B5X6F4_SALSA Loading...

Translocon-associated protein subunit gamma

TRAP proteins are part of a complex whose function is to bind calcium to the ER membrane and thereby regulate the retention of ER resident proteins.

AlphaFold DB , UniProt , Accession B5X6F4, Species SALSA (Salmo salar, Atlantic salmon), Gene SSRG, Length 185 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
1M42.2Very low49.1Very low248 Ų248118.8 Ų118.8100%1.22267%0.665SS**  092.50-147.311414100107.1
2A39.8Very low49.6Very low90 Ų90119.5 Ų119.574%0.74466%0.659SS**  trans-77.7141.1-177.400000110.3K4A2-K4 PolarHBondContact O-N 2.99Å
3P44Very low49.7Very low108 Ų108118.6 Ų118.670%0.70165%0.647SS**  trans-73.1120.3-173.129-31.1000110.2G5P3-G5 PolarHBondContact O-N 3.29Å
4K48.3Very low50Low199 Ų199116.5 Ų116.587%0.86564%0.635SS**THydrogen-bonded Turntrans-65.512.4175.9-80.6179.4171177.60114.8A2A2-K4 PolarHBondContact O-N 2.99Å
5G47.5Very low50.4Low40 Ų40115.8 Ų115.841%0.41263%0.629SS.*THydrogen-bonded Turntrans-88.7-28.6-176.900000114.3P3 Q9P3-G5 PolarHBondContact O-N 3.29Å; G5-Q9 PolarHBondContact O-N 3.2Å
6S48.4Very low50.8Low75 Ų75115.3 Ų115.352%0.52463%0.625SS.*Hα-helixtrans-68.5-39.7-173.355.30000113.2K8 Q10S6-K8 VanDerWaalsContact C-N 3.31Å; S6-K8 PolarHBondContact O-N 3.31Å; S6-Q10 WeakPolarHBondContact O-CB 3.3Å; S6-Q10 PolarHBondContact O-N 2.95Å
7S53.4Low50.9Low83 Ų83114.9 Ų114.958%0.5862%0.622SS**Hα-helixtrans-68.8-28.1-176.958.90000113.9S11S7-S11 WeakPolarHBondContact O-CB 3.27Å; S7-S11 PolarHBondContact O-N 2.85Å; S7-S11 VanDerWaalsContact O-N 3.12Å
8K52.8Low50.7Low165 Ų165116.2 Ų116.272%0.71762%0.623SS**Hα-helixtrans-80.8-42-179.5-136.3-178.5-175.2-171.70111.6S6 S11 E12S6-K8 VanDerWaalsContact C-N 3.31Å; S6-K8 PolarHBondContact O-N 3.31Å; K8-S11 PolarHBondContact O-N 2.77Å; K8-E12 PolarHBondContact O-N 2.66Å
9Q55.3Low50.6Low119 Ų119114.9 Ų114.956%0.55662%0.617SS**Hα-helixtrans-64.4-42.6172-110.9171.8-57.300111.6G5 S11 E12 E13G5-Q9 PolarHBondContact O-N 3.2Å; Q9-S11 VanDerWaalsContact C-N 3.28Å; Q9-S11 PolarHBondContact O-N 3.3Å; Q9-E12 PolarHBondContact O-N 2.94Å; Q9-E13 WeakPolarHBondContact O-CB 3.08Å; Q9-E13 WeakPolarHBondContact O-CG 3.35Å; Q9-E13 PolarHBondContact O-N 3.12Å
10Q51.2Low50.4Low116 Ų116116.9 Ų116.954%0.54262%0.619SS.*Hα-helixtrans-64.8-34.1177.1-163.3166.9-4.700111.6S6 D14S6-Q10 WeakPolarHBondContact O-CB 3.3Å; S6-Q10 PolarHBondContact O-N 2.95Å; Q10-D14 WeakPolarHBondContact O-CB 3.49Å; Q10-D14 PolarHBondContact O-N 3.22Å
11S57.3Low50.2Low64 Ų64114.1 Ų114.145%0.44861%0.61SS.*Hα-helixtrans-72.1-33.5174-164.40000113.5S7 K8 Q9 L15S7-S11 WeakPolarHBondContact O-CB 3.27Å; S7-S11 PolarHBondContact O-N 2.85Å; S7-S11 VanDerWaalsContact O-N 3.12Å; K8-S11 PolarHBondContact O-N 2.77Å; Q9-S11 VanDerWaalsContact C-N 3.28Å; Q9-S11 PolarHBondContact O-N 3.3Å; S11-L15 VanDerWaalsContact O-CB 3.29Å; S11-L15 WeakPolarHBondContact O-CB 3.35Å; S11-L15 WeakPolarHBondContact O-CD1 3.42Å; S11-L15 PolarHBondContact O-N 3.35Å
12E55.3Low50.5Low127 Ų127110 Ų11059%0.59358%0.581SS**Hα-helixtrans-73.3-41173-80.8-178.1140.200111.5K8 Q9 L15 L16K8-E12 PolarHBondContact O-N 2.66Å; Q9-E12 PolarHBondContact O-N 2.94Å; E12-L15 PolarHBondContact O-N 2.99Å; E12-L16 WeakPolarHBondContact O-CB 3.06Å; E12-L16 WeakPolarHBondContact O-CG 3.43Å; E12-L16 PolarHBondContact O-N 2.66Å
13E51.2Low51Low108 Ų108112.6 Ų112.651%0.50558%0.582SS.*Hα-helixtrans-64.7-40173.2-72.1177.1-165.800111Q9 L16 L17Q9-E13 WeakPolarHBondContact O-CB 3.08Å; Q9-E13 WeakPolarHBondContact O-CG 3.35Å; Q9-E13 PolarHBondContact O-N 3.12Å; E13-L16 PolarHBondContact O-N 3.35Å; E13-L17 WeakPolarHBondContact O-CA 3.46Å; E13-L17 WeakPolarHBondContact O-CB 3.2Å; E13-L17 WeakPolarHBondContact O-CD1 3.29Å; E13-L17 WeakPolarHBondContact O-CG 3.46Å; E13-L17 PolarHBondContact O-N 2.91Å
14D54Low51.4Low89 Ų89109.1 Ų109.148%0.47656%0.557SS.*Hα-helixtrans-68.3-34.9173.4-75.9-27.2000111.9Q10 L17 Q18Q10-D14 WeakPolarHBondContact O-CB 3.49Å; Q10-D14 PolarHBondContact O-N 3.22Å; D14-L17 CarbonylContact O-C 3.45Å; D14-L17 PolarHBondContact O-N 3.4Å; D14-Q18 WeakPolarHBondContact O-CA 3.1Å; D14-Q18 WeakPolarHBondContact O-CB 3.32Å; D14-Q18 PolarHBondContact O-N 3.05Å
15L55.8Low51.8Low106 Ų106103.4 Ų103.456%0.55554%0.542SS*.Hα-helixtrans-67.7-41.2172.6-103.9146.3000111.8S11 E12 Q18 D19S11-L15 VanDerWaalsContact O-CB 3.29Å; S11-L15 WeakPolarHBondContact O-CB 3.35Å; S11-L15 WeakPolarHBondContact O-CD1 3.42Å; S11-L15 PolarHBondContact O-N 3.35Å; E12-L15 PolarHBondContact O-N 2.99Å; L15-Q18 PolarHBondContact O-N 3.47Å; L15-D19 WeakPolarHBondContact O-CB 3.11Å; L15-D19 PolarHBondContact O-N 3.48Å
16L55.9Low52.3Low108 Ų108105.4 Ų105.457%0.56556%0.555SS**Hα-helixtrans-68.2-41.5174-70169.6000110.6E12 E13 Q18 D19 F20E12-L16 WeakPolarHBondContact O-CB 3.06Å; E12-L16 WeakPolarHBondContact O-CG 3.43Å; E12-L16 PolarHBondContact O-N 2.66Å; E13-L16 PolarHBondContact O-N 3.35Å; L16-Q18 VanDerWaalsContact C-N 3.29Å; L16-Q18 PolarHBondContact O-N 3.26Å; L16-D19 CarbonylContact O-C 3.59Å; L16-D19 PolarHBondContact O-N 3.16Å; L16-F20 WeakPolarHBondContact O-CB 3.49Å; L16-F20 VanDerWaalsContact O-CD2 3.29Å; L16-F20 WeakPolarHBondContact O-CD2 3.48Å; L16-F20 PolarHBondContact O-N 3.49Å
17L52.6Low52.9Low109 Ų109109.9 Ų109.957%0.57157%0.565SS**Hα-helixtrans-68.7-26.7174.3-73.6167.3000112E13 D14 F20 S21E13-L17 WeakPolarHBondContact O-CA 3.46Å; E13-L17 WeakPolarHBondContact O-CB 3.2Å; E13-L17 WeakPolarHBondContact O-CD1 3.29Å; E13-L17 WeakPolarHBondContact O-CG 3.46Å; E13-L17 PolarHBondContact O-N 2.91Å; D14-L17 CarbonylContact O-C 3.45Å; D14-L17 PolarHBondContact O-N 3.4Å; L17-F20 CarbonylContact O-C 3.56Å; L17-S21 WeakPolarHBondContact O-CA 3.16Å; L17-S21 VanDerWaalsContact O-CB 3.22Å; L17-S21 WeakPolarHBondContact O-CB 3.04Å; L17-S21 PolarHBondContact O-N 3.01Å
