A0A5K4EGT7_SCHMA Loading...

Glycolipid transfer protein (Gltp), putative

AlphaFold DB , UniProt , Accession A0A5K4EGT7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 229 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
1M33.4Very low65.8Low235 Ų23577.5 Ų77.5100%1.15845%0.454SS*.  01210-77.3172.2172.400106.3H3M1-H3 PolarHBondContact O-N 3.34Å; M1-H3 VanDerWaalsContact O-N 3.09Å
2G32.9Very low68.2Low85 Ų8578.5 Ų78.588%0.87645%0.446SS*.  trans-56.2114.9-171.200000111.3S4G2-S4 PolarHBondContact O-N 3.33Å
3H43.2Very low70.3Confident120 Ų12076.5 Ų76.556%0.55643%0.433SS*.  trans-65.9119.6165.8-74.8-31.9000106.7M1 Y45M1-H3 PolarHBondContact O-N 3.34Å; M1-H3 VanDerWaalsContact O-N 3.09Å; H3-Y45 AromaticContact CD2-CE2 3.97Å; H3-Y45 AromaticContact NE2-CD2 3.83Å; H3-Y45 AromaticContact NE2-CE2 3.6Å
4S48.7Very low72.2Confident76 Ų7671.3 Ų71.353%0.53140%0.403SS..  trans-56.2147.4173.850.40000109.4G2 N6 A7G2-S4 PolarHBondContact O-N 3.33Å; S4-N6 PolarHBondContact O-N 3.41Å; S4-A7 PolarHBondContact O-N 3.01Å
5D58.7Low73.9Confident146 Ų14669.8 Ų69.878%0.78139%0.389SS*.G310 helixtrans-47.8-22176.4-68.4-25.1000113.1A7 S8D5-A7 PolarHBondContact O-N 3.09Å; D5-S8 PolarHBondContact O-N 3.24Å; D5-S8 PolarHBondContact O-OG 3.24Å
6N69Low75.4Confident103 Ų10370.8 Ų70.855%0.55139%0.393SS*.G310 helixtrans-67.6-13.3178.1-142.520000115.3S4 K41S4-N6 PolarHBondContact O-N 3.41Å; N6-K41 WeakPolarHBondContact O-CB 3.35Å
7A77.3Confident76.8Confident3 Ų369.4 Ų69.43%0.02538%0.383CS..G310 helixtrans-103.9-1.4176.900000113.6S4 D5 V44 H180S4-A7 PolarHBondContact O-N 3.01Å; D5-A7 PolarHBondContact O-N 3.09Å; A7-V44 HydrophobicContact CB-CG1 4.37Å; A7-H180 PolarHBondContact O-NE2 3.4Å
8S84.5Confident78Confident40 Ų4065.6 Ų65.628%0.2836%0.361SS..  trans-78.2133.7178.468.10000111.1D5 K41D5-S8 PolarHBondContact O-N 3.24Å; D5-S8 PolarHBondContact O-OG 3.24Å; S8-K41 VanDerWaalsContact O-CD 3.28Å; S8-K41 WeakPolarHBondContact O-CD 3.24Å
9L89Confident79Confident4 Ų468.1 Ų68.12%0.02137%0.368CS..  trans-109.595.6177.3-172.775.6000109.8L11 V14 E38 L42 M119 Q185L9-L11 HydrophobicContact CD2-CD2 4.21Å; L9-L11 PolarHBondContact O-N 3.33Å; L9-V14 HydrophobicContact CD1-CG2 3.62Å; L9-V14 HydrophobicContact CG-CG2 4.14Å; L9-E38 WeakPolarHBondContact CD1-O 3.37Å; L9-L42 HydrophobicContact CD1-CB 4.5Å; L9-L42 HydrophobicContact CD2-CB 4.45Å; L9-L42 HydrophobicContact CD2-CD1 4.37Å; L9-M119 HydrophobicContact CD2-CE 4.27Å; L9-Q185 PolarHBondContact O-NE2 2.95Å
10N92.7Very high80Confident40 Ų4067.3 Ų67.321%0.21437%0.372CS..  trans-79.1113175.7179.3-38.4000110.2Y12 N13 V14N10-Y12 PolarHBondContact O-N 3.4Å; N10-Y12 PolarHBondContact OD1-N 3.09Å; N10-Y12 VanDerWaalsContact OD1-N 3.1Å; N10-N13 HydrophobicContact CB-CB 3.83Å; N10-N13 WeakPolarHBondContact O-CB 3.27Å; N10-N13 PolarHBondContact O-N 3.31Å; N10-N13 PolarHBondContact OD1-N 3.03Å; N10-V14 WeakPolarHBondContact O-CG2 3.17Å; N10-V14 PolarHBondContact O-N 2.82Å
11L94.6Very high80.9Confident1 Ų164.1 Ų64.11%0.00535%0.354CS..Hα-helixtrans-65.8-38.7-172.7-65.4-179.1000112.9L9 N13 V14 Y15 I181 L191 C197 F200 L201L9-L11 HydrophobicContact CD2-CD2 4.21Å; L9-L11 PolarHBondContact O-N 3.33Å; L11-N13 VanDerWaalsContact C-N 3.33Å; L11-V14 PolarHBondContact O-N 3.33Å; L11-Y15 WeakPolarHBondContact O-CB 3.32Å; L11-Y15 PolarHBondContact O-N 2.91Å; L11-I181 HydrophobicContact CD1-CG2 4Å; L11-I181 HydrophobicContact CD2-CG2 4.14Å; L11-I181 HydrophobicContact CG-CG2 4.21Å; L11-L191 HydrophobicContact CB-CD1 4.04Å; L11-L191 HydrophobicContact CD1-CD1 4.16Å; L11-C197 HydrophobicContact CD1-CB 3.93Å; L11-F200 HydrophobicContact CB-CD1 3.9Å; L11-F200 HydrophobicContact CB-CE1 3.99Å; L11-L201 HydrophobicContact CD1-CD1 4.27Å; L11-L201 HydrophobicContact CD1-CD2 4.48Å; L11-L201 HydrophobicContact CD1-CG 3.96Å; L11-L201 HydrophobicContact CD2-CD1 4.3Å; L11-L201 HydrophobicContact CD2-CD2 3.56Å; L11-L201 HydrophobicContact CD2-CG 3.96Å
12Y95.1Very high83.9Confident89 Ų8954.6 Ų54.635%0.34931%0.309SS..Hα-helixtrans-63.6-40.5174.3-86-76.4000111.7N10 Y15 N16 S189 L191 F200N10-Y12 PolarHBondContact O-N 3.4Å; N10-Y12 PolarHBondContact OD1-N 3.09Å; N10-Y12 VanDerWaalsContact OD1-N 3.1Å; Y12-Y15 PolarHBondContact O-N 2.63Å; Y12-N16 VanDerWaalsContact O-CB 3.32Å; Y12-N16 WeakPolarHBondContact O-CB 3.23Å; Y12-N16 VanDerWaalsContact O-CG 3.24Å; Y12-N16 PolarHBondContact O-N 2.82Å; Y12-N16 PolarHBondContact O-ND2 3.08Å; Y12-S189 VanDerWaalsContact CE2-O 3.24Å; Y12-S189 WeakPolarHBondContact CE2-O 3.48Å; Y12-S189 PolarHBondContact OH-O 2.93Å; Y12-L191 HydrophobicContact CD2-CD1 3.81Å; Y12-L191 HydrophobicContact CD2-CG 4.44Å; Y12-L191 HydrophobicContact CE2-CD1 3.6Å; Y12-L191 HydrophobicContact CE2-CG 3.82Å; Y12-F200 HydrophobicContact CD1-CE1 4.42Å; Y12-F200 AromaticContact CD1-CE2 3.82Å; Y12-F200 HydrophobicContact CD1-CE2 3.82Å; Y12-F200 AromaticContact CD1-CZ 3.48Å; Y12-F200 HydrophobicContact CD1-CZ 3.48Å; Y12-F200 VanDerWaalsContact CD1-CZ 3.48Å; Y12-F200 HydrophobicContact CD2-CZ 4.39Å; Y12-F200 HydrophobicContact CE1-CD2 4.36Å; Y12-F200 AromaticContact CE1-CE2 3.36Å; Y12-F200 HydrophobicContact CE1-CE2 3.36Å; Y12-F200 AromaticContact CE1-CZ 3.56Å; Y12-F200 HydrophobicContact CE1-CZ 3.56Å; Y12-F200 HydrophobicContact CE2-CE2 4.28Å; Y12-F200 HydrophobicContact CE2-CZ 4.45Å; Y12-F200 HydrophobicContact CG-CE1 4.47Å; Y12-F200 HydrophobicContact CG-CE2 4.46Å; Y12-F200 AromaticContact CG-CZ 3.93Å; Y12-F200 HydrophobicContact CG-CZ 3.93Å; Y12-F200 AromaticContact CZ-CE2 3.63Å
13N95.5Very high87Confident53 Ų5354.6 Ų54.628%0.28329%0.289SS..Hα-helixtrans-65.5-43.5178.3-165.425.8000111.2N10 L11 N16 K17 E38N10-N13 HydrophobicContact CB-CB 3.83Å; N10-N13 WeakPolarHBondContact O-CB 3.27Å; N10-N13 PolarHBondContact O-N 3.31Å; N10-N13 PolarHBondContact OD1-N 3.03Å; L11-N13 VanDerWaalsContact C-N 3.33Å; N13-N16 PolarHBondContact O-N 2.95Å; N13-K17 WeakPolarHBondContact O-CB 3.46Å; N13-K17 VanDerWaalsContact O-CG 3.3Å; N13-K17 WeakPolarHBondContact O-CG 3.34Å; N13-K17 PolarHBondContact O-N 3.24Å; N13-K17 VanDerWaalsContact OD1-CE 3.24Å; N13-K17 WeakPolarHBondContact OD1-CE 3.48Å; N13-E38 HydrophobicContact CB-CG 4.42Å; N13-E38 PolarHBondContact ND2-OE1 3.5Å; N13-E38 PolarHBondContact ND2-OE2 3.41Å
14V96.6Very high89.4Confident3 Ų351.4 Ų51.42%0.01829%0.289CS..Hα-helixtrans-57.8-52.3172.71770000110.1L9 N10 L11 N16 K17 F18 E38 T205 M209L9-V14 HydrophobicContact CD1-CG2 3.62Å; L9-V14 HydrophobicContact CG-CG2 4.14Å; N10-V14 WeakPolarHBondContact O-CG2 3.17Å; N10-V14 PolarHBondContact O-N 2.82Å; L11-V14 PolarHBondContact O-N 3.33Å; V14-N16 PolarHBondContact O-N 3.31Å; V14-K17 PolarHBondContact O-N 3.19Å; V14-F18 HydrophobicContact CG1-CD2 3.76Å; V14-F18 HydrophobicContact CG1-CE2 3.97Å; V14-F18 WeakPolarHBondContact O-CD2 3.3Å; V14-F18 PolarHBondContact O-N 3Å; V14-E38 HydrophobicContact CG2-CB 4.45Å; V14-E38 HydrophobicContact CG2-CG 3.68Å; V14-T205 HydrophobicContact CB-CG2 4.25Å; V14-T205 HydrophobicContact CG1-CG2 3.65Å; V14-M209 HydrophobicContact CG1-SD 4.29Å
15Y97.6Very high91.6Very high49 Ų4955 Ų5519%0.19230%0.302CS..Hα-helixtrans-55.3-50.6178.5168.2-104.4000112.2L11 Y12 K17 F18 K19 F200 H204 V208L11-Y15 WeakPolarHBondContact O-CB 3.32Å; L11-Y15 PolarHBondContact O-N 2.91Å; Y12-Y15 PolarHBondContact O-N 2.63Å; Y15-K17 PolarHBondContact O-N 3.48Å; Y15-F18 PolarHBondContact O-N 3.42Å; Y15-K19 HydrophobicContact CE1-CD 4.1Å; Y15-K19 VanDerWaalsContact O-CB 3.27Å; Y15-K19 WeakPolarHBondContact O-CB 3.32Å; Y15-K19 PolarHBondContact O-N 3.5Å; Y15-K19 PolarHBondContact OH-NZ 2.88Å; Y15-F200 HydrophobicContact CD1-CZ 4.27Å; Y15-F200 HydrophobicContact CG-CZ 4.15Å; Y15-H204 HydrophobicContact CD2-CB 3.88Å; Y15-H204 HydrophobicContact CE2-CB 3.88Å; Y15-V208 HydrophobicContact CD2-CB 4.43Å; Y15-V208 HydrophobicContact CD2-CG1 3.65Å; Y15-V208 HydrophobicContact CE2-CB 4.4Å; Y15-V208 HydrophobicContact CE2-CG1 4.09Å
16N97.9Very high93.5Very high85 Ų8548.7 Ų48.746%0.45527%0.268SS..Hα-helixtrans-64.9-41.4-177.5-74.1-28.1000112.2Y12 N13 V14 K19 A20Y12-N16 VanDerWaalsContact O-CB 3.32Å; Y12-N16 WeakPolarHBondContact O-CB 3.23Å; Y12-N16 VanDerWaalsContact O-CG 3.24Å; Y12-N16 PolarHBondContact O-N 2.82Å; Y12-N16 PolarHBondContact O-ND2 3.08Å; N13-N16 PolarHBondContact O-N 2.95Å; V14-N16 PolarHBondContact O-N 3.31Å; N16-K19 PolarHBondContact O-N 2.89Å; N16-A20 PolarHBondContact O-N 3Å
17K98.2Very high94.9Very high48 Ų4843.8 Ų43.821%0.20924%0.242CC..Hα-helixtrans-65.8-46.3177.4-72.9174.6175.3-74.40111.5N13 V14 Y15 K19 A20 C21 E34 A35 E38N13-K17 WeakPolarHBondContact O-CB 3.46Å; N13-K17 VanDerWaalsContact O-CG 3.3Å; N13-K17 WeakPolarHBondContact O-CG 3.34Å; N13-K17 PolarHBondContact O-N 3.24Å; N13-K17 VanDerWaalsContact OD1-CE 3.24Å; N13-K17 WeakPolarHBondContact OD1-CE 3.48Å; V14-K17 PolarHBondContact O-N 3.19Å; Y15-K17 PolarHBondContact O-N 3.48Å; K17-K19 VanDerWaalsContact C-N 3.29Å; K17-K19 PolarHBondContact O-N 3.1Å; K17-A20 WeakPolarHBondContact O-CB 3.39Å; K17-A20 PolarHBondContact O-N 3.44Å; K17-C21 PolarHBondContact O-N 3.46Å; K17-C21 PolarHBondContact O-SG 3.29Å; K17-E34 IonicContact NZ-OE2 3.68Å; K17-A35 HydrophobicContact CB-CB 3.83Å; K17-E38 HydrophobicContact CD-CB 3.6Å; K17-E38 HydrophobicContact CD-CG 3.95Å
18F98.4Very high95.9Very high0 Ų045.1 Ų45.10%025%0.248CC..Hα-helixtrans-65-32.9175.4-86.3-82000112.8V14 Y15 C21 A35 V39 L112 V208 M209 V212V14-F18 HydrophobicContact CG1-CD2 3.76Å; V14-F18 HydrophobicContact CG1-CE2 3.97Å; V14-F18 WeakPolarHBondContact O-CD2 3.3Å; V14-F18 PolarHBondContact O-N 3Å; Y15-F18 PolarHBondContact O-N 3.42Å; F18-C21 VanDerWaalsContact O-CB 3.32Å; F18-C21 WeakPolarHBondContact O-CB 3.44Å; F18-C21 PolarHBondContact O-N 3.48Å; F18-A35 HydrophobicContact CD1-CB 4.11Å; F18-A35 HydrophobicContact CD2-CB 3.82Å; F18-A35 HydrophobicContact CE1-CB 4.18Å; F18-A35 HydrophobicContact CE2-CB 3.87Å; F18-A35 HydrophobicContact CG-CB 3.93Å; F18-A35 HydrophobicContact CZ-CB 4.06Å; F18-V39 HydrophobicContact CE2-CB 4.11Å; F18-V39 HydrophobicContact CE2-CG1 4.18Å; F18-V39 HydrophobicContact CZ-CG1 4.15Å; F18-L112 HydrophobicContact CE1-CD1 3.95Å; F18-L112 HydrophobicContact CE1-CD2 4.05Å; F18-L112 HydrophobicContact CZ-CD1 3.75Å; F18-V208 HydrophobicContact CB-CG1 3.86Å; F18-V208 HydrophobicContact CB-CG2 4.34Å; F18-M209 HydrophobicContact CB-CG 4.27Å; F18-M209 HydrophobicContact CD1-CB 4.28Å; F18-M209 HydrophobicContact CD1-CG 3.83Å; F18-M209 HydrophobicContact CD2-CG 3.66Å; F18-M209 HydrophobicContact CD2-SD 4.44Å; F18-M209 HydrophobicContact CE1-CB 4.46Å; F18-M209 HydrophobicContact CE1-CG 4.05Å; F18-M209 HydrophobicContact CE2-CE 4.06Å; F18-M209 HydrophobicContact CE2-CG 3.9Å; F18-M209 HydrophobicContact CE2-SD 4.32Å; F18-M209 HydrophobicContact CG-CG 3.64Å; F18-M209 HydrophobicContact CZ-CE 4Å; F18-M209 HydrophobicContact CZ-CG 4.09Å; F18-V212 HydrophobicContact CD1-CB 4.18Å; F18-V212 HydrophobicContact CD1-CG1 4.29Å; F18-V212 HydrophobicContact CD1-CG2 4.09Å; F18-V212 HydrophobicContact CE1-CG1 4.49Å; F18-V212 WeakPolarHBondContact O-CG2 3.22Å
19K98.2Very high96.6Very high113 Ų11343.2 Ų43.249%0.49124%0.235SC..Hα-helixtrans-64.4-40.1172.9-173.6179.7-177.6175.20112Y15 N16 K17 C21 V22 V208Y15-K19 HydrophobicContact CE1-CD 4.1Å; Y15-K19 VanDerWaalsContact O-CB 3.27Å; Y15-K19 WeakPolarHBondContact O-CB 3.32Å; Y15-K19 PolarHBondContact O-N 3.5Å; Y15-K19 PolarHBondContact OH-NZ 2.88Å; N16-K19 PolarHBondContact O-N 2.89Å; K17-K19 VanDerWaalsContact C-N 3.29Å; K17-K19 PolarHBondContact O-N 3.1Å; K19-C21 PolarHBondContact O-N 3.2Å; K19-V22 PolarHBondContact O-N 3.46Å; K19-V208 HydrophobicContact CB-CG2 4.09Å
20A98.4Very high97Very high53 Ų5344.4 Ų44.444%0.43824%0.243SC..Hα-helixtrans-66.4-24.6177.800000113.2N16 K17 V22 E31N16-A20 PolarHBondContact O-N 3Å; K17-A20 WeakPolarHBondContact O-CB 3.39Å; K17-A20 PolarHBondContact O-N 3.44Å; A20-V22 VanDerWaalsContact C-N 3.26Å; A20-V22 PolarHBondContact O-N 2.94Å; A20-E31 HydrophobicContact CB-CG 4.17Å
21C98.6Very high97.3Very high0 Ų045.7 Ų45.70%025%0.248CC..Hα-helixtrans-61.9-32.4175.5-58.90000113.5K17 F18 K19 N23 V27 L28 E31 Y32 A35 V212K17-C21 PolarHBondContact O-N 3.46Å; K17-C21 PolarHBondContact O-SG 3.29Å; F18-C21 VanDerWaalsContact O-CB 3.32Å; F18-C21 WeakPolarHBondContact O-CB 3.44Å; F18-C21 PolarHBondContact O-N 3.48Å; K19-C21 PolarHBondContact O-N 3.2Å; C21-N23 PolarHBondContact O-N 2.95Å; C21-V27 HydrophobicContact CB-CG1 4.11Å; C21-V27 CarbonylContact O-C 3.58Å; C21-V27 VanDerWaalsContact O-CA 3.31Å; C21-V27 WeakPolarHBondContact O-CA 3.31Å; C21-L28 PolarHBondContact O-N 2.87Å; C21-E31 PolarHBondContact SG-O 2.98Å; C21-Y32 VanDerWaalsContact SG-CA 3.54Å; C21-A35 VanDerWaalsContact SG-CB 3.57Å; C21-V212 HydrophobicContact CB-CG1 4.32Å; C21-V212 HydrophobicContact CB-CG2 3.74Å
22V97.8Very high97.5Very high35 Ų3545.6 Ų45.621%0.21225%0.247CC..EExtended strand (participates in β ladder)trans-76.8120.4-168.7177.70000110.7K19 A20 K211 V212K19-V22 PolarHBondContact O-N 3.46Å; A20-V22 VanDerWaalsContact C-N 3.26Å; A20-V22 PolarHBondContact O-N 2.94Å; V22-K211 HydrophobicContact CG1-CD 4.19Å; V22-K211 HydrophobicContact CG2-CD 4.17Å; V22-K211 HydrophobicContact CG2-CG 4.37Å; V22-V212 HydrophobicContact CG2-CG2 3.71Å
23N96.2Very high97.7Very high86 Ų8641.5 Ų41.546%0.4623%0.231SC..EExtended strand (participates in β ladder)trans-129.283175.717946.8000110.2C21 D25 D26 L28C21-N23 PolarHBondContact O-N 2.95Å; N23-D25 PolarHBondContact O-N 2.85Å; N23-D26 CarbonylContact C-O 3.58Å; N23-D26 PolarHBondContact N-O 3.2Å; N23-D26 PolarHBondContact O-N 3.41Å; N23-D26 VanDerWaalsContact O-N 3.13Å; N23-L28 HydrophobicContact CB-CD1 4.35Å; N23-L28 HydrophobicContact CB-CD2 4.07Å; N23-L28 HydrophobicContact CB-CG 3.84Å
24G95.3Very high97.8Very high53 Ų5342.9 Ų42.955%0.54624%0.236SC..THydrogen-bonded Turntrans67.3-120.9-171.600000111.2
25D95.1Very high97.8Very high150 Ų15042.7 Ų42.780%0.80224%0.235SC*.THydrogen-bonded Turntrans-95.64.8175.6-62.7-38.2000112.9N23N23-D25 PolarHBondContact O-N 2.85Å
26D97.4Very high97.8Very high14 Ų1440.6 Ų40.68%0.07523%0.227CC..EExtended strand (participates in β ladder)trans-115.7171.8179-167.313.2000111.2N23 S77 V78 E79N23-D26 CarbonylContact C-O 3.58Å; N23-D26 PolarHBondContact N-O 3.2Å; N23-D26 PolarHBondContact O-N 3.41Å; N23-D26 VanDerWaalsContact O-N 3.13Å; D26-S77 WeakPolarHBondContact OD2-CB 3.47Å; D26-S77 PolarHBondContact OD2-OG 2.92Å; D26-V78 PolarHBondContact OD1-N 2.75Å; D26-E79 PolarHBondContact OD1-N 3.49Å; D26-E79 WeakPolarHBondContact OD2-CB 3.4Å
27V98.7Very high97.7Very high1 Ų138.9 Ų38.91%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-124.7128.3-179.3170.10000110.2C21 L29 Y32 S77 V78 V212 C215 I216C21-V27 HydrophobicContact CB-CG1 4.11Å; C21-V27 CarbonylContact O-C 3.58Å; C21-V27 VanDerWaalsContact O-CA 3.31Å; C21-V27 WeakPolarHBondContact O-CA 3.31Å; V27-L29 PolarHBondContact O-N 2.83Å; V27-Y32 HydrophobicContact CG1-CD2 4.12Å; V27-Y32 HydrophobicContact CG1-CG 4.37Å; V27-S77 CarbonylContact O-C 3.52Å; V27-S77 VanDerWaalsContact O-CA 3.24Å; V27-S77 WeakPolarHBondContact O-CA 3.38Å; V27-S77 WeakPolarHBondContact O-CB 3.14Å; V27-V78 HydrophobicContact CB-CB 4.46Å; V27-V78 HydrophobicContact CB-CG2 3.85Å; V27-V78 HydrophobicContact CG1-CG2 4.04Å; V27-V78 WeakPolarHBondContact O-CG2 3.32Å; V27-V78 PolarHBondContact O-N 3.43Å; V27-V212 HydrophobicContact CG1-CG1 4.21Å; V27-V212 HydrophobicContact CG2-CG1 4.03Å; V27-C215 HydrophobicContact CG2-CB 3.67Å; V27-I216 HydrophobicContact CB-CG1 4.15Å; V27-I216 HydrophobicContact CG1-CD1 4.33Å; V27-I216 HydrophobicContact CG1-CG1 4.42Å; V27-I216 HydrophobicContact CG2-CG1 3.94Å
28L98.7Very high97.5Very high30 Ų3037.1 Ų37.116%0.15721%0.212CC..BIsolated β-bridgetrans-72.9124.6172.4-58.2172000109.8C21 N23 E31 Y32 K76C21-L28 PolarHBondContact O-N 2.87Å; N23-L28 HydrophobicContact CB-CD1 4.35Å; N23-L28 HydrophobicContact CB-CD2 4.07Å; N23-L28 HydrophobicContact CB-CG 3.84Å; L28-E31 HydrophobicContact CB-CB 4.29Å; L28-E31 HydrophobicContact CB-CG 4.42Å; L28-E31 WeakPolarHBondContact CB-OE2 2.88Å; L28-E31 HydrophobicContact CD1-CG 4.42Å; L28-Y32 WeakPolarHBondContact O-CB 3.4Å; L28-Y32 PolarHBondContact O-N 2.95Å; L28-K76 HydrophobicContact CD2-CG 4.49Å
29L98.6Very high97.3Very high1 Ų137.6 Ų37.61%0.00522%0.215CC..Hα-helixtrans-66.6-42.1-174.8-168.567.7000113.7V27 Y32 C33 L64 Y75 K76 V78 M81 L105V27-L29 PolarHBondContact O-N 2.83Å; L29-Y32 WeakPolarHBondContact O-CB 3.36Å; L29-Y32 PolarHBondContact O-N 3.38Å; L29-C33 PolarHBondContact O-N 2.92Å; L29-C33 PolarHBondContact O-SG 3.21Å; L29-L64 HydrophobicContact CD1-CD1 4.25Å; L29-L64 HydrophobicContact CD1-CD2 4.48Å; L29-Y75 WeakPolarHBondContact CB-O 3.34Å; L29-Y75 HydrophobicContact CD2-CD1 4.12Å; L29-Y75 WeakPolarHBondContact CD2-O 3.32Å; L29-K76 PolarHBondContact N-O 3.44Å; L29-V78 HydrophobicContact CD1-CG2 4.38Å; L29-M81 HydrophobicContact CD2-SD 4.01Å; L29-L105 HydrophobicContact CD1-CD2 4.26Å
30P98.3Very high97Very high29 Ų2933 Ų3319%0.18820%0.197CC..Hα-helixtrans-66.6-42.6179.118.1-21.6000112Y32 C33 E34 Y68 K76P30-Y32 VanDerWaalsContact C-N 3.31Å; P30-Y32 PolarHBondContact O-N 2.85Å; P30-C33 WeakPolarHBondContact O-CB 3.33Å; P30-C33 PolarHBondContact O-N 3.23Å; P30-C33 VanDerWaalsContact O-N 3.16Å; P30-E34 PolarHBondContact O-N 3.18Å; P30-E34 VanDerWaalsContact O-N 3.1Å; P30-Y68 HydrophobicContact CB-CD1 4.11Å; P30-Y68 HydrophobicContact CB-CE1 3.95Å; P30-Y68 HydrophobicContact CG-CD1 4.41Å; P30-Y68 HydrophobicContact CG-CD2 4.45Å; P30-Y68 HydrophobicContact CG-CE1 4.04Å; P30-Y68 HydrophobicContact CG-CE2 4.07Å; P30-K76 VanDerWaalsContact CD-O 3.26Å; P30-K76 WeakPolarHBondContact CD-O 3.43Å
31E98.5Very high96.7Very high66 Ų6632.5 Ų32.531%0.30819%0.185SC..Hα-helixtrans-62.8-38.7174.9-7173.4-167.600111.3A20 C21 L28 C33 E34 A35A20-E31 HydrophobicContact CB-CG 4.17Å; C21-E31 PolarHBondContact SG-O 2.98Å; L28-E31 HydrophobicContact CB-CB 4.29Å; L28-E31 HydrophobicContact CB-CG 4.42Å; L28-E31 WeakPolarHBondContact CB-OE2 2.88Å; L28-E31 HydrophobicContact CD1-CG 4.42Å; E31-C33 VanDerWaalsContact C-N 3.34Å; E31-C33 PolarHBondContact O-N 2.97Å; E31-E34 PolarHBondContact O-N 3.42Å; E31-A35 WeakPolarHBondContact O-CB 3.34Å; E31-A35 PolarHBondContact O-N 2.85Å
