-CD1 3.62Å; V143-F224 HydrophobicContact CG2-CE1 3.83Å
144A98.9Very high98Very high0 Ų031.3 Ų31.30%015%0.152CC..EExtended strand (participates in β ladder)trans-113.9101.4-173.400000110.7L129 V142 L170 Q171 C172L129-A144 HydrophobicContact CD1-CB 3.93Å; L129-A144 HydrophobicContact CD2-CB 3.95Å; L129-A144 HydrophobicContact CG-CB 3.87Å; V142-A144 HydrophobicContact CG1-CB 4.24Å; A144-L170 PolarHBondContact N-O 3.44Å; A144-Q171 HydrophobicContact CB-CB 4.4Å; A144-Q171 HydrophobicContact CB-CG 4.25Å; A144-Q171 CarbonylContact O-C 3.48Å; A144-Q171 VanDerWaalsContact O-CA 3.3Å; A144-Q171 WeakPolarHBondContact O-CA 3.31Å; A144-C172 PolarHBondContact O-N 3.35Å
145L98.9Very high98Very high0 Ų030.8 Ų30.80%015%0.148CC..EExtended strand (participates in β ladder)trans-101.3125.4-174.8-47.7-174.8000111.3F29 W40 G120 F121 S122 V143 C147 C172 E217 V221F29-L145 HydrophobicContact CE2-CD1 4.21Å; F29-L145 HydrophobicContact CZ-CD1 3.83Å; F29-L145 HydrophobicContact CZ-CG 4.42Å; W40-L145 HydrophobicContact CH2-CD1 3.99Å; W40-L145 HydrophobicContact CZ3-CD1 3.98Å; G120-L145 PolarHBondContact O-N 2.84Å; F121-L145 CarbonylContact C-O 3.39Å; F121-L145 WeakPolarHBondContact CA-O 3.42Å; F121-L145 HydrophobicContact CB-CB 4.47Å; F121-L145 HydrophobicContact CD2-CB 3.98Å; S122-L145 PolarHBondContact N-O 2.83Å; V143-L145 HydrophobicContact CG1-CD2 3.57Å; V143-L145 HydrophobicContact CG1-CG 4.01Å; L145-C147 VanDerWaalsContact C-N 3.33Å; L145-C147 PolarHBondContact O-N 3.22Å; L145-C172 HydrophobicContact CD2-CB 3.68Å; L145-E217 HydrophobicContact CD2-CG 4.28Å; L145-V221 HydrophobicContact CD2-CG2 3.95Å
146S98.7Very high97.9Very high0 Ų034 Ų340%017%0.17CC..SBendtrans44.252.2173.4-59.90000113.7S122 C172S122-S146 WeakPolarHBondContact CA-O 3.31Å; S146-C172 PolarHBondContact N-O 2.92Å
147C98.6Very high98Very high0 Ų034 Ų340%017%0.17CC..  trans-137.5-172.9-170.569.60000113S122 A126 L145S122-C147 WeakPolarHBondContact O-CB 3.25Å; A126-C147 HydrophobicContact CB-CB 4.49Å; L145-C147 VanDerWaalsContact C-N 3.33Å; L145-C147 PolarHBondContact O-N 3.22Å
148W98.5Very high98Very high31 Ų3132.8 Ų32.812%0.11717%0.169CC..  trans-134.7163.817969.7102.8000111.1F76 L78 E87 Q123 A126 P150 I180 T188F76-W148 HydrophobicContact CE2-CZ2 4.4Å; F76-W148 HydrophobicContact CZ-CZ2 4.22Å; L78-W148 HydrophobicContact CD1-CH2 4.02Å; L78-W148 HydrophobicContact CD1-CZ2 3.87Å; E87-W148 PolarHBondContact OE1-NE1 2.86Å; Q123-W148 HydrophobicContact CB-CH2 4.3Å; A126-W148 WeakPolarHBondContact CA-O 3.45Å; A126-W148 HydrophobicContact CB-CD2 3.91Å; A126-W148 HydrophobicContact CB-CE3 4.14Å; A126-W148 HydrophobicContact CB-CG 4.43Å; A126-W148 HydrophobicContact CB-CH2 4.3Å; A126-W148 HydrophobicContact CB-CZ2 4.08Å; A126-W148 HydrophobicContact CB-CZ3 4.32Å; A126-W148 WeakPolarHBondContact CB-O 3.49Å; W148-P150 WeakPolarHBondContact O-CD 3.49Å; W148-I180 HydrophobicContact CE3-CD1 3.83Å; W148-I180 HydrophobicContact CE3-CG1 4.34Å; W148-I180 HydrophobicContact CZ3-CD1 3.7Å; W148-I180 HydrophobicContact CZ3-CG1 4.31Å; W148-T188 VanDerWaalsContact CA-OG1 3.32Å; W148-T188 WeakPolarHBondContact CA-OG1 3.42Å
149L98.5Very high97.9Very high3 Ų327.9 Ų27.92%0.01615%0.149CC..  trans-84.4113.1167175.965.7000109.6L129 L133 H152 F155 T188 K191 I195L129-L149 HydrophobicContact CB-CD1 4.19Å; L133-L149 HydrophobicContact CD1-CD1 3.56Å; L133-L149 HydrophobicContact CD1-CD2 4.47Å; L149-H152 HydrophobicContact CB-CB 4.48Å; L149-H152 HydrophobicContact CD2-CB 4.21Å; L149-H152 HydrophobicContact CG-CB 4.25Å; L149-H152 WeakPolarHBondContact O-CB 3.38Å; L149-F155 HydrophobicContact CD1-CD2 4.45Å; L149-F155 HydrophobicContact CD1-CE2 3.97Å; L149-F155 HydrophobicContact CD1-CZ 4.29Å; L149-F155 HydrophobicContact CD2-CD2 3.96Å; L149-F155 HydrophobicContact CD2-CE2 4.32Å; L149-F155 HydrophobicContact CD2-CG 4.32Å; L149-F155 HydrophobicContact CG-CD2 4.34Å; L149-F155 HydrophobicContact CG-CE2 4.28Å; L149-T188 HydrophobicContact CB-CG2 3.81Å; L149-T188 PolarHBondContact N-OG1 2.85Å; L149-K191 HydrophobicContact CD2-CB 4.43Å; L149-K191 HydrophobicContact CD2-CG 3.78Å; L149-I195 HydrophobicContact CD2-CD1 3.75Å
150P98.3Very high97.6Very high0 Ų031.5 Ų31.50%017%0.174CC..THydrogen-bonded Turntrans-75.5154.6177.433.2-35000110.5E87 I92 A126 Y130 W148 H152E87-P150 WeakPolarHBondContact OE1-CA 3.28Å; E87-P150 VanDerWaalsContact OE1-CB 3.25Å; E87-P150 WeakPolarHBondContact OE1-CB 3.32Å; I92-P150 HydrophobicContact CD1-CB 3.99Å; I92-P150 HydrophobicContact CG2-CG 4.33Å; A126-P150 HydrophobicContact CB-CG 4.26Å; A126-P150 VanDerWaalsContact O-CD 3.24Å; A126-P150 WeakPolarHBondContact O-CD 3.42Å; A126-P150 WeakPolarHBondContact O-CG 3.33Å; Y130-P150 HydrophobicContact CD2-CG 4.31Å; Y130-P150 HydrophobicContact CG-CG 4.26Å; W148-P150 WeakPolarHBondContact O-CD 3.49Å; P150-H152 PolarHBondContact O-N 3.14Å; P150-H152 VanDerWaalsContact O-N 3.15Å
151L97.8Very high97.1Very high21 Ų2135.2 Ų35.211%0.1120%0.196CC..THydrogen-bonded Turntrans53.232.3-176.3-52176000112.5E87 E89 I92 Y130 K153 S154E87-L151 HydrophobicContact CB-CD2 3.92Å; E87-L151 VanDerWaalsContact OE2-CA 3.31Å; E87-L151 WeakPolarHBondContact OE2-CA 3Å; E87-L151 PolarHBondContact OE2-N 2.79Å; E89-L151 HydrophobicContact CB-CD1 4.2Å; E89-L151 HydrophobicContact CB-CD2 3.94Å; E89-L151 HydrophobicContact CG-CD1 3.82Å; E89-L151 HydrophobicContact CG-CD2 4.29Å; I92-L151 HydrophobicContact CB-CD1 4.4Å; I92-L151 HydrophobicContact CD1-CD1 4.36Å; I92-L151 HydrophobicContact CD1-CD2 4.16Å; I92-L151 HydrophobicContact CD1-CG 4.02Å; I92-L151 HydrophobicContact CG2-CD1 4.11Å; Y130-L151 HydrophobicContact CD2-CD1 4.46Å; Y130-L151 HydrophobicContact CE2-CB 4.25Å; Y130-L151 HydrophobicContact CE2-CD1 3.72Å; Y130-L151 HydrophobicContact CE2-CG 4.42Å; L151-K153 PolarHBondContact O-N 2.82Å; L151-S154 WeakPolarHBondContact O-CB 3.48Å; L151-S154 PolarHBondContact O-N 3Å; L151-S154 PolarHBondContact O-OG 3.46Å
152H97.1Very high96.8Very high52 Ų5236.5 Ų36.524%0.24121%0.205CC..G310 helixtrans-54.1-28.4-171.969.1103.3000113.8L149 P150 S154 F155 K191L149-H152 HydrophobicContact CB-CB 4.48Å; L149-H152 HydrophobicContact CD2-CB 4.21Å; L149-H152 HydrophobicContact CG-CB 4.25Å; L149-H152 WeakPolarHBondContact O-CB 3.38Å; P150-H152 PolarHBondContact O-N 3.14Å; P150-H152 VanDerWaalsContact O-N 3.15Å; H152-S154 VanDerWaalsContact C-N 3.27Å; H152-S154 PolarHBondContact O-N 2.92Å; H152-F155 PolarHBondContact O-N 3.2Å; H152-K191 WeakPolarHBondContact O-CE 3.38Å; H152-K191 PolarHBondContact O-NZ 2.96Å
153K96.9Very high96.3Very high145 Ų14538.1 Ų38.163%0.6322%0.222SC*.G310 helixtrans-66.9-24.1177.2-61.6179.5-176.1170.80112.9D84 L151 F155D84-K153 IonicContact OD1-NZ 3.96Å; D84-K153 PolarHBondContact OD1-NZ 3.32Å; L151-K153 PolarHBondContact O-N 2.82Å; K153-F155 VanDerWaalsContact C-N 3.31Å; K153-F155 PolarHBondContact O-N 3.04Å