18Q48Very low53.4Low137 Ų137106.4 Ų106.464%0.6454%0.541SS*.Hα-helixtrans-76.9-33.3173.1-172.1172.726.600111.3D14 L15 L16 F20 S21D14-Q18 WeakPolarHBondContact O-CA 3.1Å; D14-Q18 WeakPolarHBondContact O-CB 3.32Å; D14-Q18 PolarHBondContact O-N 3.05Å; L15-Q18 PolarHBondContact O-N 3.47Å; L16-Q18 VanDerWaalsContact C-N 3.29Å; L16-Q18 PolarHBondContact O-N 3.26Å; Q18-F20 VanDerWaalsContact C-N 3.32Å; Q18-S21 WeakPolarHBondContact O-CB 3.46Å; Q18-S21 PolarHBondContact O-N 3.36Å
19D49.4Very low54Low93 Ų93100.1 Ų100.150%0.49752%0.516SS..Hα-helixtrans-75.1-23.1170.5-147.224.9000112.3L15 L16 K85L15-D19 WeakPolarHBondContact O-CB 3.11Å; L15-D19 PolarHBondContact O-N 3.48Å; L16-D19 CarbonylContact O-C 3.59Å; L16-D19 PolarHBondContact O-N 3.16Å; D19-K85 PolarHBondContact O-NZ 2.81Å
20F46.5Very low54.9Low153 Ų15397.5 Ų97.567%0.67152%0.515SS*.SBendtrans-87.9-13.7165.9-89.4-81.1000113.8L16 L17 Q18 R22L16-F20 WeakPolarHBondContact O-CB 3.49Å; L16-F20 VanDerWaalsContact O-CD2 3.29Å; L16-F20 WeakPolarHBondContact O-CD2 3.48Å; L16-F20 PolarHBondContact O-N 3.49Å; L17-F20 CarbonylContact O-C 3.56Å; Q18-F20 VanDerWaalsContact C-N 3.32Å; F20-R22 PolarHBondContact O-N 3.13Å
21S44.9Very low56Low60 Ų6096.6 Ų96.642%0.4251%0.513SS..SBendtrans-71.5135.2179.5-1760000108.1L17 Q18 N23L17-S21 WeakPolarHBondContact O-CA 3.16Å; L17-S21 VanDerWaalsContact O-CB 3.22Å; L17-S21 WeakPolarHBondContact O-CB 3.04Å; L17-S21 PolarHBondContact O-N 3.01Å; Q18-S21 WeakPolarHBondContact O-CB 3.46Å; Q18-S21 PolarHBondContact O-N 3.36Å; S21-N23 PolarHBondContact O-N 3.07Å
22R49.4Very low56.9Low162 Ų16293.5 Ų93.561%0.61149%0.492SS*.SBendtrans-59.96.9-169.9-163.1166.6162.2-167.8-3.2114.9F20 L24 F82F20-R22 PolarHBondContact O-N 3.13Å; R22-L24 PolarHBondContact O-N 2.85Å; R22-F82 HydrophobicContact CB-CE2 4.48Å; R22-F82 HydrophobicContact CG-CD2 4.05Å; R22-F82 HydrophobicContact CG-CE2 4.25Å
23N49.2Very low57.8Low143 Ų14391.1 Ų91.177%0.76548%0.478SS*.  trans-85.991.7173.9-81.5-20.1000110.2S21 S25S21-N23 PolarHBondContact O-N 3.07Å; N23-S25 PolarHBondContact O-N 2.8Å
24L52.2Low59.3Low35 Ų3587.5 Ų87.518%0.18347%0.47CS..  trans-48.6133.1164.2-64.3162.4000110.2R22 A26 F32 K78 K81R22-L24 PolarHBondContact O-N 2.85Å; L24-A26 PolarHBondContact O-N 3.28Å; L24-F32 HydrophobicContact CD1-CD2 3.74Å; L24-F32 HydrophobicContact CD1-CE2 3.51Å; L24-F32 HydrophobicContact CD2-CE2 4.02Å; L24-F32 HydrophobicContact CG-CE2 4.31Å; L24-K78 HydrophobicContact CD1-CB 4.01Å; L24-K78 HydrophobicContact CD1-CD 3.94Å; L24-K78 HydrophobicContact CD1-CG 3.48Å; L24-K78 VanDerWaalsContact CD1-CG 3.48Å; L24-K81 HydrophobicContact CD2-CD 3.37Å; L24-K81 HydrophobicContact CD2-CG 4.06Å
25S56.6Low60.7Low79 Ų7985.9 Ų85.955%0.55246%0.461SS*.  trans-42.3134.6169.3177.20000110.1N23 K27 S28 T29N23-S25 PolarHBondContact O-N 2.8Å; S25-K27 CarbonylContact O-C 3.38Å; S25-K27 PolarHBondContact O-N 2.73Å; S25-S28 WeakPolarHBondContact O-CA 3.33Å; S25-S28 WeakPolarHBondContact O-CB 3.38Å; S25-S28 PolarHBondContact O-N 3.5Å; S25-T29 PolarHBondContact O-N 2.96Å; S25-T29 VanDerWaalsContact O-N 3.07Å
26A58.5Low61.9Low83 Ų8380.9 Ų80.969%0.68644%0.435SS*.Hα-helixtrans-50.9-31.6-17600000112.4L24 T29 A30L24-A26 PolarHBondContact O-N 3.28Å; A26-T29 PolarHBondContact O-N 2.81Å; A26-A30 WeakPolarHBondContact O-CB 3.35Å; A26-A30 PolarHBondContact O-N 3.21Å
27K62.3Low63.3Low168 Ų16879.6 Ų79.673%0.7343%0.428SS*.Hα-helixtrans-61.7-47.2172.1-64.5-174.9179.6-177.30112.9S25 T29 A30 L31S25-K27 CarbonylContact O-C 3.38Å; S25-K27 PolarHBondContact O-N 2.73Å; K27-T29 VanDerWaalsContact C-N 3.35Å; K27-A30 PolarHBondContact O-N 3.39Å; K27-L31 WeakPolarHBondContact O-CB 3.48Å; K27-L31 VanDerWaalsContact O-CG 3.29Å; K27-L31 WeakPolarHBondContact O-CG 3.19Å; K27-L31 PolarHBondContact O-N 2.95Å
28S62.4Low65Low11 Ų1179.9 Ų79.98%0.07743%0.429CS..Hα-helixtrans-65.9-37.4177-178.20000111.4S25 L31 F32 K81S25-S28 WeakPolarHBondContact O-CA 3.33Å; S25-S28 WeakPolarHBondContact O-CB 3.38Å; S25-S28 PolarHBondContact O-N 3.5Å; S28-L31 PolarHBondContact O-N 3.31Å; S28-F32 WeakPolarHBondContact O-CB 3.36Å; S28-F32 WeakPolarHBondContact O-CD2 3.41Å; S28-F32 WeakPolarHBondContact O-CG 3.47Å; S28-F32 PolarHBondContact O-N 2.82Å; S28-F32 WeakPolarHBondContact OG-CE2 3.34Å; S28-F32 WeakPolarHBondContact OG-CZ 3.33Å; S28-K81 PolarHBondContact OG-NZ 3.36Å; S28-K81 VanDerWaalsContact OG-NZ 3.12Å
29T66.1Low66.8Low32 Ų3273.5 Ų73.520%0.19640%0.4CS..Hα-helixtrans-66.7-44.7175.8-63.60000111.7S25 A26 K27 L31 F32 Y33S25-T29 PolarHBondContact O-N 2.96Å; S25-T29 VanDerWaalsContact O-N 3.07Å; A26-T29 PolarHBondContact O-N 2.81Å; K27-T29 VanDerWaalsContact C-N 3.35Å; T29-L31 VanDerWaalsContact C-N 3.35Å; T29-L31 PolarHBondContact O-N 3.39Å; T29-F32 WeakPolarHBondContact O-CB 3.26Å; T29-F32 PolarHBondContact O-N 2.97Å; T29-Y33 HydrophobicContact CG2-CD2 3.76Å; T29-Y33 HydrophobicContact CG2-CE2 3.81Å; T29-Y33 WeakPolarHBondContact O-CD2 3.41Å; T29-Y33 PolarHBondContact O-N 2.81Å
30A73.6Confident68.5Low65 Ų6569.1 Ų69.154%0.53738%0.376SS..Hα-helixtrans-61.3-43.2175.600000111.8A26 K27 F32 Y33 G34A26-A30 WeakPolarHBondContact O-CB 3.35Å; A26-A30 PolarHBondContact O-N 3.21Å; K27-A30 PolarHBondContact O-N 3.39Å; A30-F32 VanDerWaalsContact C-N 3.29Å; A30-F32 PolarHBondContact O-N 2.98Å; A30-Y33 PolarHBondContact O-N 2.9Å; A30-G34 PolarHBondContact O-N 3.39Å
