A0A087YBD8_POEFO Loading...

PTB domain-containing engulfment adapter protein 1

AlphaFold DB (A0A3B5QES5), UniProt , Accession A0A087YBD8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 302 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
1M31.4Very low42.7Very low242 Ų242176.9 Ų176.9100%1.19283%0.834SS**  099.20-76.1173-162.500108.7R3M1-R3 PolarHBondContact O-N 3.37Å
2N32.3Very low44.7Very low171 Ų171171.9 Ų171.991%0.91483%0.833SS**  trans-76.1110177.1-71.6-35000108.5A4N2-A4 PolarHBondContact O-N 3.24Å
3R38.6Very low47Very low218 Ų218165.5 Ų165.582%0.82379%0.794SS**  trans-76.494.8180-159.6177.4-170.6175.24.1108.4M1 F5M1-R3 PolarHBondContact O-N 3.37Å; R3-F5 PolarHBondContact O-N 3.31Å
4A37.7Very low49.5Very low85 Ų85159 Ų15970%0.70276%0.764SS**  trans-54123.516900000109.6N2 N6N2-A4 PolarHBondContact O-N 3.24Å; A4-N6 PolarHBondContact O-N 3.25Å
5F42Very low52.1Low218 Ų218150.7 Ų150.796%0.95672%0.724SS**  trans-7467.7171.7-82-91000109.7R3R3-F5 PolarHBondContact O-N 3.31Å
6N43.3Very low54.4Low132 Ų132146.3 Ų146.371%0.70671%0.709SS**  trans-103.995.3163.2-159.7-21.2000108.6A4A4-N6 PolarHBondContact O-N 3.25Å
7R43.3Very low56.4Low201 Ų201141.2 Ų141.276%0.75869%0.691SS**  trans-133.784.9162.4-81.7-172.1168.7-179.8-3.6108.2K9R7-K9 PolarHBondContact O-N 3.45Å
8K47.7Very low58.3Low210 Ų210140.3 Ų140.391%0.91369%0.685SS**  trans-61.188145-76.3-178.6176.9177.50107.2
9K46.1Very low60.1Low157 Ų157134.5 Ų134.568%0.68366%0.662SS**  trans-128.9126.6162.6-134.2-179.2-175.2-174.10102.9R7 K11R7-K9 PolarHBondContact O-N 3.45Å; K9-K11 VanDerWaalsContact C-N 3.26Å; K9-K11 PolarHBondContact O-N 3.3Å
10D48.6Very low61.7Low170 Ų170127.8 Ų127.891%0.90963%0.629SS**  trans-49.698.1173.4-63.2-64.5000107.7S12D10-S12 PolarHBondContact O-N 2.93Å
11K58.3Low63Low142 Ų142122.7 Ų122.762%0.61761%0.607SS**  trans-65.2107.3179.2-90.1175.7169.1177.20102.4K9 W13 D146K9-K11 VanDerWaalsContact C-N 3.26Å; K9-K11 PolarHBondContact O-N 3.3Å; K11-W13 VanDerWaalsContact C-N 3.31Å; K11-W13 PolarHBondContact O-N 3.15Å; K11-D146 IonicContact NZ-OD2 2.79Å; K11-D146 PolarHBondContact NZ-OD2 2.89Å
12S67Low65.7Low117 Ų117118.7 Ų118.782%0.81858%0.582SS**  trans-60.1105168.266.20000105.6D10 M14D10-S12 PolarHBondContact O-N 2.93Å; S12-M14 PolarHBondContact O-N 3.4Å
13W75.2Confident68.6Low88 Ų88116.7 Ų116.733%0.33357%0.567SS.*  trans-67.5124.1178.4-71.89000107.1K11 H15 P17 L147K11-W13 VanDerWaalsContact C-N 3.31Å; K11-W13 PolarHBondContact O-N 3.15Å; W13-H15 WeakPolarHBondContact CB-O 3.43Å; W13-H15 PolarHBondContact O-N 3.07Å; W13-P17 HydrophobicContact CE3-CB 4.04Å; W13-P17 HydrophobicContact CE3-CG 3.55Å; W13-P17 HydrophobicContact CH2-CB 4.35Å; W13-P17 HydrophobicContact CH2-CG 4.19Å; W13-P17 HydrophobicContact CZ3-CB 3.43Å; W13-P17 VanDerWaalsContact CZ3-CB 3.43Å; W13-P17 HydrophobicContact CZ3-CG 3.29Å; W13-L147 HydrophobicContact CE3-CD1 4.2Å; W13-L147 HydrophobicContact CE3-CG 4.39Å; W13-L147 HydrophobicContact CH2-CD1 4.11Å; W13-L147 HydrophobicContact CH2-CD2 3.27Å; W13-L147 HydrophobicContact CH2-CG 3.43Å; W13-L147 VanDerWaalsContact CH2-CG 3.43Å; W13-L147 HydrophobicContact CZ2-CD2 4.49Å; W13-L147 HydrophobicContact CZ2-CG 4.41Å; W13-L147 HydrophobicContact CZ3-CD1 3.52Å; W13-L147 HydrophobicContact CZ3-CD2 3.38Å; W13-L147 HydrophobicContact CZ3-CG 3.39Å
14M82.1Confident71.3Confident75 Ų75112 Ų11237%0.36955%0.551SS.*SBendtrans-51.1-36.8172.9-168.9168.775.300112.5S12 E136 L139 T140S12-M14 PolarHBondContact O-N 3.4Å; M14-E136 HydrophobicContact CE-CB 4.46Å; M14-E136 HydrophobicContact CE-CG 3.45Å; M14-E136 VanDerWaalsContact CE-CG 3.45Å; M14-E136 WeakPolarHBondContact CE-O 3.45Å; M14-E136 HydrophobicContact SD-CB 4.45Å; M14-E136 HydrophobicContact SD-CG 3.44Å; M14-E136 WeakPolarHBondContact SD-CG 3.44Å; M14-L139 HydrophobicContact CE-CB 4.18Å; M14-L139 HydrophobicContact SD-CB 4.45Å; M14-T140 WeakPolarHBondContact CE-OG1 3.25Å
15H87.8Confident74.1Confident34 Ų34108.7 Ų108.716%0.15752%0.521CS..SBendtrans-120.8151.1175.3-57.7-65.9000111.6W13 I25 Y27 T140W13-H15 WeakPolarHBondContact CB-O 3.43Å; W13-H15 PolarHBondContact O-N 3.07Å; H15-I25 HydrophobicContact CB-CD1 3.5Å; H15-I25 WeakPolarHBondContact CD2-CD1 3.48Å; H15-I25 WeakPolarHBondContact ND1-CD1 3.22Å; H15-Y27 PolarHBondContact CE1-OH 2.89Å; H15-Y27 PolarHBondContact NE2-OH 2.9Å; H15-T140 PolarHBondContact NE2-OG1 2.95Å
16T88.9Confident76.7Confident81 Ų81101.8 Ų101.850%0.49750%0.498SS..  trans-64.4143.6174.157.80000110.4E18 A19T16-E18 PolarHBondContact O-N 2.99Å; T16-E18 VanDerWaalsContact O-N 3.09Å; T16-A19 PolarHBondContact O-N 3.45Å; T16-A19 VanDerWaalsContact O-N 3.1Å; T16-A19 WeakPolarHBondContact OG1-CB 3.26Å; T16-A19 PolarHBondContact OG1-N 3.19Å
17P88.8Confident79.3Confident60 Ų6096.2 Ų96.239%0.3947%0.467SS..Hα-helixtrans-47.7-39.3174.6-23.123.5000113.8W13 A21 L147W13-P17 HydrophobicContact CE3-CB 4.04Å; W13-P17 HydrophobicContact CE3-CG 3.55Å; W13-P17 HydrophobicContact CH2-CB 4.35Å; W13-P17 HydrophobicContact CH2-CG 4.19Å; W13-P17 HydrophobicContact CZ3-CB 3.43Å; W13-P17 VanDerWaalsContact CZ3-CB 3.43Å; W13-P17 HydrophobicContact CZ3-CG 3.29Å; P17-A21 WeakPolarHBondContact O-CB 3.49Å; P17-A21 PolarHBondContact O-N 3.33Å; P17-L147 HydrophobicContact CB-CD2 4.28Å
18E89.6Confident81.7Confident125 Ų12591.9 Ų91.958%0.58446%0.459SS*.Hα-helixtrans-71.1-34.4-174.5-66.7159.4166.400112.2T16 A21 K22T16-E18 PolarHBondContact O-N 2.99Å; T16-E18 VanDerWaalsContact O-N 3.09Å; E18-A21 PolarHBondContact O-N 3.29Å; E18-K22 WeakPolarHBondContact O-CB 3.26Å; E18-K22 PolarHBondContact O-N 3.26Å
19A92.3Very high84.1Confident30 Ų3082.2 Ų82.225%0.24842%0.419CS..Hα-helixtrans-62.5-45.2177.200000111.3T16 H23T16-A19 PolarHBondContact O-N 3.45Å; T16-A19 VanDerWaalsContact O-N 3.1Å; T16-A19 WeakPolarHBondContact OG1-CB 3.26Å; T16-A19 PolarHBondContact OG1-N 3.19Å; A19-H23 CarbonylContact O-C 3.12Å; A19-H23 VanDerWaalsContact O-CA 3.31Å; A19-H23 WeakPolarHBondContact O-CA 3.28Å; A19-H23 WeakPolarHBondContact O-CB 3.19Å; A19-H23 PolarHBondContact O-N 3.42Å; A19-H23 VanDerWaalsContact O-N 3.14Å
20L92.1Very high86.5Confident0 Ų077.4 Ų77.40%040%0.397CS..Hα-helixtrans-74.2-31.7176.9-76.8170.7000113I25 I74 I76 T140 Q143 A144 L147L20-I25 HydrophobicContact CD2-CD1 3.6Å; L20-I25 HydrophobicContact CD2-CG1 3.87Å; L20-I25 HydrophobicContact CG-CD1 3.77Å; L20-I25 HydrophobicContact CG-CG1 4.38Å; L20-I74 HydrophobicContact CD2-CG2 4.37Å; L20-I76 HydrophobicContact CB-CG2 4.07Å; L20-I76 PolarHBondContact O-N 2.96Å; L20-T140 HydrophobicContact CD2-CG2 3.92Å; L20-Q143 HydrophobicContact CD1-CB 3.9Å; L20-A144 HydrophobicContact CD2-CB 4.36Å; L20-L147 HydrophobicContact CB-CD1 3.81Å; L20-L147 HydrophobicContact CD1-CD1 3.86Å; L20-L147 HydrophobicContact CG-CD1 4.49Å
21A89.9Confident88.8Confident20 Ų2070.1 Ų70.117%0.16536%0.358CS..Hα-helixtrans-82.5-42.8-17400000113.9P17 E18 I76 Y77P17-A21 WeakPolarHBondContact O-CB 3.49Å; P17-A21 PolarHBondContact O-N 3.33Å; E18-A21 PolarHBondContact O-N 3.29Å; A21-I76 HydrophobicContact CB-CD1 3.91Å; A21-I76 HydrophobicContact CB-CG2 4.48Å; A21-Y77 WeakPolarHBondContact O-CE2 3.47Å; A21-Y77 PolarHBondContact O-OH 2.64Å
22K88.9Confident90.5Very high158 Ų15864.1 Ų64.169%0.68733%0.332SS*.Hα-helixtrans-95.9-29.5-177.7-65.4-179.2-179.9175.30112E18E18-K22 WeakPolarHBondContact O-CB 3.26Å; E18-K22 PolarHBondContact O-N 3.26Å
23H93.2Very high91.9Very high129 Ų12959.2 Ų59.260%0.59730%0.3SS*.SBendtrans-123.5-155.9-172.2-59.535000109.3A19 S75A19-H23 CarbonylContact O-C 3.12Å; A19-H23 VanDerWaalsContact O-CA 3.31Å; A19-H23 WeakPolarHBondContact O-CA 3.28Å; A19-H23 WeakPolarHBondContact O-CB 3.19Å; A19-H23 PolarHBondContact O-N 3.42Å; A19-H23 VanDerWaalsContact O-N 3.14Å; H23-S75 WeakPolarHBondContact O-CB 3.42Å
24Y95.3Very high92.9Very high120 Ų12057.8 Ų57.847%0.47130%0.299SS..  trans-140.4160.1171.457.3-97.1000109.3P26 Q73 I74Y24-P26 HydrophobicContact CD2-CB 4.49Å; Y24-P26 HydrophobicContact CE2-CB 4.35Å; Y24-Q73 HydrophobicContact CD2-CB 3.7Å; Y24-Q73 HydrophobicContact CD2-CG 3.53Å; Y24-Q73 HydrophobicContact CE2-CB 4.34Å; Y24-Q73 HydrophobicContact CE2-CG 3.67Å; Y24-Q73 HydrophobicContact CG-CB 3.92Å; Y24-Q73 HydrophobicContact CG-CG 4.16Å; Y24-I74 CarbonylContact C-O 3.57Å; Y24-I74 VanDerWaalsContact CA-O 3.25Å; Y24-I74 WeakPolarHBondContact CA-O 3.49Å
25I96.4Very high93.6Very high16 Ų1654.9 Ų54.98%0.08229%0.286CS..EExtended strand (participates in β ladder)trans-108112.4178.1-52.9-172000108.1H15 L20 Y27 I74 T140H15-I25 HydrophobicContact CB-CD1 3.5Å; H15-I25 WeakPolarHBondContact CD2-CD1 3.48Å; H15-I25 WeakPolarHBondContact ND1-CD1 3.22Å; L20-I25 HydrophobicContact CD2-CD1 3.6Å; L20-I25 HydrophobicContact CD2-CG1 3.87Å; L20-I25 HydrophobicContact CG-CD1 3.77Å; L20-I25 HydrophobicContact CG-CG1 4.38Å; I25-Y27 HydrophobicContact CB-CE2 4.17Å; I25-Y27 HydrophobicContact CG2-CD2 4.17Å; I25-Y27 HydrophobicContact CG2-CE2 3.41Å; I25-Y27 VanDerWaalsContact CG2-CE2 3.41Å; I25-I74 PolarHBondContact N-O 3.35Å; I25-I74 PolarHBondContact O-N 2.84Å; I25-T140 HydrophobicContact CB-CG2 4.39Å; I25-T140 HydrophobicContact CD1-CG2 3.99Å
26P96Very high94Very high73 Ų7357.9 Ų57.947%0.47430%0.3SS..EExtended strand (participates in β ladder)trans-81.7135.5-178.431.6-32.9000111.6Y24 L72Y24-P26 HydrophobicContact CD2-CB 4.49Å; Y24-P26 HydrophobicContact CE2-CB 4.35Å; P26-L72 CarbonylContact C-O 3.52Å; P26-L72 VanDerWaalsContact CA-O 3.22Å; P26-L72 WeakPolarHBondContact CA-O 3.47Å
27Y96.7Very high94.4Very high15 Ų1554.8 Ų54.86%0.05928%0.281CS..EExtended strand (participates in β ladder)trans-132.5144.1171.2-70.8-81000110.9H15 I25 E71 L72 I74 C133 E136 I137 T140H15-Y27 PolarHBondContact CE1-OH 2.89Å; H15-Y27 PolarHBondContact NE2-OH 2.9Å; I25-Y27 HydrophobicContact CB-CE2 4.17Å; I25-Y27 HydrophobicContact CG2-CD2 4.17Å; I25-Y27 HydrophobicContact CG2-CE2 3.41Å; I25-Y27 VanDerWaalsContact CG2-CE2 3.41Å; Y27-E71 CarbonylContact O-C 3.51Å; Y27-E71 WeakPolarHBondContact O-CA 3.33Å; Y27-L72 PolarHBondContact N-O 3.21Å; Y27-L72 PolarHBondContact O-N 2.93Å; Y27-I74 HydrophobicContact CD2-CD1 3.63Å; Y27-I74 HydrophobicContact CD2-CG1 4.48Å; Y27-I74 HydrophobicContact CE2-CD1 3.86Å; Y27-C133 HydrophobicContact CD1-CB 3.98Å; Y27-C133 HydrophobicContact CE1-CB 4.23Å; Y27-E136 HydrophobicContact CE1-CG 4.29Å; Y27-E136 VanDerWaalsContact CE1-OE1 3.25Å; Y27-E136 WeakPolarHBondContact CE1-OE1 3.4Å; Y27-E136 PolarHBondContact OH-OE1 3.31Å; Y27-I137 HydrophobicContact CD1-CD1 4.11Å; Y27-I137 HydrophobicContact CD1-CG1 3.65Å; Y27-I137 HydrophobicContact CD2-CG1 3.77Å; Y27-I137 HydrophobicContact CE1-CG1 4.08Å; Y27-I137 HydrophobicContact CE2-CG1 4.16Å; Y27-I137 HydrophobicContact CG-CD1 3.95Å; Y27-I137 HydrophobicContact CG-CG1 3.49Å; Y27-I137 VanDerWaalsContact CG-CG1 3.49Å; Y27-T140 HydrophobicContact CE2-CG2 4.22Å; Y27-T140 PolarHBondContact OH-OG1 3.19Å
28N95.7Very high94.6Very high109 Ų10961.5 Ų61.558%0.58331%0.307SS*.EExtended strand (participates in β ladder)trans-98.5133.5170.8-61.2112.2000110.8
29A96.9Very high94.9Very high8 Ų857 Ų577%0.06629%0.291CS..EExtended strand (participates in β ladder)trans-144.6167.3177.300000110.7V70 L72 F111 F128A29-V70 HydrophobicContact CB-CG2 4.43Å; A29-V70 PolarHBondContact N-O 2.95Å; A29-V70 WeakPolarHBondContact O-CG2 3.41Å; A29-V70 PolarHBondContact O-N 3.03Å; A29-L72 HydrophobicContact CB-CD1 3.99Å; A29-F111 HydrophobicContact CB-CE1 4.16Å; A29-F111 HydrophobicContact CB-CZ 4.19Å; A29-F128 HydrophobicContact CB-CB 4.25Å; A29-F128 HydrophobicContact CB-CD1 4.39Å
30K96.1Very high95Very high55 Ų5558 Ų5824%0.23930%0.295CS..EExtended strand (participates in β ladder)trans-98128169.2-63.1169.8-168.6152.90107.8I67 P68 K69 F128 D129 E131K30-I67 HydrophobicContact CB-CB 4.41Å; K30-I67 HydrophobicContact CB-CG2 3.81Å; K30-P68 WeakPolarHBondContact CA-O 3.48Å; K30-K69 HydrophobicContact CG-CG 4.45Å; K30-F128 CarbonylContact O-C 3.58Å; K30-F128 VanDerWaalsContact O-CA 3.31Å; K30-F128 WeakPolarHBondContact O-CA 3.42Å; K30-D129 HydrophobicContact CB-CB 4.22Å; K30-D129 WeakPolarHBondContact CB-O 3.41Å; K30-D129 PolarHBondContact N-O 2.96Å; K30-D129 PolarHBondContact O-N 3.37Å; K30-E131 IonicContact NZ-OE1 3.11Å; K30-E131 PolarHBondContact NZ-OE1 3.49Å
31F96.8Very high95.1Very high17 Ų1765 Ų658%0.07533%0.326CS..EExtended strand (participates in β ladder)trans-90.4112.7-178.8-178.1-133.8000110.3G33 N34 I67 P68 V70 H91 Y126 F128F31-G33 VanDerWaalsContact CE2-C 3.42Å; F31-G33 VanDerWaalsContact CE2-O 3.22Å; F31-G33 WeakPolarHBondContact CE2-O 3.38Å; F31-G33 VanDerWaalsContact CZ-C 3.45Å; F31-N34 HydrophobicContact CZ-CB 4.44Å; F31-I67 WeakPolarHBondContact O-CG2 3.22Å; F31-P68 HydrophobicContact CB-CG 4.39Å; F31-P68 PolarHBondContact N-O 3.3Å; F31-V70 HydrophobicContact CB-CB 4.4Å; F31-V70 HydrophobicContact CB-CG1 3.62Å; F31-V70 HydrophobicContact CB-CG2 3.85Å; F31-V70 HydrophobicContact CG-CG1 4.39Å; F31-H91 AromaticContact CE1-NE2 3.92Å; F31-Y126 AromaticContact CE2-CD1 3.93Å; F31-Y126 HydrophobicContact CE2-CD1 3.93Å; F31-Y126 HydrophobicContact CZ-CD1 4.04Å; F31-F128 HydrophobicContact CB-CD1 4.28Å; F31-F128 HydrophobicContact CB-CE1 4.32Å; F31-F128 AromaticContact CD2-CD1 3.72Å; F31-F128 HydrophobicContact CD2-CD1 3.72Å; F31-F128 AromaticContact CD2-CE1 3.32Å; F31-F128 HydrophobicContact CD2-CE1 3.32Å; F31-F128 AromaticContact CD2-CZ 3.85Å; F31-F128 HydrophobicContact CD2-CZ 3.85Å; F31-F128 AromaticContact CE2-CE1 3.92Å; F31-F128 HydrophobicContact CE2-CE1 3.92Å; F31-F128 AromaticContact CE2-CZ 3.97Å; F31-F128 HydrophobicContact CE2-CZ 3.97Å; F31-F128 HydrophobicContact CG-CD1 4.45Å; F31-F128 HydrophobicContact CG-CE1 4.13Å
32L95.7Very high95.4Very high16 Ų1665.3 Ų65.38%0.08433%0.33CS..EExtended strand (participates in β ladder)trans-75.8-34.8178.2-87.967000110.8K54 I67 I110 V127 D129L32-K54 HydrophobicContact CD2-CG 4.08Å; L32-I67 HydrophobicContact CD1-CD1 4.5Å; L32-I67 HydrophobicContact CD1-CG2 4.36Å; L32-I110 HydrophobicContact CD2-CD1 4.36Å; L32-V127 HydrophobicContact CB-CB 4.3Å; L32-V127 HydrophobicContact CB-CG1 4.21Å; L32-V127 WeakPolarHBondContact CB-O 3.48Å; L32-V127 HydrophobicContact CD2-CG1 3.98Å; L32-V127 PolarHBondContact N-O 3.28Å; L32-D129 HydrophobicContact CD1-CB 3.46Å; L32-D129 VanDerWaalsContact CD1-CB 3.46Å
33G95.6Very high95.6Very high14 Ų1461.3 Ų61.314%0.14432%0.319CS..EExtended strand (participates in β ladder)trans141.1-171178.400000111.8F31 V127F31-G33 VanDerWaalsContact CE2-C 3.42Å; F31-G33 VanDerWaalsContact CE2-O 3.22Å; F31-G33 WeakPolarHBondContact CE2-O 3.38Å; F31-G33 VanDerWaalsContact CZ-C 3.45Å; G33-V127 PolarHBondContact O-N 2.91Å
34N95.6Very high95.6Very high59 Ų5960 Ų6032%0.31631%0.313SS..EExtended strand (participates in β ladder)trans-124.8153.4169.962.172.6000110.1F31 C125 Y126F31-N34 HydrophobicContact CZ-CB 4.44Å; N34-C125 CarbonylContact C-O 3.59Å; N34-C125 WeakPolarHBondContact CA-O 3.3Å; N34-Y126 HydrophobicContact CB-CD1 3.86Å; N34-Y126 HydrophobicContact CB-CD2 4.45Å; N34-Y126 HydrophobicContact CB-CE1 3.96Å; N34-Y126 HydrophobicContact CB-CG 4.11Å
35T96.4Very high95.7Very high13 Ų1356 Ų568%0.0830%0.301CS..EExtended strand (participates in β ladder)trans-140.6147.7172.4-179.40000109.4A49 K52 L53 L124 C125T35-A49 HydrophobicContact CG2-CB 3.56Å; T35-K52 PolarHBondContact OG1-NZ 3.46Å; T35-K52 VanDerWaalsContact OG1-NZ 3.16Å; T35-L53 HydrophobicContact CG2-CD1 4.04Å; T35-L53 HydrophobicContact CG2-CG 4.24Å; T35-L124 WeakPolarHBondContact O-CA 3.41Å; T35-C125 PolarHBondContact N-O 3.17Å; T35-C125 PolarHBondContact O-N 3.39Å
36E97.1Very high95.6Very high97 Ų9755.6 Ų55.645%0.45330%0.3SS..EExtended strand (participates in β ladder)trans-61.7141.4168.3-175.1176.1173.300111K122 H123 L124E36-K122 VanDerWaalsContact CD-CD 3.45Å; E36-K122 HydrophobicContact CG-CB 4.3Å; E36-K122 HydrophobicContact CG-CD 4.38Å; E36-K122 WeakPolarHBondContact OE1-CD 3.36Å; E36-K122 WeakPolarHBondContact OE1-CE 3.12Å; E36-K122 IonicContact OE1-NZ 2.93Å; E36-K122 PolarHBondContact OE1-NZ 3.16Å; E36-K122 IonicContact OE2-NZ 2.78Å; E36-K122 PolarHBondContact OE2-NZ 2.84Å; E36-H123 CarbonylContact C-O 3.59Å; E36-H123 WeakPolarHBondContact CA-O 3.26Å; E36-L124 HydrophobicContact CB-CD2 4.2Å