154S97.3Very high96.2Very high49 Ų4938 Ų3834%0.34322%0.221SC..G310 helixtrans-77.3-13.6176.872.20000114L151 H152 Q157 A158L151-S154 WeakPolarHBondContact O-CB 3.48Å; L151-S154 PolarHBondContact O-N 3Å; L151-S154 PolarHBondContact O-OG 3.46Å; H152-S154 VanDerWaalsContact C-N 3.27Å; H152-S154 PolarHBondContact O-N 2.92Å; S154-Q157 PolarHBondContact O-N 2.93Å; S154-A158 PolarHBondContact O-N 2.99Å
155F97.7Very high96Very high6 Ų646.8 Ų46.83%0.02625%0.254CS..THydrogen-bonded Turntrans-90.2147178.6-70.9-87.7000111.4Y130 L133 T134 L149 H152 K153 A158 A159 K191 I195Y130-F155 AromaticContact CD2-CE2 3.93Å; Y130-F155 HydrophobicContact CD2-CE2 3.93Å; Y130-F155 AromaticContact CD2-CZ 3.91Å; Y130-F155 HydrophobicContact CD2-CZ 3.91Å; Y130-F155 HydrophobicContact CE2-CE2 4.13Å; Y130-F155 HydrophobicContact CE2-CZ 4.13Å; L133-F155 HydrophobicContact CB-CE1 3.79Å; L133-F155 HydrophobicContact CB-CZ 4.19Å; L133-F155 HydrophobicContact CD1-CE1 4.24Å; L133-F155 HydrophobicContact CD1-CZ 4.42Å; T134-F155 HydrophobicContact CG2-CE1 4.29Å; T134-F155 HydrophobicContact CG2-CZ 4.04Å; L149-F155 HydrophobicContact CD1-CD2 4.45Å; L149-F155 HydrophobicContact CD1-CE2 3.97Å; L149-F155 HydrophobicContact CD1-CZ 4.29Å; L149-F155 HydrophobicContact CD2-CD2 3.96Å; L149-F155 HydrophobicContact CD2-CE2 4.32Å; L149-F155 HydrophobicContact CD2-CG 4.32Å; L149-F155 HydrophobicContact CG-CD2 4.34Å; L149-F155 HydrophobicContact CG-CE2 4.28Å; H152-F155 PolarHBondContact O-N 3.2Å; K153-F155 VanDerWaalsContact C-N 3.31Å; K153-F155 PolarHBondContact O-N 3.04Å; F155-A158 HydrophobicContact CD1-CB 4.01Å; F155-A158 HydrophobicContact CD2-CB 4.39Å; F155-A158 HydrophobicContact CE1-CB 3.84Å; F155-A158 HydrophobicContact CE2-CB 4.26Å; F155-A158 HydrophobicContact CG-CB 4.28Å; F155-A158 HydrophobicContact CZ-CB 3.98Å; F155-A159 HydrophobicContact CD1-CB 3.89Å; F155-A159 HydrophobicContact CE1-CB 3.92Å; F155-K191 WeakPolarHBondContact O-CE 3.46Å; F155-K191 PolarHBondContact O-NZ 2.82Å; F155-I195 HydrophobicContact CB-CD1 3.52Å; F155-I195 HydrophobicContact CB-CG1 3.97Å; F155-I195 HydrophobicContact CD1-CD1 3.67Å; F155-I195 HydrophobicContact CD1-CG1 4.21Å; F155-I195 HydrophobicContact CD1-CG2 4.17Å; F155-I195 HydrophobicContact CG-CD1 3.67Å; F155-I195 HydrophobicContact CG-CG1 4.41Å
156P96.3Very high95.9Very high73 Ų7350.8 Ų50.847%0.47428%0.276SS..THydrogen-bonded Turncis-84.4-711.233.4-36.4000115.1A158 A159 I195P156-A158 VanDerWaalsContact C-N 3.3Å; P156-A158 PolarHBondContact O-N 3.33Å; P156-A159 PolarHBondContact O-N 2.92Å; P156-I195 HydrophobicContact CB-CG1 4.36Å
157Q97.3Very high95.9Very high144 Ų14450.9 Ų50.967%0.67328%0.276SS*.G310 helixtrans-58.9-38.4-173.1-170.86035.300113.3S154 A159 S160S154-Q157 PolarHBondContact O-N 2.93Å; Q157-A159 PolarHBondContact O-N 3.38Å; Q157-S160 VanDerWaalsContact O-CB 3.22Å; Q157-S160 WeakPolarHBondContact O-CB 3.21Å; Q157-S160 PolarHBondContact O-N 3.17Å; Q157-S160 PolarHBondContact O-OG 3.27Å
158A95.9Very high95.9Very high31 Ų3151.6 Ų51.626%0.25628%0.281SS..G310 helixtrans-60.3-23.8175.700000113.9S154 F155 P156S154-A158 PolarHBondContact O-N 2.99Å; F155-A158 HydrophobicContact CD1-CB 4.01Å; F155-A158 HydrophobicContact CD2-CB 4.39Å; F155-A158 HydrophobicContact CE1-CB 3.84Å; F155-A158 HydrophobicContact CE2-CB 4.26Å; F155-A158 HydrophobicContact CG-CB 4.28Å; F155-A158 HydrophobicContact CZ-CB 3.98Å; P156-A158 VanDerWaalsContact C-N 3.3Å; P156-A158 PolarHBondContact O-N 3.33Å
159A95.8Very high95.9Very high15 Ų1550.1 Ų50.112%0.12428%0.275CS..G310 helixtrans-94.15.7176.800000113.6L133 F155 P156 Q157 T161 S162 I195L133-A159 WeakPolarHBondContact O-CB 3.32Å; F155-A159 HydrophobicContact CD1-CB 3.89Å; F155-A159 HydrophobicContact CE1-CB 3.92Å; P156-A159 PolarHBondContact O-N 2.92Å; Q157-A159 PolarHBondContact O-N 3.38Å; A159-T161 PolarHBondContact O-N 3.46Å; A159-T161 VanDerWaalsContact O-N 3.15Å; A159-S162 WeakPolarHBondContact O-CB 3.44Å; A159-S162 PolarHBondContact O-N 3.35Å; A159-I195 HydrophobicContact CB-CG2 3.55Å
160S91.6Very high95.9Very high81 Ų8150.2 Ų50.257%0.56628%0.275SS*.THydrogen-bonded Turntrans-59.3-29.8-172.753.50000114.5Q157Q157-S160 VanDerWaalsContact O-CB 3.22Å; Q157-S160 WeakPolarHBondContact O-CB 3.21Å; Q157-S160 PolarHBondContact O-N 3.17Å; Q157-S160 PolarHBondContact O-OG 3.27Å
161T89.6Confident95.9Very high87 Ų8750.2 Ų50.253%0.53428%0.275SS..THydrogen-bonded Turntrans-98.37.7176.863.50000113.2A159A159-T161 PolarHBondContact O-N 3.46Å; A159-T161 VanDerWaalsContact O-N 3.15Å
162S91.5Very high96Very high27 Ų2749.2 Ų49.219%0.18927%0.27CS..  trans-74.1137.3-174.1-170.40000112.3L133 C135 A159 N164L133-S162 WeakPolarHBondContact O-CB 3.48Å; L133-S162 PolarHBondContact O-OG 2.85Å; C135-S162 WeakPolarHBondContact O-CA 3.22Å; C135-S162 PolarHBondContact O-OG 3.3Å; A159-S162 WeakPolarHBondContact O-CB 3.44Å; A159-S162 PolarHBondContact O-N 3.35Å; S162-N164 PolarHBondContact O-N 2.81Å; S162-N164 PolarHBondContact OG-N 3.29Å
163G89.4Confident96.1Very high33 Ų3346.7 Ų46.734%0.3426%0.259SS..SBendtrans-79.8-0.7170.100000113.6C135 Q136C135-G163 PolarHBondContact O-N 2.95Å; C135-G163 VanDerWaalsContact O-N 3.14Å; Q136-G163 WeakPolarHBondContact O-CA 3.32Å; Q136-G163 PolarHBondContact O-N 3.27Å
164N95.4Very high96.2Very high1 Ų139.8 Ų39.81%0.00523%0.229CC..  trans-104.524.7-162.7-69.9-53.5000115.1A132 C135 Q137 Q138 L139 S162 D166 M167A132-N164 PolarHBondContact O-ND2 2.88Å; C135-N164 PolarHBondContact O-ND2 2.9Å; Q137-N164 PolarHBondContact O-ND2 3.03Å; Q137-N164 PolarHBondContact O-OD1 3.42Å; Q138-N164 WeakPolarHBondContact CA-OD1 3.48Å; L139-N164 PolarHBondContact N-OD1 2.91Å; S162-N164 PolarHBondContact O-N 2.81Å; S162-N164 PolarHBondContact OG-N 3.29Å; N164-D166 VanDerWaalsContact C-N 3.26Å; N164-D166 PolarHBondContact O-N 2.99Å; N164-M167 HydrophobicContact CB-CB 3.76Å; N164-M167 HydrophobicContact CB-CE 4.22Å; N164-M167 HydrophobicContact CB-CG 4.4Å; N164-M167 HydrophobicContact CB-SD 3.9Å; N164-M167 WeakPolarHBondContact O-CB 3.4Å; N164-M167 PolarHBondContact O-N 3.35Å; N164-M167 VanDerWaalsContact O-N 3.15Å
165R95Very high96.2Very high183 Ų18341.5 Ų41.569%0.69123%0.231SC*.THydrogen-bonded Turntrans-58.4-35.7179.8-173.6177178.1134.51.1113.3V196 N197R165-V196 CarbonylContact O-C 3.55Å; R165-V196 WeakPolarHBondContact O-CA 3.5Å; R165-V196 WeakPolarHBondContact O-CB 3.47Å; R165-N197 WeakPolarHBondContact O-CB 3.3Å; R165-N197 PolarHBondContact O-N 3.09Å
166D96.9Very high96.3Very high85 Ų8546.4 Ų46.446%0.45526%0.256SS..THydrogen-bonded Turntrans-103.713.1179.5-70.4-60.7000113.6N164 P168 N197 K200N164-D166 VanDerWaalsContact C-N 3.26Å; N164-D166 PolarHBondContact O-N 2.99Å; D166-P168 WeakPolarHBondContact O-CD 3.22Å; D166-N197 WeakPolarHBondContact OD1-CB 3.5Å; D166-N197 PolarHBondContact OD1-ND2 2.91Å; D166-K200 WeakPolarHBondContact O-CG 3.08Å
