A0A096LR58_POEFO Loading...

Resistance to inhibitors of cholinesterase protein 3 N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LR58, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 170 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
1M44.6Very low64Low222 Ų222100.2 Ų100.2100%1.09455%0.553SS**  01320-72.1-171.7175.400108.8I3M1-I3 VanDerWaalsContact C-N 3.27Å; M1-I3 HydrophobicContact CB-CD1 4.01Å; M1-I3 HydrophobicContact CB-CG1 4.31Å; M1-I3 PolarHBondContact O-N 3.03Å
2T48Very low65.3Low118 Ų118101.2 Ų101.272%0.72456%0.555SS**  trans-60.372.5-173.538.90000112.9
3I57.4Low66.5Low97 Ų9798.1 Ų98.150%0.49755%0.545SS..  trans-117.175.9-172.4-63.8167.8000109.4M1M1-I3 VanDerWaalsContact C-N 3.27Å; M1-I3 HydrophobicContact CB-CD1 4.01Å; M1-I3 HydrophobicContact CB-CG1 4.31Å; M1-I3 PolarHBondContact O-N 3.03Å
4T66.9Low67.2Low95 Ų9594.6 Ų94.658%0.58353%0.53SS*.SBendtrans-147.5-46.6160.255.70000111.7K118T4-K118 PolarHBondContact O-NZ 3.42Å
5T61.5Low68.1Low97 Ų9791.6 Ų91.660%0.59552%0.518SS*.SBendtrans-103.8-46.9-178.547.40000112.7Q7 K8 V9T5-Q7 VanDerWaalsContact C-N 3.26Å; T5-Q7 PolarHBondContact O-N 3.43Å; T5-K8 PolarHBondContact O-N 2.97Å; T5-V9 WeakPolarHBondContact O-CG2 3.5Å; T5-V9 PolarHBondContact O-N 3.3Å; T5-V9 VanDerWaalsContact O-N 3.12Å
6C55.6Low68.9Low63 Ų6391.1 Ų91.143%0.42652%0.517SS..Hα-helixtrans-53.1-44.7177.2-59.50000111.2K8 V9 T10C6-K8 PolarHBondContact O-N 3.44Å; C6-V9 PolarHBondContact O-N 3.26Å; C6-T10 WeakPolarHBondContact O-CB 3.46Å; C6-T10 PolarHBondContact O-N 3.07Å; C6-T10 PolarHBondContact O-OG1 3.39Å
7Q69.4Low69.5Low54 Ų5491.7 Ų91.725%0.25252%0.518SS..Hα-helixtrans-61-39.2178.7-168.7-174.524.100113.8T5 L11 T114T5-Q7 VanDerWaalsContact C-N 3.26Å; T5-Q7 PolarHBondContact O-N 3.43Å; Q7-L11 HydrophobicContact CG-CD1 4.42Å; Q7-L11 WeakPolarHBondContact O-CB 3.47Å; Q7-L11 WeakPolarHBondContact O-CG 3.41Å; Q7-L11 PolarHBondContact O-N 3.21Å; Q7-T114 HydrophobicContact CG-CG2 4.41Å
8K71.3Confident69.9Low129 Ų12987.9 Ų87.956%0.56150%0.498SS*.Hα-helixtrans-69.2-43178.8-69.4178.583.2176.20110.1T5 C6 L11 I12T5-K8 PolarHBondContact O-N 2.97Å; C6-K8 PolarHBondContact O-N 3.44Å; K8-L11 PolarHBondContact O-N 2.92Å; K8-I12 WeakPolarHBondContact O-CD1 3.15Å; K8-I12 VanDerWaalsContact O-CG1 3.24Å; K8-I12 WeakPolarHBondContact O-CG1 3.47Å; K8-I12 PolarHBondContact O-N 3.38Å
9V74.8Confident70.2Confident97 Ų9786 Ų8659%0.58849%0.488SS*.Hα-helixtrans-64.2-42.7176.3178.70000110.8T5 C6 L11 I12 S13T5-V9 WeakPolarHBondContact O-CG2 3.5Å; T5-V9 PolarHBondContact O-N 3.3Å; T5-V9 VanDerWaalsContact O-N 3.12Å; C6-V9 PolarHBondContact O-N 3.26Å; V9-L11 PolarHBondContact O-N 3.4Å; V9-I12 PolarHBondContact O-N 3.37Å; V9-S13 VanDerWaalsContact O-CB 3.22Å; V9-S13 WeakPolarHBondContact O-CB 3.42Å; V9-S13 PolarHBondContact O-N 3.21Å
10T78.8Confident70.3Confident90 Ų9084.7 Ų84.755%0.55248%0.484SS*.Hα-helixtrans-62.9-40.8175.9-580000111.6C6 C14C6-T10 WeakPolarHBondContact O-CB 3.46Å; C6-T10 PolarHBondContact O-N 3.07Å; C6-T10 PolarHBondContact O-OG1 3.39Å; T10-C14 WeakPolarHBondContact O-CB 3.49Å; T10-C14 PolarHBondContact O-N 3.41Å
11L75.3Confident70.4Confident40 Ų4085.9 Ų85.921%0.20949%0.489CS..Hα-helixtrans-66.8-41.9176.6-73.1172.8000112.2Q7 K8 V9 S15 T114Q7-L11 HydrophobicContact CG-CD1 4.42Å; Q7-L11 WeakPolarHBondContact O-CB 3.47Å; Q7-L11 WeakPolarHBondContact O-CG 3.41Å; Q7-L11 PolarHBondContact O-N 3.21Å; K8-L11 PolarHBondContact O-N 2.92Å; V9-L11 PolarHBondContact O-N 3.4Å; L11-S15 WeakPolarHBondContact O-CB 3.33Å; L11-S15 PolarHBondContact O-N 2.89Å; L11-T114 HydrophobicContact CD1-CG2 4.29Å
12I79.8Confident71.4Confident112 Ų11277.3 Ų77.357%0.57445%0.446SS*.Hα-helixtrans-65.1-48.5176.7-66.9161.7000110K8 V9 C14 S15 V16K8-I12 WeakPolarHBondContact O-CD1 3.15Å; K8-I12 VanDerWaalsContact O-CG1 3.24Å; K8-I12 WeakPolarHBondContact O-CG1 3.47Å; K8-I12 PolarHBondContact O-N 3.38Å; V9-I12 PolarHBondContact O-N 3.37Å; I12-C14 PolarHBondContact O-N 3.3Å; I12-S15 PolarHBondContact O-N 2.89Å; I12-V16 VanDerWaalsContact O-CG2 3.29Å; I12-V16 WeakPolarHBondContact O-CG2 3.31Å; I12-V16 PolarHBondContact O-N 2.9Å
13S80.8Confident72.3Confident61 Ų6176.2 Ų76.243%0.42743%0.434SS..Hα-helixtrans-59-47.3176178.10000111.5V9 S15 V16 L17V9-S13 VanDerWaalsContact O-CB 3.22Å; V9-S13 WeakPolarHBondContact O-CB 3.42Å; V9-S13 PolarHBondContact O-N 3.21Å; S13-S15 PolarHBondContact O-N 3.28Å; S13-V16 PolarHBondContact O-N 3.28Å; S13-L17 WeakPolarHBondContact O-CB 3.11Å; S13-L17 VanDerWaalsContact O-CG 3.22Å; S13-L17 WeakPolarHBondContact O-CG 3.49Å; S13-L17 PolarHBondContact O-N 2.86Å
14C76.6Confident72.5Confident49 Ų4974.2 Ų74.233%0.33143%0.428SS..Hα-helixtrans-62.2-40.9178.8-177.80000112.2T10 I12 L17 C18T10-C14 WeakPolarHBondContact O-CB 3.49Å; T10-C14 PolarHBondContact O-N 3.41Å; I12-C14 PolarHBondContact O-N 3.3Å; C14-L17 PolarHBondContact O-N 3.48Å; C14-C18 WeakPolarHBondContact O-CB 3.34Å; C14-C18 PolarHBondContact O-N 3.12Å; C14-C18 PolarHBondContact O-SG 2.95Å; C14-C18 VanDerWaalsContact O-SG 3.34Å
15S80.3Confident72.2Confident50 Ų5079.1 Ų79.135%0.3544%0.436SS..Hα-helixtrans-63.5-47.7174.5178.40000112L11 I12 S13 L17 C18 V19L11-S15 WeakPolarHBondContact O-CB 3.33Å; L11-S15 PolarHBondContact O-N 2.89Å; I12-S15 PolarHBondContact O-N 2.89Å; S13-S15 PolarHBondContact O-N 3.28Å; S15-L17 VanDerWaalsContact C-N 3.32Å; S15-L17 PolarHBondContact O-N 3.46Å; S15-C18 PolarHBondContact O-N 2.79Å; S15-V19 WeakPolarHBondContact O-CG2 3.15Å; S15-V19 PolarHBondContact O-N 3.07Å
16V81.3Confident71.9Confident84 Ų8477.9 Ų77.951%0.50942%0.424SS..Hα-helixtrans-62.2-40.8178172.90000111I12 S13 V19 S20I12-V16 VanDerWaalsContact O-CG2 3.29Å; I12-V16 WeakPolarHBondContact O-CG2 3.31Å; I12-V16 PolarHBondContact O-N 2.9Å; S13-V16 PolarHBondContact O-N 3.28Å; V16-V19 PolarHBondContact O-N 3.33Å; V16-S20 WeakPolarHBondContact O-CB 3.46Å; V16-S20 PolarHBondContact O-N 2.9Å; V16-S20 PolarHBondContact O-OG 3.48Å
17L78.7Confident71.8Confident101 Ų10181.4 Ų81.453%0.52944%0.438SS..Hα-helixtrans-63.7-44.7174.7-72.1171.5000111.6S13 C14 S15 V19 S20 L21S13-L17 WeakPolarHBondContact O-CB 3.11Å; S13-L17 VanDerWaalsContact O-CG 3.22Å; S13-L17 WeakPolarHBondContact O-CG 3.49Å; S13-L17 PolarHBondContact O-N 2.86Å; C14-L17 PolarHBondContact O-N 3.48Å; S15-L17 VanDerWaalsContact C-N 3.32Å; S15-L17 PolarHBondContact O-N 3.46Å; L17-V19 PolarHBondContact O-N 3.48Å; L17-S20 CarbonylContact O-C 3.55Å; L17-S20 PolarHBondContact O-N 3.38Å; L17-L21 WeakPolarHBondContact O-CB 3.21Å; L17-L21 VanDerWaalsContact O-CG 3.23Å; L17-L21 WeakPolarHBondContact O-CG 3.34Å; L17-L21 PolarHBondContact O-N 2.8Å
18C76.3Confident70.9Confident24 Ų2484.7 Ų84.716%0.16246%0.457CS..Hα-helixtrans-60.8-46.5176.5-76.10000111.7C14 S15 L21 F22C14-C18 WeakPolarHBondContact O-CB 3.34Å; C14-C18 PolarHBondContact O-N 3.12Å; C14-C18 PolarHBondContact O-SG 2.95Å; C14-C18 VanDerWaalsContact O-SG 3.34Å; S15-C18 PolarHBondContact O-N 2.79Å; C18-L21 PolarHBondContact O-N 3.17Å; C18-F22 WeakPolarHBondContact O-CD2 2.93Å; C18-F22 PolarHBondContact O-N 3.07Å; C18-F22 VanDerWaalsContact O-N 3.14Å