37V96.9Very high95.6Very high16 Ų1656.2 Ų56.210%0.09730%0.295CS..EExtended strand (participates in β ladder)trans-133.5151.4177-65.80000110.8V45 A49 I114 H123 C125V37-V45 HydrophobicContact CB-CG1 3.57Å; V37-V45 HydrophobicContact CG1-CG1 3.82Å; V37-V45 HydrophobicContact CG2-CG1 4.15Å; V37-A49 HydrophobicContact CG1-CB 3.99Å; V37-I114 HydrophobicContact CG2-CD1 4.35Å; V37-I114 HydrophobicContact CG2-CG2 3.97Å; V37-H123 HydrophobicContact CG2-CB 3.65Å; V37-H123 WeakPolarHBondContact CG2-O 3.26Å; V37-H123 PolarHBondContact N-O 3.36Å; V37-C125 HydrophobicContact CG1-CB 3.56Å; V37-C125 HydrophobicContact CG2-CB 4.29Å
38E94.2Very high95.5Very high201 Ų20159.4 Ų59.494%0.93931%0.313SS*.SBendtrans-77.8-24.2-174.3-62.8179.217700113.4
39A95.7Very high95.6Very high30 Ų3054.4 Ų54.425%0.24829%0.287CS..  trans-129.5148.8-17600000112.8K41 V45A39-K41 PolarHBondContact O-N 3.36Å; A39-V45 HydrophobicContact CB-CG2 4.13Å
40P93.9Very high95.5Very high51 Ų5154.1 Ų54.133%0.33128%0.284SS..SBendtrans-69.6-16.4177.725.6-33.8000113.9S99 F100P40-S99 WeakPolarHBondContact O-CB 3.37Å; P40-S99 PolarHBondContact O-OG 3.46Å; P40-F100 VanDerWaalsContact O-CB 3.31Å; P40-F100 WeakPolarHBondContact O-CB 3.42Å
41K95.1Very high95.5Very high149 Ų14958.9 Ų58.965%0.64830%0.301SS*.SBendtrans-151.7154.4-175.764.7-176.6-179.7-176.40111.1A39 F100A39-K41 PolarHBondContact O-N 3.36Å; K41-F100 HydrophobicContact CB-CB 4.07Å; K41-F100 HydrophobicContact CB-CD2 4.09Å; K41-F100 HydrophobicContact CB-CG 4.08Å
42G94.4Very high95.4Very high25 Ų2564.1 Ų64.126%0.25832%0.323SS..  trans139.6137.4172.500000112.6V46G42-V46 WeakPolarHBondContact O-CG2 3.28Å; G42-V46 PolarHBondContact O-N 3.48Å
43T93Very high95.4Very high75 Ų7563.6 Ų63.646%0.4632%0.321SS..Hα-helixtrans-68.6-36.6179.752.40000112.2V46 K47T43-V46 PolarHBondContact O-N 3.38Å; T43-K47 WeakPolarHBondContact O-CB 3.49Å; T43-K47 VanDerWaalsContact O-CG 3.26Å; T43-K47 WeakPolarHBondContact O-CG 3.49Å; T43-K47 PolarHBondContact O-N 3.22Å
44E94.7Very high95.3Very high101 Ų10166.5 Ų66.547%0.47233%0.329SS..Hα-helixtrans-69.2-40.9179.1-58.9-46.1110.700111.3V46 K47 D48E44-V46 VanDerWaalsContact C-N 3.32Å; E44-V46 PolarHBondContact O-N 3.37Å; E44-K47 PolarHBondContact O-N 2.98Å; E44-K47 IonicContact OE1-NZ 2.88Å; E44-K47 PolarHBondContact OE1-NZ 3.36Å; E44-K47 IonicContact OE2-NZ 2.74Å; E44-D48 PolarHBondContact O-N 3.3Å
45V95.9Very high95.2Very high37 Ų3770.3 Ų70.322%0.22434%0.343CS..Hα-helixtrans-57.6-45.9175-179.80000111.2V37 A39 A49 I114V37-V45 HydrophobicContact CB-CG1 3.57Å; V37-V45 HydrophobicContact CG1-CG1 3.82Å; V37-V45 HydrophobicContact CG2-CG1 4.15Å; A39-V45 HydrophobicContact CB-CG2 4.13Å; V45-A49 WeakPolarHBondContact O-CB 3.49Å; V45-A49 PolarHBondContact O-N 3.04Å; V45-A49 VanDerWaalsContact O-N 3.08Å; V45-I114 HydrophobicContact CG1-CD1 4.44Å
46V95.8Very high95Very high7 Ų774.1 Ų74.14%0.04236%0.36CS..Hα-helixtrans-64.3-46.6175.8169.10000111.5G42 T43 E44 D48 A49 V50 F100 T112 I114G42-V46 WeakPolarHBondContact O-CG2 3.28Å; G42-V46 PolarHBondContact O-N 3.48Å; T43-V46 PolarHBondContact O-N 3.38Å; E44-V46 VanDerWaalsContact C-N 3.32Å; E44-V46 PolarHBondContact O-N 3.37Å; V46-D48 VanDerWaalsContact C-N 3.31Å; V46-D48 PolarHBondContact O-N 2.95Å; V46-A49 WeakPolarHBondContact O-CB 3.15Å; V46-A49 PolarHBondContact O-N 3.42Å; V46-V50 HydrophobicContact CG1-CG2 4.19Å; V46-V50 VanDerWaalsContact O-CG2 3.26Å; V46-V50 WeakPolarHBondContact O-CG2 3.44Å; V46-V50 PolarHBondContact O-N 2.93Å; V46-F100 HydrophobicContact CG2-CD1 3.88Å; V46-F100 HydrophobicContact CG2-CE1 3.87Å; V46-T112 HydrophobicContact CG1-CG2 3.77Å; V46-T112 WeakPolarHBondContact CG1-OG1 3.49Å; V46-I114 HydrophobicContact CG2-CD1 4Å; V46-I114 HydrophobicContact CG2-CG1 4.39Å
47K95Very high94.7Very high85 Ų8570.8 Ų70.837%0.3734%0.344SS..Hα-helixtrans-58.9-42.7178.9-76.7171.2-177.7170.80111.9T43 E44 V50 R51T43-K47 WeakPolarHBondContact O-CB 3.49Å; T43-K47 VanDerWaalsContact O-CG 3.26Å; T43-K47 WeakPolarHBondContact O-CG 3.49Å; T43-K47 PolarHBondContact O-N 3.22Å; E44-K47 PolarHBondContact O-N 2.98Å; E44-K47 IonicContact OE1-NZ 2.88Å; E44-K47 PolarHBondContact OE1-NZ 3.36Å; E44-K47 IonicContact OE2-NZ 2.74Å; K47-V50 PolarHBondContact O-N 3.4Å; K47-R51 WeakPolarHBondContact O-CB 3.25Å; K47-R51 PolarHBondContact O-N 3.47Å
48D95.8Very high94.4Very high82 Ų8276.1 Ų76.144%0.43937%0.367SS..Hα-helixtrans-66.3-42.3179.1-71.5-15.9000111.2E44 V46 R51 K52E44-D48 PolarHBondContact O-N 3.3Å; V46-D48 VanDerWaalsContact C-N 3.31Å; V46-D48 PolarHBondContact O-N 2.95Å; D48-R51 PolarHBondContact O-N 3.29Å; D48-R51 IonicContact OD1-CZ 2.82Å; D48-R51 IonicContact OD1-NH1 3.51Å; D48-R51 PolarHBondContact OD1-NH1 3.42Å; D48-R51 IonicContact OD1-NH2 3.5Å; D48-K52 WeakPolarHBondContact O-CB 3.41Å; D48-K52 PolarHBondContact O-N 3.12Å
49A96.3Very high94.2Very high4 Ų469.9 Ų69.93%0.03334%0.339CS..Hα-helixtrans-60.5-45.8173.400000112.4T35 V37 V45 V46 K52 L53 C125T35-A49 HydrophobicContact CG2-CB 3.56Å; V37-A49 HydrophobicContact CG1-CB 3.99Å; V45-A49 WeakPolarHBondContact O-CB 3.49Å; V45-A49 PolarHBondContact O-N 3.04Å; V45-A49 VanDerWaalsContact O-N 3.08Å; V46-A49 WeakPolarHBondContact O-CB 3.15Å; V46-A49 PolarHBondContact O-N 3.42Å; A49-K52 PolarHBondContact O-N 3.44Å; A49-L53 WeakPolarHBondContact O-CB 3.43Å; A49-L53 PolarHBondContact O-N 3.1Å; A49-C125 HydrophobicContact CB-CB 3.86Å
50V95.9Very high93.9Very high3 Ų371.7 Ų71.72%0.01834%0.342CS..Hα-helixtrans-61.4-45.8176.3171.70000110.6V46 K47 K52 L53 K54 I110 T112 V127V46-V50 HydrophobicContact CG1-CG2 4.19Å; V46-V50 VanDerWaalsContact O-CG2 3.26Å; V46-V50 WeakPolarHBondContact O-CG2 3.44Å; V46-V50 PolarHBondContact O-N 2.93Å; K47-V50 PolarHBondContact O-N 3.4Å; V50-K52 PolarHBondContact O-N 3.09Å; V50-L53 PolarHBondContact O-N 3.28Å; V50-K54 HydrophobicContact CG1-CD 3.92Å; V50-K54 HydrophobicContact CG1-CG 4.27Å; V50-K54 VanDerWaalsContact O-CB 3.3Å; V50-K54 WeakPolarHBondContact O-CB 3.45Å; V50-K54 VanDerWaalsContact O-CG 3.32Å; V50-K54 WeakPolarHBondContact O-CG 3.49Å; V50-K54 PolarHBondContact O-N 3.02Å; V50-I110 HydrophobicContact CG1-CG2 4.13Å; V50-I110 HydrophobicContact CG2-CG2 4Å; V50-T112 HydrophobicContact CG2-CG2 3.61Å; V50-V127 HydrophobicContact CG2-CG1 3.91Å; V50-V127 HydrophobicContact CG2-CG2 3.96Å
51R95.2Very high93.6Very high154 Ų15476.6 Ų76.658%0.58136%0.358SS*.Hα-helixtrans-59.9-47.5178.1-168.9-170.2-59.6115.94.3111.1K47 D48 K54 F55K47-R51 WeakPolarHBondContact O-CB 3.25Å; K47-R51 PolarHBondContact O-N 3.47Å; D48-R51 PolarHBondContact O-N 3.29Å; D48-R51 IonicContact OD1-CZ 2.82Å; D48-R51 IonicContact OD1-NH1 3.51Å; D48-R51 PolarHBondContact OD1-NH1 3.42Å; D48-R51 IonicContact OD1-NH2 3.5Å; R51-K54 PolarHBondContact O-N 2.63Å; R51-F55 PolarHBondContact O-N 3.2Å
52K95.7Very high93.2Very high128 Ų12874 Ų7456%0.55736%0.358SS*.Hα-helixtrans-59.9-47.9178.9-175-178.6179.7-170.90111.8T35 D48 A49 V50 F55 Q56T35-K52 PolarHBondContact OG1-NZ 3.46Å; T35-K52 VanDerWaalsContact OG1-NZ 3.16Å; D48-K52 WeakPolarHBondContact O-CB 3.41Å; D48-K52 PolarHBondContact O-N 3.12Å; A49-K52 PolarHBondContact O-N 3.44Å; V50-K52 PolarHBondContact O-N 3.09Å; K52-F55 PolarHBondContact O-N 3.35Å; K52-Q56 PolarHBondContact O-N 3.18Å
53L95.4Very high92.9Very high5 Ų578.9 Ų78.93%0.02637%0.374CS..Hα-helixtrans-70-36.7179.5-73.8170.4000112.4T35 A49 V50 F55 Q56 R57 V127T35-L53 HydrophobicContact CG2-CD1 4.04Å; T35-L53 HydrophobicContact CG2-CG 4.24Å; A49-L53 WeakPolarHBondContact O-CB 3.43Å; A49-L53 PolarHBondContact O-N 3.1Å; V50-L53 PolarHBondContact O-N 3.28Å; L53-F55 VanDerWaalsContact C-N 3.34Å; L53-F55 PolarHBondContact O-N 3.08Å; L53-Q56 PolarHBondContact O-N 3.22Å; L53-R57 WeakPolarHBondContact O-CB 3.11Å; L53-R57 PolarHBondContact O-N 3.49Å; L53-V127 HydrophobicContact CD1-CB 3.77Å; L53-V127 HydrophobicContact CD1-CG2 3.48Å; L53-V127 VanDerWaalsContact CD1-CG2 3.48Å
54K93.3Very high92.5Very high74 Ų7478.2 Ų78.232%0.32238%0.383SS..Hα-helixtrans-60.8-43.1172.1-79.7-176.5172.6-176.20111.5L32 V50 R51 R57 H58 D107L32-K54 HydrophobicContact CD2-CG 4.08Å; V50-K54 HydrophobicContact CG1-CD 3.92Å; V50-K54 HydrophobicContact CG1-CG 4.27Å; V50-K54 VanDerWaalsContact O-CB 3.3Å; V50-K54 WeakPolarHBondContact O-CB 3.45Å; V50-K54 VanDerWaalsContact O-CG 3.32Å; V50-K54 WeakPolarHBondContact O-CG 3.49Å; V50-K54 PolarHBondContact O-N 3.02Å; R51-K54 PolarHBondContact O-N 2.63Å; K54-R57 PolarHBondContact O-N 3.05Å; K54-H58 PolarHBondContact O-N 2.89Å; K54-D107 IonicContact NZ-OD2 2.69Å; K54-D107 PolarHBondContact NZ-OD2 3.42Å
55F93.8Very high92.3Very high139 Ų13978.4 Ų78.461%0.6138%0.383SS*.Hα-helixtrans-63.5-51.2175.7179.6-100000111.7R51 K52 L53 R57 H58 I59R51-F55 PolarHBondContact O-N 3.2Å; K52-F55 PolarHBondContact O-N 3.35Å; L53-F55 VanDerWaalsContact C-N 3.34Å; L53-F55 PolarHBondContact O-N 3.08Å; F55-R57 PolarHBondContact O-N 3.27Å; F55-H58 WeakPolarHBondContact O-CA 3.46Å; F55-H58 VanDerWaalsContact O-CB 3.28Å; F55-H58 WeakPolarHBondContact O-CB 3.37Å; F55-H58 PolarHBondContact O-N 3.15Å; F55-I59 HydrophobicContact CE1-CD1 4.42Å; F55-I59 HydrophobicContact CE1-CG1 4.18Å; F55-I59 HydrophobicContact CE2-CD1 4.46Å; F55-I59 HydrophobicContact CZ-CD1 4.08Å; F55-I59 HydrophobicContact CZ-CG1 4.33Å; F55-I59 PolarHBondContact O-N 3.24Å
56Q92.9Very high92Very high94 Ų9485.5 Ų85.544%0.43941%0.411SS..Hα-helixtrans-57.5-37176.9-169.1-174.37100111.7K52 L53 H58 I59 K60K52-Q56 PolarHBondContact O-N 3.18Å; L53-Q56 PolarHBondContact O-N 3.22Å; Q56-H58 VanDerWaalsContact C-N 3.34Å; Q56-I59 PolarHBondContact O-N 3.04Å; Q56-K60 WeakPolarHBondContact O-CG 3.18Å; Q56-K60 PolarHBondContact O-N 2.91Å
57R90.3Very high91.7Very high27 Ų2787.6 Ų87.610%0.10242%0.422CS..Hα-helixtrans-67.4-34176.4-167.961.8-110.4-172.5-2.3112.8L53 K54 F55 I59 K60 K61 Q65 K66 I67L53-R57 WeakPolarHBondContact O-CB 3.11Å; L53-R57 PolarHBondContact O-N 3.49Å; K54-R57 PolarHBondContact O-N 3.05Å; F55-R57 PolarHBondContact O-N 3.27Å; R57-I59 VanDerWaalsContact C-N 3.35Å; R57-K60 PolarHBondContact O-N 2.98Å; R57-K61 VanDerWaalsContact O-CB 3.3Å; R57-K61 WeakPolarHBondContact O-CB 3.18Å; R57-K61 PolarHBondContact O-N 3.23Å; R57-Q65 VanDerWaalsContact NH2-CB 3.32Å; R57-Q65 PolarHBondContact NH2-O 3.23Å; R57-K66 PolarHBondContact NH1-O 2.66Å; R57-K66 PolarHBondContact NH2-O 3.24Å; R57-I67 HydrophobicContact CG-CD1 3.86Å; R57-I67 HydrophobicContact CG-CG1 4.09Å
58H89.7Confident91.6Very high128 Ų12886.4 Ų86.459%0.59342%0.423SS*.Hα-helixtrans-62.7-43.1174.6-167.688000111K54 F55 Q56 K61 S62K54-H58 PolarHBondContact O-N 2.89Å; F55-H58 WeakPolarHBondContact O-CA 3.46Å; F55-H58 VanDerWaalsContact O-CB 3.28Å; F55-H58 WeakPolarHBondContact O-CB 3.37Å; F55-H58 PolarHBondContact O-N 3.15Å; Q56-H58 VanDerWaalsContact C-N 3.34Å; H58-K61 WeakPolarHBondContact O-CB 3.48Å; H58-K61 PolarHBondContact O-N 3.11Å; H58-S62 PolarHBondContact O-N 2.96Å; H58-S62 VanDerWaalsContact O-N 3.15Å; H58-S62 PolarHBondContact O-OG 3.37Å
59I90.1Very high91.6Very high69 Ų6989.6 Ų89.635%0.35443%0.433SS..Hα-helixtrans-63.8-48.5175.3-52.6-56.6000111.4F55 Q56 R57 K61 S62 E63F55-I59 HydrophobicContact CE1-CD1 4.42Å; F55-I59 HydrophobicContact CE1-CG1 4.18Å; F55-I59 HydrophobicContact CE2-CD1 4.46Å; F55-I59 HydrophobicContact CZ-CD1 4.08Å; F55-I59 HydrophobicContact CZ-CG1 4.33Å; F55-I59 PolarHBondContact O-N 3.24Å; Q56-I59 PolarHBondContact O-N 3.04Å; R57-I59 VanDerWaalsContact C-N 3.35Å; I59-K61 PolarHBondContact O-N 3.42Å; I59-S62 WeakPolarHBondContact CA-OG 3.22Å; I59-S62 PolarHBondContact O-N 3.2Å; I59-S62 VanDerWaalsContact O-N 3.08Å; I59-S62 PolarHBondContact O-OG 2.85Å; I59-E63 PolarHBondContact O-N 2.96Å
60K89.6Confident91.7Very high69 Ų6989.4 Ų89.430%0.343%0.431SS..Hα-helixtrans-62.2-26.8175.9-70.3179.4177.4175.20112.9Q56 R57 E63 G64 Q65Q56-K60 WeakPolarHBondContact O-CG 3.18Å; Q56-K60 PolarHBondContact O-N 2.91Å; R57-K60 PolarHBondContact O-N 2.98Å; K60-E63 PolarHBondContact O-N 3.44Å; K60-G64 PolarHBondContact O-N 2.99Å; K60-Q65 HydrophobicContact CB-CB 4.39Å; K60-Q65 WeakPolarHBondContact O-CB 3.5Å; K60-Q65 PolarHBondContact O-N 3.4Å
61K88.3Confident91.7Very high153 Ų15390.3 Ų90.367%0.66544%0.435SS*.Hα-helixtrans-71.4-39.3175.6-176.6-176.6176-173.40111.1R57 H58 I59 E63 G64R57-K61 VanDerWaalsContact O-CB 3.3Å; R57-K61 WeakPolarHBondContact O-CB 3.18Å; R57-K61 PolarHBondContact O-N 3.23Å; H58-K61 WeakPolarHBondContact O-CB 3.48Å; H58-K61 PolarHBondContact O-N 3.11Å; I59-K61 PolarHBondContact O-N 3.42Å; K61-E63 PolarHBondContact O-N 2.97Å; K61-G64 PolarHBondContact O-N 3.2Å
62S86.3Confident91.8Very high95 Ų9583.1 Ų83.166%0.66441%0.408SS*.Hα-helixtrans-63.4-27.4171.835.80000112.7H58 I59 G64H58-S62 PolarHBondContact O-N 2.96Å; H58-S62 VanDerWaalsContact O-N 3.15Å; H58-S62 PolarHBondContact O-OG 3.37Å; I59-S62 WeakPolarHBondContact CA-OG 3.22Å; I59-S62 PolarHBondContact O-N 3.2Å; I59-S62 VanDerWaalsContact O-N 3.08Å; I59-S62 PolarHBondContact O-OG 2.85Å; S62-G64 PolarHBondContact O-N 2.69Å
63E88.8Confident91.9Very high127 Ų12778 Ų7859%0.59339%0.386SS*.THydrogen-bonded Turntrans-80.24.4172.8-63.4169.3178.600113.5I59 K60 K61 Q65I59-E63 PolarHBondContact O-N 2.96Å; K60-E63 PolarHBondContact O-N 3.44Å; K61-E63 PolarHBondContact O-N 2.97Å; E63-Q65 VanDerWaalsContact C-N 3.25Å; E63-Q65 PolarHBondContact O-N 3.04Å
64G84.6Confident92Very high61 Ų6177.8 Ų77.863%0.62939%0.385SS*.THydrogen-bonded Turntrans78.10.5178.200000115.1K60 K61 S62K60-G64 PolarHBondContact O-N 2.99Å; K61-G64 PolarHBondContact O-N 3.2Å; S62-G64 PolarHBondContact O-N 2.69Å
65Q88.7Confident92.1Very high105 Ų10574.9 Ų74.949%0.49137%0.374SS..PPolyproline II helixtrans-69.4140.4174.1-66.3-175.8-300110R57 K60 E63R57-Q65 VanDerWaalsContact NH2-CB 3.32Å; R57-Q65 PolarHBondContact NH2-O 3.23Å; K60-Q65 HydrophobicContact CB-CB 4.39Å; K60-Q65 WeakPolarHBondContact O-CB 3.5Å; K60-Q65 PolarHBondContact O-N 3.4Å; E63-Q65 VanDerWaalsContact C-N 3.25Å; E63-Q65 PolarHBondContact O-N 3.04Å
66K89.8Confident92.2Very high187 Ų18769.2 Ų69.281%0.81335%0.35SS*.PPolyproline II helixtrans-94.8161.1172.5-67.5-179.2-179.6174.70110.9R57R57-K66 PolarHBondContact NH1-O 2.66Å; R57-K66 PolarHBondContact NH2-O 3.24Å
67I90.8Very high92.1Very high51 Ų5169.3 Ų69.326%0.26235%0.347SS..PPolyproline II helixtrans-76.4124.8174-45.1-171.2000107.9K30 F31 L32 R57K30-I67 HydrophobicContact CB-CB 4.41Å; K30-I67 HydrophobicContact CB-CG2 3.81Å; F31-I67 WeakPolarHBondContact O-CG2 3.22Å; L32-I67 HydrophobicContact CD1-CD1 4.5Å; L32-I67 HydrophobicContact CD1-CG2 4.36Å; R57-I67 HydrophobicContact CG-CD1 3.86Å; R57-I67 HydrophobicContact CG-CG1 4.09Å
68P93.2Very high92.4Very high60 Ų6068.1 Ų68.139%0.3934%0.343SS..PPolyproline II helixtrans-64.4137.6178.326.2-33000110.4K30 F31K30-P68 WeakPolarHBondContact CA-O 3.48Å; F31-P68 HydrophobicContact CB-CG 4.39Å; F31-P68 PolarHBondContact N-O 3.3Å
69K95.4Very high92.7Very high148 Ų14862.1 Ų62.164%0.64332%0.315SS*.EExtended strand (participates in β ladder)trans-84.2139.1169.4-67.9-176.6179-176.40108.2K30 P84K30-K69 HydrophobicContact CG-CG 4.45Å; K69-P84 HydrophobicContact CB-CG 4.24Å; K69-P84 WeakPolarHBondContact O-CD 3.31Å; K69-P84 WeakPolarHBondContact O-CG 3.45Å
70V97.1Very high93.1Very high1 Ų162.9 Ų62.91%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-129.9155.3179.1-63.70000110.5A29 F31 I81 L82 F128A29-V70 HydrophobicContact CB-CG2 4.43Å; A29-V70 PolarHBondContact N-O 2.95Å; A29-V70 WeakPolarHBondContact O-CG2 3.41Å; A29-V70 PolarHBondContact O-N 3.03Å; F31-V70 HydrophobicContact CB-CB 4.4Å; F31-V70 HydrophobicContact CB-CG1 3.62Å; F31-V70 HydrophobicContact CB-CG2 3.85Å; F31-V70 HydrophobicContact CG-CG1 4.39Å; V70-I81 HydrophobicContact CB-CG2 3.74Å; V70-I81 HydrophobicContact CG1-CG2 3.83Å; V70-I81 HydrophobicContact CG2-CG2 4.04Å; V70-L82 WeakPolarHBondContact CA-O 3.27Å; V70-F128 HydrophobicContact CG2-CD1 4.11Å; V70-F128 HydrophobicContact CG2-CE1 4.12Å