167M97.8Very high96.3Very high2 Ų243.4 Ų43.41%0.0124%0.235CC..  trans-66.9126-179.8-178.6-171.866.700110.5A132 L139 V142 N164 I169A132-M167 HydrophobicContact CB-CE 3.77Å; A132-M167 HydrophobicContact CB-SD 3.85Å; L139-M167 HydrophobicContact CB-SD 4.01Å; V142-M167 HydrophobicContact CB-CE 4.3Å; V142-M167 HydrophobicContact CG2-CE 3.44Å; V142-M167 VanDerWaalsContact CG2-CE 3.44Å; V142-M167 HydrophobicContact CG2-SD 3.75Å; N164-M167 HydrophobicContact CB-CB 3.76Å; N164-M167 HydrophobicContact CB-CE 4.22Å; N164-M167 HydrophobicContact CB-CG 4.4Å; N164-M167 HydrophobicContact CB-SD 3.9Å; N164-M167 WeakPolarHBondContact O-CB 3.4Å; N164-M167 PolarHBondContact O-N 3.35Å; N164-M167 VanDerWaalsContact O-N 3.15Å; M167-I169 HydrophobicContact CE-CD1 3.99Å; M167-I169 HydrophobicContact CE-CG1 3.88Å
168P98.7Very high96.3Very high15 Ų1540.6 Ų40.610%0.09723%0.23CC..  trans-61.6136.4172.7-21.333000112.5A140 G141 V142 D166 K200 F224 Q228A140-P168 WeakPolarHBondContact O-CD 3.04Å; G141-P168 CarbonylContact C-O 3.58Å; G141-P168 WeakPolarHBondContact CA-O 3.38Å; V142-P168 PolarHBondContact N-O 2.95Å; D166-P168 WeakPolarHBondContact O-CD 3.22Å; P168-K200 WeakPolarHBondContact CA-O 3.32Å; P168-F224 HydrophobicContact CB-CE2 3.76Å; P168-F224 HydrophobicContact CB-CZ 3.68Å; P168-Q228 HydrophobicContact CB-CG 4.1Å; P168-Q228 HydrophobicContact CG-CG 4.17Å
169I98.9Very high96.3Very high0 Ų043.5 Ų43.50%024%0.239CC..EExtended strand (participates in β ladder)trans-127.5121.6174.6-56.5178.8000108.9L129 V142 M167 L192 V196 K200 T202L129-I169 HydrophobicContact CD2-CD1 4.5Å; L129-I169 HydrophobicContact CD2-CG2 4.2Å; V142-I169 HydrophobicContact CB-CG1 4.35Å; V142-I169 HydrophobicContact CB-CG2 4.39Å; V142-I169 WeakPolarHBondContact O-CA 3.35Å; M167-I169 HydrophobicContact CE-CD1 3.99Å; M167-I169 HydrophobicContact CE-CG1 3.88Å; I169-L192 HydrophobicContact CD1-CD1 4.12Å; I169-L192 HydrophobicContact CD1-CD2 4.01Å; I169-L192 HydrophobicContact CG2-CD1 4.2Å; I169-V196 HydrophobicContact CD1-CG2 3.97Å; I169-K200 PolarHBondContact N-O 2.81Å; I169-T202 PolarHBondContact O-N 3.3Å
170L98.9Very high96.3Very high4 Ų443 Ų432%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-98.8115.9162.6175.364.6000108.1V142 V143 A144 T202 R204 V221 F224V142-L170 PolarHBondContact O-N 3.26Å; V143-L170 CarbonylContact C-O 3.52Å; V143-L170 WeakPolarHBondContact CA-O 3.38Å; A144-L170 PolarHBondContact N-O 3.44Å; L170-T202 HydrophobicContact CD1-CG2 3.99Å; L170-R204 HydrophobicContact CD1-CG 4.43Å; L170-V221 HydrophobicContact CD2-CG2 4.13Å; L170-F224 HydrophobicContact CB-CB 4.42Å; L170-F224 HydrophobicContact CB-CD1 3.95Å; L170-F224 HydrophobicContact CB-CD2 3.81Å; L170-F224 HydrophobicContact CB-CE1 4.07Å; L170-F224 HydrophobicContact CB-CE2 3.94Å; L170-F224 HydrophobicContact CB-CG 3.8Å; L170-F224 HydrophobicContact CB-CZ 4.05Å; L170-F224 HydrophobicContact CD2-CB 3.74Å; L170-F224 HydrophobicContact CD2-CD1 4.43Å; L170-F224 HydrophobicContact CD2-CG 4.04Å
171Q98.9Very high96.6Very high0 Ų040.9 Ų40.90%022%0.219CC..EExtended strand (participates in β ladder)trans-110.7128.9171.5-173-176-9.800109.1A144 G185 T202 F203 R204A144-Q171 HydrophobicContact CB-CB 4.4Å; A144-Q171 HydrophobicContact CB-CG 4.25Å; A144-Q171 CarbonylContact O-C 3.48Å; A144-Q171 VanDerWaalsContact O-CA 3.3Å; A144-Q171 WeakPolarHBondContact O-CA 3.31Å; Q171-G185 VanDerWaalsContact NE2-CA 3.3Å; Q171-G185 PolarHBondContact NE2-O 2.81Å; Q171-T202 PolarHBondContact N-O 3.16Å; Q171-F203 HydrophobicContact CB-CD2 3.94Å; Q171-F203 HydrophobicContact CG-CD2 3.75Å; Q171-F203 HydrophobicContact CG-CE2 4.07Å; Q171-F203 CarbonylContact O-C 3.53Å; Q171-F203 VanDerWaalsContact O-CA 3.32Å; Q171-F203 WeakPolarHBondContact O-CA 3.44Å; Q171-R204 PolarHBondContact O-N 3.38Å
172C98.9Very high97Very high0 Ų038 Ų380%020%0.201CC..EExtended strand (participates in β ladder)trans-124.2146.8-179.7-64.90000110.2A144 L145 S146 R204 Y206 E217A144-C172 PolarHBondContact O-N 3.35Å; L145-C172 HydrophobicContact CD2-CB 3.68Å; S146-C172 PolarHBondContact N-O 2.92Å; C172-R204 CarbonylContact C-O 3.55Å; C172-R204 VanDerWaalsContact CA-O 3.28Å; C172-R204 WeakPolarHBondContact CA-O 3.37Å; C172-Y206 HydrophobicContact CB-CD2 4.47Å; C172-Y206 HydrophobicContact CB-CE2 3.76Å; C172-E217 HydrophobicContact CB-CG 3.81Å; C172-E217 WeakPolarHBondContact CB-OE1 3.39Å
173H98.9Very high97.3Very high0 Ų042.3 Ų42.30%022%0.218CC..EExtended strand (participates in β ladder)trans-152.9141.9-179.3-139.5107000112.7D177 I180 V182 F203 R204 T205 Y206H173-D177 IonicContact NE2-OD2 3.54Å; H173-I180 PolarHBondContact NE2-O 3.03Å; H173-V182 HydrophobicContact CB-CG2 4.22Å; H173-F203 HydrophobicContact CB-CE2 3.92Å; H173-F203 HydrophobicContact CB-CZ 4.17Å; H173-R204 PolarHBondContact N-O 3.04Å; H173-T205 CarbonylContact O-C 3.56Å; H173-T205 VanDerWaalsContact O-CA 3.27Å; H173-T205 WeakPolarHBondContact O-CA 3.39Å; H173-Y206 PolarHBondContact O-N 3.33Å
174G98.8Very high97.6Very high0 Ų042.7 Ų42.70%021%0.211CC..EExtended strand (participates in β ladder)trans-78.8133170.600000112.8M176 D177 L209G174-M176 VanDerWaalsContact C-N 3.25Å; G174-M176 PolarHBondContact O-N 2.74Å; G174-D177 WeakPolarHBondContact O-CB 3.3Å; G174-D177 PolarHBondContact O-N 3.21Å; G174-L209 CarbonylContact C-O 3.55Å; G174-L209 WeakPolarHBondContact CA-O 3.38Å
175E98.6Very high97.8Very high85 Ų8542.6 Ų42.640%0.39721%0.21SC..THydrogen-bonded Turntrans-71.6-20.4-178-67.3-177.9-178.400113.6T205 Y206 P207 L209E175-T205 WeakPolarHBondContact OE1-CB 3.28Å; E175-T205 PolarHBondContact OE1-OG1 3.49Å; E175-Y206 PolarHBondContact N-O 3.21Å; E175-Y206 VanDerWaalsContact N-O 3.08Å; E175-P207 WeakPolarHBondContact OE2-CA 3.5Å; E175-L209 PolarHBondContact N-O 3.42Å
176M98.3Very high97.9Very high109 Ų10935.7 Ų35.754%0.53719%0.192SC..THydrogen-bonded Turntrans-107.522.6178.1-56.4-156.7-53.300112.3G174 P178 G208 L209 M210G174-M176 VanDerWaalsContact C-N 3.25Å; G174-M176 PolarHBondContact O-N 2.74Å; M176-P178 WeakPolarHBondContact O-CD 3.3Å; M176-G208 WeakPolarHBondContact CE-O 3.27Å; M176-L209 CarbonylContact C-O 3.55Å; M176-L209 WeakPolarHBondContact CA-O 3.22Å; M176-L209 PolarHBondContact N-O 2.77Å; M176-M210 HydrophobicContact CB-CG 4.1Å; M176-M210 HydrophobicContact CE-CG 4.33Å