19V77.3Confident69.9Low51 Ų5183.8 Ų83.831%0.30946%0.464SS..Hα-helixtrans-63.8-43.9177175.40000110.8S15 V16 L17 L21 F22 L23 F100S15-V19 WeakPolarHBondContact O-CG2 3.15Å; S15-V19 PolarHBondContact O-N 3.07Å; V16-V19 PolarHBondContact O-N 3.33Å; L17-V19 PolarHBondContact O-N 3.48Å; V19-L21 VanDerWaalsContact C-N 3.29Å; V19-L21 PolarHBondContact O-N 2.86Å; V19-F22 PolarHBondContact O-N 3.36Å; V19-L23 HydrophobicContact CG1-CD1 3.47Å; V19-L23 VanDerWaalsContact CG1-CD1 3.47Å; V19-L23 HydrophobicContact CG1-CG 4.12Å; V19-L23 WeakPolarHBondContact O-CB 3.42Å; V19-L23 VanDerWaalsContact O-CG 3.29Å; V19-L23 WeakPolarHBondContact O-CG 3.24Å; V19-L23 PolarHBondContact O-N 3.38Å; V19-F100 HydrophobicContact CG2-CE2 4.13Å; V19-F100 HydrophobicContact CG2-CZ 3.93Å
20S71.6Confident68.7Low59 Ų5988.1 Ų88.141%0.41347%0.47SS..Hα-helixtrans-71.7-14.3178.6-57.40000114.5V16 L17 P24V16-S20 WeakPolarHBondContact O-CB 3.46Å; V16-S20 PolarHBondContact O-N 2.9Å; V16-S20 PolarHBondContact O-OG 3.48Å; L17-S20 CarbonylContact O-C 3.55Å; L17-S20 PolarHBondContact O-N 3.38Å; S20-P24 VanDerWaalsContact C-CD 3.46Å; S20-P24 WeakPolarHBondContact O-CD 3.04Å; S20-P24 WeakPolarHBondContact O-CG 3.4Å
21L71.2Confident67.3Low110 Ų11087 Ų8758%0.57648%0.475SS*.Hα-helixtrans-89.4-34.9171.4-74.6171.4000111.1L17 C18 V19 R25L17-L21 WeakPolarHBondContact O-CB 3.21Å; L17-L21 VanDerWaalsContact O-CG 3.23Å; L17-L21 WeakPolarHBondContact O-CG 3.34Å; L17-L21 PolarHBondContact O-N 2.8Å; C18-L21 PolarHBondContact O-N 3.17Å; V19-L21 VanDerWaalsContact C-N 3.29Å; V19-L21 PolarHBondContact O-N 2.86Å; L21-R25 VanDerWaalsContact O-CB 3.23Å; L21-R25 WeakPolarHBondContact O-CB 3.33Å; L21-R25 WeakPolarHBondContact O-CG 3.42Å; L21-R25 PolarHBondContact O-N 3.49Å
22F67.4Low65.9Low43 Ų4393 Ų9319%0.18950%0.5CS..Hα-helixtrans-78.3-37.3178.8-86.9-88.2000113C18 V19 R25 M26 P96 F100 L103C18-F22 WeakPolarHBondContact O-CD2 2.93Å; C18-F22 PolarHBondContact O-N 3.07Å; C18-F22 VanDerWaalsContact O-N 3.14Å; V19-F22 PolarHBondContact O-N 3.36Å; F22-R25 PolarHBondContact O-N 2.77Å; F22-M26 WeakPolarHBondContact O-CB 3.48Å; F22-M26 WeakPolarHBondContact O-CG 3.37Å; F22-M26 PolarHBondContact O-N 2.82Å; F22-P96 HydrophobicContact CD1-CB 4.46Å; F22-P96 HydrophobicContact CE1-CB 4.27Å; F22-P96 WeakPolarHBondContact CE1-O 3.44Å; F22-F100 HydrophobicContact CB-CD2 3.87Å; F22-F100 HydrophobicContact CB-CE2 4.29Å; F22-F100 HydrophobicContact CB-CG 4.37Å; F22-F100 HydrophobicContact CD1-CB 3.68Å; F22-F100 HydrophobicContact CD1-CD2 4.21Å; F22-F100 HydrophobicContact CD1-CG 4.24Å; F22-F100 HydrophobicContact CD2-CB 4.31Å; F22-F100 AromaticContact CD2-CD2 3.54Å; F22-F100 HydrophobicContact CD2-CD2 3.54Å; F22-F100 HydrophobicContact CD2-CE2 4.34Å; F22-F100 HydrophobicContact CD2-CG 4.33Å; F22-F100 HydrophobicContact CE1-CB 3.75Å; F22-F100 HydrophobicContact CE2-CB 4.36Å; F22-F100 HydrophobicContact CE2-CD2 4.1Å; F22-F100 HydrophobicContact CG-CB 3.96Å; F22-F100 AromaticContact CG-CD2 3.58Å; F22-F100 HydrophobicContact CG-CD2 3.58Å; F22-F100 HydrophobicContact CG-CE2 4.42Å; F22-F100 HydrophobicContact CG-CG 4.04Å; F22-F100 HydrophobicContact CZ-CB 4.07Å; F22-L103 HydrophobicContact CE2-CD1 3.45Å; F22-L103 VanDerWaalsContact CE2-CD1 3.45Å; F22-L103 HydrophobicContact CZ-CD1 3.85Å
23L65.2Low64.3Low94 Ų9492.6 Ų92.649%0.49250%0.499SS..Hα-helixtrans-58.3-51.3176.4-76164000112.2V19 M26 L27V19-L23 HydrophobicContact CG1-CD1 3.47Å; V19-L23 VanDerWaalsContact CG1-CD1 3.47Å; V19-L23 HydrophobicContact CG1-CG 4.12Å; V19-L23 WeakPolarHBondContact O-CB 3.42Å; V19-L23 VanDerWaalsContact O-CG 3.29Å; V19-L23 WeakPolarHBondContact O-CG 3.24Å; V19-L23 PolarHBondContact O-N 3.38Å; L23-M26 PolarHBondContact O-N 3.1Å; L23-L27 VanDerWaalsContact O-CB 3.28Å; L23-L27 WeakPolarHBondContact O-CB 3Å; L23-L27 VanDerWaalsContact O-CG 3.22Å; L23-L27 WeakPolarHBondContact O-CG 3.22Å; L23-L27 PolarHBondContact O-N 3.18Å
24P61.5Low62.3Low55 Ų5598 Ų9836%0.35752%0.518SS..Hα-helixtrans-69.4-32.8175.3-19.333.8000112.7S20 M26 L27 L28S20-P24 VanDerWaalsContact C-CD 3.46Å; S20-P24 WeakPolarHBondContact O-CD 3.04Å; S20-P24 WeakPolarHBondContact O-CG 3.4Å; P24-M26 PolarHBondContact O-N 3.22Å; P24-L27 PolarHBondContact O-N 3.23Å; P24-L28 HydrophobicContact CB-CD1 3.84Å; P24-L28 WeakPolarHBondContact O-CA 3.28Å; P24-L28 VanDerWaalsContact O-CB 3.26Å; P24-L28 WeakPolarHBondContact O-CB 3.38Å; P24-L28 PolarHBondContact O-N 3.41Å
25R60.6Low60.4Low199 Ų199106.6 Ų106.675%0.75154%0.543SS*.Hα-helixtrans-65.6-26.1175.1-78-90.9177.290.7-3.4112.6L21 F22L21-R25 VanDerWaalsContact O-CB 3.23Å; L21-R25 WeakPolarHBondContact O-CB 3.33Å; L21-R25 WeakPolarHBondContact O-CG 3.42Å; L21-R25 PolarHBondContact O-N 3.49Å; F22-R25 PolarHBondContact O-N 2.77Å
26M55.6Low58.4Low71 Ų71107.7 Ų107.735%0.3556%0.562SS.*Hα-helixtrans-91.1-30.5175-68.3-169.773.500113.1F22 L23 P24 Q93 T97F22-M26 WeakPolarHBondContact O-CB 3.48Å; F22-M26 WeakPolarHBondContact O-CG 3.37Å; F22-M26 PolarHBondContact O-N 2.82Å; L23-M26 PolarHBondContact O-N 3.1Å; P24-M26 PolarHBondContact O-N 3.22Å; M26-Q93 HydrophobicContact CE-CG 3.86Å; M26-T97 HydrophobicContact CE-CG2 3.82Å; M26-T97 HydrophobicContact SD-CG2 4.16Å
27L53.9Low56.1Low137 Ų137111.9 Ų111.972%0.71758%0.576SS**Hα-helixtrans-93.7-24.7-177.3-67.2172.6000114.4L23 P24 P29L23-L27 VanDerWaalsContact O-CB 3.28Å; L23-L27 WeakPolarHBondContact O-CB 3Å; L23-L27 VanDerWaalsContact O-CG 3.22Å; L23-L27 WeakPolarHBondContact O-CG 3.22Å; L23-L27 PolarHBondContact O-N 3.18Å; P24-L27 PolarHBondContact O-N 3.23Å; L27-P29 WeakPolarHBondContact O-CD 3.11Å
28L50.2Low54.4Low123 Ų123112.5 Ų112.564%0.64459%0.589SS**SBendtrans-92.485.4160.5-75.1110.6000107P24 R30P24-L28 HydrophobicContact CB-CD1 3.84Å; P24-L28 WeakPolarHBondContact O-CA 3.28Å; P24-L28 VanDerWaalsContact O-CB 3.26Å; P24-L28 WeakPolarHBondContact O-CB 3.38Å; P24-L28 PolarHBondContact O-N 3.41Å; L28-R30 VanDerWaalsContact C-N 3.3Å; L28-R30 PolarHBondContact O-N 3.3Å
29P50.6Low52.7Low110 Ų110119.2 Ų119.271%0.71462%0.618SS**  trans-55.7104.4166.724.3-31.4000106.3L27 G31L27-P29 WeakPolarHBondContact O-CD 3.11Å; P29-G31 VanDerWaalsContact C-N 3.33Å; P29-G31 PolarHBondContact O-N 3.3Å
30R49.8Very low51Low188 Ų188123.9 Ų123.971%0.70965%0.646SS**  trans13.778.8163.6-178.5174.3155.3116.3-1.2110.9L28 K32 N33L28-R30 VanDerWaalsContact C-N 3.3Å; L28-R30 PolarHBondContact O-N 3.3Å; R30-K32 PolarHBondContact O-N 3.41Å; R30-N33 PolarHBondContact NH2-O 3.31Å; R30-N33 VanDerWaalsContact NH2-O 3.16Å
31G49.2Very low49.3Very low65 Ų65124 Ų12467%0.6766%0.657SS**  trans-56.797.917200000106.9P29 N33P29-G31 VanDerWaalsContact C-N 3.33Å; P29-G31 PolarHBondContact O-N 3.3Å; G31-N33 PolarHBondContact O-N 3.41Å
32K45Very low48.1Very low166 Ų166125.6 Ų125.672%0.72267%0.674SS**  trans2977.1167.2-163.8169.565.5174.10114.6R30 E34R30-K32 PolarHBondContact O-N 3.41Å; K32-E34 HydrophobicContact CG-CB 4.12Å; K32-E34 HydrophobicContact CG-CG 4.4Å; K32-E34 PolarHBondContact O-N 3.04Å