71E97.3Very high93.4Very high22 Ų2259.6 Ų59.610%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-105.2127167.1-177.1169.5113.200109.4Y27 Q73 L82 K87Y27-E71 CarbonylContact O-C 3.51Å; Y27-E71 WeakPolarHBondContact O-CA 3.33Å; E71-Q73 PolarHBondContact OE1-NE2 3.41Å; E71-L82 HydrophobicContact CB-CB 4.45Å; E71-L82 PolarHBondContact N-O 3.39Å; E71-L82 PolarHBondContact O-N 3.49Å; E71-K87 IonicContact OE1-NZ 2.63Å; E71-K87 PolarHBondContact OE1-NZ 3.11Å; E71-K87 IonicContact OE2-NZ 2.84Å; E71-K87 PolarHBondContact OE2-NZ 2.85Å
72L97.5Very high93.9Very high2 Ų252.7 Ų52.71%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-101.6127.6177.5-63.3170.7000108.7P26 Y27 A29 V79 K80 I81 F111 F128P26-L72 CarbonylContact C-O 3.52Å; P26-L72 VanDerWaalsContact CA-O 3.22Å; P26-L72 WeakPolarHBondContact CA-O 3.47Å; Y27-L72 PolarHBondContact N-O 3.21Å; Y27-L72 PolarHBondContact O-N 2.93Å; A29-L72 HydrophobicContact CB-CD1 3.99Å; L72-V79 HydrophobicContact CD2-CG1 4.25Å; L72-K80 CarbonylContact C-O 3.56Å; L72-K80 WeakPolarHBondContact CA-O 3.48Å; L72-I81 HydrophobicContact CD2-CB 4.27Å; L72-I81 HydrophobicContact CD2-CG1 3.78Å; L72-I81 HydrophobicContact CD2-CG2 4.19Å; L72-F111 HydrophobicContact CD1-CE2 3.95Å; L72-F111 HydrophobicContact CD1-CZ 3.44Å; L72-F111 VanDerWaalsContact CD1-CZ 3.44Å; L72-F128 HydrophobicContact CD1-CD1 4.27Å; L72-F128 HydrophobicContact CD1-CE1 4.42Å; L72-F128 HydrophobicContact CD2-CD1 4.39Å; L72-F128 HydrophobicContact CD2-CE1 3.77Å; L72-F128 HydrophobicContact CD2-CZ 4.05Å
73Q97.4Very high94.3Very high21 Ų2150.4 Ų50.410%0.09825%0.253CS..EExtended strand (participates in β ladder)trans-113.3110.1173-65-179.8-9.600108.7Y24 E71 V79 K80 L82Y24-Q73 HydrophobicContact CD2-CB 3.7Å; Y24-Q73 HydrophobicContact CD2-CG 3.53Å; Y24-Q73 HydrophobicContact CE2-CB 4.34Å; Y24-Q73 HydrophobicContact CE2-CG 3.67Å; Y24-Q73 HydrophobicContact CG-CB 3.92Å; Y24-Q73 HydrophobicContact CG-CG 4.16Å; E71-Q73 PolarHBondContact OE1-NE2 3.41Å; Q73-V79 WeakPolarHBondContact O-CA 3.39Å; Q73-K80 HydrophobicContact CB-CB 4.29Å; Q73-K80 PolarHBondContact N-O 3.36Å; Q73-K80 PolarHBondContact O-N 3.48Å; Q73-L82 HydrophobicContact CB-CD1 4.28Å; Q73-L82 HydrophobicContact CG-CD1 3.81Å
74I97.4Very high94.5Very high0 Ų046.2 Ų46.20%024%0.237CC..EExtended strand (participates in β ladder)trans-102.4128.4-176.1-53.1166.8000109.2L20 Y24 I25 Y27 V79 I137 T140 I141 A144L20-I74 HydrophobicContact CD2-CG2 4.37Å; Y24-I74 CarbonylContact C-O 3.57Å; Y24-I74 VanDerWaalsContact CA-O 3.25Å; Y24-I74 WeakPolarHBondContact CA-O 3.49Å; I25-I74 PolarHBondContact N-O 3.35Å; I25-I74 PolarHBondContact O-N 2.84Å; Y27-I74 HydrophobicContact CD2-CD1 3.63Å; Y27-I74 HydrophobicContact CD2-CG1 4.48Å; Y27-I74 HydrophobicContact CE2-CD1 3.86Å; I74-V79 HydrophobicContact CG1-CG1 4.41Å; I74-V79 HydrophobicContact CG1-CG2 4.4Å; I74-V79 HydrophobicContact CG2-CG2 4.41Å; I74-I137 HydrophobicContact CD1-CG2 3.85Å; I74-T140 HydrophobicContact CB-CG2 4.15Å; I74-T140 HydrophobicContact CD1-CG2 4.08Å; I74-T140 HydrophobicContact CG2-CG2 3.87Å; I74-I141 HydrophobicContact CD1-CG1 3.98Å; I74-I141 HydrophobicContact CG1-CG1 4.42Å; I74-I141 HydrophobicContact CG2-CG1 4.07Å; I74-A144 HydrophobicContact CG2-CB 4.35Å
75S96.1Very high94.9Very high13 Ų1352.3 Ų52.39%0.09125%0.246CC..EExtended strand (participates in β ladder)trans-145.7172.417864.90000110.2H23 Y77 G78H23-S75 WeakPolarHBondContact O-CB 3.42Å; S75-Y77 PolarHBondContact O-N 2.79Å; S75-Y77 VanDerWaalsContact O-N 3.07Å; S75-Y77 PolarHBondContact OG-N 3.48Å; S75-G78 PolarHBondContact N-O 2.93Å; S75-G78 PolarHBondContact O-N 3.32Å; S75-G78 PolarHBondContact OG-N 3.24Å; S75-G78 PolarHBondContact OG-O 3.16Å
76I94.1Very high95.1Very high21 Ų2151.1 Ų51.111%0.10825%0.246CC..THydrogen-bonded Turntrans-62.3-13.3172.365.4168.8000113.5L20 A21 L95 L147 A148L20-I76 HydrophobicContact CB-CG2 4.07Å; L20-I76 PolarHBondContact O-N 2.96Å; A21-I76 HydrophobicContact CB-CD1 3.91Å; A21-I76 HydrophobicContact CB-CG2 4.48Å; I76-L95 WeakPolarHBondContact O-CD2 3.3Å; I76-L147 HydrophobicContact CG2-CB 3.72Å; I76-L147 HydrophobicContact CG2-CD1 4.08Å; I76-A148 HydrophobicContact CB-CB 4.21Å; I76-A148 WeakPolarHBondContact O-CB 3.49Å
77Y92.3Very high95.3Very high96 Ų9647 Ų4738%0.37623%0.228SC..THydrogen-bonded Turntrans-89.9-27.3179.9-50.1-63.6000112.3A21 S75 L95 R163A21-Y77 WeakPolarHBondContact O-CE2 3.47Å; A21-Y77 PolarHBondContact O-OH 2.64Å; S75-Y77 PolarHBondContact O-N 2.79Å; S75-Y77 VanDerWaalsContact O-N 3.07Å; S75-Y77 PolarHBondContact OG-N 3.48Å; Y77-L95 PolarHBondContact O-N 3.22Å; Y77-R163 VanDerWaalsContact CE1-NH2 3.3Å; Y77-R163 VanDerWaalsContact CZ-NH2 3.26Å; Y77-R163 PolarHBondContact OH-NH2 3.01Å
78G95Very high95.4Very high2 Ų249.3 Ų49.32%0.02124%0.241CC..EExtended strand (participates in β ladder)trans157.7-173.8-175.900000113.8S75 C93S75-G78 PolarHBondContact N-O 2.93Å; S75-G78 PolarHBondContact O-N 3.32Å; S75-G78 PolarHBondContact OG-N 3.24Å; S75-G78 PolarHBondContact OG-O 3.16Å; G78-C93 CarbonylContact C-O 3.57Å; G78-C93 WeakPolarHBondContact CA-O 3.39Å
79V97.5Very high95.4Very high1 Ų150.1 Ų50.11%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-113.9115.5176.8-177.10000108.3L72 Q73 I74 C93 I98 F113 I141L72-V79 HydrophobicContact CD2-CG1 4.25Å; Q73-V79 WeakPolarHBondContact O-CA 3.39Å; I74-V79 HydrophobicContact CG1-CG1 4.41Å; I74-V79 HydrophobicContact CG1-CG2 4.4Å; I74-V79 HydrophobicContact CG2-CG2 4.41Å; V79-C93 HydrophobicContact CB-CB 4.49Å; V79-C93 PolarHBondContact N-O 3.28Å; V79-C93 WeakPolarHBondContact O-CB 3.34Å; V79-C93 PolarHBondContact O-N 3.41Å; V79-I98 HydrophobicContact CB-CD1 4.18Å; V79-I98 HydrophobicContact CG2-CD1 3.76Å; V79-F113 HydrophobicContact CG1-CE1 4.14Å; V79-F113 HydrophobicContact CG1-CZ 4.35Å; V79-I141 HydrophobicContact CG2-CD1 4.38Å; V79-I141 HydrophobicContact CG2-CG1 4.25Å
80K97.1Very high95.4Very high85 Ų8547 Ų4737%0.3723%0.232SC..EExtended strand (participates in β ladder)trans-96.5137.8171.4-60.8-179.4-179.7-1780109.8L72 Q73 L82 H91L72-K80 CarbonylContact C-O 3.56Å; L72-K80 WeakPolarHBondContact CA-O 3.48Å; Q73-K80 HydrophobicContact CB-CB 4.29Å; Q73-K80 PolarHBondContact N-O 3.36Å; Q73-K80 PolarHBondContact O-N 3.48Å; K80-L82 HydrophobicContact CB-CD1 3.58Å; K80-H91 WeakPolarHBondContact CA-O 3.5Å
81I97.4Very high95.2Very high0 Ų049.6 Ų49.60%024%0.244CC..EExtended strand (participates in β ladder)trans-110.2117.3174.1-46.5-179.3000107.3V70 L72 Q90 H91 F113 Y126 F128V70-I81 HydrophobicContact CB-CG2 3.74Å; V70-I81 HydrophobicContact CG1-CG2 3.83Å; V70-I81 HydrophobicContact CG2-CG2 4.04Å; L72-I81 HydrophobicContact CD2-CB 4.27Å; L72-I81 HydrophobicContact CD2-CG1 3.78Å; L72-I81 HydrophobicContact CD2-CG2 4.19Å; I81-Q90 PolarHBondContact O-N 2.81Å; I81-H91 HydrophobicContact CB-CB 4.06Å; I81-H91 HydrophobicContact CD1-CB 3.79Å; I81-H91 HydrophobicContact CG1-CB 4Å; I81-H91 PolarHBondContact N-O 2.95Å; I81-H91 PolarHBondContact O-N 3.03Å; I81-F113 HydrophobicContact CD1-CZ 4.39Å; I81-Y126 HydrophobicContact CD1-CD1 3.85Å; I81-Y126 HydrophobicContact CD1-CE1 4.14Å; I81-F128 HydrophobicContact CD1-CE1 3.96Å; I81-F128 HydrophobicContact CD1-CZ 3.54Å; I81-F128 HydrophobicContact CG1-CZ 4.32Å; I81-F128 HydrophobicContact CG2-CE1 4.47Å
82L97.3Very high95.1Very high8 Ų853.1 Ų53.14%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-119.7152.8-175.4-60.383.3000111.2V70 E71 Q73 K80 K87 D88 V89V70-L82 WeakPolarHBondContact CA-O 3.27Å; E71-L82 HydrophobicContact CB-CB 4.45Å; E71-L82 PolarHBondContact N-O 3.39Å; E71-L82 PolarHBondContact O-N 3.49Å; Q73-L82 HydrophobicContact CB-CD1 4.28Å; Q73-L82 HydrophobicContact CG-CD1 3.81Å; K80-L82 HydrophobicContact CB-CD1 3.58Å; L82-K87 WeakPolarHBondContact CD2-O 3.17Å; L82-D88 CarbonylContact C-O 3.45Å; L82-D88 WeakPolarHBondContact CA-O 3.06Å; L82-V89 HydrophobicContact CD2-CG2 4.09Å; L82-V89 HydrophobicContact CG-CG2 4.07Å
83D95.3Very high94.9Very high47 Ų4753.2 Ų53.225%0.25126%0.264SS..  trans-68.9127.8163-167.8-60.1000109.4K85 T86 K87 D88D83-K85 PolarHBondContact O-N 2.97Å; D83-K85 WeakPolarHBondContact OD1-CB 3.15Å; D83-K85 PolarHBondContact OD1-N 3.49Å; D83-T86 WeakPolarHBondContact CB-OG1 3.23Å; D83-T86 PolarHBondContact OD1-N 3.39Å; D83-K87 VanDerWaalsContact O-CA 3.23Å; D83-K87 WeakPolarHBondContact O-CA 3.17Å; D83-K87 PolarHBondContact O-N 3Å; D83-D88 PolarHBondContact N-O 2.86Å
84P93.8Very high94.8Very high40 Ų4055 Ų5526%0.2627%0.273SS..THydrogen-bonded Turntrans-65.7-23.7-177.527.1-35.6000113.3K69K69-P84 HydrophobicContact CB-CG 4.24Å; K69-P84 WeakPolarHBondContact O-CD 3.31Å; K69-P84 WeakPolarHBondContact O-CG 3.45Å
85K92.2Very high94.6Very high188 Ų18855.3 Ų55.382%0.81727%0.274SS*.THydrogen-bonded Turntrans-89.3-53.1-177.9-63.6-175.9179.1-175.90112.2D83D83-K85 PolarHBondContact O-N 2.97Å; D83-K85 WeakPolarHBondContact OD1-CB 3.15Å; D83-K85 PolarHBondContact OD1-N 3.49Å
86T93.2Very high94.4Very high81 Ų8160 Ų6050%0.49730%0.295SS..THydrogen-bonded Turntrans-87-18.1-175.265.40000112.7D83 D88D83-T86 WeakPolarHBondContact CB-OG1 3.23Å; D83-T86 PolarHBondContact OD1-N 3.39Å; T86-D88 WeakPolarHBondContact CB-OD2 3.45Å; T86-D88 PolarHBondContact O-N 2.9Å; T86-D88 WeakPolarHBondContact OG1-CB 3.36Å; T86-D88 PolarHBondContact OG1-N 3.43Å; T86-D88 PolarHBondContact OG1-OD2 3.21Å
87K93.3Very high94.4Very high101 Ų10162.3 Ų62.344%0.43930%0.302SS..  trans61.222.1-171.5-54.3-61.3-171.51700113.2E71 L82 D83E71-K87 IonicContact OE1-NZ 2.63Å; E71-K87 PolarHBondContact OE1-NZ 3.11Å; E71-K87 IonicContact OE2-NZ 2.84Å; E71-K87 PolarHBondContact OE2-NZ 2.85Å; L82-K87 WeakPolarHBondContact CD2-O 3.17Å; D83-K87 VanDerWaalsContact O-CA 3.23Å; D83-K87 WeakPolarHBondContact O-CA 3.17Å; D83-K87 PolarHBondContact O-N 3Å
88D93.4Very high94.5Very high99 Ų9958.1 Ų58.153%0.52929%0.286SS..  trans-74.8135.3173.1-64.4-40.7000110.8L82 D83 T86 Q90L82-D88 CarbonylContact C-O 3.45Å; L82-D88 WeakPolarHBondContact CA-O 3.06Å; D83-D88 PolarHBondContact N-O 2.86Å; T86-D88 WeakPolarHBondContact CB-OD2 3.45Å; T86-D88 PolarHBondContact O-N 2.9Å; T86-D88 WeakPolarHBondContact OG1-CB 3.36Å; T86-D88 PolarHBondContact OG1-N 3.43Å; T86-D88 PolarHBondContact OG1-OD2 3.21Å; D88-Q90 PolarHBondContact O-N 3.26Å
89V94.4Very high94.5Very high77 Ų7760.4 Ų60.447%0.46730%0.302SS..EExtended strand (participates in β ladder)trans-78.1106177.4-177.60000109.3L82 N92L82-V89 HydrophobicContact CD2-CG2 4.09Å; L82-V89 HydrophobicContact CG-CG2 4.07Å; V89-N92 HydrophobicContact CG1-CB 4.13Å
90Q93.4Very high94.5Very high83 Ų8363 Ų6339%0.38831%0.313SS..EExtended strand (participates in β ladder)trans-77.7-41.4176.6-61.6-174.825.600111.6I81 D88I81-Q90 PolarHBondContact O-N 2.81Å; D88-Q90 PolarHBondContact O-N 3.26Å
91H94Very high94.4Very high54 Ų5460.2 Ų60.225%0.2530%0.304CS..EExtended strand (participates in β ladder)trans-141.1137.9178.1-58.7-77.2000110.6F31 K80 I81 Y126F31-H91 AromaticContact CE1-NE2 3.92Å; K80-H91 WeakPolarHBondContact CA-O 3.5Å; I81-H91 HydrophobicContact CB-CB 4.06Å; I81-H91 HydrophobicContact CD1-CB 3.79Å; I81-H91 HydrophobicContact CG1-CB 4Å; I81-H91 PolarHBondContact N-O 2.95Å; I81-H91 PolarHBondContact O-N 3.03Å; H91-Y126 HydrophobicContact CB-CE1 4.43Å
92N94.6Very high94.3Very high96 Ų9660.8 Ų60.851%0.51331%0.309SS..EExtended strand (participates in β ladder)trans-121.694.7176.6-175.412.4000109.8V89 Q94V89-N92 HydrophobicContact CG1-CB 4.13Å; N92-Q94 PolarHBondContact O-N 3.43Å
93C94.7Very high94.2Very high4 Ų464.1 Ų64.13%0.02733%0.327CS..EExtended strand (participates in β ladder)trans-91.7103.4-178-62.70000109.8G78 V79 I98 F113 C115G78-C93 CarbonylContact C-O 3.57Å; G78-C93 WeakPolarHBondContact CA-O 3.39Å; V79-C93 HydrophobicContact CB-CB 4.49Å; V79-C93 PolarHBondContact N-O 3.28Å; V79-C93 WeakPolarHBondContact O-CB 3.34Å; V79-C93 PolarHBondContact O-N 3.41Å; C93-I98 HydrophobicContact CB-CD1 3.96Å; C93-I98 HydrophobicContact CB-CG1 4.19Å; C93-F113 HydrophobicContact CB-CE2 4.06Å; C93-F113 HydrophobicContact CB-CZ 4.43Å; C93-C115 HydrophobicContact CB-CB 4.5Å
94Q94.3Very high94.1Very high59 Ų5962.7 Ų62.728%0.27632%0.319SS..EExtended strand (participates in β ladder)trans-64.1134.9177.3-65.8176.1-11.300110.7N92 H96 R97 I98N92-Q94 PolarHBondContact O-N 3.43Å; Q94-H96 VanDerWaalsContact C-N 3.28Å; Q94-H96 PolarHBondContact O-N 2.95Å; Q94-H96 PolarHBondContact OE1-CE1 3.04Å; Q94-H96 PolarHBondContact OE1-NE2 3.5Å; Q94-H96 VanDerWaalsContact OE1-NE2 3.14Å; Q94-R97 HydrophobicContact CB-CG 4.29Å; Q94-R97 WeakPolarHBondContact O-CB 3.5Å; Q94-R97 PolarHBondContact O-N 2.84Å; Q94-I98 PolarHBondContact O-N 3.06Å
95L93.8Very high93.8Very high6 Ų669.4 Ų69.43%0.03134%0.344CS..G310 helixtrans-59.8-38.6-170.8-163.466000112.5I76 Y77 R97 I98 A144 F145 A148I76-L95 WeakPolarHBondContact O-CD2 3.3Å; Y77-L95 PolarHBondContact O-N 3.22Å; L95-R97 PolarHBondContact O-N 2.78Å; L95-R97 VanDerWaalsContact O-N 3.13Å; L95-I98 HydrophobicContact CD1-CD1 4.32Å; L95-I98 PolarHBondContact O-N 2.81Å; L95-A144 HydrophobicContact CD1-CB 4.42Å; L95-A144 HydrophobicContact CD2-CB 4.05Å; L95-A144 WeakPolarHBondContact CD2-O 3.22Å; L95-F145 HydrophobicContact CD1-CD1 4.09Å; L95-F145 HydrophobicContact CD1-CD2 4.47Å; L95-F145 HydrophobicContact CD1-CE1 3.95Å; L95-F145 HydrophobicContact CD1-CE2 4.35Å; L95-F145 HydrophobicContact CD1-CG 4.36Å; L95-F145 HydrophobicContact CD1-CZ 4.1Å; L95-F145 HydrophobicContact CD2-CD1 4.36Å; L95-F145 HydrophobicContact CG-CD1 3.89Å; L95-F145 HydrophobicContact CG-CE1 3.92Å; L95-F145 WeakPolarHBondContact O-CE1 3.32Å; L95-A148 HydrophobicContact CD2-CB 3.52Å
96H90.7Very high93.7Very high112 Ų11266.4 Ų66.452%0.51934%0.342SS..G310 helixtrans-66.6-12.6178.667.4-99.7000114.3Q94Q94-H96 VanDerWaalsContact C-N 3.28Å; Q94-H96 PolarHBondContact O-N 2.95Å; Q94-H96 PolarHBondContact OE1-CE1 3.04Å; Q94-H96 PolarHBondContact OE1-NE2 3.5Å; Q94-H96 VanDerWaalsContact OE1-NE2 3.14Å
97R93.8Very high93.7Very high70 Ų7063.9 Ų63.926%0.26433%0.325SS..G310 helixtrans-98.8-15.7174.7-59.2-172.5178.1-176.3-4.1112.9Q94 L95 S99 C115 K116 S118Q94-R97 HydrophobicContact CB-CG 4.29Å; Q94-R97 WeakPolarHBondContact O-CB 3.5Å; Q94-R97 PolarHBondContact O-N 2.84Å; L95-R97 PolarHBondContact O-N 2.78Å; L95-R97 VanDerWaalsContact O-N 3.13Å; R97-S99 PolarHBondContact O-N 2.97Å; R97-C115 WeakPolarHBondContact O-CA 3.34Å; R97-K116 HydrophobicContact CB-CB 4.45Å; R97-K116 PolarHBondContact O-N 3.4Å; R97-S118 PolarHBondContact NH1-OG 3.25Å
98I96Very high93.7Very high7 Ų767.7 Ų67.74%0.03634%0.342CS..EExtended strand (participates in β ladder)trans-76.2122.3173.1-54.8176.6000106.6V79 C93 Q94 L95 F113 I114 C115 F145V79-I98 HydrophobicContact CB-CD1 4.18Å; V79-I98 HydrophobicContact CG2-CD1 3.76Å; C93-I98 HydrophobicContact CB-CD1 3.96Å; C93-I98 HydrophobicContact CB-CG1 4.19Å; Q94-I98 PolarHBondContact O-N 3.06Å; L95-I98 HydrophobicContact CD1-CD1 4.32Å; L95-I98 PolarHBondContact O-N 2.81Å; I98-F113 HydrophobicContact CD1-CD2 4.26Å; I98-F113 HydrophobicContact CD1-CE2 4.43Å; I98-F113 HydrophobicContact CG1-CD2 4.36Å; I98-F113 HydrophobicContact CG2-CB 3.97Å; I98-F113 HydrophobicContact CG2-CD2 4.13Å; I98-F113 HydrophobicContact CG2-CG 4.36Å; I98-I114 CarbonylContact C-O 3.58Å; I98-I114 VanDerWaalsContact CA-O 3.31Å; I98-I114 WeakPolarHBondContact CA-O 3.5Å; I98-I114 WeakPolarHBondContact CG2-O 3.44Å; I98-C115 HydrophobicContact CG1-CB 4.2Å; I98-F145 HydrophobicContact CB-CE1 4.26Å; I98-F145 HydrophobicContact CB-CZ 3.61Å; I98-F145 HydrophobicContact CG2-CE2 4.13Å; I98-F145 HydrophobicContact CG2-CZ 3.58Å; I98-F145 VanDerWaalsContact O-CE1 3.27Å; I98-F145 WeakPolarHBondContact O-CE1 3.46Å; I98-F145 VanDerWaalsContact O-CZ 3.26Å; I98-F145 WeakPolarHBondContact O-CZ 3.31Å
99S94.9Very high93.7Very high51 Ų5168 Ų6836%0.35734%0.336SS..EExtended strand (participates in β ladder)trans-105.7-25.1-172.140.60000112.5P40 R97 I114P40-S99 WeakPolarHBondContact O-CB 3.37Å; P40-S99 PolarHBondContact O-OG 3.46Å; R97-S99 PolarHBondContact O-N 2.97Å; S99-I114 PolarHBondContact N-O 2.93Å; S99-I114 PolarHBondContact OG-O 2.87Å