177D98.4Very high98Very high9 Ų936.4 Ų36.45%0.04819%0.194CC..  trans-65.7112.5179.7-170.7-29.2000111.2H173 G174 M179 I180 H211H173-D177 IonicContact NE2-OD2 3.54Å; G174-D177 WeakPolarHBondContact O-CB 3.3Å; G174-D177 PolarHBondContact O-N 3.21Å; D177-M179 WeakPolarHBondContact OD1-CA 3.25Å; D177-M179 PolarHBondContact OD1-N 3.42Å; D177-I180 WeakPolarHBondContact CB-O 3.47Å; D177-I180 PolarHBondContact OD1-N 2.64Å; D177-H211 VanDerWaalsContact CG-ND1 3.34Å; D177-H211 WeakPolarHBondContact OD1-CB 3.43Å; D177-H211 IonicContact OD1-CG 3.56Å; D177-H211 IonicContact OD1-ND1 3.24Å; D177-H211 PolarHBondContact OD1-ND1 2.73Å; D177-H211 IonicContact OD2-CE1 3.11Å; D177-H211 IonicContact OD2-CG 3.22Å; D177-H211 IonicContact OD2-ND1 3.66Å; D177-H211 PolarHBondContact OD2-ND1 2.89Å
178P96.7Very high98Very high86 Ų8636.8 Ų36.856%0.55820%0.196SC*.SBendtrans-85.2-12.1-178.936.6-35.7000113M176 M210M176-P178 WeakPolarHBondContact O-CD 3.3Å; P178-M210 HydrophobicContact CG-CE 4.02Å
179M95.6Very high98Very high91 Ų9136.2 Ų36.245%0.44819%0.193SC..SBendtrans-94.3-51.9-174.5-61.3-57.7-63.700110.6L81 D177 H211L81-M179 HydrophobicContact CD1-CE 4Å; D177-M179 WeakPolarHBondContact OD1-CA 3.25Å; D177-M179 PolarHBondContact OD1-N 3.42Å; M179-H211 HydrophobicContact CB-CB 4.01Å; M179-H211 HydrophobicContact CG-CB 3.75Å
180I96.6Very high98Very high4 Ų441.5 Ų41.52%0.02122%0.218CC..SBendtrans-118.894.2174.1-52-59.8000106.4L81 W148 H173 D177 V182 F184L81-I180 HydrophobicContact CD2-CD1 3.92Å; W148-I180 HydrophobicContact CE3-CD1 3.83Å; W148-I180 HydrophobicContact CE3-CG1 4.34Å; W148-I180 HydrophobicContact CZ3-CD1 3.7Å; W148-I180 HydrophobicContact CZ3-CG1 4.31Å; H173-I180 PolarHBondContact NE2-O 3.03Å; D177-I180 WeakPolarHBondContact CB-O 3.47Å; D177-I180 PolarHBondContact OD1-N 2.64Å; I180-V182 PolarHBondContact O-N 3.49Å; I180-F184 HydrophobicContact CG2-CB 4.13Å; I180-F184 HydrophobicContact CG2-CD2 4.21Å
181P97.1Very high97.9Very high38 Ų3843.8 Ų43.825%0.24723%0.227CC..  trans-52.7139.7-178.8-27.334.9000111.7Q183 F184P181-Q183 VanDerWaalsContact CB-OE1 3.26Å; P181-Q183 PolarHBondContact O-N 2.96Å; P181-F184 HydrophobicContact CG-CE1 4.44Å; P181-F184 HydrophobicContact CG-CZ 4.25Å; P181-F184 WeakPolarHBondContact O-CB 3.43Å; P181-F184 PolarHBondContact O-N 3.43Å
182V98.1Very high97.9Very high27 Ų2743.8 Ų43.816%0.16423%0.227CC..Hα-helixtrans-53.8-27.3-177.765.90000113.3H173 I180 F184 G185 A186 F203 T205H173-V182 HydrophobicContact CB-CG2 4.22Å; I180-V182 PolarHBondContact O-N 3.49Å; V182-F184 PolarHBondContact O-N 2.75Å; V182-G185 WeakPolarHBondContact O-CA 3.03Å; V182-G185 PolarHBondContact O-N 2.87Å; V182-G185 VanDerWaalsContact O-N 3.09Å; V182-A186 PolarHBondContact O-N 3.07Å; V182-F203 HydrophobicContact CG2-CZ 4.42Å; V182-T205 HydrophobicContact CG2-CG2 3.88Å
183Q97.8Very high97.8Very high117 Ų11747.9 Ų47.955%0.54725%0.245SC..Hα-helixtrans-58.9-33.3174.2-63.479.8400112P181 A186 M187P181-Q183 VanDerWaalsContact CB-OE1 3.26Å; P181-Q183 PolarHBondContact O-N 2.96Å; Q183-A186 PolarHBondContact O-N 2.79Å; Q183-M187 WeakPolarHBondContact O-CB 3.28Å; Q183-M187 VanDerWaalsContact O-CG 3.25Å; Q183-M187 WeakPolarHBondContact O-CG 3.4Å; Q183-M187 PolarHBondContact O-N 3.16Å
184F96.5Very high97.7Very high40 Ų4052.3 Ų52.318%0.17527%0.272CS..Hα-helixtrans-72.8-36176.6-65.18.3000111.2L81 P83 I180 P181 V182 M187 T188L81-F184 WeakPolarHBondContact O-CE2 3.24Å; P83-F184 HydrophobicContact CG-CD1 3.8Å; P83-F184 HydrophobicContact CG-CD2 4.47Å; P83-F184 HydrophobicContact CG-CE1 3.34Å; P83-F184 HydrophobicContact CG-CE2 4.07Å; P83-F184 HydrophobicContact CG-CG 4.38Å; P83-F184 HydrophobicContact CG-CZ 3.53Å; I180-F184 HydrophobicContact CG2-CB 4.13Å; I180-F184 HydrophobicContact CG2-CD2 4.21Å; P181-F184 HydrophobicContact CG-CE1 4.44Å; P181-F184 HydrophobicContact CG-CZ 4.25Å; P181-F184 WeakPolarHBondContact O-CB 3.43Å; P181-F184 PolarHBondContact O-N 3.43Å; V182-F184 PolarHBondContact O-N 2.75Å; F184-M187 HydrophobicContact CD1-SD 4.5Å; F184-M187 PolarHBondContact O-N 2.89Å; F184-T188 WeakPolarHBondContact O-CB 3.36Å; F184-T188 PolarHBondContact O-N 2.89Å; F184-T188 PolarHBondContact O-OG1 3.04Å
185G97.9Very high97.6Very high0 Ų053.3 Ų53.30%028%0.277CS..Hα-helixtrans-58.2-48.9168.600000110.9Q171 V182 T188 A189Q171-G185 VanDerWaalsContact NE2-CA 3.3Å; Q171-G185 PolarHBondContact NE2-O 2.81Å; V182-G185 WeakPolarHBondContact O-CA 3.03Å; V182-G185 PolarHBondContact O-N 2.87Å; V182-G185 VanDerWaalsContact O-N 3.09Å; G185-T188 WeakPolarHBondContact O-CB 3.5Å; G185-T188 PolarHBondContact O-N 2.98Å; G185-A189 PolarHBondContact O-N 3.25Å
186A98.4Very high97.6Very high38 Ų3849.6 Ų49.631%0.31426%0.26SS..Hα-helixtrans-62.5-44.2177.400000112.8V182 Q183 T188 A189 E190 F203V182-A186 PolarHBondContact O-N 3.07Å; Q183-A186 PolarHBondContact O-N 2.79Å; A186-T188 VanDerWaalsContact C-N 3.27Å; A186-T188 PolarHBondContact O-N 3.45Å; A186-A189 PolarHBondContact O-N 3.13Å; A186-E190 PolarHBondContact O-N 2.76Å; A186-F203 HydrophobicContact CB-CE1 4.14Å; A186-F203 HydrophobicContact CB-CZ 4.47Å
187M98Very high97.5Very high100 Ų10046.3 Ų46.349%0.49325%0.245SC..Hα-helixtrans-60.1-39.4174.6-73.717367.200111.8P83 Q183 F184 K191P83-M187 HydrophobicContact CB-CE 4.3Å; P83-M187 HydrophobicContact CG-CE 4.5Å; Q183-M187 WeakPolarHBondContact O-CB 3.28Å; Q183-M187 VanDerWaalsContact O-CG 3.25Å; Q183-M187 WeakPolarHBondContact O-CG 3.4Å; Q183-M187 PolarHBondContact O-N 3.16Å; F184-M187 HydrophobicContact CD1-SD 4.5Å; F184-M187 PolarHBondContact O-N 2.89Å; M187-K191 WeakPolarHBondContact O-CB 3.42Å; M187-K191 PolarHBondContact O-N 3.48Å
188T98.5Very high97.5Very high9 Ų948.9 Ų48.96%0.05526%0.262CS..Hα-helixtrans-62.6-48.5173.8-66.20000110.7L129 W148 L149 F184 G185 A186 E190 K191 L192L129-T188 HydrophobicContact CD1-CG2 3.91Å; W148-T188 VanDerWaalsContact CA-OG1 3.32Å; W148-T188 WeakPolarHBondContact CA-OG1 3.42Å; L149-T188 HydrophobicContact CB-CG2 3.81Å; L149-T188 PolarHBondContact N-OG1 2.85Å; F184-T188 WeakPolarHBondContact O-CB 3.36Å; F184-T188 PolarHBondContact O-N 2.89Å; F184-T188 PolarHBondContact O-OG1 3.04Å; G185-T188 WeakPolarHBondContact O-CB 3.5Å; G185-T188 PolarHBondContact O-N 2.98Å; A186-T188 VanDerWaalsContact C-N 3.27Å; A186-T188 PolarHBondContact O-N 3.45Å; T188-E190 VanDerWaalsContact C-N 3.34Å; T188-E190 PolarHBondContact O-N 3.32Å; T188-K191 PolarHBondContact O-N 3.36Å; T188-K191 VanDerWaalsContact O-N 3.09Å; T188-L192 HydrophobicContact CG2-CD1 4.17Å; T188-L192 HydrophobicContact CG2-CG 4.37Å; T188-L192 VanDerWaalsContact O-CG 3.3Å; T188-L192 WeakPolarHBondContact O-CG 3.45Å; T188-L192 PolarHBondContact O-N 3.39Å
189A98.6Very high97.5Very high4 Ų452.3 Ų52.33%0.03327%0.271CS..Hα-helixtrans-58.6-43.617800000112.1G185 A186 L192 K193 F203G185-A189 PolarHBondContact O-N 3.25Å; A186-A189 PolarHBondContact O-N 3.13Å; A189-L192 PolarHBondContact O-N 3.5Å; A189-K193 PolarHBondContact O-N 2.93Å; A189-F203 HydrophobicContact CB-CB 4.09Å; A189-F203 HydrophobicContact CB-CD1 4.31Å; A189-F203 HydrophobicContact CB-CD2 4.35Å; A189-F203 HydrophobicContact CB-CG 4.01Å