31L75Confident70.4Confident96 Ų9663.9 Ų63.950%0.50336%0.361SS..Hα-helixtrans-60.6-38174.2-74.5171.8000112.2K27 S28 T29 N35K27-L31 WeakPolarHBondContact O-CB 3.48Å; K27-L31 VanDerWaalsContact O-CG 3.29Å; K27-L31 WeakPolarHBondContact O-CG 3.19Å; K27-L31 PolarHBondContact O-N 2.95Å; S28-L31 PolarHBondContact O-N 3.31Å; T29-L31 VanDerWaalsContact C-N 3.35Å; T29-L31 PolarHBondContact O-N 3.39Å; L31-N35 WeakPolarHBondContact O-CB 3.41Å; L31-N35 PolarHBondContact O-N 3.26Å; L31-N35 PolarHBondContact O-ND2 3.23Å
32F75.2Confident72.4Confident0 Ų064.4 Ų64.40%036%0.359CS..Hα-helixtrans-67.6-49.2176.6-71.1-27.3000113.2L24 S28 T29 A30 G34 N35 A36 Y77 K81 T134 I138L24-F32 HydrophobicContact CD1-CD2 3.74Å; L24-F32 HydrophobicContact CD1-CE2 3.51Å; L24-F32 HydrophobicContact CD2-CE2 4.02Å; L24-F32 HydrophobicContact CG-CE2 4.31Å; S28-F32 WeakPolarHBondContact O-CB 3.36Å; S28-F32 WeakPolarHBondContact O-CD2 3.41Å; S28-F32 WeakPolarHBondContact O-CG 3.47Å; S28-F32 PolarHBondContact O-N 2.82Å; S28-F32 WeakPolarHBondContact OG-CE2 3.34Å; S28-F32 WeakPolarHBondContact OG-CZ 3.33Å; T29-F32 WeakPolarHBondContact O-CB 3.26Å; T29-F32 PolarHBondContact O-N 2.97Å; A30-F32 VanDerWaalsContact C-N 3.29Å; A30-F32 PolarHBondContact O-N 2.98Å; F32-G34 VanDerWaalsContact C-N 3.34Å; F32-G34 PolarHBondContact O-N 2.85Å; F32-N35 PolarHBondContact O-N 3.5Å; F32-A36 WeakPolarHBondContact O-CB 3.12Å; F32-A36 PolarHBondContact O-N 3.23Å; F32-Y77 HydrophobicContact CB-CD2 3.83Å; F32-Y77 AromaticContact CD1-CD2 3.9Å; F32-Y77 HydrophobicContact CD1-CD2 3.9Å; F32-Y77 HydrophobicContact CD1-CG 4.38Å; F32-Y77 HydrophobicContact CG-CD2 4.07Å; F32-Y77 WeakPolarHBondContact O-CE2 3.15Å; F32-K81 HydrophobicContact CE2-CD 3.83Å; F32-K81 HydrophobicContact CZ-CD 3.54Å; F32-T134 HydrophobicContact CD1-CG2 4.42Å; F32-T134 HydrophobicContact CE1-CG2 3.47Å; F32-T134 VanDerWaalsContact CE1-CG2 3.47Å; F32-T134 HydrophobicContact CZ-CG2 3.78Å; F32-I138 HydrophobicContact CD1-CD1 3.92Å; F32-I138 HydrophobicContact CD1-CG1 3.77Å; F32-I138 HydrophobicContact CE1-CD1 3.93Å; F32-I138 HydrophobicContact CE1-CG1 3.77Å
33Y75.9Confident74.1Confident77 Ų7756.7 Ų56.730%0.30233%0.329SS..Hα-helixtrans-65.7-38177.7-83.4-84000112.1T29 A30 A36 L37 T70 A74T29-Y33 HydrophobicContact CG2-CD2 3.76Å; T29-Y33 HydrophobicContact CG2-CE2 3.81Å; T29-Y33 WeakPolarHBondContact O-CD2 3.41Å; T29-Y33 PolarHBondContact O-N 2.81Å; A30-Y33 PolarHBondContact O-N 2.9Å; Y33-A36 PolarHBondContact O-N 2.7Å; Y33-L37 WeakPolarHBondContact O-CB 3.22Å; Y33-L37 WeakPolarHBondContact O-CG 3.38Å; Y33-L37 PolarHBondContact O-N 2.71Å; Y33-T70 HydrophobicContact CD1-CG2 4.2Å; Y33-A74 HydrophobicContact CD1-CB 3.84Å; Y33-A74 HydrophobicContact CD2-CB 4.36Å; Y33-A74 HydrophobicContact CE1-CB 3.67Å; Y33-A74 HydrophobicContact CE2-CB 4.22Å; Y33-A74 HydrophobicContact CG-CB 4.18Å
34G81.7Confident75.9Confident32 Ų3251.6 Ų51.633%0.3330%0.302SS..Hα-helixtrans-61.1-48.2175.300000112.5A30 F32 L37 I38A30-G34 PolarHBondContact O-N 3.39Å; F32-G34 VanDerWaalsContact C-N 3.34Å; F32-G34 PolarHBondContact O-N 2.85Å; G34-L37 PolarHBondContact O-N 3.46Å; G34-I38 WeakPolarHBondContact O-CG1 3.06Å; G34-I38 PolarHBondContact O-N 3.07Å
35N83.6Confident77.6Confident55 Ų5557.1 Ų57.129%0.29432%0.32SS..Hα-helixtrans-68.6-36.5176.9-80.2-82.7000112.6L31 F32 L37 I38 V39 Y77 I138L31-N35 WeakPolarHBondContact O-CB 3.41Å; L31-N35 PolarHBondContact O-N 3.26Å; L31-N35 PolarHBondContact O-ND2 3.23Å; F32-N35 PolarHBondContact O-N 3.5Å; N35-L37 VanDerWaalsContact C-N 3.31Å; N35-L37 PolarHBondContact O-N 3.34Å; N35-I38 PolarHBondContact O-N 2.77Å; N35-V39 PolarHBondContact O-N 3.26Å; N35-Y77 HydrophobicContact CB-CE2 4.38Å; N35-I138 HydrophobicContact CB-CG2 4.05Å
36A81.3Confident78.9Confident0 Ų054.7 Ų54.70%030%0.301CS..Hα-helixtrans-64.2-36.2176.900000112F32 Y33 V39 S40 T70 V73 A74 Y77F32-A36 WeakPolarHBondContact O-CB 3.12Å; F32-A36 PolarHBondContact O-N 3.23Å; Y33-A36 PolarHBondContact O-N 2.7Å; A36-V39 WeakPolarHBondContact O-CG1 3.49Å; A36-S40 VanDerWaalsContact O-CB 3.24Å; A36-S40 WeakPolarHBondContact O-CB 3.42Å; A36-S40 PolarHBondContact O-N 3.39Å; A36-S40 PolarHBondContact O-OG 3.42Å; A36-T70 HydrophobicContact CB-CG2 3.97Å; A36-V73 HydrophobicContact CB-CB 4.36Å; A36-V73 HydrophobicContact CB-CG1 4.06Å; A36-A74 HydrophobicContact CB-CB 4.02Å; A36-Y77 HydrophobicContact CB-CD2 4.41Å; A36-Y77 HydrophobicContact CB-CE2 3.7Å
37L85.8Confident80.1Confident81 Ų8150.8 Ų50.842%0.42427%0.269SS..Hα-helixtrans-65.3-45.6173.8-79.6168.4000111.5Y33 G34 N35 S40 A41 T70Y33-L37 WeakPolarHBondContact O-CB 3.22Å; Y33-L37 WeakPolarHBondContact O-CG 3.38Å; Y33-L37 PolarHBondContact O-N 2.71Å; G34-L37 PolarHBondContact O-N 3.46Å; N35-L37 VanDerWaalsContact C-N 3.31Å; N35-L37 PolarHBondContact O-N 3.34Å; L37-S40 PolarHBondContact O-N 2.83Å; L37-S40 PolarHBondContact O-OG 2.98Å; L37-S40 VanDerWaalsContact O-OG 3.06Å; L37-A41 WeakPolarHBondContact O-CB 3.29Å; L37-A41 PolarHBondContact O-N 3.43Å; L37-A41 VanDerWaalsContact O-N 3.11Å; L37-T70 HydrophobicContact CB-CG2 4.49Å; L37-T70 HydrophobicContact CD2-CG2 3.66Å; L37-T70 WeakPolarHBondContact CD2-OG1 3.29Å; L37-T70 HydrophobicContact CG-CG2 3.62Å
38I86.6Confident81.2Confident115 Ų11547.8 Ų47.859%0.5925%0.253SS*.Hα-helixtrans-62.1-48.4-179.9-65.3166.5000110.1G34 N35 S40 A41 I42G34-I38 WeakPolarHBondContact O-CG1 3.06Å; G34-I38 PolarHBondContact O-N 3.07Å; N35-I38 PolarHBondContact O-N 2.77Å; I38-S40 PolarHBondContact O-N 2.93Å; I38-A41 PolarHBondContact O-N 3.01Å; I38-I42 PolarHBondContact O-N 3.41Å