33N46.7Very low46.8Very low105 Ų105126.9 Ų126.956%0.56170%0.699SS**  trans-89.466.8148.4-69.3-45.9000108R30 G31 R35R30-N33 PolarHBondContact NH2-O 3.31Å; R30-N33 VanDerWaalsContact NH2-O 3.16Å; G31-N33 PolarHBondContact O-N 3.41Å; N33-R35 PolarHBondContact O-N 3.5Å
34E39.3Very low46.1Very low174 Ų174131.9 Ų131.981%0.81372%0.718SS**  trans-75.272.9140.7-83.8-172.3110.400106.4K32K32-E34 HydrophobicContact CG-CB 4.12Å; K32-E34 HydrophobicContact CG-CG 4.4Å; K32-E34 PolarHBondContact O-N 3.04Å
35R35.9Very low45.3Very low229 Ų229139.8 Ų139.886%0.86474%0.742SS**  trans-106.6109.7153.9-131.4172.6-168.9-155.20.7104.5N33 Q37N33-R35 PolarHBondContact O-N 3.5Å; R35-Q37 PolarHBondContact O-N 3.39Å
36G38.8Very low45Very low73 Ų73135.9 Ų135.975%0.75374%0.742SS**  trans-37.7126.8-170.100000112.3S38G36-S38 PolarHBondContact O-N 3.4Å; G36-S38 VanDerWaalsContact O-N 3.1Å
37Q32.2Very low44.9Very low173 Ų173138.8 Ų138.881%0.80877%0.766SS**  trans-52.5112.4157.3-172.5178.2-34.900107.1R35 E39R35-Q37 PolarHBondContact O-N 3.39Å; Q37-E39 PolarHBondContact O-N 3.1Å
38S44.6Very low44.5Very low114 Ų114135.5 Ų135.580%0.79777%0.765SS**  trans-75.2106.9169.8-178.50000107.3G36G36-S38 PolarHBondContact O-N 3.4Å; G36-S38 VanDerWaalsContact O-N 3.1Å
39E38.9Very low44.1Very low164 Ų164139 Ų13977%0.76678%0.781SS**  trans-148.8111.6153.2-115.3166.1145.700109.4Q37Q37-E39 PolarHBondContact O-N 3.1Å
40V42Very low43.6Very low150 Ų150142 Ų14291%0.90979%0.785SS**  trans-21.7132.2168178.10000116.2
41G36Very low42.8Very low62 Ų62141 Ų14164%0.63979%0.788SS**  trans142.9112.9151.100000115.7G43G41-G43 PolarHBondContact O-N 3.03Å
42P46.3Very low42.3Very low143 Ų143146.3 Ų146.393%0.92980%0.8SS**  trans-81.8110.5171.430.7-26.4000109.7
43G41.1Very low41.7Very low70 Ų70143.1 Ų143.172%0.72280%0.799SS**  trans-164.8113.6177.900000111.7G41G41-G43 PolarHBondContact O-N 3.03Å
44F48.9Very low40.9Very low199 Ų199144.6 Ų144.687%0.87381%0.812SS**  trans-44.3141.7165.8-76.9-107.6000111.8
45Y45.6Very low40.6Very low220 Ų220141.1 Ų141.186%0.86381%0.807SS**  trans172.9131.6132.3-93.5-69.5000110.2
46P53.2Low40.5Very low117 Ų117137.1 Ų137.176%0.7680%0.803SS**  trans-93.5134.1172.934.7-27.3000110.8
47P53.9Low40.1Very low132 Ų132141.1 Ų141.186%0.85781%0.807SS**  trans-98.2111.9172.3-7.126.8000113.2
48G45.3Very low40.7Very low68 Ų68137.2 Ų137.270%0.70180%0.796SS**  79.295.9122.500000118.5H50G48-H50 PolarHBondContact O-N 2.94Å
49M43.5Very low40.1Very low196 Ų196139.6 Ų139.697%0.96680%0.795SS**  trans-64.7124.9161.8-64.2176.175.700110.1
50H39.5Very low39.7Very low173 Ų173140.7 Ų140.780%0.80179%0.792SS**  trans-92.9118.7167.2-97.719.9000110.1G48G48-H50 PolarHBondContact O-N 2.94Å
51Q32.6Very low39.2Very low167 Ų167144.1 Ų144.178%0.7879%0.789SS**  71106.3128.2-160.2175.477.200118.5
52L38.8Very low39Very low177 Ų177149.4 Ų149.493%0.92780%0.797SS**  trans-145.5123.3134.5-134.2101000110.1
53S32.2Very low38.4Very low99 Ų99149.1 Ų149.169%0.69279%0.792SS**  trans-86.5141.6175.450.10000111.7
54V31.1Very low38.1Very low137 Ų137152.1 Ų152.183%0.8379%0.792SS**  trans-178.5103.9151.11440000105.7
55S32.7Very low37.3Very low101 Ų101148.2 Ų148.271%0.70679%0.789SS**  58.5119.395.4-140.40000116.4
56D32.9Very low36.8Very low145 Ų145142.6 Ų142.678%0.77578%0.782SS**  trans81.6110.3157.3-72.6-82.3000122.9
57D30.7Very low36.2Very low157 Ų157148.3 Ų148.384%0.8479%0.788SS**  trans60145.5137.6-137.450.8000122.4
58P44.7Very low35.7Very low91 Ų91148 Ų14859%0.59179%0.786SS**  trans-97.4143.6-162.938.3-30.1000112.4
59E31.5Very low35.9Very low164 Ų164152.5 Ų152.577%0.76679%0.793SS**  trans-175119.8140.4-94.4-47120.100108.4
60R30.9Very low35.5Very low187 Ų187149.3 Ų149.371%0.70679%0.785SS**  trans24.9119.8137.6-176.9-175.4-83.8-126.6-1.6116.4
61W32.5Very low35.7Very low221 Ų221148.4 Ų148.484%0.83778%0.781SS**  -178.6122.6120.7-82.3108.1000110.2
62E32Very low36.2Very low174 Ų174146.7 Ų146.781%0.81378%0.782SS**  trans-43.4146.2158.4-153.2-178.2-179.400111.9
63V32.8Very low36.6Very low136 Ų136144.4 Ų144.482%0.82478%0.775SS**  trans175121.7136.4157.10000109.6
64D35.9Very low37.1Very low134 Ų134148 Ų14872%0.71778%0.781SS**  trans-60.4139.6173-162.1-5.3000112
65S30.7Very low37.8Very low117 Ų117145.7 Ų145.782%0.81878%0.776SS**  trans-155.591.2162.4-960000111.6
66S36.6Very low38.5Very low101 Ų101153 Ų15371%0.70679%0.788SS**  trans-68.8119.1165.2-70.20000111.9
67R40.4Very low39.2Very low237 Ų237151.7 Ų151.789%0.89479%0.785SS**  trans56141.8149.7-70.7-179.8170.9177.7-1.5119.1
68P42.2Very low40.1Very low125 Ų125153.2 Ų153.281%0.81279%0.785SS**  -147.6139.995.931.1-10.8000116.9
69L50.7Low40.1Very low164 Ų164154.9 Ų154.986%0.85979%0.792SS**  trans-27.3123.5146.7175.173.7000116.1
70T33.9Very low40.9Very low129 Ų129154.8 Ų154.879%0.79179%0.792SS**  trans-159.6105.315145.10000109.3
71H44.8Very low41.4Very low153 Ų153151.2 Ų151.271%0.70880%0.796SS**  60.596.2100.8-169-87.4000116.1
72T41.6Very low42.3Very low131 Ų131147.2 Ų147.280%0.80479%0.79SS**  trans-148.686.5150.955.60000110.6E74T72-E74 VanDerWaalsContact C-N 3.27Å; T72-E74 PolarHBondContact O-N 3.37Å
73V47.3Very low43.5Very low129 Ų129142.4 Ų142.478%0.78279%0.787SS**  trans-80.274.6158171.20000107.1
74E43.4Very low44.1Very low175 Ų175148 Ų14882%0.81879%0.793SS**  trans-149.9148.6170.4-64.6-165.2-16800110.3T72T72-E74 VanDerWaalsContact C-N 3.27Å; T72-E74 PolarHBondContact O-N 3.37Å
75A45.5Very low44.4Very low89 Ų89144.7 Ų144.774%0.73679%0.79SS**  trans83.550.9179.800000117.5V77A75-V77 PolarHBondContact O-N 3.22Å
76R48.2Very low45.3Very low254 Ų254148.3 Ų148.396%0.95879%0.792SS**  trans-73.560.3141.6-153-174-149.9179.86.6109.6
77V46.2Very low46.1Very low117 Ų117153 Ų15371%0.70980%0.799SS**  trans-143.1107.5173.2176.40000108.9A75A75-V77 PolarHBondContact O-N 3.22Å
78K51.3Low46.5Very low190 Ų190149.4 Ų149.483%0.82679%0.787SS**  trans56.377.3143-162.5-176.6178.9-174.40116.5
79V43.7Very low47.1Very low125 Ų125148.8 Ų148.876%0.75878%0.777SS**  trans-138.385.5132.5179.80000106.5S81V79-S81 VanDerWaalsContact C-N 3.3Å; V79-S81 PolarHBondContact O-N 2.95Å
80Q48.3Very low47.4Very low162 Ų162147 Ų14776%0.75777%0.768SS**  trans-46.2111.7141-177.8177.181.800104.1I82Q80-I82 HydrophobicContact CG-CG1 4.29Å; Q80-I82 PolarHBondContact O-N 2.87Å
81S41.4Very low48Very low112 Ų112148.1 Ų148.178%0.78377%0.765SS**  trans-6767.3-176.349.40000110.1V79 G83V79-S81 VanDerWaalsContact C-N 3.3Å; V79-S81 PolarHBondContact O-N 2.95Å; S81-G83 PolarHBondContact O-N 3Å
82I50.5Low48.5Very low138 Ų138143.5 Ų143.571%0.70875%0.754SS**  trans-66.7101.6155.3-66.5175.7000104.6Q80Q80-I82 HydrophobicContact CG-CG1 4.29Å; Q80-I82 PolarHBondContact O-N 2.87Å
83G59Low49.1Very low73 Ų73141.4 Ų141.475%0.75374%0.735SS**  trans84.789153.500000116.4S81S81-G83 PolarHBondContact O-N 3Å
84R43.9Very low49.5Very low252 Ų252138.7 Ų138.795%0.95172%0.718SS**  trans-151.7110.9139.6-150.8174.5177.7-169.7-1.4111.3
85G43.3Very low50.4Low65 Ų65136 Ų13667%0.6771%0.709SS**  trans90.288.1161.300000114.2
86K49.9Very low51.3Low194 Ų194133.7 Ų133.784%0.84369%0.686SS**  59.4106.579.4-157.2170.4179.9177.40109.4