100F96.4Very high93.8Very high55 Ų5564.4 Ų64.424%0.24131%0.313CS..EExtended strand (participates in β ladder)trans-153.8144.5-178.2-169.4-117.9000110.5P40 K41 V46 A102 F113 I114P40-F100 VanDerWaalsContact O-CB 3.31Å; P40-F100 WeakPolarHBondContact O-CB 3.42Å; K41-F100 HydrophobicContact CB-CB 4.07Å; K41-F100 HydrophobicContact CB-CD2 4.09Å; K41-F100 HydrophobicContact CB-CG 4.08Å; V46-F100 HydrophobicContact CG2-CD1 3.88Å; V46-F100 HydrophobicContact CG2-CE1 3.87Å; F100-A102 HydrophobicContact CD1-CB 4.34Å; F100-A102 HydrophobicContact CE1-CB 3.59Å; F100-A102 HydrophobicContact CZ-CB 3.93Å; F100-F113 CarbonylContact O-C 3.47Å; F100-F113 WeakPolarHBondContact O-CA 3.27Å; F100-F113 WeakPolarHBondContact O-CB 3.33Å; F100-I114 HydrophobicContact CB-CB 4.3Å; F100-I114 HydrophobicContact CB-CD1 4.25Å; F100-I114 HydrophobicContact CB-CG1 4.41Å; F100-I114 HydrophobicContact CD1-CD1 4.19Å; F100-I114 PolarHBondContact O-N 3Å
101C96.4Very high94Very high26 Ų2660.5 Ų60.518%0.17630%0.295CS..EExtended strand (participates in β ladder)trans-136.4143.2167.7640000108.9T112 F113 I141C101-T112 CarbonylContact C-O 3.57Å; C101-T112 VanDerWaalsContact CA-O 3.29Å; C101-T112 WeakPolarHBondContact CA-O 3.29Å; C101-F113 HydrophobicContact CB-CB 3.96Å; C101-I141 HydrophobicContact CB-CG2 3.99Å
102A95.3Very high94.2Very high13 Ų1358 Ų5811%0.10728%0.284CS..EExtended strand (participates in β ladder)trans-157.5143.1-176.400000111.6F100 F111 T112F100-A102 HydrophobicContact CD1-CB 4.34Å; F100-A102 HydrophobicContact CE1-CB 3.59Å; F100-A102 HydrophobicContact CZ-CB 3.93Å; A102-F111 CarbonylContact O-C 3.59Å; A102-F111 WeakPolarHBondContact O-CA 3.19Å; A102-T112 PolarHBondContact N-O 3.39Å; A102-T112 PolarHBondContact O-N 2.87Å; A102-T112 PolarHBondContact O-OG1 2.62Å
103D95.1Very high94.4Very high77 Ų7753.4 Ų53.441%0.41226%0.259SS..EExtended strand (participates in β ladder)trans-83.7154.1163.663.6-55000111
104D92.2Very high94.5Very high18 Ų1853.2 Ų53.210%0.09626%0.258CS..  trans-87.3123.7174.8-169.1-58.3000110.6T106 D107 I110D104-T106 VanDerWaalsContact C-N 3.25Å; D104-T106 PolarHBondContact O-N 3.33Å; D104-T106 WeakPolarHBondContact OD1-CA 3.49Å; D104-T106 WeakPolarHBondContact OD1-CB 3.5Å; D104-T106 PolarHBondContact OD1-N 2.63Å; D104-T106 PolarHBondContact OD1-OG1 2.93Å; D104-D107 CarbonylContact O-C 3.54Å; D104-D107 PolarHBondContact OD1-N 2.81Å; D104-I110 HydrophobicContact CB-CB 3.74Å; D104-I110 HydrophobicContact CB-CG2 4.05Å; D104-I110 PolarHBondContact N-O 2.88Å
105K88.3Confident94.6Very high181 Ų18150.8 Ų50.879%0.78725%0.247SC*.SBendtrans-66.9-25.3-179.2-62.9-173.4179.6-179.70113.8
106T90Very high94.7Very high124 Ų12454.5 Ų54.576%0.76126%0.263SS*.SBendtrans-92.1-34.2-177.567.90000112.2D104D104-T106 VanDerWaalsContact C-N 3.25Å; D104-T106 PolarHBondContact O-N 3.33Å; D104-T106 WeakPolarHBondContact OD1-CA 3.49Å; D104-T106 WeakPolarHBondContact OD1-CB 3.5Å; D104-T106 PolarHBondContact OD1-N 2.63Å; D104-T106 PolarHBondContact OD1-OG1 2.93Å
107D92Very high94.8Very high29 Ų2951.1 Ų51.116%0.15525%0.249CC..  trans-126.294.3179.4-169.7-9.1000109.7K54 D104 R109 I110K54-D107 IonicContact NZ-OD2 2.69Å; K54-D107 PolarHBondContact NZ-OD2 3.42Å; D104-D107 CarbonylContact O-C 3.54Å; D104-D107 PolarHBondContact OD1-N 2.81Å; D107-R109 PolarHBondContact O-N 2.69Å; D107-R109 WeakPolarHBondContact OD1-CB 3.41Å; D107-R109 IonicContact OD1-CZ 2.81Å; D107-R109 PolarHBondContact OD1-N 2.78Å; D107-R109 IonicContact OD1-NE 3.53Å; D107-R109 PolarHBondContact OD1-NE 2.82Å; D107-R109 VanDerWaalsContact OD1-NE 3.17Å; D107-R109 IonicContact OD1-NH2 3.6Å; D107-R109 IonicContact OD2-NH2 3.92Å; D107-I110 HydrophobicContact CB-CG1 3.92Å; D107-I110 PolarHBondContact O-N 2.93Å
108K93.4Very high94.3Very high180 Ų18051.4 Ų51.478%0.78326%0.262SS*.THydrogen-bonded Turntrans-59-5.3-177.4-63.6-172.5177.3-172.70114.9A134K108-A134 VanDerWaalsContact O-CB 3.25Å; K108-A134 WeakPolarHBondContact O-CB 3.16Å
109R94.9Very high93.7Very high107 Ų10759.7 Ų59.740%0.40430%0.3SS..THydrogen-bonded Turntrans-89.7-17.2175.2-57.5178.5-61.1161.110.6112.5D107 D129 S130D107-R109 PolarHBondContact O-N 2.69Å; D107-R109 WeakPolarHBondContact OD1-CB 3.41Å; D107-R109 IonicContact OD1-CZ 2.81Å; D107-R109 PolarHBondContact OD1-N 2.78Å; D107-R109 IonicContact OD1-NE 3.53Å; D107-R109 PolarHBondContact OD1-NE 2.82Å; D107-R109 VanDerWaalsContact OD1-NE 3.17Å; D107-R109 IonicContact OD1-NH2 3.6Å; D107-R109 IonicContact OD2-NH2 3.92Å; R109-D129 CarbonylContact O-C 3.57Å; R109-D129 WeakPolarHBondContact O-CA 3.35Å; R109-S130 CarbonylContact C-O 3.46Å; R109-S130 WeakPolarHBondContact CA-O 3.11Å; R109-S130 VanDerWaalsContact CB-O 3.27Å; R109-S130 WeakPolarHBondContact CB-O 3.35Å; R109-S130 PolarHBondContact O-N 3.34Å
110I96.5Very high93.3Very high0 Ų059.9 Ų59.90%030%0.301CS..EExtended strand (participates in β ladder)trans-93130.3-176.4-56.1-61.2000109.6L32 V50 D104 D107 T112 V127 F128 D129L32-I110 HydrophobicContact CD2-CD1 4.36Å; V50-I110 HydrophobicContact CG1-CG2 4.13Å; V50-I110 HydrophobicContact CG2-CG2 4Å; D104-I110 HydrophobicContact CB-CB 3.74Å; D104-I110 HydrophobicContact CB-CG2 4.05Å; D104-I110 PolarHBondContact N-O 2.88Å; D107-I110 HydrophobicContact CB-CG1 3.92Å; D107-I110 PolarHBondContact O-N 2.93Å; I110-T112 HydrophobicContact CG2-CG2 4.15Å; I110-V127 HydrophobicContact CG2-CG1 3.95Å; I110-F128 WeakPolarHBondContact CA-O 3.38Å; I110-F128 WeakPolarHBondContact CD1-O 3.46Å; I110-D129 HydrophobicContact CD1-CB 3.85Å
111F97.7Very high93Very high1 Ų162.1 Ų62.10%0.00432%0.316CS..EExtended strand (participates in β ladder)trans-134.215816470.4-80.3000109.3A29 L72 A102 F128 A134 I137 T138A29-F111 HydrophobicContact CB-CE1 4.16Å; A29-F111 HydrophobicContact CB-CZ 4.19Å; L72-F111 HydrophobicContact CD1-CE2 3.95Å; L72-F111 HydrophobicContact CD1-CZ 3.44Å; L72-F111 VanDerWaalsContact CD1-CZ 3.44Å; A102-F111 CarbonylContact O-C 3.59Å; A102-F111 WeakPolarHBondContact O-CA 3.19Å; F111-F128 HydrophobicContact CD1-CB 3.98Å; F111-F128 HydrophobicContact CD2-CB 4.45Å; F111-F128 HydrophobicContact CD2-CD2 4.17Å; F111-F128 HydrophobicContact CE1-CB 3.34Å; F111-F128 HydrophobicContact CE1-CG 4.15Å; F111-F128 HydrophobicContact CE2-CB 3.86Å; F111-F128 AromaticContact CE2-CD2 3.52Å; F111-F128 HydrophobicContact CE2-CD2 3.52Å; F111-F128 HydrophobicContact CE2-CE2 4.28Å; F111-F128 AromaticContact CE2-CG 3.83Å; F111-F128 HydrophobicContact CE2-CG 3.83Å; F111-F128 HydrophobicContact CG-CB 4.5Å; F111-F128 HydrophobicContact CZ-CB 3.27Å; F111-F128 HydrophobicContact CZ-CD1 4.32Å; F111-F128 AromaticContact CZ-CD2 3.77Å; F111-F128 HydrophobicContact CZ-CD2 3.77Å; F111-F128 AromaticContact CZ-CG 3.54Å; F111-F128 HydrophobicContact CZ-CG 3.54Å; F111-F128 PolarHBondContact N-O 2.82Å; F111-F128 PolarHBondContact O-N 3.05Å; F111-A134 HydrophobicContact CB-CB 4.08Å; F111-A134 HydrophobicContact CD1-CB 3.8Å; F111-A134 HydrophobicContact CG-CB 4.37Å; F111-I137 HydrophobicContact CD1-CD1 4.26Å; F111-I137 HydrophobicContact CD2-CB 4.37Å; F111-I137 HydrophobicContact CD2-CG2 3.64Å; F111-I137 HydrophobicContact CE1-CD1 3.58Å; F111-I137 HydrophobicContact CE1-CG2 4.39Å; F111-I137 HydrophobicContact CE2-CB 4.29Å; F111-I137 HydrophobicContact CE2-CD1 4.41Å; F111-I137 HydrophobicContact CE2-CG2 3.36Å; F111-I137 HydrophobicContact CG-CG2 4.28Å; F111-I137 HydrophobicContact CZ-CB 4.38Å; F111-I137 HydrophobicContact CZ-CD1 3.66Å; F111-I137 HydrophobicContact CZ-CG2 3.77Å; F111-T138 WeakPolarHBondContact CB-OG1 3.47Å
112T97.8Very high92.9Very high2 Ų265.2 Ų65.21%0.01233%0.327CS..EExtended strand (participates in β ladder)trans-144.3156.5-171.566.20000111.1V46 V50 C101 A102 I110 Y126 V127V46-T112 HydrophobicContact CG1-CG2 3.77Å; V46-T112 WeakPolarHBondContact CG1-OG1 3.49Å; V50-T112 HydrophobicContact CG2-CG2 3.61Å; C101-T112 CarbonylContact C-O 3.57Å; C101-T112 VanDerWaalsContact CA-O 3.29Å; C101-T112 WeakPolarHBondContact CA-O 3.29Å; A102-T112 PolarHBondContact N-O 3.39Å; A102-T112 PolarHBondContact O-N 2.87Å; A102-T112 PolarHBondContact O-OG1 2.62Å; I110-T112 HydrophobicContact CG2-CG2 4.15Å; T112-Y126 WeakPolarHBondContact CA-O 3.36Å; T112-Y126 WeakPolarHBondContact CB-O 3.46Å; T112-V127 HydrophobicContact CG2-CB 4.27Å; T112-V127 HydrophobicContact CG2-CG1 4.12Å; T112-V127 HydrophobicContact CG2-CG2 3.83Å
113F97.8Very high92.9Very high0 Ų066.6 Ų66.60%033%0.331CS..EExtended strand (participates in β ladder)trans-143.5152.2162.564-99.4000110.9V79 I81 C93 I98 F100 C101 C115 Y126 F128 I141V79-F113 HydrophobicContact CG1-CE1 4.14Å; V79-F113 HydrophobicContact CG1-CZ 4.35Å; I81-F113 HydrophobicContact CD1-CZ 4.39Å; C93-F113 HydrophobicContact CB-CE2 4.06Å; C93-F113 HydrophobicContact CB-CZ 4.43Å; I98-F113 HydrophobicContact CD1-CD2 4.26Å; I98-F113 HydrophobicContact CD1-CE2 4.43Å; I98-F113 HydrophobicContact CG1-CD2 4.36Å; I98-F113 HydrophobicContact CG2-CB 3.97Å; I98-F113 HydrophobicContact CG2-CD2 4.13Å; I98-F113 HydrophobicContact CG2-CG 4.36Å; F100-F113 CarbonylContact O-C 3.47Å; F100-F113 WeakPolarHBondContact O-CA 3.27Å; F100-F113 WeakPolarHBondContact O-CB 3.33Å; C101-F113 HydrophobicContact CB-CB 3.96Å; F113-C115 HydrophobicContact CD2-CB 4.27Å; F113-C115 HydrophobicContact CE2-CB 4.21Å; F113-Y126 HydrophobicContact CD2-CD2 4.02Å; F113-Y126 HydrophobicContact CD2-CG 4.36Å; F113-Y126 HydrophobicContact CE2-CD1 4.41Å; F113-Y126 AromaticContact CE2-CD2 3.46Å; F113-Y126 HydrophobicContact CE2-CD2 3.46Å; F113-Y126 VanDerWaalsContact CE2-CD2 3.46Å; F113-Y126 HydrophobicContact CE2-CE2 4.14Å; F113-Y126 AromaticContact CE2-CG 3.63Å; F113-Y126 HydrophobicContact CE2-CG 3.63Å; F113-Y126 HydrophobicContact CZ-CD1 4.25Å; F113-Y126 HydrophobicContact CZ-CD2 4.09Å; F113-Y126 AromaticContact CZ-CG 3.77Å; F113-Y126 HydrophobicContact CZ-CG 3.77Å; F113-Y126 PolarHBondContact N-O 2.78Å; F113-Y126 VanDerWaalsContact N-O 3.16Å; F113-Y126 PolarHBondContact O-N 3.41Å; F113-F128 AromaticContact CD1-CE2 3.9Å; F113-F128 HydrophobicContact CD1-CE2 3.9Å; F113-F128 HydrophobicContact CE1-CD2 4.37Å; F113-F128 AromaticContact CE1-CE2 3.33Å; F113-F128 HydrophobicContact CE1-CE2 3.33Å; F113-F128 AromaticContact CE1-CZ 3.77Å; F113-F128 HydrophobicContact CE1-CZ 3.77Å; F113-F128 HydrophobicContact CZ-CE2 4.03Å; F113-F128 HydrophobicContact CZ-CZ 4.16Å; F113-I141 HydrophobicContact CD1-CD1 4.35Å
114I97.5Very high93Very high0 Ų064.1 Ų64.10%032%0.317CS..EExtended strand (participates in β ladder)trans-106.2123.1176.9-57.9176.8000108.1V37 V45 V46 I98 S99 F100 H123 L124 C125V37-I114 HydrophobicContact CG2-CD1 4.35Å; V37-I114 HydrophobicContact CG2-CG2 3.97Å; V45-I114 HydrophobicContact CG1-CD1 4.44Å; V46-I114 HydrophobicContact CG2-CD1 4Å; V46-I114 HydrophobicContact CG2-CG1 4.39Å; I98-I114 CarbonylContact C-O 3.58Å; I98-I114 VanDerWaalsContact CA-O 3.31Å; I98-I114 WeakPolarHBondContact CA-O 3.5Å; I98-I114 WeakPolarHBondContact CG2-O 3.44Å; S99-I114 PolarHBondContact N-O 2.93Å; S99-I114 PolarHBondContact OG-O 2.87Å; F100-I114 HydrophobicContact CB-CB 4.3Å; F100-I114 HydrophobicContact CB-CD1 4.25Å; F100-I114 HydrophobicContact CB-CG1 4.41Å; F100-I114 HydrophobicContact CD1-CD1 4.19Å; F100-I114 PolarHBondContact O-N 3Å; I114-H123 HydrophobicContact CG2-CB 3.91Å; I114-L124 WeakPolarHBondContact CA-O 3.45Å; I114-C125 HydrophobicContact CG1-CB 4.17Å
115C96.8Very high93.3Very high7 Ų763.2 Ų63.25%0.04731%0.313CS..EExtended strand (participates in β ladder)trans-120.6136.9178.4-171.10000109.7C93 R97 I98 F113 L124 Y126C93-C115 HydrophobicContact CB-CB 4.5Å; R97-C115 WeakPolarHBondContact O-CA 3.34Å; I98-C115 HydrophobicContact CG1-CB 4.2Å; F113-C115 HydrophobicContact CD2-CB 4.27Å; F113-C115 HydrophobicContact CE2-CB 4.21Å; C115-L124 PolarHBondContact N-O 3.04Å; C115-L124 PolarHBondContact O-N 3.49Å; C115-Y126 HydrophobicContact CB-CD2 4.29Å; C115-Y126 HydrophobicContact CB-CE2 3.9Å
116K95.4Very high93.7Very high85 Ų8555.3 Ų55.337%0.3728%0.278SS..EExtended strand (participates in β ladder)trans-76.7122.1169.8-170.7177.4178.3-174.50109.4R97 N121R97-K116 HydrophobicContact CB-CB 4.45Å; R97-K116 PolarHBondContact O-N 3.4Å; K116-N121 WeakPolarHBondContact CE-O 3.43Å; K116-N121 WeakPolarHBondContact CE-OD1 3.45Å; K116-N121 PolarHBondContact NZ-OD1 2.81Å
117D92.7Very high94.1Very high40 Ų4049.4 Ų49.421%0.21424%0.242CC..  trans-70.9142.4178.2-178.139.5000111.7E119 S120 N121 K122 L124D117-E119 PolarHBondContact OD2-N 2.86Å; D117-S120 WeakPolarHBondContact CB-OG 3.26Å; D117-S120 WeakPolarHBondContact OD2-CB 3.13Å; D117-S120 PolarHBondContact OD2-N 3.03Å; D117-S120 PolarHBondContact OD2-OG 3.44Å; D117-N121 WeakPolarHBondContact O-CA 3.5Å; D117-N121 PolarHBondContact O-N 2.81Å; D117-K122 PolarHBondContact N-O 3Å; D117-L124 HydrophobicContact CB-CD1 3.95Å; D117-L124 HydrophobicContact CB-CG 4.27Å
118S83.6Confident94.4Very high76 Ų7648 Ų4853%0.53123%0.234SC..THydrogen-bonded Turntrans-68.1-41.1179.9-9.70000112.4R97R97-S118 PolarHBondContact NH1-OG 3.25Å
119E82.9Confident94.5Very high181 Ų18140.4 Ų40.485%0.84620%0.202SC*.THydrogen-bonded Turntrans-88.7-50.8-161.9-175.4170.2-162.400109.2D117D117-E119 PolarHBondContact OD2-N 2.86Å
120S87.2Confident94.5Very high55 Ų5535.6 Ų35.639%0.38519%0.185SC..THydrogen-bonded Turntrans-89.2-7.7-177.1670000114.5D117 K122D117-S120 WeakPolarHBondContact CB-OG 3.26Å; D117-S120 WeakPolarHBondContact OD2-CB 3.13Å; D117-S120 PolarHBondContact OD2-N 3.03Å; D117-S120 PolarHBondContact OD2-OG 3.44Å; S120-K122 PolarHBondContact O-N 2.84Å
121N88.7Confident94.1Very high103 Ų10341.7 Ų41.755%0.55121%0.214SC*.  trans55.312.5-171.9-87-77.8000115.1K116 D117K116-N121 WeakPolarHBondContact CE-O 3.43Å; K116-N121 WeakPolarHBondContact CE-OD1 3.45Å; K116-N121 PolarHBondContact NZ-OD1 2.81Å; D117-N121 WeakPolarHBondContact O-CA 3.5Å; D117-N121 PolarHBondContact O-N 2.81Å
122K94.6Very high93.5Very high91 Ų9150.9 Ų50.940%0.39625%0.253SS..  trans-89.9160.9179.9-70.4163.2166.4-136.70111.5E36 D117 S120E36-K122 VanDerWaalsContact CD-CD 3.45Å; E36-K122 HydrophobicContact CG-CB 4.3Å; E36-K122 HydrophobicContact CG-CD 4.38Å; E36-K122 WeakPolarHBondContact OE1-CD 3.36Å; E36-K122 WeakPolarHBondContact OE1-CE 3.12Å; E36-K122 IonicContact OE1-NZ 2.93Å; E36-K122 PolarHBondContact OE1-NZ 3.16Å; E36-K122 IonicContact OE2-NZ 2.78Å; E36-K122 PolarHBondContact OE2-NZ 2.84Å; D117-K122 PolarHBondContact N-O 3Å; S120-K122 PolarHBondContact O-N 2.84Å
123H96.4Very high93.3Very high41 Ų4152.4 Ų52.419%0.1926%0.264CS..EExtended strand (participates in β ladder)trans-89.3126.9173-66.8-64.3000110E36 V37 I114E36-H123 CarbonylContact C-O 3.59Å; E36-H123 WeakPolarHBondContact CA-O 3.26Å; V37-H123 HydrophobicContact CG2-CB 3.65Å; V37-H123 WeakPolarHBondContact CG2-O 3.26Å; V37-H123 PolarHBondContact N-O 3.36Å; I114-H123 HydrophobicContact CG2-CB 3.91Å
124L96.9Very high93.1Very high25 Ų2552.5 Ų52.513%0.13126%0.264CS..EExtended strand (participates in β ladder)trans-112.4123.7176.8-66-179.6000109.3T35 E36 I114 C115 D117 Y126T35-L124 WeakPolarHBondContact O-CA 3.41Å; E36-L124 HydrophobicContact CB-CD2 4.2Å; I114-L124 WeakPolarHBondContact CA-O 3.45Å; C115-L124 PolarHBondContact N-O 3.04Å; C115-L124 PolarHBondContact O-N 3.49Å; D117-L124 HydrophobicContact CB-CD1 3.95Å; D117-L124 HydrophobicContact CB-CG 4.27Å; L124-Y126 HydrophobicContact CB-CD2 4.36Å; L124-Y126 HydrophobicContact CB-CE2 3.73Å
125C97.6Very high93Very high0 Ų058.7 Ų58.70%029%0.293CS..EExtended strand (participates in β ladder)trans-90.1118.8170.5-175.70000109.4N34 T35 V37 A49 I114N34-C125 CarbonylContact C-O 3.59Å; N34-C125 WeakPolarHBondContact CA-O 3.3Å; T35-C125 PolarHBondContact N-O 3.17Å; T35-C125 PolarHBondContact O-N 3.39Å; V37-C125 HydrophobicContact CG1-CB 3.56Å; V37-C125 HydrophobicContact CG2-CB 4.29Å; A49-C125 HydrophobicContact CB-CB 3.86Å; I114-C125 HydrophobicContact CG1-CB 4.17Å