39V86.1Confident82.3Confident4 Ų454 Ų542%0.02427%0.274CS..Hα-helixtrans-68.1-35.4-177.5770000112.5N35 A36 A41 I42 P43 V73 Y77 N142 F145 L146N35-V39 PolarHBondContact O-N 3.26Å; A36-V39 WeakPolarHBondContact O-CG1 3.49Å; V39-A41 VanDerWaalsContact C-N 3.28Å; V39-A41 PolarHBondContact O-N 2.89Å; V39-I42 HydrophobicContact CG2-CD1 4.24Å; V39-I42 WeakPolarHBondContact O-CB 3.45Å; V39-I42 PolarHBondContact O-N 2.96Å; V39-P43 VanDerWaalsContact O-CD 3.27Å; V39-P43 WeakPolarHBondContact O-CD 3.4Å; V39-V73 HydrophobicContact CG1-CG1 4.04Å; V39-Y77 WeakPolarHBondContact CG1-OH 3.43Å; V39-N142 WeakPolarHBondContact CG1-OD1 3.38Å; V39-N142 HydrophobicContact CG2-CB 4.03Å; V39-F145 HydrophobicContact CG2-CD1 4.05Å; V39-L146 HydrophobicContact CG2-CD1 4.22Å; V39-L146 HydrophobicContact CG2-CD2 4.18Å; V39-L146 HydrophobicContact CG2-CG 4.07Å
40S85.3Confident83.2Confident1 Ų156.2 Ų56.21%0.00728%0.284CS..Hα-helixtrans-76.5-14.5178.9610000113.5A36 L37 I38 P43 T66 T70A36-S40 VanDerWaalsContact O-CB 3.24Å; A36-S40 WeakPolarHBondContact O-CB 3.42Å; A36-S40 PolarHBondContact O-N 3.39Å; A36-S40 PolarHBondContact O-OG 3.42Å; L37-S40 PolarHBondContact O-N 2.83Å; L37-S40 PolarHBondContact O-OG 2.98Å; L37-S40 VanDerWaalsContact O-OG 3.06Å; I38-S40 PolarHBondContact O-N 2.93Å; S40-P43 WeakPolarHBondContact O-CD 3.43Å; S40-T66 WeakPolarHBondContact OG-CG2 3.37Å; S40-T70 PolarHBondContact OG-OG1 3.35Å
41A86.3Confident83.6Confident42 Ų4255.8 Ų55.835%0.34727%0.269SS..Hα-helixtrans-81.6-25.8170.600000112.9L37 I38 V39 I44L37-A41 WeakPolarHBondContact O-CB 3.29Å; L37-A41 PolarHBondContact O-N 3.43Å; L37-A41 VanDerWaalsContact O-N 3.11Å; I38-A41 PolarHBondContact O-N 3.01Å; V39-A41 VanDerWaalsContact C-N 3.28Å; V39-A41 PolarHBondContact O-N 2.89Å; A41-I44 HydrophobicContact CB-CD1 4.32Å; A41-I44 VanDerWaalsContact O-CB 3.27Å; A41-I44 WeakPolarHBondContact O-CB 3.37Å; A41-I44 WeakPolarHBondContact O-CG1 3.35Å; A41-I44 PolarHBondContact O-N 3.35Å
42I87.8Confident83.9Confident72 Ų7259 Ų5937%0.36928%0.281SS..Hα-helixtrans-54.7-44.3-179.7-63.2170.5000112.4I38 V39 I44 W45 L46 L146I38-I42 PolarHBondContact O-N 3.41Å; V39-I42 HydrophobicContact CG2-CD1 4.24Å; V39-I42 WeakPolarHBondContact O-CB 3.45Å; V39-I42 PolarHBondContact O-N 2.96Å; I42-I44 VanDerWaalsContact C-N 3.26Å; I42-I44 PolarHBondContact O-N 2.92Å; I42-W45 WeakPolarHBondContact O-CB 3.24Å; I42-W45 PolarHBondContact O-N 3.45Å; I42-W45 VanDerWaalsContact O-N 3.15Å; I42-L46 PolarHBondContact O-N 2.91Å; I42-L146 HydrophobicContact CB-CD2 4.16Å; I42-L146 HydrophobicContact CD1-CD1 4.25Å; I42-L146 HydrophobicContact CD1-CD2 4.31Å; I42-L146 HydrophobicContact CG2-CD2 3.95Å
43P85.3Confident84.2Confident0 Ų059.6 Ų59.60%028%0.284CS..Hα-helixtrans-62.2-28.5177.5-25.435.5000114.5V39 S40 W45 L46 F47 F145 V149 Y166 I170V39-P43 VanDerWaalsContact O-CD 3.27Å; V39-P43 WeakPolarHBondContact O-CD 3.4Å; S40-P43 WeakPolarHBondContact O-CD 3.43Å; P43-W45 PolarHBondContact O-N 2.98Å; P43-L46 WeakPolarHBondContact O-CB 3.46Å; P43-L46 PolarHBondContact O-N 3.48Å; P43-L46 VanDerWaalsContact O-N 3.12Å; P43-F47 VanDerWaalsContact O-CD2 3.3Å; P43-F47 WeakPolarHBondContact O-CD2 3.24Å; P43-F47 PolarHBondContact O-N 2.84Å; P43-F145 HydrophobicContact CG-CE1 3.86Å; P43-F145 HydrophobicContact CG-CZ 4.18Å; P43-V149 HydrophobicContact CB-CG1 4.17Å; P43-V149 HydrophobicContact CG-CG1 4.15Å; P43-Y166 HydrophobicContact CB-CE2 4.45Å; P43-I170 HydrophobicContact CB-CD1 3.42Å; P43-I170 VanDerWaalsContact CB-CD1 3.42Å; P43-I170 HydrophobicContact CG-CD1 3.62Å
44I87.3Confident84.6Confident36 Ų3659.5 Ų59.519%0.18529%0.288CS..Hα-helixtrans-56.5-44.2175.9-54.9172.7000109.4A41 I42 L46 F47 W48 L55 Y62 T66A41-I44 HydrophobicContact CB-CD1 4.32Å; A41-I44 VanDerWaalsContact O-CB 3.27Å; A41-I44 WeakPolarHBondContact O-CB 3.37Å; A41-I44 WeakPolarHBondContact O-CG1 3.35Å; A41-I44 PolarHBondContact O-N 3.35Å; I42-I44 VanDerWaalsContact C-N 3.26Å; I42-I44 PolarHBondContact O-N 2.92Å; I44-L46 PolarHBondContact O-N 2.71Å; I44-F47 PolarHBondContact O-N 3.39Å; I44-W48 WeakPolarHBondContact O-CB 3.25Å; I44-W48 PolarHBondContact O-N 2.89Å; I44-L55 HydrophobicContact CG2-CD2 4.2Å; I44-Y62 HydrophobicContact CG1-CD1 4.27Å; I44-Y62 HydrophobicContact CG2-CD1 4.03Å; I44-Y62 HydrophobicContact CG2-CD2 4.23Å; I44-Y62 HydrophobicContact CG2-CE1 4.26Å; I44-Y62 HydrophobicContact CG2-CE2 4.44Å; I44-Y62 HydrophobicContact CG2-CG 4.01Å; I44-T66 WeakPolarHBondContact CD1-OG1 3.12Å
45W86.3Confident84.4Confident150 Ų15061.1 Ų61.157%0.56829%0.289SS*.Hα-helixtrans-63.8-41.9178.3-174.787.8000112.2I42 P43 F47 W48 R49I42-W45 WeakPolarHBondContact O-CB 3.24Å; I42-W45 PolarHBondContact O-N 3.45Å; I42-W45 VanDerWaalsContact O-N 3.15Å; P43-W45 PolarHBondContact O-N 2.98Å; W45-F47 PolarHBondContact O-N 2.73Å; W45-W48 PolarHBondContact O-N 3.29Å; W45-R49 HydrophobicContact CD2-CG 4.01Å; W45-R49 HydrophobicContact CG-CG 4.39Å; W45-R49 HydrophobicContact CH2-CG 4.46Å; W45-R49 HydrophobicContact CZ2-CG 3.91Å; W45-R49 WeakPolarHBondContact O-CB 3.41Å; W45-R49 WeakPolarHBondContact O-CG 3.19Å; W45-R49 PolarHBondContact O-N 3.48Å
46L85Confident84.2Confident29 Ų2964.6 Ų64.615%0.15231%0.312CS..Hα-helixtrans-59.7-47.4176.6-72.8170.7000111.8I42 P43 I44 R49 I50 I150I42-L46 PolarHBondContact O-N 2.91Å; P43-L46 WeakPolarHBondContact O-CB 3.46Å; P43-L46 PolarHBondContact O-N 3.48Å; P43-L46 VanDerWaalsContact O-N 3.12Å; I44-L46 PolarHBondContact O-N 2.71Å; L46-R49 PolarHBondContact O-N 3.39Å; L46-I50 HydrophobicContact CD2-CD1 3.86Å; L46-I50 VanDerWaalsContact O-CB 3.27Å; L46-I50 WeakPolarHBondContact O-CB 2.89Å; L46-I50 PolarHBondContact O-N 3.18Å; L46-I150 HydrophobicContact CD1-CG1 4.49Å
