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Sorting nexin-10

Probable phosphoinositide-binding protein involved in protein sorting and membrane trafficking in endosomes. Plays a role in cilium biogenesis through regulation of the transport and the localization of proteins to the cilium. Required for the localization to the cilium of V-ATPase subunit ATP6V1D and ATP6V0D1, and RAB8A. Involved in osteoclast differentiation and therefore bone resorption.

AlphaFold DB , UniProt , Accession Q9Y5X0, Species HUMAN (Homo sapiens, Human), Gene SNX10, Length 201 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
1M52.1Low72.9Confident237 Ų237151.6 Ų151.6100%1.16773%0.727SS**  0100.90-165.6167.8-173.600106.8
2F53.9Low75Confident200 Ų200142.3 Ų142.388%0.87769%0.689SS**  trans-72.6134.4174.7-65.5-80.8000107.5E4F2-E4 PolarHBondContact O-N 3.13Å; F2-E4 VanDerWaalsContact O-N 3.16Å
3P56.7Low76.8Confident114 Ų114131.9 Ų131.974%0.7464%0.64SS**  trans-61.2121.8171.525.4-30.3000107.4Q5P3-Q5 PolarHBondContact O-N 2.84Å
4E61.4Low78.4Confident183 Ų183130.3 Ų130.386%0.85562%0.624SS**  trans-54.8112.6165.2-82.4-178.814200106.7F2 Q6F2-E4 PolarHBondContact O-N 3.13Å; F2-E4 VanDerWaalsContact O-N 3.16Å; E4-Q6 VanDerWaalsContact C-N 3.31Å; E4-Q6 PolarHBondContact O-N 3.48Å
5Q59.9Low79.8Confident189 Ų189121.6 Ų121.688%0.88358%0.582SS**  trans-61.1101.3169.4-75.9175.1-41.600106.5P3 K7P3-Q5 PolarHBondContact O-N 2.84Å; Q5-K7 PolarHBondContact O-N 2.75Å
6Q63.5Low80.9Confident191 Ų191121.3 Ų121.389%0.89357%0.573SS**  trans-58.1108.1174-73.9-177.8-5.300107.5E4 E8E4-Q6 VanDerWaalsContact C-N 3.31Å; E4-Q6 PolarHBondContact O-N 3.48Å; Q6-E8 PolarHBondContact O-N 3.01Å
7K77Confident81.9Confident165 Ų165117.5 Ų117.572%0.71756%0.557SS**PPolyproline II helixtrans-63.7124177.2-173.5175.9-179.1178.10107.9Q5 E9Q5-K7 PolarHBondContact O-N 2.75Å; K7-E9 PolarHBondContact O-N 3.48Å
8E90.3Very high82.8Confident172 Ų172113.9 Ų113.980%0.80455%0.545SS*.PPolyproline II helixtrans-51.9134.5178-170.2175.8-178.200110.7Q6 N39Q6-E8 PolarHBondContact O-N 3.01Å; E8-N39 PolarHBondContact O-ND2 3.49Å
9E93.4Very high83.5Confident115 Ų115114.7 Ų114.754%0.53754%0.542SS..PPolyproline II helixtrans-70.6132.1178.9-172175.317400110.1K7 N39 S40K7-E9 PolarHBondContact O-N 3.48Å; E9-N39 WeakPolarHBondContact CA-OD1 3.41Å; E9-S40 VanDerWaalsContact OE1-CA 3.23Å; E9-S40 WeakPolarHBondContact OE1-CA 3.18Å; E9-S40 WeakPolarHBondContact OE1-CB 3.4Å; E9-S40 PolarHBondContact OE1-OG 2.84Å
10F95.9Very high84.1Confident58 Ų58113.2 Ų113.225%0.25454%0.537SS..  trans-135.4144.6177.674.2-88.6000110.7H37 T38 N39F10-H37 AromaticContact CE2-CE1 3.98Å; F10-H37 AromaticContact CE2-ND1 3.84Å; F10-H37 WeakPolarHBondContact CE2-O 3.45Å; F10-H37 AromaticContact CZ-CE1 3.77Å; F10-H37 AromaticContact CZ-NE2 3.82Å; F10-T38 VanDerWaalsContact O-CA 3.28Å; F10-T38 WeakPolarHBondContact O-CA 3.37Å; F10-T38 VanDerWaalsContact O-CB 3.29Å; F10-T38 WeakPolarHBondContact O-CB 3.48Å; F10-T38 PolarHBondContact O-OG1 3.11Å; F10-N39 HydrophobicContact CD1-CB 4.31Å; F10-N39 VanDerWaalsContact CD1-CG 3.48Å; F10-N39 VanDerWaalsContact CD1-OD1 3.29Å; F10-N39 WeakPolarHBondContact CD1-OD1 3.35Å; F10-N39 HydrophobicContact CE1-CB 3.88Å; F10-N39 PolarHBondContact N-OD1 2.94Å; F10-N39 PolarHBondContact O-N 3.16Å; F10-N39 PolarHBondContact O-OD1 3.41Å
11V97.9Very high84.6Confident44 Ų44110.6 Ų110.627%0.26752%0.524SS..EExtended strand (participates in β ladder)trans-126.9106.9168.5-173.40000107.3T38 F43 L106V11-T38 WeakPolarHBondContact CG2-OG1 3.44Å; V11-F43 HydrophobicContact CB-CE2 4.43Å; V11-F43 HydrophobicContact CG1-CE2 3.68Å; V11-F43 HydrophobicContact CG1-CZ 3.66Å; V11-F43 HydrophobicContact CG2-CD2 4.48Å; V11-F43 HydrophobicContact CG2-CE2 3.79Å; V11-L106 HydrophobicContact CG1-CB 4.3Å; V11-L106 HydrophobicContact CG1-CD1 3.79Å; V11-L106 HydrophobicContact CG1-CG 4.44Å
12S98.2Very high86.4Confident39 Ų39107.5 Ų107.527%0.27350%0.504SS..EExtended strand (participates in β ladder)trans-99131174.7-62.10000110I36 H37S12-I36 WeakPolarHBondContact O-CA 3.29Å; S12-H37 WeakPolarHBondContact CB-O 3.35Å; S12-H37 PolarHBondContact N-O 3.28Å; S12-H37 PolarHBondContact O-N 2.7Å
13V98.7Very high87.8Confident8 Ų8103 Ų1035%0.04849%0.486CS..EExtended strand (participates in β ladder)trans-127.5137.6176.762.60000110.2I34 C35 I36 L102 R103 L106V13-I34 HydrophobicContact CG2-CG2 4.03Å; V13-C35 WeakPolarHBondContact CA-O 3.2Å; V13-I36 HydrophobicContact CB-CD1 3.64Å; V13-I36 HydrophobicContact CG2-CD1 3.55Å; V13-L102 HydrophobicContact CG1-CB 4.16Å; V13-L102 HydrophobicContact CG2-CB 3.97Å; V13-L102 HydrophobicContact CG2-CD1 3.82Å; V13-R103 HydrophobicContact CG1-CB 4.12Å; V13-L106 HydrophobicContact CB-CD1 3.73Å; V13-L106 HydrophobicContact CG1-CD1 3.8Å; V13-L106 HydrophobicContact CG2-CD1 4.24Å
14W98.8Very high89.1Confident109 Ų109102.6 Ų102.641%0.41348%0.477SS..EExtended strand (participates in β ladder)trans-129.3139.2172.3-58.5-87000109.9I34 C35 H37 E99W14-I34 WeakPolarHBondContact O-CA 3.08Å; W14-C35 HydrophobicContact CB-CB 4.47Å; W14-C35 HydrophobicContact CE3-CB 4.11Å; W14-C35 PolarHBondContact N-O 3.39Å; W14-C35 PolarHBondContact O-N 3.44Å; W14-H37 HydrophobicContact CH2-CB 4.08Å; W14-H37 HydrophobicContact CZ3-CB 3.75Å; W14-E99 WeakPolarHBondContact CA-OE2 3.08Å
15V98.7Very high89.8Confident0 Ų0103.7 Ų103.70%048%0.48CS..EExtended strand (participates in β ladder)trans-114.5118.2169.2-1770000107.5Y32 E33 I34 R95 L98 E99 L102V15-Y32 HydrophobicContact CG1-CD1 4.2Å; V15-Y32 HydrophobicContact CG1-CG 4.07Å; V15-E33 CarbonylContact C-O 3.56Å; V15-E33 WeakPolarHBondContact CA-O 3.36Å; V15-I34 HydrophobicContact CG2-CG1 4.48Å; V15-R95 HydrophobicContact CB-CG 4.34Å; V15-R95 HydrophobicContact CG1-CG 3.97Å; V15-R95 WeakPolarHBondContact O-CD 3.44Å; V15-R95 WeakPolarHBondContact O-CG 3.24Å; V15-R95 PolarHBondContact O-NH1 3Å; V15-L98 HydrophobicContact CG1-CB 4.14Å; V15-L98 HydrophobicContact CG2-CB 4.39Å; V15-E99 HydrophobicContact CB-CB 3.92Å; V15-E99 HydrophobicContact CB-CG 4.39Å; V15-E99 HydrophobicContact CG2-CB 3.92Å; V15-E99 HydrophobicContact CG2-CG 4.3Å; V15-E99 PolarHBondContact N-OE2 3.38Å; V15-L102 HydrophobicContact CG2-CD1 3.81Å
16R98.4Very high90.9Very high117 Ų117105.7 Ų105.744%0.44248%0.479SS..EExtended strand (participates in β ladder)trans-146.4-178.8-167.468.9-175.6-162.1-165.6-2.7112.7E33 C35R16-E33 HydrophobicContact CG-CB 4.09Å; R16-E33 IonicContact CZ-OE2 3.96Å; R16-E33 VanDerWaalsContact CZ-OE2 3.23Å; R16-E33 PolarHBondContact N-O 3.14Å; R16-E33 IonicContact NE-OE2 2.76Å; R16-E33 PolarHBondContact NE-OE2 3.17Å; R16-E33 IonicContact NH2-OE2 3.52Å; R16-E33 PolarHBondContact NH2-OE2 3.19Å; R16-E33 PolarHBondContact O-N 3.42Å; R16-C35 PolarHBondContact NE-SG 3.36Å; R16-C35 VanDerWaalsContact NE-SG 3.41Å; R16-C35 PolarHBondContact NH2-SG 2.66Å
17D97.9Very high92Very high56 Ų56101.9 Ų101.930%0.29946%0.462SS..EExtended strand (participates in β ladder)trans45.661.8169.6-18043.8000113.7R19 E33 R51D17-R19 VanDerWaalsContact CG-NE 3.31Å; D17-R19 PolarHBondContact O-N 3.21Å; D17-R19 IonicContact OD1-CZ 3.56Å; D17-R19 IonicContact OD1-NE 2.7Å; D17-R19 PolarHBondContact OD1-NE 3Å; D17-R19 VanDerWaalsContact OD1-NE 3.16Å; D17-R19 IonicContact OD1-NH2 2.81Å; D17-R19 IonicContact OD2-CZ 3.8Å; D17-R19 IonicContact OD2-NE 2.9Å; D17-R19 PolarHBondContact OD2-NE 3.43Å; D17-R19 IonicContact OD2-NH2 3.87Å; D17-R19 PolarHBondContact OD2-NH2 2.93Å; D17-E33 HydrophobicContact CB-CB 4.18Å; D17-R51 PolarHBondContact O-NH2 2.92Å; D17-R51 IonicContact OD2-CZ 3.04Å; D17-R51 IonicContact OD2-NH1 3.9Å; D17-R51 PolarHBondContact OD2-NH1 3.33Å
18P97.7Very high92.7Very high53 Ų5396.2 Ų96.234%0.34444%0.442SS..EExtended strand (participates in β ladder)trans-64.5127.1176.727.5-33.6000110.1I30 D31 Y32 V91P18-I30 HydrophobicContact CB-CG2 3.96Å; P18-D31 WeakPolarHBondContact CA-O 3.34Å; P18-Y32 HydrophobicContact CB-CD1 3.88Å; P18-Y32 HydrophobicContact CB-CE1 3.8Å; P18-V91 HydrophobicContact CB-CG1 3.32Å; P18-V91 HydrophobicContact CG-CG1 3.56Å
19R96.7Very high92.8Very high130 Ų13090.7 Ų90.749%0.49142%0.415SS..EExtended strand (participates in β ladder)trans-127142.9178.8-62.7-177.9-171.7-177.29.1111.1D17 Q21 I30 D31 R51D17-R19 VanDerWaalsContact CG-NE 3.31Å; D17-R19 PolarHBondContact O-N 3.21Å; D17-R19 IonicContact OD1-CZ 3.56Å; D17-R19 IonicContact OD1-NE 2.7Å; D17-R19 PolarHBondContact OD1-NE 3Å; D17-R19 VanDerWaalsContact OD1-NE 3.16Å; D17-R19 IonicContact OD1-NH2 2.81Å; D17-R19 IonicContact OD2-CZ 3.8Å; D17-R19 IonicContact OD2-NE 2.9Å; D17-R19 PolarHBondContact OD2-NE 3.43Å; D17-R19 IonicContact OD2-NH2 3.87Å; D17-R19 PolarHBondContact OD2-NH2 2.93Å; R19-Q21 PolarHBondContact O-N 3.12Å; R19-I30 VanDerWaalsContact O-CA 3.25Å; R19-I30 WeakPolarHBondContact O-CA 3.42Å; R19-D31 PolarHBondContact N-O 3.44Å; R19-D31 PolarHBondContact O-N 3.41Å; R19-D31 VanDerWaalsContact O-N 3.09Å; R19-R51 VanDerWaalsContact CG-NH2 3.28Å
20I95Very high92.9Very high83 Ų8386 Ų8643%0.42639%0.393SS..EExtended strand (participates in β ladder)trans-80.5116.1169.7-60.8172.4000107.5Y29 I30I20-Y29 CarbonylContact C-O 3.57Å; I20-Y29 WeakPolarHBondContact CA-O 3.32Å; I20-I30 HydrophobicContact CG1-CD1 4.23Å; I20-I30 HydrophobicContact CG1-CG1 3.87Å
21Q94.6Very high93Very high59 Ų5983.7 Ų83.728%0.27638%0.384SS..EExtended strand (participates in β ladder)trans-93.5137.6169.5-56.5-60-1800108.9R19 S28 Y29 D31R19-Q21 PolarHBondContact O-N 3.12Å; Q21-S28 CarbonylContact O-C 3.55Å; Q21-S28 WeakPolarHBondContact O-CA 3.5Å; Q21-Y29 HydrophobicContact CB-CD1 4.27Å; Q21-Y29 HydrophobicContact CB-CD2 3.98Å; Q21-Y29 HydrophobicContact CB-CE1 3.89Å; Q21-Y29 HydrophobicContact CB-CE2 3.55Å; Q21-Y29 HydrophobicContact CB-CG 4.33Å; Q21-Y29 VanDerWaalsContact CB-CZ 3.5Å; Q21-Y29 HydrophobicContact CG-CD2 4.18Å; Q21-Y29 HydrophobicContact CG-CE2 3.57Å; Q21-Y29 PolarHBondContact N-O 3.4Å; Q21-Y29 PolarHBondContact O-N 3.32Å; Q21-D31 HydrophobicContact CG-CB 4.33Å; Q21-D31 WeakPolarHBondContact CG-OD2 3.24Å; Q21-D31 VanDerWaalsContact NE2-CG 3.34Å; Q21-D31 PolarHBondContact NE2-OD1 2.85Å; Q21-D31 VanDerWaalsContact NE2-OD1 3.11Å; Q21-D31 PolarHBondContact NE2-OD2 3.02Å
22K90.4Very high93.1Very high172 Ų17281.7 Ų81.775%0.74837%0.371SS*.EExtended strand (participates in β ladder)trans-106.6107.3173.5-63.7-178179.6-179.20107.5
23E82.8Confident93.1Very high105 Ų10581.4 Ų81.449%0.49137%0.366SS..SBendtrans-75.7-48.5173.4-166.8166.9-16600108.8H27 Y29E23-H27 WeakPolarHBondContact CA-O 3.06Å; E23-H27 HydrophobicContact CB-CB 4.06Å; E23-H27 VanDerWaalsContact CB-O 3.24Å; E23-H27 WeakPolarHBondContact CB-O 3.2Å; E23-H27 PolarHBondContact N-O 2.85Å; E23-Y29 HydrophobicContact CB-CE1 4.25Å
24D82.8Confident93.1Very high106 Ų10681 Ų8157%0.56736%0.363SS*.SBendtrans-149.3-179173.5-74-51.6000110.6W26 H27D24-W26 PolarHBondContact O-N 3.12Å; D24-H27 PolarHBondContact N-O 3.26Å; D24-H27 PolarHBondContact O-N 2.88Å
25F77.9Confident93.1Very high206 Ų20676.1 Ų76.190%0.90435%0.346SS*.SBendtrans-50.2-32.3177.4-72.3-80.6000114.4
26W82.6Confident93Very high231 Ų23176.3 Ų76.388%0.87535%0.347SS*.SBendtrans-108.7-13.6-176.2-59.5106000113.9D24D24-W26 PolarHBondContact O-N 3.12Å
27H86Confident93Very high112 Ų11275 Ų7552%0.51935%0.345SS..  trans-116.288.9-170.3-61.5-45.4000109.3E23 D24E23-H27 WeakPolarHBondContact CA-O 3.06Å; E23-H27 HydrophobicContact CB-CB 4.06Å; E23-H27 VanDerWaalsContact CB-O 3.24Å; E23-H27 WeakPolarHBondContact CB-O 3.2Å; E23-H27 PolarHBondContact N-O 2.85Å; D24-H27 PolarHBondContact N-O 3.26Å; D24-H27 PolarHBondContact O-N 2.88Å
28S92Very high93.1Very high45 Ų4572.4 Ų72.432%0.31533%0.331SS..EExtended strand (participates in β ladder)trans-108.1146170.1-610000110.2Q21Q21-S28 CarbonylContact O-C 3.55Å; Q21-S28 WeakPolarHBondContact O-CA 3.5Å
29Y93.3Very high93Very high57 Ų5771.5 Ų71.522%0.22432%0.323CS..EExtended strand (participates in β ladder)trans-142.9162.6174.562.7-94.8000110.8I20 Q21 E23 D31 R53I20-Y29 CarbonylContact C-O 3.57Å; I20-Y29 WeakPolarHBondContact CA-O 3.32Å; Q21-Y29 HydrophobicContact CB-CD1 4.27Å; Q21-Y29 HydrophobicContact CB-CD2 3.98Å; Q21-Y29 HydrophobicContact CB-CE1 3.89Å; Q21-Y29 HydrophobicContact CB-CE2 3.55Å; Q21-Y29 HydrophobicContact CB-CG 4.33Å; Q21-Y29 VanDerWaalsContact CB-CZ 3.5Å; Q21-Y29 HydrophobicContact CG-CD2 4.18Å; Q21-Y29 HydrophobicContact CG-CE2 3.57Å; Q21-Y29 PolarHBondContact N-O 3.4Å; Q21-Y29 PolarHBondContact O-N 3.32Å; E23-Y29 HydrophobicContact CB-CE1 4.25Å; Y29-D31 HydrophobicContact CD2-CB 4.43Å; Y29-D31 HydrophobicContact CE2-CB 4.11Å; Y29-R53 VanDerWaalsContact CB-CZ 3.43Å; Y29-R53 HydrophobicContact CD2-CB 3.79Å; Y29-R53 HydrophobicContact CD2-CG 4.16Å; Y29-R53 HydrophobicContact CE2-CB 4.16Å; Y29-R53 HydrophobicContact CE2-CG 4.27Å; Y29-R53 VanDerWaalsContact CG-NH1 3.32Å