190E98.3Very high97.6Very high110 Ų11052.1 Ų52.151%0.51427%0.267SS..Hα-helixtrans-63.4-41174.5-69.3-50.2136.600112.1A186 T188 L192 K193A186-E190 PolarHBondContact O-N 2.76Å; T188-E190 VanDerWaalsContact C-N 3.34Å; T188-E190 PolarHBondContact O-N 3.32Å; E190-L192 VanDerWaalsContact C-N 3.31Å; E190-L192 PolarHBondContact O-N 3.1Å; E190-K193 WeakPolarHBondContact O-CB 3.34Å; E190-K193 PolarHBondContact O-N 3.29Å; E190-K193 IonicContact OE1-NZ 2.56Å; E190-K193 PolarHBondContact OE1-NZ 3.25Å; E190-K193 WeakPolarHBondContact OE2-CD 3.36Å; E190-K193 IonicContact OE2-NZ 2.73Å; E190-K193 PolarHBondContact OE2-NZ 3.42Å
191K98.2Very high97.7Very high52 Ų5253 Ų5323%0.22627%0.272CS..Hα-helixtrans-65.5-35.7176.8-172.564.7-175.5-165.40112L149 H152 F155 M187 T188 K193 V194 I195L149-K191 HydrophobicContact CD2-CB 4.43Å; L149-K191 HydrophobicContact CD2-CG 3.78Å; H152-K191 WeakPolarHBondContact O-CE 3.38Å; H152-K191 PolarHBondContact O-NZ 2.96Å; F155-K191 WeakPolarHBondContact O-CE 3.46Å; F155-K191 PolarHBondContact O-NZ 2.82Å; M187-K191 WeakPolarHBondContact O-CB 3.42Å; M187-K191 PolarHBondContact O-N 3.48Å; T188-K191 PolarHBondContact O-N 3.36Å; T188-K191 VanDerWaalsContact O-N 3.09Å; K191-K193 VanDerWaalsContact C-N 3.27Å; K191-K193 PolarHBondContact O-N 2.97Å; K191-V194 HydrophobicContact CD-CG2 4.03Å; K191-V194 WeakPolarHBondContact O-CG2 3.14Å; K191-V194 PolarHBondContact O-N 3.35Å; K191-I195 HydrophobicContact CG-CD1 4.11Å; K191-I195 WeakPolarHBondContact O-CD1 3.39Å; K191-I195 WeakPolarHBondContact O-CG1 3.39Å
192L98.4Very high97.8Very high0 Ų054.1 Ų54.10%028%0.278CS..Hα-helixtrans-62.2-34.5176.9-69.9172.9000112L129 L133 I169 T188 A189 E190 V194 I195 V196 I201L129-L192 HydrophobicContact CD2-CD1 4.21Å; L129-L192 HydrophobicContact CD2-CD2 4.31Å; L133-L192 HydrophobicContact CD1-CD2 3.66Å; L133-L192 HydrophobicContact CD2-CD2 4.35Å; I169-L192 HydrophobicContact CD1-CD1 4.12Å; I169-L192 HydrophobicContact CD1-CD2 4.01Å; I169-L192 HydrophobicContact CG2-CD1 4.2Å; T188-L192 HydrophobicContact CG2-CD1 4.17Å; T188-L192 HydrophobicContact CG2-CG 4.37Å; T188-L192 VanDerWaalsContact O-CG 3.3Å; T188-L192 WeakPolarHBondContact O-CG 3.45Å; T188-L192 PolarHBondContact O-N 3.39Å; A189-L192 PolarHBondContact O-N 3.5Å; E190-L192 VanDerWaalsContact C-N 3.31Å; E190-L192 PolarHBondContact O-N 3.1Å; L192-V194 PolarHBondContact O-N 3.36Å; L192-V194 VanDerWaalsContact O-N 3.14Å; L192-I195 PolarHBondContact O-N 3.04Å; L192-V196 WeakPolarHBondContact O-CG2 3.41Å; L192-V196 PolarHBondContact O-N 3.2Å; L192-I201 VanDerWaalsContact C-CD1 3.44Å; L192-I201 HydrophobicContact CB-CD1 3.58Å; L192-I201 HydrophobicContact CB-CG1 4.37Å
193K96.9Very high97.8Very high87 Ų8756.1 Ų56.138%0.37829%0.285SS..THydrogen-bonded Turntrans-62-21.2178.8-65.2175-170.6169.40114.1A189 E190 K191 P198 I201A189-K193 PolarHBondContact O-N 2.93Å; E190-K193 WeakPolarHBondContact O-CB 3.34Å; E190-K193 PolarHBondContact O-N 3.29Å; E190-K193 IonicContact OE1-NZ 2.56Å; E190-K193 PolarHBondContact OE1-NZ 3.25Å; E190-K193 WeakPolarHBondContact OE2-CD 3.36Å; E190-K193 IonicContact OE2-NZ 2.73Å; E190-K193 PolarHBondContact OE2-NZ 3.42Å; K191-K193 VanDerWaalsContact C-N 3.27Å; K191-K193 PolarHBondContact O-N 2.97Å; K193-P198 HydrophobicContact CB-CB 4.36Å; K193-P198 HydrophobicContact CB-CG 4.17Å; K193-P198 HydrophobicContact CG-CB 4.21Å; K193-P198 WeakPolarHBondContact O-CG 3.49Å; K193-I201 HydrophobicContact CB-CD1 4.34Å; K193-I201 HydrophobicContact CG-CD1 3.83Å
194V96.3Very high97.9Very high92 Ų9255.5 Ų55.556%0.55828%0.277SS*.THydrogen-bonded Turntrans-94.3-3.3175.5-53.90000113.2K191 L192K191-V194 HydrophobicContact CD-CG2 4.03Å; K191-V194 WeakPolarHBondContact O-CG2 3.14Å; K191-V194 PolarHBondContact O-N 3.35Å; L192-V194 PolarHBondContact O-N 3.36Å; L192-V194 VanDerWaalsContact O-N 3.14Å
195I97.2Very high98Very high21 Ų2156.2 Ų56.211%0.10829%0.285CS..THydrogen-bonded Turntrans-110.2-45.6-176.6-56.2165.6000110.7L133 L149 F155 P156 A159 K191 L192L133-I195 HydrophobicContact CD1-CD1 4.37Å; L133-I195 HydrophobicContact CD2-CG2 3.89Å; L149-I195 HydrophobicContact CD2-CD1 3.75Å; F155-I195 HydrophobicContact CB-CD1 3.52Å; F155-I195 HydrophobicContact CB-CG1 3.97Å; F155-I195 HydrophobicContact CD1-CD1 3.67Å; F155-I195 HydrophobicContact CD1-CG1 4.21Å; F155-I195 HydrophobicContact CD1-CG2 4.17Å; F155-I195 HydrophobicContact CG-CD1 3.67Å; F155-I195 HydrophobicContact CG-CG1 4.41Å; P156-I195 HydrophobicContact CB-CG1 4.36Å; A159-I195 HydrophobicContact CB-CG2 3.55Å; K191-I195 HydrophobicContact CG-CD1 4.11Å; K191-I195 WeakPolarHBondContact O-CD1 3.39Å; K191-I195 WeakPolarHBondContact O-CG1 3.39Å; L192-I195 PolarHBondContact O-N 3.04Å
196V97.1Very high98Very high7 Ų757.4 Ų57.44%0.04229%0.29CS..SBendtrans-118.9169.8-179.5-57.10000110.6L133 R165 I169 L192 P198 I201L133-V196 HydrophobicContact CD2-CG1 3.54Å; R165-V196 CarbonylContact O-C 3.55Å; R165-V196 WeakPolarHBondContact O-CA 3.5Å; R165-V196 WeakPolarHBondContact O-CB 3.47Å; I169-V196 HydrophobicContact CD1-CG2 3.97Å; L192-V196 WeakPolarHBondContact O-CG2 3.41Å; L192-V196 PolarHBondContact O-N 3.2Å; V196-P198 VanDerWaalsContact O-CD 3.23Å; V196-P198 WeakPolarHBondContact O-CD 3.37Å; V196-I201 HydrophobicContact CG2-CD1 3.67Å; V196-I201 HydrophobicContact CG2-CG1 3.69Å
197N97.4Very high98Very high41 Ų4160.4 Ų60.422%0.21931%0.306CS..  trans-56.8114.5174.4-177.6-22.6000110.4R165 D166 Q199 K200R165-N197 WeakPolarHBondContact O-CB 3.3Å; R165-N197 PolarHBondContact O-N 3.09Å; D166-N197 WeakPolarHBondContact OD1-CB 3.5Å; D166-N197 PolarHBondContact OD1-ND2 2.91Å; N197-Q199 PolarHBondContact O-N 3.13Å; N197-Q199 VanDerWaalsContact O-N 3.11Å; N197-Q199 WeakPolarHBondContact OD1-CB 3.34Å; N197-Q199 PolarHBondContact OD1-N 3.22Å; N197-Q199 VanDerWaalsContact OD1-N 3.13Å; N197-Q199 PolarHBondContact OD1-OE1 3.17Å; N197-K200 HydrophobicContact CB-CB 4.34Å; N197-K200 HydrophobicContact CB-CG 3.84Å; N197-K200 VanDerWaalsContact O-CB 3.32Å; N197-K200 WeakPolarHBondContact O-CB 3.37Å; N197-K200 PolarHBondContact O-N 3.36Å
198P97.7Very high98Very high63 Ų6357.8 Ų57.841%0.40931%0.305SS..G310 helixtrans-56.8-31-176.2-28.136.1000114.3K193 V196 K200 I201K193-P198 HydrophobicContact CB-CB 4.36Å; K193-P198 HydrophobicContact CB-CG 4.17Å; K193-P198 HydrophobicContact CG-CB 4.21Å; K193-P198 WeakPolarHBondContact O-CG 3.49Å; V196-P198 VanDerWaalsContact O-CD 3.23Å; V196-P198 WeakPolarHBondContact O-CD 3.37Å; P198-K200 PolarHBondContact O-N 3.23Å; P198-I201 PolarHBondContact O-N 3.45Å; P198-I201 VanDerWaalsContact O-N 3.16Å
199Q97.6Very high98Very high158 Ų15858.4 Ų58.474%0.73831%0.308SS*.G310 helixtrans-69.3-11.7179-66.479.9-18.200112.7N197N197-Q199 PolarHBondContact O-N 3.13Å; N197-Q199 VanDerWaalsContact O-N 3.11Å; N197-Q199 WeakPolarHBondContact OD1-CB 3.34Å; N197-Q199 PolarHBondContact OD1-N 3.22Å; N197-Q199 VanDerWaalsContact OD1-N 3.13Å; N197-Q199 PolarHBondContact OD1-OE1 3.17Å