32Y98.7Very high96.1Very high0 Ų033 Ų330%019%0.188CC..Hα-helixtrans-58.8-44.4172.5-179.6-91.3000112C21 V27 L28 L29 P30 E34 A35 Y36 L105 L108 L112 V212 I216C21-Y32 VanDerWaalsContact SG-CA 3.54Å; V27-Y32 HydrophobicContact CG1-CD2 4.12Å; V27-Y32 HydrophobicContact CG1-CG 4.37Å; L28-Y32 WeakPolarHBondContact O-CB 3.4Å; L28-Y32 PolarHBondContact O-N 2.95Å; L29-Y32 WeakPolarHBondContact O-CB 3.36Å; L29-Y32 PolarHBondContact O-N 3.38Å; P30-Y32 VanDerWaalsContact C-N 3.31Å; P30-Y32 PolarHBondContact O-N 2.85Å; Y32-E34 VanDerWaalsContact C-N 3.3Å; Y32-E34 PolarHBondContact O-N 2.97Å; Y32-A35 PolarHBondContact O-N 3.39Å; Y32-Y36 AromaticContact CE1-CD2 3.72Å; Y32-Y36 HydrophobicContact CE1-CD2 3.72Å; Y32-Y36 HydrophobicContact CE1-CE2 4.46Å; Y32-Y36 HydrophobicContact CE1-CG 4.4Å; Y32-Y36 HydrophobicContact CE2-CD2 4.25Å; Y32-Y36 AromaticContact CZ-CD2 3.49Å; Y32-Y36 VanDerWaalsContact CZ-CD2 3.49Å; Y32-Y36 WeakPolarHBondContact O-CB 3.39Å; Y32-Y36 PolarHBondContact O-N 2.97Å; Y32-Y36 VanDerWaalsContact OH-CD2 3.26Å; Y32-Y36 WeakPolarHBondContact OH-CD2 3.27Å; Y32-Y36 VanDerWaalsContact OH-CE2 3.28Å; Y32-Y36 WeakPolarHBondContact OH-CE2 3.42Å; Y32-L105 HydrophobicContact CD1-CD1 3.78Å; Y32-L105 HydrophobicContact CE1-CD1 3.23Å; Y32-L105 HydrophobicContact CE2-CD1 4.46Å; Y32-L108 HydrophobicContact CE1-CB 4.41Å; Y32-L108 HydrophobicContact CE1-CD1 4.38Å; Y32-L112 HydrophobicContact CE2-CD2 4.18Å; Y32-V212 HydrophobicContact CD2-CG1 3.83Å; Y32-V212 HydrophobicContact CE2-CG1 4.05Å; Y32-I216 HydrophobicContact CD2-CD1 3.72Å; Y32-I216 HydrophobicContact CE2-CD1 3.36Å
33C98.4Very high95.5Very high2 Ų232.5 Ų32.51%0.01418%0.184CC..Hα-helixtrans-61.5-39.8177.4-66.80000112L29 P30 E31 T37 V61 R65L29-C33 PolarHBondContact O-N 2.92Å; L29-C33 PolarHBondContact O-SG 3.21Å; P30-C33 WeakPolarHBondContact O-CB 3.33Å; P30-C33 PolarHBondContact O-N 3.23Å; P30-C33 VanDerWaalsContact O-N 3.16Å; E31-C33 VanDerWaalsContact C-N 3.34Å; E31-C33 PolarHBondContact O-N 2.97Å; C33-T37 WeakPolarHBondContact O-CB 3.48Å; C33-T37 PolarHBondContact O-N 3.44Å; C33-T37 PolarHBondContact O-OG1 3.1Å; C33-V61 HydrophobicContact CB-CG1 3.79Å; C33-R65 HydrophobicContact CB-CG 4.04Å; C33-R65 PolarHBondContact O-NH2 2.91Å
34E97.8Very high94.9Very high82 Ų8231.3 Ų31.338%0.38318%0.179SC..Hα-helixtrans-66-45.3175.6-67.9-51.8115.900112.3K17 P30 E31 Y32 T37 E38 R65K17-E34 IonicContact NZ-OE2 3.68Å; P30-E34 PolarHBondContact O-N 3.18Å; P30-E34 VanDerWaalsContact O-N 3.1Å; E31-E34 PolarHBondContact O-N 3.42Å; Y32-E34 VanDerWaalsContact C-N 3.3Å; Y32-E34 PolarHBondContact O-N 2.97Å; E34-T37 PolarHBondContact O-N 2.8Å; E34-E38 PolarHBondContact O-N 2.75Å; E34-E38 VanDerWaalsContact O-N 3.11Å; E34-R65 IonicContact OE1-CZ 2.66Å; E34-R65 IonicContact OE1-NE 2.92Å; E34-R65 PolarHBondContact OE1-NE 3.38Å; E34-R65 IonicContact OE1-NH2 2.81Å; E34-R65 PolarHBondContact OE1-NH2 3.4Å
35A97.8Very high94.4Very high0 Ų030.3 Ų30.30%016%0.16CC..Hα-helixtrans-63.1-43.2176.500000112.1K17 F18 C21 E31 Y32 T37 E38 V39K17-A35 HydrophobicContact CB-CB 3.83Å; F18-A35 HydrophobicContact CD1-CB 4.11Å; F18-A35 HydrophobicContact CD2-CB 3.82Å; F18-A35 HydrophobicContact CE1-CB 4.18Å; F18-A35 HydrophobicContact CE2-CB 3.87Å; F18-A35 HydrophobicContact CG-CB 3.93Å; F18-A35 HydrophobicContact CZ-CB 4.06Å; C21-A35 VanDerWaalsContact SG-CB 3.57Å; E31-A35 WeakPolarHBondContact O-CB 3.34Å; E31-A35 PolarHBondContact O-N 2.85Å; Y32-A35 PolarHBondContact O-N 3.39Å; A35-T37 VanDerWaalsContact C-N 3.35Å; A35-E38 PolarHBondContact O-N 2.75Å; A35-V39 PolarHBondContact O-N 3.11Å; A35-V39 VanDerWaalsContact O-N 3.1Å
36Y97.1Very high93.8Very high4 Ų424.3 Ų24.32%0.01613%0.126CC..Hα-helixtrans-66.4-38.9179-147.8-72.5000111.6Y32 E38 V39 S40 V57 V61 L108 A111 L112Y32-Y36 AromaticContact CE1-CD2 3.72Å; Y32-Y36 HydrophobicContact CE1-CD2 3.72Å; Y32-Y36 HydrophobicContact CE1-CE2 4.46Å; Y32-Y36 HydrophobicContact CE1-CG 4.4Å; Y32-Y36 HydrophobicContact CE2-CD2 4.25Å; Y32-Y36 AromaticContact CZ-CD2 3.49Å; Y32-Y36 VanDerWaalsContact CZ-CD2 3.49Å; Y32-Y36 WeakPolarHBondContact O-CB 3.39Å; Y32-Y36 PolarHBondContact O-N 2.97Å; Y32-Y36 VanDerWaalsContact OH-CD2 3.26Å; Y32-Y36 WeakPolarHBondContact OH-CD2 3.27Å; Y32-Y36 VanDerWaalsContact OH-CE2 3.28Å; Y32-Y36 WeakPolarHBondContact OH-CE2 3.42Å; Y36-E38 VanDerWaalsContact C-N 3.31Å; Y36-E38 PolarHBondContact O-N 2.99Å; Y36-V39 WeakPolarHBondContact O-CG1 3.31Å; Y36-V39 PolarHBondContact O-N 3.3Å; Y36-S40 WeakPolarHBondContact CD1-OG 3.24Å; Y36-S40 VanDerWaalsContact O-CB 3.26Å; Y36-S40 WeakPolarHBondContact O-CB 3.32Å; Y36-S40 PolarHBondContact O-N 3.43Å; Y36-S40 PolarHBondContact O-OG 3.32Å; Y36-V57 HydrophobicContact CD1-CG1 3.82Å; Y36-V57 HydrophobicContact CE1-CG1 3.59Å; Y36-V57 HydrophobicContact CE1-CG2 4.48Å; Y36-V61 HydrophobicContact CD1-CG2 4.13Å; Y36-V61 HydrophobicContact CG-CG2 4.43Å; Y36-L108 HydrophobicContact CD1-CD2 4.14Å; Y36-L108 HydrophobicContact CD2-CB 4.27Å; Y36-L108 HydrophobicContact CE1-CD2 3.71Å; Y36-L108 HydrophobicContact CE2-CB 3.73Å; Y36-L108 HydrophobicContact CE2-CD2 4.3Å; Y36-L108 WeakPolarHBondContact CE2-O 3.35Å; Y36-L108 PolarHBondContact OH-O 2.94Å; Y36-A111 VanDerWaalsContact OH-CB 3.3Å; Y36-A111 WeakPolarHBondContact OH-CB 3.48Å; Y36-L112 HydrophobicContact CE2-CB 3.98Å; Y36-L112 HydrophobicContact CE2-CD1 4.33Å; Y36-L112 PolarHBondContact OH-N 3.39Å
37T95.4Very high93.1Very high50 Ų5025.2 Ų25.231%0.30714%0.139SC..Hα-helixtrans-60.3-43.6174.5-60.30000110.9C33 E34 A35 S40 K41 R65C33-T37 WeakPolarHBondContact O-CB 3.48Å; C33-T37 PolarHBondContact O-N 3.44Å; C33-T37 PolarHBondContact O-OG1 3.1Å; E34-T37 PolarHBondContact O-N 2.8Å; A35-T37 VanDerWaalsContact C-N 3.35Å; T37-S40 PolarHBondContact O-N 3.3Å; T37-K41 PolarHBondContact O-N 3.06Å; T37-R65 PolarHBondContact OG1-NH1 2.86Å; T37-R65 PolarHBondContact OG1-NH2 3.14Å
38E95Very high92.3Very high10 Ų1032.6 Ų32.65%0.04718%0.178CC..Hα-helixtrans-63.1-48.6180-167.264.6-160.700112.3L9 N13 V14 K17 E34 A35 Y36 S40 K41L9-E38 WeakPolarHBondContact CD1-O 3.37Å; N13-E38 HydrophobicContact CB-CG 4.42Å; N13-E38 PolarHBondContact ND2-OE1 3.5Å; N13-E38 PolarHBondContact ND2-OE2 3.41Å; V14-E38 HydrophobicContact CG2-CB 4.45Å; V14-E38 HydrophobicContact CG2-CG 3.68Å; K17-E38 HydrophobicContact CD-CB 3.6Å; K17-E38 HydrophobicContact CD-CG 3.95Å; E34-E38 PolarHBondContact O-N 2.75Å; E34-E38 VanDerWaalsContact O-N 3.11Å; A35-E38 PolarHBondContact O-N 2.75Å; Y36-E38 VanDerWaalsContact C-N 3.31Å; Y36-E38 PolarHBondContact O-N 2.99Å; E38-S40 PolarHBondContact O-N 3.31Å; E38-K41 WeakPolarHBondContact O-CB 3.4Å; E38-K41 WeakPolarHBondContact O-CG 3.48Å; E38-K41 PolarHBondContact O-N 2.9Å; E38-K41 IonicContact OE1-NZ 2.7Å; E38-K41 PolarHBondContact OE1-NZ 3.3Å; E38-K41 VanDerWaalsContact OE2-CE 3.29Å; E38-K41 WeakPolarHBondContact OE2-CE 3.23Å; E38-K41 IonicContact OE2-NZ 2.72Å; E38-K41 PolarHBondContact OE2-NZ 3.12Å
39V93.5Very high91.7Very high10 Ų1036 Ų366%0.06120%0.196CC..Hα-helixtrans-67.9-27.1179.673.70000112.4F18 A35 Y36 K41 L42 V115 M209F18-V39 HydrophobicContact CE2-CB 4.11Å; F18-V39 HydrophobicContact CE2-CG1 4.18Å; F18-V39 HydrophobicContact CZ-CG1 4.15Å; A35-V39 PolarHBondContact O-N 3.11Å; A35-V39 VanDerWaalsContact O-N 3.1Å; Y36-V39 WeakPolarHBondContact O-CG1 3.31Å; Y36-V39 PolarHBondContact O-N 3.3Å; V39-K41 PolarHBondContact O-N 3.27Å; V39-L42 PolarHBondContact O-N 3.28Å; V39-V115 HydrophobicContact CG2-CG1 3.76Å; V39-M209 HydrophobicContact CG2-CE 3.99Å
40S92.8Very high91.1Very high16 Ų1636.9 Ų36.911%0.11220%0.2CC..Hα-helixtrans-72-14.6178.7-59.70000113.7Y36 T37 E38 L42 L43 V57Y36-S40 WeakPolarHBondContact CD1-OG 3.24Å; Y36-S40 VanDerWaalsContact O-CB 3.26Å; Y36-S40 WeakPolarHBondContact O-CB 3.32Å; Y36-S40 PolarHBondContact O-N 3.43Å; Y36-S40 PolarHBondContact O-OG 3.32Å; T37-S40 PolarHBondContact O-N 3.3Å; E38-S40 PolarHBondContact O-N 3.31Å; S40-L42 PolarHBondContact O-N 2.94Å; S40-L43 WeakPolarHBondContact O-CB 3.23Å; S40-L43 PolarHBondContact O-N 2.81Å; S40-V57 VanDerWaalsContact OG-CG1 3.3Å; S40-V57 WeakPolarHBondContact OG-CG1 3.47Å
41K90.6Very high90.7Very high43 Ų4342.9 Ų42.919%0.18722%0.22CC..Hα-helixtrans-57-30.2172.1-67.5180179.8170.80112.3N6 S8 T37 E38 V39 L43 V44 Y45N6-K41 WeakPolarHBondContact O-CB 3.35Å; S8-K41 VanDerWaalsContact O-CD 3.28Å; S8-K41 WeakPolarHBondContact O-CD 3.24Å; T37-K41 PolarHBondContact O-N 3.06Å; E38-K41 WeakPolarHBondContact O-CB 3.4Å; E38-K41 WeakPolarHBondContact O-CG 3.48Å; E38-K41 PolarHBondContact O-N 2.9Å; E38-K41 IonicContact OE1-NZ 2.7Å; E38-K41 PolarHBondContact OE1-NZ 3.3Å; E38-K41 VanDerWaalsContact OE2-CE 3.29Å; E38-K41 WeakPolarHBondContact OE2-CE 3.23Å; E38-K41 IonicContact OE2-NZ 2.72Å; E38-K41 PolarHBondContact OE2-NZ 3.12Å; V39-K41 PolarHBondContact O-N 3.27Å; K41-L43 VanDerWaalsContact C-N 3.28Å; K41-L43 PolarHBondContact O-N 2.77Å; K41-V44 WeakPolarHBondContact O-CB 3.5Å; K41-V44 PolarHBondContact O-N 3.29Å; K41-V44 VanDerWaalsContact O-N 3.16Å; K41-Y45 PolarHBondContact O-N 3.07Å
42L86Confident90.3Very high12 Ų1243.5 Ų43.56%0.06322%0.222CC..Hα-helixtrans-64.4-33.4174.9-172.373.9000112.9L9 V39 S40 V44 Y45 F46 M119 L177L9-L42 HydrophobicContact CD1-CB 4.5Å; L9-L42 HydrophobicContact CD2-CB 4.45Å; L9-L42 HydrophobicContact CD2-CD1 4.37Å; V39-L42 PolarHBondContact O-N 3.28Å; S40-L42 PolarHBondContact O-N 2.94Å; L42-V44 PolarHBondContact O-N 3.26Å; L42-Y45 HydrophobicContact CD1-CD1 4.37Å; L42-Y45 WeakPolarHBondContact O-CB 3.33Å; L42-Y45 PolarHBondContact O-N 3.23Å; L42-Y45 VanDerWaalsContact O-N 3.14Å; L42-F46 HydrophobicContact CD2-CZ 4.22Å; L42-F46 HydrophobicContact CG-CE2 4.42Å; L42-F46 HydrophobicContact CG-CZ 4.15Å; L42-M119 HydrophobicContact CD2-CE 3.12Å; L42-M119 HydrophobicContact CG-CE 4.44Å; L42-L177 HydrophobicContact CD1-CD1 3.65Å; L42-L177 HydrophobicContact CG-CD1 4.5Å
43L85Confident89.9Confident23 Ų2345.3 Ų45.312%0.1223%0.233CC..Hα-helixtrans-65.6-31177.4-60.8174.4000111.2S40 K41 Y45 F46 V53 T54 V57S40-L43 WeakPolarHBondContact O-CB 3.23Å; S40-L43 PolarHBondContact O-N 2.81Å; K41-L43 VanDerWaalsContact C-N 3.28Å; K41-L43 PolarHBondContact O-N 2.77Å; L43-Y45 VanDerWaalsContact C-N 3.31Å; L43-F46 HydrophobicContact CD2-CD2 4.33Å; L43-F46 HydrophobicContact CD2-CE2 4.29Å; L43-F46 PolarHBondContact O-N 2.79Å; L43-V53 HydrophobicContact CD1-CG1 4.06Å; L43-V53 HydrophobicContact CD2-CG1 4.48Å; L43-T54 HydrophobicContact CB-CG2 3.49Å; L43-T54 VanDerWaalsContact CB-CG2 3.49Å; L43-V57 HydrophobicContact CD1-CG2 4.14Å
44V84.3Confident89.5Confident61 Ų6146.2 Ų46.237%0.3724%0.238SC..Hα-helixtrans-66.2-35.6175.1-176.10000111A7 K41 L42 F46 G47 T54A7-V44 HydrophobicContact CB-CG1 4.37Å; K41-V44 WeakPolarHBondContact O-CB 3.5Å; K41-V44 PolarHBondContact O-N 3.29Å; K41-V44 VanDerWaalsContact O-N 3.16Å; L42-V44 PolarHBondContact O-N 3.26Å; V44-F46 PolarHBondContact O-N 3.5Å; V44-G47 PolarHBondContact O-N 3.09Å; V44-T54 HydrophobicContact CG2-CG2 4.29Å
45Y84.9Confident89.3Confident33 Ų3344.8 Ų44.813%0.12924%0.237CC..Hα-helixtrans-60.3-32.2176.5168.7-108.7000113H3 K41 L42 L43 G47 P172 H176 L177 H180H3-Y45 AromaticContact CD2-CE2 3.97Å; H3-Y45 AromaticContact NE2-CD2 3.83Å; H3-Y45 AromaticContact NE2-CE2 3.6Å; K41-Y45 PolarHBondContact O-N 3.07Å; L42-Y45 HydrophobicContact CD1-CD1 4.37Å; L42-Y45 WeakPolarHBondContact O-CB 3.33Å; L42-Y45 PolarHBondContact O-N 3.23Å; L42-Y45 VanDerWaalsContact O-N 3.14Å; L43-Y45 VanDerWaalsContact C-N 3.31Å; Y45-G47 PolarHBondContact O-N 2.97Å; Y45-P172 HydrophobicContact CE1-CG 3.81Å; Y45-H176 PolarHBondContact OH-O 3.37Å; Y45-L177 HydrophobicContact CD1-CD1 4.16Å; Y45-L177 HydrophobicContact CE1-CD1 3.96Å; Y45-H180 AromaticContact CD1-CD2 3.87Å; Y45-H180 HydrophobicContact CD2-CB 4.47Å; Y45-H180 AromaticContact CD2-CD2 3.54Å; Y45-H180 AromaticContact CD2-CE1 3.45Å; Y45-H180 VanDerWaalsContact CD2-CE1 3.45Å; Y45-H180 WeakPolarHBondContact CD2-CE1 3.37Å; Y45-H180 AromaticContact CD2-CG 3.6Å; Y45-H180 AromaticContact CD2-ND1 3.56Å; Y45-H180 AromaticContact CD2-NE2 3.43Å; Y45-H180 WeakPolarHBondContact CD2-NE2 3.31Å; Y45-H180 HydrophobicContact CE1-CB 4.11Å; Y45-H180 HydrophobicContact CE2-CB 3.78Å; Y45-H180 AromaticContact CE2-CD2 3.74Å; Y45-H180 AromaticContact CE2-CE1 3.81Å; Y45-H180 AromaticContact CE2-CG 3.33Å; Y45-H180 AromaticContact CE2-ND1 3.39Å; Y45-H180 WeakPolarHBondContact CE2-ND1 3.26Å; Y45-H180 AromaticContact CG-CD2 3.6Å; Y45-H180 AromaticContact CG-NE2 3.63Å; Y45-H180 AromaticContact CZ-CD2 3.99Å; Y45-H180 AromaticContact CZ-CG 3.59Å
46F83.2Confident89.1Confident23 Ų2348.6 Ų48.610%0.10126%0.258CS..THydrogen-bonded Turntrans-73-6176.8-55.1-42.1000114.4L42 L43 V44 F50 L171 P172 L177L42-F46 HydrophobicContact CD2-CZ 4.22Å; L42-F46 HydrophobicContact CG-CE2 4.42Å; L42-F46 HydrophobicContact CG-CZ 4.15Å; L43-F46 HydrophobicContact CD2-CD2 4.33Å; L43-F46 HydrophobicContact CD2-CE2 4.29Å; L43-F46 PolarHBondContact O-N 2.79Å; V44-F46 PolarHBondContact O-N 3.5Å; F46-F50 HydrophobicContact CB-CB 4.04Å; F46-F50 HydrophobicContact CB-CD1 4.15Å; F46-F50 HydrophobicContact CB-CD2 3.22Å; F46-F50 HydrophobicContact CB-CE1 4.48Å; F46-F50 HydrophobicContact CB-CE2 3.62Å; F46-F50 HydrophobicContact CB-CG 3.52Å; F46-F50 HydrophobicContact CB-CZ 4.25Å; F46-F50 AromaticContact CD2-CD1 3.84Å; F46-F50 HydrophobicContact CD2-CD1 3.84Å; F46-F50 HydrophobicContact CD2-CD2 4.35Å; F46-F50 AromaticContact CD2-CE1 3.85Å; F46-F50 HydrophobicContact CD2-CE1 3.85Å; F46-F50 HydrophobicContact CD2-CE2 4.34Å; F46-F50 HydrophobicContact CD2-CG 4.1Å; F46-F50 HydrophobicContact CD2-CZ 4.12Å; F46-F50 HydrophobicContact CG-CD1 4.43Å; F46-F50 HydrophobicContact CG-CD2 4.14Å; F46-F50 HydrophobicContact CG-CE1 4.47Å; F46-F50 HydrophobicContact CG-CE2 4.16Å; F46-F50 HydrophobicContact CG-CG 4.27Å; F46-F50 HydrophobicContact CG-CZ 4.35Å; F46-L171 HydrophobicContact CD1-CD2 3.69Å; F46-L171 HydrophobicContact CD2-CD2 3.89Å; F46-L171 HydrophobicContact CE1-CD2 3.68Å; F46-L171 HydrophobicContact CE2-CD2 3.89Å; F46-L171 HydrophobicContact CG-CD2 3.8Å; F46-L171 HydrophobicContact CZ-CD2 3.79Å; F46-P172 HydrophobicContact CD1-CG 4.12Å; F46-P172 HydrophobicContact CE1-CG 4.14Å; F46-L177 HydrophobicContact CE1-CD1 4.11Å; F46-L177 HydrophobicContact CE1-CD2 4.5Å; F46-L177 HydrophobicContact CZ-CD1 4.46Å
47G80.9Confident89.1Confident33 Ų3348.9 Ų48.934%0.3426%0.26SS..  trans75-161.3169.400000115.3V44 Y45 L49 F50V44-G47 PolarHBondContact O-N 3.09Å; Y45-G47 PolarHBondContact O-N 2.97Å; G47-L49 VanDerWaalsContact C-N 3.27Å; G47-L49 PolarHBondContact O-N 2.87Å; G47-L49 VanDerWaalsContact O-N 3.12Å; G47-F50 PolarHBondContact O-N 3.21Å
48N83.7Confident89.1Confident157 Ų15750 Ų5084%0.8427%0.27SS*.G310 helixtrans-59.8-30.2-164.3-68-13000114.8F50 Y51N48-F50 PolarHBondContact O-N 3.01Å; N48-Y51 WeakPolarHBondContact O-CB 3.39Å; N48-Y51 PolarHBondContact O-N 2.88Å; N48-Y51 VanDerWaalsContact O-N 3.07Å
49L85.5Confident89.2Confident100 Ų10055.3 Ų55.352%0.52429%0.294SS..G310 helixtrans-70.5-15.2178.8-74.9168.3000112.8G47 F52 A170G47-L49 VanDerWaalsContact C-N 3.27Å; G47-L49 PolarHBondContact O-N 2.87Å; G47-L49 VanDerWaalsContact O-N 3.12Å; L49-F52 WeakPolarHBondContact O-CE1 3.48Å; L49-A170 HydrophobicContact CB-CB 3.72Å; L49-A170 HydrophobicContact CD1-CB 3.3Å; L49-A170 HydrophobicContact CG-CB 4.1Å
50F86.5Confident89.4Confident20 Ų2056 Ų569%0.08830%0.296CS..G310 helixtrans-98.42.4172.4-77-100.3000113.3F46 G47 N48 F52 V53 T54 A167 A170 L171F46-F50 HydrophobicContact CB-CB 4.04Å; F46-F50 HydrophobicContact CB-CD1 4.15Å; F46-F50 HydrophobicContact CB-CD2 3.22Å; F46-F50 HydrophobicContact CB-CE1 4.48Å; F46-F50 HydrophobicContact CB-CE2 3.62Å; F46-F50 HydrophobicContact CB-CG 3.52Å; F46-F50 HydrophobicContact CB-CZ 4.25Å; F46-F50 AromaticContact CD2-CD1 3.84Å; F46-F50 HydrophobicContact CD2-CD1 3.84Å; F46-F50 HydrophobicContact CD2-CD2 4.35Å; F46-F50 AromaticContact CD2-CE1 3.85Å; F46-F50 HydrophobicContact CD2-CE1 3.85Å; F46-F50 HydrophobicContact CD2-CE2 4.34Å; F46-F50 HydrophobicContact CD2-CG 4.1Å; F46-F50 HydrophobicContact CD2-CZ 4.12Å; F46-F50 HydrophobicContact CG-CD1 4.43Å; F46-F50 HydrophobicContact CG-CD2 4.14Å; F46-F50 HydrophobicContact CG-CE1 4.47Å; F46-F50 HydrophobicContact CG-CE2 4.16Å; F46-F50 HydrophobicContact CG-CG 4.27Å; F46-F50 HydrophobicContact CG-CZ 4.35Å; G47-F50 PolarHBondContact O-N 3.21Å; N48-F50 PolarHBondContact O-N 3.01Å; F50-F52 PolarHBondContact O-N 3.38Å; F50-F52 VanDerWaalsContact O-N 3.14Å; F50-V53 HydrophobicContact CD1-CG2 4.29Å; F50-V53 WeakPolarHBondContact O-CA 3.28Å; F50-V53 WeakPolarHBondContact O-CB 3.27Å; F50-V53 PolarHBondContact O-N 3.14Å; F50-T54 PolarHBondContact O-N 3.01Å; F50-T54 PolarHBondContact O-OG1 3.33Å; F50-A167 HydrophobicContact CE1-CB 4.29Å; F50-A167 HydrophobicContact CE2-CB 4.12Å; F50-A167 WeakPolarHBondContact CE2-O 3.43Å; F50-A167 HydrophobicContact CZ-CB 3.99Å; F50-A167 WeakPolarHBondContact CZ-O 3.45Å; F50-A170 HydrophobicContact CE2-CB 4.39Å; F50-L171 HydrophobicContact CE1-CD2 4.12Å; F50-L171 HydrophobicContact CE2-CD2 3.78Å; F50-L171 HydrophobicContact CE2-CG 4.18Å; F50-L171 HydrophobicContact CZ-CD2 3.31Å; F50-L171 HydrophobicContact CZ-CG 3.73Å
51Y88.7Confident89.6Confident156 Ų15655.4 Ų55.461%0.61229%0.292SS*.Hα-helixtrans-55-38.3-176.4178.7-103.3000113N48 V53 T54 S55N48-Y51 WeakPolarHBondContact O-CB 3.39Å; N48-Y51 PolarHBondContact O-N 2.88Å; N48-Y51 VanDerWaalsContact O-N 3.07Å; Y51-V53 VanDerWaalsContact C-N 3.28Å; Y51-V53 PolarHBondContact O-N 3.4Å; Y51-T54 VanDerWaalsContact CA-OG1 3.25Å; Y51-T54 WeakPolarHBondContact CA-OG1 3.26Å; Y51-T54 PolarHBondContact O-N 2.81Å; Y51-T54 PolarHBondContact O-OG1 3.35Å; Y51-S55 WeakPolarHBondContact O-CB 3.31Å; Y51-S55 PolarHBondContact O-N 3.18Å
52F89.9Confident90Very high78 Ų7855.9 Ų55.934%0.34230%0.301SS..Hα-helixtrans-64.3-35177.877.8-86.8000112.1L49 F50 D56 A163 V164 A167L49-F52 WeakPolarHBondContact O-CE1 3.48Å; F50-F52 PolarHBondContact O-N 3.38Å; F50-F52 VanDerWaalsContact O-N 3.14Å; F52-D56 VanDerWaalsContact O-CB 3.25Å; F52-D56 WeakPolarHBondContact O-CB 3.47Å; F52-D56 PolarHBondContact O-N 3.46Å; F52-D56 VanDerWaalsContact O-N 3.12Å; F52-A163 HydrophobicContact CZ-CB 4.3Å; F52-V164 HydrophobicContact CE2-CG2 4.35Å; F52-V164 HydrophobicContact CZ-CG2 4.16Å; F52-A167 HydrophobicContact CE1-CB 3.95Å; F52-A167 HydrophobicContact CZ-CB 4.27Å
53V90.8Very high90.5Very high38 Ų3858.1 Ų58.123%0.2331%0.311CS..Hα-helixtrans-73.6-48.3176.6-171.60000110L43 F50 Y51 S55 D56 V57L43-V53 HydrophobicContact CD1-CG1 4.06Å; L43-V53 HydrophobicContact CD2-CG1 4.48Å; F50-V53 HydrophobicContact CD1-CG2 4.29Å; F50-V53 WeakPolarHBondContact O-CA 3.28Å; F50-V53 WeakPolarHBondContact O-CB 3.27Å; F50-V53 PolarHBondContact O-N 3.14Å; Y51-V53 VanDerWaalsContact C-N 3.28Å; Y51-V53 PolarHBondContact O-N 3.4Å; V53-S55 VanDerWaalsContact C-N 3.29Å; V53-S55 PolarHBondContact O-N 3.36Å; V53-D56 PolarHBondContact O-N 3.44Å; V53-V57 HydrophobicContact CG1-CG2 4.49Å; V53-V57 WeakPolarHBondContact O-CG2 3.27Å; V53-V57 PolarHBondContact O-N 3.49Å
54T90.3Very high91.2Very high21 Ų2157 Ų5713%0.12931%0.305CS..Hα-helixtrans-61.5-39.9-179.954.60000111.6L43 V44 F50 Y51 S58L43-T54 HydrophobicContact CB-CG2 3.49Å; L43-T54 VanDerWaalsContact CB-CG2 3.49Å; V44-T54 HydrophobicContact CG2-CG2 4.29Å; F50-T54 PolarHBondContact O-N 3.01Å; F50-T54 PolarHBondContact O-OG1 3.33Å; Y51-T54 VanDerWaalsContact CA-OG1 3.25Å; Y51-T54 WeakPolarHBondContact CA-OG1 3.26Å; Y51-T54 PolarHBondContact O-N 2.81Å; Y51-T54 PolarHBondContact O-OG1 3.35Å; T54-S58 VanDerWaalsContact O-CB 3.3Å; T54-S58 WeakPolarHBondContact O-CB 3.17Å; T54-S58 PolarHBondContact O-N 2.97Å; T54-S58 PolarHBondContact O-OG 2.98Å