47F84.1Confident84.3Confident1 Ų172.4 Ų72.40%0.00435%0.349CS..Hα-helixtrans-73.7-30.7-177.9-81.3-96.5000113.3P43 I44 W45 W51 H52 M53 S153 N165 Y166P43-F47 VanDerWaalsContact O-CD2 3.3Å; P43-F47 WeakPolarHBondContact O-CD2 3.24Å; P43-F47 PolarHBondContact O-N 2.84Å; I44-F47 PolarHBondContact O-N 3.39Å; W45-F47 PolarHBondContact O-N 2.73Å; F47-W51 HydrophobicContact CD1-CB 4.18Å; F47-W51 AromaticContact CD1-CD1 3.57Å; F47-W51 AromaticContact CD1-CG 3.94Å; F47-W51 HydrophobicContact CD1-CG 3.94Å; F47-W51 AromaticContact CE1-CD1 3.83Å; F47-W51 HydrophobicContact CE1-CG 4.33Å; F47-W51 CarbonylContact O-C 3.58Å; F47-W51 WeakPolarHBondContact O-CB 3.21Å; F47-W51 PolarHBondContact O-N 2.96Å; F47-H52 PolarHBondContact O-N 3.48Å; F47-M53 PolarHBondContact O-N 3.43Å; F47-S153 WeakPolarHBondContact CZ-OG 3.37Å; F47-N165 HydrophobicContact CE1-CB 4.15Å; F47-N165 WeakPolarHBondContact CE1-OD1 3.3Å; F47-N165 WeakPolarHBondContact CZ-OD1 3.35Å; F47-Y166 HydrophobicContact CB-CD2 4.11Å; F47-Y166 AromaticContact CD1-CD2 3.96Å; F47-Y166 HydrophobicContact CD1-CD2 3.96Å; F47-Y166 HydrophobicContact CD1-CG 4.29Å; F47-Y166 AromaticContact CD2-CD2 3.47Å; F47-Y166 HydrophobicContact CD2-CD2 3.47Å; F47-Y166 VanDerWaalsContact CD2-CD2 3.47Å; F47-Y166 HydrophobicContact CD2-CE2 4.12Å; F47-Y166 VanDerWaalsContact CE1-CA 3.42Å; F47-Y166 HydrophobicContact CE1-CD2 4.18Å; F47-Y166 HydrophobicContact CE1-CG 4.42Å; F47-Y166 AromaticContact CE2-CD2 3.71Å; F47-Y166 HydrophobicContact CE2-CD2 3.71Å; F47-Y166 HydrophobicContact CE2-CE2 4.49Å; F47-Y166 AromaticContact CG-CD2 3.56Å; F47-Y166 HydrophobicContact CG-CD2 3.56Å; F47-Y166 HydrophobicContact CG-CE2 4.42Å; F47-Y166 HydrophobicContact CG-CG 4.31Å; F47-Y166 HydrophobicContact CZ-CD2 4.04Å
48W84.9Confident84.2Confident105 Ų10569.5 Ų69.540%0.39834%0.335SS..Hα-helixtrans-67-46170.9177.144.8000112.1I44 W45 H52 L55I44-W48 WeakPolarHBondContact O-CB 3.25Å; I44-W48 PolarHBondContact O-N 2.89Å; W45-W48 PolarHBondContact O-N 3.29Å; W48-H52 WeakPolarHBondContact O-CA 3.44Å; W48-H52 PolarHBondContact O-N 3.48Å; W48-L55 HydrophobicContact CB-CG 4.35Å; W48-L55 HydrophobicContact CD2-CD1 3.41Å; W48-L55 VanDerWaalsContact CD2-CD1 3.41Å; W48-L55 HydrophobicContact CD2-CG 4.1Å; W48-L55 HydrophobicContact CE3-CD1 4.01Å; W48-L55 HydrophobicContact CG-CD1 3.67Å; W48-L55 HydrophobicContact CG-CD2 4.46Å; W48-L55 HydrophobicContact CG-CG 3.8Å; W48-L55 HydrophobicContact CH2-CD1 4.22Å; W48-L55 HydrophobicContact CZ2-CD1 3.69Å; W48-L55 HydrophobicContact CZ3-CD1 4.37Å
49R85.8Confident84Confident141 Ų14166.4 Ų66.453%0.53233%0.327SS..Hα-helixtrans-80.7-33.8-173-68.2-59.8-61.5-155.8-3.5114.5W45 L46W45-R49 HydrophobicContact CD2-CG 4.01Å; W45-R49 HydrophobicContact CG-CG 4.39Å; W45-R49 HydrophobicContact CH2-CG 4.46Å; W45-R49 HydrophobicContact CZ2-CG 3.91Å; W45-R49 WeakPolarHBondContact O-CB 3.41Å; W45-R49 WeakPolarHBondContact O-CG 3.19Å; W45-R49 PolarHBondContact O-N 3.48Å; L46-R49 PolarHBondContact O-N 3.39Å
50I84.1Confident84.1Confident79 Ų7971.8 Ų71.841%0.40536%0.36SS..THydrogen-bonded Turntrans-103.9-43.2-170.1-62.2170.6000110.9L46 H52 F154L46-I50 HydrophobicContact CD2-CD1 3.86Å; L46-I50 VanDerWaalsContact O-CB 3.27Å; L46-I50 WeakPolarHBondContact O-CB 2.89Å; L46-I50 PolarHBondContact O-N 3.18Å; I50-H52 VanDerWaalsContact C-N 3.35Å; I50-F154 HydrophobicContact CB-CZ 4.46Å; I50-F154 HydrophobicContact CD1-CE1 3.98Å; I50-F154 HydrophobicContact CD1-CZ 3.49Å; I50-F154 VanDerWaalsContact CD1-CZ 3.49Å; I50-F154 HydrophobicContact CG2-CE1 3.73Å; I50-F154 HydrophobicContact CG2-CZ 4Å
51W82.3Confident84.2Confident56 Ų5673.9 Ų73.921%0.21237%0.37CS..SBendtrans-91.71179.4-67.896.7000113.2F47 M53 S153 K158 P162 N165F47-W51 HydrophobicContact CD1-CB 4.18Å; F47-W51 AromaticContact CD1-CD1 3.57Å; F47-W51 AromaticContact CD1-CG 3.94Å; F47-W51 HydrophobicContact CD1-CG 3.94Å; F47-W51 AromaticContact CE1-CD1 3.83Å; F47-W51 HydrophobicContact CE1-CG 4.33Å; F47-W51 CarbonylContact O-C 3.58Å; F47-W51 WeakPolarHBondContact O-CB 3.21Å; F47-W51 PolarHBondContact O-N 2.96Å; W51-M53 PolarHBondContact O-N 2.97Å; W51-M53 VanDerWaalsContact O-N 3.08Å; W51-S153 WeakPolarHBondContact CZ2-O 3.22Å; W51-S153 PolarHBondContact NE1-OG 2.81Å; W51-K158 HydrophobicContact CH2-CB 4.41Å; W51-K158 WeakPolarHBondContact CH2-O 3.28Å; W51-P162 HydrophobicContact CB-CB 4.17Å; W51-P162 HydrophobicContact CE3-CB 4.43Å; W51-P162 HydrophobicContact CE3-CG 4.08Å; W51-N165 WeakPolarHBondContact CZ2-ND2 3.04Å
52H81.8Confident84.2Confident164 Ų16472.3 Ų72.376%0.75936%0.355SS*.  trans50.432.2178.3-64.8-73.2000114.2F47 W48 I50F47-H52 PolarHBondContact O-N 3.48Å; W48-H52 WeakPolarHBondContact O-CA 3.44Å; W48-H52 PolarHBondContact O-N 3.48Å; I50-H52 VanDerWaalsContact C-N 3.35Å
53M80.3Confident84.1Confident11 Ų1170.5 Ų70.55%0.05435%0.354CS..  trans-70.9135.6176.2-81.1-127.6-56.800111.4F47 W51 L55 Y62 P162 T163 Y166F47-M53 PolarHBondContact O-N 3.43Å; W51-M53 PolarHBondContact O-N 2.97Å; W51-M53 VanDerWaalsContact O-N 3.08Å; M53-L55 PolarHBondContact O-N 3.1Å; M53-Y62 WeakPolarHBondContact CB-OH 3.37Å; M53-Y62 HydrophobicContact CE-CE1 3.71Å; M53-Y62 WeakPolarHBondContact CE-OH 3.47Å; M53-P162 HydrophobicContact CG-CB 3.42Å; M53-P162 VanDerWaalsContact CG-CB 3.42Å; M53-P162 HydrophobicContact SD-CB 3.75Å; M53-T163 PolarHBondContact SD-OG1 3.47Å; M53-Y166 HydrophobicContact CE-CG 4.41Å
54D84.7Confident84.3Confident75 Ų7574.2 Ų74.240%0.40138%0.377SS..  trans-65.6124.2177.8-169.1-64.6000111.6V56 Q57 S58D54-V56 WeakPolarHBondContact OD1-CA 3.4Å; D54-V56 PolarHBondContact OD1-N 3.12Å; D54-Q57 HydrophobicContact CB-CB 4.15Å; D54-Q57 HydrophobicContact CB-CG 4.41Å; D54-Q57 PolarHBondContact OD1-N 2.61Å; D54-S58 WeakPolarHBondContact O-CB 3.49Å; D54-S58 PolarHBondContact O-N 2.84Å; D54-S58 PolarHBondContact O-OG 2.91Å; D54-S58 VanDerWaalsContact O-OG 3.11Å