87K52.5Low52.3Low198 Ų198124.8 Ų124.886%0.86166%0.66SS**  trans94.334.4-169.2-49.1167.7-173.5-173.30115.7N89K87-N89 VanDerWaalsContact C-N 3.29Å; K87-N89 PolarHBondContact O-N 3.22Å
88Y49.4Very low53.5Low163 Ų163127.3 Ų127.364%0.63966%0.658SS**SBendtrans-65.9107.3150.160.8-87.3000105.2L90Y88-L90 VanDerWaalsContact C-N 3.29Å; Y88-L90 PolarHBondContact O-N 3.2Å
89N54.6Low54.8Low111 Ų111119.6 Ų119.659%0.59463%0.632SS**  trans1.469.5161.2-48.3-74.2000116.2K87 M91 A92 Q93K87-N89 VanDerWaalsContact C-N 3.29Å; K87-N89 PolarHBondContact O-N 3.22Å; N89-M91 PolarHBondContact O-N 2.69Å; N89-A92 HydrophobicContact CB-CB 3.38Å; N89-A92 PolarHBondContact O-N 2.97Å; N89-Q93 PolarHBondContact O-N 3.07Å
90L55.6Low56.5Low128 Ų128116.2 Ų116.267%0.6761%0.607SS**Hα-helixtrans-52.3-40.1168.8-115.4152000107.8Y88 V94Y88-L90 VanDerWaalsContact C-N 3.29Å; Y88-L90 PolarHBondContact O-N 3.2Å; L90-V94 HydrophobicContact CD2-CG2 4.05Å; L90-V94 WeakPolarHBondContact O-CA 3.48Å; L90-V94 WeakPolarHBondContact O-CB 3.29Å; L90-V94 WeakPolarHBondContact O-CG2 3.22Å; L90-V94 PolarHBondContact O-N 3.43Å
91M48.5Very low58.1Low151 Ų151110.1 Ų110.174%0.74459%0.588SS**Hα-helixtrans-59.2-48.1170.4-74-75.7-100.300114.4N89 Q93 V94 I95N89-M91 PolarHBondContact O-N 2.69Å; M91-Q93 VanDerWaalsContact C-N 3.34Å; M91-Q93 PolarHBondContact O-N 3.34Å; M91-V94 PolarHBondContact O-N 3.26Å; M91-I95 VanDerWaalsContact O-CD1 3.25Å; M91-I95 WeakPolarHBondContact O-CD1 3.34Å; M91-I95 WeakPolarHBondContact O-CG1 3.26Å; M91-I95 PolarHBondContact O-N 3Å; M91-I95 VanDerWaalsContact O-N 3.14Å
92A53.7Low60.2Low56 Ų56108 Ų10846%0.46357%0.567SS.*Hα-helixtrans-76.1-20-176.500000114N89 P96N89-A92 HydrophobicContact CB-CB 3.38Å; N89-A92 PolarHBondContact O-N 2.97Å; A92-P96 WeakPolarHBondContact O-CD 3.29Å; A92-P96 WeakPolarHBondContact O-CG 3.22Å
93Q54.9Low61.7Low88 Ų88104.6 Ų104.641%0.41155%0.55SS.*Hα-helixtrans-91.7-30.5172.5-163.5172.432.500112.1M26 N89 M91 I95 P96 T97M26-Q93 HydrophobicContact CE-CG 3.86Å; N89-Q93 PolarHBondContact O-N 3.07Å; M91-Q93 VanDerWaalsContact C-N 3.34Å; M91-Q93 PolarHBondContact O-N 3.34Å; Q93-I95 VanDerWaalsContact C-N 3.33Å; Q93-P96 WeakPolarHBondContact O-CD 3.34Å; Q93-T97 PolarHBondContact O-N 3.24Å; Q93-T97 PolarHBondContact O-OG1 3.46Å
94V56.1Low62.8Low72 Ų72104.4 Ų104.444%0.43653%0.532SS..Hα-helixtrans-63.7-37.9173.3164.70000111.2L90 M91 T97 Y98L90-V94 HydrophobicContact CD2-CG2 4.05Å; L90-V94 WeakPolarHBondContact O-CA 3.48Å; L90-V94 WeakPolarHBondContact O-CB 3.29Å; L90-V94 WeakPolarHBondContact O-CG2 3.22Å; L90-V94 PolarHBondContact O-N 3.43Å; M91-V94 PolarHBondContact O-N 3.26Å; V94-T97 WeakPolarHBondContact CA-OG1 3.38Å; V94-T97 PolarHBondContact O-N 2.82Å; V94-T97 PolarHBondContact O-OG1 3.47Å; V94-Y98 WeakPolarHBondContact O-CB 3.29Å; V94-Y98 PolarHBondContact O-N 3.12Å
95I61.2Low64.8Low119 Ų11999.4 Ų99.461%0.6151%0.514SS*.Hα-helixtrans-57.3-53.3178.8-70.6157.9000112M91 Q93 Y98 G99M91-I95 VanDerWaalsContact O-CD1 3.25Å; M91-I95 WeakPolarHBondContact O-CD1 3.34Å; M91-I95 WeakPolarHBondContact O-CG1 3.26Å; M91-I95 PolarHBondContact O-N 3Å; M91-I95 VanDerWaalsContact O-N 3.14Å; Q93-I95 VanDerWaalsContact C-N 3.33Å; I95-Y98 PolarHBondContact O-N 3.24Å; I95-G99 PolarHBondContact O-N 3.3Å; I95-G99 VanDerWaalsContact O-N 3.13Å
96P65.6Low66.8Low39 Ų39100.5 Ų100.525%0.25350%0.503SS..Hα-helixtrans-61.2-42.1173.3-24.630.8000114.2F22 A92 Q93 Y98 G99 F100F22-P96 HydrophobicContact CD1-CB 4.46Å; F22-P96 HydrophobicContact CE1-CB 4.27Å; F22-P96 WeakPolarHBondContact CE1-O 3.44Å; A92-P96 WeakPolarHBondContact O-CD 3.29Å; A92-P96 WeakPolarHBondContact O-CG 3.22Å; Q93-P96 WeakPolarHBondContact O-CD 3.34Å; P96-Y98 VanDerWaalsContact C-N 3.3Å; P96-Y98 PolarHBondContact O-N 3.34Å; P96-G99 PolarHBondContact O-N 3.05Å; P96-F100 PolarHBondContact O-N 3.39Å
97T69.6Low68.2Low67 Ų6793 Ų9341%0.41147%0.472SS..Hα-helixtrans-65.3-33.8179.131.50000112.8M26 Q93 V94 G101M26-T97 HydrophobicContact CE-CG2 3.82Å; M26-T97 HydrophobicContact SD-CG2 4.16Å; Q93-T97 PolarHBondContact O-N 3.24Å; Q93-T97 PolarHBondContact O-OG1 3.46Å; V94-T97 WeakPolarHBondContact CA-OG1 3.38Å; V94-T97 PolarHBondContact O-N 2.82Å; V94-T97 PolarHBondContact O-OG1 3.47Å; T97-G101 PolarHBondContact O-N 3.41Å; T97-G101 VanDerWaalsContact O-N 3.07Å
98Y69.9Low69.6Low171 Ų17189.9 Ų89.967%0.67146%0.456SS*.Hα-helixtrans-66.7-49.9174-170.7-106.9000110.3V94 I95 P96 F100 G101 I102V94-Y98 WeakPolarHBondContact O-CB 3.29Å; V94-Y98 PolarHBondContact O-N 3.12Å; I95-Y98 PolarHBondContact O-N 3.24Å; P96-Y98 VanDerWaalsContact C-N 3.3Å; P96-Y98 PolarHBondContact O-N 3.34Å; Y98-F100 VanDerWaalsContact C-N 3.28Å; Y98-F100 PolarHBondContact O-N 3.49Å; Y98-G101 PolarHBondContact O-N 2.99Å; Y98-G101 VanDerWaalsContact O-N 3.07Å; Y98-I102 HydrophobicContact CD1-CD1 3.65Å; Y98-I102 HydrophobicContact CD2-CD1 3.81Å; Y98-I102 HydrophobicContact CE1-CD1 3.48Å; Y98-I102 VanDerWaalsContact CE1-CD1 3.48Å; Y98-I102 HydrophobicContact CE1-CG1 4.29Å; Y98-I102 HydrophobicContact CE2-CD1 3.65Å; Y98-I102 HydrophobicContact CG-CD1 3.81Å; Y98-I102 VanDerWaalsContact CZ-CD1 3.48Å; Y98-I102 WeakPolarHBondContact O-CD1 3.37Å; Y98-I102 PolarHBondContact O-N 3.14Å
99G78.9Confident71.2Confident28 Ų2885 Ų8529%0.28944%0.44SS..Hα-helixtrans-56.6-39.7176.900000113.6I95 P96 I102 L103I95-G99 PolarHBondContact O-N 3.3Å; I95-G99 VanDerWaalsContact O-N 3.13Å; P96-G99 PolarHBondContact O-N 3.05Å; G99-I102 PolarHBondContact O-N 3.43Å; G99-L103 WeakPolarHBondContact O-CG 3.22Å; G99-L103 PolarHBondContact O-N 2.93Å
100F79Confident72.3Confident53 Ų5384.1 Ų84.123%0.23243%0.434CS..Hα-helixtrans-65.8-42.3175.1-175.9-114.2000112.7V19 F22 P96 Y98 I102 L103 L104V19-F100 HydrophobicContact CG2-CE2 4.13Å; V19-F100 HydrophobicContact CG2-CZ 3.93Å; F22-F100 HydrophobicContact CB-CD2 3.87Å; F22-F100 HydrophobicContact CB-CE2 4.29Å; F22-F100 HydrophobicContact CB-CG 4.37Å; F22-F100 HydrophobicContact CD1-CB 3.68Å; F22-F100 HydrophobicContact CD1-CD2 4.21Å; F22-F100 HydrophobicContact CD1-CG 4.24Å; F22-F100 HydrophobicContact CD2-CB 4.31Å; F22-F100 AromaticContact CD2-CD2 3.54Å; F22-F100 HydrophobicContact CD2-CD2 3.54Å; F22-F100 HydrophobicContact CD2-CE2 4.34Å; F22-F100 HydrophobicContact CD2-CG 4.33Å; F22-F100 HydrophobicContact CE1-CB 3.75Å; F22-F100 HydrophobicContact CE2-CB 4.36Å; F22-F100 HydrophobicContact CE2-CD2 4.1Å; F22-F100 HydrophobicContact CG-CB 3.96Å; F22-F100 AromaticContact CG-CD2 3.58Å; F22-F100 HydrophobicContact CG-CD2 3.58Å; F22-F100 HydrophobicContact CG-CE2 4.42Å; F22-F100 HydrophobicContact CG-CG 4.04Å; F22-F100 HydrophobicContact CZ-CB 4.07Å; P96-F100 PolarHBondContact O-N 3.39Å; Y98-F100 VanDerWaalsContact C-N 3.28Å; Y98-F100 PolarHBondContact O-N 3.49Å; F100-I102 VanDerWaalsContact C-N 3.29Å; F100-I102 PolarHBondContact O-N 2.77Å; F100-L103 PolarHBondContact O-N 3.28Å; F100-L104 HydrophobicContact CD1-CD1 3.76Å; F100-L104 HydrophobicContact CD1-CG 4.26Å; F100-L104 HydrophobicContact CD2-CG 4.42Å; F100-L104 HydrophobicContact CE1-CD1 3.21Å; F100-L104 HydrophobicContact CE1-CG 3.88Å; F100-L104 HydrophobicContact CE2-CD1 4.26Å; F100-L104 HydrophobicContact CE2-CD2 4.21Å; F100-L104 HydrophobicContact CE2-CG 4.03Å; F100-L104 HydrophobicContact CG-CD1 4.49Å; F100-L104 HydrophobicContact CZ-CD1 3.49Å; F100-L104 VanDerWaalsContact CZ-CD1 3.49Å; F100-L104 HydrophobicContact CZ-CD2 3.93Å; F100-L104 HydrophobicContact CZ-CG 3.74Å; F100-L104 WeakPolarHBondContact O-CB 3.03Å; F100-L104 WeakPolarHBondContact O-CG 3.34Å; F100-L104 PolarHBondContact O-N 2.91Å