55S93.4Very high91.8Very high53 Ų5358 Ų5837%0.37130%0.302SS..Hα-helixtrans-66.4-47.1177-177.40000111.5Y51 V53 V57 S58 H59Y51-S55 WeakPolarHBondContact O-CB 3.31Å; Y51-S55 PolarHBondContact O-N 3.18Å; V53-S55 VanDerWaalsContact C-N 3.29Å; V53-S55 PolarHBondContact O-N 3.36Å; S55-V57 VanDerWaalsContact C-N 3.34Å; S55-V57 PolarHBondContact O-N 3.26Å; S55-S58 PolarHBondContact O-N 3.18Å; S55-H59 WeakPolarHBondContact O-CB 3.32Å; S55-H59 PolarHBondContact O-N 3.37Å
56D94.5Very high92.5Very high80 Ų8061.1 Ų61.143%0.42832%0.322SS..Hα-helixtrans-58.5-44.8177.9-175.276000112.3F52 V53 K60F52-D56 VanDerWaalsContact O-CB 3.25Å; F52-D56 WeakPolarHBondContact O-CB 3.47Å; F52-D56 PolarHBondContact O-N 3.46Å; F52-D56 VanDerWaalsContact O-N 3.12Å; V53-D56 PolarHBondContact O-N 3.44Å; D56-K60 WeakPolarHBondContact O-CG 3.04Å; D56-K60 PolarHBondContact O-N 2.93Å; D56-K60 IonicContact OD1-NZ 3.64Å; D56-K60 PolarHBondContact OD1-NZ 3.44Å; D56-K60 IonicContact OD2-NZ 3.97Å; D56-K60 PolarHBondContact OD2-NZ 3.07Å
57V95.3Very high93.2Very high9 Ų961.8 Ų61.86%0.05533%0.326CS..Hα-helixtrans-64.8-49.4176.3170.70000111Y36 S40 L43 V53 S55 H59 K60 V61 L108Y36-V57 HydrophobicContact CD1-CG1 3.82Å; Y36-V57 HydrophobicContact CE1-CG1 3.59Å; Y36-V57 HydrophobicContact CE1-CG2 4.48Å; S40-V57 VanDerWaalsContact OG-CG1 3.3Å; S40-V57 WeakPolarHBondContact OG-CG1 3.47Å; L43-V57 HydrophobicContact CD1-CG2 4.14Å; V53-V57 HydrophobicContact CG1-CG2 4.49Å; V53-V57 WeakPolarHBondContact O-CG2 3.27Å; V53-V57 PolarHBondContact O-N 3.49Å; S55-V57 VanDerWaalsContact C-N 3.34Å; S55-V57 PolarHBondContact O-N 3.26Å; V57-H59 VanDerWaalsContact C-N 3.32Å; V57-H59 PolarHBondContact O-N 3.17Å; V57-K60 PolarHBondContact O-N 3.3Å; V57-V61 HydrophobicContact CG1-CG2 4.31Å; V57-V61 WeakPolarHBondContact O-CG2 3.48Å; V57-V61 PolarHBondContact O-N 2.75Å; V57-L108 HydrophobicContact CG1-CD2 4.16Å; V57-L108 HydrophobicContact CG2-CD2 4.5Å
58S95.2Very high94Very high74 Ų7463.6 Ų63.652%0.51732%0.323SS..Hα-helixtrans-59.9-42.5-178-59.80000111.9T54 S55 V61 S62T54-S58 VanDerWaalsContact O-CB 3.3Å; T54-S58 WeakPolarHBondContact O-CB 3.17Å; T54-S58 PolarHBondContact O-N 2.97Å; T54-S58 PolarHBondContact O-OG 2.98Å; S55-S58 PolarHBondContact O-N 3.18Å; S58-V61 PolarHBondContact O-N 3.35Å; S58-S62 WeakPolarHBondContact O-CB 3.3Å; S58-S62 PolarHBondContact O-N 2.78Å
59H97.3Very high94.7Very high122 Ų12259.3 Ų59.357%0.56531%0.31SS*.Hα-helixtrans-60.8-46.8176-179.9-85.5000111.9S55 V57 S62 E63S55-H59 WeakPolarHBondContact O-CB 3.32Å; S55-H59 PolarHBondContact O-N 3.37Å; V57-H59 VanDerWaalsContact C-N 3.32Å; V57-H59 PolarHBondContact O-N 3.17Å; H59-S62 WeakPolarHBondContact O-CB 3.36Å; H59-S62 PolarHBondContact O-N 2.9Å; H59-E63 PolarHBondContact O-N 3.33Å
60K97.7Very high95.3Very high24 Ų2458.9 Ų58.910%0.10432%0.32CS..Hα-helixtrans-65.6-40179.8-72.7-172.5178.264.70113D56 V57 S62 E63 L64 T104 R107 L108D56-K60 WeakPolarHBondContact O-CG 3.04Å; D56-K60 PolarHBondContact O-N 2.93Å; D56-K60 IonicContact OD1-NZ 3.64Å; D56-K60 PolarHBondContact OD1-NZ 3.44Å; D56-K60 IonicContact OD2-NZ 3.97Å; D56-K60 PolarHBondContact OD2-NZ 3.07Å; V57-K60 PolarHBondContact O-N 3.3Å; K60-S62 VanDerWaalsContact C-N 3.32Å; K60-E63 PolarHBondContact O-N 3.42Å; K60-L64 WeakPolarHBondContact O-CG 3.3Å; K60-L64 PolarHBondContact O-N 3.35Å; K60-L64 VanDerWaalsContact O-N 3.12Å; K60-T104 HydrophobicContact CB-CG2 3.6Å; K60-T104 HydrophobicContact CD-CG2 4.36Å; K60-T104 HydrophobicContact CG-CG2 3.85Å; K60-T104 VanDerWaalsContact O-CG2 3.31Å; K60-T104 WeakPolarHBondContact O-CG2 3.36Å; K60-R107 HydrophobicContact CD-CB 3.78Å; K60-R107 VanDerWaalsContact CE-CB 3.5Å; K60-L108 HydrophobicContact CB-CD1 3.98Å; K60-L108 HydrophobicContact CB-CD2 3.94Å; K60-L108 HydrophobicContact CB-CG 3.95Å; K60-L108 HydrophobicContact CD-CD2 4.31Å; K60-L108 HydrophobicContact CD-CG 4.25Å
61V98.1Very high95.8Very high3 Ų359.9 Ų59.92%0.01833%0.326CS..Hα-helixtrans-65.6-39.5175-177.70000110.3C33 Y36 V57 S58 L64 R65 L108C33-V61 HydrophobicContact CB-CG1 3.79Å; Y36-V61 HydrophobicContact CD1-CG2 4.13Å; Y36-V61 HydrophobicContact CG-CG2 4.43Å; V57-V61 HydrophobicContact CG1-CG2 4.31Å; V57-V61 WeakPolarHBondContact O-CG2 3.48Å; V57-V61 PolarHBondContact O-N 2.75Å; S58-V61 PolarHBondContact O-N 3.35Å; V61-L64 PolarHBondContact O-N 3.03Å; V61-R65 WeakPolarHBondContact O-CG 3.35Å; V61-R65 PolarHBondContact O-N 3.28Å; V61-L108 HydrophobicContact CG2-CD1 3.92Å; V61-L108 HydrophobicContact CG2-CD2 4.32Å
62S97.9Very high96.2Very high54 Ų5458.8 Ų58.838%0.37833%0.325SS..Hα-helixtrans-60.3-46.4173.5-164.30000111.9S58 H59 K60 L64 R65 D66S58-S62 WeakPolarHBondContact O-CB 3.3Å; S58-S62 PolarHBondContact O-N 2.78Å; H59-S62 WeakPolarHBondContact O-CB 3.36Å; H59-S62 PolarHBondContact O-N 2.9Å; K60-S62 VanDerWaalsContact C-N 3.32Å; S62-L64 VanDerWaalsContact C-N 3.32Å; S62-L64 PolarHBondContact O-N 3.19Å; S62-R65 WeakPolarHBondContact O-CA 3.49Å; S62-R65 WeakPolarHBondContact O-CB 3.43Å; S62-R65 PolarHBondContact O-N 2.92Å; S62-D66 VanDerWaalsContact O-CG 3.23Å; S62-D66 PolarHBondContact O-N 3.16Å
63E98Very high96.6Very high58 Ų5860.9 Ų60.927%0.27134%0.338SS..Hα-helixtrans-60.2-40.6179.8-174.5174.6-132.200112.1H59 K60 D66 L67 V100 T104H59-E63 PolarHBondContact O-N 3.33Å; K60-E63 PolarHBondContact O-N 3.42Å; E63-D66 PolarHBondContact O-N 3.26Å; E63-L67 VanDerWaalsContact O-CG 3.26Å; E63-L67 WeakPolarHBondContact O-CG 3.37Å; E63-L67 PolarHBondContact O-N 3.39Å; E63-V100 HydrophobicContact CG-CG1 4.27Å; E63-T104 HydrophobicContact CB-CG2 4.28Å; E63-T104 HydrophobicContact CG-CG2 4.48Å; E63-T104 WeakPolarHBondContact OE2-CB 3.26Å; E63-T104 VanDerWaalsContact OE2-CG2 3.24Å; E63-T104 WeakPolarHBondContact OE2-CG2 3.36Å; E63-T104 PolarHBondContact OE2-OG1 3.18Å
64L98.5Very high96.9Very high0 Ų061.4 Ų61.40%034%0.34CS..Hα-helixtrans-65.7-38.6173.6-67.1177.9000112.7L29 K60 V61 S62 L67 Y68 M81 G101 T104 L105 L108L29-L64 HydrophobicContact CD1-CD1 4.25Å; L29-L64 HydrophobicContact CD1-CD2 4.48Å; K60-L64 WeakPolarHBondContact O-CG 3.3Å; K60-L64 PolarHBondContact O-N 3.35Å; K60-L64 VanDerWaalsContact O-N 3.12Å; V61-L64 PolarHBondContact O-N 3.03Å; S62-L64 VanDerWaalsContact C-N 3.32Å; S62-L64 PolarHBondContact O-N 3.19Å; L64-L67 HydrophobicContact CD2-CD1 4.5Å; L64-Y68 PolarHBondContact O-N 3.05Å; L64-M81 HydrophobicContact CD2-SD 4.37Å; L64-G101 WeakPolarHBondContact CD2-O 3.29Å; L64-T104 HydrophobicContact CD1-CG2 4.44Å; L64-T104 HydrophobicContact CD2-CG2 4.06Å; L64-T104 HydrophobicContact CG-CG2 3.86Å; L64-L105 HydrophobicContact CD1-CB 4.23Å; L64-L105 HydrophobicContact CD1-CD1 4.11Å; L64-L105 HydrophobicContact CD2-CB 4.33Å; L64-L108 HydrophobicContact CD1-CD1 3.71Å
65R98.4Very high97.3Very high81 Ų8161.2 Ų61.231%0.30634%0.337SS..Hα-helixtrans-65-41.1175-73.8178173.6125.2-1.2111.8C33 E34 T37 V61 S62 Y68 A69C33-R65 HydrophobicContact CB-CG 4.04Å; C33-R65 PolarHBondContact O-NH2 2.91Å; E34-R65 IonicContact OE1-CZ 2.66Å; E34-R65 IonicContact OE1-NE 2.92Å; E34-R65 PolarHBondContact OE1-NE 3.38Å; E34-R65 IonicContact OE1-NH2 2.81Å; E34-R65 PolarHBondContact OE1-NH2 3.4Å; T37-R65 PolarHBondContact OG1-NH1 2.86Å; T37-R65 PolarHBondContact OG1-NH2 3.14Å; V61-R65 WeakPolarHBondContact O-CG 3.35Å; V61-R65 PolarHBondContact O-N 3.28Å; S62-R65 WeakPolarHBondContact O-CA 3.49Å; S62-R65 WeakPolarHBondContact O-CB 3.43Å; S62-R65 PolarHBondContact O-N 2.92Å; R65-Y68 PolarHBondContact O-N 3.3Å; R65-A69 WeakPolarHBondContact O-CB 3.37Å; R65-A69 PolarHBondContact O-N 2.93Å
66D98.3Very high97.5Very high100 Ų10063.8 Ų63.854%0.53534%0.341SS..Hα-helixtrans-65.8-40.8179.2-66.4-28.6000111S62 E63 A69 A70S62-D66 VanDerWaalsContact O-CG 3.23Å; S62-D66 PolarHBondContact O-N 3.16Å; E63-D66 PolarHBondContact O-N 3.26Å; D66-A69 PolarHBondContact O-N 3.43Å; D66-A70 WeakPolarHBondContact O-CB 3.28Å; D66-A70 PolarHBondContact O-N 2.86Å
67L97.9Very high97.7Very high36 Ų3660.1 Ų60.119%0.18832%0.322CS..Hα-helixtrans-61.8-45172.7-69.9168.3000111.9E63 L64 A70 D71 Y75 V100E63-L67 VanDerWaalsContact O-CG 3.26Å; E63-L67 WeakPolarHBondContact O-CG 3.37Å; E63-L67 PolarHBondContact O-N 3.39Å; L64-L67 HydrophobicContact CD2-CD1 4.5Å; L67-A70 PolarHBondContact O-N 3.22Å; L67-D71 PolarHBondContact O-N 3.4Å; L67-Y75 HydrophobicContact CB-CD1 3.72Å; L67-Y75 HydrophobicContact CB-CD2 4.29Å; L67-Y75 HydrophobicContact CB-CE1 3.75Å; L67-Y75 HydrophobicContact CB-CE2 4.31Å; L67-Y75 HydrophobicContact CB-CG 4.01Å; L67-Y75 HydrophobicContact CD1-CD1 4.4Å; L67-Y75 HydrophobicContact CD1-CE1 3.81Å; L67-Y75 HydrophobicContact CD2-CE1 4.24Å; L67-Y75 HydrophobicContact CD2-CE2 4.41Å; L67-Y75 HydrophobicContact CG-CE1 4.15Å; L67-V100 HydrophobicContact CD1-CG1 4.26Å
68Y98.2Very high97.9Very high71 Ų7159.7 Ų59.728%0.27832%0.319SS..Hα-helixtrans-63.5-40.4174.6175.8-110.9000113.1P30 L64 R65 A70 D71 K72 Y75P30-Y68 HydrophobicContact CB-CD1 4.11Å; P30-Y68 HydrophobicContact CB-CE1 3.95Å; P30-Y68 HydrophobicContact CG-CD1 4.41Å; P30-Y68 HydrophobicContact CG-CD2 4.45Å; P30-Y68 HydrophobicContact CG-CE1 4.04Å; P30-Y68 HydrophobicContact CG-CE2 4.07Å; L64-Y68 PolarHBondContact O-N 3.05Å; R65-Y68 PolarHBondContact O-N 3.3Å; Y68-A70 VanDerWaalsContact C-N 3.32Å; Y68-A70 PolarHBondContact O-N 3.44Å; Y68-D71 CarbonylContact O-C 3.09Å; Y68-D71 VanDerWaalsContact O-C 3.28Å; Y68-D71 PolarHBondContact O-N 3.02Å; Y68-K72 HydrophobicContact CD2-CB 4.48Å; Y68-K72 HydrophobicContact CE1-CG 4.42Å; Y68-K72 HydrophobicContact CE2-CB 3.94Å; Y68-K72 HydrophobicContact CE2-CG 4.12Å; Y68-K72 WeakPolarHBondContact O-CA 3.33Å; Y68-K72 WeakPolarHBondContact O-CG 3.34Å; Y68-K72 PolarHBondContact O-N 2.66Å; Y68-K72 VanDerWaalsContact O-N 3.12Å; Y68-Y75 VanDerWaalsContact CD2-O 3.26Å; Y68-Y75 WeakPolarHBondContact CD2-O 3.5Å
69A98.1Very high98Very high68 Ų6859 Ų5956%0.56231%0.308SS*.Hα-helixtrans-65.1-37.4177.800000112R65 D66R65-A69 WeakPolarHBondContact O-CB 3.37Å; R65-A69 PolarHBondContact O-N 2.93Å; D66-A69 PolarHBondContact O-N 3.43Å
70A97.6Very high98.1Very high90 Ų9056.4 Ų56.474%0.74430%0.296SS*.Hα-helixtrans-71.6-37.3177.300000112.9D66 L67 Y68D66-A70 WeakPolarHBondContact O-CB 3.28Å; D66-A70 PolarHBondContact O-N 2.86Å; L67-A70 PolarHBondContact O-N 3.22Å; Y68-A70 VanDerWaalsContact C-N 3.32Å; Y68-A70 PolarHBondContact O-N 3.44Å
71D97.6Very high98.1Very high41 Ų4155.2 Ų55.222%0.21929%0.291CS..  trans-145.488.8178.6-174.8-15.5000111.8L67 Y68 I73 N74 Y75L67-D71 PolarHBondContact O-N 3.4Å; Y68-D71 CarbonylContact O-C 3.09Å; Y68-D71 VanDerWaalsContact O-C 3.28Å; Y68-D71 PolarHBondContact O-N 3.02Å; D71-I73 PolarHBondContact O-N 3.31Å; D71-I73 VanDerWaalsContact O-N 3.15Å; D71-I73 PolarHBondContact OD1-N 3.34Å; D71-I73 VanDerWaalsContact OD1-N 3.08Å; D71-N74 PolarHBondContact OD1-N 3.36Å; D71-N74 WeakPolarHBondContact OD2-CB 3.45Å; D71-N74 PolarHBondContact OD2-ND2 3.38Å; D71-Y75 HydrophobicContact CB-CD2 4.09Å; D71-Y75 WeakPolarHBondContact O-CB 3.37Å; D71-Y75 PolarHBondContact O-N 3.36Å; D71-Y75 VanDerWaalsContact O-N 3.11Å
72K97.8Very high98Very high134 Ų13455.1 Ų55.158%0.58329%0.29SS*.THydrogen-bonded Turntrans-65.5-15.6-178.1-64.9-177-179.4-178.30114.2Y68 K76Y68-K72 HydrophobicContact CD2-CB 4.48Å; Y68-K72 HydrophobicContact CE1-CG 4.42Å; Y68-K72 HydrophobicContact CE2-CB 3.94Å; Y68-K72 HydrophobicContact CE2-CG 4.12Å; Y68-K72 WeakPolarHBondContact O-CA 3.33Å; Y68-K72 WeakPolarHBondContact O-CG 3.34Å; Y68-K72 PolarHBondContact O-N 2.66Å; Y68-K72 VanDerWaalsContact O-N 3.12Å; K72-K76 WeakPolarHBondContact O-CB 3.4Å
73I98.1Very high97.9Very high122 Ų12256.6 Ų56.663%0.62629%0.293SS*.THydrogen-bonded Turntrans-87.6-54-177.4-62.9175.5000108.9D71 Q80D71-I73 PolarHBondContact O-N 3.31Å; D71-I73 VanDerWaalsContact O-N 3.15Å; D71-I73 PolarHBondContact OD1-N 3.34Å; D71-I73 VanDerWaalsContact OD1-N 3.08Å; I73-Q80 PolarHBondContact O-NE2 3.29Å
74N97.7Very high97.9Very high49 Ų4956.8 Ų56.826%0.26229%0.292SS..THydrogen-bonded Turntrans-76.6-27.5-175.2-70.9-50.9000112.8D71 Q80 M81 Y84D71-N74 PolarHBondContact OD1-N 3.36Å; D71-N74 WeakPolarHBondContact OD2-CB 3.45Å; D71-N74 PolarHBondContact OD2-ND2 3.38Å; N74-Q80 CarbonylContact O-C 3.36Å; N74-Q80 WeakPolarHBondContact O-CB 3.45Å; N74-M81 WeakPolarHBondContact O-CA 2.93Å; N74-M81 PolarHBondContact O-N 2.94Å; N74-Y84 HydrophobicContact CB-CD1 3.86Å; N74-Y84 HydrophobicContact CB-CD2 3.7Å; N74-Y84 HydrophobicContact CB-CE1 4.37Å; N74-Y84 HydrophobicContact CB-CE2 4.22Å; N74-Y84 HydrophobicContact CB-CG 3.48Å; N74-Y84 VanDerWaalsContact CB-CG 3.48Å; N74-Y84 WeakPolarHBondContact ND2-CD2 3.28Å; N74-Y84 WeakPolarHBondContact ND2-CE2 3.38Å
75Y98.1Very high97.7Very high17 Ų1757 Ų577%0.06729%0.293CS..THydrogen-bonded Turntrans-101.521177.2-70-90.1000113.1L29 L67 Y68 D71 M81 Y84 E85L29-Y75 WeakPolarHBondContact CB-O 3.34Å; L29-Y75 HydrophobicContact CD2-CD1 4.12Å; L29-Y75 WeakPolarHBondContact CD2-O 3.32Å; L67-Y75 HydrophobicContact CB-CD1 3.72Å; L67-Y75 HydrophobicContact CB-CD2 4.29Å; L67-Y75 HydrophobicContact CB-CE1 3.75Å; L67-Y75 HydrophobicContact CB-CE2 4.31Å; L67-Y75 HydrophobicContact CB-CG 4.01Å; L67-Y75 HydrophobicContact CD1-CD1 4.4Å; L67-Y75 HydrophobicContact CD1-CE1 3.81Å; L67-Y75 HydrophobicContact CD2-CE1 4.24Å; L67-Y75 HydrophobicContact CD2-CE2 4.41Å; L67-Y75 HydrophobicContact CG-CE1 4.15Å; Y68-Y75 VanDerWaalsContact CD2-O 3.26Å; Y68-Y75 WeakPolarHBondContact CD2-O 3.5Å; D71-Y75 HydrophobicContact CB-CD2 4.09Å; D71-Y75 WeakPolarHBondContact O-CB 3.37Å; D71-Y75 PolarHBondContact O-N 3.36Å; D71-Y75 VanDerWaalsContact O-N 3.11Å; Y75-M81 HydrophobicContact CD1-CB 4.07Å; Y75-M81 HydrophobicContact CD1-CG 3.52Å; Y75-M81 HydrophobicContact CD1-SD 3.73Å; Y75-M81 HydrophobicContact CE1-CB 4.43Å; Y75-M81 HydrophobicContact CE1-CG 3.48Å; Y75-M81 VanDerWaalsContact CE1-CG 3.48Å; Y75-M81 HydrophobicContact CE1-SD 3.84Å; Y75-Y84 AromaticContact CE2-CD1 3.84Å; Y75-Y84 HydrophobicContact CE2-CD1 3.84Å; Y75-Y84 AromaticContact CE2-CE1 3.67Å; Y75-Y84 HydrophobicContact CE2-CE1 3.67Å; Y75-E85 PolarHBondContact OH-OE1 3.1Å
76K98.4Very high97.4Very high107 Ų10755.2 Ų55.247%0.46529%0.288SS..SBendtrans-67.6-41.4178.3179.7-179.9175.9-171.70112.6L28 L29 P30 K72L28-K76 HydrophobicContact CD2-CG 4.49Å; L29-K76 PolarHBondContact N-O 3.44Å; P30-K76 VanDerWaalsContact CD-O 3.26Å; P30-K76 WeakPolarHBondContact CD-O 3.43Å; K72-K76 WeakPolarHBondContact O-CB 3.4Å
77S98.6Very high97.2Very high2 Ų257.3 Ų57.31%0.01429%0.293CS..BIsolated β-bridgetrans-135.5167.3-179.378.80000111.2D26 V27 Q80 M81D26-S77 WeakPolarHBondContact OD2-CB 3.47Å; D26-S77 PolarHBondContact OD2-OG 2.92Å; V27-S77 CarbonylContact O-C 3.52Å; V27-S77 VanDerWaalsContact O-CA 3.24Å; V27-S77 WeakPolarHBondContact O-CA 3.38Å; V27-S77 WeakPolarHBondContact O-CB 3.14Å; S77-Q80 PolarHBondContact O-N 3.04Å; S77-Q80 WeakPolarHBondContact OG-CG 3.37Å; S77-Q80 PolarHBondContact OG-N 3.42Å; S77-M81 WeakPolarHBondContact O-CB 3.46Å; S77-M81 PolarHBondContact O-N 2.94Å
78V98.6Very high96.8Very high0 Ų060.3 Ų60.30%031%0.305CS..Hα-helixtrans-65.6-44.5-178.7177.20000110.9D26 V27 L29 M81 V82 L105 I216 V219 F220D26-V78 PolarHBondContact OD1-N 2.75Å; V27-V78 HydrophobicContact CB-CB 4.46Å; V27-V78 HydrophobicContact CB-CG2 3.85Å; V27-V78 HydrophobicContact CG1-CG2 4.04Å; V27-V78 WeakPolarHBondContact O-CG2 3.32Å; V27-V78 PolarHBondContact O-N 3.43Å; L29-V78 HydrophobicContact CD1-CG2 4.38Å; V78-M81 PolarHBondContact O-N 3.26Å; V78-V82 WeakPolarHBondContact O-CG2 3.25Å; V78-V82 PolarHBondContact O-N 2.82Å; V78-L105 HydrophobicContact CB-CD2 4.28Å; V78-L105 HydrophobicContact CG1-CD2 3.72Å; V78-L105 HydrophobicContact CG2-CD2 3.59Å; V78-I216 HydrophobicContact CG1-CG2 4.45Å; V78-I216 HydrophobicContact CG2-CG1 4.23Å; V78-V219 HydrophobicContact CG1-CB 4.38Å; V78-V219 HydrophobicContact CG1-CG1 4.11Å; V78-F220 HydrophobicContact CG1-CD1 4.22Å; V78-F220 HydrophobicContact CG1-CE1 3.64Å
79E98Very high96.3Very high59 Ų5957.3 Ų57.328%0.27629%0.294SS..Hα-helixtrans-63.5-43.1176.4-171.3167-146.700112.1D26 M81 V82 L83 V219 K222D26-E79 PolarHBondContact OD1-N 3.49Å; D26-E79 WeakPolarHBondContact OD2-CB 3.4Å; E79-M81 VanDerWaalsContact C-N 3.33Å; E79-M81 PolarHBondContact O-N 3.25Å; E79-V82 PolarHBondContact O-N 3.42Å; E79-L83 HydrophobicContact CG-CD1 3.98Å; E79-L83 HydrophobicContact CG-CG 4.39Å; E79-L83 WeakPolarHBondContact O-CB 3.26Å; E79-L83 VanDerWaalsContact O-CG 3.29Å; E79-L83 WeakPolarHBondContact O-CG 3.39Å; E79-L83 PolarHBondContact O-N 3.01Å; E79-V219 HydrophobicContact CB-CG1 4.29Å; E79-V219 HydrophobicContact CB-CG2 4.38Å; E79-K222 IonicContact OE1-NZ 3.84Å; E79-K222 PolarHBondContact OE1-NZ 3.2Å
80Q97.8Very high95.8Very high68 Ų6861 Ų6132%0.31830%0.3SS..Hα-helixtrans-61.6-42.1176.6-70.2-173.7-95.100112I73 N74 S77 Y84I73-Q80 PolarHBondContact O-NE2 3.29Å; N74-Q80 CarbonylContact O-C 3.36Å; N74-Q80 WeakPolarHBondContact O-CB 3.45Å; S77-Q80 PolarHBondContact O-N 3.04Å; S77-Q80 WeakPolarHBondContact OG-CG 3.37Å; S77-Q80 PolarHBondContact OG-N 3.42Å; Q80-Y84 VanDerWaalsContact O-CB 3.27Å; Q80-Y84 WeakPolarHBondContact O-CB 3.23Å; Q80-Y84 PolarHBondContact O-N 2.99Å
81M98.3Very high95.2Very high0 Ų063.2 Ų63.20%030%0.295CS..Hα-helixtrans-62.2-48.1177.9174.7-177.773.100111.1L29 L64 N74 Y75 S77 V78 E79 Y84 E85 L105L29-M81 HydrophobicContact CD2-SD 4.01Å; L64-M81 HydrophobicContact CD2-SD 4.37Å; N74-M81 WeakPolarHBondContact O-CA 2.93Å; N74-M81 PolarHBondContact O-N 2.94Å; Y75-M81 HydrophobicContact CD1-CB 4.07Å; Y75-M81 HydrophobicContact CD1-CG 3.52Å; Y75-M81 HydrophobicContact CD1-SD 3.73Å; Y75-M81 HydrophobicContact CE1-CB 4.43Å; Y75-M81 HydrophobicContact CE1-CG 3.48Å; Y75-M81 VanDerWaalsContact CE1-CG 3.48Å; Y75-M81 HydrophobicContact CE1-SD 3.84Å; S77-M81 WeakPolarHBondContact O-CB 3.46Å; S77-M81 PolarHBondContact O-N 2.94Å; V78-M81 PolarHBondContact O-N 3.26Å; E79-M81 VanDerWaalsContact C-N 3.33Å; E79-M81 PolarHBondContact O-N 3.25Å; M81-Y84 PolarHBondContact O-N 3.19Å; M81-E85 WeakPolarHBondContact O-CB 3.43Å; M81-E85 WeakPolarHBondContact O-CG 3.3Å; M81-E85 PolarHBondContact O-N 3.43Å; M81-L105 HydrophobicContact CE-CB 4.08Å; M81-L105 HydrophobicContact CE-CD2 3.58Å; M81-L105 HydrophobicContact CE-CG 4.48Å
82V96.7Very high94.5Very high0 Ų063.6 Ų63.60%030%0.297CS..Hα-helixtrans-61.5-49.5-179.5168.50000110.5V78 E79 Y84 E85 E86 V219 F220 H223 M225V78-V82 WeakPolarHBondContact O-CG2 3.25Å; V78-V82 PolarHBondContact O-N 2.82Å; E79-V82 PolarHBondContact O-N 3.42Å; V82-Y84 VanDerWaalsContact C-N 3.32Å; V82-Y84 PolarHBondContact O-N 3.16Å; V82-E85 PolarHBondContact O-N 3.48Å; V82-E86 HydrophobicContact CG1-CG 4.44Å; V82-E86 WeakPolarHBondContact O-CB 3.19Å; V82-E86 WeakPolarHBondContact O-CG 3.33Å; V82-E86 PolarHBondContact O-N 3.31Å; V82-V219 HydrophobicContact CB-CG1 4.32Å; V82-V219 HydrophobicContact CG2-CG1 4.08Å; V82-F220 HydrophobicContact CG2-CD1 4.07Å; V82-F220 HydrophobicContact CG2-CE1 3.71Å; V82-H223 HydrophobicContact CG1-CB 3.47Å; V82-H223 VanDerWaalsContact CG1-CB 3.47Å; V82-H223 VanDerWaalsContact CG1-CG 3.45Å; V82-M225 HydrophobicContact CG1-CE 4.36Å; V82-M225 HydrophobicContact CG1-CG 4.13Å