55L77.1Confident84.3Confident66 Ų6673.4 Ų73.435%0.34637%0.373SS..THydrogen-bonded Turntrans-67.7-40.1-178.8-91.5163.2000113.2I44 W48 M53 A59 Y62I44-L55 HydrophobicContact CG2-CD2 4.2Å; W48-L55 HydrophobicContact CB-CG 4.35Å; W48-L55 HydrophobicContact CD2-CD1 3.41Å; W48-L55 VanDerWaalsContact CD2-CD1 3.41Å; W48-L55 HydrophobicContact CD2-CG 4.1Å; W48-L55 HydrophobicContact CE3-CD1 4.01Å; W48-L55 HydrophobicContact CG-CD1 3.67Å; W48-L55 HydrophobicContact CG-CD2 4.46Å; W48-L55 HydrophobicContact CG-CG 3.8Å; W48-L55 HydrophobicContact CH2-CD1 4.22Å; W48-L55 HydrophobicContact CZ2-CD1 3.69Å; W48-L55 HydrophobicContact CZ3-CD1 4.37Å; M53-L55 PolarHBondContact O-N 3.1Å; L55-A59 VanDerWaalsContact O-CA 3.29Å; L55-A59 WeakPolarHBondContact O-CA 3.11Å; L55-A59 WeakPolarHBondContact O-CB 3.11Å; L55-A59 PolarHBondContact O-N 3.41Å; L55-Y62 HydrophobicContact CD2-CD2 4.49Å; L55-Y62 HydrophobicContact CD2-CE2 4.32Å
56V80.9Confident84.4Confident128 Ų12867 Ų6778%0.77635%0.35SS*.THydrogen-bonded Turntrans-81.3-44.1-170.7-178.50000109.6D54 A59D54-V56 WeakPolarHBondContact OD1-CA 3.4Å; D54-V56 PolarHBondContact OD1-N 3.12Å; V56-A59 WeakPolarHBondContact O-CB 3.44Å; V56-A59 PolarHBondContact O-N 2.84Å
57Q81.8Confident84.5Confident164 Ų16471.1 Ų71.177%0.76637%0.372SS*.THydrogen-bonded Turntrans-68.9-36177.8-65.4-174.6-18.900112D54D54-Q57 HydrophobicContact CB-CB 4.15Å; D54-Q57 HydrophobicContact CB-CG 4.41Å; D54-Q57 PolarHBondContact OD1-N 2.61Å
58S84.4Confident84.7Confident20 Ų2074.3 Ų74.314%0.1439%0.391CS..THydrogen-bonded Turntrans-94.89.3179-49.80000113.5D54 V60 L61 Y62D54-S58 WeakPolarHBondContact O-CB 3.49Å; D54-S58 PolarHBondContact O-N 2.84Å; D54-S58 PolarHBondContact O-OG 2.91Å; D54-S58 VanDerWaalsContact O-OG 3.11Å; S58-V60 VanDerWaalsContact C-N 3.29Å; S58-V60 PolarHBondContact O-N 2.93Å; S58-L61 WeakPolarHBondContact O-CB 3.12Å; S58-L61 PolarHBondContact O-N 2.72Å; S58-Y62 VanDerWaalsContact O-CD2 3.28Å; S58-Y62 WeakPolarHBondContact O-CD2 3.32Å; S58-Y62 PolarHBondContact O-N 3.03Å
59A83.4Confident84.7Confident50 Ų5069.4 Ų69.441%0.41337%0.373SS..Hα-helixtrans-56.3-42.2-174.300000112.8L55 V56 L61 Y62 G63L55-A59 VanDerWaalsContact O-CA 3.29Å; L55-A59 WeakPolarHBondContact O-CA 3.11Å; L55-A59 WeakPolarHBondContact O-CB 3.11Å; L55-A59 PolarHBondContact O-N 3.41Å; V56-A59 WeakPolarHBondContact O-CB 3.44Å; V56-A59 PolarHBondContact O-N 2.84Å; A59-L61 VanDerWaalsContact C-N 3.34Å; A59-L61 PolarHBondContact O-N 2.93Å; A59-Y62 PolarHBondContact O-N 2.9Å; A59-G63 PolarHBondContact O-N 3.32Å
60V87Confident84.7Confident118 Ų11863 Ų6372%0.71535%0.349SS*.Hα-helixtrans-63.5-42.7177.6-179.90000110.7S58 G63 V64S58-V60 VanDerWaalsContact C-N 3.29Å; S58-V60 PolarHBondContact O-N 2.93Å; V60-G63 PolarHBondContact O-N 2.92Å; V60-V64 HydrophobicContact CG1-CG2 4.41Å; V60-V64 VanDerWaalsContact O-CG2 3.31Å; V60-V64 WeakPolarHBondContact O-CG2 3.18Å; V60-V64 PolarHBondContact O-N 2.7Å
61L87.1Confident84.7Confident45 Ų4565.8 Ų65.824%0.23636%0.356CS..Hα-helixtrans-67.4-44.1-179.4-172.8152.8000111.2S58 A59 V64 M65 T163 Y166 I167S58-L61 WeakPolarHBondContact O-CB 3.12Å; S58-L61 PolarHBondContact O-N 2.72Å; A59-L61 VanDerWaalsContact C-N 3.34Å; A59-L61 PolarHBondContact O-N 2.93Å; L61-V64 PolarHBondContact O-N 3.49Å; L61-M65 HydrophobicContact CD2-CG 4.21Å; L61-M65 VanDerWaalsContact O-CB 3.3Å; L61-M65 WeakPolarHBondContact O-CB 3.41Å; L61-M65 WeakPolarHBondContact O-CG 3.1Å; L61-M65 PolarHBondContact O-N 3.42Å; L61-T163 HydrophobicContact CD1-CG2 3.55Å; L61-Y166 HydrophobicContact CD2-CD1 3.39Å; L61-Y166 HydrophobicContact CD2-CE1 3.64Å; L61-I167 HydrophobicContact CD1-CD1 4.03Å; L61-I167 HydrophobicContact CD1-CG1 4.42Å; L61-I167 HydrophobicContact CD2-CG1 4.24Å
62Y85.9Confident84.6Confident8 Ų865.1 Ų65.13%0.03136%0.356CS..Hα-helixtrans-59-46.9171.8-69.8-48.6000111.5I44 M53 L55 S58 A59 V64 M65 T66 Y166I44-Y62 HydrophobicContact CG1-CD1 4.27Å; I44-Y62 HydrophobicContact CG2-CD1 4.03Å; I44-Y62 HydrophobicContact CG2-CD2 4.23Å; I44-Y62 HydrophobicContact CG2-CE1 4.26Å; I44-Y62 HydrophobicContact CG2-CE2 4.44Å; I44-Y62 HydrophobicContact CG2-CG 4.01Å; M53-Y62 WeakPolarHBondContact CB-OH 3.37Å; M53-Y62 HydrophobicContact CE-CE1 3.71Å; M53-Y62 WeakPolarHBondContact CE-OH 3.47Å; L55-Y62 HydrophobicContact CD2-CD2 4.49Å; L55-Y62 HydrophobicContact CD2-CE2 4.32Å; S58-Y62 VanDerWaalsContact O-CD2 3.28Å; S58-Y62 WeakPolarHBondContact O-CD2 3.32Å; S58-Y62 PolarHBondContact O-N 3.03Å; A59-Y62 PolarHBondContact O-N 2.9Å; Y62-V64 PolarHBondContact O-N 2.89Å; Y62-M65 PolarHBondContact O-N 3.23Å; Y62-T66 VanDerWaalsContact O-CB 3.24Å; Y62-T66 WeakPolarHBondContact O-CB 2.99Å; Y62-T66 PolarHBondContact O-N 3.44Å; Y62-T66 PolarHBondContact O-OG1 3.48Å; Y62-Y166 HydrophobicContact CD1-CD1 4.25Å; Y62-Y166 AromaticContact CD1-CE1 3.59Å; Y62-Y166 HydrophobicContact CD1-CE1 3.59Å; Y62-Y166 AromaticContact CD1-CE2 4Å; Y62-Y166 HydrophobicContact CD1-CE2 4Å; Y62-Y166 AromaticContact CD1-CZ 3.46Å; Y62-Y166 VanDerWaalsContact CD1-CZ 3.46Å; Y62-Y166 HydrophobicContact CE1-CD1 4.24Å; Y62-Y166 HydrophobicContact CE1-CD2 4.18Å; Y62-Y166 AromaticContact CE1-CE1 3.99Å; Y62-Y166 HydrophobicContact CE1-CE1 3.99Å; Y62-Y166 AromaticContact CE1-CE2 3.96Å; Y62-Y166 HydrophobicContact CE1-CE2 3.96Å; Y62-Y166 HydrophobicContact CE1-CG 4.31Å; Y62-Y166 AromaticContact CE1-CZ 3.87Å
63G86Confident84.5Confident34 Ų3457.3 Ų57.335%0.35132%0.32SS..Hα-helixtrans-57.9-51.4177.800000112.8A59 V60 T66 L67A59-G63 PolarHBondContact O-N 3.32Å; V60-G63 PolarHBondContact O-N 2.92Å; G63-T66 PolarHBondContact O-N 2.77Å; G63-L67 VanDerWaalsContact O-CG 3.27Å; G63-L67 WeakPolarHBondContact O-CG 3.36Å; G63-L67 PolarHBondContact O-N 3.19Å