126Y97.8Very high92.9Very high15 Ų1561.6 Ų61.66%0.05931%0.306CS..EExtended strand (participates in β ladder)trans-95130.3175.1-67.7-104.3000109.1F31 N34 I81 H91 T112 F113 C115 L124F31-Y126 AromaticContact CE2-CD1 3.93Å; F31-Y126 HydrophobicContact CE2-CD1 3.93Å; F31-Y126 HydrophobicContact CZ-CD1 4.04Å; N34-Y126 HydrophobicContact CB-CD1 3.86Å; N34-Y126 HydrophobicContact CB-CD2 4.45Å; N34-Y126 HydrophobicContact CB-CE1 3.96Å; N34-Y126 HydrophobicContact CB-CG 4.11Å; I81-Y126 HydrophobicContact CD1-CD1 3.85Å; I81-Y126 HydrophobicContact CD1-CE1 4.14Å; H91-Y126 HydrophobicContact CB-CE1 4.43Å; T112-Y126 WeakPolarHBondContact CA-O 3.36Å; T112-Y126 WeakPolarHBondContact CB-O 3.46Å; F113-Y126 HydrophobicContact CD2-CD2 4.02Å; F113-Y126 HydrophobicContact CD2-CG 4.36Å; F113-Y126 HydrophobicContact CE2-CD1 4.41Å; F113-Y126 AromaticContact CE2-CD2 3.46Å; F113-Y126 HydrophobicContact CE2-CD2 3.46Å; F113-Y126 VanDerWaalsContact CE2-CD2 3.46Å; F113-Y126 HydrophobicContact CE2-CE2 4.14Å; F113-Y126 AromaticContact CE2-CG 3.63Å; F113-Y126 HydrophobicContact CE2-CG 3.63Å; F113-Y126 HydrophobicContact CZ-CD1 4.25Å; F113-Y126 HydrophobicContact CZ-CD2 4.09Å; F113-Y126 AromaticContact CZ-CG 3.77Å; F113-Y126 HydrophobicContact CZ-CG 3.77Å; F113-Y126 PolarHBondContact N-O 2.78Å; F113-Y126 VanDerWaalsContact N-O 3.16Å; F113-Y126 PolarHBondContact O-N 3.41Å; C115-Y126 HydrophobicContact CB-CD2 4.29Å; C115-Y126 HydrophobicContact CB-CE2 3.9Å; L124-Y126 HydrophobicContact CB-CD2 4.36Å; L124-Y126 HydrophobicContact CB-CE2 3.73Å
127V97.7Very high92.9Very high0 Ų057.5 Ų57.50%029%0.289CS..EExtended strand (participates in β ladder)trans-122.3131.8-175.9-177.10000110.6L32 G33 V50 L53 I110 T112L32-V127 HydrophobicContact CB-CB 4.3Å; L32-V127 HydrophobicContact CB-CG1 4.21Å; L32-V127 WeakPolarHBondContact CB-O 3.48Å; L32-V127 HydrophobicContact CD2-CG1 3.98Å; L32-V127 PolarHBondContact N-O 3.28Å; G33-V127 PolarHBondContact O-N 2.91Å; V50-V127 HydrophobicContact CG2-CG1 3.91Å; V50-V127 HydrophobicContact CG2-CG2 3.96Å; L53-V127 HydrophobicContact CD1-CB 3.77Å; L53-V127 HydrophobicContact CD1-CG2 3.48Å; L53-V127 VanDerWaalsContact CD1-CG2 3.48Å; I110-V127 HydrophobicContact CG2-CG1 3.95Å; T112-V127 HydrophobicContact CG2-CB 4.27Å; T112-V127 HydrophobicContact CG2-CG1 4.12Å; T112-V127 HydrophobicContact CG2-CG2 3.83Å
128F97.8Very high93.1Very high0 Ų056.4 Ų56.40%028%0.283CS..EExtended strand (participates in β ladder)trans-130.6154.5-177.7-56.1-92.5000111.3A29 K30 F31 V70 L72 I81 I110 F111 F113A29-F128 HydrophobicContact CB-CB 4.25Å; A29-F128 HydrophobicContact CB-CD1 4.39Å; K30-F128 CarbonylContact O-C 3.58Å; K30-F128 VanDerWaalsContact O-CA 3.31Å; K30-F128 WeakPolarHBondContact O-CA 3.42Å; F31-F128 HydrophobicContact CB-CD1 4.28Å; F31-F128 HydrophobicContact CB-CE1 4.32Å; F31-F128 AromaticContact CD2-CD1 3.72Å; F31-F128 HydrophobicContact CD2-CD1 3.72Å; F31-F128 AromaticContact CD2-CE1 3.32Å; F31-F128 HydrophobicContact CD2-CE1 3.32Å; F31-F128 AromaticContact CD2-CZ 3.85Å; F31-F128 HydrophobicContact CD2-CZ 3.85Å; F31-F128 AromaticContact CE2-CE1 3.92Å; F31-F128 HydrophobicContact CE2-CE1 3.92Å; F31-F128 AromaticContact CE2-CZ 3.97Å; F31-F128 HydrophobicContact CE2-CZ 3.97Å; F31-F128 HydrophobicContact CG-CD1 4.45Å; F31-F128 HydrophobicContact CG-CE1 4.13Å; V70-F128 HydrophobicContact CG2-CD1 4.11Å; V70-F128 HydrophobicContact CG2-CE1 4.12Å; L72-F128 HydrophobicContact CD1-CD1 4.27Å; L72-F128 HydrophobicContact CD1-CE1 4.42Å; L72-F128 HydrophobicContact CD2-CD1 4.39Å; L72-F128 HydrophobicContact CD2-CE1 3.77Å; L72-F128 HydrophobicContact CD2-CZ 4.05Å; I81-F128 HydrophobicContact CD1-CE1 3.96Å; I81-F128 HydrophobicContact CD1-CZ 3.54Å; I81-F128 HydrophobicContact CG1-CZ 4.32Å; I81-F128 HydrophobicContact CG2-CE1 4.47Å; I110-F128 WeakPolarHBondContact CA-O 3.38Å; I110-F128 WeakPolarHBondContact CD1-O 3.46Å; F111-F128 HydrophobicContact CD1-CB 3.98Å; F111-F128 HydrophobicContact CD2-CB 4.45Å; F111-F128 HydrophobicContact CD2-CD2 4.17Å; F111-F128 HydrophobicContact CE1-CB 3.34Å; F111-F128 HydrophobicContact CE1-CG 4.15Å; F111-F128 HydrophobicContact CE2-CB 3.86Å; F111-F128 AromaticContact CE2-CD2 3.52Å; F111-F128 HydrophobicContact CE2-CD2 3.52Å; F111-F128 HydrophobicContact CE2-CE2 4.28Å; F111-F128 AromaticContact CE2-CG 3.83Å; F111-F128 HydrophobicContact CE2-CG 3.83Å; F111-F128 HydrophobicContact CG-CB 4.5Å; F111-F128 HydrophobicContact CZ-CB 3.27Å; F111-F128 HydrophobicContact CZ-CD1 4.32Å; F111-F128 AromaticContact CZ-CD2 3.77Å; F111-F128 HydrophobicContact CZ-CD2 3.77Å; F111-F128 AromaticContact CZ-CG 3.54Å; F111-F128 HydrophobicContact CZ-CG 3.54Å; F111-F128 PolarHBondContact N-O 2.82Å; F111-F128 PolarHBondContact O-N 3.05Å; F113-F128 AromaticContact CD1-CE2 3.9Å; F113-F128 HydrophobicContact CD1-CE2 3.9Å; F113-F128 HydrophobicContact CE1-CD2 4.37Å; F113-F128 AromaticContact CE1-CE2 3.33Å; F113-F128 HydrophobicContact CE1-CE2 3.33Å; F113-F128 AromaticContact CE1-CZ 3.77Å; F113-F128 HydrophobicContact CE1-CZ 3.77Å; F113-F128 HydrophobicContact CZ-CE2 4.03Å; F113-F128 HydrophobicContact CZ-CZ 4.16Å
129D96.4Very high93.6Very high19 Ų1957.1 Ų57.110%0.10228%0.28CS..EExtended strand (participates in β ladder)trans-119.5115.1172.4175.8-15.5000108.6K30 L32 R109 I110K30-D129 HydrophobicContact CB-CB 4.22Å; K30-D129 WeakPolarHBondContact CB-O 3.41Å; K30-D129 PolarHBondContact N-O 2.96Å; K30-D129 PolarHBondContact O-N 3.37Å; L32-D129 HydrophobicContact CD1-CB 3.46Å; L32-D129 VanDerWaalsContact CD1-CB 3.46Å; R109-D129 CarbonylContact O-C 3.57Å; R109-D129 WeakPolarHBondContact O-CA 3.35Å; I110-D129 HydrophobicContact CD1-CB 3.85Å
130S95.5Very high94.3Very high7 Ų748.5 Ų48.55%0.04924%0.24CC..  trans-125.5127.4175-177.80000109.6R109 K132 C133R109-S130 CarbonylContact C-O 3.46Å; R109-S130 WeakPolarHBondContact CA-O 3.11Å; R109-S130 VanDerWaalsContact CB-O 3.27Å; R109-S130 WeakPolarHBondContact CB-O 3.35Å; R109-S130 PolarHBondContact O-N 3.34Å; S130-K132 VanDerWaalsContact C-N 3.32Å; S130-K132 PolarHBondContact O-N 3.46Å; S130-C133 PolarHBondContact OG-N 3.15Å
131E86.4Confident94.7Very high128 Ų12845.9 Ų45.960%0.59822%0.222SC*.THydrogen-bonded Turntrans-67.2-30.1-171.3-73.1170.1-164.700113.9K30K30-E131 IonicContact NZ-OE1 3.11Å; K30-E131 PolarHBondContact NZ-OE1 3.49Å
132K86.1Confident95Very high193 Ų19342.2 Ų42.284%0.83921%0.208SC*.THydrogen-bonded Turntrans-134.7-18.7-174.4-62.3-174.4-177.8179.20115S130S130-K132 VanDerWaalsContact C-N 3.32Å; S130-K132 PolarHBondContact O-N 3.46Å
133C93Very high95Very high35 Ų3538.9 Ų38.924%0.23619%0.194CC..THydrogen-bonded Turntrans-110.89.5-167-58.70000113.7Y27 S130 E135 E136 I137Y27-C133 HydrophobicContact CD1-CB 3.98Å; Y27-C133 HydrophobicContact CE1-CB 4.23Å; S130-C133 PolarHBondContact OG-N 3.15Å; C133-E135 PolarHBondContact O-N 3.44Å; C133-E136 HydrophobicContact CB-CB 4.41Å; C133-E136 PolarHBondContact O-N 3.08Å; C133-I137 HydrophobicContact CB-CD1 3.93Å; C133-I137 HydrophobicContact CB-CG1 4.17Å; C133-I137 VanDerWaalsContact O-CB 3.3Å; C133-I137 WeakPolarHBondContact O-CB 3.47Å; C133-I137 WeakPolarHBondContact O-CD1 3.16Å; C133-I137 WeakPolarHBondContact O-CG1 3.38Å; C133-I137 PolarHBondContact O-N 3.34Å
134A95.1Very high95Very high1 Ų137 Ų371%0.00819%0.185CC..Hα-helixtrans-61.3-46.4-174.600000113.3K108 F111 T138K108-A134 VanDerWaalsContact O-CB 3.25Å; K108-A134 WeakPolarHBondContact O-CB 3.16Å; F111-A134 HydrophobicContact CB-CB 4.08Å; F111-A134 HydrophobicContact CD1-CB 3.8Å; F111-A134 HydrophobicContact CG-CB 4.37Å; A134-T138 PolarHBondContact O-N 2.9Å; A134-T138 VanDerWaalsContact O-N 3.09Å; A134-T138 PolarHBondContact O-OG1 3.17Å
135E94.1Very high94.9Very high130 Ų13038.3 Ų38.361%0.60719%0.19SC*.Hα-helixtrans-63.9-46174.7-176.7177.2179.300110.8C133 I137 T138 L139C133-E135 PolarHBondContact O-N 3.44Å; E135-I137 PolarHBondContact O-N 3.37Å; E135-T138 WeakPolarHBondContact O-CB 3.33Å; E135-T138 PolarHBondContact O-N 2.76Å; E135-L139 HydrophobicContact CG-CD1 4.27Å; E135-L139 WeakPolarHBondContact O-CG 3.29Å; E135-L139 PolarHBondContact O-N 3.37Å
136E94.8Very high94.6Very high68 Ų6842 Ų4232%0.31821%0.21SC..Hα-helixtrans-59.2-44.6178.2-163.9-168.6145.200112.3M14 Y27 C133 T138 L139 T140M14-E136 HydrophobicContact CE-CB 4.46Å; M14-E136 HydrophobicContact CE-CG 3.45Å; M14-E136 VanDerWaalsContact CE-CG 3.45Å; M14-E136 WeakPolarHBondContact CE-O 3.45Å; M14-E136 HydrophobicContact SD-CB 4.45Å; M14-E136 HydrophobicContact SD-CG 3.44Å; M14-E136 WeakPolarHBondContact SD-CG 3.44Å; Y27-E136 HydrophobicContact CE1-CG 4.29Å; Y27-E136 VanDerWaalsContact CE1-OE1 3.25Å; Y27-E136 WeakPolarHBondContact CE1-OE1 3.4Å; Y27-E136 PolarHBondContact OH-OE1 3.31Å; C133-E136 HydrophobicContact CB-CB 4.41Å; C133-E136 PolarHBondContact O-N 3.08Å; E136-T138 VanDerWaalsContact C-N 3.35Å; E136-T138 PolarHBondContact O-N 3.49Å; E136-L139 PolarHBondContact O-N 3.08Å; E136-T140 WeakPolarHBondContact O-CB 3.49Å; E136-T140 PolarHBondContact O-N 2.88Å; E136-T140 PolarHBondContact O-OG1 2.86Å
137I96.5Very high94.4Very high0 Ų041.8 Ų41.80%021%0.21CC..Hα-helixtrans-62.7-45.4177.1-71.1161.7000109.9Y27 I74 F111 C133 E135 L139 T140 I141Y27-I137 HydrophobicContact CD1-CD1 4.11Å; Y27-I137 HydrophobicContact CD1-CG1 3.65Å; Y27-I137 HydrophobicContact CD2-CG1 3.77Å; Y27-I137 HydrophobicContact CE1-CG1 4.08Å; Y27-I137 HydrophobicContact CE2-CG1 4.16Å; Y27-I137 HydrophobicContact CG-CD1 3.95Å; Y27-I137 HydrophobicContact CG-CG1 3.49Å; Y27-I137 VanDerWaalsContact CG-CG1 3.49Å; I74-I137 HydrophobicContact CD1-CG2 3.85Å; F111-I137 HydrophobicContact CD1-CD1 4.26Å; F111-I137 HydrophobicContact CD2-CB 4.37Å; F111-I137 HydrophobicContact CD2-CG2 3.64Å; F111-I137 HydrophobicContact CE1-CD1 3.58Å; F111-I137 HydrophobicContact CE1-CG2 4.39Å; F111-I137 HydrophobicContact CE2-CB 4.29Å; F111-I137 HydrophobicContact CE2-CD1 4.41Å; F111-I137 HydrophobicContact CE2-CG2 3.36Å; F111-I137 HydrophobicContact CG-CG2 4.28Å; F111-I137 HydrophobicContact CZ-CB 4.38Å; F111-I137 HydrophobicContact CZ-CD1 3.66Å; F111-I137 HydrophobicContact CZ-CG2 3.77Å; C133-I137 HydrophobicContact CB-CD1 3.93Å; C133-I137 HydrophobicContact CB-CG1 4.17Å; C133-I137 VanDerWaalsContact O-CB 3.3Å; C133-I137 WeakPolarHBondContact O-CB 3.47Å; C133-I137 WeakPolarHBondContact O-CD1 3.16Å; C133-I137 WeakPolarHBondContact O-CG1 3.38Å; C133-I137 PolarHBondContact O-N 3.34Å; E135-I137 PolarHBondContact O-N 3.37Å; I137-L139 VanDerWaalsContact C-N 3.33Å; I137-L139 PolarHBondContact O-N 2.85Å; I137-T140 WeakPolarHBondContact O-CB 3.38Å; I137-T140 PolarHBondContact O-N 3.05Å; I137-I141 HydrophobicContact CG2-CD1 3.97Å; I137-I141 WeakPolarHBondContact O-CG1 3.11Å; I137-I141 PolarHBondContact O-N 3.47Å
138T96.1Very high94.1Very high16 Ų1643 Ų4310%0.09822%0.22CC..Hα-helixtrans-60.5-43.7178.5-55.60000111.1F111 A134 E135 E136 I141 G142F111-T138 WeakPolarHBondContact CB-OG1 3.47Å; A134-T138 PolarHBondContact O-N 2.9Å; A134-T138 VanDerWaalsContact O-N 3.09Å; A134-T138 PolarHBondContact O-OG1 3.17Å; E135-T138 WeakPolarHBondContact O-CB 3.33Å; E135-T138 PolarHBondContact O-N 2.76Å; E136-T138 VanDerWaalsContact C-N 3.35Å; E136-T138 PolarHBondContact O-N 3.49Å; T138-I141 PolarHBondContact O-N 2.89Å; T138-G142 PolarHBondContact O-N 3.38Å
139L94.9Very high93.7Very high91 Ų9150.1 Ų50.148%0.47625%0.248SC..Hα-helixtrans-64-41.8174.7-69.3173.6000112M14 E135 E136 I137 I141 G142 Q143M14-L139 HydrophobicContact CE-CB 4.18Å; M14-L139 HydrophobicContact SD-CB 4.45Å; E135-L139 HydrophobicContact CG-CD1 4.27Å; E135-L139 WeakPolarHBondContact O-CG 3.29Å; E135-L139 PolarHBondContact O-N 3.37Å; E136-L139 PolarHBondContact O-N 3.08Å; I137-L139 VanDerWaalsContact C-N 3.33Å; I137-L139 PolarHBondContact O-N 2.85Å; L139-I141 VanDerWaalsContact C-N 3.35Å; L139-I141 PolarHBondContact O-N 2.89Å; L139-G142 PolarHBondContact O-N 2.61Å; L139-Q143 WeakPolarHBondContact O-CG 3.25Å; L139-Q143 PolarHBondContact O-N 3.31Å
140T96.1Very high93.4Very high0 Ų055.1 Ų55.10%027%0.269CS..Hα-helixtrans-61.1-43.4177.8-55.80000111.6M14 H15 L20 I25 Y27 I74 E136 I137 Q143 A144M14-T140 WeakPolarHBondContact CE-OG1 3.25Å; H15-T140 PolarHBondContact NE2-OG1 2.95Å; L20-T140 HydrophobicContact CD2-CG2 3.92Å; I25-T140 HydrophobicContact CB-CG2 4.39Å; I25-T140 HydrophobicContact CD1-CG2 3.99Å; Y27-T140 HydrophobicContact CE2-CG2 4.22Å; Y27-T140 PolarHBondContact OH-OG1 3.19Å; I74-T140 HydrophobicContact CB-CG2 4.15Å; I74-T140 HydrophobicContact CD1-CG2 4.08Å; I74-T140 HydrophobicContact CG2-CG2 3.87Å; E136-T140 WeakPolarHBondContact O-CB 3.49Å; E136-T140 PolarHBondContact O-N 2.88Å; E136-T140 PolarHBondContact O-OG1 2.86Å; I137-T140 WeakPolarHBondContact O-CB 3.38Å; I137-T140 PolarHBondContact O-N 3.05Å; T140-Q143 PolarHBondContact O-N 3.01Å; T140-A144 PolarHBondContact O-N 3.01Å
141I96.3Very high93.1Very high1 Ų159.4 Ų59.41%0.00529%0.286CS..Hα-helixtrans-62.9-44.9175.2-65169.4000109.9I74 V79 C101 F113 I137 T138 L139 Q143 A144 F145I74-I141 HydrophobicContact CD1-CG1 3.98Å; I74-I141 HydrophobicContact CG1-CG1 4.42Å; I74-I141 HydrophobicContact CG2-CG1 4.07Å; V79-I141 HydrophobicContact CG2-CD1 4.38Å; V79-I141 HydrophobicContact CG2-CG1 4.25Å; C101-I141 HydrophobicContact CB-CG2 3.99Å; F113-I141 HydrophobicContact CD1-CD1 4.35Å; I137-I141 HydrophobicContact CG2-CD1 3.97Å; I137-I141 WeakPolarHBondContact O-CG1 3.11Å; I137-I141 PolarHBondContact O-N 3.47Å; T138-I141 PolarHBondContact O-N 2.89Å; L139-I141 VanDerWaalsContact C-N 3.35Å; L139-I141 PolarHBondContact O-N 2.89Å; I141-Q143 VanDerWaalsContact C-N 3.3Å; I141-Q143 PolarHBondContact O-N 2.86Å; I141-A144 WeakPolarHBondContact O-CB 3.34Å; I141-A144 PolarHBondContact O-N 2.9Å; I141-A144 VanDerWaalsContact O-N 3.17Å; I141-F145 HydrophobicContact CG2-CD2 3.79Å; I141-F145 HydrophobicContact CG2-CE2 3.47Å; I141-F145 VanDerWaalsContact CG2-CE2 3.47Å; I141-F145 HydrophobicContact CG2-CZ 4.48Å; I141-F145 WeakPolarHBondContact O-CD2 3.44Å; I141-F145 PolarHBondContact O-N 2.94Å
142G95.1Very high93.1Very high25 Ų2557.7 Ų57.726%0.25828%0.277SS..Hα-helixtrans-57.5-40.817500000113.3T138 L139 F145 D146T138-G142 PolarHBondContact O-N 3.38Å; L139-G142 PolarHBondContact O-N 2.61Å; G142-F145 WeakPolarHBondContact O-CB 3.31Å; G142-F145 PolarHBondContact O-N 3.14Å; G142-D146 PolarHBondContact O-N 2.74Å
143Q94.4Very high93.2Very high22 Ų2253.3 Ų53.310%0.10326%0.262CS..Hα-helixtrans-67.2-41.3174.8-71.3-178-33.200112.7L20 L139 T140 I141 F145 D146 L147L20-Q143 HydrophobicContact CD1-CB 3.9Å; L139-Q143 WeakPolarHBondContact O-CG 3.25Å; L139-Q143 PolarHBondContact O-N 3.31Å; T140-Q143 PolarHBondContact O-N 3.01Å; I141-Q143 VanDerWaalsContact C-N 3.3Å; I141-Q143 PolarHBondContact O-N 2.86Å; Q143-F145 VanDerWaalsContact C-N 3.26Å; Q143-F145 PolarHBondContact O-N 2.88Å; Q143-D146 PolarHBondContact O-N 2.83Å; Q143-L147 WeakPolarHBondContact O-CB 3.3Å; Q143-L147 PolarHBondContact O-N 2.97Å
144A95.6Very high93Very high0 Ų057.1 Ų57.10%028%0.276CS..Hα-helixtrans-59.9-39.8175.100000110.9L20 I74 L95 T140 I141 L147 A148L20-A144 HydrophobicContact CD2-CB 4.36Å; I74-A144 HydrophobicContact CG2-CB 4.35Å; L95-A144 HydrophobicContact CD1-CB 4.42Å; L95-A144 HydrophobicContact CD2-CB 4.05Å; L95-A144 WeakPolarHBondContact CD2-O 3.22Å; T140-A144 PolarHBondContact O-N 3.01Å; I141-A144 WeakPolarHBondContact O-CB 3.34Å; I141-A144 PolarHBondContact O-N 2.9Å; I141-A144 VanDerWaalsContact O-N 3.17Å; A144-L147 PolarHBondContact O-N 2.8Å; A144-A148 WeakPolarHBondContact O-CB 3.34Å; A144-A148 PolarHBondContact O-N 2.79Å