83L96.1Very high93.5Very high85 Ų8561.3 Ų61.345%0.44530%0.295SS..Hα-helixtrans-59.2-42.4178.2-73.1171.7000112.5E79 K87 H223E79-L83 HydrophobicContact CG-CD1 3.98Å; E79-L83 HydrophobicContact CG-CG 4.39Å; E79-L83 WeakPolarHBondContact O-CB 3.26Å; E79-L83 VanDerWaalsContact O-CG 3.29Å; E79-L83 WeakPolarHBondContact O-CG 3.39Å; E79-L83 PolarHBondContact O-N 3.01Å; L83-K87 WeakPolarHBondContact O-CB 3.44Å; L83-K87 PolarHBondContact O-N 3.04Å; L83-K87 VanDerWaalsContact O-N 3.11Å; L83-H223 VanDerWaalsContact CD2-CE1 3.46Å; L83-H223 WeakPolarHBondContact CD2-CE1 3.26Å
84Y96.8Very high92.2Very high62 Ų6258.6 Ų58.624%0.24328%0.284CS..Hα-helixtrans-63-51.3177171.9-108.4000111.5N74 Y75 Q80 M81 V82 E86 K87 Q88N74-Y84 HydrophobicContact CB-CD1 3.86Å; N74-Y84 HydrophobicContact CB-CD2 3.7Å; N74-Y84 HydrophobicContact CB-CE1 4.37Å; N74-Y84 HydrophobicContact CB-CE2 4.22Å; N74-Y84 HydrophobicContact CB-CG 3.48Å; N74-Y84 VanDerWaalsContact CB-CG 3.48Å; N74-Y84 WeakPolarHBondContact ND2-CD2 3.28Å; N74-Y84 WeakPolarHBondContact ND2-CE2 3.38Å; Y75-Y84 AromaticContact CE2-CD1 3.84Å; Y75-Y84 HydrophobicContact CE2-CD1 3.84Å; Y75-Y84 AromaticContact CE2-CE1 3.67Å; Y75-Y84 HydrophobicContact CE2-CE1 3.67Å; Q80-Y84 VanDerWaalsContact O-CB 3.27Å; Q80-Y84 WeakPolarHBondContact O-CB 3.23Å; Q80-Y84 PolarHBondContact O-N 2.99Å; M81-Y84 PolarHBondContact O-N 3.19Å; V82-Y84 VanDerWaalsContact C-N 3.32Å; V82-Y84 PolarHBondContact O-N 3.16Å; Y84-E86 VanDerWaalsContact C-N 3.34Å; Y84-E86 PolarHBondContact O-N 3.11Å; Y84-K87 PolarHBondContact O-N 3.48Å; Y84-Q88 HydrophobicContact CD1-CG 4.47Å; Y84-Q88 HydrophobicContact CD2-CG 4.24Å; Y84-Q88 HydrophobicContact CE1-CG 4.09Å; Y84-Q88 HydrophobicContact CE2-CG 3.85Å; Y84-Q88 VanDerWaalsContact CE2-NE2 3.34Å; Y84-Q88 WeakPolarHBondContact O-CG 3.48Å; Y84-Q88 PolarHBondContact O-N 3.16Å
85E95.6Very high91Very high4 Ų465.2 Ų65.22%0.01931%0.311CS..Hα-helixtrans-67.2-34.1-178.3-70.1-169.5155.100112.7Y75 M81 V82 Q88 N89 C99 V100 G101 S102Y75-E85 PolarHBondContact OH-OE1 3.1Å; M81-E85 WeakPolarHBondContact O-CB 3.43Å; M81-E85 WeakPolarHBondContact O-CG 3.3Å; M81-E85 PolarHBondContact O-N 3.43Å; V82-E85 PolarHBondContact O-N 3.48Å; E85-Q88 PolarHBondContact O-N 3.46Å; E85-N89 WeakPolarHBondContact O-CB 3.39Å; E85-N89 PolarHBondContact O-N 3.26Å; E85-N89 PolarHBondContact O-ND2 2.64Å; E85-C99 HydrophobicContact CB-CB 4.14Å; E85-C99 WeakPolarHBondContact OE2-CA 3.37Å; E85-C99 VanDerWaalsContact OE2-CB 3.31Å; E85-C99 WeakPolarHBondContact OE2-CB 3.3Å; E85-V100 PolarHBondContact OE1-N 2.87Å; E85-G101 WeakPolarHBondContact OE1-CA 3.31Å; E85-G101 PolarHBondContact OE1-N 3.3Å; E85-S102 WeakPolarHBondContact OE2-CB 3.4Å; E85-S102 PolarHBondContact OE2-N 3.35Å; E85-S102 PolarHBondContact OE2-OG 3.38Å
86E91.8Very high89.9Confident44 Ų4471.4 Ų71.421%0.20634%0.338CS..Hα-helixtrans-59.6-50.3170.8-79.2-165.2120.200111.9V82 Y84 Q88 N89 E90 R97 H223 M225V82-E86 HydrophobicContact CG1-CG 4.44Å; V82-E86 WeakPolarHBondContact O-CB 3.19Å; V82-E86 WeakPolarHBondContact O-CG 3.33Å; V82-E86 PolarHBondContact O-N 3.31Å; Y84-E86 VanDerWaalsContact C-N 3.34Å; Y84-E86 PolarHBondContact O-N 3.11Å; E86-Q88 VanDerWaalsContact C-N 3.33Å; E86-Q88 PolarHBondContact O-N 3.41Å; E86-N89 CarbonylContact O-C 3.56Å; E86-N89 PolarHBondContact O-N 3.24Å; E86-E90 PolarHBondContact O-N 3.41Å; E86-R97 IonicContact OE1-NH1 3.91Å; E86-H223 IonicContact OE1-ND1 3.43Å; E86-H223 IonicContact OE2-CE1 2.88Å; E86-H223 IonicContact OE2-CG 3.34Å; E86-H223 IonicContact OE2-ND1 3.5Å; E86-H223 PolarHBondContact OE2-ND1 2.76Å; E86-M225 HydrophobicContact CB-CE 4.46Å; E86-M225 HydrophobicContact CG-CE 3.1Å
87K92.9Very high88.8Confident145 Ų14568.7 Ų68.763%0.6333%0.325SS*.Hα-helixtrans-60.6-42.3179.5-173.8178.1-179.9179.60111.8L83 Y84 N89 E90L83-K87 WeakPolarHBondContact O-CB 3.44Å; L83-K87 PolarHBondContact O-N 3.04Å; L83-K87 VanDerWaalsContact O-N 3.11Å; Y84-K87 PolarHBondContact O-N 3.48Å; K87-N89 PolarHBondContact O-N 2.74Å; K87-E90 WeakPolarHBondContact O-CG 3.26Å; K87-E90 PolarHBondContact O-N 2.97Å
88Q90.8Very high88.1Confident98 Ų9876.1 Ų76.146%0.45836%0.357SS..Hα-helixtrans-62.9-23.6176.4-67.8-58.4-35.700113.1Y84 E85 E86 H91Y84-Q88 HydrophobicContact CD1-CG 4.47Å; Y84-Q88 HydrophobicContact CD2-CG 4.24Å; Y84-Q88 HydrophobicContact CE1-CG 4.09Å; Y84-Q88 HydrophobicContact CE2-CG 3.85Å; Y84-Q88 VanDerWaalsContact CE2-NE2 3.34Å; Y84-Q88 WeakPolarHBondContact O-CG 3.48Å; Y84-Q88 PolarHBondContact O-N 3.16Å; E85-Q88 PolarHBondContact O-N 3.46Å; E86-Q88 VanDerWaalsContact C-N 3.33Å; E86-Q88 PolarHBondContact O-N 3.41Å; Q88-H91 PolarHBondContact O-CE1 3.46Å
89N87.6Confident87.6Confident9 Ų976.1 Ų76.15%0.04836%0.357CS..THydrogen-bonded Turntrans-116.114.1-174.1-68-80.9000113.5E85 E86 K87 H91 L92 R97 K98E85-N89 WeakPolarHBondContact O-CB 3.39Å; E85-N89 PolarHBondContact O-N 3.26Å; E85-N89 PolarHBondContact O-ND2 2.64Å; E86-N89 CarbonylContact O-C 3.56Å; E86-N89 PolarHBondContact O-N 3.24Å; K87-N89 PolarHBondContact O-N 2.74Å; N89-H91 PolarHBondContact O-N 2.83Å; N89-H91 VanDerWaalsContact O-N 3.13Å; N89-L92 PolarHBondContact O-N 3.1Å; N89-R97 HydrophobicContact CB-CB 3.69Å; N89-R97 HydrophobicContact CB-CG 3.67Å; N89-R97 WeakPolarHBondContact OD1-CA 3.33Å; N89-K98 PolarHBondContact ND2-O 3.01Å; N89-K98 PolarHBondContact OD1-N 3.49Å
90E86.2Confident87.4Confident144 Ų14475.8 Ų75.867%0.67336%0.359SS*.THydrogen-bonded Turntrans-58.5-30.1-175.268.1-174.8-179.900112.9E86 K87 L92E86-E90 PolarHBondContact O-N 3.41Å; K87-E90 WeakPolarHBondContact O-CG 3.26Å; K87-E90 PolarHBondContact O-N 2.97Å; E90-L92 VanDerWaalsContact C-N 3.34Å
91H86.1Confident87.4Confident138 Ų13872.6 Ų72.664%0.63934%0.344SS*.THydrogen-bonded Turntrans-85.3-2.3-179.861.7-83.7000113.9Q88 N89Q88-H91 PolarHBondContact O-CE1 3.46Å; N89-H91 PolarHBondContact O-N 2.83Å; N89-H91 VanDerWaalsContact O-N 3.13Å
92L83Confident87.3Confident49 Ų4972.6 Ų72.626%0.25734%0.344SS..SBendtrans-109.5139.6-177-62.8176.5000111.5N89 E90 K96 R97N89-L92 PolarHBondContact O-N 3.1Å; E90-L92 VanDerWaalsContact C-N 3.34Å; L92-K96 HydrophobicContact CB-CB 4.4Å; L92-R97 HydrophobicContact CB-CG 4.32Å
93P77.1Confident87.2Confident85 Ų8576.4 Ų76.455%0.55236%0.358SS*.  trans-53.8143.7165.9-22.431.9000110.5K95 K96 R97P93-K95 PolarHBondContact O-N 2.81Å; P93-K96 WeakPolarHBondContact O-CA 3.49Å; P93-K96 PolarHBondContact O-N 2.75Å; P93-R97 PolarHBondContact O-N 2.78Å
94V69.5Low87.3Confident65 Ų6573 Ų7339%0.39434%0.34SS..G310 helixtrans-45.2-44.7-176.1177.50000112.8K96 R97V94-K96 PolarHBondContact O-N 3.32Å; V94-K96 VanDerWaalsContact O-N 3.11Å; V94-R97 PolarHBondContact O-N 3.33Å
95K72.3Confident87.4Confident189 Ų18970 Ų7082%0.82233%0.329SS*.G310 helixtrans-63.4-16.6179.7-64.4-175.5178-179.40115.1P93P93-K95 PolarHBondContact O-N 2.81Å
96K75.4Confident87.5Confident146 Ų14669.9 Ų69.964%0.63533%0.328SS*.G310 helixtrans-109-4.4-179.4-66.1-173177.8-178.10113L92 P93 V94 K98L92-K96 HydrophobicContact CB-CB 4.4Å; P93-K96 WeakPolarHBondContact O-CA 3.49Å; P93-K96 PolarHBondContact O-N 2.75Å; V94-K96 PolarHBondContact O-N 3.32Å; V94-K96 VanDerWaalsContact O-N 3.11Å; K96-K98 PolarHBondContact O-N 3.46Å
97R76.6Confident87.7Confident51 Ų5171 Ų7119%0.19233%0.331CS..  trans-63.9129.8180-60.6-171.9172.4174.1-4.8110.2E86 N89 L92 P93 V94 C99E86-R97 IonicContact OE1-NH1 3.91Å; N89-R97 HydrophobicContact CB-CB 3.69Å; N89-R97 HydrophobicContact CB-CG 3.67Å; N89-R97 WeakPolarHBondContact OD1-CA 3.33Å; L92-R97 HydrophobicContact CB-CG 4.32Å; P93-R97 PolarHBondContact O-N 2.78Å; V94-R97 PolarHBondContact O-N 3.33Å; R97-C99 VanDerWaalsContact C-N 3.28Å; R97-C99 PolarHBondContact O-N 3.41Å
98K83.1Confident88Confident157 Ų15764.2 Ų64.268%0.68330%0.301SS*.  trans-88.563.8172.8-65.1-176.2179.5-179.70109.9N89 K96 V100N89-K98 PolarHBondContact ND2-O 3.01Å; N89-K98 PolarHBondContact OD1-N 3.49Å; K96-K98 PolarHBondContact O-N 3.46Å; K98-V100 VanDerWaalsContact C-N 3.28Å; K98-V100 PolarHBondContact O-N 3.44Å; K98-V100 VanDerWaalsContact O-N 3.15Å
99C88.5Confident88.3Confident0 Ų059.6 Ų59.60%028%0.28CS..  trans-85.668.8173.7-54.40000109.6E85 R97 R103 L228E85-C99 HydrophobicContact CB-CB 4.14Å; E85-C99 WeakPolarHBondContact OE2-CA 3.37Å; E85-C99 VanDerWaalsContact OE2-CB 3.31Å; E85-C99 WeakPolarHBondContact OE2-CB 3.3Å; R97-C99 VanDerWaalsContact C-N 3.28Å; R97-C99 PolarHBondContact O-N 3.41Å; C99-R103 WeakPolarHBondContact O-CB 3.42Å; C99-R103 WeakPolarHBondContact O-CD 3.44Å; C99-R103 WeakPolarHBondContact O-CG 3.31Å; C99-R103 PolarHBondContact O-N 2.98Å; C99-L228 HydrophobicContact CB-CD1 4.32Å; C99-L228 HydrophobicContact CB-CD2 4.22Å
100V92.9Very high88.8Confident53 Ų5360.8 Ų60.832%0.32128%0.284SS..Hα-helixtrans-59.5-52.3-169.9179.60000111E63 L67 E85 K98 R103 T104E63-V100 HydrophobicContact CG-CG1 4.27Å; L67-V100 HydrophobicContact CD1-CG1 4.26Å; E85-V100 PolarHBondContact OE1-N 2.87Å; K98-V100 VanDerWaalsContact C-N 3.28Å; K98-V100 PolarHBondContact O-N 3.44Å; K98-V100 VanDerWaalsContact O-N 3.15Å; V100-R103 PolarHBondContact O-N 2.95Å; V100-T104 VanDerWaalsContact O-CB 3.3Å; V100-T104 WeakPolarHBondContact O-CB 3.49Å; V100-T104 PolarHBondContact O-N 3.35Å; V100-T104 PolarHBondContact O-OG1 3.34Å
101G97.2Very high89.3Confident0 Ų055 Ų550%026%0.26CS..Hα-helixtrans-62.7-47.7179.400000112.5L64 E85 R103 T104 L105L64-G101 WeakPolarHBondContact CD2-O 3.29Å; E85-G101 WeakPolarHBondContact OE1-CA 3.31Å; E85-G101 PolarHBondContact OE1-N 3.3Å; G101-R103 VanDerWaalsContact C-N 3.33Å; G101-R103 PolarHBondContact O-N 2.95Å; G101-T104 PolarHBondContact O-N 3.12Å; G101-L105 VanDerWaalsContact O-CB 3.32Å; G101-L105 WeakPolarHBondContact O-CB 3.26Å; G101-L105 PolarHBondContact O-N 3.13Å
102S97Very high89.8Confident0 Ų048.4 Ų48.40%023%0.23CC..Hα-helixtrans-63-41.2179.1-52.10000111.5E85 L106E85-S102 WeakPolarHBondContact OE2-CB 3.4Å; E85-S102 PolarHBondContact OE2-N 3.35Å; E85-S102 PolarHBondContact OE2-OG 3.38Å; S102-L106 WeakPolarHBondContact O-CB 3.37Å; S102-L106 PolarHBondContact O-N 3.49Å
103R95.8Very high90.4Very high81 Ų8147.7 Ų47.731%0.30623%0.226SC..Hα-helixtrans-61.6-47.6175-77.2170.778.2-155.7-1.7110.7C99 V100 G101 L106 R107 L228 P229C99-R103 WeakPolarHBondContact O-CB 3.42Å; C99-R103 WeakPolarHBondContact O-CD 3.44Å; C99-R103 WeakPolarHBondContact O-CG 3.31Å; C99-R103 PolarHBondContact O-N 2.98Å; V100-R103 PolarHBondContact O-N 2.95Å; G101-R103 VanDerWaalsContact C-N 3.33Å; G101-R103 PolarHBondContact O-N 2.95Å; R103-L106 WeakPolarHBondContact O-CB 3.24Å; R103-L106 PolarHBondContact O-N 3.19Å; R103-R107 VanDerWaalsContact CA-NH1 3.33Å; R103-R107 VanDerWaalsContact CB-NH1 3.29Å; R103-R107 WeakPolarHBondContact O-CD 3.37Å; R103-R107 PolarHBondContact O-NH1 3.45Å; R103-L228 HydrophobicContact CG-CB 3.83Å; R103-L228 HydrophobicContact CG-CD1 3.97Å; R103-L228 HydrophobicContact CG-CD2 4.36Å; R103-L228 HydrophobicContact CG-CG 4.3Å; R103-P229 PolarHBondContact NE-O 3.03Å; R103-P229 PolarHBondContact NH2-O 3.13Å; R103-P229 VanDerWaalsContact NH2-O 3.12Å
104T97.5Very high91.3Very high12 Ų1245.4 Ų45.47%0.07421%0.208CC..Hα-helixtrans-66-46.3-177.8-68.10000111.4K60 E63 L64 V100 G101 L106 R107 L108K60-T104 HydrophobicContact CB-CG2 3.6Å; K60-T104 HydrophobicContact CD-CG2 4.36Å; K60-T104 HydrophobicContact CG-CG2 3.85Å; K60-T104 VanDerWaalsContact O-CG2 3.31Å; K60-T104 WeakPolarHBondContact O-CG2 3.36Å; E63-T104 HydrophobicContact CB-CG2 4.28Å; E63-T104 HydrophobicContact CG-CG2 4.48Å; E63-T104 WeakPolarHBondContact OE2-CB 3.26Å; E63-T104 VanDerWaalsContact OE2-CG2 3.24Å; E63-T104 WeakPolarHBondContact OE2-CG2 3.36Å; E63-T104 PolarHBondContact OE2-OG1 3.18Å; L64-T104 HydrophobicContact CD1-CG2 4.44Å; L64-T104 HydrophobicContact CD2-CG2 4.06Å; L64-T104 HydrophobicContact CG-CG2 3.86Å; V100-T104 VanDerWaalsContact O-CB 3.3Å; V100-T104 WeakPolarHBondContact O-CB 3.49Å; V100-T104 PolarHBondContact O-N 3.35Å; V100-T104 PolarHBondContact O-OG1 3.34Å; G101-T104 PolarHBondContact O-N 3.12Å; T104-L106 VanDerWaalsContact C-N 3.31Å; T104-L106 PolarHBondContact O-N 3.4Å; T104-R107 PolarHBondContact O-N 3.39Å; T104-L108 PolarHBondContact O-N 2.66Å
105L98.4Very high92.5Very high0 Ų043.4 Ų43.40%020%0.195CC..Hα-helixtrans-60.7-38.4174.3-178.560.8000111.9L29 Y32 L64 V78 M81 G101 R107 L108 H109 I216 F220L29-L105 HydrophobicContact CD1-CD2 4.26Å; Y32-L105 HydrophobicContact CD1-CD1 3.78Å; Y32-L105 HydrophobicContact CE1-CD1 3.23Å; Y32-L105 HydrophobicContact CE2-CD1 4.46Å; L64-L105 HydrophobicContact CD1-CB 4.23Å; L64-L105 HydrophobicContact CD1-CD1 4.11Å; L64-L105 HydrophobicContact CD2-CB 4.33Å; V78-L105 HydrophobicContact CB-CD2 4.28Å; V78-L105 HydrophobicContact CG1-CD2 3.72Å; V78-L105 HydrophobicContact CG2-CD2 3.59Å; M81-L105 HydrophobicContact CE-CB 4.08Å; M81-L105 HydrophobicContact CE-CD2 3.58Å; M81-L105 HydrophobicContact CE-CG 4.48Å; G101-L105 VanDerWaalsContact O-CB 3.32Å; G101-L105 WeakPolarHBondContact O-CB 3.26Å; G101-L105 PolarHBondContact O-N 3.13Å; L105-R107 VanDerWaalsContact C-N 3.26Å; L105-R107 PolarHBondContact O-N 2.88Å; L105-L108 PolarHBondContact O-N 3.43Å; L105-L108 VanDerWaalsContact O-N 3.16Å; L105-H109 VanDerWaalsContact O-CB 3.28Å; L105-H109 WeakPolarHBondContact O-CB 3.5Å; L105-H109 PolarHBondContact O-N 3.42Å; L105-I216 HydrophobicContact CD1-CD1 4.44Å; L105-I216 HydrophobicContact CD2-CG2 4.33Å; L105-F220 HydrophobicContact CB-CZ 4.09Å; L105-F220 HydrophobicContact CD2-CE1 4.03Å; L105-F220 HydrophobicContact CD2-CZ 3.78Å; L105-F220 HydrophobicContact CG-CZ 3.94Å
106L97.6Very high93.6Very high1 Ų134.5 Ų34.51%0.00516%0.157CC..Hα-helixtrans-56-38.9178.2-175.551000113.2S102 R103 T104 R110 F220 M225 L228S102-L106 WeakPolarHBondContact O-CB 3.37Å; S102-L106 PolarHBondContact O-N 3.49Å; R103-L106 WeakPolarHBondContact O-CB 3.24Å; R103-L106 PolarHBondContact O-N 3.19Å; T104-L106 VanDerWaalsContact C-N 3.31Å; T104-L106 PolarHBondContact O-N 3.4Å; L106-R110 HydrophobicContact CD1-CG 4.39Å; L106-R110 VanDerWaalsContact O-CG 3.3Å; L106-R110 WeakPolarHBondContact O-CG 3.38Å; L106-R110 PolarHBondContact O-N 3.11Å; L106-F220 HydrophobicContact CB-CD2 4.44Å; L106-F220 HydrophobicContact CB-CE2 3.79Å; L106-F220 HydrophobicContact CD1-CD2 3.81Å; L106-F220 HydrophobicContact CD1-CE2 3.99Å; L106-F220 HydrophobicContact CG-CE2 4.41Å; L106-M225 WeakPolarHBondContact CD2-O 3.4Å; L106-L228 HydrophobicContact CD2-CB 3.88Å
107R97Very high94.6Very high67 Ų6729.4 Ų29.425%0.25314%0.136SC..Hα-helixtrans-71.2-42.9179.4-75.778.3168.6158.32.7111.1K60 R103 T104 L105 H109 R110 A111 P229K60-R107 HydrophobicContact CD-CB 3.78Å; K60-R107 VanDerWaalsContact CE-CB 3.5Å; R103-R107 VanDerWaalsContact CA-NH1 3.33Å; R103-R107 VanDerWaalsContact CB-NH1 3.29Å; R103-R107 WeakPolarHBondContact O-CD 3.37Å; R103-R107 PolarHBondContact O-NH1 3.45Å; T104-R107 PolarHBondContact O-N 3.39Å; L105-R107 VanDerWaalsContact C-N 3.26Å; L105-R107 PolarHBondContact O-N 2.88Å; R107-H109 VanDerWaalsContact C-N 3.34Å; R107-R110 PolarHBondContact O-N 2.94Å; R107-A111 WeakPolarHBondContact O-CB 3.18Å; R107-A111 PolarHBondContact O-N 2.91Å; R107-P229 VanDerWaalsContact CZ-O 3.32Å; R107-P229 PolarHBondContact NH1-O 2.97Å; R107-P229 VanDerWaalsContact NH1-O 3.08Å; R107-P229 PolarHBondContact NH2-O 3.34Å; R107-P229 PolarHBondContact NH2-OXT 2.78Å
108L97.9Very high95.3Very high3 Ų327.6 Ų27.62%0.01613%0.13CC..Hα-helixtrans-62.2-43.7174.4-66.6177.3000110.8Y32 Y36 V57 K60 V61 L64 T104 L105 R110 A111 L112Y32-L108 HydrophobicContact CE1-CB 4.41Å; Y32-L108 HydrophobicContact CE1-CD1 4.38Å; Y36-L108 HydrophobicContact CD1-CD2 4.14Å; Y36-L108 HydrophobicContact CD2-CB 4.27Å; Y36-L108 HydrophobicContact CE1-CD2 3.71Å; Y36-L108 HydrophobicContact CE2-CB 3.73Å; Y36-L108 HydrophobicContact CE2-CD2 4.3Å; Y36-L108 WeakPolarHBondContact CE2-O 3.35Å; Y36-L108 PolarHBondContact OH-O 2.94Å; V57-L108 HydrophobicContact CG1-CD2 4.16Å; V57-L108 HydrophobicContact CG2-CD2 4.5Å; K60-L108 HydrophobicContact CB-CD1 3.98Å; K60-L108 HydrophobicContact CB-CD2 3.94Å; K60-L108 HydrophobicContact CB-CG 3.95Å; K60-L108 HydrophobicContact CD-CD2 4.31Å; K60-L108 HydrophobicContact CD-CG 4.25Å; V61-L108 HydrophobicContact CG2-CD1 3.92Å; V61-L108 HydrophobicContact CG2-CD2 4.32Å; L64-L108 HydrophobicContact CD1-CD1 3.71Å; T104-L108 PolarHBondContact O-N 2.66Å; L105-L108 PolarHBondContact O-N 3.43Å; L105-L108 VanDerWaalsContact O-N 3.16Å; L108-R110 PolarHBondContact O-N 3.34Å; L108-A111 CarbonylContact O-C 3.28Å; L108-A111 PolarHBondContact O-N 3.5Å; L108-A111 VanDerWaalsContact O-N 3.15Å; L108-L112 WeakPolarHBondContact O-CB 3.28Å; L108-L112 PolarHBondContact O-N 3.49Å
109H97.8Very high95.7Very high2 Ų220.5 Ų20.51%0.00910%0.1CC..Hα-helixtrans-56.6-48.4176.3174.363.2000112.4L105 R107 A111 L112 L113 Y213 I216 Q217L105-H109 VanDerWaalsContact O-CB 3.28Å; L105-H109 WeakPolarHBondContact O-CB 3.5Å; L105-H109 PolarHBondContact O-N 3.42Å; R107-H109 VanDerWaalsContact C-N 3.34Å; H109-A111 VanDerWaalsContact C-N 3.32Å; H109-A111 PolarHBondContact O-N 2.94Å; H109-L112 WeakPolarHBondContact O-CB 3.26Å; H109-L112 PolarHBondContact O-N 2.89Å; H109-L113 PolarHBondContact O-N 3.4Å; H109-Y213 AromaticContact CE1-CD2 3.17Å; H109-Y213 WeakPolarHBondContact CE1-CD2 3.26Å; H109-Y213 AromaticContact CE1-CE2 3.01Å; H109-Y213 WeakPolarHBondContact CE1-CE2 3.43Å; H109-Y213 AromaticContact CE1-CG 3.75Å; H109-Y213 AromaticContact CE1-CZ 3.51Å; H109-Y213 PolarHBondContact CE1-O 2.87Å; H109-Y213 VanDerWaalsContact CE1-O 3.26Å; H109-Y213 AromaticContact ND1-CD2 3.36Å; H109-Y213 WeakPolarHBondContact ND1-CD2 3.47Å; H109-Y213 AromaticContact ND1-CE2 3.47Å; H109-Y213 WeakPolarHBondContact ND1-CE2 3.28Å; H109-Y213 AromaticContact NE2-CE2 3.39Å; H109-Y213 WeakPolarHBondContact NE2-CE2 3.49Å; H109-Y213 AromaticContact NE2-CZ 3.63Å; H109-Y213 WeakPolarHBondContact O-CE2 3.44Å; H109-I216 HydrophobicContact CB-CG2 4.2Å; H109-Q217 PolarHBondContact NE2-OE1 2.91Å
110R97.4Very high95.9Very high34 Ų3423.7 Ų23.713%0.12812%0.115CC..Hα-helixtrans-62.5-38.5175.6-71.5165.7175.2174.51.5112.3L106 R107 L108 L113 L152 Y155 L226L106-R110 HydrophobicContact CD1-CG 4.39Å; L106-R110 VanDerWaalsContact O-CG 3.3Å; L106-R110 WeakPolarHBondContact O-CG 3.38Å; L106-R110 PolarHBondContact O-N 3.11Å; R107-R110 PolarHBondContact O-N 2.94Å; L108-R110 PolarHBondContact O-N 3.34Å; R110-L113 WeakPolarHBondContact O-CB 3.32Å; R110-L152 HydrophobicContact CB-CD2 3.92Å; R110-Y155 HydrophobicContact CB-CD2 4.36Å; R110-Y155 HydrophobicContact CB-CE2 4.38Å; R110-Y155 HydrophobicContact CG-CD2 4.08Å; R110-Y155 HydrophobicContact CG-CE2 3.82Å; R110-Y155 VanDerWaalsContact CZ-CE1 3.42Å; R110-L226 PolarHBondContact NH2-O 3.4Å