64V89.1Confident84.3Confident79 Ų7956.8 Ų56.848%0.47932%0.317SS..Hα-helixtrans-62.2-47.6-179.9172.30000111.1V60 L61 Y62 T66 L67 V68V60-V64 HydrophobicContact CG1-CG2 4.41Å; V60-V64 VanDerWaalsContact O-CG2 3.31Å; V60-V64 WeakPolarHBondContact O-CG2 3.18Å; V60-V64 PolarHBondContact O-N 2.7Å; L61-V64 PolarHBondContact O-N 3.49Å; Y62-V64 PolarHBondContact O-N 2.89Å; V64-T66 PolarHBondContact O-N 2.95Å; V64-L67 PolarHBondContact O-N 3.05Å; V64-V68 HydrophobicContact CG1-CG2 4.44Å; V64-V68 WeakPolarHBondContact O-CG2 3.45Å; V64-V68 PolarHBondContact O-N 3.02Å
65M88.9Confident83.8Confident18 Ų1856.7 Ų56.79%0.08931%0.314CS..Hα-helixtrans-67.1-37.5-177.7-69.8-59-5800112.5L61 Y62 S69 Y166 I167 I170 S171L61-M65 HydrophobicContact CD2-CG 4.21Å; L61-M65 VanDerWaalsContact O-CB 3.3Å; L61-M65 WeakPolarHBondContact O-CB 3.41Å; L61-M65 WeakPolarHBondContact O-CG 3.1Å; L61-M65 PolarHBondContact O-N 3.42Å; Y62-M65 PolarHBondContact O-N 3.23Å; M65-S69 WeakPolarHBondContact O-CB 3.09Å; M65-S69 PolarHBondContact O-N 3.28Å; M65-Y166 HydrophobicContact CB-CD1 4.49Å; M65-Y166 HydrophobicContact CB-CE1 3.53Å; M65-Y166 HydrophobicContact CG-CD1 4.25Å; M65-Y166 HydrophobicContact CG-CE1 3.71Å; M65-I167 HydrophobicContact CE-CB 4.47Å; M65-I167 HydrophobicContact CE-CG2 4.24Å; M65-I167 WeakPolarHBondContact CE-O 3.38Å; M65-I167 HydrophobicContact SD-CG1 4.34Å; M65-I167 HydrophobicContact SD-CG2 4.25Å; M65-I170 HydrophobicContact CE-CB 3.78Å; M65-I170 HydrophobicContact CE-CG2 3.72Å; M65-S171 WeakPolarHBondContact CE-OG 3.44Å
66T87.9Confident83.6Confident16 Ų1653.5 Ų53.510%0.09830%0.297CS..Hα-helixtrans-66.2-39.7174.5-67.30000111.5S40 I44 Y62 G63 V64 T70S40-T66 WeakPolarHBondContact OG-CG2 3.37Å; I44-T66 WeakPolarHBondContact CD1-OG1 3.12Å; Y62-T66 VanDerWaalsContact O-CB 3.24Å; Y62-T66 WeakPolarHBondContact O-CB 2.99Å; Y62-T66 PolarHBondContact O-N 3.44Å; Y62-T66 PolarHBondContact O-OG1 3.48Å; G63-T66 PolarHBondContact O-N 2.77Å; V64-T66 PolarHBondContact O-N 2.95Å; T66-T70 WeakPolarHBondContact O-CB 3.46Å; T66-T70 PolarHBondContact O-N 3.37Å; T66-T70 PolarHBondContact O-OG1 3.25Å
67L87.4Confident83.1Confident116 Ų11647.4 Ų47.461%0.60726%0.26SS*.Hα-helixtrans-65-46.6175.7-71.8173.3000112.1G63 V64 T70 Y71G63-L67 VanDerWaalsContact O-CG 3.27Å; G63-L67 WeakPolarHBondContact O-CG 3.36Å; G63-L67 PolarHBondContact O-N 3.19Å; V64-L67 PolarHBondContact O-N 3.05Å; L67-T70 PolarHBondContact O-N 3.24Å; L67-Y71 PolarHBondContact O-N 3.48Å
68V88Confident82.3Confident68 Ų6842.7 Ų42.741%0.41224%0.237SC..Hα-helixtrans-62-47.3177.1172.10000110.6V64 Y71 L72V64-V68 HydrophobicContact CG1-CG2 4.44Å; V64-V68 WeakPolarHBondContact O-CG2 3.45Å; V64-V68 PolarHBondContact O-N 3.02Å; V68-Y71 PolarHBondContact O-N 2.81Å; V68-L72 HydrophobicContact CG1-CD1 3.72Å; V68-L72 WeakPolarHBondContact O-CD1 3.47Å; V68-L72 PolarHBondContact O-N 3.17Å
69S84.5Confident81.5Confident1 Ų142.4 Ų42.41%0.00723%0.234CC..Hα-helixtrans-61.7-44.6177.4-178.10000111.9M65 Y71 L72 V73 F145M65-S69 WeakPolarHBondContact O-CB 3.09Å; M65-S69 PolarHBondContact O-N 3.28Å; S69-Y71 VanDerWaalsContact C-N 3.29Å; S69-Y71 PolarHBondContact O-N 3.16Å; S69-L72 PolarHBondContact O-N 3.3Å; S69-V73 VanDerWaalsContact O-CB 3.32Å; S69-V73 WeakPolarHBondContact O-CB 3.5Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.41Å; S69-V73 PolarHBondContact O-N 3Å; S69-F145 WeakPolarHBondContact OG-CZ 3.23Å
70T86.3Confident80.5Confident6 Ų640.6 Ų40.64%0.03722%0.218CC..Hα-helixtrans-55.7-46.6175-65.40000111Y33 A36 L37 S40 T66 L67 A74Y33-T70 HydrophobicContact CD1-CG2 4.2Å; A36-T70 HydrophobicContact CB-CG2 3.97Å; L37-T70 HydrophobicContact CB-CG2 4.49Å; L37-T70 HydrophobicContact CD2-CG2 3.66Å; L37-T70 WeakPolarHBondContact CD2-OG1 3.29Å; L37-T70 HydrophobicContact CG-CG2 3.62Å; S40-T70 PolarHBondContact OG-OG1 3.35Å; T66-T70 WeakPolarHBondContact O-CB 3.46Å; T66-T70 PolarHBondContact O-N 3.37Å; T66-T70 PolarHBondContact O-OG1 3.25Å; L67-T70 PolarHBondContact O-N 3.24Å; T70-A74 WeakPolarHBondContact O-CB 3.5Å; T70-A74 PolarHBondContact O-N 3.39Å
71Y83Confident78.9Confident138 Ų13835.6 Ų35.654%0.54119%0.186SC..Hα-helixtrans-62-46.8179.8178.7-96.4000111.7L67 V68 S69 F75L67-Y71 PolarHBondContact O-N 3.48Å; V68-Y71 PolarHBondContact O-N 2.81Å; S69-Y71 VanDerWaalsContact C-N 3.29Å; S69-Y71 PolarHBondContact O-N 3.16Å; Y71-F75 VanDerWaalsContact O-CB 3.25Å; Y71-F75 WeakPolarHBondContact O-CB 3.17Å; Y71-F75 PolarHBondContact O-N 2.7Å
72L79.9Confident77.4Confident42 Ų4238.7 Ų38.722%0.2220%0.198CC..Hα-helixtrans-66.2-41.9179.1-78.7152.1000112.8V68 S69 F75 A76 S174 A178V68-L72 HydrophobicContact CG1-CD1 3.72Å; V68-L72 WeakPolarHBondContact O-CD1 3.47Å; V68-L72 PolarHBondContact O-N 3.17Å; S69-L72 PolarHBondContact O-N 3.3Å; L72-F75 WeakPolarHBondContact O-CB 3.27Å; L72-F75 PolarHBondContact O-N 2.89Å; L72-A76 WeakPolarHBondContact O-CB 3.02Å; L72-A76 PolarHBondContact O-N 3.4Å; L72-S174 WeakPolarHBondContact CD1-OG 3.36Å; L72-A178 HydrophobicContact CD2-CB 3.81Å
73V79.8Confident75.7Confident0 Ų039.6 Ų39.60%020%0.204CC..Hα-helixtrans-68.7-43177.5171.80000110.5A36 V39 S69 F75 A76 Y77 F145A36-V73 HydrophobicContact CB-CB 4.36Å; A36-V73 HydrophobicContact CB-CG1 4.06Å; V39-V73 HydrophobicContact CG1-CG1 4.04Å; S69-V73 VanDerWaalsContact O-CB 3.32Å; S69-V73 WeakPolarHBondContact O-CB 3.5Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.41Å; S69-V73 PolarHBondContact O-N 3Å; V73-F75 VanDerWaalsContact C-N 3.31Å; V73-F75 PolarHBondContact O-N 3.34Å; V73-A76 CarbonylContact O-C 3.59Å; V73-A76 WeakPolarHBondContact O-CB 3.18Å; V73-A76 PolarHBondContact O-N 3.42Å; V73-Y77 HydrophobicContact CG1-CD1 4.13Å; V73-Y77 HydrophobicContact CG1-CE1 3.4Å; V73-Y77 VanDerWaalsContact CG1-CE1 3.4Å; V73-Y77 HydrophobicContact CG1-CE2 4.07Å; V73-Y77 WeakPolarHBondContact CG1-OH 3.37Å; V73-Y77 VanDerWaalsContact O-CD1 3.3Å; V73-Y77 WeakPolarHBondContact O-CD1 3.34Å; V73-Y77 PolarHBondContact O-N 2.95Å; V73-F145 HydrophobicContact CG2-CD2 3.97Å; V73-F145 HydrophobicContact CG2-CE2 4.2Å; V73-F145 HydrophobicContact CG2-CG 4.28Å