145F94.8Very high92.4Very high54 Ų5458.2 Ų58.224%0.23728%0.284CS..Hα-helixtrans-61-52.6173.2-81.2-64.2000112.6L95 I98 I141 G142 Q143 L147 A148 Y149L95-F145 HydrophobicContact CD1-CD1 4.09Å; L95-F145 HydrophobicContact CD1-CD2 4.47Å; L95-F145 HydrophobicContact CD1-CE1 3.95Å; L95-F145 HydrophobicContact CD1-CE2 4.35Å; L95-F145 HydrophobicContact CD1-CG 4.36Å; L95-F145 HydrophobicContact CD1-CZ 4.1Å; L95-F145 HydrophobicContact CD2-CD1 4.36Å; L95-F145 HydrophobicContact CG-CD1 3.89Å; L95-F145 HydrophobicContact CG-CE1 3.92Å; L95-F145 WeakPolarHBondContact O-CE1 3.32Å; I98-F145 HydrophobicContact CB-CE1 4.26Å; I98-F145 HydrophobicContact CB-CZ 3.61Å; I98-F145 HydrophobicContact CG2-CE2 4.13Å; I98-F145 HydrophobicContact CG2-CZ 3.58Å; I98-F145 VanDerWaalsContact O-CE1 3.27Å; I98-F145 WeakPolarHBondContact O-CE1 3.46Å; I98-F145 VanDerWaalsContact O-CZ 3.26Å; I98-F145 WeakPolarHBondContact O-CZ 3.31Å; I141-F145 HydrophobicContact CG2-CD2 3.79Å; I141-F145 HydrophobicContact CG2-CE2 3.47Å; I141-F145 VanDerWaalsContact CG2-CE2 3.47Å; I141-F145 HydrophobicContact CG2-CZ 4.48Å; I141-F145 WeakPolarHBondContact O-CD2 3.44Å; I141-F145 PolarHBondContact O-N 2.94Å; G142-F145 WeakPolarHBondContact O-CB 3.31Å; G142-F145 PolarHBondContact O-N 3.14Å; Q143-F145 VanDerWaalsContact C-N 3.26Å; Q143-F145 PolarHBondContact O-N 2.88Å; F145-L147 PolarHBondContact O-N 2.97Å; F145-A148 PolarHBondContact O-N 3.49Å; F145-Y149 VanDerWaalsContact O-CB 3.27Å; F145-Y149 WeakPolarHBondContact O-CB 3.41Å; F145-Y149 PolarHBondContact O-N 2.86Å
146D92.5Very high91.6Very high77 Ų7755.1 Ų55.141%0.41229%0.287SS..Hα-helixtrans-55.6-43.9179.3-78.1-11.6000110.4K11 G142 Q143 K150K11-D146 IonicContact NZ-OD2 2.79Å; K11-D146 PolarHBondContact NZ-OD2 2.89Å; G142-D146 PolarHBondContact O-N 2.74Å; Q143-D146 PolarHBondContact O-N 2.83Å; D146-K150 WeakPolarHBondContact O-CB 3.26Å; D146-K150 PolarHBondContact O-N 2.84Å; D146-K150 VanDerWaalsContact O-N 3.07Å
147L92.6Very high90.6Very high11 Ų1152.6 Ų52.66%0.05828%0.28CS..Hα-helixtrans-66.4-50.1178.4-93.2171.1000113.9W13 P17 L20 I76 Q143 A144 F145 Y149 K150 K151W13-L147 HydrophobicContact CE3-CD1 4.2Å; W13-L147 HydrophobicContact CE3-CG 4.39Å; W13-L147 HydrophobicContact CH2-CD1 4.11Å; W13-L147 HydrophobicContact CH2-CD2 3.27Å; W13-L147 HydrophobicContact CH2-CG 3.43Å; W13-L147 VanDerWaalsContact CH2-CG 3.43Å; W13-L147 HydrophobicContact CZ2-CD2 4.49Å; W13-L147 HydrophobicContact CZ2-CG 4.41Å; W13-L147 HydrophobicContact CZ3-CD1 3.52Å; W13-L147 HydrophobicContact CZ3-CD2 3.38Å; W13-L147 HydrophobicContact CZ3-CG 3.39Å; P17-L147 HydrophobicContact CB-CD2 4.28Å; L20-L147 HydrophobicContact CB-CD1 3.81Å; L20-L147 HydrophobicContact CD1-CD1 3.86Å; L20-L147 HydrophobicContact CG-CD1 4.49Å; I76-L147 HydrophobicContact CG2-CB 3.72Å; I76-L147 HydrophobicContact CG2-CD1 4.08Å; Q143-L147 WeakPolarHBondContact O-CB 3.3Å; Q143-L147 PolarHBondContact O-N 2.97Å; A144-L147 PolarHBondContact O-N 2.8Å; F145-L147 PolarHBondContact O-N 2.97Å; L147-Y149 VanDerWaalsContact C-N 3.3Å; L147-Y149 PolarHBondContact O-N 3.5Å; L147-K150 PolarHBondContact O-N 2.77Å; L147-K151 WeakPolarHBondContact O-CG 3.27Å; L147-K151 PolarHBondContact O-N 3.28Å
148A91.6Very high89.6Confident26 Ų2660 Ų6022%0.21531%0.312CS..Hα-helixtrans-64.1-39.2-178.900000111I76 L95 A144 F145 K151 F152I76-A148 HydrophobicContact CB-CB 4.21Å; I76-A148 WeakPolarHBondContact O-CB 3.49Å; L95-A148 HydrophobicContact CD2-CB 3.52Å; A144-A148 WeakPolarHBondContact O-CB 3.34Å; A144-A148 PolarHBondContact O-N 2.79Å; F145-A148 PolarHBondContact O-N 3.49Å; A148-K151 PolarHBondContact O-N 3.34Å; A148-F152 WeakPolarHBondContact O-CB 3.45Å; A148-F152 PolarHBondContact O-N 2.91Å
149Y89.7Confident88.6Confident149 Ų14963.8 Ų63.858%0.58433%0.331SS*.Hα-helixtrans-64.4-44.1175.7-175.8-111.2000111.7F145 L147 K151 F152 L153F145-Y149 VanDerWaalsContact O-CB 3.27Å; F145-Y149 WeakPolarHBondContact O-CB 3.41Å; F145-Y149 PolarHBondContact O-N 2.86Å; L147-Y149 VanDerWaalsContact C-N 3.3Å; L147-Y149 PolarHBondContact O-N 3.5Å; Y149-K151 VanDerWaalsContact C-N 3.33Å; Y149-K151 PolarHBondContact O-N 3.18Å; Y149-F152 WeakPolarHBondContact O-CB 3.44Å; Y149-F152 PolarHBondContact O-N 3.36Å; Y149-L153 HydrophobicContact CD1-CD1 4.09Å; Y149-L153 HydrophobicContact CE1-CD1 3.57Å; Y149-L153 HydrophobicContact CE1-CG 4.28Å; Y149-L153 HydrophobicContact CE2-CD2 4.5Å; Y149-L153 HydrophobicContact CE2-CG 4.47Å; Y149-L153 WeakPolarHBondContact O-CG 3.4Å; Y149-L153 PolarHBondContact O-N 2.83Å
150K90.5Very high87.7Confident124 Ų12462.2 Ų62.254%0.53933%0.326SS..Hα-helixtrans-58.8-45174.2-174.6175.5177.2177.20111.7D146 L147 F152 L153 E154D146-K150 WeakPolarHBondContact O-CB 3.26Å; D146-K150 PolarHBondContact O-N 2.84Å; D146-K150 VanDerWaalsContact O-N 3.07Å; L147-K150 PolarHBondContact O-N 2.77Å; K150-F152 PolarHBondContact O-N 3.01Å; K150-L153 PolarHBondContact O-N 2.83Å; K150-E154 WeakPolarHBondContact CE-OE1 3.35Å; K150-E154 WeakPolarHBondContact CG-OE1 3.49Å; K150-E154 WeakPolarHBondContact O-CG 3.43Å; K150-E154 PolarHBondContact O-N 2.92Å
151K87.9Confident86.6Confident97 Ų9766.6 Ų66.642%0.42235%0.346SS..Hα-helixtrans-64.4-37.3176.5-74.2-75.5165.7-148.30113.2L147 A148 Y149 L153 E154 S155L147-K151 WeakPolarHBondContact O-CG 3.27Å; L147-K151 PolarHBondContact O-N 3.28Å; A148-K151 PolarHBondContact O-N 3.34Å; Y149-K151 VanDerWaalsContact C-N 3.33Å; Y149-K151 PolarHBondContact O-N 3.18Å; K151-L153 VanDerWaalsContact C-N 3.35Å; K151-E154 IonicContact NZ-OE2 3.74Å; K151-E154 PolarHBondContact NZ-OE2 3.22Å; K151-E154 PolarHBondContact O-N 3.45Å; K151-S155 WeakPolarHBondContact O-CB 3.41Å; K151-S155 PolarHBondContact O-N 3.06Å; K151-S155 PolarHBondContact O-OG 2.98Å
152F87.3Confident85.6Confident91 Ų9170 Ų7040%0.39937%0.367SS..Hα-helixtrans-62.3-43.2175.7176-96.1000111.5A148 Y149 K150 S155 G156 G157 V160A148-F152 WeakPolarHBondContact O-CB 3.45Å; A148-F152 PolarHBondContact O-N 2.91Å; Y149-F152 WeakPolarHBondContact O-CB 3.44Å; Y149-F152 PolarHBondContact O-N 3.36Å; K150-F152 PolarHBondContact O-N 3.01Å; F152-S155 PolarHBondContact O-OG 2.82Å; F152-G156 PolarHBondContact O-N 3.15Å; F152-G157 PolarHBondContact O-N 2.84Å; F152-V160 HydrophobicContact CD2-CB 4.42Å; F152-V160 HydrophobicContact CD2-CG2 3.82Å; F152-V160 HydrophobicContact CE2-CG2 4.49Å
153L88.3Confident84.6Confident102 Ų10275.1 Ų75.153%0.53438%0.378SS..Hα-helixtrans-67.3-42.9175.7-65.5176.9000112.2Y149 K150 K151 S155 G156Y149-L153 HydrophobicContact CD1-CD1 4.09Å; Y149-L153 HydrophobicContact CE1-CD1 3.57Å; Y149-L153 HydrophobicContact CE1-CG 4.28Å; Y149-L153 HydrophobicContact CE2-CD2 4.5Å; Y149-L153 HydrophobicContact CE2-CG 4.47Å; Y149-L153 WeakPolarHBondContact O-CG 3.4Å; Y149-L153 PolarHBondContact O-N 2.83Å; K150-L153 PolarHBondContact O-N 2.83Å; K151-L153 VanDerWaalsContact C-N 3.35Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 2.74Å; L153-G156 PolarHBondContact O-N 3.29Å
154E88.3Confident83.8Confident114 Ų11479.4 Ų79.453%0.53340%0.396SS..Hα-helixtrans-60.1-35.4177.6-74.3170.6-173.500112.7K150 K151K150-E154 WeakPolarHBondContact CE-OE1 3.35Å; K150-E154 WeakPolarHBondContact CG-OE1 3.49Å; K150-E154 WeakPolarHBondContact O-CG 3.43Å; K150-E154 PolarHBondContact O-N 2.92Å; K151-E154 IonicContact NZ-OE2 3.74Å; K151-E154 PolarHBondContact NZ-OE2 3.22Å; K151-E154 PolarHBondContact O-N 3.45Å
155S83Confident83.1Confident25 Ų2584.8 Ų84.818%0.17542%0.422CS..THydrogen-bonded Turntrans-93.1-2.3-177.158.70000114.4K151 F152 L153 G157 K158 D159K151-S155 WeakPolarHBondContact O-CB 3.41Å; K151-S155 PolarHBondContact O-N 3.06Å; K151-S155 PolarHBondContact O-OG 2.98Å; F152-S155 PolarHBondContact O-OG 2.82Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 2.74Å; S155-G157 PolarHBondContact O-N 3.43Å; S155-K158 PolarHBondContact O-N 3.13Å; S155-D159 WeakPolarHBondContact CB-OD2 3.27Å; S155-D159 PolarHBondContact OG-OD2 3.21Å
156G77.8Confident82.5Confident64 Ų6486 Ų8666%0.6643%0.43SS*.THydrogen-bonded Turntrans58.929.4-172.300000113F152 L153 K158F152-G156 PolarHBondContact O-N 3.15Å; L153-G156 PolarHBondContact O-N 3.29Å; G156-K158 VanDerWaalsContact C-N 3.29Å; G156-K158 PolarHBondContact O-N 2.95Å
157G73.3Confident82Confident16 Ų1684 Ų8417%0.16543%0.427CS..THydrogen-bonded Turntrans77.9-3.2179.100000117F152 S155 D159 V160F152-G157 PolarHBondContact O-N 2.84Å; S155-G157 PolarHBondContact O-N 3.43Å; G157-D159 PolarHBondContact O-N 3.07Å; G157-V160 PolarHBondContact O-N 3.36Å
158K76.3Confident81.5Confident155 Ų15585.6 Ų85.667%0.67445%0.446SS*.Hα-helixtrans-65.8-34.9-176.6-64.7178179.91770113.7S155 G156 V160 T162S155-K158 PolarHBondContact O-N 3.13Å; G156-K158 VanDerWaalsContact C-N 3.29Å; G156-K158 PolarHBondContact O-N 2.95Å; K158-V160 PolarHBondContact O-N 3.21Å; K158-T162 WeakPolarHBondContact O-CB 3.21Å; K158-T162 PolarHBondContact O-N 3.5Å; K158-T162 PolarHBondContact O-OG1 3.11Å
159D74.9Confident81.1Confident95 Ų9589.8 Ų89.851%0.50847%0.465SS..Hα-helixtrans-66-38-177.8-77.6-34.4000112.8S155 G157 R163S155-D159 WeakPolarHBondContact CB-OD2 3.27Å; S155-D159 PolarHBondContact OG-OD2 3.21Å; G157-D159 PolarHBondContact O-N 3.07Å; D159-R163 WeakPolarHBondContact O-CB 3.46Å; D159-R163 WeakPolarHBondContact O-CG 3.37Å; D159-R163 PolarHBondContact O-N 3.3Å
160V75.4Confident80.9Confident59 Ų5988.6 Ų88.636%0.35846%0.464SS..Hα-helixtrans-69.1-43.7-178.9173.90000110.6F152 G157 K158 R163 K164F152-V160 HydrophobicContact CD2-CB 4.42Å; F152-V160 HydrophobicContact CD2-CG2 3.82Å; F152-V160 HydrophobicContact CE2-CG2 4.49Å; G157-V160 PolarHBondContact O-N 3.36Å; K158-V160 PolarHBondContact O-N 3.21Å; V160-R163 PolarHBondContact O-N 2.94Å; V160-K164 WeakPolarHBondContact O-CB 2.91Å; V160-K164 PolarHBondContact O-N 3.42Å
161E73.4Confident80.7Confident92 Ų9289.1 Ų89.143%0.4347%0.467SS..Hα-helixtrans-66.8-46.4179.5-169.256.4-142.100111.3R163 K164 Q165E161-R163 VanDerWaalsContact C-N 3.28Å; E161-R163 PolarHBondContact O-N 2.99Å; E161-K164 WeakPolarHBondContact O-CB 3.47Å; E161-K164 PolarHBondContact O-N 3.39Å; E161-K164 VanDerWaalsContact O-N 3.11Å; E161-Q165 WeakPolarHBondContact O-CG 3.43Å; E161-Q165 PolarHBondContact O-N 3.46Å
162T75.8Confident80.7Confident71 Ų7190.5 Ų90.544%0.43647%0.469SS..Hα-helixtrans-58.4-41.8177.1-53.20000111K158 Q165 I166K158-T162 WeakPolarHBondContact O-CB 3.21Å; K158-T162 PolarHBondContact O-N 3.5Å; K158-T162 PolarHBondContact O-OG1 3.11Å; T162-Q165 PolarHBondContact O-N 3.2Å; T162-I166 HydrophobicContact CG2-CD1 4.04Å; T162-I166 VanDerWaalsContact O-CG1 3.27Å; T162-I166 WeakPolarHBondContact O-CG1 3.44Å; T162-I166 PolarHBondContact O-N 3.04Å
163R72.8Confident81Confident134 Ų13490.4 Ų90.451%0.50647%0.472SS..Hα-helixtrans-70.3-34.9176.2-78.8-158.8-174.5-141.87.9114.2Y77 D159 V160 E161 Q165 I166 G167Y77-R163 VanDerWaalsContact CE1-NH2 3.3Å; Y77-R163 VanDerWaalsContact CZ-NH2 3.26Å; Y77-R163 PolarHBondContact OH-NH2 3.01Å; D159-R163 WeakPolarHBondContact O-CB 3.46Å; D159-R163 WeakPolarHBondContact O-CG 3.37Å; D159-R163 PolarHBondContact O-N 3.3Å; V160-R163 PolarHBondContact O-N 2.94Å; E161-R163 VanDerWaalsContact C-N 3.28Å; E161-R163 PolarHBondContact O-N 2.99Å; R163-Q165 VanDerWaalsContact C-N 3.27Å; R163-Q165 PolarHBondContact O-N 3.36Å; R163-I166 PolarHBondContact O-N 2.82Å; R163-G167 PolarHBondContact O-N 2.96Å
164K78.3Confident81.1Confident111 Ų11191.8 Ų91.848%0.48348%0.476SS..Hα-helixtrans-61.1-42.1174-177-175.1169.8-162.30110.2V160 E161 G167 G168V160-K164 WeakPolarHBondContact O-CB 2.91Å; V160-K164 PolarHBondContact O-N 3.42Å; E161-K164 WeakPolarHBondContact O-CB 3.47Å; E161-K164 PolarHBondContact O-N 3.39Å; E161-K164 VanDerWaalsContact O-N 3.11Å; K164-G167 PolarHBondContact O-N 3.44Å; K164-G168 PolarHBondContact O-N 2.93Å
165Q80.1Confident81.3Confident113 Ų11389.7 Ų89.753%0.52847%0.466SS..Hα-helixtrans-62.6-50.2173.8-67.1175.15.500111.5E161 T162 R163 G167 G168 L169E161-Q165 WeakPolarHBondContact O-CG 3.43Å; E161-Q165 PolarHBondContact O-N 3.46Å; T162-Q165 PolarHBondContact O-N 3.2Å; R163-Q165 VanDerWaalsContact C-N 3.27Å; R163-Q165 PolarHBondContact O-N 3.36Å; Q165-G167 VanDerWaalsContact C-N 3.32Å; Q165-G167 PolarHBondContact O-N 3.34Å; Q165-G168 PolarHBondContact O-N 2.91Å; Q165-L169 WeakPolarHBondContact O-CG 3.25Å; Q165-L169 PolarHBondContact O-N 3.09Å
166I83.3Confident81.7Confident80 Ų8091.8 Ų91.841%0.4148%0.475SS..Hα-helixtrans-57.9-44.7177.7-67.2164.2000111.3T162 R163 G168 L169 Q170T162-I166 HydrophobicContact CG2-CD1 4.04Å; T162-I166 VanDerWaalsContact O-CG1 3.27Å; T162-I166 WeakPolarHBondContact O-CG1 3.44Å; T162-I166 PolarHBondContact O-N 3.04Å; R163-I166 PolarHBondContact O-N 2.82Å; I166-G168 PolarHBondContact O-N 3.43Å; I166-L169 PolarHBondContact O-N 3.43Å; I166-Q170 HydrophobicContact CG2-CG 4.38Å; I166-Q170 WeakPolarHBondContact O-CB 3.2Å; I166-Q170 WeakPolarHBondContact O-CG 3.45Å; I166-Q170 PolarHBondContact O-N 2.85Å
167G80.8Confident82.4Confident34 Ų3494.8 Ų94.835%0.35147%0.472SS..Hα-helixtrans-65.1-37.9178.500000113R163 K164 Q165 K171R163-G167 PolarHBondContact O-N 2.96Å; K164-G167 PolarHBondContact O-N 3.44Å; Q165-G167 VanDerWaalsContact C-N 3.32Å; Q165-G167 PolarHBondContact O-N 3.34Å; G167-K171 PolarHBondContact O-N 3.46Å; G167-K171 VanDerWaalsContact O-N 3.08Å
168G82.1Confident83.4Confident45 Ų4598.2 Ų98.246%0.46449%0.489SS..Hα-helixtrans-63.8-45.4173.200000112.2K164 Q165 I166 K171 R172K164-G168 PolarHBondContact O-N 2.93Å; Q165-G168 PolarHBondContact O-N 2.91Å; I166-G168 PolarHBondContact O-N 3.43Å; G168-K171 PolarHBondContact O-N 3.48Å; G168-R172 PolarHBondContact O-N 3.2Å
169L84.6Confident84.2Confident115 Ų11595.5 Ų95.560%0.60248%0.479SS*.Hα-helixtrans-62.3-44.9176.1-69.7172.1000111.8Q165 I166 K171 R172 I173Q165-L169 WeakPolarHBondContact O-CG 3.25Å; Q165-L169 PolarHBondContact O-N 3.09Å; I166-L169 PolarHBondContact O-N 3.43Å; L169-K171 PolarHBondContact O-N 3.15Å; L169-R172 PolarHBondContact O-N 3.17Å; L169-R172 VanDerWaalsContact O-N 3.15Å; L169-I173 VanDerWaalsContact O-CG1 3.29Å; L169-I173 WeakPolarHBondContact O-CG1 3.48Å; L169-I173 PolarHBondContact O-N 2.78Å
170Q85.6Confident85.1Confident124 Ų12495 Ų9558%0.57948%0.477SS*.Hα-helixtrans-59.8-43.8177.3-77.2178.1-15.500112.5I166 R172 I173 Q174I166-Q170 HydrophobicContact CG2-CG 4.38Å; I166-Q170 WeakPolarHBondContact O-CB 3.2Å; I166-Q170 WeakPolarHBondContact O-CG 3.45Å; I166-Q170 PolarHBondContact O-N 2.85Å; Q170-R172 VanDerWaalsContact C-N 3.31Å; Q170-R172 PolarHBondContact O-N 2.84Å; Q170-I173 PolarHBondContact O-N 2.94Å; Q170-Q174 PolarHBondContact O-N 3.3Å
171K85.8Confident86.1Confident134 Ų13495.2 Ų95.258%0.58348%0.484SS*.Hα-helixtrans-60.8-43.5175.3-170.6-173.1177.8-159.40110.9G167 G168 L169 I173 Q174 E175G167-K171 PolarHBondContact O-N 3.46Å; G167-K171 VanDerWaalsContact O-N 3.08Å; G168-K171 PolarHBondContact O-N 3.48Å; L169-K171 PolarHBondContact O-N 3.15Å; K171-I173 PolarHBondContact O-N 3.19Å; K171-Q174 PolarHBondContact O-N 3.07Å; K171-E175 WeakPolarHBondContact CE-OE1 3.31Å; K171-E175 IonicContact NZ-OE1 3.66Å; K171-E175 WeakPolarHBondContact O-CG 3.36Å; K171-E175 PolarHBondContact O-N 3Å
172R88.6Confident87.2Confident126 Ų12696.7 Ų96.748%0.47549%0.491SS..Hα-helixtrans-65.3-39.3178.9-173.758.5-178.3164.36.3112.5G168 L169 Q170 Q174 E175 L176G168-R172 PolarHBondContact O-N 3.2Å; L169-R172 PolarHBondContact O-N 3.17Å; L169-R172 VanDerWaalsContact O-N 3.15Å; Q170-R172 VanDerWaalsContact C-N 3.31Å; Q170-R172 PolarHBondContact O-N 2.84Å; R172-Q174 VanDerWaalsContact C-N 3.34Å; R172-E175 IonicContact NH1-OE2 3.17Å; R172-E175 PolarHBondContact NH1-OE2 3.14Å; R172-E175 VanDerWaalsContact NH1-OE2 3.11Å; R172-E175 PolarHBondContact O-N 2.84Å; R172-L176 HydrophobicContact CG-CD1 4.06Å; R172-L176 HydrophobicContact CG-CG 4.42Å; R172-L176 WeakPolarHBondContact O-CB 3.18Å; R172-L176 VanDerWaalsContact O-CG 3.27Å; R172-L176 WeakPolarHBondContact O-CG 3.43Å; R172-L176 PolarHBondContact O-N 3.03Å
173I92.7Very high88.1Confident90 Ų9097.1 Ų97.146%0.46249%0.49SS..Hα-helixtrans-59.2-47.9174.3-69.2166.5000109.7L169 Q170 K171 E175 L176 E177L169-I173 VanDerWaalsContact O-CG1 3.29Å; L169-I173 WeakPolarHBondContact O-CG1 3.48Å; L169-I173 PolarHBondContact O-N 2.78Å; Q170-I173 PolarHBondContact O-N 2.94Å; K171-I173 PolarHBondContact O-N 3.19Å; I173-E175 PolarHBondContact O-N 2.62Å; I173-L176 PolarHBondContact O-N 3.2Å; I173-E177 HydrophobicContact CG2-CG 4.27Å; I173-E177 WeakPolarHBondContact O-CB 3.33Å; I173-E177 WeakPolarHBondContact O-CG 3.28Å; I173-E177 PolarHBondContact O-N 3.01Å