30I95.2Very high93Very high16 Ų1665.3 Ų65.38%0.08230%0.3CS..EExtended strand (participates in β ladder)trans-99.4129.1168.9-69179.4000109.5P18 R19 I20 Y32 R53 M85 V91P18-I30 HydrophobicContact CB-CG2 3.96Å; R19-I30 VanDerWaalsContact O-CA 3.25Å; R19-I30 WeakPolarHBondContact O-CA 3.42Å; I20-I30 HydrophobicContact CG1-CD1 4.23Å; I20-I30 HydrophobicContact CG1-CG1 3.87Å; I30-Y32 HydrophobicContact CG2-CD2 4.48Å; I30-Y32 HydrophobicContact CG2-CE1 4.13Å; I30-Y32 HydrophobicContact CG2-CE2 3.94Å; I30-R53 VanDerWaalsContact O-CB 3.23Å; I30-R53 WeakPolarHBondContact O-CB 3.5Å; I30-M85 HydrophobicContact CD1-CB 3.59Å; I30-M85 WeakPolarHBondContact CD1-O 3.33Å; I30-M85 HydrophobicContact CG1-CB 4.07Å; I30-V91 HydrophobicContact CD1-CB 4.49Å; I30-V91 HydrophobicContact CD1-CG1 4.14Å; I30-V91 HydrophobicContact CD1-CG2 3.47Å; I30-V91 VanDerWaalsContact CD1-CG2 3.47Å; I30-V91 HydrophobicContact CG2-CG1 4.44Å
31D97.7Very high93Very high10 Ų1069 Ų695%0.05332%0.318CS..EExtended strand (participates in β ladder)trans-107.4163.8162.768.11.9000110.9P18 R19 Q21 Y29 R51 R53P18-D31 WeakPolarHBondContact CA-O 3.34Å; R19-D31 PolarHBondContact N-O 3.44Å; R19-D31 PolarHBondContact O-N 3.41Å; R19-D31 VanDerWaalsContact O-N 3.09Å; Q21-D31 HydrophobicContact CG-CB 4.33Å; Q21-D31 WeakPolarHBondContact CG-OD2 3.24Å; Q21-D31 VanDerWaalsContact NE2-CG 3.34Å; Q21-D31 PolarHBondContact NE2-OD1 2.85Å; Q21-D31 VanDerWaalsContact NE2-OD1 3.11Å; Q21-D31 PolarHBondContact NE2-OD2 3.02Å; Y29-D31 HydrophobicContact CD2-CB 4.43Å; Y29-D31 HydrophobicContact CE2-CB 4.11Å; D31-R51 VanDerWaalsContact CG-NE 3.31Å; D31-R51 IonicContact OD1-CZ 3.65Å; D31-R51 IonicContact OD1-NE 3.35Å; D31-R51 PolarHBondContact OD1-NE 2.95Å; D31-R51 VanDerWaalsContact OD1-NE 3.16Å; D31-R51 IonicContact OD1-NH2 3.16Å; D31-R51 PolarHBondContact OD1-NH2 3.45Å; D31-R51 IonicContact OD2-CZ 2.7Å; D31-R51 IonicContact OD2-NE 3.9Å; D31-R51 PolarHBondContact OD2-NE 3.44Å; D31-R51 IonicContact OD2-NH2 2.96Å; D31-R53 HydrophobicContact CB-CB 4.29Å
32Y98.5Very high93.1Very high1 Ų169.1 Ų69.10%0.00432%0.324CS..EExtended strand (participates in β ladder)trans-126.2139.3-179.6-56.8-92000108.6V15 P18 I30 R51 R52 V91 R94 R95 L98V15-Y32 HydrophobicContact CG1-CD1 4.2Å; V15-Y32 HydrophobicContact CG1-CG 4.07Å; P18-Y32 HydrophobicContact CB-CD1 3.88Å; P18-Y32 HydrophobicContact CB-CE1 3.8Å; I30-Y32 HydrophobicContact CG2-CD2 4.48Å; I30-Y32 HydrophobicContact CG2-CE1 4.13Å; I30-Y32 HydrophobicContact CG2-CE2 3.94Å; Y32-R51 VanDerWaalsContact O-CA 3.31Å; Y32-R51 WeakPolarHBondContact O-CA 3.48Å; Y32-R52 PolarHBondContact N-O 3.48Å; Y32-R52 PolarHBondContact O-N 2.91Å; Y32-V91 HydrophobicContact CE1-CG1 4.2Å; Y32-R94 HydrophobicContact CE2-CG 4.39Å; Y32-R94 WeakPolarHBondContact OH-CD 3.25Å; Y32-R94 WeakPolarHBondContact OH-CG 3.28Å; Y32-R95 HydrophobicContact CD1-CB 3.95Å; Y32-R95 HydrophobicContact CD1-CG 4.05Å; Y32-R95 HydrophobicContact CE1-CB 3.77Å; Y32-R95 HydrophobicContact CE1-CG 4.37Å; Y32-L98 HydrophobicContact CD2-CD1 3.55Å; Y32-L98 HydrophobicContact CE2-CD1 3.64Å; Y32-L98 HydrophobicContact CG-CD1 4.05Å
33E98.6Very high93.5Very high34 Ų3461.2 Ų61.216%0.15929%0.29CS..EExtended strand (participates in β ladder)trans-75.4126.8169.1-169.2175.7-117.100109.1V15 R16 D17 V50V15-E33 CarbonylContact C-O 3.56Å; V15-E33 WeakPolarHBondContact CA-O 3.36Å; R16-E33 HydrophobicContact CG-CB 4.09Å; R16-E33 IonicContact CZ-OE2 3.96Å; R16-E33 VanDerWaalsContact CZ-OE2 3.23Å; R16-E33 PolarHBondContact N-O 3.14Å; R16-E33 IonicContact NE-OE2 2.76Å; R16-E33 PolarHBondContact NE-OE2 3.17Å; R16-E33 IonicContact NH2-OE2 3.52Å; R16-E33 PolarHBondContact NH2-OE2 3.19Å; R16-E33 PolarHBondContact O-N 3.42Å; D17-E33 HydrophobicContact CB-CB 4.18Å; E33-V50 CarbonylContact C-O 3.57Å; E33-V50 WeakPolarHBondContact CA-O 3.36Å
34I98.8Very high94.1Very high0 Ų058.6 Ų58.60%028%0.281CS..EExtended strand (participates in β ladder)trans-106.7123.3171.6-50.3172.2000107.2V13 W14 V15 C49 V50 R52 F57 L102 F120 L121V13-I34 HydrophobicContact CG2-CG2 4.03Å; W14-I34 WeakPolarHBondContact O-CA 3.08Å; V15-I34 HydrophobicContact CG2-CG1 4.48Å; I34-C49 VanDerWaalsContact O-CA 3.31Å; I34-C49 WeakPolarHBondContact O-CA 3.39Å; I34-V50 HydrophobicContact CB-CG2 3.85Å; I34-V50 HydrophobicContact CD1-CG2 4.14Å; I34-V50 HydrophobicContact CG1-CG2 4.35Å; I34-V50 PolarHBondContact N-O 3.47Å; I34-V50 PolarHBondContact O-N 3.23Å; I34-R52 HydrophobicContact CD1-CB 3.88Å; I34-R52 HydrophobicContact CD1-CG 3.66Å; I34-F57 HydrophobicContact CD1-CE1 4.24Å; I34-F57 HydrophobicContact CD1-CE2 4.06Å; I34-F57 HydrophobicContact CD1-CZ 3.47Å; I34-F57 VanDerWaalsContact CD1-CZ 3.47Å; I34-F57 HydrophobicContact CG1-CZ 4.04Å; I34-L102 HydrophobicContact CD1-CD1 4.15Å; I34-L102 HydrophobicContact CG1-CD1 4.4Å; I34-L102 HydrophobicContact CG2-CD1 3.71Å; I34-F120 HydrophobicContact CD1-CD1 4.34Å; I34-F120 HydrophobicContact CD1-CE1 3.51Å; I34-F120 HydrophobicContact CD1-CZ 4.09Å; I34-L121 HydrophobicContact CD1-CD2 4.44Å; I34-L121 HydrophobicContact CG2-CD2 3.86Å
35C98.5Very high94.8Very high6 Ų654.9 Ų54.94%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-113.8129.4175.7-58.60000109.8V13 W14 R16 S48 C49V13-C35 WeakPolarHBondContact CA-O 3.2Å; W14-C35 HydrophobicContact CB-CB 4.47Å; W14-C35 HydrophobicContact CE3-CB 4.11Å; W14-C35 PolarHBondContact N-O 3.39Å; W14-C35 PolarHBondContact O-N 3.44Å; R16-C35 PolarHBondContact NE-SG 3.36Å; R16-C35 VanDerWaalsContact NE-SG 3.41Å; R16-C35 PolarHBondContact NH2-SG 2.66Å; C35-S48 WeakPolarHBondContact CA-O 3.18Å; C35-C49 PolarHBondContact SG-SG 3.03Å
36I98.5Very high95.7Very high4 Ų449 Ų492%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-110.8137.6170.6-62.1-67.5000108.9S12 V13 T38 F43 T47 S48 L106 L121S12-I36 WeakPolarHBondContact O-CA 3.29Å; V13-I36 HydrophobicContact CB-CD1 3.64Å; V13-I36 HydrophobicContact CG2-CD1 3.55Å; I36-T38 HydrophobicContact CG2-CG2 3.98Å; I36-F43 HydrophobicContact CG2-CD1 4.24Å; I36-F43 HydrophobicContact CG2-CE1 4.05Å; I36-T47 VanDerWaalsContact O-CA 3.26Å; I36-T47 WeakPolarHBondContact O-CA 3.4Å; I36-S48 PolarHBondContact N-O 2.96Å; I36-S48 PolarHBondContact O-N 2.77Å; I36-S48 VanDerWaalsContact O-N 3.11Å; I36-L106 HydrophobicContact CD1-CD1 3.85Å; I36-L121 HydrophobicContact CD1-CD1 4.29Å; I36-L121 HydrophobicContact CD1-CD2 4.41Å; I36-L121 HydrophobicContact CG1-CB 4.36Å
37H98.3Very high96.4Very high88 Ų8842.6 Ų42.641%0.40722%0.221SC..EExtended strand (participates in β ladder)trans-135.7124163.9178.2-149000108.8F10 S12 W14 K46F10-H37 AromaticContact CE2-CE1 3.98Å; F10-H37 AromaticContact CE2-ND1 3.84Å; F10-H37 WeakPolarHBondContact CE2-O 3.45Å; F10-H37 AromaticContact CZ-CE1 3.77Å; F10-H37 AromaticContact CZ-NE2 3.82Å; S12-H37 WeakPolarHBondContact CB-O 3.35Å; S12-H37 PolarHBondContact N-O 3.28Å; S12-H37 PolarHBondContact O-N 2.7Å; W14-H37 HydrophobicContact CH2-CB 4.08Å; W14-H37 HydrophobicContact CZ3-CB 3.75Å; H37-K46 WeakPolarHBondContact CA-O 3.39Å
38T98.2Very high96.9Very high2 Ų237.8 Ų37.81%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-154.6151.8-173.4-175.90000111.9F10 V11 I36 S40 F43 K46F10-T38 VanDerWaalsContact O-CA 3.28Å; F10-T38 WeakPolarHBondContact O-CA 3.37Å; F10-T38 VanDerWaalsContact O-CB 3.29Å; F10-T38 WeakPolarHBondContact O-CB 3.48Å; F10-T38 PolarHBondContact O-OG1 3.11Å; V11-T38 WeakPolarHBondContact CG2-OG1 3.44Å; I36-T38 HydrophobicContact CG2-CG2 3.98Å; T38-S40 WeakPolarHBondContact OG1-CB 3.21Å; T38-S40 PolarHBondContact OG1-N 3.45Å; T38-F43 HydrophobicContact CG2-CB 3.78Å; T38-F43 HydrophobicContact CG2-CD1 4.38Å; T38-F43 HydrophobicContact CG2-CD2 3.8Å; T38-F43 HydrophobicContact CG2-CE2 4.45Å; T38-F43 HydrophobicContact CG2-CG 3.73Å; T38-K46 PolarHBondContact N-O 2.92Å; T38-K46 WeakPolarHBondContact O-CB 3.38Å; T38-K46 WeakPolarHBondContact O-CD 3.26Å
39N96.5Very high97.2Very high34 Ų3437.8 Ų37.818%0.18220%0.2CC..  trans-98.1-6.9162.961.4-9.2000112.8E8 E9 F10 M41 K46E8-N39 PolarHBondContact O-ND2 3.49Å; E9-N39 WeakPolarHBondContact CA-OD1 3.41Å; F10-N39 HydrophobicContact CD1-CB 4.31Å; F10-N39 VanDerWaalsContact CD1-CG 3.48Å; F10-N39 VanDerWaalsContact CD1-OD1 3.29Å; F10-N39 WeakPolarHBondContact CD1-OD1 3.35Å; F10-N39 HydrophobicContact CE1-CB 3.88Å; F10-N39 PolarHBondContact N-OD1 2.94Å; F10-N39 PolarHBondContact O-N 3.16Å; F10-N39 PolarHBondContact O-OD1 3.41Å; N39-M41 WeakPolarHBondContact O-CE 3.42Å; N39-K46 PolarHBondContact O-NZ 2.91Å
40S96.2Very high97.5Very high1 Ų135.4 Ų35.41%0.00719%0.191CC..  trans-52.3140.6-177.8177.60000113.4E9 T38 C42 K46E9-S40 VanDerWaalsContact OE1-CA 3.23Å; E9-S40 WeakPolarHBondContact OE1-CA 3.18Å; E9-S40 WeakPolarHBondContact OE1-CB 3.4Å; E9-S40 PolarHBondContact OE1-OG 2.84Å; T38-S40 WeakPolarHBondContact OG1-CB 3.21Å; T38-S40 PolarHBondContact OG1-N 3.45Å; S40-C42 VanDerWaalsContact C-N 3.26Å; S40-C42 WeakPolarHBondContact OG-CB 3.41Å; S40-C42 PolarHBondContact OG-N 3.29Å; S40-K46 PolarHBondContact O-NZ 3.19Å
41M95.9Very high97.6Very high160 Ų16037.9 Ų37.979%0.78820%0.2SC*.THydrogen-bonded Turntrans-79.7-9.6173.3-59.5-51.814200112.9N39 F43 K46N39-M41 WeakPolarHBondContact O-CE 3.42Å; M41-F43 PolarHBondContact O-N 3.05Å; M41-K46 PolarHBondContact SD-NZ 3.26Å; M41-K46 VanDerWaalsContact SD-NZ 3.43Å
42C96.3Very high97.6Very high61 Ų6137.7 Ų37.741%0.41220%0.198SC..THydrogen-bonded Turntrans-68.5-19.1172.8-61.80000112.6S40 H118S40-C42 VanDerWaalsContact C-N 3.26Å; S40-C42 WeakPolarHBondContact OG-CB 3.41Å; S40-C42 PolarHBondContact OG-N 3.29Å; C42-H118 PolarHBondContact O-CE1 3.37Å; C42-H118 PolarHBondContact O-NE2 3.45Å
43F97.9Very high97.6Very high6 Ų640 Ų403%0.02621%0.207CC..  trans-106.7132.4-176.5-70.8-98.6000111.9V11 I36 T38 M41 L106 L112 H118 L121 Q122V11-F43 HydrophobicContact CB-CE2 4.43Å; V11-F43 HydrophobicContact CG1-CE2 3.68Å; V11-F43 HydrophobicContact CG1-CZ 3.66Å; V11-F43 HydrophobicContact CG2-CD2 4.48Å; V11-F43 HydrophobicContact CG2-CE2 3.79Å; I36-F43 HydrophobicContact CG2-CD1 4.24Å; I36-F43 HydrophobicContact CG2-CE1 4.05Å; T38-F43 HydrophobicContact CG2-CB 3.78Å; T38-F43 HydrophobicContact CG2-CD1 4.38Å; T38-F43 HydrophobicContact CG2-CD2 3.8Å; T38-F43 HydrophobicContact CG2-CE2 4.45Å; T38-F43 HydrophobicContact CG2-CG 3.73Å; M41-F43 PolarHBondContact O-N 3.05Å; F43-L106 HydrophobicContact CZ-CD2 3.77Å; F43-L112 HydrophobicContact CE2-CD2 3.89Å; F43-L112 HydrophobicContact CZ-CD2 4.02Å; F43-H118 AromaticContact CD1-ND1 3.83Å; F43-L121 HydrophobicContact CE1-CD1 4.12Å; F43-Q122 HydrophobicContact CD1-CG 4.44Å
44T97.2Very high97.5Very high50 Ų5039.8 Ų39.831%0.30721%0.205SC..SBendtrans-64.1-45.5174.4-54.20000111.1E143 I146T44-E143 HydrophobicContact CG2-CG 3.68Å; T44-I146 HydrophobicContact CG2-CB 4.26Å; T44-I146 HydrophobicContact CG2-CG2 3.85Å
45M97.1Very high97.3Very high29 Ų2946.3 Ų46.314%0.14323%0.23CC..  trans-104.9133.3177-65.3-70.3162.900111.6T47 Q122 I146 H147 A150M45-T47 VanDerWaalsContact C-N 3.26Å; M45-T47 WeakPolarHBondContact CB-O 3.38Å; M45-T47 PolarHBondContact O-N 2.63Å; M45-Q122 PolarHBondContact O-NE2 3.26Å; M45-I146 HydrophobicContact CE-CG2 4.39Å; M45-I146 HydrophobicContact CG-CG2 3.64Å; M45-H147 HydrophobicContact CE-CB 4.26Å; M45-H147 WeakPolarHBondContact CE-ND1 3.44Å; M45-A150 HydrophobicContact CE-CB 3.27Å; M45-A150 HydrophobicContact CG-CB 3.97Å; M45-A150 HydrophobicContact SD-CB 3.51Å; M45-A150 VanDerWaalsContact SD-CB 3.51Å
46K96.7Very high97.3Very high81 Ų8147.5 Ų47.535%0.35223%0.234SC..SBendtrans-72.1-22.7175.9-57.1-56.1177.1-177.60113H37 T38 N39 S40 M41H37-K46 WeakPolarHBondContact CA-O 3.39Å; T38-K46 PolarHBondContact N-O 2.92Å; T38-K46 WeakPolarHBondContact O-CB 3.38Å; T38-K46 WeakPolarHBondContact O-CD 3.26Å; N39-K46 PolarHBondContact O-NZ 2.91Å; S40-K46 PolarHBondContact O-NZ 3.19Å; M41-K46 PolarHBondContact SD-NZ 3.26Å; M41-K46 VanDerWaalsContact SD-NZ 3.43Å
47T97.2Very high97.3Very high97 Ų9747.3 Ų47.360%0.59523%0.234SC*.EExtended strand (participates in β ladder)trans-135.2140.3169.163.30000110.5I36 M45I36-T47 VanDerWaalsContact O-CA 3.26Å; I36-T47 WeakPolarHBondContact O-CA 3.4Å; M45-T47 VanDerWaalsContact C-N 3.26Å; M45-T47 WeakPolarHBondContact CB-O 3.38Å; M45-T47 PolarHBondContact O-N 2.63Å
48S97.3Very high97.3Very high11 Ų1145.2 Ų45.28%0.07723%0.227CC..EExtended strand (participates in β ladder)trans-144.8152.2171.1680000110.7C35 I36 L121C35-S48 WeakPolarHBondContact CA-O 3.18Å; I36-S48 PolarHBondContact N-O 2.96Å; I36-S48 PolarHBondContact O-N 2.77Å; I36-S48 VanDerWaalsContact O-N 3.11Å; S48-L121 PolarHBondContact OG-O 2.97Å