111A96.3Very high95.7Very high22 Ų2223.5 Ų23.518%0.18211%0.11CC..Hα-helixtrans-72.8-31.4177.200000112.8Y36 R107 L108 H109 L113 F114 V115 L152Y36-A111 VanDerWaalsContact OH-CB 3.3Å; Y36-A111 WeakPolarHBondContact OH-CB 3.48Å; R107-A111 WeakPolarHBondContact O-CB 3.18Å; R107-A111 PolarHBondContact O-N 2.91Å; L108-A111 CarbonylContact O-C 3.28Å; L108-A111 PolarHBondContact O-N 3.5Å; L108-A111 VanDerWaalsContact O-N 3.15Å; H109-A111 VanDerWaalsContact C-N 3.32Å; H109-A111 PolarHBondContact O-N 2.94Å; A111-L113 VanDerWaalsContact C-N 3.29Å; A111-L113 PolarHBondContact O-N 2.96Å; A111-F114 WeakPolarHBondContact O-CB 3.28Å; A111-F114 PolarHBondContact O-N 3.31Å; A111-V115 PolarHBondContact O-N 2.91Å; A111-V115 VanDerWaalsContact O-N 3.11Å; A111-L152 HydrophobicContact CB-CD2 4.38Å
112L97.1Very high95.2Very high0 Ų023.8 Ų23.80%011%0.112CC..Hα-helixtrans-60.5-41173.6-173.860.4000111.2F18 Y32 Y36 L108 H109 F114 V115 I116 M209F18-L112 HydrophobicContact CE1-CD1 3.95Å; F18-L112 HydrophobicContact CE1-CD2 4.05Å; F18-L112 HydrophobicContact CZ-CD1 3.75Å; Y32-L112 HydrophobicContact CE2-CD2 4.18Å; Y36-L112 HydrophobicContact CE2-CB 3.98Å; Y36-L112 HydrophobicContact CE2-CD1 4.33Å; Y36-L112 PolarHBondContact OH-N 3.39Å; L108-L112 WeakPolarHBondContact O-CB 3.28Å; L108-L112 PolarHBondContact O-N 3.49Å; H109-L112 WeakPolarHBondContact O-CB 3.26Å; H109-L112 PolarHBondContact O-N 2.89Å; L112-F114 VanDerWaalsContact C-N 3.32Å; L112-F114 PolarHBondContact O-N 3.15Å; L112-V115 PolarHBondContact O-N 3.32Å; L112-V115 VanDerWaalsContact O-N 3.13Å; L112-I116 HydrophobicContact CD1-CD1 4.45Å; L112-I116 HydrophobicContact CD1-CG1 4.45Å; L112-I116 HydrophobicContact CD2-CD1 4.49Å; L112-I116 HydrophobicContact CG-CD1 3.91Å; L112-I116 HydrophobicContact CG-CG1 4.37Å; L112-I116 VanDerWaalsContact O-CG1 3.31Å; L112-I116 WeakPolarHBondContact O-CG1 3.3Å; L112-I116 PolarHBondContact O-N 3.5Å; L112-M209 HydrophobicContact CD1-CE 3.69Å
113L96.9Very high94.7Very high34 Ų3424 Ų2418%0.17811%0.113CC..Hα-helixtrans-56.2-47.4174.9-179.958.5000111.6H109 R110 A111 V115 I116 D117 T151 Y213H109-L113 PolarHBondContact O-N 3.4Å; R110-L113 WeakPolarHBondContact O-CB 3.32Å; A111-L113 VanDerWaalsContact C-N 3.29Å; A111-L113 PolarHBondContact O-N 2.96Å; L113-V115 VanDerWaalsContact C-N 3.3Å; L113-V115 PolarHBondContact O-N 2.93Å; L113-I116 PolarHBondContact O-N 2.99Å; L113-D117 WeakPolarHBondContact O-CB 3.35Å; L113-D117 PolarHBondContact O-N 3.43Å; L113-T151 HydrophobicContact CD2-CG2 3.94Å; L113-T151 HydrophobicContact CG-CG2 3.81Å; L113-Y213 HydrophobicContact CB-CD2 4.19Å; L113-Y213 HydrophobicContact CB-CE2 3.58Å; L113-Y213 HydrophobicContact CD1-CE1 4.34Å; L113-Y213 HydrophobicContact CD1-CE2 4.35Å; L113-Y213 HydrophobicContact CD2-CE2 4.45Å; L113-Y213 HydrophobicContact CG-CE2 4.34Å
114F95.8Very high93.8Very high37 Ų3724.5 Ų24.516%0.16212%0.115CC..Hα-helixtrans-56.7-44.5175.9167.2-94.9000111.7A111 L112 L118 V147 L152A111-F114 WeakPolarHBondContact O-CB 3.28Å; A111-F114 PolarHBondContact O-N 3.31Å; L112-F114 VanDerWaalsContact C-N 3.32Å; L112-F114 PolarHBondContact O-N 3.15Å; F114-L118 HydrophobicContact CE1-CD2 3.98Å; F114-L118 HydrophobicContact CZ-CD2 3.78Å; F114-L118 WeakPolarHBondContact O-CB 3.11Å; F114-L118 PolarHBondContact O-N 2.99Å; F114-V147 HydrophobicContact CD2-CB 4.23Å; F114-V147 HydrophobicContact CD2-CG1 3.69Å; F114-V147 HydrophobicContact CE2-CB 4.23Å; F114-V147 HydrophobicContact CE2-CG1 4.14Å; F114-V147 HydrophobicContact CG-CG1 4.45Å; F114-L152 HydrophobicContact CB-CD1 3.61Å; F114-L152 HydrophobicContact CB-CG 4.01Å; F114-L152 HydrophobicContact CD1-CD1 4.3Å; F114-L152 HydrophobicContact CD2-CD1 4.27Å; F114-L152 HydrophobicContact CG-CD1 3.8Å
115V94.6Very high92.3Very high23 Ų2325.9 Ų25.914%0.13912%0.122CC..Hα-helixtrans-64.3-46.5179.1175.70000111.5V39 A111 L112 L113 L118 M119 M209V39-V115 HydrophobicContact CG2-CG1 3.76Å; A111-V115 PolarHBondContact O-N 2.91Å; A111-V115 VanDerWaalsContact O-N 3.11Å; L112-V115 PolarHBondContact O-N 3.32Å; L112-V115 VanDerWaalsContact O-N 3.13Å; L113-V115 VanDerWaalsContact C-N 3.3Å; L113-V115 PolarHBondContact O-N 2.93Å; V115-L118 PolarHBondContact O-N 2.86Å; V115-M119 WeakPolarHBondContact O-CB 3.39Å; V115-M119 VanDerWaalsContact O-CG 3.3Å; V115-M119 WeakPolarHBondContact O-CG 3.42Å; V115-M119 PolarHBondContact O-N 3.35Å; V115-M209 HydrophobicContact CG1-CE 4.15Å
116I95.9Very high90.5Very high1 Ų128.7 Ų28.71%0.00513%0.134CC..Hα-helixtrans-60.8-49179.4-63.1164.3000110L112 L113 M119 Q120 L206 M209L112-I116 HydrophobicContact CD1-CD1 4.45Å; L112-I116 HydrophobicContact CD1-CG1 4.45Å; L112-I116 HydrophobicContact CD2-CD1 4.49Å; L112-I116 HydrophobicContact CG-CD1 3.91Å; L112-I116 HydrophobicContact CG-CG1 4.37Å; L112-I116 VanDerWaalsContact O-CG1 3.31Å; L112-I116 WeakPolarHBondContact O-CG1 3.3Å; L112-I116 PolarHBondContact O-N 3.5Å; L113-I116 PolarHBondContact O-N 2.99Å; I116-M119 PolarHBondContact O-N 3.43Å; I116-Q120 WeakPolarHBondContact O-CB 3.38Å; I116-Q120 PolarHBondContact O-N 3.13Å; I116-L206 HydrophobicContact CG2-CD2 4.19Å; I116-M209 HydrophobicContact CD1-CB 3.91Å; I116-M209 HydrophobicContact CG1-CB 3.87Å; I116-M209 HydrophobicContact CG1-CE 3.85Å
117D94.8Very high88.4Confident39 Ų3934.6 Ų34.621%0.20917%0.165CC..Hα-helixtrans-66.8-41.5-176.9-73.27000111.3L113 Q120 E121 V147 R210L113-D117 WeakPolarHBondContact O-CB 3.35Å; L113-D117 PolarHBondContact O-N 3.43Å; D117-Q120 PolarHBondContact O-N 3.42Å; D117-E121 WeakPolarHBondContact O-CG 3.34Å; D117-E121 PolarHBondContact O-N 3.41Å; D117-V147 HydrophobicContact CB-CG1 3.49Å; D117-V147 VanDerWaalsContact CB-CG1 3.49Å; D117-V147 HydrophobicContact CB-CG2 4.45Å; D117-R210 IonicContact OD1-CZ 3.54Å; D117-R210 IonicContact OD1-NH1 3.46Å; D117-R210 IonicContact OD1-NH2 2.75Å; D117-R210 PolarHBondContact OD1-NH2 3.22Å
118L92.4Very high86.2Confident13 Ų1338 Ų387%0.06818%0.182CC..Hα-helixtrans-61.8-46.4176.5178.458.1000111.6F114 V115 Q120 E121 I122 L140 M143 A144 V147F114-L118 HydrophobicContact CE1-CD2 3.98Å; F114-L118 HydrophobicContact CZ-CD2 3.78Å; F114-L118 WeakPolarHBondContact O-CB 3.11Å; F114-L118 PolarHBondContact O-N 2.99Å; V115-L118 PolarHBondContact O-N 2.86Å; L118-Q120 VanDerWaalsContact C-N 3.28Å; L118-Q120 PolarHBondContact O-N 3.27Å; L118-E121 PolarHBondContact O-N 3.11Å; L118-I122 HydrophobicContact CD1-CD1 4.09Å; L118-I122 HydrophobicContact CD1-CG1 4.36Å; L118-I122 HydrophobicContact CG-CD1 3.91Å; L118-I122 WeakPolarHBondContact O-CD1 3.5Å; L118-I122 VanDerWaalsContact O-CG1 3.26Å; L118-I122 WeakPolarHBondContact O-CG1 3.21Å; L118-I122 PolarHBondContact O-N 3.2Å; L118-L140 HydrophobicContact CD1-CD1 4.13Å; L118-M143 HydrophobicContact CD1-CB 4.23Å; L118-A144 HydrophobicContact CD1-CB 4.11Å; L118-A144 HydrophobicContact CD2-CB 4.41Å; L118-V147 HydrophobicContact CB-CG1 4.41Å
119M91.3Very high84Confident9 Ų940.5 Ų40.54%0.04420%0.2CC..Hα-helixtrans-63-37.3176.6-74.6-63.7-175.100112.3L9 L42 V115 I116 I122 C123 I181 L206L9-M119 HydrophobicContact CD2-CE 4.27Å; L42-M119 HydrophobicContact CD2-CE 3.12Å; L42-M119 HydrophobicContact CG-CE 4.44Å; V115-M119 WeakPolarHBondContact O-CB 3.39Å; V115-M119 VanDerWaalsContact O-CG 3.3Å; V115-M119 WeakPolarHBondContact O-CG 3.42Å; V115-M119 PolarHBondContact O-N 3.35Å; I116-M119 PolarHBondContact O-N 3.43Å; M119-I122 PolarHBondContact O-N 3.42Å; M119-I122 HydrophobicContact SD-CD1 4.31Å; M119-C123 WeakPolarHBondContact O-CB 3.4Å; M119-C123 PolarHBondContact O-N 3.29Å; M119-C123 PolarHBondContact O-SG 3.23Å; M119-I181 HydrophobicContact CE-CD1 4.35Å; M119-L206 HydrophobicContact CB-CD1 4.24Å; M119-L206 HydrophobicContact CB-CD2 3.62Å; M119-L206 HydrophobicContact CG-CD2 4.46Å
120Q91.5Very high81.8Confident66 Ų6650.1 Ų50.131%0.30824%0.242SC..Hα-helixtrans-64.5-44.4175.7-169.7173.5-300111.5I116 D117 L118 C123 R124 L206I116-Q120 WeakPolarHBondContact O-CB 3.38Å; I116-Q120 PolarHBondContact O-N 3.13Å; D117-Q120 PolarHBondContact O-N 3.42Å; L118-Q120 VanDerWaalsContact C-N 3.28Å; L118-Q120 PolarHBondContact O-N 3.27Å; Q120-C123 PolarHBondContact O-N 2.78Å; Q120-R124 VanDerWaalsContact CD-NH2 3.34Å; Q120-R124 WeakPolarHBondContact O-CG 3.44Å; Q120-R124 PolarHBondContact O-N 2.93Å; Q120-L206 HydrophobicContact CB-CD1 4.21Å
121E88.9Confident79.4Confident49 Ų4953.8 Ų53.823%0.22927%0.268CS..Hα-helixtrans-62.8-43.7175.6-64.5-59166.400111.8D117 L118 C123 R124 D125 M143 V147D117-E121 WeakPolarHBondContact O-CG 3.34Å; D117-E121 PolarHBondContact O-N 3.41Å; L118-E121 PolarHBondContact O-N 3.11Å; E121-C123 PolarHBondContact O-N 3.24Å; E121-R124 PolarHBondContact O-N 3.38Å; E121-R124 IonicContact OE1-CZ 2.9Å; E121-R124 IonicContact OE1-NH1 3.7Å; E121-R124 PolarHBondContact OE1-NH1 3.3Å; E121-R124 IonicContact OE2-CZ 2.78Å; E121-R124 IonicContact OE2-NH1 3.95Å; E121-R124 PolarHBondContact OE2-NH1 3.18Å; E121-D125 PolarHBondContact O-N 3.24Å; E121-M143 HydrophobicContact CB-CG 4.31Å; E121-M143 HydrophobicContact CB-SD 3.94Å; E121-V147 HydrophobicContact CG-CG2 3.9Å
122I87.6Confident77.1Confident6 Ų660.2 Ų60.23%0.03130%0.298CS..Hα-helixtrans-57.6-39.2176.9-68.3162.2000111.5L118 M119 L140 M143 R174 L177 V178L118-I122 HydrophobicContact CD1-CD1 4.09Å; L118-I122 HydrophobicContact CD1-CG1 4.36Å; L118-I122 HydrophobicContact CG-CD1 3.91Å; L118-I122 WeakPolarHBondContact O-CD1 3.5Å; L118-I122 VanDerWaalsContact O-CG1 3.26Å; L118-I122 WeakPolarHBondContact O-CG1 3.21Å; L118-I122 PolarHBondContact O-N 3.2Å; M119-I122 PolarHBondContact O-N 3.42Å; M119-I122 HydrophobicContact SD-CD1 4.31Å; I122-L140 HydrophobicContact CD1-CD1 3.73Å; I122-L140 HydrophobicContact CG1-CD1 3.9Å; I122-M143 HydrophobicContact CG1-SD 4.33Å; I122-R174 HydrophobicContact CG2-CG 4.49Å; I122-R174 PolarHBondContact O-NE 2.91Å; I122-R174 PolarHBondContact O-NH2 2.91Å; I122-L177 HydrophobicContact CD1-CD2 3.65Å; I122-V178 HydrophobicContact CG2-CG2 3.96Å
123C85.4Confident74.9Confident4 Ų464.4 Ų64.43%0.02732%0.324CS..Hα-helixtrans-78.3-33.9178.7-65.90000113.3M119 Q120 E121 D125 F126 T202M119-C123 WeakPolarHBondContact O-CB 3.4Å; M119-C123 PolarHBondContact O-N 3.29Å; M119-C123 PolarHBondContact O-SG 3.23Å; Q120-C123 PolarHBondContact O-N 2.78Å; E121-C123 PolarHBondContact O-N 3.24Å; C123-D125 VanDerWaalsContact C-N 3.28Å; C123-D125 PolarHBondContact O-N 3.02Å; C123-F126 WeakPolarHBondContact O-CB 3.47Å; C123-F126 PolarHBondContact O-N 3.29Å; C123-T202 HydrophobicContact CB-CG2 3.55Å
124R78.9Confident72.6Confident93 Ų9365.9 Ų65.935%0.35134%0.336SS..Hα-helixtrans-59.7-42.1177.5-80.9-178.5-166.1149.98111.5Q120 E121 F126 L127 F128Q120-R124 VanDerWaalsContact CD-NH2 3.34Å; Q120-R124 WeakPolarHBondContact O-CG 3.44Å; Q120-R124 PolarHBondContact O-N 2.93Å; E121-R124 PolarHBondContact O-N 3.38Å; E121-R124 IonicContact OE1-CZ 2.9Å; E121-R124 IonicContact OE1-NH1 3.7Å; E121-R124 PolarHBondContact OE1-NH1 3.3Å; E121-R124 IonicContact OE2-CZ 2.78Å; E121-R124 IonicContact OE2-NH1 3.95Å; E121-R124 PolarHBondContact OE2-NH1 3.18Å; R124-F126 PolarHBondContact O-N 2.95Å; R124-F126 VanDerWaalsContact O-N 3.14Å; R124-L127 PolarHBondContact O-N 3.06Å; R124-F128 VanDerWaalsContact O-CD2 3.31Å; R124-F128 WeakPolarHBondContact O-CD2 3.3Å; R124-F128 PolarHBondContact O-N 3.43Å; R124-F128 VanDerWaalsContact O-N 3.07Å
125D64.8Low70.6Confident41 Ų4168.6 Ų68.622%0.21936%0.357CS..Hα-helixtrans-62.1-22.4177.6-82.72.6000112E121 C123 S129 M143 R174E121-D125 PolarHBondContact O-N 3.24Å; C123-D125 VanDerWaalsContact C-N 3.28Å; C123-D125 PolarHBondContact O-N 3.02Å; D125-S129 WeakPolarHBondContact O-CA 3.34Å; D125-S129 WeakPolarHBondContact O-CB 3.25Å; D125-S129 PolarHBondContact O-N 2.96Å; D125-M143 WeakPolarHBondContact OD2-CE 3.15Å; D125-R174 VanDerWaalsContact CB-NH2 3.3Å
126F61.5Low68.9Low59 Ų5971.4 Ų71.426%0.25938%0.376SS..Hα-helixtrans-67.6-38.7170.9-95.5-79.5000112.8C123 R124 V178 N194C123-F126 WeakPolarHBondContact O-CB 3.47Å; C123-F126 PolarHBondContact O-N 3.29Å; R124-F126 PolarHBondContact O-N 2.95Å; R124-F126 VanDerWaalsContact O-N 3.14Å; F126-V178 HydrophobicContact CE2-CB 4.38Å; F126-V178 HydrophobicContact CE2-CG1 3.76Å; F126-V178 HydrophobicContact CE2-CG2 3.81Å; F126-V178 HydrophobicContact CZ-CG1 3.77Å; F126-V178 HydrophobicContact CZ-CG2 4.46Å; F126-N194 HydrophobicContact CD1-CB 4.36Å; F126-N194 HydrophobicContact CE1-CB 3.47Å; F126-N194 VanDerWaalsContact CE1-CB 3.47Å; F126-N194 HydrophobicContact CZ-CB 3.6Å
127L52Low66.9Low125 Ų12576.2 Ų76.265%0.65440%0.401SS*.Hα-helixtrans-74.5-31.2179.8-63.4171.3000111.9R124R124-L127 PolarHBondContact O-N 3.06Å
128F52.2Low65.3Low137 Ų13778.5 Ų78.560%0.60141%0.411SS*.Hα-helixtrans-105.9-8.8-175.6-65.9-74000115.5R124 K130 V131R124-F128 VanDerWaalsContact O-CD2 3.31Å; R124-F128 WeakPolarHBondContact O-CD2 3.3Å; R124-F128 PolarHBondContact O-N 3.43Å; R124-F128 VanDerWaalsContact O-N 3.07Å; F128-K130 PolarHBondContact O-N 3.19Å; F128-V131 PolarHBondContact O-N 3.36Å
129S51.3Low64.7Low57 Ų5778.4 Ų78.440%0.39941%0.41SS..THydrogen-bonded Turntrans-60.3-11.5178.8170.90000114.1D125 V131 T133D125-S129 WeakPolarHBondContact O-CA 3.34Å; D125-S129 WeakPolarHBondContact O-CB 3.25Å; D125-S129 PolarHBondContact O-N 2.96Å; S129-V131 PolarHBondContact O-N 3.27Å; S129-T133 WeakPolarHBondContact OG-CG2 3.13Å
130K50.6Low64.5Low203 Ų20378.1 Ų78.188%0.88341%0.409SS*.THydrogen-bonded Turntrans-68.4-12.1166.8-75.8-169.9176.6179.20114.2F128F128-K130 PolarHBondContact O-N 3.19Å
131V48.4Very low64.4Low111 Ų11177.1 Ų77.167%0.67340%0.403SS*.THydrogen-bonded Turntrans-123.4-31.7-166-173.60000115.4F128 S129F128-V131 PolarHBondContact O-N 3.36Å; S129-V131 PolarHBondContact O-N 3.27Å
132L46.4Very low64.5Low158 Ų15879 Ų7983%0.82742%0.418SS*.  trans-167113.1169.4-86.7121.8000110.5
133T51.2Low64.6Low88 Ų8879.8 Ų79.854%0.5442%0.422SS..PPolyproline II helixtrans-97.3127175.846.70000111.5S129S129-T133 WeakPolarHBondContact OG-CG2 3.13Å
134P50Low64.9Low65 Ų6579.7 Ų79.742%0.42242%0.421SS..PPolyproline II helixtrans-58.6162.5158-12.424.7000110.2Q139P134-Q139 HydrophobicContact CB-CG 3.83Å; P134-Q139 HydrophobicContact CG-CG 3.99Å; P134-Q139 PolarHBondContact O-NE2 3.31Å
135P52.2Low65.6Low93 Ų9379.4 Ų79.460%0.60442%0.42SS*.PPolyproline II helixtrans-52.5132.8176.1-22.831.8000111.3D137 E138P135-D137 PolarHBondContact O-N 2.94Å; P135-E138 PolarHBondContact O-N 2.95Å
136P58.8Low67Low83 Ų8379.8 Ų79.854%0.53943%0.426SS..THydrogen-bonded Turntrans-51.8-32.7-170.6-29.634.3000115.7
137D55.3Low68.5Low101 Ų10177.1 Ų77.154%0.5442%0.415SS..THydrogen-bonded Turntrans-83.6-18.3-171.4-73.1-15.3000115.3P135 T173P135-D137 PolarHBondContact O-N 2.94Å; D137-T173 VanDerWaalsContact OD1-CG2 3.28Å; D137-T173 WeakPolarHBondContact OD1-CG2 3.39Å
138E60.4Low70.6Confident87 Ų8771.4 Ų71.441%0.40738%0.384SS..THydrogen-bonded Turntrans-105.6-7.3-175.4-72.5-58.4132.700114P135 K141 T142P135-E138 PolarHBondContact O-N 2.95Å; E138-K141 IonicContact OE1-NZ 3.02Å; E138-K141 PolarHBondContact OE1-NZ 3.44Å; E138-T142 WeakPolarHBondContact O-CB 2.99Å; E138-T142 PolarHBondContact O-N 3.42Å; E138-T142 VanDerWaalsContact O-N 3.16Å; E138-T142 PolarHBondContact O-OG1 2.98Å; E138-T142 VanDerWaalsContact O-OG1 3.04Å
139Q79.8Confident72.7Confident12 Ų1268.2 Ų68.26%0.05637%0.374CS..Hα-helixtrans-57.8-54.2-176.8-77.3-177.621.500111.9P134 M143 R174P134-Q139 HydrophobicContact CB-CG 3.83Å; P134-Q139 HydrophobicContact CG-CG 3.99Å; P134-Q139 PolarHBondContact O-NE2 3.31Å; Q139-M143 HydrophobicContact CB-CE 3.61Å; Q139-M143 HydrophobicContact CG-CE 4.38Å; Q139-M143 WeakPolarHBondContact O-CB 3.41Å; Q139-M143 WeakPolarHBondContact O-CE 3.39Å; Q139-M143 VanDerWaalsContact O-CG 3.23Å; Q139-M143 WeakPolarHBondContact O-CG 3.44Å; Q139-M143 PolarHBondContact O-N 2.71Å; Q139-R174 HydrophobicContact CB-CB 4.34Å
140L87.8Confident74.8Confident2 Ų272.2 Ų72.21%0.0138%0.384CS..Hα-helixtrans-68.9-40.5-174.2-174.960.1000112.8L118 I122 T142 M143 A144 L171 P172 R174 L177L118-L140 HydrophobicContact CD1-CD1 4.13Å; I122-L140 HydrophobicContact CD1-CD1 3.73Å; I122-L140 HydrophobicContact CG1-CD1 3.9Å; L140-T142 VanDerWaalsContact C-N 3.35Å; L140-T142 PolarHBondContact O-N 3.38Å; L140-M143 PolarHBondContact O-N 2.86Å; L140-A144 VanDerWaalsContact O-CB 3.25Å; L140-A144 WeakPolarHBondContact O-CB 3.19Å; L140-A144 PolarHBondContact O-N 2.88Å; L140-L171 HydrophobicContact CD2-CB 4.18Å; L140-L171 HydrophobicContact CG-CB 4.48Å; L140-L171 HydrophobicContact CG-CD1 4.31Å; L140-P172 HydrophobicContact CD2-CG 4.41Å; L140-P172 WeakPolarHBondContact CD2-O 3.47Å; L140-R174 HydrophobicContact CB-CB 4.13Å; L140-L177 HydrophobicContact CD1-CD2 4.02Å; L140-L177 HydrophobicContact CD2-CB 4.19Å; L140-L177 HydrophobicContact CD2-CD2 3.62Å
141K89.8Confident77Confident45 Ų4562.8 Ų62.820%0.19634%0.343CS..Hα-helixtrans-62.2-46.2-179.6-57.9177.5-162.8155.90110.6E138 R145 V168E138-K141 IonicContact OE1-NZ 3.02Å; E138-K141 PolarHBondContact OE1-NZ 3.44Å; K141-R145 VanDerWaalsContact O-CB 3.28Å; K141-R145 WeakPolarHBondContact O-CB 3.37Å; K141-R145 PolarHBondContact O-N 3.33Å; K141-V168 HydrophobicContact CB-CG1 4.06Å; K141-V168 VanDerWaalsContact O-CG1 3.28Å; K141-V168 WeakPolarHBondContact O-CG1 3.28Å
142T89.1Confident79.2Confident88 Ų8858.3 Ų58.354%0.5432%0.316SS..Hα-helixtrans-68-41.5179.8-60.40000111.2E138 L140 R145 S146E138-T142 WeakPolarHBondContact O-CB 2.99Å; E138-T142 PolarHBondContact O-N 3.42Å; E138-T142 VanDerWaalsContact O-N 3.16Å; E138-T142 PolarHBondContact O-OG1 2.98Å; E138-T142 VanDerWaalsContact O-OG1 3.04Å; L140-T142 VanDerWaalsContact C-N 3.35Å; L140-T142 PolarHBondContact O-N 3.38Å; T142-R145 PolarHBondContact O-N 3.14Å; T142-S146 VanDerWaalsContact O-CB 3.26Å; T142-S146 WeakPolarHBondContact O-CB 3.17Å; T142-S146 PolarHBondContact O-N 2.97Å
143M90.2Very high81.6Confident23 Ų2351.2 Ų51.211%0.11328%0.28CS..Hα-helixtrans-59.5-54.5172.7-76.7-176.5-124.600111.7L118 E121 I122 D125 Q139 L140 R145 S146 V147L118-M143 HydrophobicContact CD1-CB 4.23Å; E121-M143 HydrophobicContact CB-CG 4.31Å; E121-M143 HydrophobicContact CB-SD 3.94Å; I122-M143 HydrophobicContact CG1-SD 4.33Å; D125-M143 WeakPolarHBondContact OD2-CE 3.15Å; Q139-M143 HydrophobicContact CB-CE 3.61Å; Q139-M143 HydrophobicContact CG-CE 4.38Å; Q139-M143 WeakPolarHBondContact O-CB 3.41Å; Q139-M143 WeakPolarHBondContact O-CE 3.39Å; Q139-M143 VanDerWaalsContact O-CG 3.23Å; Q139-M143 WeakPolarHBondContact O-CG 3.44Å; Q139-M143 PolarHBondContact O-N 2.71Å; L140-M143 PolarHBondContact O-N 2.86Å; M143-R145 VanDerWaalsContact C-N 3.28Å; M143-R145 PolarHBondContact O-N 2.94Å; M143-S146 PolarHBondContact O-N 3.07Å; M143-S146 VanDerWaalsContact O-N 3.15Å; M143-V147 WeakPolarHBondContact O-CG2 3.47Å; M143-V147 PolarHBondContact O-N 3.44Å
144A92.3Very high83.7Confident2 Ų253.2 Ų53.22%0.01728%0.283CS..Hα-helixtrans-58.8-41.1-179.400000111.5L118 L140 Y148 V168 L171L118-A144 HydrophobicContact CD1-CB 4.11Å; L118-A144 HydrophobicContact CD2-CB 4.41Å; L140-A144 VanDerWaalsContact O-CB 3.25Å; L140-A144 WeakPolarHBondContact O-CB 3.19Å; L140-A144 PolarHBondContact O-N 2.88Å; A144-Y148 WeakPolarHBondContact O-CB 3.01Å; A144-Y148 PolarHBondContact O-N 3.27Å; A144-V168 HydrophobicContact CB-CG1 4.46Å; A144-V168 HydrophobicContact CB-CG2 4.42Å; A144-L171 HydrophobicContact CB-CD1 3.43Å; A144-L171 VanDerWaalsContact CB-CD1 3.43Å