101G82.4Confident73.2Confident35 Ų3584.8 Ų84.836%0.36143%0.428SS..Hα-helixtrans-59.4-39.7175.200000112.6T97 Y98 Y105T97-G101 PolarHBondContact O-N 3.41Å; T97-G101 VanDerWaalsContact O-N 3.07Å; Y98-G101 PolarHBondContact O-N 2.99Å; Y98-G101 VanDerWaalsContact O-N 3.07Å; G101-Y105 VanDerWaalsContact O-CB 3.29Å; G101-Y105 WeakPolarHBondContact O-CB 2.96Å; G101-Y105 PolarHBondContact O-N 3.24Å
102I85Confident74.5Confident66 Ų6682.5 Ų82.534%0.33841%0.414SS..Hα-helixtrans-68-44.2177.4-7968.5000110.6Y98 G99 F100 Y105 I106Y98-I102 HydrophobicContact CD1-CD1 3.65Å; Y98-I102 HydrophobicContact CD2-CD1 3.81Å; Y98-I102 HydrophobicContact CE1-CD1 3.48Å; Y98-I102 VanDerWaalsContact CE1-CD1 3.48Å; Y98-I102 HydrophobicContact CE1-CG1 4.29Å; Y98-I102 HydrophobicContact CE2-CD1 3.65Å; Y98-I102 HydrophobicContact CG-CD1 3.81Å; Y98-I102 VanDerWaalsContact CZ-CD1 3.48Å; Y98-I102 WeakPolarHBondContact O-CD1 3.37Å; Y98-I102 PolarHBondContact O-N 3.14Å; G99-I102 PolarHBondContact O-N 3.43Å; F100-I102 VanDerWaalsContact C-N 3.29Å; F100-I102 PolarHBondContact O-N 2.77Å; I102-Y105 WeakPolarHBondContact O-CB 2.76Å; I102-Y105 PolarHBondContact O-N 3.44Å; I102-I106 HydrophobicContact CG2-CD1 3.83Å; I102-I106 VanDerWaalsContact O-CG1 3.29Å; I102-I106 WeakPolarHBondContact O-CG1 3.15Å; I102-I106 PolarHBondContact O-N 3.01Å
103L82Confident75.2Confident68 Ų6885.2 Ų85.236%0.35642%0.42SS..Hα-helixtrans-62.6-44.2177-72.2168.2000111.9F22 G99 F100 Y105 I106 L107F22-L103 HydrophobicContact CE2-CD1 3.45Å; F22-L103 VanDerWaalsContact CE2-CD1 3.45Å; F22-L103 HydrophobicContact CZ-CD1 3.85Å; G99-L103 WeakPolarHBondContact O-CG 3.22Å; G99-L103 PolarHBondContact O-N 2.93Å; F100-L103 PolarHBondContact O-N 3.28Å; L103-Y105 VanDerWaalsContact C-N 3.3Å; L103-Y105 PolarHBondContact O-N 3.32Å; L103-I106 PolarHBondContact O-N 2.92Å; L103-L107 WeakPolarHBondContact O-CB 3.17Å; L103-L107 WeakPolarHBondContact O-CG 3.19Å; L103-L107 PolarHBondContact O-N 3.48Å
104L83.3Confident75.6Confident69 Ų6982 Ų8236%0.36141%0.407SS..Hα-helixtrans-62.6-37.9174.4-76-176.9000112.1F100 L107 Y108F100-L104 HydrophobicContact CD1-CD1 3.76Å; F100-L104 HydrophobicContact CD1-CG 4.26Å; F100-L104 HydrophobicContact CD2-CG 4.42Å; F100-L104 HydrophobicContact CE1-CD1 3.21Å; F100-L104 HydrophobicContact CE1-CG 3.88Å; F100-L104 HydrophobicContact CE2-CD1 4.26Å; F100-L104 HydrophobicContact CE2-CD2 4.21Å; F100-L104 HydrophobicContact CE2-CG 4.03Å; F100-L104 HydrophobicContact CG-CD1 4.49Å; F100-L104 HydrophobicContact CZ-CD1 3.49Å; F100-L104 VanDerWaalsContact CZ-CD1 3.49Å; F100-L104 HydrophobicContact CZ-CD2 3.93Å; F100-L104 HydrophobicContact CZ-CG 3.74Å; F100-L104 WeakPolarHBondContact O-CB 3.03Å; F100-L104 WeakPolarHBondContact O-CG 3.34Å; F100-L104 PolarHBondContact O-N 2.91Å; L104-L107 PolarHBondContact O-N 2.97Å; L104-Y108 WeakPolarHBondContact O-CB 3.19Å; L104-Y108 PolarHBondContact O-N 2.95Å
105Y84.5Confident75.6Confident147 Ų14780.5 Ų80.558%0.57640%0.399SS*.Hα-helixtrans-66-43.9178-176.7-110.9000112.1G101 I102 L103 Y108 I109G101-Y105 VanDerWaalsContact O-CB 3.29Å; G101-Y105 WeakPolarHBondContact O-CB 2.96Å; G101-Y105 PolarHBondContact O-N 3.24Å; I102-Y105 WeakPolarHBondContact O-CB 2.76Å; I102-Y105 PolarHBondContact O-N 3.44Å; L103-Y105 VanDerWaalsContact C-N 3.3Å; L103-Y105 PolarHBondContact O-N 3.32Å; Y105-Y108 WeakPolarHBondContact O-CB 3.29Å; Y105-Y108 PolarHBondContact O-N 3.48Å; Y105-I109 HydrophobicContact CD1-CD1 3.79Å; Y105-I109 HydrophobicContact CE1-CD1 3.33Å; Y105-I109 HydrophobicContact CE1-CG1 4.37Å; Y105-I109 HydrophobicContact CE2-CD1 4.23Å; Y105-I109 HydrophobicContact CE2-CG1 4.49Å; Y105-I109 HydrophobicContact CG-CD1 4.42Å; Y105-I109 WeakPolarHBondContact O-CG1 3.26Å; Y105-I109 PolarHBondContact O-N 3.34Å
106I85.8Confident75.3Confident88 Ų8881.3 Ų81.345%0.45140%0.398SS..Hα-helixtrans-62.2-46.4175.1-64163.4000110.2I102 L103 Y108 I109 M110I102-I106 HydrophobicContact CG2-CD1 3.83Å; I102-I106 VanDerWaalsContact O-CG1 3.29Å; I102-I106 WeakPolarHBondContact O-CG1 3.15Å; I102-I106 PolarHBondContact O-N 3.01Å; L103-I106 PolarHBondContact O-N 2.92Å; I106-Y108 VanDerWaalsContact C-N 3.3Å; I106-Y108 PolarHBondContact O-N 3.36Å; I106-I109 PolarHBondContact O-N 2.84Å; I106-M110 WeakPolarHBondContact O-CB 2.99Å; I106-M110 WeakPolarHBondContact O-CG 2.86Å; I106-M110 PolarHBondContact O-N 3.41Å
107L79.1Confident74.6Confident36 Ų3681 Ų8119%0.18840%0.402CS..Hα-helixtrans-63.7-35.5176.3-72.5174.5000112.2L103 L104 M110 Y111L103-L107 WeakPolarHBondContact O-CB 3.17Å; L103-L107 WeakPolarHBondContact O-CG 3.19Å; L103-L107 PolarHBondContact O-N 3.48Å; L104-L107 PolarHBondContact O-N 2.97Å; L107-M110 PolarHBondContact O-N 2.95Å; L107-Y111 VanDerWaalsContact O-CB 3.26Å; L107-Y111 WeakPolarHBondContact O-CB 3.48Å; L107-Y111 PolarHBondContact O-N 3.35Å
108Y82.1Confident73.8Confident132 Ų13280.9 Ų80.952%0.51840%0.396SS..Hα-helixtrans-66.2-44.4175.5172.4-99.4000111.6L104 Y105 I106 M110 Y111 K112L104-Y108 WeakPolarHBondContact O-CB 3.19Å; L104-Y108 PolarHBondContact O-N 2.95Å; Y105-Y108 WeakPolarHBondContact O-CB 3.29Å; Y105-Y108 PolarHBondContact O-N 3.48Å; I106-Y108 VanDerWaalsContact C-N 3.3Å; I106-Y108 PolarHBondContact O-N 3.36Å; Y108-M110 VanDerWaalsContact C-N 3.33Å; Y108-Y111 PolarHBondContact O-N 2.79Å; Y108-K112 HydrophobicContact CE1-CD 4.15Å; Y108-K112 WeakPolarHBondContact O-CB 3.27Å; Y108-K112 PolarHBondContact O-N 2.7Å
109I83.7Confident72.8Confident60 Ų6077.6 Ų77.631%0.30839%0.394SS..Hα-helixtrans-61.2-45.9173.9-69.6167.2000109.8Y105 I106 Y111 K112 L113Y105-I109 HydrophobicContact CD1-CD1 3.79Å; Y105-I109 HydrophobicContact CE1-CD1 3.33Å; Y105-I109 HydrophobicContact CE1-CG1 4.37Å; Y105-I109 HydrophobicContact CE2-CD1 4.23Å; Y105-I109 HydrophobicContact CE2-CG1 4.49Å; Y105-I109 HydrophobicContact CG-CD1 4.42Å; Y105-I109 WeakPolarHBondContact O-CG1 3.26Å; Y105-I109 PolarHBondContact O-N 3.34Å; I106-I109 PolarHBondContact O-N 2.84Å; I109-Y111 PolarHBondContact O-N 3.46Å; I109-K112 PolarHBondContact O-N 3.26Å; I109-L113 HydrophobicContact CG2-CD1 3.49Å; I109-L113 VanDerWaalsContact CG2-CD1 3.49Å; I109-L113 HydrophobicContact CG2-CG 4.1Å; I109-L113 VanDerWaalsContact O-CB 3.29Å; I109-L113 WeakPolarHBondContact O-CB 3.44Å; I109-L113 WeakPolarHBondContact O-CG 3.46Å; I109-L113 PolarHBondContact O-N 2.79Å
110M78.1Confident71Confident93 Ų9382.2 Ų82.246%0.45841%0.412SS..Hα-helixtrans-63.5-40.5177.7-73.3-64.5-70.700112.3I106 L107 Y108 T114I106-M110 WeakPolarHBondContact O-CB 2.99Å; I106-M110 WeakPolarHBondContact O-CG 2.86Å; I106-M110 PolarHBondContact O-N 3.41Å; L107-M110 PolarHBondContact O-N 2.95Å; Y108-M110 VanDerWaalsContact C-N 3.33Å; M110-T114 WeakPolarHBondContact O-CA 3.44Å; M110-T114 WeakPolarHBondContact O-CB 3.47Å; M110-T114 PolarHBondContact O-N 2.84Å; M110-T114 PolarHBondContact O-OG1 2.83Å