49C97.6Very high97.3Very high46 Ų4646.6 Ų46.631%0.31123%0.232SC..EExtended strand (participates in β ladder)trans-137.5114.4173.6-72.20000108.3I34 C35 F149 N153I34-C49 VanDerWaalsContact O-CA 3.31Å; I34-C49 WeakPolarHBondContact O-CA 3.39Å; C35-C49 PolarHBondContact SG-SG 3.03Å; C49-F149 WeakPolarHBondContact O-CZ 3.39Å; C49-N153 PolarHBondContact O-ND2 2.73Å
50V98.3Very high97.4Very high6 Ų645 Ų454%0.03622%0.223CC..EExtended strand (participates in β ladder)trans-126.5160.4179.2-63.30000109.7E33 I34 R52 L121 S123 F149E33-V50 CarbonylContact C-O 3.57Å; E33-V50 WeakPolarHBondContact CA-O 3.36Å; I34-V50 HydrophobicContact CB-CG2 3.85Å; I34-V50 HydrophobicContact CD1-CG2 4.14Å; I34-V50 HydrophobicContact CG1-CG2 4.35Å; I34-V50 PolarHBondContact N-O 3.47Å; I34-V50 PolarHBondContact O-N 3.23Å; V50-R52 HydrophobicContact CG2-CG 4.3Å; V50-L121 WeakPolarHBondContact CG1-O 3.39Å; V50-S123 WeakPolarHBondContact CG1-O 3.34Å; V50-F149 HydrophobicContact CG1-CD1 4.41Å; V50-F149 HydrophobicContact CG1-CE1 3.54Å; V50-F149 HydrophobicContact CG1-CZ 3.91Å
51R98.2Very high97.5Very high69 Ų6948.5 Ų48.526%0.2624%0.236SC..EExtended strand (participates in β ladder)trans-116.1128.1173.1-58.9-168.170.482.78.6110D17 R19 D31 Y32D17-R51 PolarHBondContact O-NH2 2.92Å; D17-R51 IonicContact OD2-CZ 3.04Å; D17-R51 IonicContact OD2-NH1 3.9Å; D17-R51 PolarHBondContact OD2-NH1 3.33Å; R19-R51 VanDerWaalsContact CG-NH2 3.28Å; D31-R51 VanDerWaalsContact CG-NE 3.31Å; D31-R51 IonicContact OD1-CZ 3.65Å; D31-R51 IonicContact OD1-NE 3.35Å; D31-R51 PolarHBondContact OD1-NE 2.95Å; D31-R51 VanDerWaalsContact OD1-NE 3.16Å; D31-R51 IonicContact OD1-NH2 3.16Å; D31-R51 PolarHBondContact OD1-NH2 3.45Å; D31-R51 IonicContact OD2-CZ 2.7Å; D31-R51 IonicContact OD2-NE 3.9Å; D31-R51 PolarHBondContact OD2-NE 3.44Å; D31-R51 IonicContact OD2-NH2 2.96Å; Y32-R51 VanDerWaalsContact O-CA 3.31Å; Y32-R51 WeakPolarHBondContact O-CA 3.48Å
52R98.5Very high97.6Very high6 Ų646.8 Ų46.82%0.02323%0.226CC..EExtended strand (participates in β ladder)trans-136.4138.2-178.4-59.9-68.3-175.9178.8-2.8110.4Y32 I34 V50 E56 F57 L119 F120 S123 L125Y32-R52 PolarHBondContact N-O 3.48Å; Y32-R52 PolarHBondContact O-N 2.91Å; I34-R52 HydrophobicContact CD1-CB 3.88Å; I34-R52 HydrophobicContact CD1-CG 3.66Å; V50-R52 HydrophobicContact CG2-CG 4.3Å; R52-E56 VanDerWaalsContact CA-OE2 3.29Å; R52-E56 WeakPolarHBondContact CA-OE2 3.39Å; R52-E56 VanDerWaalsContact CD-OE1 3.28Å; R52-E56 WeakPolarHBondContact CD-OE1 3.26Å; R52-E56 IonicContact CZ-OE1 2.85Å; R52-E56 IonicContact NE-OE1 2.72Å; R52-E56 IonicContact NH1-OE1 4Å; R52-E56 PolarHBondContact NH1-OE1 2.71Å; R52-F57 HydrophobicContact CB-CD2 4.32Å; R52-F57 HydrophobicContact CB-CE2 3.78Å; R52-L119 PolarHBondContact NH2-O 3.07Å; R52-F120 HydrophobicContact CB-CE1 4.47Å; R52-F120 HydrophobicContact CB-CE2 4.16Å; R52-F120 HydrophobicContact CB-CZ 3.79Å; R52-F120 HydrophobicContact CG-CD1 4.5Å; R52-F120 HydrophobicContact CG-CD2 4.37Å; R52-F120 HydrophobicContact CG-CE1 3.98Å; R52-F120 HydrophobicContact CG-CE2 3.83Å; R52-F120 HydrophobicContact CG-CZ 3.61Å; R52-F120 PolarHBondContact NE-O 3.24Å; R52-F120 PolarHBondContact NH2-O 3.11Å; R52-S123 PolarHBondContact NH2-O 3.15Å; R52-L125 VanDerWaalsContact CZ-O 3.28Å; R52-L125 PolarHBondContact NH1-O 3.4Å; R52-L125 PolarHBondContact NH2-O 3.33Å
53R97Very high97.6Very high48 Ų4846.8 Ų46.818%0.18122%0.218CC..EExtended strand (participates in β ladder)trans-91.3159.4172.654.9177.1-63.6178.7-1.1111.3Y29 I30 D31 R55 E56Y29-R53 VanDerWaalsContact CB-CZ 3.43Å; Y29-R53 HydrophobicContact CD2-CB 3.79Å; Y29-R53 HydrophobicContact CD2-CG 4.16Å; Y29-R53 HydrophobicContact CE2-CB 4.16Å; Y29-R53 HydrophobicContact CE2-CG 4.27Å; Y29-R53 VanDerWaalsContact CG-NH1 3.32Å; I30-R53 VanDerWaalsContact O-CB 3.23Å; I30-R53 WeakPolarHBondContact O-CB 3.5Å; D31-R53 HydrophobicContact CB-CB 4.29Å; R53-R55 HydrophobicContact CG-CG 3.85Å; R53-R55 PolarHBondContact O-N 3.16Å; R53-E56 HydrophobicContact CG-CG 4.04Å; R53-E56 WeakPolarHBondContact CG-OE2 3.08Å; R53-E56 PolarHBondContact N-OE2 3Å; R53-E56 WeakPolarHBondContact O-CB 3.32Å; R53-E56 PolarHBondContact O-N 3.21Å
54Y96.9Very high97.6Very high30 Ų3046.5 Ų46.512%0.11822%0.216CC..Hα-helixtrans-51.8-36.2-176.4179.4-98.9000114.5E56 F57 V58 L76 P77 K79 R94 L98Y54-E56 VanDerWaalsContact C-N 3.25Å; Y54-E56 PolarHBondContact O-N 2.75Å; Y54-F57 WeakPolarHBondContact O-CB 3.49Å; Y54-F57 PolarHBondContact O-N 2.83Å; Y54-F57 VanDerWaalsContact O-N 3.17Å; Y54-V58 HydrophobicContact CD1-CG2 4.13Å; Y54-V58 HydrophobicContact CE1-CG2 3.57Å; Y54-V58 PolarHBondContact O-N 3.11Å; Y54-V58 VanDerWaalsContact O-N 3.15Å; Y54-L76 HydrophobicContact CE2-CB 4.47Å; Y54-P77 HydrophobicContact CE2-CG 4.03Å; Y54-P77 PolarHBondContact OH-O 3.44Å; Y54-K79 HydrophobicContact CE1-CB 4.45Å; Y54-K79 HydrophobicContact CE1-CG 4.32Å; Y54-R94 HydrophobicContact CD2-CG 4.11Å; Y54-L98 HydrophobicContact CD2-CD2 3.99Å; Y54-L98 HydrophobicContact CE2-CD2 4.33Å
55R95.9Very high97.7Very high138 Ų13846.9 Ų46.952%0.52121%0.214SC..Hα-helixtrans-61.3-34.4178.373.8175.1179-162.4-7112.6R53 F57 V58 W59R53-R55 HydrophobicContact CG-CG 3.85Å; R53-R55 PolarHBondContact O-N 3.16Å; R55-F57 VanDerWaalsContact C-N 3.34Å; R55-V58 WeakPolarHBondContact O-CB 3.39Å; R55-V58 PolarHBondContact O-N 2.94Å; R55-W59 PolarHBondContact O-N 2.81Å; R55-W59 VanDerWaalsContact O-N 3.09Å
56E98.3Very high97.6Very high31 Ų3148.3 Ų48.315%0.14523%0.228CC..Hα-helixtrans-72.6-31.8179.5-60.6171.590.500110.7R52 R53 Y54 W59 L60 F120R52-E56 VanDerWaalsContact CA-OE2 3.29Å; R52-E56 WeakPolarHBondContact CA-OE2 3.39Å; R52-E56 VanDerWaalsContact CD-OE1 3.28Å; R52-E56 WeakPolarHBondContact CD-OE1 3.26Å; R52-E56 IonicContact CZ-OE1 2.85Å; R52-E56 IonicContact NE-OE1 2.72Å; R52-E56 IonicContact NH1-OE1 4Å; R52-E56 PolarHBondContact NH1-OE1 2.71Å; R53-E56 HydrophobicContact CG-CG 4.04Å; R53-E56 WeakPolarHBondContact CG-OE2 3.08Å; R53-E56 PolarHBondContact N-OE2 3Å; R53-E56 WeakPolarHBondContact O-CB 3.32Å; R53-E56 PolarHBondContact O-N 3.21Å; Y54-E56 VanDerWaalsContact C-N 3.25Å; Y54-E56 PolarHBondContact O-N 2.75Å; E56-W59 PolarHBondContact O-N 3.43Å; E56-L60 WeakPolarHBondContact O-CB 3.46Å; E56-L60 PolarHBondContact O-N 3.34Å; E56-F120 HydrophobicContact CB-CE2 3.83Å
57F98.5Very high97.5Very high0 Ų048.4 Ų48.40%023%0.232CC..Hα-helixtrans-65.6-38.3170.7-77.7-95.4000112.5I34 R52 Y54 R55 W59 L60 R61 L76 L98 F101 L102 F120I34-F57 HydrophobicContact CD1-CE1 4.24Å; I34-F57 HydrophobicContact CD1-CE2 4.06Å; I34-F57 HydrophobicContact CD1-CZ 3.47Å; I34-F57 VanDerWaalsContact CD1-CZ 3.47Å; I34-F57 HydrophobicContact CG1-CZ 4.04Å; R52-F57 HydrophobicContact CB-CD2 4.32Å; R52-F57 HydrophobicContact CB-CE2 3.78Å; Y54-F57 WeakPolarHBondContact O-CB 3.49Å; Y54-F57 PolarHBondContact O-N 2.83Å; Y54-F57 VanDerWaalsContact O-N 3.17Å; R55-F57 VanDerWaalsContact C-N 3.34Å; F57-W59 VanDerWaalsContact C-N 3.35Å; F57-L60 PolarHBondContact O-N 2.87Å; F57-R61 PolarHBondContact O-N 2.94Å; F57-L76 HydrophobicContact CB-CD1 4.41Å; F57-L76 HydrophobicContact CB-CD2 3.89Å; F57-L76 HydrophobicContact CD1-CD2 4.35Å; F57-L76 WeakPolarHBondContact O-CD1 3.43Å; F57-L98 HydrophobicContact CB-CD2 3.89Å; F57-L98 HydrophobicContact CD1-CD2 3.63Å; F57-L98 HydrophobicContact CD2-CD1 4.08Å; F57-L98 HydrophobicContact CD2-CD2 3.93Å; F57-L98 HydrophobicContact CE1-CB 4.13Å; F57-L98 HydrophobicContact CE1-CD2 3.99Å; F57-L98 HydrophobicContact CE1-CG 4.47Å; F57-L98 HydrophobicContact CE2-CD1 3.87Å; F57-L98 HydrophobicContact CE2-CD2 4.29Å; F57-L98 HydrophobicContact CG-CD2 3.56Å; F57-L98 HydrophobicContact CZ-CB 4.19Å; F57-L98 HydrophobicContact CZ-CD1 4.15Å; F57-L98 HydrophobicContact CZ-CD2 4.3Å; F57-L98 HydrophobicContact CZ-CG 4.44Å; F57-F101 HydrophobicContact CD1-CD1 4.08Å; F57-F101 HydrophobicContact CD1-CE1 4.24Å; F57-L102 HydrophobicContact CE1-CD1 3.79Å; F57-L102 HydrophobicContact CE1-CD2 4.06Å; F57-L102 HydrophobicContact CE1-CG 3.85Å; F57-L102 HydrophobicContact CZ-CD1 4.21Å; F57-F120 HydrophobicContact CD1-CE1 4.32Å; F57-F120 AromaticContact CD1-CZ 3.96Å; F57-F120 HydrophobicContact CD1-CZ 3.96Å; F57-F120 AromaticContact CD2-CZ 3.89Å; F57-F120 HydrophobicContact CD2-CZ 3.89Å; F57-F120 HydrophobicContact CE1-CE1 4.07Å; F57-F120 HydrophobicContact CE1-CZ 4.03Å; F57-F120 AromaticContact CE2-CZ 3.94Å; F57-F120 HydrophobicContact CE2-CZ 3.94Å; F57-F120 AromaticContact CG-CZ 3.92Å; F57-F120 HydrophobicContact CG-CZ 3.92Å; F57-F120 HydrophobicContact CZ-CE1 4.19Å; F57-F120 HydrophobicContact CZ-CZ 4.03Å
58V97.8Very high97.4Very high43 Ų4344.6 Ų44.626%0.26121%0.21SC..Hα-helixtrans-60.8-47.1174.3175.30000110.4Y54 R55 R61 Q62 L76Y54-V58 HydrophobicContact CD1-CG2 4.13Å; Y54-V58 HydrophobicContact CE1-CG2 3.57Å; Y54-V58 PolarHBondContact O-N 3.11Å; Y54-V58 VanDerWaalsContact O-N 3.15Å; R55-V58 WeakPolarHBondContact O-CB 3.39Å; R55-V58 PolarHBondContact O-N 2.94Å; V58-R61 PolarHBondContact O-N 3.32Å; V58-Q62 WeakPolarHBondContact O-CG 3.48Å; V58-Q62 PolarHBondContact O-N 3.03Å; V58-Q62 VanDerWaalsContact O-N 3.1Å; V58-L76 HydrophobicContact CB-CD1 4.39Å; V58-L76 HydrophobicContact CG2-CD1 3.98Å
59W98.3Very high97.2Very high32 Ų3250.6 Ų50.612%0.12124%0.241CC..Hα-helixtrans-57.5-49.1173.4167.185.8000111.4R55 E56 F57 R61 Q62 R63 F120 S127 I130 E131R55-W59 PolarHBondContact O-N 2.81Å; R55-W59 VanDerWaalsContact O-N 3.09Å; E56-W59 PolarHBondContact O-N 3.43Å; F57-W59 VanDerWaalsContact C-N 3.35Å; W59-R61 VanDerWaalsContact C-N 3.33Å; W59-R61 PolarHBondContact O-N 2.96Å; W59-Q62 WeakPolarHBondContact O-CB 3.37Å; W59-Q62 PolarHBondContact O-N 2.81Å; W59-Q62 VanDerWaalsContact O-N 3.09Å; W59-R63 HydrophobicContact CZ2-CB 4.37Å; W59-R63 HydrophobicContact CZ2-CG 4.23Å; W59-R63 WeakPolarHBondContact O-CB 3.43Å; W59-R63 PolarHBondContact O-N 3.34Å; W59-F120 HydrophobicContact CE3-CD2 4.44Å; W59-F120 HydrophobicContact CZ3-CD2 4.13Å; W59-S127 VanDerWaalsContact CE2-CB 3.46Å; W59-I130 HydrophobicContact CH2-CB 3.85Å; W59-I130 HydrophobicContact CH2-CD1 3.79Å; W59-I130 HydrophobicContact CH2-CG1 4.42Å; W59-I130 HydrophobicContact CH2-CG2 3.59Å; W59-I130 HydrophobicContact CZ2-CB 4.24Å; W59-I130 HydrophobicContact CZ2-CG2 4.13Å; W59-I130 HydrophobicContact CZ3-CD1 3.95Å; W59-E131 HydrophobicContact CZ2-CG 4.08Å; W59-E131 PolarHBondContact NE1-OE1 3.28Å
60L98.6Very high97Very high0 Ų056.9 Ų56.90%027%0.27CS..Hα-helixtrans-56.8-47.1179.9175.266.6000111.2E56 F57 Q62 R63 L64 F101 L102 L117 F120E56-L60 WeakPolarHBondContact O-CB 3.46Å; E56-L60 PolarHBondContact O-N 3.34Å; F57-L60 PolarHBondContact O-N 2.87Å; L60-Q62 VanDerWaalsContact C-N 3.32Å; L60-Q62 PolarHBondContact O-N 3.07Å; L60-R63 PolarHBondContact O-N 2.91Å; L60-L64 HydrophobicContact CD1-CD1 4.02Å; L60-L64 HydrophobicContact CD1-CG 4.06Å; L60-L64 HydrophobicContact CG-CD1 3.93Å; L60-L64 HydrophobicContact CG-CG 4.36Å; L60-L64 VanDerWaalsContact O-CG 3.31Å; L60-L64 WeakPolarHBondContact O-CG 3.31Å; L60-L64 PolarHBondContact O-N 2.72Å; L60-F101 HydrophobicContact CD2-CE1 4.14Å; L60-L102 HydrophobicContact CD2-CD2 4.37Å; L60-L117 HydrophobicContact CD1-CD1 4.27Å; L60-L117 HydrophobicContact CD2-CD1 4.09Å; L60-F120 HydrophobicContact CB-CD2 4.17Å; L60-F120 HydrophobicContact CB-CE2 4.15Å; L60-F120 HydrophobicContact CD1-CB 4.16Å; L60-F120 HydrophobicContact CD1-CG 4.24Å; L60-F120 HydrophobicContact CD2-CD1 3.59Å; L60-F120 HydrophobicContact CD2-CD2 4.16Å; L60-F120 HydrophobicContact CD2-CE1 3.66Å; L60-F120 HydrophobicContact CD2-CE2 4.22Å; L60-F120 HydrophobicContact CD2-CG 3.84Å; L60-F120 HydrophobicContact CD2-CZ 3.98Å; L60-F120 HydrophobicContact CG-CG 4.45Å
61R98.1Very high96.8Very high74 Ų7457.6 Ų57.628%0.27928%0.275SS..Hα-helixtrans-61.3-41178.4-176.1175.9-177.2-78.9-1.8111.8F57 V58 W59 Q65 L73 P74 L76 F101F57-R61 PolarHBondContact O-N 2.94Å; V58-R61 PolarHBondContact O-N 3.32Å; W59-R61 VanDerWaalsContact C-N 3.33Å; W59-R61 PolarHBondContact O-N 2.96Å; R61-Q65 WeakPolarHBondContact O-CB 3.08Å; R61-Q65 PolarHBondContact O-N 2.95Å; R61-L73 HydrophobicContact CG-CD1 4.24Å; R61-L73 PolarHBondContact NH2-O 3.35Å; R61-L73 VanDerWaalsContact O-CD1 3.3Å; R61-L73 WeakPolarHBondContact O-CD1 3.35Å; R61-P74 PolarHBondContact NE-O 3.42Å; R61-L76 HydrophobicContact CB-CD1 3.88Å; R61-L76 HydrophobicContact CB-CG 4.44Å; R61-F101 HydrophobicContact CB-CE2 4.09Å; R61-F101 HydrophobicContact CB-CZ 3.96Å; R61-F101 HydrophobicContact CG-CE2 4.03Å; R61-F101 HydrophobicContact CG-CZ 4.36Å
62Q97.5Very high96.6Very high125 Ų12563.3 Ų63.358%0.58430%0.304SS*.Hα-helixtrans-65-42.6176.6-71.3170.9-23.800111.5V58 W59 L60 Q65 S66V58-Q62 WeakPolarHBondContact O-CG 3.48Å; V58-Q62 PolarHBondContact O-N 3.03Å; V58-Q62 VanDerWaalsContact O-N 3.1Å; W59-Q62 WeakPolarHBondContact O-CB 3.37Å; W59-Q62 PolarHBondContact O-N 2.81Å; W59-Q62 VanDerWaalsContact O-N 3.09Å; L60-Q62 VanDerWaalsContact C-N 3.32Å; L60-Q62 PolarHBondContact O-N 3.07Å; Q62-Q65 WeakPolarHBondContact O-CB 3.41Å; Q62-Q65 PolarHBondContact O-N 2.81Å; Q62-S66 PolarHBondContact O-N 3.44Å