145R93.2Very high85.8Confident88 Ų8854.7 Ų54.733%0.33228%0.281SS..Hα-helixtrans-62.5-49.2175-176.766.9-160.5-165.19.2112.1K141 T142 M143 V147 Y148 D149 V168K141-R145 VanDerWaalsContact O-CB 3.28Å; K141-R145 WeakPolarHBondContact O-CB 3.37Å; K141-R145 PolarHBondContact O-N 3.33Å; T142-R145 PolarHBondContact O-N 3.14Å; M143-R145 VanDerWaalsContact C-N 3.28Å; M143-R145 PolarHBondContact O-N 2.94Å; R145-V147 PolarHBondContact O-N 3.5Å; R145-Y148 PolarHBondContact O-N 3.47Å; R145-D149 IonicContact CZ-OD1 3.68Å; R145-D149 IonicContact CZ-OD2 2.63Å; R145-D149 IonicContact NE-OD1 2.66Å; R145-D149 PolarHBondContact NE-OD1 3.44Å; R145-D149 IonicContact NE-OD2 3.59Å; R145-D149 PolarHBondContact NE-OD2 2.79Å; R145-D149 IonicContact NH2-OD1 3.63Å; R145-D149 PolarHBondContact NH2-OD1 3.26Å; R145-D149 IonicContact NH2-OD2 2.7Å; R145-D149 PolarHBondContact NH2-OD2 3.05Å; R145-D149 WeakPolarHBondContact O-CB 3.43Å; R145-D149 PolarHBondContact O-N 2.86Å; R145-V168 HydrophobicContact CB-CG1 4.36Å
146S93.6Very high87.8Confident49 Ų4953 Ų5334%0.34327%0.265SS..Hα-helixtrans-60-45.6-179.9-178.80000112T142 M143 D149 K150T142-S146 VanDerWaalsContact O-CB 3.26Å; T142-S146 WeakPolarHBondContact O-CB 3.17Å; T142-S146 PolarHBondContact O-N 2.97Å; M143-S146 PolarHBondContact O-N 3.07Å; M143-S146 VanDerWaalsContact O-N 3.15Å; S146-D149 PolarHBondContact O-N 2.92Å; S146-K150 WeakPolarHBondContact O-CG 3.49Å; S146-K150 PolarHBondContact O-N 3.3Å; S146-K150 PolarHBondContact OG-NZ 3.22Å
147V94.7Very high89.5Confident3 Ų353 Ų532%0.01827%0.265CS..Hα-helixtrans-67.4-42.1177.6179.50000110.9F114 D117 L118 E121 M143 R145 D149 K150 T151F114-V147 HydrophobicContact CD2-CB 4.23Å; F114-V147 HydrophobicContact CD2-CG1 3.69Å; F114-V147 HydrophobicContact CE2-CB 4.23Å; F114-V147 HydrophobicContact CE2-CG1 4.14Å; F114-V147 HydrophobicContact CG-CG1 4.45Å; D117-V147 HydrophobicContact CB-CG1 3.49Å; D117-V147 VanDerWaalsContact CB-CG1 3.49Å; D117-V147 HydrophobicContact CB-CG2 4.45Å; L118-V147 HydrophobicContact CB-CG1 4.41Å; E121-V147 HydrophobicContact CG-CG2 3.9Å; M143-V147 WeakPolarHBondContact O-CG2 3.47Å; M143-V147 PolarHBondContact O-N 3.44Å; R145-V147 PolarHBondContact O-N 3.5Å; V147-D149 VanDerWaalsContact C-N 3.35Å; V147-D149 PolarHBondContact O-N 2.54Å; V147-K150 PolarHBondContact O-N 3.26Å; V147-T151 HydrophobicContact CG1-CG2 4.14Å; V147-T151 WeakPolarHBondContact O-CB 3.38Å; V147-T151 WeakPolarHBondContact O-CG2 3.35Å; V147-T151 PolarHBondContact O-N 3.44Å; V147-T151 PolarHBondContact O-OG1 2.99Å
148Y95.9Very high91.4Very high4 Ų456 Ų562%0.01627%0.269CS..Hα-helixtrans-57.9-46.9176.1173.6-100.7000112.1A144 R145 K150 T151 L152 A153 H156 V164A144-Y148 WeakPolarHBondContact O-CB 3.01Å; A144-Y148 PolarHBondContact O-N 3.27Å; R145-Y148 PolarHBondContact O-N 3.47Å; Y148-K150 VanDerWaalsContact C-N 3.28Å; Y148-K150 PolarHBondContact O-N 3.37Å; Y148-T151 PolarHBondContact O-N 2.66Å; Y148-L152 HydrophobicContact CD2-CB 3.7Å; Y148-L152 HydrophobicContact CD2-CD1 4.2Å; Y148-L152 HydrophobicContact CE2-CB 3.62Å; Y148-L152 HydrophobicContact CE2-CD1 4.41Å; Y148-L152 PolarHBondContact O-N 3.33Å; Y148-A153 HydrophobicContact CD1-CB 3.97Å; Y148-A153 HydrophobicContact CE1-CB 3.6Å; Y148-A153 PolarHBondContact O-N 3.44Å; Y148-H156 AromaticContact CE2-CE1 3.99Å; Y148-H156 AromaticContact CE2-ND1 3.5Å; Y148-H156 WeakPolarHBondContact CE2-ND1 3.36Å; Y148-H156 AromaticContact CZ-ND1 3.64Å; Y148-H156 PolarHBondContact OH-ND1 3.23Å; Y148-V164 HydrophobicContact CD1-CG1 4.01Å; Y148-V164 HydrophobicContact CD2-CG1 3.7Å; Y148-V164 HydrophobicContact CE1-CB 4.25Å; Y148-V164 HydrophobicContact CE1-CG1 3.96Å; Y148-V164 HydrophobicContact CE2-CB 4.06Å; Y148-V164 HydrophobicContact CE2-CG1 3.66Å; Y148-V164 HydrophobicContact CE2-CG2 3.82Å; Y148-V164 HydrophobicContact CG-CG1 3.86Å
149D95.8Very high93.1Very high71 Ų7155.6 Ų55.638%0.3827%0.273SS..Hα-helixtrans-63.7-33.7-178.8-73.7-29.2000111.8R145 S146 V147R145-D149 IonicContact CZ-OD1 3.68Å; R145-D149 IonicContact CZ-OD2 2.63Å; R145-D149 IonicContact NE-OD1 2.66Å; R145-D149 PolarHBondContact NE-OD1 3.44Å; R145-D149 IonicContact NE-OD2 3.59Å; R145-D149 PolarHBondContact NE-OD2 2.79Å; R145-D149 IonicContact NH2-OD1 3.63Å; R145-D149 PolarHBondContact NH2-OD1 3.26Å; R145-D149 IonicContact NH2-OD2 2.7Å; R145-D149 PolarHBondContact NH2-OD2 3.05Å; R145-D149 WeakPolarHBondContact O-CB 3.43Å; R145-D149 PolarHBondContact O-N 2.86Å; S146-D149 PolarHBondContact O-N 2.92Å; V147-D149 VanDerWaalsContact C-N 3.35Å; V147-D149 PolarHBondContact O-N 2.54Å
150K95.8Very high93.7Very high141 Ų14158.1 Ų58.161%0.61329%0.287SS*.Hα-helixtrans-79.2-24.9177.6-68.2170.1-174.2173.60114.6S146 V147 Y148S146-K150 WeakPolarHBondContact O-CG 3.49Å; S146-K150 PolarHBondContact O-N 3.3Å; S146-K150 PolarHBondContact OG-NZ 3.22Å; V147-K150 PolarHBondContact O-N 3.26Å; Y148-K150 VanDerWaalsContact C-N 3.28Å; Y148-K150 PolarHBondContact O-N 3.37Å
151T95.7Very high94.1Very high4 Ų463 Ų633%0.02531%0.305CS..Hα-helixtrans-111.8-63.1-16956.20000112.3L113 V147 Y148 Q154 Y155L113-T151 HydrophobicContact CD2-CG2 3.94Å; L113-T151 HydrophobicContact CG-CG2 3.81Å; V147-T151 HydrophobicContact CG1-CG2 4.14Å; V147-T151 WeakPolarHBondContact O-CB 3.38Å; V147-T151 WeakPolarHBondContact O-CG2 3.35Å; V147-T151 PolarHBondContact O-N 3.44Å; V147-T151 PolarHBondContact O-OG1 2.99Å; Y148-T151 PolarHBondContact O-N 2.66Å; T151-Q154 PolarHBondContact O-NE2 3.46Å; T151-Y155 WeakPolarHBondContact O-CD2 3.42Å; T151-Y155 VanDerWaalsContact O-CE2 3.24Å; T151-Y155 WeakPolarHBondContact O-CE2 3.33Å
152L95.5Very high94.3Very high18 Ų1866.7 Ų66.79%0.09432%0.321CS..THydrogen-bonded Turntrans-98.3-30.2-167.8-76.7173.2000114.1R110 A111 F114 Y148 Q154 Y155 H156R110-L152 HydrophobicContact CB-CD2 3.92Å; A111-L152 HydrophobicContact CB-CD2 4.38Å; F114-L152 HydrophobicContact CB-CD1 3.61Å; F114-L152 HydrophobicContact CB-CG 4.01Å; F114-L152 HydrophobicContact CD1-CD1 4.3Å; F114-L152 HydrophobicContact CD2-CD1 4.27Å; F114-L152 HydrophobicContact CG-CD1 3.8Å; Y148-L152 HydrophobicContact CD2-CB 3.7Å; Y148-L152 HydrophobicContact CD2-CD1 4.2Å; Y148-L152 HydrophobicContact CE2-CB 3.62Å; Y148-L152 HydrophobicContact CE2-CD1 4.41Å; Y148-L152 PolarHBondContact O-N 3.33Å; L152-Q154 PolarHBondContact O-N 3.47Å; L152-Q154 VanDerWaalsContact O-N 3.08Å; L152-Y155 PolarHBondContact O-N 2.95Å; L152-H156 PolarHBondContact O-N 3.28Å
153A96Very high94.5Very high8 Ų864.3 Ų64.37%0.06631%0.31CS..G310 helixtrans-58.6-30.3-170.300000113.7Y148 Y155 H156 R161Y148-A153 HydrophobicContact CD1-CB 3.97Å; Y148-A153 HydrophobicContact CE1-CB 3.6Å; Y148-A153 PolarHBondContact O-N 3.44Å; A153-Y155 PolarHBondContact O-N 2.76Å; A153-H156 PolarHBondContact O-N 2.97Å; A153-R161 WeakPolarHBondContact O-CD 3.43Å
154Q95.5Very high94.6Very high131 Ų13164.1 Ų64.161%0.61231%0.31SS*.G310 helixtrans-66.5-21.6176.363.9-175.6-32.300113.9T151 L152T151-Q154 PolarHBondContact O-NE2 3.46Å; L152-Q154 PolarHBondContact O-N 3.47Å; L152-Q154 VanDerWaalsContact O-N 3.08Å
155Y94.4Very high94.6Very high96 Ų9664.6 Ų64.638%0.37632%0.315SS..G310 helixtrans-100.7-5.3-178.5-52.7-62.8000113.3R110 T151 L152 A153R110-Y155 HydrophobicContact CB-CD2 4.36Å; R110-Y155 HydrophobicContact CB-CE2 4.38Å; R110-Y155 HydrophobicContact CG-CD2 4.08Å; R110-Y155 HydrophobicContact CG-CE2 3.82Å; R110-Y155 VanDerWaalsContact CZ-CE1 3.42Å; T151-Y155 WeakPolarHBondContact O-CD2 3.42Å; T151-Y155 VanDerWaalsContact O-CE2 3.24Å; T151-Y155 WeakPolarHBondContact O-CE2 3.33Å; L152-Y155 PolarHBondContact O-N 2.95Å; A153-Y155 PolarHBondContact O-N 2.76Å
156H93.9Very high94.5Very high58 Ų5864.8 Ų64.827%0.26933%0.326SS..SBendtrans-106.4131.1-175.6-73.2168.9000111.7Y148 L152 A153 I160 R161Y148-H156 AromaticContact CE2-CE1 3.99Å; Y148-H156 AromaticContact CE2-ND1 3.5Å; Y148-H156 WeakPolarHBondContact CE2-ND1 3.36Å; Y148-H156 AromaticContact CZ-ND1 3.64Å; Y148-H156 PolarHBondContact OH-ND1 3.23Å; L152-H156 PolarHBondContact O-N 3.28Å; A153-H156 PolarHBondContact O-N 2.97Å; H156-I160 HydrophobicContact CB-CB 4.05Å; H156-I160 HydrophobicContact CB-CG2 3.84Å; H156-R161 HydrophobicContact CB-CG 3.88Å; H156-R161 WeakPolarHBondContact O-CG 3.37Å
157P94.7Very high94.4Very high83 Ų8362.7 Ų62.754%0.53931%0.311SS..  trans-66.5161.8173.530.4-35.2000110.6P159 I160 R161P157-P159 VanDerWaalsContact C-CD 3.42Å; P157-P159 VanDerWaalsContact C-N 3.34Å; P157-P159 VanDerWaalsContact O-N 3.16Å; P157-I160 HydrophobicContact CG-CB 4.35Å; P157-I160 HydrophobicContact CG-CG1 3.82Å; P157-I160 PolarHBondContact O-N 3.16Å; P157-R161 PolarHBondContact O-N 3.44Å; P157-R161 VanDerWaalsContact O-N 3.12Å
158W95.3Very high94.2Very high164 Ų16463.1 Ų63.162%0.62131%0.314SS*.Hα-helixtrans-48.6-43.8-174.9179.795.3000114.9I160 R161 K162W158-I160 PolarHBondContact O-N 3.43Å; W158-R161 PolarHBondContact O-N 3.05Å; W158-K162 HydrophobicContact CD2-CG 4.13Å; W158-K162 HydrophobicContact CE3-CG 4.4Å; W158-K162 HydrophobicContact CH2-CG 4.19Å; W158-K162 HydrophobicContact CZ2-CD 4.29Å; W158-K162 HydrophobicContact CZ2-CG 3.91Å; W158-K162 HydrophobicContact CZ3-CG 4.42Å; W158-K162 PolarHBondContact O-N 3.44Å; W158-K162 VanDerWaalsContact O-N 3.08Å
159P95.5Very high93.8Very high78 Ų7871.4 Ų71.451%0.50635%0.346SS..Hα-helixtrans-61.4-41.6178.3-23.234.2000113.3P157 K162 A163P157-P159 VanDerWaalsContact C-CD 3.42Å; P157-P159 VanDerWaalsContact C-N 3.34Å; P157-P159 VanDerWaalsContact O-N 3.16Å; P159-K162 WeakPolarHBondContact O-CB 3.28Å; P159-K162 PolarHBondContact O-N 2.96Å; P159-A163 PolarHBondContact O-N 2.94Å
160I93.8Very high93.4Very high65 Ų6569.6 Ų69.633%0.33334%0.342SS..Hα-helixtrans-67-40.4179-59.3-60.3000110.3H156 P157 W158 K162 A163 V164H156-I160 HydrophobicContact CB-CB 4.05Å; H156-I160 HydrophobicContact CB-CG2 3.84Å; P157-I160 HydrophobicContact CG-CB 4.35Å; P157-I160 HydrophobicContact CG-CG1 3.82Å; P157-I160 PolarHBondContact O-N 3.16Å; W158-I160 PolarHBondContact O-N 3.43Å; I160-K162 PolarHBondContact O-N 3.15Å; I160-A163 PolarHBondContact O-N 3.05Å; I160-V164 HydrophobicContact CG2-CG2 4.44Å; I160-V164 WeakPolarHBondContact O-CG2 3.35Å; I160-V164 PolarHBondContact O-N 2.97Å
161R95.3Very high93.1Very high105 Ų10563.5 Ų63.540%0.39632%0.316SS..Hα-helixtrans-61.1-33.5174.3-59.9-168.6-65.3-164.7-2.6112.8A153 H156 P157 W158 G165A153-R161 WeakPolarHBondContact O-CD 3.43Å; H156-R161 HydrophobicContact CB-CG 3.88Å; H156-R161 WeakPolarHBondContact O-CG 3.37Å; P157-R161 PolarHBondContact O-N 3.44Å; P157-R161 VanDerWaalsContact O-N 3.12Å; W158-R161 PolarHBondContact O-N 3.05Å; R161-G165 PolarHBondContact O-N 3.5Å; R161-G165 VanDerWaalsContact O-N 3.08Å
162K94.4Very high92.7Very high122 Ų12264.7 Ų64.753%0.5332%0.324SS..Hα-helixtrans-71.4-44.5174.1-70-64.1-173.8178.40111.9W158 P159 I160 V164 G165 V166W158-K162 HydrophobicContact CD2-CG 4.13Å; W158-K162 HydrophobicContact CE3-CG 4.4Å; W158-K162 HydrophobicContact CH2-CG 4.19Å; W158-K162 HydrophobicContact CZ2-CD 4.29Å; W158-K162 HydrophobicContact CZ2-CG 3.91Å; W158-K162 HydrophobicContact CZ3-CG 4.42Å; W158-K162 PolarHBondContact O-N 3.44Å; W158-K162 VanDerWaalsContact O-N 3.08Å; P159-K162 WeakPolarHBondContact O-CB 3.28Å; P159-K162 PolarHBondContact O-N 2.96Å; I160-K162 PolarHBondContact O-N 3.15Å; K162-V164 PolarHBondContact O-N 3Å; K162-G165 WeakPolarHBondContact O-CA 3.41Å; K162-G165 PolarHBondContact O-N 3.34Å; K162-G165 VanDerWaalsContact O-N 3.1Å; K162-V166 PolarHBondContact O-N 3.15Å
163A93.4Very high92.3Very high38 Ų3865.1 Ų65.131%0.31433%0.327SS..Hα-helixtrans-58.9-45.7175.300000112F52 P159 I160 G165 V166 A167F52-A163 HydrophobicContact CZ-CB 4.3Å; P159-A163 PolarHBondContact O-N 2.94Å; I160-A163 PolarHBondContact O-N 3.05Å; A163-G165 VanDerWaalsContact C-N 3.3Å; A163-G165 PolarHBondContact O-N 3.08Å; A163-V166 PolarHBondContact O-N 3.11Å; A163-A167 PolarHBondContact O-N 3Å
164V92.3Very high91.8Very high18 Ų1865.8 Ų65.811%0.10933%0.328CS..Hα-helixtrans-61.3-39.8173.9174.90000111.3F52 Y148 I160 K162 V166 A167 V168F52-V164 HydrophobicContact CE2-CG2 4.35Å; F52-V164 HydrophobicContact CZ-CG2 4.16Å; Y148-V164 HydrophobicContact CD1-CG1 4.01Å; Y148-V164 HydrophobicContact CD2-CG1 3.7Å; Y148-V164 HydrophobicContact CE1-CB 4.25Å; Y148-V164 HydrophobicContact CE1-CG1 3.96Å; Y148-V164 HydrophobicContact CE2-CB 4.06Å; Y148-V164 HydrophobicContact CE2-CG1 3.66Å; Y148-V164 HydrophobicContact CE2-CG2 3.82Å; Y148-V164 HydrophobicContact CG-CG1 3.86Å; I160-V164 HydrophobicContact CG2-CG2 4.44Å; I160-V164 WeakPolarHBondContact O-CG2 3.35Å; I160-V164 PolarHBondContact O-N 2.97Å; K162-V164 PolarHBondContact O-N 3Å; V164-V166 VanDerWaalsContact C-N 3.3Å; V164-V166 PolarHBondContact O-N 3.31Å; V164-A167 PolarHBondContact O-N 2.88Å; V164-V168 HydrophobicContact CG1-CG2 4.2Å; V164-V168 WeakPolarHBondContact O-CG2 3.46Å; V164-V168 PolarHBondContact O-N 3.43Å
165G91.6Very high91.3Very high12 Ų1266.5 Ų66.512%0.12433%0.331CS..Hα-helixtrans-54.3-46173.900000112.5R161 K162 A163 Y169R161-G165 PolarHBondContact O-N 3.5Å; R161-G165 VanDerWaalsContact O-N 3.08Å; K162-G165 WeakPolarHBondContact O-CA 3.41Å; K162-G165 PolarHBondContact O-N 3.34Å; K162-G165 VanDerWaalsContact O-N 3.1Å; A163-G165 VanDerWaalsContact C-N 3.3Å; A163-G165 PolarHBondContact O-N 3.08Å; G165-Y169 WeakPolarHBondContact O-CD2 3.34Å
166V92.1Very high91Very high93 Ų9367.1 Ų67.156%0.56434%0.337SS*.Hα-helixtrans-65.9-44.2175.8177.30000111.5K162 A163 V164 V168 Y169K162-V166 PolarHBondContact O-N 3.15Å; A163-V166 PolarHBondContact O-N 3.11Å; V164-V166 VanDerWaalsContact C-N 3.3Å; V164-V166 PolarHBondContact O-N 3.31Å; V166-V168 VanDerWaalsContact C-N 3.32Å; V166-V168 PolarHBondContact O-N 3.08Å; V166-Y169 PolarHBondContact O-N 3.19Å
167A90.8Very high90.8Very high4 Ų464.4 Ų64.43%0.03333%0.325CS..Hα-helixtrans-61.4-38-179.900000112.7F50 F52 A163 V164 Y169 A170F50-A167 HydrophobicContact CE1-CB 4.29Å; F50-A167 HydrophobicContact CE2-CB 4.12Å; F50-A167 WeakPolarHBondContact CE2-O 3.43Å; F50-A167 HydrophobicContact CZ-CB 3.99Å; F50-A167 WeakPolarHBondContact CZ-O 3.45Å; F52-A167 HydrophobicContact CE1-CB 3.95Å; F52-A167 HydrophobicContact CZ-CB 4.27Å; A163-A167 PolarHBondContact O-N 3Å; V164-A167 PolarHBondContact O-N 2.88Å; A167-Y169 VanDerWaalsContact C-N 3.26Å; A167-Y169 PolarHBondContact O-N 3.37Å; A167-A170 WeakPolarHBondContact O-CA 3.38Å; A167-A170 VanDerWaalsContact O-CB 3.26Å; A167-A170 WeakPolarHBondContact O-CB 3.32Å; A167-A170 PolarHBondContact O-N 3.12Å
168V90.4Very high90.5Very high12 Ų1261.1 Ų61.17%0.07330%0.303CS..Hα-helixtrans-60.9-33.9177.4168.30000112.1K141 A144 R145 V164 V166 A170 L171K141-V168 HydrophobicContact CB-CG1 4.06Å; K141-V168 VanDerWaalsContact O-CG1 3.28Å; K141-V168 WeakPolarHBondContact O-CG1 3.28Å; A144-V168 HydrophobicContact CB-CG1 4.46Å; A144-V168 HydrophobicContact CB-CG2 4.42Å; R145-V168 HydrophobicContact CB-CG1 4.36Å; V164-V168 HydrophobicContact CG1-CG2 4.2Å; V164-V168 WeakPolarHBondContact O-CG2 3.46Å; V164-V168 PolarHBondContact O-N 3.43Å; V166-V168 VanDerWaalsContact C-N 3.32Å; V166-V168 PolarHBondContact O-N 3.08Å; V168-A170 PolarHBondContact O-N 3.1Å; V168-L171 HydrophobicContact CB-CD1 4.41Å; V168-L171 HydrophobicContact CG1-CD1 4.18Å; V168-L171 HydrophobicContact CG2-CD1 4.44Å; V168-L171 WeakPolarHBondContact O-CB 3.49Å; V168-L171 WeakPolarHBondContact O-CG 3.47Å; V168-L171 PolarHBondContact O-N 3.41Å
169Y87.9Confident90.2Very high178 Ų17857.9 Ų57.970%0.69830%0.295SS*.Hα-helixtrans-67.6-19.7175.1-76.7-78.5000113.5G165 V166 A167G165-Y169 WeakPolarHBondContact O-CD2 3.34Å; V166-Y169 PolarHBondContact O-N 3.19Å; A167-Y169 VanDerWaalsContact C-N 3.26Å; A167-Y169 PolarHBondContact O-N 3.37Å
170A87.2Confident89.9Confident34 Ų3455 Ų5528%0.28127%0.274SS..THydrogen-bonded Turntrans-87.6-5.617800000113.8L49 F50 A167 V168L49-A170 HydrophobicContact CB-CB 3.72Å; L49-A170 HydrophobicContact CD1-CB 3.3Å; L49-A170 HydrophobicContact CG-CB 4.1Å; F50-A170 HydrophobicContact CE2-CB 4.39Å; A167-A170 WeakPolarHBondContact O-CA 3.38Å; A167-A170 VanDerWaalsContact O-CB 3.26Å; A167-A170 WeakPolarHBondContact O-CB 3.32Å; A167-A170 PolarHBondContact O-N 3.12Å; V168-A170 PolarHBondContact O-N 3.1Å
171L89Confident89.8Confident12 Ų1252.2 Ų52.26%0.06326%0.26CS..PPolyproline II helixtrans-61.5143.2178.2-72.6171.1000110.3F46 F50 L140 A144 V168F46-L171 HydrophobicContact CD1-CD2 3.69Å; F46-L171 HydrophobicContact CD2-CD2 3.89Å; F46-L171 HydrophobicContact CE1-CD2 3.68Å; F46-L171 HydrophobicContact CE2-CD2 3.89Å; F46-L171 HydrophobicContact CG-CD2 3.8Å; F46-L171 HydrophobicContact CZ-CD2 3.79Å; F50-L171 HydrophobicContact CE1-CD2 4.12Å; F50-L171 HydrophobicContact CE2-CD2 3.78Å; F50-L171 HydrophobicContact CE2-CG 4.18Å; F50-L171 HydrophobicContact CZ-CD2 3.31Å; F50-L171 HydrophobicContact CZ-CG 3.73Å; L140-L171 HydrophobicContact CD2-CB 4.18Å; L140-L171 HydrophobicContact CG-CB 4.48Å; L140-L171 HydrophobicContact CG-CD1 4.31Å; A144-L171 HydrophobicContact CB-CD1 3.43Å; A144-L171 VanDerWaalsContact CB-CD1 3.43Å; V168-L171 HydrophobicContact CB-CD1 4.41Å; V168-L171 HydrophobicContact CG1-CD1 4.18Å; V168-L171 HydrophobicContact CG2-CD1 4.44Å; V168-L171 WeakPolarHBondContact O-CB 3.49Å; V168-L171 WeakPolarHBondContact O-CG 3.47Å; V168-L171 PolarHBondContact O-N 3.41Å
172P87.7Confident89.7Confident30 Ų3048.2 Ų48.220%0.19525%0.247CC..PPolyproline II helixtrans-63.7172171.229.5-34.8000110.4Y45 F46 L140 H176 L177Y45-P172 HydrophobicContact CE1-CG 3.81Å; F46-P172 HydrophobicContact CD1-CG 4.12Å; F46-P172 HydrophobicContact CE1-CG 4.14Å; L140-P172 HydrophobicContact CD2-CG 4.41Å; L140-P172 WeakPolarHBondContact CD2-O 3.47Å; P172-H176 HydrophobicContact CB-CB 4.03Å; P172-L177 HydrophobicContact CG-CB 4.32Å
173T86.9Confident89.6Confident26 Ų2648.7 Ų48.716%0.1625%0.251CS..PPolyproline II helixtrans-65.3158.5168.875.50000109.7D137 E175 H176 L177D137-T173 VanDerWaalsContact OD1-CG2 3.28Å; D137-T173 WeakPolarHBondContact OD1-CG2 3.39Å; T173-E175 PolarHBondContact O-N 3.01Å; T173-H176 PolarHBondContact O-N 2.83Å; T173-H176 PolarHBondContact OG1-N 3.48Å; T173-H176 PolarHBondContact OG1-ND1 3.31Å; T173-L177 PolarHBondContact O-N 3.04Å; T173-L177 VanDerWaalsContact O-N 3.12Å
174R85.9Confident89.5Confident23 Ų2347.9 Ų47.99%0.08724%0.243CC..Hα-helixtrans-56.7-41.4176.1175.3171.1163.6-105.3-6.6111.4I122 D125 Q139 L140 L177 V178I122-R174 HydrophobicContact CG2-CG 4.49Å; I122-R174 PolarHBondContact O-NE 2.91Å; I122-R174 PolarHBondContact O-NH2 2.91Å; D125-R174 VanDerWaalsContact CB-NH2 3.3Å; Q139-R174 HydrophobicContact CB-CB 4.34Å; L140-R174 HydrophobicContact CB-CB 4.13Å; R174-L177 PolarHBondContact O-N 3.44Å; R174-V178 HydrophobicContact CG-CG2 4.24Å; R174-V178 VanDerWaalsContact O-CG2 3.23Å; R174-V178 WeakPolarHBondContact O-CG2 3.44Å; R174-V178 PolarHBondContact O-N 3.04Å