111Y73.6Confident69.3Low142 Ų14289 Ų8956%0.55744%0.441SS*.Hα-helixtrans-64.2-48.6174178.2-93.8000110.7L107 Y108 I109 L113 T114 C115L107-Y111 VanDerWaalsContact O-CB 3.26Å; L107-Y111 WeakPolarHBondContact O-CB 3.48Å; L107-Y111 PolarHBondContact O-N 3.35Å; Y108-Y111 PolarHBondContact O-N 2.79Å; I109-Y111 PolarHBondContact O-N 3.46Å; Y111-L113 VanDerWaalsContact C-N 3.35Å; Y111-L113 PolarHBondContact O-N 2.77Å; Y111-T114 PolarHBondContact O-N 3.48Å; Y111-C115 VanDerWaalsContact CD2-SG 3.57Å; Y111-C115 HydrophobicContact CE1-CB 4.47Å; Y111-C115 WeakPolarHBondContact CE2-SG 3.33Å; Y111-C115 WeakPolarHBondContact O-CA 3.28Å; Y111-C115 WeakPolarHBondContact O-CB 3.32Å; Y111-C115 PolarHBondContact O-N 3.35Å; Y111-C115 PolarHBondContact O-SG 2.79Å; Y111-C115 VanDerWaalsContact O-SG 3.41Å
112K75.9Confident67.5Low104 Ų10490 Ų9045%0.45244%0.442SS..Hα-helixtrans-59.4-44.8177.8-172.2-176.6-179.3-177.30111Y108 I109 K116Y108-K112 HydrophobicContact CE1-CD 4.15Å; Y108-K112 WeakPolarHBondContact O-CB 3.27Å; Y108-K112 PolarHBondContact O-N 2.7Å; I109-K112 PolarHBondContact O-N 3.26Å; K112-K116 WeakPolarHBondContact O-CB 3.46Å; K112-K116 PolarHBondContact O-N 3.32Å
113L68.1Low65.3Low112 Ų11290 Ų9059%0.58646%0.459SS*.Hα-helixtrans-73.5-40.8178.9-68.3172.4000112.6I109 Y111 G117I109-L113 HydrophobicContact CG2-CD1 3.49Å; I109-L113 VanDerWaalsContact CG2-CD1 3.49Å; I109-L113 HydrophobicContact CG2-CG 4.1Å; I109-L113 VanDerWaalsContact O-CB 3.29Å; I109-L113 WeakPolarHBondContact O-CB 3.44Å; I109-L113 WeakPolarHBondContact O-CG 3.46Å; I109-L113 PolarHBondContact O-N 2.79Å; Y111-L113 VanDerWaalsContact C-N 3.35Å; Y111-L113 PolarHBondContact O-N 2.77Å; L113-G117 VanDerWaalsContact O-CA 3.27Å; L113-G117 WeakPolarHBondContact O-CA 3.34Å; L113-G117 PolarHBondContact O-N 2.77Å
114T64.3Low63.6Low21 Ų2193.7 Ų93.713%0.12948%0.478CS..Hα-helixtrans-73-43.3-178.5-61.60000111.5Q7 L11 M110 Y111 K118Q7-T114 HydrophobicContact CG-CG2 4.41Å; L11-T114 HydrophobicContact CD1-CG2 4.29Å; M110-T114 WeakPolarHBondContact O-CA 3.44Å; M110-T114 WeakPolarHBondContact O-CB 3.47Å; M110-T114 PolarHBondContact O-N 2.84Å; M110-T114 PolarHBondContact O-OG1 2.83Å; Y111-T114 PolarHBondContact O-N 3.48Å; T114-K118 HydrophobicContact CG2-CD 4.08Å; T114-K118 VanDerWaalsContact O-CB 3.26Å; T114-K118 WeakPolarHBondContact O-CB 3.45Å; T114-K118 VanDerWaalsContact O-CG 3.29Å; T114-K118 WeakPolarHBondContact O-CG 3.46Å; T114-K118 PolarHBondContact O-N 3.06Å
115C56.3Low61.8Low41 Ų4199.9 Ų99.928%0.27750%0.498SS..Hα-helixtrans-74.3-44178-66.60000111.2Y111 K118 V119Y111-C115 VanDerWaalsContact CD2-SG 3.57Å; Y111-C115 HydrophobicContact CE1-CB 4.47Å; Y111-C115 WeakPolarHBondContact CE2-SG 3.33Å; Y111-C115 WeakPolarHBondContact O-CA 3.28Å; Y111-C115 WeakPolarHBondContact O-CB 3.32Å; Y111-C115 PolarHBondContact O-N 3.35Å; Y111-C115 PolarHBondContact O-SG 2.79Å; Y111-C115 VanDerWaalsContact O-SG 3.41Å; C115-K118 PolarHBondContact O-N 2.78Å; C115-V119 VanDerWaalsContact O-CG2 3.28Å; C115-V119 WeakPolarHBondContact O-CG2 3.23Å; C115-V119 PolarHBondContact O-N 3.41Å; C115-V119 VanDerWaalsContact O-N 3.14Å
116K54.5Low59.5Low135 Ų13597.4 Ų97.459%0.58750%0.502SS*.Hα-helixtrans-72.2-33.9178-157166.1178.1175.10112.1K112 V119 N120K112-K116 WeakPolarHBondContact O-CB 3.46Å; K112-K116 PolarHBondContact O-N 3.32Å; K116-V119 PolarHBondContact O-N 3.39Å; K116-N120 PolarHBondContact O-N 3.47Å; K116-N120 PolarHBondContact O-ND2 2.8Å; K116-N120 PolarHBondContact O-OD1 2.77Å
117G51.3Low57.5Low33 Ų33100.1 Ų100.134%0.3452%0.523SS..Hα-helixtrans-71.6-30.4173.300000114.2L113 K121L113-G117 VanDerWaalsContact O-CA 3.27Å; L113-G117 WeakPolarHBondContact O-CA 3.34Å; L113-G117 PolarHBondContact O-N 2.77Å; G117-K121 PolarHBondContact O-N 2.76Å
118K52.3Low55.8Low64 Ų64104.1 Ų104.128%0.27855%0.545SS..Hα-helixtrans-74.2-31.7171.7-81.8167.696.9165.10112.7T4 T114 C115 S122T4-K118 PolarHBondContact O-NZ 3.42Å; T114-K118 HydrophobicContact CG2-CD 4.08Å; T114-K118 VanDerWaalsContact O-CB 3.26Å; T114-K118 WeakPolarHBondContact O-CB 3.45Å; T114-K118 VanDerWaalsContact O-CG 3.29Å; T114-K118 WeakPolarHBondContact O-CG 3.46Å; T114-K118 PolarHBondContact O-N 3.06Å; C115-K118 PolarHBondContact O-N 2.78Å; K118-S122 WeakPolarHBondContact O-CB 3.39Å; K118-S122 PolarHBondContact O-N 3.44Å
119V48.4Very low53.7Low103 Ų103106.6 Ų106.662%0.62456%0.558SS**Hα-helixtrans-68-38.8175.5178.50000110.8C115 K116 K121 S122C115-V119 VanDerWaalsContact O-CG2 3.28Å; C115-V119 WeakPolarHBondContact O-CG2 3.23Å; C115-V119 PolarHBondContact O-N 3.41Å; C115-V119 VanDerWaalsContact O-N 3.14Å; K116-V119 PolarHBondContact O-N 3.39Å; V119-K121 PolarHBondContact O-N 3.26Å; V119-S122 PolarHBondContact O-N 3.4Å
120N41.9Very low51.9Low125 Ų125110.2 Ų110.267%0.66858%0.583SS**Hα-helixtrans-75.4-23.8-179.8-56.4-7.2000113.6K116K116-N120 PolarHBondContact O-N 3.47Å; K116-N120 PolarHBondContact O-ND2 2.8Å; K116-N120 PolarHBondContact O-OD1 2.77Å
121K43.8Very low50Low196 Ų196112.3 Ų112.385%0.85259%0.59SS**Hα-helixtrans-95.4-8.4173.3-77.4179.7173.5169.20113.9G117 V119G117-K121 PolarHBondContact O-N 2.76Å; V119-K121 PolarHBondContact O-N 3.26Å
122S43.3Very low48.5Very low55 Ų55112.1 Ų112.139%0.38560%0.604SS.*SBendtrans-90.3-0.5174.2179.80000112.7K118 V119 L124 Y125K118-S122 WeakPolarHBondContact O-CB 3.39Å; K118-S122 PolarHBondContact O-N 3.44Å; V119-S122 PolarHBondContact O-N 3.4Å; S122-L124 PolarHBondContact O-N 3.17Å; S122-L124 VanDerWaalsContact O-N 3.07Å; S122-Y125 PolarHBondContact O-N 2.7Å
123G39.5Very low46.7Very low66 Ų66113.7 Ų113.768%0.6862%0.622SS**THydrogen-bonded Turntrans-69.54.2-178.500000115.9
124L46.2Very low45.4Very low145 Ų145109.4 Ų109.476%0.75960%0.601SS**THydrogen-bonded Turntrans-123.7-4.4175.6-140.779.1000115S122S122-L124 PolarHBondContact O-N 3.17Å; S122-L124 VanDerWaalsContact O-N 3.07Å
125Y45.1Very low44.5Very low199 Ų199112.6 Ų112.678%0.7862%0.618SS**SBendtrans-154.380.1175.8-68.2-82.2000109.8S122S122-Y125 PolarHBondContact O-N 2.7Å
126S37.2Very low43.9Very low96 Ų96116.1 Ų116.167%0.67164%0.638SS**  trans177.165.9150.6-74.60000108.6
127T42Very low43.4Very low144 Ų144113 Ų11388%0.88363%0.634SS**  trans-61.5134.7138.2-58.10000105.5
128D43.4Very low43.3Very low120 Ų120114.1 Ų114.164%0.64264%0.64SS**  trans88.299.9168.9-146.811.2000116
129K38.9Very low43.4Very low184 Ų184115.1 Ų115.180%0.865%0.651SS**  177.6102.8109-92.3167.4-172.9179.90112K131K129-K131 PolarHBondContact O-N 2.65Å
130T45.4Very low43.5Very low137 Ų137114.8 Ų114.884%0.8465%0.646SS**  trans-48.2106.1140.6-50.90000109.6
131K38.4Very low44.2Very low136 Ų136113 Ų11359%0.59164%0.642SS**  trans-177.491.8152.2-114.6164.5153.5-154.40111.3K129 T133 S134 N135K129-K131 PolarHBondContact O-N 2.65Å; K131-T133 VanDerWaalsContact C-N 3.29Å; K131-S134 WeakPolarHBondContact CB-OG 2.91Å; K131-S134 WeakPolarHBondContact CD-OG 3.44Å; K131-S134 VanDerWaalsContact CE-CB 3.43Å; K131-S134 WeakPolarHBondContact CE-OG 2.99Å; K131-S134 WeakPolarHBondContact CG-OG 3.26Å; K131-S134 PolarHBondContact NZ-OG 3.29Å; K131-N135 PolarHBondContact O-ND2 3.39Å; K131-N135 PolarHBondContact O-OD1 2.9Å