63R97.8Very high96.5Very high61 Ų6163.4 Ų63.423%0.2331%0.305CS..Hα-helixtrans-63.7-45.3178.1-176.557.5176.4177.9-0.2112.5W59 L60 Q65 S66 N67W59-R63 HydrophobicContact CZ2-CB 4.37Å; W59-R63 HydrophobicContact CZ2-CG 4.23Å; W59-R63 WeakPolarHBondContact O-CB 3.43Å; W59-R63 PolarHBondContact O-N 3.34Å; L60-R63 PolarHBondContact O-N 2.91Å; R63-Q65 VanDerWaalsContact C-N 3.26Å; R63-Q65 PolarHBondContact O-N 3.23Å; R63-S66 PolarHBondContact O-N 3.01Å; R63-S66 PolarHBondContact O-OG 3.42Å; R63-N67 PolarHBondContact O-N 3.27Å
64L98Very high96.5Very high0 Ų062.1 Ų62.10%030%0.303CS..Hα-helixtrans-62.2-37.7174.1-67.7172.4000111.1L60 S66 N67 A68 L73 V105 L111 D114 L117L60-L64 HydrophobicContact CD1-CD1 4.02Å; L60-L64 HydrophobicContact CD1-CG 4.06Å; L60-L64 HydrophobicContact CG-CD1 3.93Å; L60-L64 HydrophobicContact CG-CG 4.36Å; L60-L64 VanDerWaalsContact O-CG 3.31Å; L60-L64 WeakPolarHBondContact O-CG 3.31Å; L60-L64 PolarHBondContact O-N 2.72Å; L64-S66 PolarHBondContact O-N 2.98Å; L64-N67 PolarHBondContact O-N 3.33Å; L64-A68 WeakPolarHBondContact O-CB 3.23Å; L64-A68 PolarHBondContact O-N 3.48Å; L64-L73 HydrophobicContact CB-CD1 3.78Å; L64-L73 HydrophobicContact CB-CD2 4.06Å; L64-L73 HydrophobicContact CD1-CD2 4.44Å; L64-V105 HydrophobicContact CD1-CG1 4.01Å; L64-V105 HydrophobicContact CD1-CG2 4.45Å; L64-L111 HydrophobicContact CB-CD2 4.44Å; L64-L111 HydrophobicContact CD2-CD2 4.47Å; L64-D114 HydrophobicContact CD2-CB 3.79Å; L64-L117 HydrophobicContact CD2-CB 4.26Å
65Q97.5Very high96.4Very high57 Ų5768.5 Ų68.527%0.26633%0.334SS..Hα-helixtrans-66.7-39.5-179.9-168.261.779.100111.4R61 Q62 R63 N67 A68 L69 V71 L73R61-Q65 WeakPolarHBondContact O-CB 3.08Å; R61-Q65 PolarHBondContact O-N 2.95Å; Q62-Q65 WeakPolarHBondContact O-CB 3.41Å; Q62-Q65 PolarHBondContact O-N 2.81Å; R63-Q65 VanDerWaalsContact C-N 3.26Å; R63-Q65 PolarHBondContact O-N 3.23Å; Q65-N67 VanDerWaalsContact C-N 3.27Å; Q65-N67 PolarHBondContact O-N 3.26Å; Q65-A68 PolarHBondContact NE2-O 3.31Å; Q65-A68 CarbonylContact O-C 3.44Å; Q65-A68 PolarHBondContact O-N 3.41Å; Q65-L69 PolarHBondContact O-N 2.72Å; Q65-V71 PolarHBondContact NE2-O 2.81Å; Q65-L73 VanDerWaalsContact CA-CD1 3.47Å; Q65-L73 HydrophobicContact CB-CD1 3.6Å; Q65-L73 HydrophobicContact CG-CD1 4.34Å; Q65-L73 VanDerWaalsContact N-CD1 3.27Å
66S96.4Very high96.5Very high60 Ų6063.2 Ų63.242%0.4232%0.316SS..Hα-helixtrans-66.2-31.6178.7640000112.4Q62 R63 L64Q62-S66 PolarHBondContact O-N 3.44Å; R63-S66 PolarHBondContact O-N 3.01Å; R63-S66 PolarHBondContact O-OG 3.42Å; L64-S66 PolarHBondContact O-N 2.98Å
67N94.7Very high96.3Very high82 Ų8263 Ų6344%0.43932%0.317SS..Hα-helixtrans-86.8-24.4-179-63.8-7.4000112.4R63 L64 Q65 D114R63-N67 PolarHBondContact O-N 3.27Å; L64-N67 PolarHBondContact O-N 3.33Å; Q65-N67 VanDerWaalsContact C-N 3.27Å; Q65-N67 PolarHBondContact O-N 3.26Å; N67-D114 WeakPolarHBondContact CB-OD2 3.21Å; N67-D114 PolarHBondContact ND2-OD2 2.95Å
68A94.7Very high95.5Very high17 Ų1766.4 Ų66.414%0.1434%0.341CS..  trans-127.664.6-178.200000112L64 Q65 L70 V71 L111L64-A68 WeakPolarHBondContact O-CB 3.23Å; L64-A68 PolarHBondContact O-N 3.48Å; Q65-A68 PolarHBondContact NE2-O 3.31Å; Q65-A68 CarbonylContact O-C 3.44Å; Q65-A68 PolarHBondContact O-N 3.41Å; A68-L70 PolarHBondContact O-N 3.08Å; A68-V71 HydrophobicContact CB-CB 3.89Å; A68-V71 HydrophobicContact CB-CG2 3.82Å; A68-V71 PolarHBondContact O-N 2.73Å; A68-L111 HydrophobicContact CB-CD2 3.99Å
69L92.7Very high94.5Very high138 Ų13872 Ų7272%0.72336%0.362SS*.THydrogen-bonded Turntrans-55.4-29.3-172.2-63.1174.8000115Q65Q65-L69 PolarHBondContact O-N 2.72Å
70L93.4Very high93.5Very high177 Ų17773.9 Ų73.993%0.92737%0.374SS*.THydrogen-bonded Turntrans-92.8-8.1-178.9-56.8178.7000113.3A68A68-L70 PolarHBondContact O-N 3.08Å
71V93.7Very high92.5Very high22 Ų2281.3 Ų81.313%0.13341%0.413CS..SBendtrans-87.9125.8-179.3176.30000109.4Q65 A68 L73 N108 L110 L111Q65-V71 PolarHBondContact NE2-O 2.81Å; A68-V71 HydrophobicContact CB-CB 3.89Å; A68-V71 HydrophobicContact CB-CG2 3.82Å; A68-V71 PolarHBondContact O-N 2.73Å; V71-L73 PolarHBondContact O-N 3.22Å; V71-N108 WeakPolarHBondContact CG1-ND2 3.38Å; V71-L110 HydrophobicContact CG2-CD1 3.94Å; V71-L111 HydrophobicContact CG1-CD1 4.46Å; V71-L111 HydrophobicContact CG1-CD2 4.24Å; V71-L111 HydrophobicContact CG1-CG 4.49Å
72Q94.8Very high91.7Very high188 Ų18886.4 Ų86.488%0.87944%0.438SS*.  trans-75104.5170.7-173.8177.22.300109.6
73L96Very high91.3Very high8 Ų882.6 Ų82.64%0.04242%0.419CS..PPolyproline II helixtrans-76.1140.5-179.7-79.2169.7000112.8R61 L64 Q65 V71 L111R61-L73 HydrophobicContact CG-CD1 4.24Å; R61-L73 PolarHBondContact NH2-O 3.35Å; R61-L73 VanDerWaalsContact O-CD1 3.3Å; R61-L73 WeakPolarHBondContact O-CD1 3.35Å; L64-L73 HydrophobicContact CB-CD1 3.78Å; L64-L73 HydrophobicContact CB-CD2 4.06Å; L64-L73 HydrophobicContact CD1-CD2 4.44Å; Q65-L73 VanDerWaalsContact CA-CD1 3.47Å; Q65-L73 HydrophobicContact CB-CD1 3.6Å; Q65-L73 HydrophobicContact CG-CD1 4.34Å; Q65-L73 VanDerWaalsContact N-CD1 3.27Å; V71-L73 PolarHBondContact O-N 3.22Å; L73-L111 HydrophobicContact CD2-CD1 3.46Å; L73-L111 VanDerWaalsContact CD2-CD1 3.46Å; L73-L111 HydrophobicContact CD2-CD2 3.84Å; L73-L111 HydrophobicContact CD2-CG 4.32Å
74P96.7Very high90.8Very high22 Ų2283.4 Ų83.414%0.14343%0.428CS..PPolyproline II helixtrans-51.7144.1170.6-2534.7000111.9R61 F101 K104 V105R61-P74 PolarHBondContact NE-O 3.42Å; P74-F101 HydrophobicContact CB-CD2 3.94Å; P74-F101 HydrophobicContact CB-CE2 4.48Å; P74-F101 WeakPolarHBondContact O-CD2 3.47Å; P74-F101 WeakPolarHBondContact O-CE2 3.34Å; P74-K104 HydrophobicContact CB-CB 3.93Å; P74-K104 HydrophobicContact CB-CD 3.94Å; P74-K104 HydrophobicContact CG-CB 3.36Å; P74-K104 HydrophobicContact CG-CD 4.17Å; P74-K104 HydrophobicContact CG-CG 4.41Å; P74-V105 HydrophobicContact CG-CG2 4.15Å
75E96Very high90.4Very high164 Ų16486.5 Ų86.577%0.76644%0.443SS*.PPolyproline II helixtrans-74.8143.4175.7-64.2-172.717100110.9
76L97.2Very high90Very high27 Ų2789.6 Ų89.614%0.14146%0.462CS..PPolyproline II helixtrans-77.9154.9167.3-74.8166.8000109.5Y54 F57 V58 R61 S78 L98 F101Y54-L76 HydrophobicContact CE2-CB 4.47Å; F57-L76 HydrophobicContact CB-CD1 4.41Å; F57-L76 HydrophobicContact CB-CD2 3.89Å; F57-L76 HydrophobicContact CD1-CD2 4.35Å; F57-L76 WeakPolarHBondContact O-CD1 3.43Å; V58-L76 HydrophobicContact CB-CD1 4.39Å; V58-L76 HydrophobicContact CG2-CD1 3.98Å; R61-L76 HydrophobicContact CB-CD1 3.88Å; R61-L76 HydrophobicContact CB-CG 4.44Å; L76-S78 PolarHBondContact O-N 3.12Å; L76-L98 HydrophobicContact CD2-CD2 3.86Å; L76-F101 HydrophobicContact CD2-CB 4.12Å; L76-F101 HydrophobicContact CD2-CD1 3.75Å; L76-F101 HydrophobicContact CD2-CD2 3.74Å; L76-F101 HydrophobicContact CD2-CE1 4.08Å; L76-F101 HydrophobicContact CD2-CE2 4.09Å; L76-F101 HydrophobicContact CD2-CG 3.58Å; L76-F101 HydrophobicContact CD2-CZ 4.24Å; L76-F101 HydrophobicContact CG-CD2 4.07Å; L76-F101 HydrophobicContact CG-CE2 4.22Å; L76-F101 HydrophobicContact CG-CG 4.4Å
77P93.5Very high89.8Confident25 Ų2589.5 Ų89.516%0.16246%0.456CS..SBendtrans-55.3138.6170.222.8-30.6000109.1Y54 K79 R94 L98Y54-P77 HydrophobicContact CE2-CG 4.03Å; Y54-P77 PolarHBondContact OH-O 3.44Å; P77-K79 PolarHBondContact O-N 3.32Å; P77-R94 HydrophobicContact CG-CG 4.13Å; P77-L98 HydrophobicContact CG-CD2 4Å; P77-L98 HydrophobicContact CG-CG 4.11Å
78S82.7Confident89.8Confident72 Ų7296.2 Ų96.250%0.50348%0.476SS..PPolyproline II helixtrans-49.2140.4-171.852.10000112.2L76 N80L76-S78 PolarHBondContact O-N 3.12Å; S78-N80 WeakPolarHBondContact CB-OD1 3.45Å; S78-N80 PolarHBondContact O-N 2.76Å; S78-N80 VanDerWaalsContact OG-CG 3.26Å; S78-N80 PolarHBondContact OG-ND2 2.93Å; S78-N80 PolarHBondContact OG-OD1 3.24Å
79K77.3Confident89.7Confident162 Ų162101.2 Ų101.270%0.70450%0.496SS*.  trans-71.166.1168-167.5-179.9179.7-177.20108.2Y54 P77 L81Y54-K79 HydrophobicContact CE1-CB 4.45Å; Y54-K79 HydrophobicContact CE1-CG 4.32Å; P77-K79 PolarHBondContact O-N 3.32Å; K79-L81 PolarHBondContact O-N 2.72Å
80N76.9Confident89.8Confident70 Ų7096.8 Ų96.837%0.37447%0.472SS..  trans-53.7112.8178.5-74.2-22.4000108.1S78 F82 F83S78-N80 WeakPolarHBondContact CB-OD1 3.45Å; S78-N80 PolarHBondContact O-N 2.76Å; S78-N80 VanDerWaalsContact OG-CG 3.26Å; S78-N80 PolarHBondContact OG-ND2 2.93Å; S78-N80 PolarHBondContact OG-OD1 3.24Å; N80-F82 PolarHBondContact O-N 2.97Å; N80-F82 VanDerWaalsContact O-N 3.17Å; N80-F83 HydrophobicContact CB-CB 4.19Å; N80-F83 VanDerWaalsContact O-CB 3.23Å; N80-F83 WeakPolarHBondContact O-CB 3.29Å; N80-F83 PolarHBondContact O-N 2.7Å
81L77.4Confident89.9Confident157 Ų15788.9 Ų88.982%0.82243%0.431SS*.THydrogen-bonded Turntrans-59.5-25.2175.8-62.8175.9000111.1K79K79-L81 PolarHBondContact O-N 2.72Å
82F81.1Confident90Very high181 Ų18191.9 Ų91.979%0.79445%0.446SS*.THydrogen-bonded Turntrans-95.219.5175.8-52.1-73.1000113.6N80 N84 H90N80-F82 PolarHBondContact O-N 2.97Å; N80-F82 VanDerWaalsContact O-N 3.17Å; F82-N84 PolarHBondContact O-N 3.48Å; F82-H90 PolarHBondContact O-CE1 2.84Å; F82-H90 VanDerWaalsContact O-CE1 3.28Å
83F88Confident90Very high45 Ų4587.6 Ų87.620%0.19743%0.426CS..  trans-64104.6175.9180-93.3000110.7N80 M85 H90 V91 R94N80-F83 HydrophobicContact CB-CB 4.19Å; N80-F83 VanDerWaalsContact O-CB 3.23Å; N80-F83 WeakPolarHBondContact O-CB 3.29Å; N80-F83 PolarHBondContact O-N 2.7Å; F83-M85 HydrophobicContact CE1-CB 4.12Å; F83-H90 HydrophobicContact CD2-CB 3.92Å; F83-H90 HydrophobicContact CE2-CB 3.91Å; F83-H90 WeakPolarHBondContact CE2-O 3.28Å; F83-V91 HydrophobicContact CZ-CG2 4.09Å; F83-R94 VanDerWaalsContact CD2-NH2 3.31Å; F83-R94 HydrophobicContact CE2-CB 4.08Å; F83-R94 VanDerWaalsContact CE2-CZ 3.46Å; F83-R94 VanDerWaalsContact CG-CZ 3.46Å; F83-R94 VanDerWaalsContact CG-NH1 3.34Å; F83-R94 VanDerWaalsContact CG-NH2 3.29Å; F83-R94 VanDerWaalsContact CZ-NH1 3.33Å
84N88.7Confident90Very high78 Ų7888.4 Ų88.442%0.41743%0.429SS..  trans-91.1116.6169.7-174-10000111.3F82 N86 N87 H90F82-N84 PolarHBondContact O-N 3.48Å; N84-N86 PolarHBondContact O-N 3.41Å; N84-N86 WeakPolarHBondContact OD1-CB 3.31Å; N84-N86 PolarHBondContact OD1-N 2.93Å; N84-N87 HydrophobicContact CB-CB 4.04Å; N84-N87 PolarHBondContact O-N 2.86Å; N84-N87 VanDerWaalsContact O-N 3.1Å; N84-H90 PolarHBondContact N-ND1 2.9Å; N84-H90 VanDerWaalsContact N-ND1 3.19Å
85M89.3Confident90.1Very high65 Ų6589.1 Ų89.132%0.3243%0.428SS..THydrogen-bonded Turntrans-64.3-22.2177.969.4173.570.600113.8I30 F83 V91I30-M85 HydrophobicContact CD1-CB 3.59Å; I30-M85 WeakPolarHBondContact CD1-O 3.33Å; I30-M85 HydrophobicContact CG1-CB 4.07Å; F83-M85 HydrophobicContact CE1-CB 4.12Å; M85-V91 WeakPolarHBondContact O-CG2 3.35Å
86N89.3Confident90.2Very high122 Ų12284.5 Ų84.565%0.65241%0.407SS*.THydrogen-bonded Turntrans-85.4-11.1177-61.2-36.6000112.6N84 R88N84-N86 PolarHBondContact O-N 3.41Å; N84-N86 WeakPolarHBondContact OD1-CB 3.31Å; N84-N86 PolarHBondContact OD1-N 2.93Å; N86-R88 PolarHBondContact O-N 3.29Å
87N92.7Very high90.2Very high57 Ų5784 Ų8431%0.30541%0.408SS..  trans-86.6107.8175.9-176.1-19.3000109.8N84 Q89 H90 V91N84-N87 HydrophobicContact CB-CB 4.04Å; N84-N87 PolarHBondContact O-N 2.86Å; N84-N87 VanDerWaalsContact O-N 3.1Å; N87-Q89 PolarHBondContact O-N 2.9Å; N87-Q89 WeakPolarHBondContact OD1-CB 2.94Å; N87-Q89 PolarHBondContact OD1-N 2.96Å; N87-H90 HydrophobicContact CB-CB 4.13Å; N87-H90 PolarHBondContact ND2-NE2 2.96Å; N87-H90 WeakPolarHBondContact O-CB 3.3Å; N87-H90 PolarHBondContact O-N 3.16Å; N87-V91 WeakPolarHBondContact O-CG2 3.49Å; N87-V91 PolarHBondContact O-N 2.95Å; N87-V91 VanDerWaalsContact O-N 3.11Å
88R93.2Very high90.4Very high223 Ų22382.8 Ų82.884%0.84240%0.4SS*.Hα-helixtrans-54.9-36.5180-67.4-173.2179-171.2-0.3113.2N86 V91 D92N86-R88 PolarHBondContact O-N 3.29Å; R88-V91 PolarHBondContact O-N 2.92Å; R88-D92 WeakPolarHBondContact O-CB 3.49Å; R88-D92 PolarHBondContact O-N 3.01Å
89Q93.6Very high91.2Very high122 Ų12280.3 Ų80.357%0.5738%0.381SS*.Hα-helixtrans-66.9-41.9178.6-175.3-178.7-22.300111.6N87 V91 D92 Q93N87-Q89 PolarHBondContact O-N 2.9Å; N87-Q89 WeakPolarHBondContact OD1-CB 2.94Å; N87-Q89 PolarHBondContact OD1-N 2.96Å; Q89-V91 VanDerWaalsContact C-N 3.34Å; Q89-V91 PolarHBondContact O-N 3.39Å; Q89-D92 PolarHBondContact O-N 3.27Å; Q89-Q93 HydrophobicContact CG-CG 4.36Å; Q89-Q93 VanDerWaalsContact NE2-NE2 3.15Å; Q89-Q93 VanDerWaalsContact O-CB 3.3Å; Q89-Q93 WeakPolarHBondContact O-CB 3.24Å; Q89-Q93 WeakPolarHBondContact O-CG 3.19Å; Q89-Q93 PolarHBondContact O-N 2.8Å