174Q90.2Very high89.1Confident130 Ų13097.6 Ų97.661%0.60750%0.496SS*.Hα-helixtrans-60.9-43.8179.3-172.6176.413.300112.5Q170 K171 R172 E177 T178Q170-Q174 PolarHBondContact O-N 3.3Å; K171-Q174 PolarHBondContact O-N 3.07Å; R172-Q174 VanDerWaalsContact C-N 3.34Å; Q174-E177 PolarHBondContact O-N 2.87Å; Q174-T178 WeakPolarHBondContact O-CG2 3.45Å; Q174-T178 PolarHBondContact O-N 3.18Å; Q174-T178 PolarHBondContact O-OG1 3.41Å
175E92.1Very high89.9Confident71 Ų7199.1 Ų99.133%0.33250%0.503SS..Hα-helixtrans-59.6-47.6174.7-71.9169.1-171.500111.4K171 R172 I173 E177 T178 E179K171-E175 WeakPolarHBondContact CE-OE1 3.31Å; K171-E175 IonicContact NZ-OE1 3.66Å; K171-E175 WeakPolarHBondContact O-CG 3.36Å; K171-E175 PolarHBondContact O-N 3Å; R172-E175 IonicContact NH1-OE2 3.17Å; R172-E175 PolarHBondContact NH1-OE2 3.14Å; R172-E175 VanDerWaalsContact NH1-OE2 3.11Å; R172-E175 PolarHBondContact O-N 2.84Å; I173-E175 PolarHBondContact O-N 2.62Å; E175-E177 VanDerWaalsContact C-N 3.31Å; E175-E177 PolarHBondContact O-N 2.99Å; E175-T178 WeakPolarHBondContact CA-OG1 3.2Å; E175-T178 PolarHBondContact O-N 3.36Å; E175-T178 PolarHBondContact O-OG1 3.05Å; E175-E179 WeakPolarHBondContact O-CB 3.49Å; E175-E179 PolarHBondContact O-N 3.43Å
176L92.8Very high90.6Very high68 Ų6898.1 Ų98.136%0.35650%0.498SS..Hα-helixtrans-64.9-33.6178.8-73172.7000112.8R172 I173 N180R172-L176 HydrophobicContact CG-CD1 4.06Å; R172-L176 HydrophobicContact CG-CG 4.42Å; R172-L176 WeakPolarHBondContact O-CB 3.18Å; R172-L176 VanDerWaalsContact O-CG 3.27Å; R172-L176 WeakPolarHBondContact O-CG 3.43Å; R172-L176 PolarHBondContact O-N 3.03Å; I173-L176 PolarHBondContact O-N 3.2Å; L176-N180 VanDerWaalsContact O-CB 3.25Å; L176-N180 WeakPolarHBondContact O-CB 3.41Å; L176-N180 PolarHBondContact O-N 3.37Å; L176-N180 PolarHBondContact O-ND2 2.86Å
177E92.1Very high91Very high128 Ų128100.1 Ų100.160%0.59851%0.509SS*.Hα-helixtrans-68.4-41.3174.7-76.4175.5169.800111.4I173 Q174 E175 N180 A181I173-E177 HydrophobicContact CG2-CG 4.27Å; I173-E177 WeakPolarHBondContact O-CB 3.33Å; I173-E177 WeakPolarHBondContact O-CG 3.28Å; I173-E177 PolarHBondContact O-N 3.01Å; Q174-E177 PolarHBondContact O-N 2.87Å; E175-E177 VanDerWaalsContact C-N 3.31Å; E175-E177 PolarHBondContact O-N 2.99Å; E177-N180 PolarHBondContact O-N 2.86Å; E177-A181 WeakPolarHBondContact O-CB 3.2Å; E177-A181 PolarHBondContact O-N 3.47Å
178T93.3Very high91.6Very high87 Ų87104 Ų10453%0.53452%0.518SS..Hα-helixtrans-65.2-44.1175.550.20000112.3Q174 E175 A181 E182Q174-T178 WeakPolarHBondContact O-CG2 3.45Å; Q174-T178 PolarHBondContact O-N 3.18Å; Q174-T178 PolarHBondContact O-OG1 3.41Å; E175-T178 WeakPolarHBondContact CA-OG1 3.2Å; E175-T178 PolarHBondContact O-N 3.36Å; E175-T178 PolarHBondContact O-OG1 3.05Å; T178-A181 PolarHBondContact O-N 2.95Å; T178-E182 PolarHBondContact O-N 2.78Å
179E93.9Very high92.1Very high98 Ų98106.7 Ų106.746%0.45852%0.518SS..Hα-helixtrans-64.3-42.6177-172.2177.5-179.100111E175 A181 E182 L183E175-E179 WeakPolarHBondContact O-CB 3.49Å; E175-E179 PolarHBondContact O-N 3.43Å; E179-A181 VanDerWaalsContact C-N 3.32Å; E179-A181 PolarHBondContact O-N 3.17Å; E179-E182 PolarHBondContact O-N 3.05Å; E179-L183 HydrophobicContact CG-CD1 4.23Å; E179-L183 WeakPolarHBondContact O-CB 3.41Å; E179-L183 WeakPolarHBondContact O-CG 3.2Å; E179-L183 PolarHBondContact O-N 2.93Å
180N94.7Very high92.3Very high86 Ų86106 Ų10646%0.4652%0.515SS..Hα-helixtrans-61.7-38.2173.9-93.1-61.4000112.9L176 E177 E182 K184L176-N180 VanDerWaalsContact O-CB 3.25Å; L176-N180 WeakPolarHBondContact O-CB 3.41Å; L176-N180 PolarHBondContact O-N 3.37Å; L176-N180 PolarHBondContact O-ND2 2.86Å; E177-N180 PolarHBondContact O-N 2.86Å; N180-E182 VanDerWaalsContact C-N 3.34Å; N180-K184 WeakPolarHBondContact O-CB 3.33Å; N180-K184 VanDerWaalsContact O-CG 3.26Å; N180-K184 WeakPolarHBondContact O-CG 3.35Å; N180-K184 PolarHBondContact O-N 3.49Å
181A95.9Very high92.5Very high62 Ų62106.2 Ų106.251%0.51252%0.516SS..Hα-helixtrans-65.6-39.8177.100000111.4E177 T178 E179 K185E177-A181 WeakPolarHBondContact O-CB 3.2Å; E177-A181 PolarHBondContact O-N 3.47Å; T178-A181 PolarHBondContact O-N 2.95Å; E179-A181 VanDerWaalsContact C-N 3.32Å; E179-A181 PolarHBondContact O-N 3.17Å; A181-K185 PolarHBondContact O-N 2.82Å; A181-K185 VanDerWaalsContact O-N 3.1Å
182E95.7Very high92.6Very high123 Ų123105.1 Ų105.158%0.57551%0.513SS*.Hα-helixtrans-67.3-46.5176.5-173.5165.3-163.900112.1T178 E179 N180 K184 K185 Q186T178-E182 PolarHBondContact O-N 2.78Å; E179-E182 PolarHBondContact O-N 3.05Å; N180-E182 VanDerWaalsContact C-N 3.34Å; E182-K184 VanDerWaalsContact C-N 3.34Å; E182-K184 PolarHBondContact O-N 2.86Å; E182-K185 WeakPolarHBondContact O-CB 3.19Å; E182-K185 PolarHBondContact O-N 3.3Å; E182-K185 VanDerWaalsContact O-N 3.12Å; E182-Q186 WeakPolarHBondContact O-CG 3.42Å; E182-Q186 PolarHBondContact O-N 3.23Å
183L94.4Very high92.2Very high81 Ų81104.9 Ų104.942%0.42452%0.517SS..Hα-helixtrans-61.2-41.1176.3-72.2172000112.1E179 K185 Q186 L187E179-L183 HydrophobicContact CG-CD1 4.23Å; E179-L183 WeakPolarHBondContact O-CB 3.41Å; E179-L183 WeakPolarHBondContact O-CG 3.2Å; E179-L183 PolarHBondContact O-N 2.93Å; L183-K185 VanDerWaalsContact C-N 3.31Å; L183-K185 PolarHBondContact O-N 2.95Å; L183-Q186 PolarHBondContact O-N 3.18Å; L183-L187 WeakPolarHBondContact O-CG 3.46Å; L183-L187 PolarHBondContact O-N 3.02Å
184K94.2Very high91.5Very high144 Ų144106.6 Ų106.663%0.62653%0.527SS*.Hα-helixtrans-61.3-39.8174.3-78.8177.2-178.3-179.60112.1N180 E182 L187 Q188N180-K184 WeakPolarHBondContact O-CB 3.33Å; N180-K184 VanDerWaalsContact O-CG 3.26Å; N180-K184 WeakPolarHBondContact O-CG 3.35Å; N180-K184 PolarHBondContact O-N 3.49Å; E182-K184 VanDerWaalsContact C-N 3.34Å; E182-K184 PolarHBondContact O-N 2.86Å; K184-L187 PolarHBondContact O-N 3.35Å; K184-Q188 PolarHBondContact O-N 3.02Å
185K94.6Very high90.4Very high142 Ų142107 Ų10762%0.61753%0.53SS*.Hα-helixtrans-64.4-44.4176.1-173.3-174.8173.6-168.90111.3A181 E182 L183 L187 Q188 E189A181-K185 PolarHBondContact O-N 2.82Å; A181-K185 VanDerWaalsContact O-N 3.1Å; E182-K185 WeakPolarHBondContact O-CB 3.19Å; E182-K185 PolarHBondContact O-N 3.3Å; E182-K185 VanDerWaalsContact O-N 3.12Å; L183-K185 VanDerWaalsContact C-N 3.31Å; L183-K185 PolarHBondContact O-N 2.95Å; K185-L187 VanDerWaalsContact C-N 3.34Å; K185-L187 PolarHBondContact O-N 2.87Å; K185-Q188 PolarHBondContact O-N 3.49Å; K185-E189 WeakPolarHBondContact O-CB 3.38Å; K185-E189 PolarHBondContact O-N 2.98Å
186Q94.8Very high88.9Confident93 Ų93109.9 Ų109.944%0.43555%0.546SS..Hα-helixtrans-61.3-42.4176.3-70.3178.6-6.100111.8E182 L183 Q188 E189 L190E182-Q186 WeakPolarHBondContact O-CG 3.42Å; E182-Q186 PolarHBondContact O-N 3.23Å; L183-Q186 PolarHBondContact O-N 3.18Å; Q186-Q188 PolarHBondContact O-N 3.1Å; Q186-E189 PolarHBondContact O-N 3.09Å; Q186-L190 VanDerWaalsContact O-CD1 3.28Å; Q186-L190 WeakPolarHBondContact O-CD1 3.45Å; Q186-L190 PolarHBondContact O-N 3.22Å
187L92.5Very high87.2Confident121 Ų121110.6 Ų110.663%0.63456%0.562SS**Hα-helixtrans-60.6-44.4175.6-76.4172.1000112L183 K184 K185 E189 L190 E191L183-L187 WeakPolarHBondContact O-CG 3.46Å; L183-L187 PolarHBondContact O-N 3.02Å; K184-L187 PolarHBondContact O-N 3.35Å; K185-L187 VanDerWaalsContact C-N 3.34Å; K185-L187 PolarHBondContact O-N 2.87Å; L187-E189 VanDerWaalsContact C-N 3.32Å; L187-E189 PolarHBondContact O-N 3.49Å; L187-L190 PolarHBondContact O-N 3.44Å; L187-E191 WeakPolarHBondContact O-CB 3.25Å; L187-E191 PolarHBondContact O-N 3.07Å
188Q92.6Very high85.2Confident115 Ų115112 Ų11254%0.53757%0.569SS.*Hα-helixtrans-63.2-39.4177.7-170.8177.8-6.200111.9K184 K185 Q186 E191 E192K184-Q188 PolarHBondContact O-N 3.02Å; K185-Q188 PolarHBondContact O-N 3.49Å; Q186-Q188 PolarHBondContact O-N 3.1Å; Q188-E191 PolarHBondContact O-N 3.11Å; Q188-E192 PolarHBondContact O-N 3.14Å
189E92.3Very high83Confident103 Ų103113.8 Ų113.848%0.48158%0.579SS.*Hα-helixtrans-69.5-37179.1-160.2168.1-151.100112.1K185 Q186 L187 Q193K185-E189 WeakPolarHBondContact O-CB 3.38Å; K185-E189 PolarHBondContact O-N 2.98Å; Q186-E189 PolarHBondContact O-N 3.09Å; L187-E189 VanDerWaalsContact C-N 3.32Å; L187-E189 PolarHBondContact O-N 3.49Å; E189-Q193 VanDerWaalsContact O-CG 3.26Å; E189-Q193 WeakPolarHBondContact O-CG 3.43Å; E189-Q193 PolarHBondContact O-N 3.15Å; E189-Q193 PolarHBondContact O-NE2 3.41Å
190L90.5Very high80.9Confident101 Ų101113.7 Ų113.753%0.52959%0.587SS.*Hα-helixtrans-67.2-40.8171.3-96.876.7000112Q186 L187 Q193 L194Q186-L190 VanDerWaalsContact O-CD1 3.28Å; Q186-L190 WeakPolarHBondContact O-CD1 3.45Å; Q186-L190 PolarHBondContact O-N 3.22Å; L187-L190 PolarHBondContact O-N 3.44Å; L190-Q193 PolarHBondContact O-N 3.15Å; L190-L194 PolarHBondContact O-N 3.49Å
191E89.6Confident78.5Confident128 Ų128115.5 Ų115.560%0.59860%0.603SS**Hα-helixtrans-63.8-44.9176.9-172.1174.7-167.100111L187 Q188 Q193 L194 M195L187-E191 WeakPolarHBondContact O-CB 3.25Å; L187-E191 PolarHBondContact O-N 3.07Å; Q188-E191 PolarHBondContact O-N 3.11Å; E191-Q193 VanDerWaalsContact C-N 3.33Å; E191-Q193 PolarHBondContact O-N 3.31Å; E191-L194 PolarHBondContact O-N 3.27Å; E191-M195 WeakPolarHBondContact O-CB 3.27Å; E191-M195 WeakPolarHBondContact O-CG 3.44Å; E191-M195 PolarHBondContact O-N 2.88Å
192E87.3Confident76.2Confident110 Ų110117.9 Ų117.951%0.51462%0.623SS.*Hα-helixtrans-59.8-41.7173.5-81.4-177.317600112.1Q188 L194 M195 I196Q188-E192 PolarHBondContact O-N 3.14Å; E192-L194 VanDerWaalsContact C-N 3.34Å; E192-L194 PolarHBondContact O-N 2.99Å; E192-M195 PolarHBondContact O-N 3.07Å; E192-I196 WeakPolarHBondContact O-CD1 3.43Å; E192-I196 WeakPolarHBondContact O-CG1 3.34Å; E192-I196 PolarHBondContact O-N 3.31Å
193Q81.1Confident74Confident122 Ų122115.1 Ų115.157%0.5763%0.627SS**Hα-helixtrans-62.2-39.6175.5-75.5172.648.400112.6E189 L190 E191 A197E189-Q193 VanDerWaalsContact O-CG 3.26Å; E189-Q193 WeakPolarHBondContact O-CG 3.43Å; E189-Q193 PolarHBondContact O-N 3.15Å; E189-Q193 PolarHBondContact O-NE2 3.41Å; L190-Q193 PolarHBondContact O-N 3.15Å; E191-Q193 VanDerWaalsContact C-N 3.33Å; E191-Q193 PolarHBondContact O-N 3.31Å; Q193-A197 PolarHBondContact O-N 3.36Å
194L77.8Confident71.7Confident126 Ų126116.7 Ų116.766%0.6665%0.645SS**Hα-helixtrans-67.9-34.7174.6-84.4157.8000112.4L190 E191 E192L190-L194 PolarHBondContact O-N 3.49Å; E191-L194 PolarHBondContact O-N 3.27Å; E192-L194 VanDerWaalsContact C-N 3.34Å; E192-L194 PolarHBondContact O-N 2.99Å
195M65.8Low69.1Low138 Ų138115.9 Ų115.968%0.6865%0.652SS**Hα-helixtrans-74.2-31177.8-67.6-68.6-81.100112.7E191 E192E191-M195 WeakPolarHBondContact O-CB 3.27Å; E191-M195 WeakPolarHBondContact O-CG 3.44Å; E191-M195 PolarHBondContact O-N 2.88Å; E192-M195 PolarHBondContact O-N 3.07Å
196I60.8Low66.9Low131 Ų131115 Ų11567%0.67266%0.664SS**Hα-helixtrans-74.8-30.1175.7-66162.1000111.7E192 H198E192-I196 WeakPolarHBondContact O-CD1 3.43Å; E192-I196 WeakPolarHBondContact O-CG1 3.34Å; E192-I196 PolarHBondContact O-N 3.31Å; I196-H198 PolarHBondContact O-N 3.31Å
197A58.3Low64.4Low84 Ų84116.6 Ų116.669%0.69468%0.679SS**THydrogen-bonded Turntrans-72.5-9.7178.200000114.2Q193Q193-A197 PolarHBondContact O-N 3.36Å
198H49.6Very low62Low158 Ų158120 Ų12073%0.73169%0.689SS**THydrogen-bonded Turntrans-105.632.3-170.2-136.189.7000115.5I196 P200I196-H198 PolarHBondContact O-N 3.31Å; H198-P200 VanDerWaalsContact O-CD 3.26Å; H198-P200 WeakPolarHBondContact O-CD 3Å
199V47.2Very low59.4Low124 Ų124122.5 Ų122.575%0.75271%0.705SS**  trans-86.9107.4166.6-173.30000109.1
200P49.3Very low56.9Low96 Ų96126.1 Ų126.162%0.62372%0.722SS**PPolyproline II helixtrans-79.6138.6171.48.510.2000108.8H198 A202H198-P200 VanDerWaalsContact O-CD 3.26Å; H198-P200 WeakPolarHBondContact O-CD 3Å; P200-A202 PolarHBondContact O-N 2.89Å
201P44.2Very low54.8Low123 Ų123126.5 Ų126.580%0.79973%0.733SS**PPolyproline II helixtrans-64.1131.8159.9-0.215000107.8G203P201-G203 PolarHBondContact O-N 3.33Å
202A47.1Very low52.6Low112 Ų112126.4 Ų126.493%0.92674%0.742SS**SBendtrans-51.9124.6177.800000111.5P200P200-A202 PolarHBondContact O-N 2.89Å
203G50.2Low50.5Low65 Ų65126 Ų12667%0.6774%0.743SS**  trans116.798.9163.600000114P201P201-G203 PolarHBondContact O-N 3.33Å
204S45.5Very low49.4Very low114 Ų114126.1 Ų126.180%0.79775%0.752SS**  170.6132.4123.648.50000112.8
205V41.1Very low47.8Very low128 Ų128128.9 Ų128.978%0.77676%0.759SS**  trans42120.3157.1-63.70000121.6V207V205-V207 PolarHBondContact O-N 3.31Å
206S48.3Very low46.8Very low124 Ų124128.9 Ų128.987%0.86776%0.762SS**  trans-61.3115159.1178.60000110.6
207V41.8Very low46.1Very low125 Ų125130.8 Ų130.876%0.75877%0.77SS**  trans-112.6115.1160.7-176.70000107.3V205 L209V205-V207 PolarHBondContact O-N 3.31Å; V207-L209 PolarHBondContact O-N 3.04Å; V207-L209 VanDerWaalsContact O-N 3.15Å
208K41.2Very low45.8Very low194 Ų194131.6 Ų131.684%0.84377%0.766SS**  trans-67104.4179.2-166.8175.7-175.3179.10109Q210K208-Q210 PolarHBondContact O-N 3.22Å
209L39.5Very low45.5Very low166 Ų166129.6 Ų129.687%0.86977%0.767SS**  trans-75.8118171.4-156.874.1000108.4V207 S211V207-L209 PolarHBondContact O-N 3.04Å; V207-L209 VanDerWaalsContact O-N 3.15Å; L209-S211 PolarHBondContact O-N 3.47Å
210Q38.8Very low45Very low179 Ų179132.8 Ų132.884%0.83677%0.771SS**  trans-69.3116.2169.3-79-178.2-54.800108.5K208 T212K208-Q210 PolarHBondContact O-N 3.22Å; Q210-T212 PolarHBondContact O-N 3.42Å
211S46.3Very low44.4Very low109 Ų109133.1 Ų133.176%0.76278%0.775SS**  trans-65.7110.6168.2-176.50000108.9L209 D213L209-S211 PolarHBondContact O-N 3.47Å; S211-D213 PolarHBondContact O-N 3.33Å
212T44.4Very low43.8Very low126 Ų126133.2 Ų133.277%0.77377%0.774SS**  trans-84.792.4157.147.70000107Q210 V214Q210-T212 PolarHBondContact O-N 3.42Å; T212-V214 PolarHBondContact O-N 2.84Å
213D42.7Very low43.1Very low102 Ų102134.1 Ų134.155%0.54577%0.768SS.*  trans-63.8117.5166.4-164.1-19.6000108.4S211 F215S211-D213 PolarHBondContact O-N 3.33Å; D213-F215 PolarHBondContact OD1-N 3.21Å; D213-F215 VanDerWaalsContact OD1-N 3.09Å
214V57.7Low42.4Very low124 Ų124137.2 Ų137.275%0.75277%0.774SS**THydrogen-bonded Turntrans-85.21-178.5172.30000111.3T212T212-V214 PolarHBondContact O-N 2.84Å
215F44.5Very low42.4Very low185 Ų185137 Ų13781%0.81177%0.77SS**THydrogen-bonded Turntrans-119.821.6177.5-76.8-81.3000114.6D213 M217D213-F215 PolarHBondContact OD1-N 3.21Å; D213-F215 VanDerWaalsContact OD1-N 3.09Å; F215-M217 VanDerWaalsContact C-N 3.32Å; F215-M217 PolarHBondContact O-N 3.49Å; F215-M217 VanDerWaalsContact O-N 3.11Å
216D44.9Very low42Very low138 Ų138139.1 Ų139.174%0.73878%0.776SS**  trans-88.777.3171.6-135.1-1000110.4V218D216-V218 PolarHBondContact O-N 3.22Å
217M45.3Very low41.5Very low170 Ų170139.5 Ų139.584%0.83777%0.772SS**  trans-61.6126.5168.6-120-166.868.900109.5F215F215-M217 VanDerWaalsContact C-N 3.32Å; F215-M217 PolarHBondContact O-N 3.49Å; F215-M217 VanDerWaalsContact O-N 3.11Å
218V52.2Low41.6Very low101 Ų101139.4 Ų139.461%0.61277%0.774SS**  trans-40.4130.9177.6-1540000113.1D216 F220D216-V218 PolarHBondContact O-N 3.22Å; V218-F220 HydrophobicContact CB-CD2 4.47Å; V218-F220 HydrophobicContact CB-CE2 4.29Å; V218-F220 HydrophobicContact CG1-CD2 4.34Å; V218-F220 HydrophobicContact CG1-CE2 3.97Å; V218-F220 PolarHBondContact O-N 3.42Å
219P43.9Very low41Very low116 Ų116136.4 Ų136.475%0.75378%0.778SS**  trans-82.8113.1170.831.6-28000109.3
220F36.3Very low40.5Very low191 Ų191140.1 Ų140.184%0.83878%0.781SS**  trans-100.6121159.6-78.3-78.6000109.3V218V218-F220 HydrophobicContact CB-CD2 4.47Å; V218-F220 HydrophobicContact CB-CE2 4.29Å; V218-F220 HydrophobicContact CG1-CD2 4.34Å; V218-F220 HydrophobicContact CG1-CE2 3.97Å; V218-F220 PolarHBondContact O-N 3.42Å
221S35.9Very low40.2Very low103 Ų103136.1 Ų136.172%0.7278%0.778SS**  trans-79.4136.8-177.3-71.50000113.9
222T32Very low39.5Very low126 Ų126136.4 Ų136.477%0.77378%0.78SS**  trans67.4143.3134.658.90000123.4
223V33.4Very low39.2Very low130 Ų130138.1 Ų138.179%0.78879%0.785SS**  trans100.6121.3157.4-175.80000113.5
224T33.9Very low38.7Very low130 Ų130136.9 Ų136.980%0.79880%0.796SS**  cis-164.8170.26.62.70000108.9
225P45.4Very low37.7Very low110 Ų110137 Ų13771%0.71480%0.8SS**  trans-103.2148.6-166.137.7-29.1000114.9