132T42.1Very low45.4Very low139 Ų139108.3 Ų108.385%0.85362%0.623SS**SBendtrans-82.90.4175.7-61.60000112.6
133T39Very low46.4Very low137 Ų137110.4 Ų110.484%0.8463%0.63SS**SBendtrans-151.840.9-172.8-28.60000114.2K131K131-T133 VanDerWaalsContact C-N 3.29Å
134S40.9Very low47.8Very low21 Ų21109.9 Ų109.915%0.14762%0.619CS.*SBendtrans-141.98.5174.664.50000115K131 S137 A138K131-S134 WeakPolarHBondContact CB-OG 2.91Å; K131-S134 WeakPolarHBondContact CD-OG 3.44Å; K131-S134 VanDerWaalsContact CE-CB 3.43Å; K131-S134 WeakPolarHBondContact CE-OG 2.99Å; K131-S134 WeakPolarHBondContact CG-OG 3.26Å; K131-S134 PolarHBondContact NZ-OG 3.29Å; S134-S137 PolarHBondContact O-OG 2.89Å; S134-A138 WeakPolarHBondContact O-CB 3.23Å; S134-A138 PolarHBondContact O-N 3.3Å
135N45.2Very low49.1Very low89 Ų89109.5 Ų109.548%0.47661%0.607SS.*Hα-helixtrans-97.7-23.8-163.5-40.5-17.3000110.4K131 T139K131-N135 PolarHBondContact O-ND2 3.39Å; K131-N135 PolarHBondContact O-OD1 2.9Å; N135-T139 PolarHBondContact O-N 2.93Å; N135-T139 PolarHBondContact O-OG1 3.33Å
136T44Very low50.4Low115 Ų115104.9 Ų104.971%0.70660%0.595SS**Hα-helixtrans-66.4-50.1171.7-36.60000109.6T139 D140T136-T139 PolarHBondContact O-N 3.35Å; T136-D140 PolarHBondContact O-N 3.27Å
137S43.3Very low52.3Low70 Ų70107 Ų10749%0.4960%0.595SS.*Hα-helixtrans-70.1-33.1178.554.10000114.2S134 T139 D140 C141S134-S137 PolarHBondContact O-OG 2.89Å; S137-T139 VanDerWaalsContact C-N 3.27Å; S137-T139 PolarHBondContact O-N 3.14Å; S137-D140 PolarHBondContact O-N 2.86Å; S137-C141 PolarHBondContact O-N 3.5Å; S137-C141 PolarHBondContact O-SG 2.9Å
138A48.8Very low54Low56 Ų56106.4 Ų106.446%0.46358%0.582SS.*Hα-helixtrans-67.3-26.9175.200000113.1S134 E142S134-A138 WeakPolarHBondContact O-CB 3.23Å; S134-A138 PolarHBondContact O-N 3.3Å; A138-E142 PolarHBondContact O-N 3.01Å
139T53.7Low55.7Low84 Ų84106.9 Ų106.952%0.51558%0.578SS.*Hα-helixtrans-77.9-37.1176.5-43.30000111N135 T136 S137 E142 L143N135-T139 PolarHBondContact O-N 2.93Å; N135-T139 PolarHBondContact O-OG1 3.33Å; T136-T139 PolarHBondContact O-N 3.35Å; S137-T139 VanDerWaalsContact C-N 3.27Å; S137-T139 PolarHBondContact O-N 3.14Å; T139-E142 PolarHBondContact O-N 2.75Å; T139-L143 PolarHBondContact O-N 3.36Å; T139-L143 VanDerWaalsContact O-N 3.1Å
140D52.4Low57.4Low96 Ų96104.1 Ų104.151%0.51357%0.572SS.*Hα-helixtrans-68.5-37.1175.7-65.3-32.8000112.2T136 S137 E142 L143 A144T136-D140 PolarHBondContact O-N 3.27Å; S137-D140 PolarHBondContact O-N 2.86Å; D140-E142 PolarHBondContact O-N 3.25Å; D140-L143 PolarHBondContact O-N 3.21Å; D140-A144 WeakPolarHBondContact O-CB 3.29Å; D140-A144 PolarHBondContact O-N 3.45Å
141C55.4Low59Low88 Ų88101.7 Ų101.760%0.59555%0.553SS**Hα-helixtrans-65.3-35.9174.4-66.70000113.1S137 R145S137-C141 PolarHBondContact O-N 3.5Å; S137-C141 PolarHBondContact O-SG 2.9Å; C141-R145 WeakPolarHBondContact O-CB 3.4Å; C141-R145 PolarHBondContact O-N 3.34Å
142E68.1Low60.7Low97 Ų97102 Ų10245%0.45356%0.557SS.*Hα-helixtrans-71.7-36.9175.2-76.6-72.1167.200111.9A138 T139 D140 R145 L146A138-E142 PolarHBondContact O-N 3.01Å; T139-E142 PolarHBondContact O-N 2.75Å; D140-E142 PolarHBondContact O-N 3.25Å; E142-R145 PolarHBondContact O-N 3.4Å; E142-R145 IonicContact OE1-NH2 3.81Å; E142-R145 IonicContact OE2-CZ 3.64Å; E142-R145 IonicContact OE2-NE 3.39Å; E142-R145 PolarHBondContact OE2-NE 2.91Å; E142-R145 IonicContact OE2-NH2 3.03Å; E142-R145 PolarHBondContact OE2-NH2 3.29Å; E142-L146 WeakPolarHBondContact O-CG 3.19Å; E142-L146 PolarHBondContact O-N 2.96Å
143L65.4Low62.4Low100 Ų10099.6 Ų99.652%0.52454%0.542SS..Hα-helixtrans-63.5-45.7173.3-79.5165.3000111.5T139 D140 R145 L146 Q147T139-L143 PolarHBondContact O-N 3.36Å; T139-L143 VanDerWaalsContact O-N 3.1Å; D140-L143 PolarHBondContact O-N 3.21Å; L143-R145 VanDerWaalsContact C-N 3.3Å; L143-R145 PolarHBondContact O-N 3.03Å; L143-L146 PolarHBondContact O-N 2.91Å; L143-Q147 WeakPolarHBondContact O-CB 3.5Å; L143-Q147 PolarHBondContact O-N 2.91Å
144A68.7Low64.2Low55 Ų5598.4 Ų98.446%0.45553%0.527SS..Hα-helixtrans-60-40.5175.500000111.8D140 Q147 E148D140-A144 WeakPolarHBondContact O-CB 3.29Å; D140-A144 PolarHBondContact O-N 3.45Å; A144-Q147 PolarHBondContact O-N 2.96Å; A144-E148 WeakPolarHBondContact O-CB 3.29Å; A144-E148 PolarHBondContact O-N 3.4Å
145R73.1Confident65.8Low136 Ų136102.8 Ų102.851%0.51355%0.546SS..Hα-helixtrans-67-36.9176.9-165.7178.174.1131.3-3.7112.8C141 E142 L143 K149C141-R145 WeakPolarHBondContact O-CB 3.4Å; C141-R145 PolarHBondContact O-N 3.34Å; E142-R145 PolarHBondContact O-N 3.4Å; E142-R145 IonicContact OE1-NH2 3.81Å; E142-R145 IonicContact OE2-CZ 3.64Å; E142-R145 IonicContact OE2-NE 3.39Å; E142-R145 PolarHBondContact OE2-NE 2.91Å; E142-R145 IonicContact OE2-NH2 3.03Å; E142-R145 PolarHBondContact OE2-NH2 3.29Å; L143-R145 VanDerWaalsContact C-N 3.3Å; L143-R145 PolarHBondContact O-N 3.03Å; R145-K149 WeakPolarHBondContact O-CG 3.34Å; R145-K149 PolarHBondContact O-N 3.31Å
146L73.3Confident66.9Low102 Ų102104.7 Ų104.753%0.53455%0.554SS.*Hα-helixtrans-68.6-39.5173.7-77.5165.8000111.4E142 L143 K149 L150E142-L146 WeakPolarHBondContact O-CG 3.19Å; E142-L146 PolarHBondContact O-N 2.96Å; L143-L146 PolarHBondContact O-N 2.91Å; L146-K149 PolarHBondContact O-N 3.07Å; L146-L150 PolarHBondContact O-N 3.41Å
147Q77.3Confident68.1Low140 Ų140104.2 Ų104.265%0.65455%0.547SS*.Hα-helixtrans-66-39.4177.3-166.9173.9-16.300111.8L143 A144 K149 L150 L151L143-Q147 WeakPolarHBondContact O-CB 3.5Å; L143-Q147 PolarHBondContact O-N 2.91Å; A144-Q147 PolarHBondContact O-N 2.96Å; Q147-K149 VanDerWaalsContact C-N 3.33Å; Q147-K149 PolarHBondContact O-N 2.93Å; Q147-L150 PolarHBondContact O-N 2.87Å; Q147-L151 WeakPolarHBondContact O-CB 3.12Å; Q147-L151 PolarHBondContact O-N 3.29Å
148E77.9Confident69.5Low132 Ų132106.6 Ų106.662%0.61755%0.55SS*.Hα-helixtrans-64.2-36.5174-171.9172-160.900112.1A144 L151 Q152A144-E148 WeakPolarHBondContact O-CB 3.29Å; A144-E148 PolarHBondContact O-N 3.4Å; E148-L151 PolarHBondContact O-N 3.3Å; E148-Q152 PolarHBondContact O-N 3.07Å
149K78.8Confident70.4Confident130 Ų130113.8 Ų113.857%0.56557%0.565SS**Hα-helixtrans-69.1-37173.5-74.3-154.3175.8-167.10113.5R145 L146 Q147 T153R145-K149 WeakPolarHBondContact O-CG 3.34Å; R145-K149 PolarHBondContact O-N 3.31Å; L146-K149 PolarHBondContact O-N 3.07Å; Q147-K149 VanDerWaalsContact C-N 3.33Å; Q147-K149 PolarHBondContact O-N 2.93Å; K149-T153 PolarHBondContact O-N 2.97Å; K149-T153 PolarHBondContact O-OG1 3.25Å
150L74.8Confident71.3Confident127 Ų127114.8 Ų114.867%0.66557%0.566SS**Hα-helixtrans-65.2-42.9172.6-72.4176.7000110.8L146 Q147 Q152 T153 E154L146-L150 PolarHBondContact O-N 3.41Å; Q147-L150 PolarHBondContact O-N 2.87Å; L150-Q152 PolarHBondContact O-N 3.4Å; L150-T153 WeakPolarHBondContact O-CB 2.94Å; L150-T153 PolarHBondContact O-N 3.28Å; L150-T153 VanDerWaalsContact O-N 3.12Å; L150-E154 PolarHBondContact O-N 2.74Å