90H94.1Very high92.2Very high45 Ų4575.3 Ų75.321%0.20836%0.361CS..Hα-helixtrans-63-43.6176-69.1177.2000111.6F82 F83 N84 N87 R94F82-H90 PolarHBondContact O-CE1 2.84Å; F82-H90 VanDerWaalsContact O-CE1 3.28Å; F83-H90 HydrophobicContact CD2-CB 3.92Å; F83-H90 HydrophobicContact CE2-CB 3.91Å; F83-H90 WeakPolarHBondContact CE2-O 3.28Å; N84-H90 PolarHBondContact N-ND1 2.9Å; N84-H90 VanDerWaalsContact N-ND1 3.19Å; N87-H90 HydrophobicContact CB-CB 4.13Å; N87-H90 PolarHBondContact ND2-NE2 2.96Å; N87-H90 WeakPolarHBondContact O-CB 3.3Å; N87-H90 PolarHBondContact O-N 3.16Å; H90-R94 WeakPolarHBondContact O-CB 3.29Å; H90-R94 PolarHBondContact O-N 2.52Å
91V95.3Very high93.3Very high12 Ų1272 Ų727%0.07334%0.344CS..Hα-helixtrans-63.7-44.8-179.5177.40000110.9P18 I30 Y32 F83 M85 N87 R88 Q89 R94 R95P18-V91 HydrophobicContact CB-CG1 3.32Å; P18-V91 HydrophobicContact CG-CG1 3.56Å; I30-V91 HydrophobicContact CD1-CB 4.49Å; I30-V91 HydrophobicContact CD1-CG1 4.14Å; I30-V91 HydrophobicContact CD1-CG2 3.47Å; I30-V91 VanDerWaalsContact CD1-CG2 3.47Å; I30-V91 HydrophobicContact CG2-CG1 4.44Å; Y32-V91 HydrophobicContact CE1-CG1 4.2Å; F83-V91 HydrophobicContact CZ-CG2 4.09Å; M85-V91 WeakPolarHBondContact O-CG2 3.35Å; N87-V91 WeakPolarHBondContact O-CG2 3.49Å; N87-V91 PolarHBondContact O-N 2.95Å; N87-V91 VanDerWaalsContact O-N 3.11Å; R88-V91 PolarHBondContact O-N 2.92Å; Q89-V91 VanDerWaalsContact C-N 3.34Å; Q89-V91 PolarHBondContact O-N 3.39Å; V91-R94 PolarHBondContact O-N 2.6Å; V91-R95 WeakPolarHBondContact O-CB 3.31Å; V91-R95 PolarHBondContact O-N 3.04Å
92D95.9Very high94.3Very high84 Ų8464.6 Ų64.645%0.44931%0.305SS..Hα-helixtrans-71.2-41.6179.6-173.558.2000112.9R88 Q89 R94 R95 Q96R88-D92 WeakPolarHBondContact O-CB 3.49Å; R88-D92 PolarHBondContact O-N 3.01Å; Q89-D92 PolarHBondContact O-N 3.27Å; D92-R94 VanDerWaalsContact C-N 3.28Å; D92-R94 PolarHBondContact O-N 2.77Å; D92-R95 WeakPolarHBondContact O-CB 3.32Å; D92-R95 PolarHBondContact O-N 3.35Å; D92-R95 VanDerWaalsContact O-N 3.14Å; D92-R95 IonicContact OD1-CZ 3.43Å; D92-R95 IonicContact OD1-NE 2.81Å; D92-R95 PolarHBondContact OD1-NE 3.11Å; D92-R95 IonicContact OD1-NH2 3.12Å; D92-R95 PolarHBondContact OD1-NH2 2.99Å; D92-R95 VanDerWaalsContact OD1-NH2 3.12Å; D92-Q96 PolarHBondContact O-N 2.91Å
93Q95.2Very high95.1Very high98 Ų9860.5 Ų60.546%0.45828%0.284SS..Hα-helixtrans-58.2-42.4172.9-76.4175.8-10.700111.6Q89 G97Q89-Q93 HydrophobicContact CG-CG 4.36Å; Q89-Q93 VanDerWaalsContact NE2-NE2 3.15Å; Q89-Q93 VanDerWaalsContact O-CB 3.3Å; Q89-Q93 WeakPolarHBondContact O-CB 3.24Å; Q89-Q93 WeakPolarHBondContact O-CG 3.19Å; Q89-Q93 PolarHBondContact O-N 2.8Å; Q93-G97 PolarHBondContact O-N 2.85Å
94R96.8Very high95.6Very high26 Ų2664 Ų6410%0.09830%0.3CS..Hα-helixtrans-64.9-46.1174.4178.8170.7-74.6170.62.3111.2Y32 Y54 P77 F83 H90 V91 D92 Q96 G97 L98Y32-R94 HydrophobicContact CE2-CG 4.39Å; Y32-R94 WeakPolarHBondContact OH-CD 3.25Å; Y32-R94 WeakPolarHBondContact OH-CG 3.28Å; Y54-R94 HydrophobicContact CD2-CG 4.11Å; P77-R94 HydrophobicContact CG-CG 4.13Å; F83-R94 VanDerWaalsContact CD2-NH2 3.31Å; F83-R94 HydrophobicContact CE2-CB 4.08Å; F83-R94 VanDerWaalsContact CE2-CZ 3.46Å; F83-R94 VanDerWaalsContact CG-CZ 3.46Å; F83-R94 VanDerWaalsContact CG-NH1 3.34Å; F83-R94 VanDerWaalsContact CG-NH2 3.29Å; F83-R94 VanDerWaalsContact CZ-NH1 3.33Å; H90-R94 WeakPolarHBondContact O-CB 3.29Å; H90-R94 PolarHBondContact O-N 2.52Å; V91-R94 PolarHBondContact O-N 2.6Å; D92-R94 VanDerWaalsContact C-N 3.28Å; D92-R94 PolarHBondContact O-N 2.77Å; R94-Q96 VanDerWaalsContact C-N 3.32Å; R94-Q96 PolarHBondContact O-N 3.38Å; R94-G97 PolarHBondContact O-N 3.2Å; R94-L98 HydrophobicContact CG-CD1 4.1Å; R94-L98 HydrophobicContact CG-CG 4.25Å; R94-L98 VanDerWaalsContact O-CG 3.26Å; R94-L98 WeakPolarHBondContact O-CG 3.31Å; R94-L98 PolarHBondContact O-N 3.31Å
95R97.7Very high96Very high37 Ų3760.3 Ų60.314%0.1428%0.28CS..Hα-helixtrans-53.6-48.6176.3-176.6-155.263.167.15111.1V15 Y32 V91 D92 L98 E99V15-R95 HydrophobicContact CB-CG 4.34Å; V15-R95 HydrophobicContact CG1-CG 3.97Å; V15-R95 WeakPolarHBondContact O-CD 3.44Å; V15-R95 WeakPolarHBondContact O-CG 3.24Å; V15-R95 PolarHBondContact O-NH1 3Å; Y32-R95 HydrophobicContact CD1-CB 3.95Å; Y32-R95 HydrophobicContact CD1-CG 4.05Å; Y32-R95 HydrophobicContact CE1-CB 3.77Å; Y32-R95 HydrophobicContact CE1-CG 4.37Å; V91-R95 WeakPolarHBondContact O-CB 3.31Å; V91-R95 PolarHBondContact O-N 3.04Å; D92-R95 WeakPolarHBondContact O-CB 3.32Å; D92-R95 PolarHBondContact O-N 3.35Å; D92-R95 VanDerWaalsContact O-N 3.14Å; D92-R95 IonicContact OD1-CZ 3.43Å; D92-R95 IonicContact OD1-NE 2.81Å; D92-R95 PolarHBondContact OD1-NE 3.11Å; D92-R95 IonicContact OD1-NH2 3.12Å; D92-R95 PolarHBondContact OD1-NH2 2.99Å; D92-R95 VanDerWaalsContact OD1-NH2 3.12Å; R95-L98 PolarHBondContact O-N 2.83Å; R95-E99 IonicContact NH1-OE2 3.99Å; R95-E99 PolarHBondContact O-N 2.75Å
96Q97.7Very high96.4Very high67 Ų6757.8 Ų57.831%0.31327%0.267SS..Hα-helixtrans-62.1-45.9178.9-168.959.553.500111.9D92 R94 L98 E99 D100D92-Q96 PolarHBondContact O-N 2.91Å; R94-Q96 VanDerWaalsContact C-N 3.32Å; R94-Q96 PolarHBondContact O-N 3.38Å; Q96-L98 VanDerWaalsContact C-N 3.3Å; Q96-L98 PolarHBondContact O-N 3.32Å; Q96-E99 PolarHBondContact NE2-OE1 3.49Å; Q96-E99 WeakPolarHBondContact O-CB 3.4Å; Q96-E99 PolarHBondContact O-N 3.39Å; Q96-D100 PolarHBondContact NE2-OD1 2.85Å; Q96-D100 VanDerWaalsContact O-CG 3.26Å; Q96-D100 PolarHBondContact O-N 3.09Å
97G97.9Very high96.8Very high16 Ų1659.1 Ų59.117%0.16527%0.27CS..Hα-helixtrans-64-33.9177.300000113.5Q93 R94 F101Q93-G97 PolarHBondContact O-N 2.85Å; R94-G97 PolarHBondContact O-N 3.2Å; G97-F101 WeakPolarHBondContact O-CB 3.48Å; G97-F101 PolarHBondContact O-N 3.32Å
98L98.6Very high96.9Very high0 Ų058.7 Ų58.70%027%0.267CS..Hα-helixtrans-67.5-39.7173.5-69.2179.5000111.8V15 Y32 Y54 F57 L76 P77 R94 R95 Q96 F101 L102V15-L98 HydrophobicContact CG1-CB 4.14Å; V15-L98 HydrophobicContact CG2-CB 4.39Å; Y32-L98 HydrophobicContact CD2-CD1 3.55Å; Y32-L98 HydrophobicContact CE2-CD1 3.64Å; Y32-L98 HydrophobicContact CG-CD1 4.05Å; Y54-L98 HydrophobicContact CD2-CD2 3.99Å; Y54-L98 HydrophobicContact CE2-CD2 4.33Å; F57-L98 HydrophobicContact CB-CD2 3.89Å; F57-L98 HydrophobicContact CD1-CD2 3.63Å; F57-L98 HydrophobicContact CD2-CD1 4.08Å; F57-L98 HydrophobicContact CD2-CD2 3.93Å; F57-L98 HydrophobicContact CE1-CB 4.13Å; F57-L98 HydrophobicContact CE1-CD2 3.99Å; F57-L98 HydrophobicContact CE1-CG 4.47Å; F57-L98 HydrophobicContact CE2-CD1 3.87Å; F57-L98 HydrophobicContact CE2-CD2 4.29Å; F57-L98 HydrophobicContact CG-CD2 3.56Å; F57-L98 HydrophobicContact CZ-CB 4.19Å; F57-L98 HydrophobicContact CZ-CD1 4.15Å; F57-L98 HydrophobicContact CZ-CD2 4.3Å; F57-L98 HydrophobicContact CZ-CG 4.44Å; L76-L98 HydrophobicContact CD2-CD2 3.86Å; P77-L98 HydrophobicContact CG-CD2 4Å; P77-L98 HydrophobicContact CG-CG 4.11Å; R94-L98 HydrophobicContact CG-CD1 4.1Å; R94-L98 HydrophobicContact CG-CG 4.25Å; R94-L98 VanDerWaalsContact O-CG 3.26Å; R94-L98 WeakPolarHBondContact O-CG 3.31Å; R94-L98 PolarHBondContact O-N 3.31Å; R95-L98 PolarHBondContact O-N 2.83Å; Q96-L98 VanDerWaalsContact C-N 3.3Å; Q96-L98 PolarHBondContact O-N 3.32Å; L98-F101 PolarHBondContact O-N 3.24Å; L98-L102 PolarHBondContact O-N 3.39Å; L98-L102 VanDerWaalsContact O-N 3.08Å
99E98.8Very high97Very high20 Ų2051.8 Ų51.89%0.09326%0.258CS..Hα-helixtrans-64.3-45.4174.8-164.417887.400111.8W14 V15 R95 Q96 F101 L102 R103W14-E99 WeakPolarHBondContact CA-OE2 3.08Å; V15-E99 HydrophobicContact CB-CB 3.92Å; V15-E99 HydrophobicContact CB-CG 4.39Å; V15-E99 HydrophobicContact CG2-CB 3.92Å; V15-E99 HydrophobicContact CG2-CG 4.3Å; V15-E99 PolarHBondContact N-OE2 3.38Å; R95-E99 IonicContact NH1-OE2 3.99Å; R95-E99 PolarHBondContact O-N 2.75Å; Q96-E99 PolarHBondContact NE2-OE1 3.49Å; Q96-E99 WeakPolarHBondContact O-CB 3.4Å; Q96-E99 PolarHBondContact O-N 3.39Å; E99-F101 VanDerWaalsContact C-N 3.32Å; E99-F101 PolarHBondContact O-N 3.41Å; E99-L102 PolarHBondContact O-N 2.88Å; E99-R103 WeakPolarHBondContact O-CB 3.47Å; E99-R103 PolarHBondContact O-N 3.24Å; E99-R103 IonicContact OE1-CZ 3.79Å; E99-R103 IonicContact OE1-NH2 3.96Å; E99-R103 PolarHBondContact OE1-NH2 2.94Å
100D98.4Very high97.1Very high56 Ų5651.4 Ų51.430%0.29926%0.259SS..Hα-helixtrans-64.3-38.3178.3-66.4-11.4000111.8Q96 R103 K104Q96-D100 PolarHBondContact NE2-OD1 2.85Å; Q96-D100 VanDerWaalsContact O-CG 3.26Å; Q96-D100 PolarHBondContact O-N 3.09Å; D100-R103 IonicContact OD1-CZ 3.16Å; D100-R103 IonicContact OD1-NH1 2.7Å; D100-R103 PolarHBondContact OD1-NH1 2.81Å; D100-K104 VanDerWaalsContact O-CG 3.31Å; D100-K104 WeakPolarHBondContact O-CG 3.29Å; D100-K104 PolarHBondContact O-N 2.95Å; D100-K104 VanDerWaalsContact O-N 3.15Å
101F98.6Very high97.3Very high2 Ų249.4 Ų49.41%0.00925%0.25CS..Hα-helixtrans-58.2-53.8172.1168-96.4000111F57 L60 R61 P74 L76 G97 L98 E99 R103 K104 V105F57-F101 HydrophobicContact CD1-CD1 4.08Å; F57-F101 HydrophobicContact CD1-CE1 4.24Å; L60-F101 HydrophobicContact CD2-CE1 4.14Å; R61-F101 HydrophobicContact CB-CE2 4.09Å; R61-F101 HydrophobicContact CB-CZ 3.96Å; R61-F101 HydrophobicContact CG-CE2 4.03Å; R61-F101 HydrophobicContact CG-CZ 4.36Å; P74-F101 HydrophobicContact CB-CD2 3.94Å; P74-F101 HydrophobicContact CB-CE2 4.48Å; P74-F101 WeakPolarHBondContact O-CD2 3.47Å; P74-F101 WeakPolarHBondContact O-CE2 3.34Å; L76-F101 HydrophobicContact CD2-CB 4.12Å; L76-F101 HydrophobicContact CD2-CD1 3.75Å; L76-F101 HydrophobicContact CD2-CD2 3.74Å; L76-F101 HydrophobicContact CD2-CE1 4.08Å; L76-F101 HydrophobicContact CD2-CE2 4.09Å; L76-F101 HydrophobicContact CD2-CG 3.58Å; L76-F101 HydrophobicContact CD2-CZ 4.24Å; L76-F101 HydrophobicContact CG-CD2 4.07Å; L76-F101 HydrophobicContact CG-CE2 4.22Å; L76-F101 HydrophobicContact CG-CG 4.4Å; G97-F101 WeakPolarHBondContact O-CB 3.48Å; G97-F101 PolarHBondContact O-N 3.32Å; L98-F101 PolarHBondContact O-N 3.24Å; E99-F101 VanDerWaalsContact C-N 3.32Å; E99-F101 PolarHBondContact O-N 3.41Å; F101-R103 PolarHBondContact O-N 3.2Å; F101-K104 PolarHBondContact O-N 3.46Å; F101-V105 HydrophobicContact CD1-CG2 4.44Å; F101-V105 HydrophobicContact CD2-CG2 4.3Å; F101-V105 HydrophobicContact CE1-CG2 4.04Å; F101-V105 HydrophobicContact CE2-CG2 3.87Å; F101-V105 HydrophobicContact CZ-CG2 3.74Å; F101-V105 WeakPolarHBondContact O-CG2 3.48Å; F101-V105 PolarHBondContact O-N 3.33Å
102L98.8Very high97.4Very high0 Ų049.8 Ų49.80%025%0.251CS..Hα-helixtrans-63.1-44.5-179.6-70.5178.3000111.8V13 V15 I34 F57 L60 L98 E99 K104 V105 L106 L121V13-L102 HydrophobicContact CG1-CB 4.16Å; V13-L102 HydrophobicContact CG2-CB 3.97Å; V13-L102 HydrophobicContact CG2-CD1 3.82Å; V15-L102 HydrophobicContact CG2-CD1 3.81Å; I34-L102 HydrophobicContact CD1-CD1 4.15Å; I34-L102 HydrophobicContact CG1-CD1 4.4Å; I34-L102 HydrophobicContact CG2-CD1 3.71Å; F57-L102 HydrophobicContact CE1-CD1 3.79Å; F57-L102 HydrophobicContact CE1-CD2 4.06Å; F57-L102 HydrophobicContact CE1-CG 3.85Å; F57-L102 HydrophobicContact CZ-CD1 4.21Å; L60-L102 HydrophobicContact CD2-CD2 4.37Å; L98-L102 PolarHBondContact O-N 3.39Å; L98-L102 VanDerWaalsContact O-N 3.08Å; E99-L102 PolarHBondContact O-N 2.88Å; L102-K104 VanDerWaalsContact C-N 3.25Å; L102-K104 PolarHBondContact O-N 3.01Å; L102-V105 PolarHBondContact O-N 3.45Å; L102-V105 VanDerWaalsContact O-N 3.12Å; L102-L106 WeakPolarHBondContact O-CB 3.35Å; L102-L106 WeakPolarHBondContact O-CG 3.41Å; L102-L106 PolarHBondContact O-N 3.03Å; L102-L121 HydrophobicContact CD1-CD2 4.16Å; L102-L121 HydrophobicContact CD2-CD2 4.13Å
103R98.4Very high97.4Very high95 Ų9550.2 Ų50.236%0.35826%0.261SS..Hα-helixtrans-55.8-42.4179-170.5-176.1-58.4104.71.8111.7V13 E99 D100 F101 Q107V13-R103 HydrophobicContact CG1-CB 4.12Å; E99-R103 WeakPolarHBondContact O-CB 3.47Å; E99-R103 PolarHBondContact O-N 3.24Å; E99-R103 IonicContact OE1-CZ 3.79Å; E99-R103 IonicContact OE1-NH2 3.96Å; E99-R103 PolarHBondContact OE1-NH2 2.94Å; D100-R103 IonicContact OD1-CZ 3.16Å; D100-R103 IonicContact OD1-NH1 2.7Å; D100-R103 PolarHBondContact OD1-NH1 2.81Å; F101-R103 PolarHBondContact O-N 3.2Å; R103-Q107 WeakPolarHBondContact O-CG 3.34Å; R103-Q107 PolarHBondContact O-N 3.49Å
104K98Very high97.5Very high120 Ų12046.3 Ų46.352%0.52224%0.243SC..Hα-helixtrans-71.8-38.8177.3-69.6171.9179.6176.20112.6P74 D100 F101 L102 L106 Q107P74-K104 HydrophobicContact CB-CB 3.93Å; P74-K104 HydrophobicContact CB-CD 3.94Å; P74-K104 HydrophobicContact CG-CB 3.36Å; P74-K104 HydrophobicContact CG-CD 4.17Å; P74-K104 HydrophobicContact CG-CG 4.41Å; D100-K104 VanDerWaalsContact O-CG 3.31Å; D100-K104 WeakPolarHBondContact O-CG 3.29Å; D100-K104 PolarHBondContact O-N 2.95Å; D100-K104 VanDerWaalsContact O-N 3.15Å; F101-K104 PolarHBondContact O-N 3.46Å; L102-K104 VanDerWaalsContact C-N 3.25Å; L102-K104 PolarHBondContact O-N 3.01Å; K104-L106 VanDerWaalsContact C-N 3.33Å; K104-Q107 PolarHBondContact O-N 3.42Å