200K97.9Very high98Very high86 Ų8663 Ų6337%0.37433%0.33SS..G310 helixtrans-96.9-4.5177.4-61.8-67-171.9172.70112.8D166 P168 I169 N197 P198D166-K200 WeakPolarHBondContact O-CG 3.08Å; P168-K200 WeakPolarHBondContact CA-O 3.32Å; I169-K200 PolarHBondContact N-O 2.81Å; N197-K200 HydrophobicContact CB-CB 4.34Å; N197-K200 HydrophobicContact CB-CG 3.84Å; N197-K200 VanDerWaalsContact O-CB 3.32Å; N197-K200 WeakPolarHBondContact O-CB 3.37Å; N197-K200 PolarHBondContact O-N 3.36Å; P198-K200 PolarHBondContact O-N 3.23Å
201I98.4Very high98Very high23 Ų2360.1 Ų60.112%0.11832%0.316CS..EExtended strand (participates in β ladder)trans-98.1128.8-179.8-54.6166.3000109.1L192 K193 V196 P198L192-I201 VanDerWaalsContact C-CD1 3.44Å; L192-I201 HydrophobicContact CB-CD1 3.58Å; L192-I201 HydrophobicContact CB-CG1 4.37Å; K193-I201 HydrophobicContact CB-CD1 4.34Å; K193-I201 HydrophobicContact CG-CD1 3.83Å; V196-I201 HydrophobicContact CG2-CD1 3.67Å; V196-I201 HydrophobicContact CG2-CG1 3.69Å; P198-I201 PolarHBondContact O-N 3.45Å; P198-I201 VanDerWaalsContact O-N 3.16Å
202T98.8Very high98Very high61 Ų6160.6 Ų60.637%0.37433%0.326SS..EExtended strand (participates in β ladder)trans-121.8118.7169.1-61.60000108.3I169 L170 Q171 R204I169-T202 PolarHBondContact O-N 3.3Å; L170-T202 HydrophobicContact CD1-CG2 3.99Å; Q171-T202 PolarHBondContact N-O 3.16Å; T202-R204 HydrophobicContact CG2-CG 4.06Å
203F98.8Very high97.9Very high69 Ų6962.4 Ų62.430%0.30334%0.339SS..EExtended strand (participates in β ladder)trans-107.7120.7173-178.9-127.6000109.3Q171 H173 V182 A186 A189 T205Q171-F203 HydrophobicContact CB-CD2 3.94Å; Q171-F203 HydrophobicContact CG-CD2 3.75Å; Q171-F203 HydrophobicContact CG-CE2 4.07Å; Q171-F203 CarbonylContact O-C 3.53Å; Q171-F203 VanDerWaalsContact O-CA 3.32Å; Q171-F203 WeakPolarHBondContact O-CA 3.44Å; H173-F203 HydrophobicContact CB-CE2 3.92Å; H173-F203 HydrophobicContact CB-CZ 4.17Å; V182-F203 HydrophobicContact CG2-CZ 4.42Å; A186-F203 HydrophobicContact CB-CE1 4.14Å; A186-F203 HydrophobicContact CB-CZ 4.47Å; A189-F203 HydrophobicContact CB-CB 4.09Å; A189-F203 HydrophobicContact CB-CD1 4.31Å; A189-F203 HydrophobicContact CB-CD2 4.35Å; A189-F203 HydrophobicContact CB-CG 4.01Å; F203-T205 HydrophobicContact CD1-CG2 4.43Å; F203-T205 HydrophobicContact CE1-CG2 3.68Å; F203-T205 HydrophobicContact CE2-CG2 4.42Å; F203-T205 HydrophobicContact CZ-CG2 3.67Å
204R98.8Very high97.9Very high104 Ų10459.3 Ų59.339%0.39233%0.328SS..EExtended strand (participates in β ladder)trans-117.7133.3177.5-67.3-172.4177-170.42.1109.9L170 Q171 C172 H173 T202 Y206L170-R204 HydrophobicContact CD1-CG 4.43Å; Q171-R204 PolarHBondContact O-N 3.38Å; C172-R204 CarbonylContact C-O 3.55Å; C172-R204 VanDerWaalsContact CA-O 3.28Å; C172-R204 WeakPolarHBondContact CA-O 3.37Å; H173-R204 PolarHBondContact N-O 3.04Å; T202-R204 HydrophobicContact CG2-CG 4.06Å; R204-Y206 HydrophobicContact CB-CE2 3.94Å
205T98.8Very high98Very high56 Ų5659.9 Ų59.934%0.34433%0.333SS..EExtended strand (participates in β ladder)trans-109150171.161.30000110.6H173 E175 V182 F203H173-T205 CarbonylContact O-C 3.56Å; H173-T205 VanDerWaalsContact O-CA 3.27Å; H173-T205 WeakPolarHBondContact O-CA 3.39Å; E175-T205 WeakPolarHBondContact OE1-CB 3.28Å; E175-T205 PolarHBondContact OE1-OG1 3.49Å; V182-T205 HydrophobicContact CG2-CG2 3.88Å; F203-T205 HydrophobicContact CD1-CG2 4.43Å; F203-T205 HydrophobicContact CE1-CG2 3.68Å; F203-T205 HydrophobicContact CE2-CG2 4.42Å; F203-T205 HydrophobicContact CZ-CG2 3.67Å
206Y98.8Very high98Very high24 Ų2464.9 Ų64.99%0.09436%0.356CS..EExtended strand (participates in β ladder)trans-120.9107.6-177.2-65.4-88.3000109.5C172 H173 E175 R204 G208 L209 Q216 E217 A220C172-Y206 HydrophobicContact CB-CD2 4.47Å; C172-Y206 HydrophobicContact CB-CE2 3.76Å; H173-Y206 PolarHBondContact O-N 3.33Å; E175-Y206 PolarHBondContact N-O 3.21Å; E175-Y206 VanDerWaalsContact N-O 3.08Å; R204-Y206 HydrophobicContact CB-CE2 3.94Å; Y206-G208 PolarHBondContact O-N 2.79Å; Y206-L209 HydrophobicContact CD2-CD2 4.37Å; Y206-L209 HydrophobicContact CG-CD2 4.18Å; Y206-L209 WeakPolarHBondContact O-CB 3.48Å; Y206-L209 PolarHBondContact O-N 2.87Å; Y206-Q216 HydrophobicContact CD1-CB 4.23Å; Y206-Q216 HydrophobicContact CE1-CB 3.96Å; Y206-E217 HydrophobicContact CD1-CB 4.4Å; Y206-E217 HydrophobicContact CD2-CB 4.29Å; Y206-E217 HydrophobicContact CD2-CG 4.42Å; Y206-E217 HydrophobicContact CE1-CB 3.97Å; Y206-E217 HydrophobicContact CE2-CB 3.89Å; Y206-E217 HydrophobicContact CE2-CG 3.86Å; Y206-E217 VanDerWaalsContact CZ-CA 3.47Å; Y206-E217 WeakPolarHBondContact OH-CA 3.39Å; Y206-A220 WeakPolarHBondContact OH-CB 3.39Å
207P98.3Very high98.1Very high102 Ų10264.5 Ų64.566%0.66235%0.354SS*.THydrogen-bonded Turntrans-57.6134.1178.4-26.534.5000111.9E175 L209E175-P207 WeakPolarHBondContact OE2-CA 3.5Å; P207-L209 PolarHBondContact O-N 3.37Å
208G97.8Very high98.2Very high45 Ų4563.3 Ų63.346%0.46435%0.347SS..THydrogen-bonded Turntrans75.9-8.6178.600000115.7M176 Y206M176-G208 WeakPolarHBondContact CE-O 3.27Å; Y206-G208 PolarHBondContact O-N 2.79Å
209L98.5Very high98.2Very high21 Ų2162.5 Ų62.511%0.1135%0.346CS..  trans-75.9131.5175.3-177.861.7000110G174 E175 M176 Y206 P207 C214G174-L209 CarbonylContact C-O 3.55Å; G174-L209 WeakPolarHBondContact CA-O 3.38Å; E175-L209 PolarHBondContact N-O 3.42Å; M176-L209 CarbonylContact C-O 3.55Å; M176-L209 WeakPolarHBondContact CA-O 3.22Å; M176-L209 PolarHBondContact N-O 2.77Å; Y206-L209 HydrophobicContact CD2-CD2 4.37Å; Y206-L209 HydrophobicContact CG-CD2 4.18Å; Y206-L209 WeakPolarHBondContact O-CB 3.48Å; Y206-L209 PolarHBondContact O-N 2.87Å; P207-L209 PolarHBondContact O-N 3.37Å; L209-C214 HydrophobicContact CD1-CB 4.03Å; L209-C214 HydrophobicContact CD2-CB 4.35Å
210M98.6Very high98.3Very high102 Ų10255.2 Ų55.250%0.50231%0.312SS..  trans-93-151.3174.9-58.7-178.676.400110.5M176 P178 S212M176-M210 HydrophobicContact CB-CG 4.1Å; M176-M210 HydrophobicContact CE-CG 4.33Å; P178-M210 HydrophobicContact CG-CE 4.02Å; M210-S212 PolarHBondContact O-N 3.29Å
211H98.1Very high98.3Very high49 Ų4951.1 Ų51.123%0.22730%0.295CS..SBendtrans-76.468.7174.9-15958.1000112F121 S122 D177 M179F121-H211 AromaticContact CE1-CD2 3.94Å; F121-H211 AromaticContact CE1-CE1 3.99Å; F121-H211 AromaticContact CE1-NE2 3.57Å; F121-H211 AromaticContact CZ-CD2 3.8Å; F121-H211 AromaticContact CZ-CE1 3.73Å; F121-H211 AromaticContact CZ-CG 3.97Å; F121-H211 AromaticContact CZ-ND1 3.92Å; F121-H211 AromaticContact CZ-NE2 3.67Å; S122-H211 WeakPolarHBondContact CB-NE2 3.5Å; S122-H211 PolarHBondContact OG-CE1 3.47Å; S122-H211 PolarHBondContact OG-NE2 2.96Å; S122-H211 VanDerWaalsContact OG-NE2 3.13Å; D177-H211 VanDerWaalsContact CG-ND1 3.34Å; D177-H211 WeakPolarHBondContact OD1-CB 3.43Å; D177-H211 IonicContact OD1-CG 3.56Å; D177-H211 IonicContact OD1-ND1 3.24Å; D177-H211 PolarHBondContact OD1-ND1 2.73Å; D177-H211 IonicContact OD2-CE1 3.11Å; D177-H211 IonicContact OD2-CG 3.22Å; D177-H211 IonicContact OD2-ND1 3.66Å; D177-H211 PolarHBondContact OD2-ND1 2.89Å; M179-H211 HydrophobicContact CB-CB 4.01Å; M179-H211 HydrophobicContact CG-CB 3.75Å