151L78.8Confident71.9Confident86 Ų86114.4 Ų114.445%0.4557%0.567SS.*Hα-helixtrans-63.8-39.1176.5-17075000112.5Q147 E148 T153 E154 M155Q147-L151 WeakPolarHBondContact O-CB 3.12Å; Q147-L151 PolarHBondContact O-N 3.29Å; E148-L151 PolarHBondContact O-N 3.3Å; L151-T153 VanDerWaalsContact C-N 3.31Å; L151-T153 PolarHBondContact O-N 3.04Å; L151-E154 PolarHBondContact O-N 2.86Å; L151-M155 HydrophobicContact CD2-CE 3.81Å; L151-M155 HydrophobicContact CG-CE 3.77Å; L151-M155 PolarHBondContact O-N 3.31Å
152Q74.5Confident72Confident143 Ų143113.3 Ų113.367%0.66856%0.56SS**Hα-helixtrans-63.6-38.2172.3-94.3-147.8-24.700112.4E148 L150 E154 M156E148-Q152 PolarHBondContact O-N 3.07Å; L150-Q152 PolarHBondContact O-N 3.4Å; Q152-E154 VanDerWaalsContact C-N 3.33Å; Q152-M156 VanDerWaalsContact O-CB 3.31Å; Q152-M156 WeakPolarHBondContact O-CB 3.33Å; Q152-M156 PolarHBondContact O-N 2.88Å
153T76.9Confident71.5Confident88 Ų88111 Ų11154%0.5456%0.562SS.*Hα-helixtrans-67.7-38.8177.3-52.70000110.4K149 L150 L151 M156 L157K149-T153 PolarHBondContact O-N 2.97Å; K149-T153 PolarHBondContact O-OG1 3.25Å; L150-T153 WeakPolarHBondContact O-CB 2.94Å; L150-T153 PolarHBondContact O-N 3.28Å; L150-T153 VanDerWaalsContact O-N 3.12Å; L151-T153 VanDerWaalsContact C-N 3.31Å; L151-T153 PolarHBondContact O-N 3.04Å; T153-M156 PolarHBondContact O-N 3.47Å; T153-L157 WeakPolarHBondContact O-CB 3.45Å; T153-L157 PolarHBondContact O-N 2.77Å
154E77.4Confident70.9Confident111 Ų111116 Ų11652%0.51957%0.574SS.*Hα-helixtrans-63.1-49.8174-174174.5-155.900111.7L150 L151 Q152 M156 L157 E158L150-E154 PolarHBondContact O-N 2.74Å; L151-E154 PolarHBondContact O-N 2.86Å; Q152-E154 VanDerWaalsContact C-N 3.33Å; E154-M156 VanDerWaalsContact C-N 3.34Å; E154-M156 PolarHBondContact O-N 3.14Å; E154-L157 CarbonylContact O-C 3.58Å; E154-L157 WeakPolarHBondContact O-CB 3.42Å; E154-L157 PolarHBondContact O-N 3.24Å; E154-E158 WeakPolarHBondContact O-CG 2.93Å; E154-E158 PolarHBondContact O-N 2.69Å
155M73.8Confident70.2Confident113 Ų113117 Ų11756%0.55758%0.578SS**Hα-helixtrans-63.4-36.4176.4-79.2-168.2-119.400113.2L151 R159L151-M155 HydrophobicContact CD2-CE 3.81Å; L151-M155 HydrophobicContact CG-CE 3.77Å; L151-M155 PolarHBondContact O-N 3.31Å; M155-R159 WeakPolarHBondContact O-CB 3.01Å; M155-R159 PolarHBondContact O-N 2.79Å
156M68.3Low69.2Low130 Ų130118 Ų11864%0.6459%0.588SS**Hα-helixtrans-69.6-37.7175.2-173.6173.2176.400111.4Q152 T153 E154 R159 I160Q152-M156 VanDerWaalsContact O-CB 3.31Å; Q152-M156 WeakPolarHBondContact O-CB 3.33Å; Q152-M156 PolarHBondContact O-N 2.88Å; T153-M156 PolarHBondContact O-N 3.47Å; E154-M156 VanDerWaalsContact C-N 3.34Å; E154-M156 PolarHBondContact O-N 3.14Å; M156-R159 PolarHBondContact O-N 2.87Å; M156-I160 HydrophobicContact CG-CD1 4.33Å; M156-I160 WeakPolarHBondContact O-CG1 3.47Å; M156-I160 PolarHBondContact O-N 3.13Å; M156-I160 VanDerWaalsContact O-N 3.07Å
157L69.8Low68.1Low105 Ų105118.8 Ų118.855%0.5560%0.601SS.*Hα-helixtrans-65.6-43174.2-178.5133.4000111.1T153 E154 R159 I160 V161T153-L157 WeakPolarHBondContact O-CB 3.45Å; T153-L157 PolarHBondContact O-N 2.77Å; E154-L157 CarbonylContact O-C 3.58Å; E154-L157 WeakPolarHBondContact O-CB 3.42Å; E154-L157 PolarHBondContact O-N 3.24Å; L157-R159 VanDerWaalsContact C-N 3.32Å; L157-R159 PolarHBondContact O-N 2.92Å; L157-I160 PolarHBondContact O-N 3.27Å; L157-V161 HydrophobicContact CD2-CG2 4.22Å; L157-V161 HydrophobicContact CG-CG2 4.33Å; L157-V161 WeakPolarHBondContact O-CB 3.25Å; L157-V161 WeakPolarHBondContact O-CG2 3.18Å; L157-V161 PolarHBondContact O-N 3.19Å
158E73.2Confident67Low119 Ų119116.9 Ų116.956%0.55660%0.603SS**Hα-helixtrans-62.2-37.7173.6-75.5-166.7148.100112.2E154 I160 V161 S162E154-E158 WeakPolarHBondContact O-CG 2.93Å; E154-E158 PolarHBondContact O-N 2.69Å; E158-I160 PolarHBondContact O-N 3.42Å; E158-V161 PolarHBondContact O-N 2.96Å; E158-S162 WeakPolarHBondContact O-CB 3.33Å; E158-S162 PolarHBondContact O-N 2.94Å
159R67.8Low65.7Low208 Ų208116.2 Ų116.279%0.78561%0.613SS**Hα-helixtrans-65.8-37.4175.5-166.4-175.5-103.2167.4-5.8112.3M155 M156 L157 G163M155-R159 WeakPolarHBondContact O-CB 3.01Å; M155-R159 PolarHBondContact O-N 2.79Å; M156-R159 PolarHBondContact O-N 2.87Å; L157-R159 VanDerWaalsContact C-N 3.32Å; L157-R159 PolarHBondContact O-N 2.92Å; R159-G163 PolarHBondContact O-N 3.37Å
160I72.1Confident63.8Low104 Ų104125 Ų12553%0.53364%0.643SS.*Hα-helixtrans-72.3-40.9175.5-65.4164.8000110.7M156 L157 E158 R164M156-I160 HydrophobicContact CG-CD1 4.33Å; M156-I160 WeakPolarHBondContact O-CG1 3.47Å; M156-I160 PolarHBondContact O-N 3.13Å; M156-I160 VanDerWaalsContact O-N 3.07Å; L157-I160 PolarHBondContact O-N 3.27Å; E158-I160 PolarHBondContact O-N 3.42Å; I160-R164 WeakPolarHBondContact O-CB 2.97Å; I160-R164 PolarHBondContact O-N 3.44Å; I160-R164 VanDerWaalsContact O-N 3.1Å
161V63.8Low63.3Low89 Ų89125 Ų12554%0.53964%0.642SS.*Hα-helixtrans-68.7-41.5179.3169.50000111.1L157 E158 R164 S165L157-V161 HydrophobicContact CD2-CG2 4.22Å; L157-V161 HydrophobicContact CG-CG2 4.33Å; L157-V161 WeakPolarHBondContact O-CB 3.25Å; L157-V161 WeakPolarHBondContact O-CG2 3.18Å; L157-V161 PolarHBondContact O-N 3.19Å; E158-V161 PolarHBondContact O-N 2.96Å; V161-R164 PolarHBondContact O-N 3.33Å; V161-S165 PolarHBondContact O-N 3.1Å
162S58Low62.5Low64 Ų64127 Ų12745%0.44865%0.652SS.*Hα-helixtrans-70.7-36.1175.1-177.60000112.5E158 R164 S165 H166E158-S162 WeakPolarHBondContact O-CB 3.33Å; E158-S162 PolarHBondContact O-N 2.94Å; S162-R164 PolarHBondContact O-N 3.16Å; S162-S165 PolarHBondContact O-N 3.38Å; S162-S165 PolarHBondContact O-OG 3.45Å; S162-H166 PolarHBondContact O-CD2 3.42Å
163G57.7Low61.8Low48 Ų48126.1 Ų126.150%0.49565%0.651SS.*Hα-helixtrans-64.4-24.6170.800000113.4R159R159-G163 PolarHBondContact O-N 3.37Å
164R54Low60.9Low205 Ų205128.4 Ų128.477%0.77466%0.657SS**Hα-helixtrans-89.1-20.7-179.8-159.5168.4176.2-179.4-2.4113.3I160 V161 S162I160-R164 WeakPolarHBondContact O-CB 2.97Å; I160-R164 PolarHBondContact O-N 3.44Å; I160-R164 VanDerWaalsContact O-N 3.1Å; V161-R164 PolarHBondContact O-N 3.33Å; S162-R164 PolarHBondContact O-N 3.16Å
165S52.6Low59.9Low77 Ų77129.4 Ų129.454%0.53867%0.666SS.*Hα-helixtrans-78.8-18.4175.355.70000114.1V161 S162V161-S165 PolarHBondContact O-N 3.1Å; S162-S165 PolarHBondContact O-N 3.38Å; S162-S165 PolarHBondContact O-OG 3.45Å
166H53.5Low58.9Low156 Ų156130.5 Ų130.572%0.72267%0.673SS**THydrogen-bonded Turntrans-92.6-0.7-179.6-77.6-69.6000115.4S162S162-H166 PolarHBondContact O-CD2 3.42Å
167C49.4Very low58.3Low119 Ų119130.6 Ų130.680%0.80468%0.676SS**SBendtrans-111.98.4176.9-73.50000114.6
168S53.2Low57.4Low100 Ų100132.5 Ų132.570%0.69969%0.685SS**SBendtrans-110.730.6177.5-170.70000113
169S51.3Low56.1Low118 Ų118133.7 Ų133.783%0.82570%0.696SS**  trans-140.672165.1-79.20000109.4
170R39.6Very low55Low316 Ų316126.9 Ų126.9100%1.19269%0.688SS**  trans-154.40151.5-135.8179.8-166.8-159.82.5110.5

Retrieved 170 of 170 residues in 30.4 ms (Link to these results)

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