105V98.3Very high97.6Very high0 Ų047 Ų470%025%0.252CS..Hα-helixtrans-60.6-45.1175.4165.80000110.7L64 P74 F101 L102 Q107 N108 L111 L117L64-V105 HydrophobicContact CD1-CG1 4.01Å; L64-V105 HydrophobicContact CD1-CG2 4.45Å; P74-V105 HydrophobicContact CG-CG2 4.15Å; F101-V105 HydrophobicContact CD1-CG2 4.44Å; F101-V105 HydrophobicContact CD2-CG2 4.3Å; F101-V105 HydrophobicContact CE1-CG2 4.04Å; F101-V105 HydrophobicContact CE2-CG2 3.87Å; F101-V105 HydrophobicContact CZ-CG2 3.74Å; F101-V105 WeakPolarHBondContact O-CG2 3.48Å; F101-V105 PolarHBondContact O-N 3.33Å; L102-V105 PolarHBondContact O-N 3.45Å; L102-V105 VanDerWaalsContact O-N 3.12Å; V105-Q107 PolarHBondContact O-N 3.16Å; V105-N108 PolarHBondContact O-N 2.87Å; V105-N108 VanDerWaalsContact O-N 3.11Å; V105-L111 HydrophobicContact CB-CD1 4.28Å; V105-L111 HydrophobicContact CG1-CB 4.13Å; V105-L111 HydrophobicContact CG1-CD1 3.99Å; V105-L111 HydrophobicContact CG2-CD1 4.25Å; V105-L117 HydrophobicContact CG1-CD1 4Å; V105-L117 HydrophobicContact CG1-CD2 3.77Å
106L97.9Very high97.6Very high11 Ų1145.2 Ų45.26%0.05825%0.245CC..THydrogen-bonded Turntrans-70.8-9.7-177.8-65.5178.8000114.2V11 V13 I36 F43 L102 K104 L112 L117 L121V11-L106 HydrophobicContact CG1-CB 4.3Å; V11-L106 HydrophobicContact CG1-CD1 3.79Å; V11-L106 HydrophobicContact CG1-CG 4.44Å; V13-L106 HydrophobicContact CB-CD1 3.73Å; V13-L106 HydrophobicContact CG1-CD1 3.8Å; V13-L106 HydrophobicContact CG2-CD1 4.24Å; I36-L106 HydrophobicContact CD1-CD1 3.85Å; F43-L106 HydrophobicContact CZ-CD2 3.77Å; L102-L106 WeakPolarHBondContact O-CB 3.35Å; L102-L106 WeakPolarHBondContact O-CG 3.41Å; L102-L106 PolarHBondContact O-N 3.03Å; K104-L106 VanDerWaalsContact C-N 3.33Å; L106-L112 HydrophobicContact CD2-CD2 3.7Å; L106-L117 HydrophobicContact CD2-CD2 4.15Å; L106-L121 HydrophobicContact CD2-CD1 3.89Å
107Q96.6Very high97.7Very high151 Ų15142 Ų4271%0.70623%0.231SC*.THydrogen-bonded Turntrans-85.7-8172.5-73.6170.2-6.600112.9R103 K104 V105R103-Q107 WeakPolarHBondContact O-CG 3.34Å; R103-Q107 PolarHBondContact O-N 3.49Å; K104-Q107 PolarHBondContact O-N 3.42Å; V105-Q107 PolarHBondContact O-N 3.16Å
108N95.8Very high97.7Very high48 Ų4842 Ų4226%0.25723%0.226SC..  trans-106.3113-177.1-172.7-30.9000111.3V71 V105 L110 L111 L112V71-N108 WeakPolarHBondContact CG1-ND2 3.38Å; V105-N108 PolarHBondContact O-N 2.87Å; V105-N108 VanDerWaalsContact O-N 3.11Å; N108-L110 VanDerWaalsContact C-N 3.26Å; N108-L110 PolarHBondContact O-N 2.69Å; N108-L110 WeakPolarHBondContact OD1-CB 3.45Å; N108-L110 PolarHBondContact OD1-N 3.41Å; N108-L111 HydrophobicContact CB-CB 4.24Å; N108-L111 HydrophobicContact CB-CD1 3.85Å; N108-L111 HydrophobicContact CB-CG 3.88Å; N108-L111 PolarHBondContact O-N 3.34Å; N108-L112 PolarHBondContact O-N 3.04Å
109A95Very high97.7Very high77 Ų7742 Ų4264%0.63623%0.226SC*.Hα-helixtrans-58.3-32.8-179.500000114L111 L112 S113A109-L111 VanDerWaalsContact C-N 3.3Å; A109-L111 PolarHBondContact O-N 2.72Å; A109-L112 PolarHBondContact O-N 3.34Å; A109-S113 PolarHBondContact O-N 2.84Å
110L95.9Very high97.7Very high114 Ų11441.1 Ų41.160%0.59722%0.222SC*.Hα-helixtrans-70.5-27.6176.5-65.1175.4000112.6V71 N108 S113V71-L110 HydrophobicContact CG2-CD1 3.94Å; N108-L110 VanDerWaalsContact C-N 3.26Å; N108-L110 PolarHBondContact O-N 2.69Å; N108-L110 WeakPolarHBondContact OD1-CB 3.45Å; N108-L110 PolarHBondContact OD1-N 3.41Å; L110-S113 PolarHBondContact O-OG 2.89Å
111L97.4Very high97.8Very high4 Ų438.4 Ų38.42%0.02121%0.208CC..Hα-helixtrans-82.9-32.7175-56.6-179.1000110.7L64 A68 V71 L73 V105 N108 A109 S113 D114 L117L64-L111 HydrophobicContact CB-CD2 4.44Å; L64-L111 HydrophobicContact CD2-CD2 4.47Å; A68-L111 HydrophobicContact CB-CD2 3.99Å; V71-L111 HydrophobicContact CG1-CD1 4.46Å; V71-L111 HydrophobicContact CG1-CD2 4.24Å; V71-L111 HydrophobicContact CG1-CG 4.49Å; L73-L111 HydrophobicContact CD2-CD1 3.46Å; L73-L111 VanDerWaalsContact CD2-CD1 3.46Å; L73-L111 HydrophobicContact CD2-CD2 3.84Å; L73-L111 HydrophobicContact CD2-CG 4.32Å; V105-L111 HydrophobicContact CB-CD1 4.28Å; V105-L111 HydrophobicContact CG1-CB 4.13Å; V105-L111 HydrophobicContact CG1-CD1 3.99Å; V105-L111 HydrophobicContact CG2-CD1 4.25Å; N108-L111 HydrophobicContact CB-CB 4.24Å; N108-L111 HydrophobicContact CB-CD1 3.85Å; N108-L111 HydrophobicContact CB-CG 3.88Å; N108-L111 PolarHBondContact O-N 3.34Å; A109-L111 VanDerWaalsContact C-N 3.3Å; A109-L111 PolarHBondContact O-N 2.72Å; L111-S113 PolarHBondContact O-N 2.7Å; L111-D114 WeakPolarHBondContact O-CB 3.39Å; L111-D114 PolarHBondContact O-N 2.83Å; L111-D114 VanDerWaalsContact O-N 3.12Å; L111-L117 VanDerWaalsContact O-CD2 3.31Å; L111-L117 WeakPolarHBondContact O-CD2 3.43Å
112L96.8Very high97.8Very high19 Ų1938.4 Ų38.410%0.09921%0.207CC..Hα-helixtrans-65.5-18.7173.7-74.1175.8000113.6F43 L106 N108 A109 D114 L117 H118F43-L112 HydrophobicContact CE2-CD2 3.89Å; F43-L112 HydrophobicContact CZ-CD2 4.02Å; L106-L112 HydrophobicContact CD2-CD2 3.7Å; N108-L112 PolarHBondContact O-N 3.04Å; A109-L112 PolarHBondContact O-N 3.34Å; L112-D114 VanDerWaalsContact C-N 3.3Å; L112-L117 HydrophobicContact CD2-CD2 4.49Å; L112-H118 PolarHBondContact O-NE2 2.87Å
113S96.6Very high97.7Very high93 Ų9338.4 Ų38.465%0.6521%0.207SC*.THydrogen-bonded Turntrans-81.7-7.7172.861.50000113.5A109 L110 L111 S115A109-S113 PolarHBondContact O-N 2.84Å; L110-S113 PolarHBondContact O-OG 2.89Å; L111-S113 PolarHBondContact O-N 2.7Å; S113-S115 PolarHBondContact O-N 2.98Å
114D97.9Very high97.6Very high17 Ų1738.6 Ų38.69%0.09121%0.212CC..  trans-80.5114.8-179.4-163.1-44.7000111.3L64 N67 L111 L112 S116 L117 H118L64-D114 HydrophobicContact CD2-CB 3.79Å; N67-D114 WeakPolarHBondContact CB-OD2 3.21Å; N67-D114 PolarHBondContact ND2-OD2 2.95Å; L111-D114 WeakPolarHBondContact O-CB 3.39Å; L111-D114 PolarHBondContact O-N 2.83Å; L111-D114 VanDerWaalsContact O-N 3.12Å; L112-D114 VanDerWaalsContact C-N 3.3Å; D114-S116 PolarHBondContact O-N 2.78Å; D114-S116 WeakPolarHBondContact OD1-CA 3.25Å; D114-S116 WeakPolarHBondContact OD1-CB 3.2Å; D114-S116 PolarHBondContact OD1-N 2.97Å; D114-S116 PolarHBondContact OD1-OG 3.47Å; D114-L117 HydrophobicContact CB-CB 4.44Å; D114-L117 WeakPolarHBondContact O-CB 3.4Å; D114-L117 PolarHBondContact O-N 3.09Å; D114-L117 VanDerWaalsContact O-N 3.08Å; D114-H118 PolarHBondContact O-CD2 2.92Å; D114-H118 PolarHBondContact O-N 2.88Å
115S98.4Very high97.7Very high39 Ų3933.4 Ų33.427%0.27319%0.19SC..Hα-helixtrans-61.7-26.5177.9500000113.4S113 L117 H118 L119 V134S113-S115 PolarHBondContact O-N 2.98Å; S115-L117 VanDerWaalsContact C-N 3.27Å; S115-L117 PolarHBondContact O-N 2.91Å; S115-H118 PolarHBondContact O-N 3.06Å; S115-L119 WeakPolarHBondContact O-CG 3.46Å; S115-L119 PolarHBondContact O-N 3.12Å; S115-V134 WeakPolarHBondContact OG-CG1 3.42Å
116S98.6Very high97.7Very high1 Ų136.7 Ų36.71%0.00721%0.208CC..Hα-helixtrans-63.9-35.9175.9-36.10000111D114 F120D114-S116 PolarHBondContact O-N 2.78Å; D114-S116 WeakPolarHBondContact OD1-CA 3.25Å; D114-S116 WeakPolarHBondContact OD1-CB 3.2Å; D114-S116 PolarHBondContact OD1-N 2.97Å; D114-S116 PolarHBondContact OD1-OG 3.47Å; S116-F120 VanDerWaalsContact O-CB 3.25Å; S116-F120 WeakPolarHBondContact O-CB 3.43Å; S116-F120 PolarHBondContact O-N 2.97Å
117L98.7Very high97.7Very high0 Ų038 Ų380%022%0.217CC..Hα-helixtrans-65.5-45.7175.3179.460.8000111L60 L64 V105 L106 L111 L112 D114 S115 F120 L121L60-L117 HydrophobicContact CD1-CD1 4.27Å; L60-L117 HydrophobicContact CD2-CD1 4.09Å; L64-L117 HydrophobicContact CD2-CB 4.26Å; V105-L117 HydrophobicContact CG1-CD1 4Å; V105-L117 HydrophobicContact CG1-CD2 3.77Å; L106-L117 HydrophobicContact CD2-CD2 4.15Å; L111-L117 VanDerWaalsContact O-CD2 3.31Å; L111-L117 WeakPolarHBondContact O-CD2 3.43Å; L112-L117 HydrophobicContact CD2-CD2 4.49Å; D114-L117 HydrophobicContact CB-CB 4.44Å; D114-L117 WeakPolarHBondContact O-CB 3.4Å; D114-L117 PolarHBondContact O-N 3.09Å; D114-L117 VanDerWaalsContact O-N 3.08Å; S115-L117 VanDerWaalsContact C-N 3.27Å; S115-L117 PolarHBondContact O-N 2.91Å; L117-F120 WeakPolarHBondContact O-CB 3.23Å; L117-F120 PolarHBondContact O-N 3.26Å; L117-L121 HydrophobicContact CD1-CD1 3.76Å; L117-L121 HydrophobicContact CD1-CG 4.15Å; L117-L121 HydrophobicContact CG-CD1 3.94Å; L117-L121 WeakPolarHBondContact O-CB 3.49Å; L117-L121 VanDerWaalsContact O-CG 3.3Å; L117-L121 WeakPolarHBondContact O-CG 3.48Å; L117-L121 PolarHBondContact O-N 3.21Å
118H98.7Very high97.7Very high16 Ų1637.9 Ų37.97%0.07422%0.217CC..Hα-helixtrans-63.9-45.5179.3-71.1-68.1000112.2C42 F43 L112 D114 S115 F120 L121 Q122 I146C42-H118 PolarHBondContact O-CE1 3.37Å; C42-H118 PolarHBondContact O-NE2 3.45Å; F43-H118 AromaticContact CD1-ND1 3.83Å; L112-H118 PolarHBondContact O-NE2 2.87Å; D114-H118 PolarHBondContact O-CD2 2.92Å; D114-H118 PolarHBondContact O-N 2.88Å; S115-H118 PolarHBondContact O-N 3.06Å; H118-F120 VanDerWaalsContact C-N 3.31Å; H118-F120 PolarHBondContact O-N 3Å; H118-L121 PolarHBondContact O-N 3.35Å; H118-Q122 WeakPolarHBondContact O-CA 3.38Å; H118-Q122 VanDerWaalsContact O-CB 3.32Å; H118-Q122 WeakPolarHBondContact O-CB 3.38Å; H118-Q122 WeakPolarHBondContact O-CG 3.42Å; H118-Q122 PolarHBondContact O-N 3.09Å; H118-I146 HydrophobicContact CB-CD1 4.1Å
119L98.8Very high97.9Very high0 Ų038.6 Ų38.60%022%0.221CC..Hα-helixtrans-63.1-38.3174.8-70.1171.4000112R52 S115 L121 S123 L125 I130 C133 V134 V142 A145 I146R52-L119 PolarHBondContact NH2-O 3.07Å; S115-L119 WeakPolarHBondContact O-CG 3.46Å; S115-L119 PolarHBondContact O-N 3.12Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-L121 PolarHBondContact O-N 3.46Å; L119-S123 WeakPolarHBondContact O-CB 3.3Å; L119-S123 PolarHBondContact O-N 3.29Å; L119-S123 PolarHBondContact O-OG 3.17Å; L119-L125 HydrophobicContact CD1-CD1 4.46Å; L119-L125 HydrophobicContact CD2-CD1 4.07Å; L119-I130 HydrophobicContact CB-CD1 4.13Å; L119-I130 HydrophobicContact CB-CG1 3.85Å; L119-I130 HydrophobicContact CB-CG2 4.08Å; L119-I130 HydrophobicContact CD1-CB 4.39Å; L119-I130 HydrophobicContact CD1-CG1 4.37Å; L119-I130 HydrophobicContact CD1-CG2 3.83Å; L119-C133 HydrophobicContact CD1-CB 4Å; L119-V134 HydrophobicContact CD1-CG1 3.86Å; L119-V142 HydrophobicContact CD1-CG1 4.42Å; L119-V142 HydrophobicContact CD1-CG2 4.17Å; L119-V142 HydrophobicContact CD2-CG1 4.04Å; L119-V142 HydrophobicContact CG-CG1 3.98Å; L119-A145 HydrophobicContact CD2-CB 3.84Å; L119-I146 HydrophobicContact CD2-CD1 4.47Å; L119-I146 HydrophobicContact CD2-CG1 4.08Å
120F98.8Very high98.1Very high0 Ų035 Ų350%019%0.191CC..Hα-helixtrans-61.1-41.1175.8179.2-87.9000112.3I34 R52 E56 F57 W59 L60 S116 L117 H118 I130I34-F120 HydrophobicContact CD1-CD1 4.34Å; I34-F120 HydrophobicContact CD1-CE1 3.51Å; I34-F120 HydrophobicContact CD1-CZ 4.09Å; R52-F120 HydrophobicContact CB-CE1 4.47Å; R52-F120 HydrophobicContact CB-CE2 4.16Å; R52-F120 HydrophobicContact CB-CZ 3.79Å; R52-F120 HydrophobicContact CG-CD1 4.5Å; R52-F120 HydrophobicContact CG-CD2 4.37Å; R52-F120 HydrophobicContact CG-CE1 3.98Å; R52-F120 HydrophobicContact CG-CE2 3.83Å; R52-F120 HydrophobicContact CG-CZ 3.61Å; R52-F120 PolarHBondContact NE-O 3.24Å; R52-F120 PolarHBondContact NH2-O 3.11Å; E56-F120 HydrophobicContact CB-CE2 3.83Å; F57-F120 HydrophobicContact CD1-CE1 4.32Å; F57-F120 AromaticContact CD1-CZ 3.96Å; F57-F120 HydrophobicContact CD1-CZ 3.96Å; F57-F120 AromaticContact CD2-CZ 3.89Å; F57-F120 HydrophobicContact CD2-CZ 3.89Å; F57-F120 HydrophobicContact CE1-CE1 4.07Å; F57-F120 HydrophobicContact CE1-CZ 4.03Å; F57-F120 AromaticContact CE2-CZ 3.94Å; F57-F120 HydrophobicContact CE2-CZ 3.94Å; F57-F120 AromaticContact CG-CZ 3.92Å; F57-F120 HydrophobicContact CG-CZ 3.92Å; F57-F120 HydrophobicContact CZ-CE1 4.19Å; F57-F120 HydrophobicContact CZ-CZ 4.03Å; W59-F120 HydrophobicContact CE3-CD2 4.44Å; W59-F120 HydrophobicContact CZ3-CD2 4.13Å; L60-F120 HydrophobicContact CB-CD2 4.17Å; L60-F120 HydrophobicContact CB-CE2 4.15Å; L60-F120 HydrophobicContact CD1-CB 4.16Å; L60-F120 HydrophobicContact CD1-CG 4.24Å; L60-F120 HydrophobicContact CD2-CD1 3.59Å; L60-F120 HydrophobicContact CD2-CD2 4.16Å; L60-F120 HydrophobicContact CD2-CE1 3.66Å; L60-F120 HydrophobicContact CD2-CE2 4.22Å; L60-F120 HydrophobicContact CD2-CG 3.84Å; L60-F120 HydrophobicContact CD2-CZ 3.98Å; L60-F120 HydrophobicContact CG-CG 4.45Å; S116-F120 VanDerWaalsContact O-CB 3.25Å; S116-F120 WeakPolarHBondContact O-CB 3.43Å; S116-F120 PolarHBondContact O-N 2.97Å; L117-F120 WeakPolarHBondContact O-CB 3.23Å; L117-F120 PolarHBondContact O-N 3.26Å; H118-F120 VanDerWaalsContact C-N 3.31Å; H118-F120 PolarHBondContact O-N 3Å; F120-I130 HydrophobicContact CB-CD1 4.45Å