175E84.8Confident89.6Confident145 Ų14547.6 Ų47.668%0.67824%0.241SC*.Hα-helixtrans-60-47.6178.8-175.3177.2-17800112T173 L177 V178 H179T173-E175 PolarHBondContact O-N 3.01Å; E175-L177 PolarHBondContact O-N 3.35Å; E175-V178 PolarHBondContact O-N 3.06Å; E175-H179 VanDerWaalsContact O-CB 3.23Å; E175-H179 WeakPolarHBondContact O-CB 3.5Å; E175-H179 PolarHBondContact O-N 3.41Å
176H88.2Confident89.7Confident110 Ų11048.5 Ų48.551%0.50925%0.245SC..Hα-helixtrans-62.4-41177.8-74.6105.7000112.4Y45 P172 T173 H180Y45-H176 PolarHBondContact OH-O 3.37Å; P172-H176 HydrophobicContact CB-CB 4.03Å; T173-H176 PolarHBondContact O-N 2.83Å; T173-H176 PolarHBondContact OG1-N 3.48Å; T173-H176 PolarHBondContact OG1-ND1 3.31Å; H176-H180 WeakPolarHBondContact O-CB 3.34Å; H176-H180 PolarHBondContact O-N 3.38Å
177L88.9Confident89.6Confident1 Ų149.2 Ų49.21%0.00525%0.251CS..Hα-helixtrans-62.2-47.8175.917259000111.5L42 Y45 F46 I122 L140 P172 T173 R174 E175 H180 I181L42-L177 HydrophobicContact CD1-CD1 3.65Å; L42-L177 HydrophobicContact CG-CD1 4.5Å; Y45-L177 HydrophobicContact CD1-CD1 4.16Å; Y45-L177 HydrophobicContact CE1-CD1 3.96Å; F46-L177 HydrophobicContact CE1-CD1 4.11Å; F46-L177 HydrophobicContact CE1-CD2 4.5Å; F46-L177 HydrophobicContact CZ-CD1 4.46Å; I122-L177 HydrophobicContact CD1-CD2 3.65Å; L140-L177 HydrophobicContact CD1-CD2 4.02Å; L140-L177 HydrophobicContact CD2-CB 4.19Å; L140-L177 HydrophobicContact CD2-CD2 3.62Å; P172-L177 HydrophobicContact CG-CB 4.32Å; T173-L177 PolarHBondContact O-N 3.04Å; T173-L177 VanDerWaalsContact O-N 3.12Å; R174-L177 PolarHBondContact O-N 3.44Å; E175-L177 PolarHBondContact O-N 3.35Å; L177-H180 WeakPolarHBondContact O-CB 3.38Å; L177-H180 PolarHBondContact O-N 3.2Å; L177-I181 HydrophobicContact CD1-CD1 4.09Å; L177-I181 HydrophobicContact CD1-CG1 4.36Å; L177-I181 HydrophobicContact CG-CD1 4.23Å; L177-I181 WeakPolarHBondContact O-CG1 3.39Å; L177-I181 PolarHBondContact O-N 2.72Å
178V88.4Confident89.7Confident13 Ų1356.7 Ų56.78%0.07929%0.285CS..Hα-helixtrans-63.8-46.2-179.7172.90000110.4I122 F126 R174 E175 H180 I181 V182 N194I122-V178 HydrophobicContact CG2-CG2 3.96Å; F126-V178 HydrophobicContact CE2-CB 4.38Å; F126-V178 HydrophobicContact CE2-CG1 3.76Å; F126-V178 HydrophobicContact CE2-CG2 3.81Å; F126-V178 HydrophobicContact CZ-CG1 3.77Å; F126-V178 HydrophobicContact CZ-CG2 4.46Å; R174-V178 HydrophobicContact CG-CG2 4.24Å; R174-V178 VanDerWaalsContact O-CG2 3.23Å; R174-V178 WeakPolarHBondContact O-CG2 3.44Å; R174-V178 PolarHBondContact O-N 3.04Å; E175-V178 PolarHBondContact O-N 3.06Å; V178-H180 VanDerWaalsContact C-N 3.3Å; V178-H180 PolarHBondContact O-N 3.35Å; V178-I181 WeakPolarHBondContact O-CB 3.25Å; V178-I181 PolarHBondContact O-N 3.12Å; V178-I181 VanDerWaalsContact O-N 3.11Å; V178-V182 WeakPolarHBondContact O-CG2 3.39Å; V178-V182 PolarHBondContact O-N 3.4Å; V178-N194 HydrophobicContact CG1-CB 4.3Å; V178-N194 WeakPolarHBondContact CG1-OD1 3.34Å
179H89.1Confident89.8Confident97 Ų9756.8 Ų56.845%0.44929%0.286SS..Hα-helixtrans-58.8-42.5176.7-178.1-98.4000111.5E175 I181 V182 Q183E175-H179 VanDerWaalsContact O-CB 3.23Å; E175-H179 WeakPolarHBondContact O-CB 3.5Å; E175-H179 PolarHBondContact O-N 3.41Å; H179-I181 PolarHBondContact O-N 3.47Å; H179-V182 PolarHBondContact O-N 2.96Å; H179-Q183 PolarHBondContact CE1-NE2 2.9Å; H179-Q183 PolarHBondContact CE1-OE1 2.9Å; H179-Q183 PolarHBondContact ND1-OE1 2.84Å; H179-Q183 PolarHBondContact NE2-NE2 2.97Å; H179-Q183 WeakPolarHBondContact O-CB 3.42Å; H179-Q183 VanDerWaalsContact O-CG 3.31Å; H179-Q183 WeakPolarHBondContact O-CG 3.41Å; H179-Q183 PolarHBondContact O-N 3.18Å
180H90.7Very high90Very high17 Ų1750.1 Ų50.18%0.07927%0.272CS..Hα-helixtrans-60.1-42.4173.8178.172.2000112.6A7 Y45 H176 L177 V178 Q183 S184A7-H180 PolarHBondContact O-NE2 3.4Å; Y45-H180 AromaticContact CD1-CD2 3.87Å; Y45-H180 HydrophobicContact CD2-CB 4.47Å; Y45-H180 AromaticContact CD2-CD2 3.54Å; Y45-H180 AromaticContact CD2-CE1 3.45Å; Y45-H180 VanDerWaalsContact CD2-CE1 3.45Å; Y45-H180 WeakPolarHBondContact CD2-CE1 3.37Å; Y45-H180 AromaticContact CD2-CG 3.6Å; Y45-H180 AromaticContact CD2-ND1 3.56Å; Y45-H180 AromaticContact CD2-NE2 3.43Å; Y45-H180 WeakPolarHBondContact CD2-NE2 3.31Å; Y45-H180 HydrophobicContact CE1-CB 4.11Å; Y45-H180 HydrophobicContact CE2-CB 3.78Å; Y45-H180 AromaticContact CE2-CD2 3.74Å; Y45-H180 AromaticContact CE2-CE1 3.81Å; Y45-H180 AromaticContact CE2-CG 3.33Å; Y45-H180 AromaticContact CE2-ND1 3.39Å; Y45-H180 WeakPolarHBondContact CE2-ND1 3.26Å; Y45-H180 AromaticContact CG-CD2 3.6Å; Y45-H180 AromaticContact CG-NE2 3.63Å; Y45-H180 AromaticContact CZ-CD2 3.99Å; Y45-H180 AromaticContact CZ-CG 3.59Å; H176-H180 WeakPolarHBondContact O-CB 3.34Å; H176-H180 PolarHBondContact O-N 3.38Å; L177-H180 WeakPolarHBondContact O-CB 3.38Å; L177-H180 PolarHBondContact O-N 3.2Å; V178-H180 VanDerWaalsContact C-N 3.3Å; V178-H180 PolarHBondContact O-N 3.35Å; H180-Q183 PolarHBondContact O-N 3.06Å; H180-S184 WeakPolarHBondContact O-CB 3.24Å; H180-S184 PolarHBondContact O-N 2.92Å; H180-S184 PolarHBondContact O-OG 3.33Å
181I91.5Very high90.3Very high7 Ų748.9 Ų48.94%0.03626%0.26CS..Hα-helixtrans-61.3-49.1175.8-68.6167.6000110.1L11 M119 L177 V178 H179 Q183 S184 Q185L11-I181 HydrophobicContact CD1-CG2 4Å; L11-I181 HydrophobicContact CD2-CG2 4.14Å; L11-I181 HydrophobicContact CG-CG2 4.21Å; M119-I181 HydrophobicContact CE-CD1 4.35Å; L177-I181 HydrophobicContact CD1-CD1 4.09Å; L177-I181 HydrophobicContact CD1-CG1 4.36Å; L177-I181 HydrophobicContact CG-CD1 4.23Å; L177-I181 WeakPolarHBondContact O-CG1 3.39Å; L177-I181 PolarHBondContact O-N 2.72Å; V178-I181 WeakPolarHBondContact O-CB 3.25Å; V178-I181 PolarHBondContact O-N 3.12Å; V178-I181 VanDerWaalsContact O-N 3.11Å; H179-I181 PolarHBondContact O-N 3.47Å; I181-Q183 PolarHBondContact O-N 3.48Å; I181-S184 WeakPolarHBondContact O-CB 3.31Å; I181-S184 PolarHBondContact O-N 3.12Å; I181-Q185 PolarHBondContact O-NE2 3.48Å
182V92.1Very high90.4Very high21 Ų2153.3 Ų53.313%0.12728%0.283CS..Hα-helixtrans-61.4-46.2179.5176.80000111.3V178 H179 S184 Q185 L192 N194 C197V178-V182 WeakPolarHBondContact O-CG2 3.39Å; V178-V182 PolarHBondContact O-N 3.4Å; H179-V182 PolarHBondContact O-N 2.96Å; V182-S184 PolarHBondContact O-N 2.7Å; V182-Q185 WeakPolarHBondContact O-CB 3.29Å; V182-Q185 PolarHBondContact O-N 3.05Å; V182-Q185 VanDerWaalsContact O-N 3.08Å; V182-L192 WeakPolarHBondContact CG1-O 3.49Å; V182-N194 WeakPolarHBondContact CG2-OD1 3.41Å; V182-C197 HydrophobicContact CG2-CB 4.19Å
183Q92.6Very high90.6Very high131 Ų13154.4 Ų54.461%0.61229%0.29SS*.Hα-helixtrans-66.2-21.7178.7-72-169.6-4200113.9H179 H180 I181 Q185H179-Q183 PolarHBondContact CE1-NE2 2.9Å; H179-Q183 PolarHBondContact CE1-OE1 2.9Å; H179-Q183 PolarHBondContact ND1-OE1 2.84Å; H179-Q183 PolarHBondContact NE2-NE2 2.97Å; H179-Q183 WeakPolarHBondContact O-CB 3.42Å; H179-Q183 VanDerWaalsContact O-CG 3.31Å; H179-Q183 WeakPolarHBondContact O-CG 3.41Å; H179-Q183 PolarHBondContact O-N 3.18Å; H180-Q183 PolarHBondContact O-N 3.06Å; I181-Q183 PolarHBondContact O-N 3.48Å; Q183-Q185 VanDerWaalsContact C-N 3.26Å
184S91.9Very high90.7Very high21 Ų2156 Ų5615%0.14730%0.297CS..THydrogen-bonded Turntrans-79.3-7.2175.8-63.20000113.2H180 I181 V182H180-S184 WeakPolarHBondContact O-CB 3.24Å; H180-S184 PolarHBondContact O-N 2.92Å; H180-S184 PolarHBondContact O-OG 3.33Å; I181-S184 WeakPolarHBondContact O-CB 3.31Å; I181-S184 PolarHBondContact O-N 3.12Å; V182-S184 PolarHBondContact O-N 2.7Å
185Q94.2Very high90.9Very high13 Ų1360.5 Ų60.56%0.06132%0.319CS..SBendtrans-80.8134.9-179.3-57-41.3-64.800110.7L9 I181 V182 Q183 L191L9-Q185 PolarHBondContact O-NE2 2.95Å; I181-Q185 PolarHBondContact O-NE2 3.48Å; V182-Q185 WeakPolarHBondContact O-CB 3.29Å; V182-Q185 PolarHBondContact O-N 3.05Å; V182-Q185 VanDerWaalsContact O-N 3.08Å; Q183-Q185 VanDerWaalsContact C-N 3.26Å; Q185-L191 HydrophobicContact CB-CB 4.2Å; Q185-L191 WeakPolarHBondContact CB-O 3.47Å; Q185-L191 HydrophobicContact CG-CB 3.9Å
186P92.8Very high91.2Very high31 Ų3157 Ų5720%0.20130%0.303CS..  trans-67.1143.1176.729.1-33.2000109.5E188 S189P186-E188 WeakPolarHBondContact CB-OE1 3.24Å; P186-E188 PolarHBondContact O-N 3.28Å; P186-E188 VanDerWaalsContact O-N 3.09Å; P186-S189 WeakPolarHBondContact O-CB 3.48Å; P186-S189 PolarHBondContact O-N 3.32Å; P186-S189 PolarHBondContact O-OG 3.43Å
187P90.6Very high91.4Very high107 Ų10752 Ų5270%0.69528%0.28SS*.G310 helixtrans-54.1-34.4-174.6-28.335.6000114.3S189P187-S189 PolarHBondContact O-N 3.46Å
188E92.8Very high91.6Very high162 Ų16252.4 Ų52.476%0.75728%0.283SS*.G310 helixtrans-72.8-9.7178.867.3-86.2-163.300114.5P186 G190P186-E188 WeakPolarHBondContact CB-OE1 3.24Å; P186-E188 PolarHBondContact O-N 3.28Å; P186-E188 VanDerWaalsContact O-N 3.09Å; E188-G190 VanDerWaalsContact C-N 3.27Å; E188-G190 PolarHBondContact O-N 2.89Å
189S91.9Very high91.8Very high13 Ų1358 Ų589%0.09131%0.308CS..G310 helixtrans-67.6-26178.4650000113.4Y12 P186 P187 L191Y12-S189 VanDerWaalsContact CE2-O 3.24Å; Y12-S189 WeakPolarHBondContact CE2-O 3.48Å; Y12-S189 PolarHBondContact OH-O 2.93Å; P186-S189 WeakPolarHBondContact O-CB 3.48Å; P186-S189 PolarHBondContact O-N 3.32Å; P186-S189 PolarHBondContact O-OG 3.43Å; P187-S189 PolarHBondContact O-N 3.46Å; S189-L191 PolarHBondContact O-N 3.22Å; S189-L191 PolarHBondContact OG-N 2.97Å; S189-L191 VanDerWaalsContact OG-N 3.09Å
190G92.5Very high92Very high38 Ų3854.1 Ų54.139%0.39229%0.29SS..SBendtrans69.77.4-167.900000114.4E188 L192 Q196E188-G190 VanDerWaalsContact C-N 3.27Å; E188-G190 PolarHBondContact O-N 2.89Å; G190-L192 PolarHBondContact O-N 3.22Å; G190-Q196 PolarHBondContact O-NE2 3.21Å; G190-Q196 PolarHBondContact O-OE1 2.95Å
191L93.1Very high92.2Very high9 Ų953.9 Ų53.95%0.04729%0.29CS..  trans-97.566177.8-58.9-179.5000110.2L11 Y12 Q185 S189 Q196 F200L11-L191 HydrophobicContact CB-CD1 4.04Å; L11-L191 HydrophobicContact CD1-CD1 4.16Å; Y12-L191 HydrophobicContact CD2-CD1 3.81Å; Y12-L191 HydrophobicContact CD2-CG 4.44Å; Y12-L191 HydrophobicContact CE2-CD1 3.6Å; Y12-L191 HydrophobicContact CE2-CG 3.82Å; Q185-L191 HydrophobicContact CB-CB 4.2Å; Q185-L191 WeakPolarHBondContact CB-O 3.47Å; Q185-L191 HydrophobicContact CG-CB 3.9Å; S189-L191 PolarHBondContact O-N 3.22Å; S189-L191 PolarHBondContact OG-N 2.97Å; S189-L191 VanDerWaalsContact OG-N 3.09Å; L191-Q196 HydrophobicContact CD2-CB 4.17Å; L191-F200 HydrophobicContact CD1-CB 4.11Å; L191-F200 HydrophobicContact CD1-CD1 3.85Å; L191-F200 HydrophobicContact CD1-CD2 4.29Å; L191-F200 HydrophobicContact CD1-CE1 4.37Å; L191-F200 HydrophobicContact CD1-CG 3.8Å; L191-F200 HydrophobicContact CD2-CB 3.66Å; L191-F200 HydrophobicContact CD2-CD2 4.2Å; L191-F200 HydrophobicContact CD2-CG 3.99Å
192L92.5Very high92.3Very high104 Ų10456 Ų5655%0.54530%0.302SS..  trans-99.6-10.2-169.6-55.8-179.4000113.5V182 G190V182-L192 WeakPolarHBondContact CG1-O 3.49Å; G190-L192 PolarHBondContact O-N 3.22Å
193T91.2Very high92.5Very high54 Ų5458 Ų5833%0.33132%0.317SS..SBendtrans-122.4164.417884.40000112.2E195 Q196 C197T193-E195 VanDerWaalsContact C-N 3.27Å; T193-E195 VanDerWaalsContact CB-OE2 3.27Å; T193-E195 WeakPolarHBondContact CB-OE2 3.27Å; T193-E195 PolarHBondContact O-N 3.35Å; T193-E195 PolarHBondContact OG1-N 2.99Å; T193-E195 PolarHBondContact OG1-OE2 2.92Å; T193-Q196 VanDerWaalsContact N-OE1 3.09Å; T193-Q196 PolarHBondContact O-N 3.39Å; T193-Q196 PolarHBondContact OG1-N 3.37Å; T193-C197 PolarHBondContact O-N 2.92Å; T193-C197 PolarHBondContact O-SG 3.43Å
194N89.4Confident92.7Very high58 Ų5855.9 Ų55.931%0.3131%0.308SS..Hα-helixtrans-58-42174-68.1-11.5000111.4F126 V178 V182 S198F126-N194 HydrophobicContact CD1-CB 4.36Å; F126-N194 HydrophobicContact CE1-CB 3.47Å; F126-N194 VanDerWaalsContact CE1-CB 3.47Å; F126-N194 HydrophobicContact CZ-CB 3.6Å; V178-N194 HydrophobicContact CG1-CB 4.3Å; V178-N194 WeakPolarHBondContact CG1-OD1 3.34Å; V182-N194 WeakPolarHBondContact CG2-OD1 3.41Å; N194-S198 VanDerWaalsContact O-CB 3.23Å; N194-S198 WeakPolarHBondContact O-CB 3.42Å; N194-S198 PolarHBondContact O-N 3.35Å
195E89.2Confident92.9Very high118 Ų11855 Ų5555%0.55130%0.301SS*.Hα-helixtrans-64.4-47-179.1-60.671-15400110.8T193 S198 E199T193-E195 VanDerWaalsContact C-N 3.27Å; T193-E195 VanDerWaalsContact CB-OE2 3.27Å; T193-E195 WeakPolarHBondContact CB-OE2 3.27Å; T193-E195 PolarHBondContact O-N 3.35Å; T193-E195 PolarHBondContact OG1-N 2.99Å; T193-E195 PolarHBondContact OG1-OE2 2.92Å; E195-S198 PolarHBondContact O-N 2.98Å; E195-E199 VanDerWaalsContact O-CB 3.3Å; E195-E199 WeakPolarHBondContact O-CB 3.4Å; E195-E199 PolarHBondContact O-N 2.64Å
196Q92.4Very high93Very high73 Ų7354.9 Ų54.934%0.34130%0.301SS..Hα-helixtrans-63.3-45.4178.8-67.6173.1-37.400111.5G190 L191 T193 S198 E199 F200G190-Q196 PolarHBondContact O-NE2 3.21Å; G190-Q196 PolarHBondContact O-OE1 2.95Å; L191-Q196 HydrophobicContact CD2-CB 4.17Å; T193-Q196 VanDerWaalsContact N-OE1 3.09Å; T193-Q196 PolarHBondContact O-N 3.39Å; T193-Q196 PolarHBondContact OG1-N 3.37Å; Q196-S198 PolarHBondContact O-N 3.34Å; Q196-E199 PolarHBondContact O-N 3.08Å; Q196-F200 VanDerWaalsContact O-CB 3.32Å; Q196-F200 WeakPolarHBondContact O-CB 3.48Å; Q196-F200 PolarHBondContact O-N 3.41Å
197C92.6Very high93.2Very high4 Ų456.4 Ų56.43%0.02731%0.311CS..Hα-helixtrans-62.6-42.5176.1-74.30000111.9L11 V182 T193 L201L11-C197 HydrophobicContact CD1-CB 3.93Å; V182-C197 HydrophobicContact CG2-CB 4.19Å; T193-C197 PolarHBondContact O-N 2.92Å; T193-C197 PolarHBondContact O-SG 3.43Å; C197-L201 VanDerWaalsContact O-CB 3.31Å; C197-L201 WeakPolarHBondContact O-CB 3.2Å; C197-L201 WeakPolarHBondContact O-CG 3.38Å; C197-L201 PolarHBondContact O-N 3.23Å
198S91.6Very high93.6Very high9 Ų952.2 Ų52.26%0.06328%0.283CS..Hα-helixtrans-66.7-43.9179-171.20000111.9N194 E195 Q196 L201 T202N194-S198 VanDerWaalsContact O-CB 3.23Å; N194-S198 WeakPolarHBondContact O-CB 3.42Å; N194-S198 PolarHBondContact O-N 3.35Å; E195-S198 PolarHBondContact O-N 2.98Å; Q196-S198 PolarHBondContact O-N 3.34Å; S198-L201 PolarHBondContact O-N 2.9Å; S198-T202 WeakPolarHBondContact O-CB 3.35Å; S198-T202 VanDerWaalsContact O-CG2 3.32Å; S198-T202 WeakPolarHBondContact O-CG2 3.3Å; S198-T202 PolarHBondContact O-N 3.49Å; S198-T202 PolarHBondContact O-OG1 3.4Å
199E92.4Very high93.9Very high130 Ų13044.7 Ų44.761%0.60725%0.248SC*.Hα-helixtrans-61.2-45.4175.7-177.9174.6-173.700111.1E195 Q196 T202 S203E195-E199 VanDerWaalsContact O-CB 3.3Å; E195-E199 WeakPolarHBondContact O-CB 3.4Å; E195-E199 PolarHBondContact O-N 2.64Å; Q196-E199 PolarHBondContact O-N 3.08Å; E199-T202 PolarHBondContact O-N 2.92Å; E199-T202 PolarHBondContact O-OG1 2.71Å; E199-S203 WeakPolarHBondContact O-CB 3.3Å; E199-S203 PolarHBondContact O-N 2.83Å; E199-S203 PolarHBondContact O-OG 3Å
200F95.1Very high94.2Very high16 Ų1646.8 Ų46.87%0.0725%0.254CS..Hα-helixtrans-64.5-45178.1-173-92.6000112.3L11 Y12 Y15 L191 Q196 T202 H204 T205L11-F200 HydrophobicContact CB-CD1 3.9Å; L11-F200 HydrophobicContact CB-CE1 3.99Å; Y12-F200 HydrophobicContact CD1-CE1 4.42Å; Y12-F200 AromaticContact CD1-CE2 3.82Å; Y12-F200 HydrophobicContact CD1-CE2 3.82Å; Y12-F200 AromaticContact CD1-CZ 3.48Å; Y12-F200 HydrophobicContact CD1-CZ 3.48Å; Y12-F200 VanDerWaalsContact CD1-CZ 3.48Å; Y12-F200 HydrophobicContact CD2-CZ 4.39Å; Y12-F200 HydrophobicContact CE1-CD2 4.36Å; Y12-F200 AromaticContact CE1-CE2 3.36Å; Y12-F200 HydrophobicContact CE1-CE2 3.36Å; Y12-F200 AromaticContact CE1-CZ 3.56Å; Y12-F200 HydrophobicContact CE1-CZ 3.56Å; Y12-F200 HydrophobicContact CE2-CE2 4.28Å; Y12-F200 HydrophobicContact CE2-CZ 4.45Å; Y12-F200 HydrophobicContact CG-CE1 4.47Å; Y12-F200 HydrophobicContact CG-CE2 4.46Å; Y12-F200 AromaticContact CG-CZ 3.93Å; Y12-F200 HydrophobicContact CG-CZ 3.93Å; Y12-F200 AromaticContact CZ-CE2 3.63Å; Y15-F200 HydrophobicContact CD1-CZ 4.27Å; Y15-F200 HydrophobicContact CG-CZ 4.15Å; L191-F200 HydrophobicContact CD1-CB 4.11Å; L191-F200 HydrophobicContact CD1-CD1 3.85Å; L191-F200 HydrophobicContact CD1-CD2 4.29Å; L191-F200 HydrophobicContact CD1-CE1 4.37Å; L191-F200 HydrophobicContact CD1-CG 3.8Å; L191-F200 HydrophobicContact CD2-CB 3.66Å; L191-F200 HydrophobicContact CD2-CD2 4.2Å; L191-F200 HydrophobicContact CD2-CG 3.99Å; Q196-F200 VanDerWaalsContact O-CB 3.32Å; Q196-F200 WeakPolarHBondContact O-CB 3.48Å; Q196-F200 PolarHBondContact O-N 3.41Å; F200-T202 PolarHBondContact O-N 2.72Å; F200-H204 AromaticContact CD2-CD2 3.62Å; F200-H204 HydrophobicContact CE2-CB 4.34Å; F200-H204 AromaticContact CE2-CD2 3.89Å; F200-H204 HydrophobicContact CZ-CB 4.43Å; F200-H204 WeakPolarHBondContact O-CB 2.85Å; F200-H204 PolarHBondContact O-N 2.9Å; F200-T205 WeakPolarHBondContact CD1-OG1 3.36Å; F200-T205 VanDerWaalsContact CE1-OG1 3.27Å; F200-T205 WeakPolarHBondContact CE1-OG1 3.48Å; F200-T205 PolarHBondContact O-N 2.82Å
201L94.3Very high94.4Very high13 Ų1350 Ų507%0.06826%0.257CS..Iπ-helixtrans-57.7-49.9175.1-84.4169.2000111.6L11 C197 S198 T205 L206L11-L201 HydrophobicContact CD1-CD1 4.27Å; L11-L201 HydrophobicContact CD1-CD2 4.48Å; L11-L201 HydrophobicContact CD1-CG 3.96Å; L11-L201 HydrophobicContact CD2-CD1 4.3Å; L11-L201 HydrophobicContact CD2-CD2 3.56Å; L11-L201 HydrophobicContact CD2-CG 3.96Å; C197-L201 VanDerWaalsContact O-CB 3.31Å; C197-L201 WeakPolarHBondContact O-CB 3.2Å; C197-L201 WeakPolarHBondContact O-CG 3.38Å; C197-L201 PolarHBondContact O-N 3.23Å; S198-L201 PolarHBondContact O-N 2.9Å; L201-T205 HydrophobicContact CD2-CG2 4.16Å; L201-T205 PolarHBondContact O-N 2.87Å; L201-L206 WeakPolarHBondContact O-CB 3.38Å; L201-L206 WeakPolarHBondContact O-CG 3.49Å; L201-L206 PolarHBondContact O-N 3.27Å
202T93.9Very high94.7Very high50 Ų5049.6 Ų49.631%0.30726%0.255SS..Iπ-helixtrans-74.9-35.1-174.2530000113.2C123 S198 E199 F200 P207C123-T202 HydrophobicContact CB-CG2 3.55Å; S198-T202 WeakPolarHBondContact O-CB 3.35Å; S198-T202 VanDerWaalsContact O-CG2 3.32Å; S198-T202 WeakPolarHBondContact O-CG2 3.3Å; S198-T202 PolarHBondContact O-N 3.49Å; S198-T202 PolarHBondContact O-OG1 3.4Å; E199-T202 PolarHBondContact O-N 2.92Å; E199-T202 PolarHBondContact O-OG1 2.71Å; F200-T202 PolarHBondContact O-N 2.72Å; T202-P207 VanDerWaalsContact O-CD 3.27Å; T202-P207 WeakPolarHBondContact O-CD 3.48Å; T202-P207 VanDerWaalsContact O-CG 3.26Å; T202-P207 WeakPolarHBondContact O-CG 3.46Å
203S95Very high95Very high63 Ų6346 Ų4644%0.44124%0.235SC..Iπ-helixtrans-89.8-23.4-175.8-54.80000113.6E199E199-S203 WeakPolarHBondContact O-CB 3.3Å; E199-S203 PolarHBondContact O-N 2.83Å; E199-S203 PolarHBondContact O-OG 3Å
204H96.4Very high95.3Very high88 Ų8847.6 Ų47.641%0.40724%0.241SC..Iπ-helixtrans-128.4-59.7-173.7-56.6-57.3000113.3Y15 F200 P207 V208Y15-H204 HydrophobicContact CD2-CB 3.88Å; Y15-H204 HydrophobicContact CE2-CB 3.88Å; F200-H204 AromaticContact CD2-CD2 3.62Å; F200-H204 HydrophobicContact CE2-CB 4.34Å; F200-H204 AromaticContact CE2-CD2 3.89Å; F200-H204 HydrophobicContact CZ-CB 4.43Å; F200-H204 WeakPolarHBondContact O-CB 2.85Å; F200-H204 PolarHBondContact O-N 2.9Å; H204-P207 WeakPolarHBondContact O-CD 3.49Å; H204-V208 PolarHBondContact O-N 3.27Å