226L32.8Very low37.7Very low172 Ų172133.4 Ų133.490%0.90180%0.796SS**  trans-147.8108.9159.8-76.7178.3000113
227V38Very low37.8Very low132 Ų132132.4 Ų132.480%0.880%0.797SS**  trans28.2140.7140.9-169.50000121.6
228P44.3Very low37.7Very low123 Ų123129.9 Ų129.980%0.79979%0.793SS**  trans-95.3154.5-178.533.9-22.9000114.3
229S29.1Very low37.3Very low132 Ų132130.7 Ų130.792%0.92380%0.801SS**  trans-137.5152.9164.867.30000112
230R29.5Very low37.2Very low244 Ų244130.9 Ų130.992%0.92180%0.802SS**  trans-122.4145.9-156-158.3-173.5-174.9-1782.2110.7
231A31.3Very low37.6Very low94 Ų94128.8 Ų128.878%0.77781%0.805SS**  trans64.5132.7153.100000120.6
232S33Very low37.6Very low116 Ų116129 Ų12981%0.81181%0.806SS**  172.9143.6106-1780000112.8
233N36.5Very low37.9Very low162 Ų162131.2 Ų131.287%0.86681%0.813SS**  trans-59.9149.9169.9-62.5-34.9000113
234G32.3Very low38.1Very low76 Ų76130.2 Ų130.278%0.78481%0.809SS**  trans174.8114.4164.100000113
235C36.9Very low38.7Very low125 Ų125129.9 Ų129.985%0.84581%0.809SS**PPolyproline II helixtrans-62.7145.5179.9-147.50000112.9
236P45.9Very low38.7Very low111 Ų111131.3 Ų131.372%0.72181%0.81SS**PPolyproline II helixtrans-84.6151.5169.532.1-30000112.6
237P46Very low39Very low117 Ų117132.5 Ų132.576%0.7681%0.814SS**PPolyproline II helixtrans-80.9165.8170.134.1-32.1000111.9
238P44.2Very low39.5Very low117 Ų117130.5 Ų130.576%0.7681%0.806SS**PPolyproline II helixtrans-80.8160-167.834.4-34.4000112.7
239P43.5Very low39.7Very low118 Ų118133.8 Ų133.877%0.76681%0.807SS**PPolyproline II helixtrans-78.7149175.931.7-31.9000111.7
240P40.3Very low40.3Very low120 Ų120133.9 Ų133.978%0.77980%0.797SS**PPolyproline II helixtrans-75.1140.3161.76.57.9000111S242P240-S242 PolarHBondContact O-N 3.06Å
241T45.7Very low41.4Very low147 Ų147130.4 Ų130.490%0.90280%0.796SS**  trans-66.9111.7172.3-37.30000111
242S36.2Very low42.2Very low106 Ų106135.3 Ų135.374%0.74180%0.801SS**  trans-161.6102.715350.20000111.1P240P240-S242 PolarHBondContact O-N 3.06Å
243L37.5Very low43Very low174 Ų174132.8 Ų132.891%0.91179%0.792SS**PPolyproline II helixtrans-74.3135163.1-77.3160.2000109.5
244P37.8Very low43.9Very low109 Ų109128.7 Ų128.771%0.70878%0.781SS**PPolyproline II helixtrans-90.7149.6145.47.212.2000109.9
245P46Very low44.7Very low123 Ų123133.3 Ų133.380%0.79978%0.783SS**PPolyproline II helixtrans-82.2153-171.134.6-33.3000111.7
246D45.4Very low45.1Very low140 Ų140133.1 Ų133.175%0.74978%0.78SS**  trans80.182154.4-138.7-1.3000117.7
247M38.8Very low45.3Very low196 Ų196136.9 Ų136.997%0.96679%0.785SS**  trans-136.397.3143.2-70.7-165.969.100108.2
248S48.5Very low45.5Very low91 Ų91135 Ų13564%0.63677%0.768SS**  trans-74.6135.8178.724.40000111
249K48.6Very low45.7Very low191 Ų191134.2 Ų134.283%0.8376%0.764SS**  trans91112.5167.5-58.6169.9179.8175.20117.2
250D43.1Very low45.8Very low134 Ų134137.7 Ų137.772%0.71777%0.767SS**  trans-73.3154.6163.2-121.2-14.9000110.7F252 G253D250-F252 PolarHBondContact O-N 2.79Å; D250-G253 PolarHBondContact O-N 3.43Å
251L52.3Low46.1Very low171 Ų171136.8 Ų136.890%0.89576%0.759SS**THydrogen-bonded Turntrans-58.5-3.7-175.2-87.4158.5000115.9
252F47Very low46Very low198 Ų198134.1 Ų134.187%0.86875%0.746SS**THydrogen-bonded Turntrans-1167.2175.3-72.2-82.6000114D250 A254D250-F252 PolarHBondContact O-N 2.79Å; F252-A254 PolarHBondContact O-N 2.96Å; F252-A254 VanDerWaalsContact O-N 3.15Å
253G51.3Low46.6Very low62 Ų62132.1 Ų132.164%0.63974%0.741SS**  trans67.113.3172.200000115.6D250D250-G253 PolarHBondContact O-N 3.43Å
254A53.7Low47.1Very low76 Ų76129.2 Ų129.263%0.62874%0.743SS**PPolyproline II helixtrans-85.1126.8175.700000110.3F252F252-A254 PolarHBondContact O-N 2.96Å; F252-A254 VanDerWaalsContact O-N 3.15Å
255E49.3Very low47.5Very low174 Ų174126.3 Ų126.381%0.81373%0.728SS**PPolyproline II helixtrans-74.8149.5171.5-65.9-152.314600111F257E255-F257 PolarHBondContact O-N 2.79Å
256P47Very low47.7Very low121 Ų121128.5 Ų128.579%0.78673%0.733SS**PPolyproline II helixtrans-64.2134.7174.5-7.722.9000109.1D258P256-D258 PolarHBondContact O-N 2.84Å; P256-D258 VanDerWaalsContact O-N 3.13Å
257F49.9Very low48.1Very low190 Ų190126.6 Ų126.683%0.83372%0.718SS**  trans-67.2113.6179.2-139.3-94.1000109.8E255E255-F257 PolarHBondContact O-N 2.79Å
258D50Low49.2Very low76 Ų76120.4 Ų120.441%0.40669%0.692SS.*  trans-100.4112173.8178.19.8000109.7P256 F260 T261P256-D258 PolarHBondContact O-N 2.84Å; P256-D258 VanDerWaalsContact O-N 3.13Å; D258-F260 PolarHBondContact O-N 2.95Å; D258-F260 VanDerWaalsContact O-N 3.09Å; D258-F260 PolarHBondContact OD1-N 2.84Å; D258-T261 WeakPolarHBondContact CB-OG1 3.32Å; D258-T261 VanDerWaalsContact CG-OG1 3.27Å; D258-T261 VanDerWaalsContact OD2-CG2 3.29Å; D258-T261 WeakPolarHBondContact OD2-CG2 3.39Å; D258-T261 PolarHBondContact OD2-OG1 3.13Å
259P48.7Very low49.7Very low102 Ų102121.1 Ų121.166%0.66270%0.695SS**THydrogen-bonded Turntrans-64.6-10.4-176.9-22.333.8000115.4
260F44.1Very low50.3Low190 Ų190117.3 Ų117.383%0.83368%0.684SS**THydrogen-bonded Turntrans-112.52.8-173.1-64.1-73.3000115.2D258D258-F260 PolarHBondContact O-N 2.95Å; D258-F260 VanDerWaalsContact O-N 3.09Å; D258-F260 PolarHBondContact OD1-N 2.84Å
261T47.2Very low51.4Low102 Ų102114.4 Ų114.463%0.62667%0.668SS**  trans-118.78.3-179.946.10000115D258 G263D258-T261 WeakPolarHBondContact CB-OG1 3.32Å; D258-T261 VanDerWaalsContact CG-OG1 3.27Å; D258-T261 VanDerWaalsContact OD2-CG2 3.29Å; D258-T261 WeakPolarHBondContact OD2-CG2 3.39Å; D258-T261 PolarHBondContact OD2-OG1 3.13Å; T261-G263 VanDerWaalsContact C-N 3.35Å; T261-G263 PolarHBondContact O-N 3.07Å
262C43.5Very low52.2Low91 Ų91110 Ų11062%0.61564%0.642SS**  trans-76.284-179.4-143.40000112
263G48.6Very low53.2Low63 Ų63104 Ų10465%0.64962%0.624SS**  trans-68.4145156.600000110.2T261 A265T261-G263 VanDerWaalsContact C-N 3.35Å; T261-G263 PolarHBondContact O-N 3.07Å; G263-A265 PolarHBondContact O-N 3.23Å
264A49.1Very low54Low113 Ų113107.6 Ų107.693%0.93462%0.623SS**  trans-12.888.4-177.200000115.4
265A44.8Very low54.7Low48 Ų48108 Ų10840%0.39761%0.614SS.*  trans-82.7127.3171.200000109.1G263 F267G263-A265 PolarHBondContact O-N 3.23Å; A265-F267 VanDerWaalsContact O-CD2 3.25Å; A265-F267 WeakPolarHBondContact O-CD2 3.44Å; A265-F267 PolarHBondContact O-N 2.93Å
266D51.5Low55.7Low170 Ų170104.3 Ų104.391%0.90960%0.6SS**  trans-61.6102.6164.8-91-41.9000108.3
267F53.5Low56.7Low100 Ų100105 Ų10544%0.43959%0.592SS.*  trans-70.4146.4173.8-68.2-83.7000109.9A265 I271 Q272A265-F267 VanDerWaalsContact O-CD2 3.25Å; A265-F267 WeakPolarHBondContact O-CD2 3.44Å; A265-F267 PolarHBondContact O-N 2.93Å; F267-I271 HydrophobicContact CB-CB 4.16Å; F267-I271 HydrophobicContact CB-CG2 4.17Å; F267-I271 HydrophobicContact CD1-CG2 3.82Å; F267-I271 HydrophobicContact CG-CG2 4.17Å; F267-Q272 HydrophobicContact CB-CB 4.43Å; F267-Q272 VanDerWaalsContact CD2-OE1 3.28Å
268P61.1Low57.5Low65 Ų65102.1 Ų102.142%0.42258%0.583SS.*  trans-58.1146.1170.728-34.7000109.7D270 I271 Q272P268-D270 WeakPolarHBondContact CB-OD1 3.45Å; P268-D270 PolarHBondContact O-N 3.28Å; P268-I271 HydrophobicContact CG-CB 4.42Å; P268-I271 HydrophobicContact CG-CD1 3.67Å; P268-I271 HydrophobicContact CG-CG1 4.02Å; P268-I271 PolarHBondContact O-N 2.88Å; P268-Q272 PolarHBondContact O-N 3.45Å
269P59.9Low58.2Low107 Ų107104.6 Ų104.670%0.69559%0.592SS**Hα-helixtrans-59.4-26-161.621.3-33.1000114.2S273P269-S273 VanDerWaalsContact O-CB 3.28Å; P269-S273 WeakPolarHBondContact O-CB 3.34Å; P269-S273 PolarHBondContact O-N 3.26Å
270D60.9Low59Low110 Ų110106.2 Ų106.259%0.58859%0.591SS**Hα-helixtrans-70.3-28.9175.549.3-51.6000113.9P268P268-D270 WeakPolarHBondContact CB-OD1 3.45Å; P268-D270 PolarHBondContact O-N 3.28Å
271I65.7Low59.9Low74 Ų7498.2 Ų98.238%0.37956%0.562SS.*Hα-helixtrans-86.2-39.9175-60.3179.7000110.1F267 P268 S273 K274 L275F267-I271 HydrophobicContact CB-CB 4.16Å; F267-I271 HydrophobicContact CB-CG2 4.17Å; F267-I271 HydrophobicContact CD1-CG2 3.82Å; F267-I271 HydrophobicContact CG-CG2 4.17Å; P268-I271 HydrophobicContact CG-CB 4.42Å; P268-I271 HydrophobicContact CG-CD1 3.67Å; P268-I271 HydrophobicContact CG-CG1 4.02Å; P268-I271 PolarHBondContact O-N 2.88Å; I271-S273 PolarHBondContact O-N 3.32Å; I271-K274 WeakPolarHBondContact O-CB 3.16Å; I271-K274 PolarHBondContact O-N 3.35Å; I271-K274 VanDerWaalsContact O-N 3.14Å; I271-L275 PolarHBondContact O-N 2.69Å
272Q70.3Confident60.3Low79 Ų7999.5 Ų99.537%0.36956%0.559SS.*Hα-helixtrans-63-43.3178-159.171.3-5.500111.7F267 P268 K274 L275 D276F267-Q272 HydrophobicContact CB-CB 4.43Å; F267-Q272 VanDerWaalsContact CD2-OE1 3.28Å; P268-Q272 PolarHBondContact O-N 3.45Å; Q272-K274 PolarHBondContact O-N 3.33Å; Q272-L275 PolarHBondContact O-N 3.28Å; Q272-L275 VanDerWaalsContact O-N 3.15Å; Q272-D276 PolarHBondContact O-N 2.99Å
273S66.8Low61Low70 Ų70104.1 Ų104.149%0.4957%0.568SS.*Hα-helixtrans-59.5-31.2175.1-178.10000113P269 I271 E277P269-S273 VanDerWaalsContact O-CB 3.28Å; P269-S273 WeakPolarHBondContact O-CB 3.34Å; P269-S273 PolarHBondContact O-N 3.26Å; I271-S273 PolarHBondContact O-N 3.32Å; S273-E277 PolarHBondContact O-N 2.94Å; S273-E277 VanDerWaalsContact O-N 3.15Å
274K68.7Low61.3Low139 Ų139108.5 Ų108.560%0.60457%0.574SS**Hα-helixtrans-78.4-34.1179.1-121.3164.2-179174.30112.1I271 Q272 M278I271-K274 WeakPolarHBondContact O-CB 3.16Å; I271-K274 PolarHBondContact O-N 3.35Å; I271-K274 VanDerWaalsContact O-N 3.14Å; Q272-K274 PolarHBondContact O-N 3.33Å; K274-M278 WeakPolarHBondContact O-CG 3.49Å; K274-M278 PolarHBondContact O-N 3.32Å; K274-M278 VanDerWaalsContact O-N 3.11Å
275L68.1Low61.4Low84 Ų84105.9 Ų105.944%0.4456%0.558SS.*Hα-helixtrans-66.3-43.6172.4-119.191.5000111I271 Q272 M278 Q279I271-L275 PolarHBondContact O-N 2.69Å; Q272-L275 PolarHBondContact O-N 3.28Å; Q272-L275 VanDerWaalsContact O-N 3.15Å; L275-M278 PolarHBondContact O-N 2.84Å; L275-Q279 WeakPolarHBondContact O-CB 3.29Å; L275-Q279 PolarHBondContact O-N 3.09Å
276D69.6Low61.8Low96 Ų96109.7 Ų109.751%0.51357%0.571SS.*Hα-helixtrans-63.2-43.5177.7-77.1-26.3000111.7Q272 M278 Q279 E280Q272-D276 PolarHBondContact O-N 2.99Å; D276-M278 VanDerWaalsContact C-N 3.35Å; D276-M278 PolarHBondContact O-N 3.19Å; D276-Q279 PolarHBondContact O-N 3.39Å; D276-E280 WeakPolarHBondContact O-CB 3.36Å; D276-E280 PolarHBondContact O-N 3.13Å
277E69.5Low61.9Low135 Ų135106.9 Ų106.963%0.63156%0.56SS**Hα-helixtrans-60-42.5173.6-99.9-174.216300112.4S273 G281S273-E277 PolarHBondContact O-N 2.94Å; S273-E277 VanDerWaalsContact O-N 3.15Å; E277-G281 PolarHBondContact O-N 3.11Å
278M65.7Low61.8Low131 Ų131110.5 Ų110.565%0.64558%0.581SS**Hα-helixtrans-66.5-40.7177.3-78.4-173.717100111.7K274 L275 D276 E280 G281 F282K274-M278 WeakPolarHBondContact O-CG 3.49Å; K274-M278 PolarHBondContact O-N 3.32Å; K274-M278 VanDerWaalsContact O-N 3.11Å; L275-M278 PolarHBondContact O-N 2.84Å; D276-M278 VanDerWaalsContact C-N 3.35Å; D276-M278 PolarHBondContact O-N 3.19Å; M278-E280 VanDerWaalsContact C-N 3.34Å; M278-G281 PolarHBondContact O-N 3.36Å; M278-F282 VanDerWaalsContact O-CD2 3.28Å; M278-F282 WeakPolarHBondContact O-CD2 3.39Å; M278-F282 PolarHBondContact O-N 3.27Å; M278-F282 VanDerWaalsContact O-N 3.07Å
279Q65.4Low60.8Low128 Ų128116 Ų11660%0.59860%0.601SS**Hα-helixtrans-69.3-33.1-179.6-165.9160.9-11.500112.1L275 D276 F282 K283L275-Q279 WeakPolarHBondContact O-CB 3.29Å; L275-Q279 PolarHBondContact O-N 3.09Å; D276-Q279 PolarHBondContact O-N 3.39Å; Q279-F282 PolarHBondContact O-N 3.15Å; Q279-K283 PolarHBondContact O-N 3.45Å; Q279-K283 VanDerWaalsContact O-N 3.15Å
280E64.3Low60.2Low136 Ų136113.8 Ų113.864%0.63660%0.597SS**Hα-helixtrans-69.4-35.8171.5-160.7165.4-153.300112D276 M278 K283 M284D276-E280 WeakPolarHBondContact O-CB 3.36Å; D276-E280 PolarHBondContact O-N 3.13Å; M278-E280 VanDerWaalsContact C-N 3.34Å; E280-K283 PolarHBondContact O-N 3.22Å; E280-M284 WeakPolarHBondContact O-CG 3.28Å; E280-M284 PolarHBondContact O-N 3.07Å; E280-M284 VanDerWaalsContact O-N 3.11Å
281G63.1Low59.2Low21 Ų21115 Ų11522%0.21661%0.609CS.*Hα-helixtrans-60-43.3170.500000113.5E277 M278 K283 M284 G285 L286E277-G281 PolarHBondContact O-N 3.11Å; M278-G281 PolarHBondContact O-N 3.36Å; G281-K283 VanDerWaalsContact C-N 3.35Å; G281-K283 PolarHBondContact O-N 3.09Å; G281-M284 PolarHBondContact O-N 3.42Å; G281-G285 PolarHBondContact O-N 2.88Å; G281-L286 WeakPolarHBondContact O-CB 3.47Å; G281-L286 PolarHBondContact O-N 3.49Å; G281-L286 VanDerWaalsContact O-N 3.09Å
282F57Low58.4Low130 Ų130117 Ų11757%0.5762%0.624SS**Hα-helixtrans-64.6-37.4174.9-85.6-75000112.6M278 Q279 M284 G285M278-F282 VanDerWaalsContact O-CD2 3.28Å; M278-F282 WeakPolarHBondContact O-CD2 3.39Å; M278-F282 PolarHBondContact O-N 3.27Å; M278-F282 VanDerWaalsContact O-N 3.07Å; Q279-F282 PolarHBondContact O-N 3.15Å; F282-M284 PolarHBondContact O-N 3.03Å; F282-G285 PolarHBondContact O-N 2.97Å; F282-G285 VanDerWaalsContact O-N 3.13Å
283K56.7Low56.7Low187 Ų187122.5 Ų122.581%0.81365%0.647SS**Hα-helixtrans-67.1-25.5176.4-165.7177.3178.7-172.70112.8Q279 E280 G281 G285Q279-K283 PolarHBondContact O-N 3.45Å; Q279-K283 VanDerWaalsContact O-N 3.15Å; E280-K283 PolarHBondContact O-N 3.22Å; G281-K283 VanDerWaalsContact C-N 3.35Å; G281-K283 PolarHBondContact O-N 3.09Å; K283-G285 VanDerWaalsContact C-N 3.33Å
284M55.4Low55.5Low155 Ų155124.2 Ų124.276%0.76466%0.659SS**THydrogen-bonded Turntrans-89.67.1175.2-66.4-70.5-8100113.4E280 G281 F282E280-M284 WeakPolarHBondContact O-CG 3.28Å; E280-M284 PolarHBondContact O-N 3.07Å; E280-M284 VanDerWaalsContact O-N 3.11Å; G281-M284 PolarHBondContact O-N 3.42Å; F282-M284 PolarHBondContact O-N 3.03Å
285G52.2Low54Low58 Ų58125.9 Ų125.960%0.59867%0.674SS**THydrogen-bonded Turntrans79.416.517500000114.9G281 F282 K283 T287G281-G285 PolarHBondContact O-N 2.88Å; F282-G285 PolarHBondContact O-N 2.97Å; F282-G285 VanDerWaalsContact O-N 3.13Å; K283-G285 VanDerWaalsContact C-N 3.33Å; G285-T287 PolarHBondContact O-N 3.28Å
286L53.3Low52.5Low128 Ų128128.8 Ų128.867%0.6769%0.69SS**  trans-85.693.9174.2-66.4168.9000109.2G281G281-L286 WeakPolarHBondContact O-CB 3.47Å; G281-L286 PolarHBondContact O-N 3.49Å; G281-L286 VanDerWaalsContact O-N 3.09Å
287T51.9Low51.6Low112 Ų112129.7 Ų129.769%0.68770%0.701SS**  trans-84.1127.8170.754.60000110.2G285 E289G285-T287 PolarHBondContact O-N 3.28Å; T287-E289 PolarHBondContact O-N 3.14Å; T287-E289 VanDerWaalsContact O-N 3.14Å
288M52.5Low50.2Low175 Ų175131.4 Ų131.486%0.86271%0.713SS**  trans-75.889.9166.5-86-85.8-65.900109.2
289E40.8Very low49.2Very low181 Ų181133.2 Ų133.285%0.84673%0.726SS**  trans-131128155.2-79-151.5133.300110.4T287T287-E289 PolarHBondContact O-N 3.14Å; T287-E289 VanDerWaalsContact O-N 3.14Å
290G45.8Very low47.9Very low60 Ų60130.6 Ų130.662%0.61973%0.733SS**  trans-66.9171.8166.100000111.4
291T40.4Very low47Very low137 Ų137135.9 Ų135.984%0.8475%0.748SS**SBendtrans74.298.8173.6120000116.2
292V48.2Very low45.8Very low115 Ų115144.7 Ų144.770%0.69780%0.803SS**  trans59.7132.2145.2-177.90000116.4
293F35Very low45.3Very low195 Ų195145.4 Ų145.486%0.85582%0.815SS**  -176.5130.9122.8-93.9-66.9000112.6
294S41.5Very low44.7Very low105 Ų105143.2 Ų143.273%0.73482%0.815SS**  trans-47.5145.3155.2-800000111.8
295L38.6Very low44.1Very low175 Ų175142.6 Ų142.692%0.91682%0.818SS**  trans-94.3100.6156.3-95.4134.5000108.2
296D35.6Very low43.6Very low145 Ų145147.5 Ų147.578%0.77583%0.831SS**  trans-83141.8151-94-37.6000108.8
297P49.8Very low43Very low115 Ų115148.8 Ų148.875%0.74784%0.841SS**  trans-91.1125.6175.229.4-19.3000110.3
298L41.5Very low42.4Very low170 Ų170151.2 Ų151.289%0.8985%0.851SS**  trans-105.9130.6164-77.3177000111.1
299D44.5Very low41.7Very low169 Ų169149.5 Ų149.590%0.90485%0.85SS**  trans-40.2153.4163.2-79.4-63000114.9
300G37.6Very low41.7Very low74 Ų74147.1 Ų147.176%0.76385%0.851SS**  trans-179.989.1163.800000113.8
301R45.5Very low41.4Very low247 Ų247154.3 Ų154.393%0.93287%0.87SS**  trans-52.5141.7167.2-64.2174.2-170.6-151.5-0112
302C38.4Very low41.5Very low205 Ų205155.9 Ų155.9100%1.38587%0.873SS**  -153.70117.9-87.10000108

Retrieved 302 of 302 residues in 195.7 ms (Link to these results)

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