121L98.7Very high98.2Very high0 Ų033.3 Ų33.30%018%0.18CC..Hα-helixtrans-87.8-23.5-175.6-66175.8000114.7I34 I36 F43 S48 V50 L102 L106 L117 H118 L119I34-L121 HydrophobicContact CD1-CD2 4.44Å; I34-L121 HydrophobicContact CG2-CD2 3.86Å; I36-L121 HydrophobicContact CD1-CD1 4.29Å; I36-L121 HydrophobicContact CD1-CD2 4.41Å; I36-L121 HydrophobicContact CG1-CB 4.36Å; F43-L121 HydrophobicContact CE1-CD1 4.12Å; S48-L121 PolarHBondContact OG-O 2.97Å; V50-L121 WeakPolarHBondContact CG1-O 3.39Å; L102-L121 HydrophobicContact CD1-CD2 4.16Å; L102-L121 HydrophobicContact CD2-CD2 4.13Å; L106-L121 HydrophobicContact CD2-CD1 3.89Å; L117-L121 HydrophobicContact CD1-CD1 3.76Å; L117-L121 HydrophobicContact CD1-CG 4.15Å; L117-L121 HydrophobicContact CG-CD1 3.94Å; L117-L121 WeakPolarHBondContact O-CB 3.49Å; L117-L121 VanDerWaalsContact O-CG 3.3Å; L117-L121 WeakPolarHBondContact O-CG 3.48Å; L117-L121 PolarHBondContact O-N 3.21Å; H118-L121 PolarHBondContact O-N 3.35Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-L121 PolarHBondContact O-N 3.46Å
122Q98.5Very high98.2Very high1 Ų134.1 Ų34.11%0.00519%0.187CC..Hα-helixtrans-129.410.6-169-47.1-155.5-62.700114F43 M45 H118 I146 F149F43-Q122 HydrophobicContact CD1-CG 4.44Å; M45-Q122 PolarHBondContact O-NE2 3.26Å; H118-Q122 WeakPolarHBondContact O-CA 3.38Å; H118-Q122 VanDerWaalsContact O-CB 3.32Å; H118-Q122 WeakPolarHBondContact O-CB 3.38Å; H118-Q122 WeakPolarHBondContact O-CG 3.42Å; H118-Q122 PolarHBondContact O-N 3.09Å; Q122-I146 HydrophobicContact CB-CB 4.43Å; Q122-I146 HydrophobicContact CB-CD1 4.16Å; Q122-I146 HydrophobicContact CB-CG1 3.99Å; Q122-I146 HydrophobicContact CB-CG2 3.66Å; Q122-F149 WeakPolarHBondContact O-CD1 3.48Å
123S98.4Very high98.3Very high0 Ų033.6 Ų33.60%019%0.185CC..  trans-139.2169.2174.585.80000112.6V50 R52 L119 L125V50-S123 WeakPolarHBondContact CG1-O 3.34Å; R52-S123 PolarHBondContact NH2-O 3.15Å; L119-S123 WeakPolarHBondContact O-CB 3.3Å; L119-S123 PolarHBondContact O-N 3.29Å; L119-S123 PolarHBondContact O-OG 3.17Å; S123-L125 PolarHBondContact OG-N 2.94Å
124H96.6Very high98.4Very high100 Ų10031 Ų3146%0.46317%0.165SC..  trans-95.15.7173.464.8-88.1000113.5F149H124-F149 HydrophobicContact CB-CD2 3.8Å; H124-F149 HydrophobicContact CB-CE2 3.85Å; H124-F149 AromaticContact CG-CD2 3.92Å; H124-F149 AromaticContact ND1-CD2 3.29Å; H124-F149 VanDerWaalsContact ND1-CD2 3.29Å; H124-F149 WeakPolarHBondContact ND1-CD2 3.49Å; H124-F149 AromaticContact ND1-CG 3.9Å
125L98.4Very high98.4Very high11 Ų1133.5 Ų33.56%0.05818%0.184CC..  trans-64.6137.3-177.5-62-173.4000110.6R52 L119 S123 D129 I130 C133 Y140 A145R52-L125 VanDerWaalsContact CZ-O 3.28Å; R52-L125 PolarHBondContact NH1-O 3.4Å; R52-L125 PolarHBondContact NH2-O 3.33Å; L119-L125 HydrophobicContact CD1-CD1 4.46Å; L119-L125 HydrophobicContact CD2-CD1 4.07Å; S123-L125 PolarHBondContact OG-N 2.94Å; L125-D129 HydrophobicContact CB-CB 3.99Å; L125-D129 HydrophobicContact CD1-CB 4.46Å; L125-D129 HydrophobicContact CD2-CB 4.11Å; L125-D129 HydrophobicContact CG-CB 4.41Å; L125-I130 HydrophobicContact CB-CD1 4.5Å; L125-I130 HydrophobicContact CB-CG1 3.71Å; L125-C133 HydrophobicContact CD1-CB 4.38Å; L125-Y140 HydrophobicContact CD1-CE2 4Å; L125-A145 HydrophobicContact CD1-CB 4.07Å
126N98.1Very high98.4Very high69 Ų6934.8 Ų34.837%0.36920%0.204SC..  trans-73.9174.2170.565.656.9000110.5E128 D129 I130N126-E128 VanDerWaalsContact C-N 3.3Å; N126-E128 PolarHBondContact O-N 3.27Å; N126-E128 WeakPolarHBondContact OD1-CB 3.17Å; N126-E128 PolarHBondContact OD1-N 3.1Å; N126-D129 PolarHBondContact ND2-OD2 3.06Å; N126-D129 PolarHBondContact O-N 2.96Å; N126-D129 PolarHBondContact OD1-N 3.19Å; N126-I130 VanDerWaalsContact O-CG1 3.26Å; N126-I130 WeakPolarHBondContact O-CG1 3.36Å; N126-I130 PolarHBondContact O-N 3.27Å
127S98.2Very high98.3Very high37 Ų3741.9 Ų41.926%0.25924%0.237SC..Hα-helixtrans-57.9-38.3-177.745.40000114W59 I130 E131W59-S127 VanDerWaalsContact CE2-CB 3.46Å; S127-I130 PolarHBondContact O-N 2.9Å; S127-E131 WeakPolarHBondContact O-CG 3.07Å; S127-E131 PolarHBondContact O-N 3.14Å
128E98.4Very high98.3Very high149 Ų14943.5 Ų43.570%0.69625%0.247SC*.Hα-helixtrans-69.5-44.6-179.3-62.3175.5-167.400110.8N126 I130 E131 A132N126-E128 VanDerWaalsContact C-N 3.3Å; N126-E128 PolarHBondContact O-N 3.27Å; N126-E128 WeakPolarHBondContact OD1-CB 3.17Å; N126-E128 PolarHBondContact OD1-N 3.1Å; E128-I130 VanDerWaalsContact C-N 3.31Å; E128-I130 PolarHBondContact O-N 3.36Å; E128-E131 PolarHBondContact O-N 2.91Å; E128-A132 PolarHBondContact O-N 3Å
129D98.6Very high98.3Very high64 Ų6453.1 Ų53.134%0.34229%0.288SS..Hα-helixtrans-66.8-33.1176.9-67.8-35.1000112.3L125 N126 C133L125-D129 HydrophobicContact CB-CB 3.99Å; L125-D129 HydrophobicContact CD1-CB 4.46Å; L125-D129 HydrophobicContact CD2-CB 4.11Å; L125-D129 HydrophobicContact CG-CB 4.41Å; N126-D129 PolarHBondContact ND2-OD2 3.06Å; N126-D129 PolarHBondContact O-N 2.96Å; N126-D129 PolarHBondContact OD1-N 3.19Å; D129-C133 WeakPolarHBondContact O-CB 3.33Å; D129-C133 PolarHBondContact O-N 3.29Å
130I98.7Very high98.2Very high0 Ų056.7 Ų56.70%030%0.302CS..Hα-helixtrans-64.3-48.5172.3-66.9170.9000109.7W59 L119 F120 L125 N126 S127 E128 A132 C133 V134W59-I130 HydrophobicContact CH2-CB 3.85Å; W59-I130 HydrophobicContact CH2-CD1 3.79Å; W59-I130 HydrophobicContact CH2-CG1 4.42Å; W59-I130 HydrophobicContact CH2-CG2 3.59Å; W59-I130 HydrophobicContact CZ2-CB 4.24Å; W59-I130 HydrophobicContact CZ2-CG2 4.13Å; W59-I130 HydrophobicContact CZ3-CD1 3.95Å; L119-I130 HydrophobicContact CB-CD1 4.13Å; L119-I130 HydrophobicContact CB-CG1 3.85Å; L119-I130 HydrophobicContact CB-CG2 4.08Å; L119-I130 HydrophobicContact CD1-CB 4.39Å; L119-I130 HydrophobicContact CD1-CG1 4.37Å; L119-I130 HydrophobicContact CD1-CG2 3.83Å; F120-I130 HydrophobicContact CB-CD1 4.45Å; L125-I130 HydrophobicContact CB-CD1 4.5Å; L125-I130 HydrophobicContact CB-CG1 3.71Å; N126-I130 VanDerWaalsContact O-CG1 3.26Å; N126-I130 WeakPolarHBondContact O-CG1 3.36Å; N126-I130 PolarHBondContact O-N 3.27Å; S127-I130 PolarHBondContact O-N 2.9Å; E128-I130 VanDerWaalsContact C-N 3.31Å; E128-I130 PolarHBondContact O-N 3.36Å; I130-A132 VanDerWaalsContact C-N 3.34Å; I130-A132 PolarHBondContact O-N 2.76Å; I130-C133 PolarHBondContact O-N 3.46Å; I130-C133 VanDerWaalsContact O-N 3.16Å; I130-V134 HydrophobicContact CG2-CG1 4.2Å; I130-V134 WeakPolarHBondContact O-CG1 3.4Å; I130-V134 WeakPolarHBondContact O-CG2 3.4Å; I130-V134 PolarHBondContact O-N 2.92Å
131E98.3Very high98.2Very high79 Ų7959.2 Ų59.237%0.36932%0.32SS..Hα-helixtrans-59.6-44178.4-75.2178.8-157.700112.2W59 S127 E128 C133 V134 S135W59-E131 HydrophobicContact CZ2-CG 4.08Å; W59-E131 PolarHBondContact NE1-OE1 3.28Å; S127-E131 WeakPolarHBondContact O-CG 3.07Å; S127-E131 PolarHBondContact O-N 3.14Å; E128-E131 PolarHBondContact O-N 2.91Å; E131-C133 VanDerWaalsContact C-N 3.34Å; E131-C133 PolarHBondContact O-N 2.87Å; E131-V134 WeakPolarHBondContact O-CG2 3.45Å; E131-S135 VanDerWaalsContact O-CB 3.24Å; E131-S135 WeakPolarHBondContact O-CB 3.33Å; E131-S135 PolarHBondContact O-N 3.25Å; E131-S135 VanDerWaalsContact O-N 3.07Å; E131-S135 PolarHBondContact O-OG 3.08Å
132A98.6Very high98.2Very high22 Ų2261 Ų6118%0.18233%0.331CS..Hα-helixtrans-61.5-43.2174.900000111.4E128 I130 S135 G136 Q137 T138E128-A132 PolarHBondContact O-N 3Å; I130-A132 VanDerWaalsContact C-N 3.34Å; I130-A132 PolarHBondContact O-N 2.76Å; A132-S135 PolarHBondContact O-N 2.91Å; A132-G136 PolarHBondContact O-N 3.49Å; A132-Q137 HydrophobicContact CB-CB 4.21Å; A132-Q137 WeakPolarHBondContact O-CA 3.18Å; A132-Q137 WeakPolarHBondContact O-CB 3.36Å; A132-Q137 PolarHBondContact O-N 2.96Å; A132-T138 HydrophobicContact CB-CG2 3.94Å
133C98.6Very high98.1Very high8 Ų866.1 Ų66.15%0.05436%0.355CS..Hα-helixtrans-64.9-49.3-179.1-173.70000112.5L119 L125 D129 I130 E131 S135 G136 T138 Y140L119-C133 HydrophobicContact CD1-CB 4Å; L125-C133 HydrophobicContact CD1-CB 4.38Å; D129-C133 WeakPolarHBondContact O-CB 3.33Å; D129-C133 PolarHBondContact O-N 3.29Å; I130-C133 PolarHBondContact O-N 3.46Å; I130-C133 VanDerWaalsContact O-N 3.16Å; E131-C133 VanDerWaalsContact C-N 3.34Å; E131-C133 PolarHBondContact O-N 2.87Å; C133-S135 PolarHBondContact O-N 3.18Å; C133-G136 PolarHBondContact O-N 3.49Å; C133-G136 VanDerWaalsContact O-N 3.11Å; C133-T138 WeakPolarHBondContact CA-OG1 3.26Å; C133-T138 HydrophobicContact CB-CG2 3.96Å; C133-Y140 HydrophobicContact CB-CE2 4.24Å
134V98Very high98.1Very high37 Ų3771.2 Ų71.222%0.22438%0.378CS..Hα-helixtrans-69.3-20.5179.8-55.40000112.8S115 L119 I130 E131 G136S115-V134 WeakPolarHBondContact OG-CG1 3.42Å; L119-V134 HydrophobicContact CD1-CG1 3.86Å; I130-V134 HydrophobicContact CG2-CG1 4.2Å; I130-V134 WeakPolarHBondContact O-CG1 3.4Å; I130-V134 WeakPolarHBondContact O-CG2 3.4Å; I130-V134 PolarHBondContact O-N 2.92Å; E131-V134 WeakPolarHBondContact O-CG2 3.45Å; V134-G136 VanDerWaalsContact C-N 3.34Å
135S97.8Very high98.2Very high71 Ų7166.7 Ų66.750%0.49736%0.359SS..THydrogen-bonded Turntrans-89.93.3175.6-52.10000113.3E131 A132 C133 Q137E131-S135 VanDerWaalsContact O-CB 3.24Å; E131-S135 WeakPolarHBondContact O-CB 3.33Å; E131-S135 PolarHBondContact O-N 3.25Å; E131-S135 VanDerWaalsContact O-N 3.07Å; E131-S135 PolarHBondContact O-OG 3.08Å; A132-S135 PolarHBondContact O-N 2.91Å; C133-S135 PolarHBondContact O-N 3.18Å; S135-Q137 VanDerWaalsContact C-N 3.3Å; S135-Q137 PolarHBondContact O-N 3.33Å
136G98Very high98.2Very high66 Ų6666.2 Ų66.268%0.6836%0.356SS*.THydrogen-bonded Turntrans71.521.7-179.600000114.3A132 C133 V134A132-G136 PolarHBondContact O-N 3.49Å; C133-G136 PolarHBondContact O-N 3.49Å; C133-G136 VanDerWaalsContact O-N 3.11Å; V134-G136 VanDerWaalsContact C-N 3.34Å
137Q98.3Very high98.1Very high150 Ų15066.3 Ų66.370%0.70135%0.354SS*.  trans-94.4-1.2-178.3-62174.2-35.900112.9A132 S135A132-Q137 HydrophobicContact CB-CB 4.21Å; A132-Q137 WeakPolarHBondContact O-CA 3.18Å; A132-Q137 WeakPolarHBondContact O-CB 3.36Å; A132-Q137 PolarHBondContact O-N 2.96Å; S135-Q137 VanDerWaalsContact C-N 3.3Å; S135-Q137 PolarHBondContact O-N 3.33Å
138T98Very high98Very high34 Ų3470.7 Ų70.721%0.20937%0.369CS..SBendtrans-98.7159.1175.153.70000111.7A132 C133 Y140A132-T138 HydrophobicContact CB-CG2 3.94Å; C133-T138 WeakPolarHBondContact CA-OG1 3.26Å; C133-T138 HydrophobicContact CB-CG2 3.96Å; T138-Y140 HydrophobicContact CG2-CE1 4.29Å; T138-Y140 HydrophobicContact CG2-CE2 3.98Å; T138-Y140 PolarHBondContact O-N 3.15Å; T138-Y140 PolarHBondContact OG1-O 2.9Å
139K97.9Very high97.9Very high218 Ų21864.9 Ų64.995%0.94834%0.341SS*.SBendtrans-76.3-12.9172.9-65.7-172.8178.3-176.90113.9
140Y98Very high97.6Very high74 Ų7462.8 Ų62.829%0.2933%0.332SS..SBendtrans-116.3151.5-179.352-99000110.4L125 C133 T138 E144 A145L125-Y140 HydrophobicContact CD1-CE2 4Å; C133-Y140 HydrophobicContact CB-CE2 4.24Å; T138-Y140 HydrophobicContact CG2-CE1 4.29Å; T138-Y140 HydrophobicContact CG2-CE2 3.98Å; T138-Y140 PolarHBondContact O-N 3.15Å; T138-Y140 PolarHBondContact OG1-O 2.9Å; Y140-E144 WeakPolarHBondContact CA-OE2 3.31Å; Y140-E144 WeakPolarHBondContact CB-OE2 3.33Å; Y140-A145 HydrophobicContact CD2-CB 3.79Å; Y140-A145 HydrophobicContact CE2-CB 3.91Å
141S98.2Very high97.3Very high54 Ų5466.6 Ų66.638%0.37835%0.353SS..  trans-79.6170.2173.778.80000112.3E143 E144 A145S141-E143 VanDerWaalsContact C-N 3.29Å; S141-E143 PolarHBondContact O-N 2.87Å; S141-E143 PolarHBondContact OG-N 3.43Å; S141-E144 PolarHBondContact N-OE2 3.28Å; S141-E144 PolarHBondContact O-N 3.1Å; S141-E144 WeakPolarHBondContact OG-CG 3.33Å; S141-E144 PolarHBondContact OG-N 3.45Å; S141-E144 VanDerWaalsContact OG-N 3.14Å; S141-A145 PolarHBondContact O-N 3.4Å
142V98.3Very high96.9Very high38 Ų3868.8 Ų68.823%0.2336%0.364CS..Hα-helixtrans-56.4-45.5172.6172.10000110.9L119 A145 I146L119-V142 HydrophobicContact CD1-CG1 4.42Å; L119-V142 HydrophobicContact CD1-CG2 4.17Å; L119-V142 HydrophobicContact CD2-CG1 4.04Å; L119-V142 HydrophobicContact CG-CG1 3.98Å; V142-A145 PolarHBondContact O-N 3.11Å; V142-I146 HydrophobicContact CG1-CD1 4.09Å; V142-I146 WeakPolarHBondContact O-CG1 3.48Å; V142-I146 PolarHBondContact O-N 2.95Å
143E97.9Very high96.3Very high108 Ų10871.8 Ų71.851%0.50538%0.377SS..Hα-helixtrans-67.4-43.8-177.7-155.4-165.3154.700111.3T44 S141 A145 I146 H147T44-E143 HydrophobicContact CG2-CG 3.68Å; S141-E143 VanDerWaalsContact C-N 3.29Å; S141-E143 PolarHBondContact O-N 2.87Å; S141-E143 PolarHBondContact OG-N 3.43Å; E143-A145 VanDerWaalsContact C-N 3.32Å; E143-A145 PolarHBondContact O-N 3.5Å; E143-I146 PolarHBondContact O-N 3.12Å; E143-I146 VanDerWaalsContact O-N 3.17Å; E143-H147 PolarHBondContact O-CD2 2.81Å; E143-H147 PolarHBondContact O-N 3.07Å; E143-H147 IonicContact OE1-CD2 2.66Å; E143-H147 IonicContact OE1-CE1 3.56Å; E143-H147 IonicContact OE1-NE2 3.38Å; E143-H147 PolarHBondContact OE1-NE2 3.35Å