205T96.8Very high95.7Very high1 Ų145.5 Ų45.51%0.00623%0.231CC..Iπ-helixtrans-68.4-52.8-169.7-51.40000113.1V14 F200 L201 V208 M209V14-T205 HydrophobicContact CB-CG2 4.25Å; V14-T205 HydrophobicContact CG1-CG2 3.65Å; F200-T205 WeakPolarHBondContact CD1-OG1 3.36Å; F200-T205 VanDerWaalsContact CE1-OG1 3.27Å; F200-T205 WeakPolarHBondContact CE1-OG1 3.48Å; F200-T205 PolarHBondContact O-N 2.82Å; L201-T205 HydrophobicContact CD2-CG2 4.16Å; L201-T205 PolarHBondContact O-N 2.87Å; T205-V208 WeakPolarHBondContact O-CG1 3.41Å; T205-V208 PolarHBondContact O-N 3.3Å; T205-M209 HydrophobicContact CG2-SD 3.97Å; T205-M209 VanDerWaalsContact O-CG 3.3Å; T205-M209 WeakPolarHBondContact O-CG 3.24Å; T205-M209 PolarHBondContact O-N 3.12Å
206L96.8Very high96.2Very high11 Ų1139.9 Ų39.96%0.05820%0.204CC..Hα-helixtrans-65.1-40.6-179.2-63173.2000112.5I116 M119 Q120 L201 V208 M209 R210I116-L206 HydrophobicContact CG2-CD2 4.19Å; M119-L206 HydrophobicContact CB-CD1 4.24Å; M119-L206 HydrophobicContact CB-CD2 3.62Å; M119-L206 HydrophobicContact CG-CD2 4.46Å; Q120-L206 HydrophobicContact CB-CD1 4.21Å; L201-L206 WeakPolarHBondContact O-CB 3.38Å; L201-L206 WeakPolarHBondContact O-CG 3.49Å; L201-L206 PolarHBondContact O-N 3.27Å; L206-V208 PolarHBondContact O-N 3.42Å; L206-M209 HydrophobicContact CD2-SD 4.26Å; L206-M209 PolarHBondContact O-N 2.91Å; L206-R210 VanDerWaalsContact O-CB 3.28Å; L206-R210 WeakPolarHBondContact O-CB 3.41Å; L206-R210 PolarHBondContact O-N 2.55Å
207P97.7Very high96.5Very high64 Ų6438.6 Ų38.642%0.41620%0.198SC..Hα-helixtrans-57-42.8172-29.736.9000114.1T202 H204 R210 K211T202-P207 VanDerWaalsContact O-CD 3.27Å; T202-P207 WeakPolarHBondContact O-CD 3.48Å; T202-P207 VanDerWaalsContact O-CG 3.26Å; T202-P207 WeakPolarHBondContact O-CG 3.46Å; H204-P207 WeakPolarHBondContact O-CD 3.49Å; P207-R210 PolarHBondContact O-N 2.63Å; P207-K211 PolarHBondContact O-N 3.21Å
208V98Very high96.7Very high18 Ų1841 Ų4111%0.10922%0.218CC..Hα-helixtrans-72-39.1179.371.60000112.2Y15 F18 K19 H204 T205 L206 R210 K211 V212Y15-V208 HydrophobicContact CD2-CB 4.43Å; Y15-V208 HydrophobicContact CD2-CG1 3.65Å; Y15-V208 HydrophobicContact CE2-CB 4.4Å; Y15-V208 HydrophobicContact CE2-CG1 4.09Å; F18-V208 HydrophobicContact CB-CG1 3.86Å; F18-V208 HydrophobicContact CB-CG2 4.34Å; K19-V208 HydrophobicContact CB-CG2 4.09Å; H204-V208 PolarHBondContact O-N 3.27Å; T205-V208 WeakPolarHBondContact O-CG1 3.41Å; T205-V208 PolarHBondContact O-N 3.3Å; L206-V208 PolarHBondContact O-N 3.42Å; V208-R210 VanDerWaalsContact C-N 3.3Å; V208-R210 PolarHBondContact O-N 3.19Å; V208-K211 WeakPolarHBondContact O-CB 3.35Å; V208-K211 PolarHBondContact O-N 3.15Å; V208-V212 PolarHBondContact O-N 2.96Å
209M98.3Very high97Very high4 Ų440.9 Ų40.92%0.0222%0.217CC..Hα-helixtrans-60-42.9172.5-69174.372.800111.2V14 F18 V39 L112 V115 I116 T205 L206 K211 V212 Y213V14-M209 HydrophobicContact CG1-SD 4.29Å; F18-M209 HydrophobicContact CB-CG 4.27Å; F18-M209 HydrophobicContact CD1-CB 4.28Å; F18-M209 HydrophobicContact CD1-CG 3.83Å; F18-M209 HydrophobicContact CD2-CG 3.66Å; F18-M209 HydrophobicContact CD2-SD 4.44Å; F18-M209 HydrophobicContact CE1-CB 4.46Å; F18-M209 HydrophobicContact CE1-CG 4.05Å; F18-M209 HydrophobicContact CE2-CE 4.06Å; F18-M209 HydrophobicContact CE2-CG 3.9Å; F18-M209 HydrophobicContact CE2-SD 4.32Å; F18-M209 HydrophobicContact CG-CG 3.64Å; F18-M209 HydrophobicContact CZ-CE 4Å; F18-M209 HydrophobicContact CZ-CG 4.09Å; V39-M209 HydrophobicContact CG2-CE 3.99Å; L112-M209 HydrophobicContact CD1-CE 3.69Å; V115-M209 HydrophobicContact CG1-CE 4.15Å; I116-M209 HydrophobicContact CD1-CB 3.91Å; I116-M209 HydrophobicContact CG1-CB 3.87Å; I116-M209 HydrophobicContact CG1-CE 3.85Å; T205-M209 HydrophobicContact CG2-SD 3.97Å; T205-M209 VanDerWaalsContact O-CG 3.3Å; T205-M209 WeakPolarHBondContact O-CG 3.24Å; T205-M209 PolarHBondContact O-N 3.12Å; L206-M209 HydrophobicContact CD2-SD 4.26Å; L206-M209 PolarHBondContact O-N 2.91Å; M209-K211 VanDerWaalsContact C-N 3.34Å; M209-K211 PolarHBondContact O-N 2.7Å; M209-V212 PolarHBondContact O-N 3.19Å; M209-Y213 WeakPolarHBondContact O-CB 3.36Å; M209-Y213 PolarHBondContact O-N 3.11Å
210R98.2Very high97.3Very high57 Ų5734.7 Ų34.722%0.21519%0.188CC..Hα-helixtrans-62.6-39.6175.5-17864.766.7-165.35.1111.9D117 L206 P207 V208 Y213 N214D117-R210 IonicContact OD1-CZ 3.54Å; D117-R210 IonicContact OD1-NH1 3.46Å; D117-R210 IonicContact OD1-NH2 2.75Å; D117-R210 PolarHBondContact OD1-NH2 3.22Å; L206-R210 VanDerWaalsContact O-CB 3.28Å; L206-R210 WeakPolarHBondContact O-CB 3.41Å; L206-R210 PolarHBondContact O-N 2.55Å; P207-R210 PolarHBondContact O-N 2.63Å; V208-R210 VanDerWaalsContact C-N 3.3Å; V208-R210 PolarHBondContact O-N 3.19Å; R210-Y213 PolarHBondContact O-N 3.08Å; R210-N214 WeakPolarHBondContact O-CB 3.39Å; R210-N214 PolarHBondContact O-N 3.44Å; R210-N214 PolarHBondContact O-OD1 3.4Å
211K98.2Very high97.3Very high106 Ų10640 Ų4046%0.46121%0.214SC..Hα-helixtrans-59.9-49.7175-176.6175.7-179.9179.50111.2V22 P207 V208 M209 Y213 N214 C215V22-K211 HydrophobicContact CG1-CD 4.19Å; V22-K211 HydrophobicContact CG2-CD 4.17Å; V22-K211 HydrophobicContact CG2-CG 4.37Å; P207-K211 PolarHBondContact O-N 3.21Å; V208-K211 WeakPolarHBondContact O-CB 3.35Å; V208-K211 PolarHBondContact O-N 3.15Å; M209-K211 VanDerWaalsContact C-N 3.34Å; M209-K211 PolarHBondContact O-N 2.7Å; K211-Y213 VanDerWaalsContact C-N 3.35Å; K211-Y213 PolarHBondContact O-N 3.18Å; K211-N214 PolarHBondContact O-N 2.82Å; K211-C215 PolarHBondContact O-N 3.2Å; K211-C215 PolarHBondContact O-SG 2.86Å; K211-C215 VanDerWaalsContact O-SG 3.38Å
212V98.6Very high97.4Very high0 Ų046.1 Ų46.10%024%0.24CC..Hα-helixtrans-58.5-46.5176.7172.10000111.2F18 C21 V22 V27 Y32 V208 M209 N214 C215 I216F18-V212 HydrophobicContact CD1-CB 4.18Å; F18-V212 HydrophobicContact CD1-CG1 4.29Å; F18-V212 HydrophobicContact CD1-CG2 4.09Å; F18-V212 HydrophobicContact CE1-CG1 4.49Å; F18-V212 WeakPolarHBondContact O-CG2 3.22Å; C21-V212 HydrophobicContact CB-CG1 4.32Å; C21-V212 HydrophobicContact CB-CG2 3.74Å; V22-V212 HydrophobicContact CG2-CG2 3.71Å; V27-V212 HydrophobicContact CG1-CG1 4.21Å; V27-V212 HydrophobicContact CG2-CG1 4.03Å; Y32-V212 HydrophobicContact CD2-CG1 3.83Å; Y32-V212 HydrophobicContact CE2-CG1 4.05Å; V208-V212 PolarHBondContact O-N 2.96Å; M209-V212 PolarHBondContact O-N 3.19Å; V212-N214 VanDerWaalsContact C-N 3.35Å; V212-N214 PolarHBondContact O-N 3.29Å; V212-C215 PolarHBondContact O-N 3.35Å; V212-I216 HydrophobicContact CG1-CD1 4.12Å; V212-I216 WeakPolarHBondContact O-CG1 3.43Å; V212-I216 PolarHBondContact O-N 3.38Å; V212-I216 VanDerWaalsContact O-N 3.11Å
213Y98.6Very high97.4Very high30 Ų3044.9 Ų44.912%0.11823%0.23CC..Hα-helixtrans-55.5-48.7174.5176.1-88.7000111.5H109 L113 M209 R210 K211 C215 I216 Q217H109-Y213 AromaticContact CE1-CD2 3.17Å; H109-Y213 WeakPolarHBondContact CE1-CD2 3.26Å; H109-Y213 AromaticContact CE1-CE2 3.01Å; H109-Y213 WeakPolarHBondContact CE1-CE2 3.43Å; H109-Y213 AromaticContact CE1-CG 3.75Å; H109-Y213 AromaticContact CE1-CZ 3.51Å; H109-Y213 PolarHBondContact CE1-O 2.87Å; H109-Y213 VanDerWaalsContact CE1-O 3.26Å; H109-Y213 AromaticContact ND1-CD2 3.36Å; H109-Y213 WeakPolarHBondContact ND1-CD2 3.47Å; H109-Y213 AromaticContact ND1-CE2 3.47Å; H109-Y213 WeakPolarHBondContact ND1-CE2 3.28Å; H109-Y213 AromaticContact NE2-CE2 3.39Å; H109-Y213 WeakPolarHBondContact NE2-CE2 3.49Å; H109-Y213 AromaticContact NE2-CZ 3.63Å; H109-Y213 WeakPolarHBondContact O-CE2 3.44Å; L113-Y213 HydrophobicContact CB-CD2 4.19Å; L113-Y213 HydrophobicContact CB-CE2 3.58Å; L113-Y213 HydrophobicContact CD1-CE1 4.34Å; L113-Y213 HydrophobicContact CD1-CE2 4.35Å; L113-Y213 HydrophobicContact CD2-CE2 4.45Å; L113-Y213 HydrophobicContact CG-CE2 4.34Å; M209-Y213 WeakPolarHBondContact O-CB 3.36Å; M209-Y213 PolarHBondContact O-N 3.11Å; R210-Y213 PolarHBondContact O-N 3.08Å; K211-Y213 VanDerWaalsContact C-N 3.35Å; K211-Y213 PolarHBondContact O-N 3.18Å; Y213-C215 PolarHBondContact O-N 3.42Å; Y213-I216 PolarHBondContact O-N 3.26Å; Y213-Q217 HydrophobicContact CE1-CB 4.37Å; Y213-Q217 VanDerWaalsContact O-CB 3.28Å; Y213-Q217 WeakPolarHBondContact O-CB 3.33Å; Y213-Q217 PolarHBondContact O-N 2.85Å
214N98.4Very high97.2Very high86 Ų8647.1 Ų47.146%0.4624%0.237SC..Hα-helixtrans-64.4-38.2-178.6-70.1-9.9000112.6R210 K211 V212 Q217 A218R210-N214 WeakPolarHBondContact O-CB 3.39Å; R210-N214 PolarHBondContact O-N 3.44Å; R210-N214 PolarHBondContact O-OD1 3.4Å; K211-N214 PolarHBondContact O-N 2.82Å; V212-N214 VanDerWaalsContact C-N 3.35Å; V212-N214 PolarHBondContact O-N 3.29Å; N214-Q217 PolarHBondContact O-N 3.39Å; N214-A218 WeakPolarHBondContact O-CB 3.31Å; N214-A218 PolarHBondContact O-N 2.75Å
215C98.2Very high97Very high15 Ų1543 Ų4310%0.10122%0.218CC..Hα-helixtrans-62.1-48.9174.9-68.90000111.3V27 K211 V212 Y213 Q217 A218 V219V27-C215 HydrophobicContact CG2-CB 3.67Å; K211-C215 PolarHBondContact O-N 3.2Å; K211-C215 PolarHBondContact O-SG 2.86Å; K211-C215 VanDerWaalsContact O-SG 3.38Å; V212-C215 PolarHBondContact O-N 3.35Å; Y213-C215 PolarHBondContact O-N 3.42Å; C215-Q217 VanDerWaalsContact C-N 3.33Å; C215-Q217 PolarHBondContact O-N 2.98Å; C215-A218 PolarHBondContact O-N 3.08Å; C215-V219 WeakPolarHBondContact O-CG2 3.33Å; C215-V219 PolarHBondContact O-N 2.79Å
216I98.5Very high96.8Very high0 Ų044.8 Ų44.80%023%0.228CC..Hα-helixtrans-61.9-44177.2-63.3172.8000110.7V27 Y32 V78 L105 H109 V212 Y213 A218 V219 F220V27-I216 HydrophobicContact CB-CG1 4.15Å; V27-I216 HydrophobicContact CG1-CD1 4.33Å; V27-I216 HydrophobicContact CG1-CG1 4.42Å; V27-I216 HydrophobicContact CG2-CG1 3.94Å; Y32-I216 HydrophobicContact CD2-CD1 3.72Å; Y32-I216 HydrophobicContact CE2-CD1 3.36Å; V78-I216 HydrophobicContact CG1-CG2 4.45Å; V78-I216 HydrophobicContact CG2-CG1 4.23Å; L105-I216 HydrophobicContact CD1-CD1 4.44Å; L105-I216 HydrophobicContact CD2-CG2 4.33Å; H109-I216 HydrophobicContact CB-CG2 4.2Å; V212-I216 HydrophobicContact CG1-CD1 4.12Å; V212-I216 WeakPolarHBondContact O-CG1 3.43Å; V212-I216 PolarHBondContact O-N 3.38Å; V212-I216 VanDerWaalsContact O-N 3.11Å; Y213-I216 PolarHBondContact O-N 3.26Å; I216-A218 VanDerWaalsContact C-N 3.33Å; I216-A218 PolarHBondContact O-N 2.71Å; I216-V219 PolarHBondContact O-N 3.02Å; I216-F220 HydrophobicContact CG2-CD1 4.17Å; I216-F220 HydrophobicContact CG2-CE1 4.12Å; I216-F220 HydrophobicContact CG2-CG 4.47Å; I216-F220 HydrophobicContact CG2-CZ 4.34Å; I216-F220 WeakPolarHBondContact O-CB 3.02Å; I216-F220 WeakPolarHBondContact O-CD1 3.1Å; I216-F220 PolarHBondContact O-N 2.95Å
217Q98.4Very high96.6Very high45 Ų4550.4 Ų50.421%0.2126%0.257CS..Hα-helixtrans-56.3-47.6177.1-178.664.929.800111H109 Y213 N214 C215 F220 E221H109-Q217 PolarHBondContact NE2-OE1 2.91Å; Y213-Q217 HydrophobicContact CE1-CB 4.37Å; Y213-Q217 VanDerWaalsContact O-CB 3.28Å; Y213-Q217 WeakPolarHBondContact O-CB 3.33Å; Y213-Q217 PolarHBondContact O-N 2.85Å; N214-Q217 PolarHBondContact O-N 3.39Å; C215-Q217 VanDerWaalsContact C-N 3.33Å; C215-Q217 PolarHBondContact O-N 2.98Å; Q217-F220 PolarHBondContact O-N 3.15Å; Q217-E221 VanDerWaalsContact O-CB 3.31Å; Q217-E221 WeakPolarHBondContact O-CB 3.46Å; Q217-E221 PolarHBondContact O-N 3.22Å
218A98.2Very high96.1Very high54 Ų5447.6 Ų47.645%0.44624%0.239SC..Hα-helixtrans-64.2-42.718000000112.5N214 C215 I216 E221 K222N214-A218 WeakPolarHBondContact O-CB 3.31Å; N214-A218 PolarHBondContact O-N 2.75Å; C215-A218 PolarHBondContact O-N 3.08Å; I216-A218 VanDerWaalsContact C-N 3.33Å; I216-A218 PolarHBondContact O-N 2.71Å; A218-E221 PolarHBondContact O-N 3.12Å; A218-K222 VanDerWaalsContact O-CB 3.24Å; A218-K222 WeakPolarHBondContact O-CB 3.19Å; A218-K222 PolarHBondContact O-N 2.68Å
219V97.7Very high95.3Very high7 Ų750.7 Ų50.74%0.04226%0.26CS..Hα-helixtrans-61.6-46174.8175.40000110.4V78 E79 V82 C215 I216 E221 K222 H223V78-V219 HydrophobicContact CG1-CB 4.38Å; V78-V219 HydrophobicContact CG1-CG1 4.11Å; E79-V219 HydrophobicContact CB-CG1 4.29Å; E79-V219 HydrophobicContact CB-CG2 4.38Å; V82-V219 HydrophobicContact CB-CG1 4.32Å; V82-V219 HydrophobicContact CG2-CG1 4.08Å; C215-V219 WeakPolarHBondContact O-CG2 3.33Å; C215-V219 PolarHBondContact O-N 2.79Å; I216-V219 PolarHBondContact O-N 3.02Å; V219-E221 PolarHBondContact O-N 3.41Å; V219-K222 PolarHBondContact O-N 3.45Å; V219-H223 PolarHBondContact O-CD2 3.02Å; V219-H223 PolarHBondContact O-N 3.25Å
220F97.1Very high95.2Very high0 Ų053.1 Ų53.10%027%0.272CS..Hα-helixtrans-70.1-34.3-177.1-81.130.3000112.6V78 V82 L105 L106 I216 Q217 D224 M225 L226V78-F220 HydrophobicContact CG1-CD1 4.22Å; V78-F220 HydrophobicContact CG1-CE1 3.64Å; V82-F220 HydrophobicContact CG2-CD1 4.07Å; V82-F220 HydrophobicContact CG2-CE1 3.71Å; L105-F220 HydrophobicContact CB-CZ 4.09Å; L105-F220 HydrophobicContact CD2-CE1 4.03Å; L105-F220 HydrophobicContact CD2-CZ 3.78Å; L105-F220 HydrophobicContact CG-CZ 3.94Å; L106-F220 HydrophobicContact CB-CD2 4.44Å; L106-F220 HydrophobicContact CB-CE2 3.79Å; L106-F220 HydrophobicContact CD1-CD2 3.81Å; L106-F220 HydrophobicContact CD1-CE2 3.99Å; L106-F220 HydrophobicContact CG-CE2 4.41Å; I216-F220 HydrophobicContact CG2-CD1 4.17Å; I216-F220 HydrophobicContact CG2-CE1 4.12Å; I216-F220 HydrophobicContact CG2-CG 4.47Å; I216-F220 HydrophobicContact CG2-CZ 4.34Å; I216-F220 WeakPolarHBondContact O-CB 3.02Å; I216-F220 WeakPolarHBondContact O-CD1 3.1Å; I216-F220 PolarHBondContact O-N 2.95Å; Q217-F220 PolarHBondContact O-N 3.15Å; F220-D224 PolarHBondContact O-N 2.75Å; F220-M225 HydrophobicContact CB-CB 4.16Å; F220-M225 HydrophobicContact CD2-CB 4.19Å; F220-M225 HydrophobicContact CG-CB 4.09Å; F220-M225 PolarHBondContact O-N 3.34Å; F220-L226 HydrophobicContact CB-CD2 3.67Å; F220-L226 HydrophobicContact CB-CG 4.14Å
221E97Very high95Very high129 Ų12952.8 Ų52.860%0.60328%0.275SS*.Hα-helixtrans-66.4-47.1173.9-171.5168.8-176.300111.4Q217 A218 V219 H223 D224 L226Q217-E221 VanDerWaalsContact O-CB 3.31Å; Q217-E221 WeakPolarHBondContact O-CB 3.46Å; Q217-E221 PolarHBondContact O-N 3.22Å; A218-E221 PolarHBondContact O-N 3.12Å; V219-E221 PolarHBondContact O-N 3.41Å; E221-H223 PolarHBondContact O-N 3.22Å; E221-H223 VanDerWaalsContact O-N 3.15Å; E221-D224 PolarHBondContact O-N 3.49Å; E221-L226 HydrophobicContact CB-CD1 3.91Å; E221-L226 HydrophobicContact CG-CD1 4.17Å
222K95.9Very high94.8Very high141 Ų14149.9 Ų49.961%0.61326%0.264SS*.Hα-helixtrans-55.2-32.6177.1176.3-175.5169.4-171.30112.9E79 A218 V219E79-K222 IonicContact OE1-NZ 3.84Å; E79-K222 PolarHBondContact OE1-NZ 3.2Å; A218-K222 VanDerWaalsContact O-CB 3.24Å; A218-K222 WeakPolarHBondContact O-CB 3.19Å; A218-K222 PolarHBondContact O-N 2.68Å; V219-K222 PolarHBondContact O-N 3.45Å
223H92.6Very high94.6Very high23 Ų2352.8 Ų52.811%0.10628%0.28CS..THydrogen-bonded Turntrans-108.213.5-175.3-69.2-90000114.1V82 L83 E86 V219 E221 M225V82-H223 HydrophobicContact CG1-CB 3.47Å; V82-H223 VanDerWaalsContact CG1-CB 3.47Å; V82-H223 VanDerWaalsContact CG1-CG 3.45Å; L83-H223 VanDerWaalsContact CD2-CE1 3.46Å; L83-H223 WeakPolarHBondContact CD2-CE1 3.26Å; E86-H223 IonicContact OE1-ND1 3.43Å; E86-H223 IonicContact OE2-CE1 2.88Å; E86-H223 IonicContact OE2-CG 3.34Å; E86-H223 IonicContact OE2-ND1 3.5Å; E86-H223 PolarHBondContact OE2-ND1 2.76Å; V219-H223 PolarHBondContact O-CD2 3.02Å; V219-H223 PolarHBondContact O-N 3.25Å; E221-H223 PolarHBondContact O-N 3.22Å; E221-H223 VanDerWaalsContact O-N 3.15Å; H223-M225 HydrophobicContact CB-CG 4.04Å; H223-M225 WeakPolarHBondContact O-CG 3.4Å; H223-M225 PolarHBondContact O-N 3.21Å
224D91.3Very high94.4Very high110 Ų11054.3 Ų54.359%0.58829%0.29SS*.THydrogen-bonded Turntrans52.536.5-178.6-165.730.2000114.2F220 E221F220-D224 PolarHBondContact O-N 2.75Å; E221-D224 PolarHBondContact O-N 3.49Å
225M91.8Very high94.1Very high2 Ų252.1 Ų52.11%0.0128%0.279CS..  trans-96.6-2.5-177.6-68-62-179.600113.7V82 E86 L106 F220 H223 N227 L228V82-M225 HydrophobicContact CG1-CE 4.36Å; V82-M225 HydrophobicContact CG1-CG 4.13Å; E86-M225 HydrophobicContact CB-CE 4.46Å; E86-M225 HydrophobicContact CG-CE 3.1Å; L106-M225 WeakPolarHBondContact CD2-O 3.4Å; F220-M225 HydrophobicContact CB-CB 4.16Å; F220-M225 HydrophobicContact CD2-CB 4.19Å; F220-M225 HydrophobicContact CG-CB 4.09Å; F220-M225 PolarHBondContact O-N 3.34Å; H223-M225 HydrophobicContact CB-CG 4.04Å; H223-M225 WeakPolarHBondContact O-CG 3.4Å; H223-M225 PolarHBondContact O-N 3.21Å; M225-N227 PolarHBondContact O-N 3.17Å; M225-L228 HydrophobicContact CB-CD1 3.93Å; M225-L228 HydrophobicContact CB-CG 4.25Å; M225-L228 HydrophobicContact CG-CD1 4.26Å; M225-L228 WeakPolarHBondContact O-CG 3.46Å; M225-L228 PolarHBondContact O-N 3.11Å; M225-L228 HydrophobicContact SD-CD1 3.57Å; M225-L228 VanDerWaalsContact SD-CD1 3.57Å; M225-L228 HydrophobicContact SD-CD2 3.6Å; M225-L228 VanDerWaalsContact SD-CD2 3.6Å; M225-L228 HydrophobicContact SD-CG 3.69Å
226L94.3Very high93.8Very high39 Ų3954.8 Ų54.820%0.20429%0.291CS..THydrogen-bonded Turntrans-66.7-19.2-177-69.3175.4000114.2R110 F220 E221R110-L226 PolarHBondContact NH2-O 3.4Å; F220-L226 HydrophobicContact CB-CD2 3.67Å; F220-L226 HydrophobicContact CB-CG 4.14Å; E221-L226 HydrophobicContact CB-CD1 3.91Å; E221-L226 HydrophobicContact CG-CD1 4.17Å
227N91.1Very high93.4Very high128 Ų12859 Ų5968%0.68431%0.314SS*.THydrogen-bonded Turntrans-115.419.3-176.6-64.8-55.2000113.4M225M225-N227 PolarHBondContact O-N 3.17Å
228L88.9Confident93Very high6 Ų660.2 Ų60.23%0.03132%0.322CS..  trans-53.1137.2175.5-76.9170.5000111.5C99 R103 L106 M225C99-L228 HydrophobicContact CB-CD1 4.32Å; C99-L228 HydrophobicContact CB-CD2 4.22Å; R103-L228 HydrophobicContact CG-CB 3.83Å; R103-L228 HydrophobicContact CG-CD1 3.97Å; R103-L228 HydrophobicContact CG-CD2 4.36Å; R103-L228 HydrophobicContact CG-CG 4.3Å; L106-L228 HydrophobicContact CD2-CB 3.88Å; M225-L228 HydrophobicContact CB-CD1 3.93Å; M225-L228 HydrophobicContact CB-CG 4.25Å; M225-L228 HydrophobicContact CG-CD1 4.26Å; M225-L228 WeakPolarHBondContact O-CG 3.46Å; M225-L228 PolarHBondContact O-N 3.11Å; M225-L228 HydrophobicContact SD-CD1 3.57Å; M225-L228 VanDerWaalsContact SD-CD1 3.57Å; M225-L228 HydrophobicContact SD-CD2 3.6Å; M225-L228 VanDerWaalsContact SD-CD2 3.6Å; M225-L228 HydrophobicContact SD-CG 3.69Å
229P80.4Confident92.6Very high83 Ų8360.7 Ų60.754%0.53931%0.311SS..  trans-67.20-176.530.7-36.8000112R103 R107R103-P229 PolarHBondContact NE-O 3.03Å; R103-P229 PolarHBondContact NH2-O 3.13Å; R103-P229 VanDerWaalsContact NH2-O 3.12Å; R107-P229 VanDerWaalsContact CZ-O 3.32Å; R107-P229 PolarHBondContact NH1-O 2.97Å; R107-P229 VanDerWaalsContact NH1-O 3.08Å; R107-P229 PolarHBondContact NH2-O 3.34Å; R107-P229 PolarHBondContact NH2-OXT 2.78Å

Retrieved 229 of 229 residues in 292.1 ms (Link to these results)

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