212S97.3Very high98.3Very high62 Ų6253.9 Ų53.943%0.43431%0.306SS..SBendtrans-156.1-175.9-179.4-168.60000110.1M210M210-S212 PolarHBondContact O-N 3.29Å
213S96.4Very high98.3Very high37 Ų3756.2 Ų56.226%0.25931%0.313SS..  trans-105.5163.1167.965.40000112.3E217S213-E217 WeakPolarHBondContact CA-OE2 3.41Å; S213-E217 WeakPolarHBondContact CB-OE2 3.34Å
214C97.8Very high98.3Very high23 Ų2353.9 Ų53.916%0.15530%0.303CS..  trans-137.5164.1173.373.90000113L209 Q216 E217 M218L209-C214 HydrophobicContact CD1-CB 4.03Å; L209-C214 HydrophobicContact CD2-CB 4.35Å; C214-Q216 VanDerWaalsContact C-N 3.28Å; C214-Q216 PolarHBondContact O-N 3.32Å; C214-E217 WeakPolarHBondContact O-CB 3.33Å; C214-E217 PolarHBondContact O-N 2.98Å; C214-E217 VanDerWaalsContact O-N 3.1Å; C214-E217 PolarHBondContact SG-N 3.37Å; C214-E217 VanDerWaalsContact SG-N 3.4Å; C214-M218 WeakPolarHBondContact O-CG 3.43Å; C214-M218 PolarHBondContact O-N 3.1Å
215P97.6Very high98.3Very high103 Ų10349 Ų4967%0.66928%0.284SS*.Hα-helixtrans-56.6-37.8-179.9-27.836.4000114.3M218 A219P215-M218 PolarHBondContact O-N 3.25Å; P215-A219 WeakPolarHBondContact O-CB 3.19Å; P215-A219 PolarHBondContact O-N 3.08Å
216Q98.4Very high98.3Very high126 Ų12650.5 Ų50.559%0.58929%0.287SS*.Hα-helixtrans-68.6-35.9178.4-6385.7-21.400111.8Y206 C214 A220Y206-Q216 HydrophobicContact CD1-CB 4.23Å; Y206-Q216 HydrophobicContact CE1-CB 3.96Å; C214-Q216 VanDerWaalsContact C-N 3.28Å; C214-Q216 PolarHBondContact O-N 3.32Å; Q216-A220 PolarHBondContact O-N 3.43Å
217E98.6Very high98.3Very high0 Ų056.9 Ų56.90%032%0.315CS..Hα-helixtrans-65.6-48.3172-175.5-176.2-126.200110.7L145 C172 Y206 S213 C214 A219 A220 V221L145-E217 HydrophobicContact CD2-CG 4.28Å; C172-E217 HydrophobicContact CB-CG 3.81Å; C172-E217 WeakPolarHBondContact CB-OE1 3.39Å; Y206-E217 HydrophobicContact CD1-CB 4.4Å; Y206-E217 HydrophobicContact CD2-CB 4.29Å; Y206-E217 HydrophobicContact CD2-CG 4.42Å; Y206-E217 HydrophobicContact CE1-CB 3.97Å; Y206-E217 HydrophobicContact CE2-CB 3.89Å; Y206-E217 HydrophobicContact CE2-CG 3.86Å; Y206-E217 VanDerWaalsContact CZ-CA 3.47Å; Y206-E217 WeakPolarHBondContact OH-CA 3.39Å; S213-E217 WeakPolarHBondContact CA-OE2 3.41Å; S213-E217 WeakPolarHBondContact CB-OE2 3.34Å; C214-E217 WeakPolarHBondContact O-CB 3.33Å; C214-E217 PolarHBondContact O-N 2.98Å; C214-E217 VanDerWaalsContact O-N 3.1Å; C214-E217 PolarHBondContact SG-N 3.37Å; C214-E217 VanDerWaalsContact SG-N 3.4Å; E217-A219 VanDerWaalsContact C-N 3.29Å; E217-A219 PolarHBondContact O-N 3.35Å; E217-A220 WeakPolarHBondContact O-CA 3.2Å; E217-A220 WeakPolarHBondContact O-CB 3.5Å; E217-A220 PolarHBondContact O-N 2.92Å; E217-V221 WeakPolarHBondContact O-CG2 3.27Å; E217-V221 PolarHBondContact O-N 3.4Å
218M98.6Very high98.3Very high16 Ų1654.4 Ų54.48%0.07930%0.295CS..Hα-helixtrans-65.4-31.5179.7-63.3-48.5-50.500113.1W40 T43 M44 I47 C214 P215 V221 K222W40-M218 HydrophobicContact CZ3-SD 4.49Å; T43-M218 HydrophobicContact CG2-CE 3.63Å; T43-M218 HydrophobicContact CG2-CG 4.11Å; T43-M218 HydrophobicContact CG2-SD 3.76Å; M44-M218 HydrophobicContact CE-CE 4.1Å; I47-M218 HydrophobicContact CD1-CE 3.47Å; I47-M218 VanDerWaalsContact CD1-CE 3.47Å; I47-M218 HydrophobicContact CG1-CE 4.14Å; I47-M218 HydrophobicContact CG2-CB 4.17Å; C214-M218 WeakPolarHBondContact O-CG 3.43Å; C214-M218 PolarHBondContact O-N 3.1Å; P215-M218 PolarHBondContact O-N 3.25Å; M218-V221 HydrophobicContact CE-CB 4.24Å; M218-V221 HydrophobicContact CE-CG1 4.21Å; M218-V221 PolarHBondContact O-N 3.47Å; M218-K222 WeakPolarHBondContact O-CB 3.16Å; M218-K222 PolarHBondContact O-N 3.07Å
219A98.6Very high98.3Very high46 Ų4652.3 Ų52.338%0.3827%0.273SS..Hα-helixtrans-62.7-44.4170.200000111.6P215 E217 V221 K222 E223P215-A219 WeakPolarHBondContact O-CB 3.19Å; P215-A219 PolarHBondContact O-N 3.08Å; E217-A219 VanDerWaalsContact C-N 3.29Å; E217-A219 PolarHBondContact O-N 3.35Å; A219-V221 VanDerWaalsContact C-N 3.34Å; A219-V221 PolarHBondContact O-N 3.05Å; A219-K222 WeakPolarHBondContact O-CB 3.44Å; A219-K222 PolarHBondContact O-N 2.99Å; A219-E223 WeakPolarHBondContact O-CG 3.49Å; A219-E223 PolarHBondContact O-N 3.15Å
220A98.8Very high98.3Very high4 Ų454.5 Ų54.53%0.03329%0.289CS..Hα-helixtrans-63.3-39.7175.500000112.4Y206 Q216 E217 F224Y206-A220 WeakPolarHBondContact OH-CB 3.39Å; Q216-A220 PolarHBondContact O-N 3.43Å; E217-A220 WeakPolarHBondContact O-CA 3.2Å; E217-A220 WeakPolarHBondContact O-CB 3.5Å; E217-A220 PolarHBondContact O-N 2.92Å; A220-F224 WeakPolarHBondContact O-CB 3.43Å; A220-F224 PolarHBondContact O-N 3.23Å
221V98.8Very high98.2Very high1 Ų157.5 Ų57.51%0.00629%0.294CS..Hα-helixtrans-61.8-45.9174.4172.80000110.6I47 V143 L145 L170 E217 M218 A219 F224 I225I47-V221 HydrophobicContact CD1-CB 4.33Å; I47-V221 HydrophobicContact CD1-CG1 3.71Å; V143-V221 HydrophobicContact CG1-CB 4.5Å; V143-V221 HydrophobicContact CG1-CG1 4.02Å; V143-V221 HydrophobicContact CG1-CG2 3.74Å; V143-V221 HydrophobicContact CG2-CG1 4.34Å; L145-V221 HydrophobicContact CD2-CG2 3.95Å; L170-V221 HydrophobicContact CD2-CG2 4.13Å; E217-V221 WeakPolarHBondContact O-CG2 3.27Å; E217-V221 PolarHBondContact O-N 3.4Å; M218-V221 HydrophobicContact CE-CB 4.24Å; M218-V221 HydrophobicContact CE-CG1 4.21Å; M218-V221 PolarHBondContact O-N 3.47Å; A219-V221 VanDerWaalsContact C-N 3.34Å; A219-V221 PolarHBondContact O-N 3.05Å; V221-F224 PolarHBondContact O-N 3.15Å; V221-I225 HydrophobicContact CG1-CD1 3.65Å; V221-I225 HydrophobicContact CG1-CG1 4.42Å; V221-I225 VanDerWaalsContact O-CG1 3.31Å; V221-I225 WeakPolarHBondContact O-CG1 3.43Å; V221-I225 PolarHBondContact O-N 3.4Å
222K98.7Very high98Very high80 Ų8063.1 Ų63.135%0.34833%0.325SS..Hα-helixtrans-59.2-51.8176.9-174.6179.2171.8-179.40111.8I47 M218 A219 F224 I225 E226I47-K222 HydrophobicContact CB-CB 3.99Å; I47-K222 HydrophobicContact CB-CD 4.2Å; I47-K222 HydrophobicContact CB-CG 4.18Å; I47-K222 HydrophobicContact CG2-CB 4.15Å; I47-K222 HydrophobicContact CG2-CD 4.39Å; M218-K222 WeakPolarHBondContact O-CB 3.16Å; M218-K222 PolarHBondContact O-N 3.07Å; A219-K222 WeakPolarHBondContact O-CB 3.44Å; A219-K222 PolarHBondContact O-N 2.99Å; K222-F224 PolarHBondContact O-N 3.05Å; K222-I225 PolarHBondContact O-N 3.2Å; K222-E226 WeakPolarHBondContact CE-OE1 3.33Å; K222-E226 HydrophobicContact CG-CG 4.43Å; K222-E226 IonicContact NZ-OE1 3.63Å; K222-E226 WeakPolarHBondContact O-CB 3.21Å; K222-E226 WeakPolarHBondContact O-CG 3.37Å; K222-E226 PolarHBondContact O-N 3.23Å