144E98Very high95.4Very high106 Ų10677.6 Ų77.650%0.49540%0.398SS..Hα-helixtrans-61.1-40176.9-72.6170.8163.900111.8Y140 S141 I146 K148Y140-E144 WeakPolarHBondContact CA-OE2 3.31Å; Y140-E144 WeakPolarHBondContact CB-OE2 3.33Å; S141-E144 PolarHBondContact N-OE2 3.28Å; S141-E144 PolarHBondContact O-N 3.1Å; S141-E144 WeakPolarHBondContact OG-CG 3.33Å; S141-E144 PolarHBondContact OG-N 3.45Å; S141-E144 VanDerWaalsContact OG-N 3.14Å; E144-I146 VanDerWaalsContact C-N 3.33Å; E144-I146 PolarHBondContact O-N 2.91Å; E144-K148 WeakPolarHBondContact O-CB 3.4Å; E144-K148 PolarHBondContact O-N 2.87Å
145A98.2Very high94.3Very high6 Ų686.9 Ų86.95%0.0543%0.429CS..Hα-helixtrans-62.1-41.3175.600000112.1L119 L125 Y140 S141 V142 E143 F149L119-A145 HydrophobicContact CD2-CB 3.84Å; L125-A145 HydrophobicContact CD1-CB 4.07Å; Y140-A145 HydrophobicContact CD2-CB 3.79Å; Y140-A145 HydrophobicContact CE2-CB 3.91Å; S141-A145 PolarHBondContact O-N 3.4Å; V142-A145 PolarHBondContact O-N 3.11Å; E143-A145 VanDerWaalsContact C-N 3.32Å; E143-A145 PolarHBondContact O-N 3.5Å; A145-F149 PolarHBondContact O-N 3.49Å; A145-F149 VanDerWaalsContact O-N 3.12Å
146I98.2Very high93.1Very high0 Ų091.6 Ų91.60%044%0.441CS..Hα-helixtrans-70-46.9178.5-66169.5000110.8T44 M45 H118 L119 Q122 V142 E143 E144 F149 A150T44-I146 HydrophobicContact CG2-CB 4.26Å; T44-I146 HydrophobicContact CG2-CG2 3.85Å; M45-I146 HydrophobicContact CE-CG2 4.39Å; M45-I146 HydrophobicContact CG-CG2 3.64Å; H118-I146 HydrophobicContact CB-CD1 4.1Å; L119-I146 HydrophobicContact CD2-CD1 4.47Å; L119-I146 HydrophobicContact CD2-CG1 4.08Å; Q122-I146 HydrophobicContact CB-CB 4.43Å; Q122-I146 HydrophobicContact CB-CD1 4.16Å; Q122-I146 HydrophobicContact CB-CG1 3.99Å; Q122-I146 HydrophobicContact CB-CG2 3.66Å; V142-I146 HydrophobicContact CG1-CD1 4.09Å; V142-I146 WeakPolarHBondContact O-CG1 3.48Å; V142-I146 PolarHBondContact O-N 2.95Å; E143-I146 PolarHBondContact O-N 3.12Å; E143-I146 VanDerWaalsContact O-N 3.17Å; E144-I146 VanDerWaalsContact C-N 3.33Å; E144-I146 PolarHBondContact O-N 2.91Å; I146-F149 PolarHBondContact O-N 3.47Å; I146-A150 PolarHBondContact O-N 3.4Å
147H96.7Very high91.9Very high72 Ų7294 Ų9433%0.33345%0.445SS..Hα-helixtrans-58.2-49.4175.7-79.4-64.6000111.9M45 E143 F149 A150 L151M45-H147 HydrophobicContact CE-CB 4.26Å; M45-H147 WeakPolarHBondContact CE-ND1 3.44Å; E143-H147 PolarHBondContact O-CD2 2.81Å; E143-H147 PolarHBondContact O-N 3.07Å; E143-H147 IonicContact OE1-CD2 2.66Å; E143-H147 IonicContact OE1-CE1 3.56Å; E143-H147 IonicContact OE1-NE2 3.38Å; E143-H147 PolarHBondContact OE1-NE2 3.35Å; H147-F149 VanDerWaalsContact C-N 3.29Å; H147-F149 PolarHBondContact O-N 3.19Å; H147-A150 WeakPolarHBondContact O-CB 3.41Å; H147-A150 PolarHBondContact O-N 2.91Å; H147-A150 VanDerWaalsContact O-N 3.12Å; H147-L151 WeakPolarHBondContact O-CG 3.48Å; H147-L151 PolarHBondContact O-N 2.7Å
148K95.2Very high90.4Very high128 Ų12892.4 Ų92.456%0.55744%0.437SS*.Hα-helixtrans-56.5-44.2177.1-176.5-179.4178.2-176.20111.5E144 L151 M152E144-K148 WeakPolarHBondContact O-CB 3.4Å; E144-K148 PolarHBondContact O-N 2.87Å; K148-L151 PolarHBondContact O-N 3.38Å; K148-M152 HydrophobicContact CG-SD 4.1Å; K148-M152 VanDerWaalsContact O-CG 3.24Å; K148-M152 WeakPolarHBondContact O-CG 3.37Å; K148-M152 PolarHBondContact O-N 3.06Å
149F95.5Very high89Confident28 Ų2899.6 Ų99.612%0.12347%0.469CS..Hα-helixtrans-65.2-42.4176.8176.8-112.1000112.5C49 V50 Q122 H124 A145 I146 H147 L151 M152 N153C49-F149 WeakPolarHBondContact O-CZ 3.39Å; V50-F149 HydrophobicContact CG1-CD1 4.41Å; V50-F149 HydrophobicContact CG1-CE1 3.54Å; V50-F149 HydrophobicContact CG1-CZ 3.91Å; Q122-F149 WeakPolarHBondContact O-CD1 3.48Å; H124-F149 HydrophobicContact CB-CD2 3.8Å; H124-F149 HydrophobicContact CB-CE2 3.85Å; H124-F149 AromaticContact CG-CD2 3.92Å; H124-F149 AromaticContact ND1-CD2 3.29Å; H124-F149 VanDerWaalsContact ND1-CD2 3.29Å; H124-F149 WeakPolarHBondContact ND1-CD2 3.49Å; H124-F149 AromaticContact ND1-CG 3.9Å; A145-F149 PolarHBondContact O-N 3.49Å; A145-F149 VanDerWaalsContact O-N 3.12Å; I146-F149 PolarHBondContact O-N 3.47Å; H147-F149 VanDerWaalsContact C-N 3.29Å; H147-F149 PolarHBondContact O-N 3.19Å; F149-L151 VanDerWaalsContact C-N 3.31Å; F149-L151 PolarHBondContact O-N 3.19Å; F149-M152 PolarHBondContact O-N 2.94Å; F149-N153 HydrophobicContact CE2-CB 4.26Å; F149-N153 HydrophobicContact CZ-CB 4.2Å; F149-N153 WeakPolarHBondContact O-CB 3.21Å; F149-N153 PolarHBondContact O-N 3.17Å
150A94.1Very high87.2Confident19 Ų1996 Ų9616%0.15746%0.459CS..Hα-helixtrans-59.3-44.317700000111.3M45 I146 H147 N153 R154M45-A150 HydrophobicContact CE-CB 3.27Å; M45-A150 HydrophobicContact CG-CB 3.97Å; M45-A150 HydrophobicContact SD-CB 3.51Å; M45-A150 VanDerWaalsContact SD-CB 3.51Å; I146-A150 PolarHBondContact O-N 3.4Å; H147-A150 WeakPolarHBondContact O-CB 3.41Å; H147-A150 PolarHBondContact O-N 2.91Å; H147-A150 VanDerWaalsContact O-N 3.12Å; A150-N153 PolarHBondContact O-N 3.04Å; A150-R154 WeakPolarHBondContact O-CG 3.23Å; A150-R154 PolarHBondContact O-N 3.45Å
151L91.7Very high85.1Confident81 Ų81100.1 Ų100.142%0.42448%0.481SS..Hα-helixtrans-60-45.3174.8-66.2172000112H147 K148 F149 N153 R154 E158H147-L151 WeakPolarHBondContact O-CG 3.48Å; H147-L151 PolarHBondContact O-N 2.7Å; K148-L151 PolarHBondContact O-N 3.38Å; F149-L151 VanDerWaalsContact C-N 3.31Å; F149-L151 PolarHBondContact O-N 3.19Å; L151-N153 VanDerWaalsContact C-N 3.28Å; L151-N153 PolarHBondContact O-N 2.93Å; L151-R154 PolarHBondContact O-N 3.03Å; L151-E158 HydrophobicContact CD2-CG 4.49Å; L151-E158 WeakPolarHBondContact CD2-OE1 3.3Å
152M90.4Very high82.7Confident125 Ų125106.4 Ų106.462%0.61651%0.505SS*.Hα-helixtrans-65.6-29.1178.3-70.4174.870.400113.5K148 F149K148-M152 HydrophobicContact CG-SD 4.1Å; K148-M152 VanDerWaalsContact O-CG 3.24Å; K148-M152 WeakPolarHBondContact O-CG 3.37Å; K148-M152 PolarHBondContact O-N 3.06Å; F149-M152 PolarHBondContact O-N 2.94Å
153N85.7Confident80Confident85 Ų85108 Ų10846%0.45553%0.529SS..THydrogen-bonded Turntrans-98.21.6-177-154.430.6000113C49 F149 A150 L151 R155C49-N153 PolarHBondContact O-ND2 2.73Å; F149-N153 HydrophobicContact CE2-CB 4.26Å; F149-N153 HydrophobicContact CZ-CB 4.2Å; F149-N153 WeakPolarHBondContact O-CB 3.21Å; F149-N153 PolarHBondContact O-N 3.17Å; A150-N153 PolarHBondContact O-N 3.04Å; L151-N153 VanDerWaalsContact C-N 3.28Å; L151-N153 PolarHBondContact O-N 2.93Å; N153-R155 PolarHBondContact O-N 2.63Å
154R80.1Confident77.4Confident129 Ų129111.6 Ų111.649%0.48754%0.543SS..  trans-66.1130.1171.7-83.4175.7-165.2-171.414.7109.2A150 L151 F156 E158A150-R154 WeakPolarHBondContact O-CG 3.23Å; A150-R154 PolarHBondContact O-N 3.45Å; L151-R154 PolarHBondContact O-N 3.03Å; R154-F156 VanDerWaalsContact C-N 3.32Å; R154-E158 IonicContact CZ-OE1 3.23Å; R154-E158 IonicContact NH1-OE1 2.69Å; R154-E158 PolarHBondContact NH1-OE1 3.37Å; R154-E158 IonicContact NH2-OE1 2.87Å
155R75.1Confident75Confident233 Ų233116 Ų11688%0.87956%0.56SS**SBendtrans-79.7-17.7175.5-67.6-175.9-176.3170.41.4113.1N153N153-R155 PolarHBondContact O-N 2.63Å
156F72.6Confident72.5Confident169 Ų169123.6 Ų123.674%0.74160%0.595SS**SBendtrans-121.5138.4-178.1-64.5-78.2000109.3R154R154-F156 VanDerWaalsContact C-N 3.32Å
157P72Confident70Confident118 Ų118131 Ų13177%0.76664%0.635SS**PPolyproline II helixtrans-56.1154.4173.5-23.734.2000112.2E159P157-E159 PolarHBondContact O-N 3.48Å
158E67Low67.9Low115 Ų115134.4 Ų134.454%0.53766%0.655SS.*PPolyproline II helixtrans-64.6127.6166.8-72.1-170.714200109L151 R154 D160L151-E158 HydrophobicContact CD2-CG 4.49Å; L151-E158 WeakPolarHBondContact CD2-OE1 3.3Å; R154-E158 IonicContact CZ-OE1 3.23Å; R154-E158 IonicContact NH1-OE1 2.69Å; R154-E158 PolarHBondContact NH1-OE1 3.37Å; R154-E158 IonicContact NH2-OE1 2.87Å; E158-D160 PolarHBondContact O-N 2.95Å
159E67.8Low66.1Low186 Ų186135 Ų13587%0.86966%0.663SS**PPolyproline II helixtrans-76116.8163-67.1179.8179.300106.1P157 E161P157-E159 PolarHBondContact O-N 3.48Å; E159-E161 PolarHBondContact O-N 3Å
160D60.4Low64.3Low141 Ų141140.9 Ų140.975%0.75470%0.695SS**  trans-61.2106.3172.9-66.8-46.4000108.2E158 E162E158-D160 PolarHBondContact O-N 2.95Å; D160-E162 HydrophobicContact CB-CG 4.41Å; D160-E162 PolarHBondContact O-N 3.45Å
161E54.2Low62.8Low161 Ų161149.8 Ų149.875%0.75273%0.726SS**  trans-71.672.8163.3-83.5-135.1175.700108.6E159 G163E159-E161 PolarHBondContact O-N 3Å; E161-G163 PolarHBondContact O-N 3.28Å; E161-G163 VanDerWaalsContact O-N 3.13Å
162E47.9Very low61.3Low187 Ų187152.9 Ų152.987%0.87474%0.744SS**THydrogen-bonded Turntrans-65103.1159.2-74.4-173.2154.600108.1D160D160-E162 HydrophobicContact CB-CG 4.41Å; D160-E162 PolarHBondContact O-N 3.45Å
163G41.9Very low59.7Low71 Ų71152.1 Ų152.173%0.73275%0.751SS**THydrogen-bonded Turntrans147.68.7152.300000121.7E161E161-G163 PolarHBondContact O-N 3.28Å; E161-G163 VanDerWaalsContact O-N 3.13Å
164K43.1Very low58.6Low183 Ų183156.7 Ų156.780%0.79677%0.769SS**  trans-104.174.8170.5-78.2177.3-176.6156.90112.1
165K46.6Very low57.7Low198 Ų198156.3 Ų156.386%0.86179%0.786SS**  trans-88.4112.9153.9-82.9-173.2175.4179.90108.6
166E46.2Very low56.4Low167 Ų167151 Ų15178%0.7879%0.785SS**  trans0.4116.5157.1-68.5157166.500117.1
167N45.7Very low55.8Low156 Ų156148.7 Ų148.783%0.83479%0.79SS**  trans-99.790.3147.2-78.7-32.1000106.7
168D52.5Low54.7Low143 Ų143149.1 Ų149.177%0.76580%0.795SS**  trans-79118.5159.7-86.9-27.7000107.8
169I58.3Low53.9Low139 Ų139147 Ų14771%0.71381%0.805SS**  trans-115.199169.2-50.9174.5000105.7
170D56.5Low53.3Low152 Ų152147.1 Ų147.181%0.81381%0.81SS**  trans-67.2127.1170.3-87.4-37.5000110.1
171Y63.9Low52.9Low206 Ų206143.4 Ų143.481%0.80881%0.806SS**  trans-110.786.8176.1-121.6-85.8000108.4
172D59.7Low53Low147 Ų147145.1 Ų145.179%0.78681%0.814SS**  trans-78123.2171.3-91.1-32.5000110.6
173S56.8Low53.6Low109 Ų109140.9 Ų140.976%0.76280%0.804SS**  trans-108.5100.2173.8-68.90000110
174E63.2Low54.4Low180 Ų180141.8 Ų141.884%0.84180%0.799SS**  trans-93.8109.3172.9-61.8-92.7117.800109.5
175S59.5Low55.1Low121 Ų121140.3 Ų140.385%0.84680%0.8SS**  trans-84.2120175.3171.50000111
176S49.5Very low55.6Low122 Ų122138.1 Ų138.185%0.85380%0.798SS**  trans-78.5132.9173.2-69.50000112.6
177S59.9Low56.1Low121 Ų121134.9 Ų134.985%0.84679%0.794SS**  trans-138.9127.5157.185.40000111
178S47.2Very low56.4Low126 Ų126133.5 Ų133.588%0.88180%0.796SS**  trans-89.4141.8-177.251.40000112.8
179G51.8Low56.6Low72 Ų72131.1 Ų131.174%0.74279%0.791SS**  trans-168.784.9172.300000115.1
180L55.2Low56.7Low187 Ų187133.6 Ų133.698%0.97980%0.799SS**  trans29.4128.1140.5-58.2169.8000122.1
181G51.5Low56.6Low64 Ų64129.6 Ų129.666%0.6679%0.794SS**  130.6111123.100000119.3
182H55.6Low56.3Low197 Ų197126.5 Ų126.591%0.91280%0.8SS**  trans57.2144.6134.9-73.5-155.5000119.7
183S60.6Low56.1Low97 Ų97128.7 Ų128.768%0.67880%0.803SS**  cis-171.6154.4-376.80000109.4
184S58.1Low56.3Low90 Ų90130.1 Ų130.163%0.62981%0.807SS**  trans64.1122.8143.5-190000123.2
185D57.8Low55.9Low153 Ų153128.3 Ų128.382%0.81880%0.803SS**  54.5148.5126.1-47.2-24.4000119.7
186D57.6Low55.8Low151 Ų151128.9 Ų128.981%0.80780%0.801SS**  cis-166.1-179.520.5-153-18.1000108.8
187S56.2Low56.6Low100 Ų100127.5 Ų127.570%0.69980%0.797SS**  trans-77.3156.4-161.9-45.60000116.9
188S53Low56.5Low126 Ų126127.5 Ų127.588%0.88180%0.795SS**  167.8162.312268.20000114.4
189S56.9Low57.3Low93 Ų93131 Ų13165%0.6580%0.797SS**  trans-102.6179.8-156.650.10000115.8
190H59.2Low57.6Low192 Ų192136.5 Ų136.589%0.88980%0.804SS**  trans97.6133.9171.6-64.8-76.7000114.7
191G55.6Low57.9Low68 Ų68137.1 Ų137.170%0.70182%0.823SS**  cis171.2173.23.100000110.7
192C58.1Low58.2Low140 Ų140140.8 Ų140.895%0.94683%0.832SS**  trans81112.4161.6-67.80000121.3
193K55.3Low58.4Low193 Ų193137.8 Ų137.884%0.83983%0.827SS**  trans-64.5161160-67.4168.8169.3175.20111.8
194V60.4Low58.3Low140 Ų140140.1 Ų140.185%0.84884%0.836SS**  -175.1142.3113.1150.80000110.7
195N55.2Low58.3Low141 Ų141143 Ų14375%0.75485%0.848SS**  trans-77.9172.1-173.1-56.7-39.4000114.1
196T58Low58.3Low133 Ų133142.4 Ų142.482%0.81685%0.85SS**  156.597125.7-61.10000108.1
197A65.7Low58.3Low93 Ų93141.8 Ų141.877%0.76985%0.852SS**  94.713888.400000113.6
198P57.3Low58.5Low122 Ų122144.8 Ų144.879%0.79286%0.863SS**  trans-107162.8-17839.5-30.3000113.2
199Q63.4Low58.9Low199 Ų199146.2 Ų146.293%0.9386%0.862SS**  trans-144.7135.9156.3-91.9-165.4-74.800112
200E60Low59.1Low188 Ų188150.7 Ų150.788%0.87988%0.88SS**  trans-71.7148.4175.7-65.1164110.800112.9
201S61Low59.1Low199 Ų199146.9 Ų146.9100%1.39288%0.879SS**  trans-154.70131.2-72.10000108.2

Retrieved 201 of 201 residues in 38.4 ms (Link to these results)

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