223E98.8Very high98Very high110 Ų11063.2 Ų63.251%0.51432%0.319SS..Hα-helixtrans-56.7-40.5178-73.7172.8-176.400111.7A219 K227A219-E223 WeakPolarHBondContact O-CG 3.49Å; A219-E223 PolarHBondContact O-N 3.15Å; E223-K227 VanDerWaalsContact O-CB 3.3Å; E223-K227 WeakPolarHBondContact O-CB 3.18Å; E223-K227 PolarHBondContact O-N 2.87Å
224F98.9Very high98.1Very high21 Ų2164.6 Ų64.69%0.09232%0.322CS..Hα-helixtrans-66.2-46.2177.5-179.3-100.1000112M117 V143 P168 L170 A220 V221 K222 K227 Q228M117-F224 HydrophobicContact CE-CD1 3.83Å; M117-F224 HydrophobicContact CE-CE1 3.53Å; M117-F224 HydrophobicContact CE-CZ 4.47Å; M117-F224 HydrophobicContact SD-CD1 4.03Å; M117-F224 HydrophobicContact SD-CE1 3.88Å; V143-F224 HydrophobicContact CG2-CD1 3.62Å; V143-F224 HydrophobicContact CG2-CE1 3.83Å; P168-F224 HydrophobicContact CB-CE2 3.76Å; P168-F224 HydrophobicContact CB-CZ 3.68Å; L170-F224 HydrophobicContact CB-CB 4.42Å; L170-F224 HydrophobicContact CB-CD1 3.95Å; L170-F224 HydrophobicContact CB-CD2 3.81Å; L170-F224 HydrophobicContact CB-CE1 4.07Å; L170-F224 HydrophobicContact CB-CE2 3.94Å; L170-F224 HydrophobicContact CB-CG 3.8Å; L170-F224 HydrophobicContact CB-CZ 4.05Å; L170-F224 HydrophobicContact CD2-CB 3.74Å; L170-F224 HydrophobicContact CD2-CD1 4.43Å; L170-F224 HydrophobicContact CD2-CG 4.04Å; A220-F224 WeakPolarHBondContact O-CB 3.43Å; A220-F224 PolarHBondContact O-N 3.23Å; V221-F224 PolarHBondContact O-N 3.15Å; K222-F224 PolarHBondContact O-N 3.05Å; F224-K227 PolarHBondContact O-N 2.84Å; F224-Q228 HydrophobicContact CD1-CG 4.48Å; F224-Q228 HydrophobicContact CD2-CG 4.27Å; F224-Q228 HydrophobicContact CE1-CG 4.19Å; F224-Q228 HydrophobicContact CE2-CG 3.96Å; F224-Q228 HydrophobicContact CZ-CG 3.93Å; F224-Q228 WeakPolarHBondContact O-CG 3.09Å; F224-Q228 PolarHBondContact O-N 2.88Å
225I98.8Very high98.1Very high2 Ų266.9 Ų66.91%0.0133%0.332CS..Hα-helixtrans-61.8-45.6176.3-68.1163.8000110.5V27 I47 L49 Y54 M117 V221 K222 K227 Q228 L229V27-I225 HydrophobicContact CG2-CD1 4.29Å; V27-I225 HydrophobicContact CG2-CG1 4.45Å; V27-I225 HydrophobicContact CG2-CG2 4.35Å; I47-I225 HydrophobicContact CD1-CD1 4.22Å; L49-I225 HydrophobicContact CD1-CG2 3.73Å; L49-I225 HydrophobicContact CG-CG2 4.31Å; Y54-I225 HydrophobicContact CE1-CD1 4.19Å; M117-I225 HydrophobicContact CE-CG1 4.37Å; M117-I225 HydrophobicContact SD-CG1 3.64Å; V221-I225 HydrophobicContact CG1-CD1 3.65Å; V221-I225 HydrophobicContact CG1-CG1 4.42Å; V221-I225 VanDerWaalsContact O-CG1 3.31Å; V221-I225 WeakPolarHBondContact O-CG1 3.43Å; V221-I225 PolarHBondContact O-N 3.4Å; K222-I225 PolarHBondContact O-N 3.2Å; I225-K227 VanDerWaalsContact C-N 3.3Å; I225-K227 PolarHBondContact O-N 3.22Å; I225-Q228 PolarHBondContact O-N 2.91Å; I225-L229 HydrophobicContact CG2-CD1 4.13Å; I225-L229 WeakPolarHBondContact O-CA 3.23Å; I225-L229 WeakPolarHBondContact O-CB 3.43Å; I225-L229 PolarHBondContact O-N 3.27Å
226E98.4Very high98.2Very high86 Ų8664.8 Ų64.840%0.40231%0.312SS..Hα-helixtrans-57.4-42.9176.4-75.4179168.500112.1L49 K222L49-E226 HydrophobicContact CD1-CB 4.22Å; L49-E226 HydrophobicContact CD1-CG 3.52Å; L49-E226 HydrophobicContact CD2-CG 3.44Å; L49-E226 VanDerWaalsContact CD2-CG 3.44Å; L49-E226 WeakPolarHBondContact CD2-OE1 3.48Å; L49-E226 HydrophobicContact CG-CG 4.09Å; K222-E226 WeakPolarHBondContact CE-OE1 3.33Å; K222-E226 HydrophobicContact CG-CG 4.43Å; K222-E226 IonicContact NZ-OE1 3.63Å; K222-E226 WeakPolarHBondContact O-CB 3.21Å; K222-E226 WeakPolarHBondContact O-CG 3.37Å; K222-E226 PolarHBondContact O-N 3.23Å
227K98.6Very high98.2Very high158 Ų15860.9 Ų60.969%0.68729%0.294SS*.Hα-helixtrans-69-43.2-179.8-176179178.4178.80113E223 F224 I225E223-K227 VanDerWaalsContact O-CB 3.3Å; E223-K227 WeakPolarHBondContact O-CB 3.18Å; E223-K227 PolarHBondContact O-N 2.87Å; F224-K227 PolarHBondContact O-N 2.84Å; I225-K227 VanDerWaalsContact C-N 3.3Å; I225-K227 PolarHBondContact O-N 3.22Å
228Q98.6Very high98.1Very high51 Ų5165 Ų6524%0.23831%0.314CS..Hα-helixtrans-86.8-23.1-175.9-55.4-42.9-41.100113.4M117 P168 F224 I225 P230M117-Q228 HydrophobicContact CE-CB 3.72Å; M117-Q228 HydrophobicContact CE-CG 4.13Å; P168-Q228 HydrophobicContact CB-CG 4.1Å; P168-Q228 HydrophobicContact CG-CG 4.17Å; F224-Q228 HydrophobicContact CD1-CG 4.48Å; F224-Q228 HydrophobicContact CD2-CG 4.27Å; F224-Q228 HydrophobicContact CE1-CG 4.19Å; F224-Q228 HydrophobicContact CE2-CG 3.96Å; F224-Q228 HydrophobicContact CZ-CG 3.93Å; F224-Q228 WeakPolarHBondContact O-CG 3.09Å; F224-Q228 PolarHBondContact O-N 2.88Å; I225-Q228 PolarHBondContact O-N 2.91Å; Q228-P230 WeakPolarHBondContact O-CD 3.46Å
229L98.6Very high98.1Very high0 Ų068.5 Ų68.50%033%0.331CS..SBendtrans-120.660.8179-61.4172.6000110.9A25 V27 H51 V52 R115 M117 A140 I225A25-L229 HydrophobicContact CB-CB 4.2Å; A25-L229 HydrophobicContact CB-CD1 4.07Å; A25-L229 HydrophobicContact CB-CD2 3.86Å; A25-L229 HydrophobicContact CB-CG 4.27Å; V27-L229 HydrophobicContact CG2-CD1 4.08Å; H51-L229 PolarHBondContact NE2-O 3.18Å; V52-L229 HydrophobicContact CG1-CD1 4.37Å; V52-L229 HydrophobicContact CG2-CB 4.36Å; R115-L229 HydrophobicContact CB-CD2 4.4Å; R115-L229 VanDerWaalsContact NH1-C 3.27Å; R115-L229 VanDerWaalsContact NH1-CA 3.35Å; M117-L229 HydrophobicContact CB-CD1 4.09Å; M117-L229 HydrophobicContact CE-CD1 4.31Å; M117-L229 HydrophobicContact CE-CG 4.39Å; A140-L229 HydrophobicContact CB-CD2 3.54Å; A140-L229 HydrophobicContact CB-CG 4.32Å; I225-L229 HydrophobicContact CG2-CD1 4.13Å; I225-L229 WeakPolarHBondContact O-CA 3.23Å; I225-L229 WeakPolarHBondContact O-CB 3.43Å; I225-L229 PolarHBondContact O-N 3.27Å
230P98Very high98.1Very high68 Ų6870.2 Ų70.244%0.44233%0.327SS..  trans-62.3159.2179.128.5-36.2000111.4R115 Q228R115-P230 VanDerWaalsContact CZ-O 3.26Å; R115-P230 PolarHBondContact NH1-O 3.28Å; R115-P230 PolarHBondContact NH2-O 2.98Å; Q228-P230 WeakPolarHBondContact O-CD 3.46Å
231R96.4Very high98Very high164 Ų16475.8 Ų75.862%0.61935%0.352SS*.  trans-65.4140.6174.8-167.9175.8-176.6173.83.2110.2E21E21-R231 IonicContact OE1-CZ 3.73Å; E21-R231 VanDerWaalsContact OE1-CZ 3.27Å; E21-R231 IonicContact OE1-NH1 3.92Å; E21-R231 IonicContact OE1-NH2 2.74Å; E21-R231 PolarHBondContact OE1-NH2 3.17Å; E21-R231 IonicContact OE2-CZ 2.62Å; E21-R231 IonicContact OE2-NE 2.96Å; E21-R231 PolarHBondContact OE2-NE 2.85Å; E21-R231 IonicContact OE2-NH2 2.64Å; E21-R231 PolarHBondContact OE2-NH2 2.87Å
232I93.3Very high97.9Very high168 Ų16882.5 Ų82.586%0.86238%0.383SS*.  trans-129.9017663.7172.2000111T24T24-I232 HydrophobicContact CG2-CD1 4.33Å; T24-I232 HydrophobicContact CG2-CG1 3.95Å

Retrieved 232 of 232 residues in 1373.7 ms (Link to these results)

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