74A76.4Confident74.1Confident0 Ų039.3 Ų39.30%020%0.195CC..Hα-helixtrans-62-41173.300000111.2Y33 A36 T70 A76 Y77 K78Y33-A74 HydrophobicContact CD1-CB 3.84Å; Y33-A74 HydrophobicContact CD2-CB 4.36Å; Y33-A74 HydrophobicContact CE1-CB 3.67Å; Y33-A74 HydrophobicContact CE2-CB 4.22Å; Y33-A74 HydrophobicContact CG-CB 4.18Å; A36-A74 HydrophobicContact CB-CB 4.02Å; T70-A74 WeakPolarHBondContact O-CB 3.5Å; T70-A74 PolarHBondContact O-N 3.39Å; A74-A76 VanDerWaalsContact C-N 3.33Å; A74-A76 PolarHBondContact O-N 2.86Å; A74-Y77 WeakPolarHBondContact O-CB 3.36Å; A74-Y77 PolarHBondContact O-N 3.44Å; A74-K78 WeakPolarHBondContact O-CG 3.04Å; A74-K78 PolarHBondContact O-N 3.28Å
75F75.4Confident72.2Confident73 Ų7339.7 Ų39.732%0.3219%0.19SC..Hα-helixtrans-60.4-43.2174-179.7-102.3000111.7Y71 L72 V73 K78 N79 A178Y71-F75 VanDerWaalsContact O-CB 3.25Å; Y71-F75 WeakPolarHBondContact O-CB 3.17Å; Y71-F75 PolarHBondContact O-N 2.7Å; L72-F75 WeakPolarHBondContact O-CB 3.27Å; L72-F75 PolarHBondContact O-N 2.89Å; V73-F75 VanDerWaalsContact C-N 3.31Å; V73-F75 PolarHBondContact O-N 3.34Å; F75-K78 PolarHBondContact O-N 3.42Å; F75-N79 WeakPolarHBondContact CE1-ND2 3.26Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.4Å; F75-N79 PolarHBondContact O-N 2.76Å; F75-A178 HydrophobicContact CD1-CB 4.2Å
76A72.8Confident70.2Confident0 Ų044.8 Ų44.80%021%0.213CC..Hα-helixtrans-65.5-37.9174.100000112.8L72 V73 A74 K78 N79 V80 I177 S181L72-A76 WeakPolarHBondContact O-CB 3.02Å; L72-A76 PolarHBondContact O-N 3.4Å; V73-A76 CarbonylContact O-C 3.59Å; V73-A76 WeakPolarHBondContact O-CB 3.18Å; V73-A76 PolarHBondContact O-N 3.42Å; A74-A76 VanDerWaalsContact C-N 3.33Å; A74-A76 PolarHBondContact O-N 2.86Å; A76-K78 VanDerWaalsContact C-N 3.28Å; A76-K78 PolarHBondContact O-N 3.46Å; A76-N79 PolarHBondContact O-N 2.7Å; A76-V80 VanDerWaalsContact O-CB 3.28Å; A76-V80 WeakPolarHBondContact O-CB 3.16Å; A76-V80 VanDerWaalsContact O-CG2 3.31Å; A76-V80 WeakPolarHBondContact O-CG2 3.17Å; A76-V80 PolarHBondContact O-N 2.92Å; A76-I177 HydrophobicContact CB-CG2 3.45Å; A76-I177 VanDerWaalsContact CB-CG2 3.45Å; A76-S181 PolarHBondContact O-OG 3.23Å; A76-S181 VanDerWaalsContact O-OG 3.06Å
77Y69.1Low68.2Low0 Ų048.8 Ų48.80%023%0.229CC..Hα-helixtrans-59-42.5172.5-63.6-14000111.5F32 N35 A36 V39 V73 A74 K81 N141 N142F32-Y77 HydrophobicContact CB-CD2 3.83Å; F32-Y77 AromaticContact CD1-CD2 3.9Å; F32-Y77 HydrophobicContact CD1-CD2 3.9Å; F32-Y77 HydrophobicContact CD1-CG 4.38Å; F32-Y77 HydrophobicContact CG-CD2 4.07Å; F32-Y77 WeakPolarHBondContact O-CE2 3.15Å; N35-Y77 HydrophobicContact CB-CE2 4.38Å; A36-Y77 HydrophobicContact CB-CD2 4.41Å; A36-Y77 HydrophobicContact CB-CE2 3.7Å; V39-Y77 WeakPolarHBondContact CG1-OH 3.43Å; V73-Y77 HydrophobicContact CG1-CD1 4.13Å; V73-Y77 HydrophobicContact CG1-CE1 3.4Å; V73-Y77 VanDerWaalsContact CG1-CE1 3.4Å; V73-Y77 HydrophobicContact CG1-CE2 4.07Å; V73-Y77 WeakPolarHBondContact CG1-OH 3.37Å; V73-Y77 VanDerWaalsContact O-CD1 3.3Å; V73-Y77 WeakPolarHBondContact O-CD1 3.34Å; V73-Y77 PolarHBondContact O-N 2.95Å; A74-Y77 WeakPolarHBondContact O-CB 3.36Å; A74-Y77 PolarHBondContact O-N 3.44Å; Y77-K81 WeakPolarHBondContact O-CB 3.29Å; Y77-K81 PolarHBondContact O-N 3.33Å; Y77-N141 HydrophobicContact CD1-CB 3.4Å; Y77-N141 VanDerWaalsContact CD1-CB 3.4Å; Y77-N141 HydrophobicContact CE1-CB 3.37Å; Y77-N142 VanDerWaalsContact CZ-OD1 3.32Å; Y77-N142 PolarHBondContact OH-OD1 2.95Å
78K66.8Low66.3Low65 Ų6545.8 Ų45.828%0.28322%0.215SC..Hα-helixtrans-64.5-46.4178.5-64.2-167.1175.51770111.6L24 A74 F75 A76 F82L24-K78 HydrophobicContact CD1-CB 4.01Å; L24-K78 HydrophobicContact CD1-CD 3.94Å; L24-K78 HydrophobicContact CD1-CG 3.48Å; L24-K78 VanDerWaalsContact CD1-CG 3.48Å; A74-K78 WeakPolarHBondContact O-CG 3.04Å; A74-K78 PolarHBondContact O-N 3.28Å; F75-K78 PolarHBondContact O-N 3.42Å; A76-K78 VanDerWaalsContact C-N 3.28Å; A76-K78 PolarHBondContact O-N 3.46Å; K78-F82 WeakPolarHBondContact O-CB 3.49Å; K78-F82 PolarHBondContact O-N 3.44Å
79N66.4Low64.3Low13 Ų1345.2 Ų45.27%0.0722%0.218CC..Hα-helixtrans-73.5-39.9-177.8-77.6-12.7000112.2F75 A76 F82 V83 S181F75-N79 WeakPolarHBondContact CE1-ND2 3.26Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.4Å; F75-N79 PolarHBondContact O-N 2.76Å; A76-N79 PolarHBondContact O-N 2.7Å; N79-F82 WeakPolarHBondContact O-CB 3.37Å; N79-F82 PolarHBondContact O-N 3.47Å; N79-F82 VanDerWaalsContact O-N 3.17Å; N79-V83 WeakPolarHBondContact O-CG2 3.37Å; N79-V83 PolarHBondContact O-N 2.98Å; N79-S181 WeakPolarHBondContact CB-OG 3.49Å
80V62.1Low62.3Low12 Ų1251.1 Ų51.17%0.07325%0.246CC..Hα-helixtrans-63.2-44.1171.7172.50000110A76 F82 V83 L84 N141 S181A76-V80 VanDerWaalsContact O-CB 3.28Å; A76-V80 WeakPolarHBondContact O-CB 3.16Å; A76-V80 VanDerWaalsContact O-CG2 3.31Å; A76-V80 WeakPolarHBondContact O-CG2 3.17Å; A76-V80 PolarHBondContact O-N 2.92Å; V80-F82 PolarHBondContact O-N 3.39Å; V80-V83 PolarHBondContact O-N 2.96Å; V80-L84 HydrophobicContact CG1-CD1 4.01Å; V80-L84 VanDerWaalsContact O-CB 3.26Å; V80-L84 WeakPolarHBondContact O-CB 3.46Å; V80-L84 PolarHBondContact O-N 3.47Å; V80-N141 VanDerWaalsContact CB-ND2 3.34Å; V80-N141 WeakPolarHBondContact CB-ND2 3.26Å; V80-N141 WeakPolarHBondContact CG2-ND2 3.37Å; V80-N141 WeakPolarHBondContact CG2-OD1 3.37Å; V80-S181 VanDerWaalsContact CG2-OG 3.25Å; V80-S181 WeakPolarHBondContact CG2-OG 3.46Å; V80-S181 PolarHBondContact N-OG 3.37Å
81K54.3Low60.5Low14 Ų1459.8 Ų59.86%0.06128%0.283CS..Hα-helixtrans-58-37.2174.1176.2160.8169.4174.70111.6L24 S28 F32 Y77 K85 D130 T134L24-K81 HydrophobicContact CD2-CD 3.37Å; L24-K81 HydrophobicContact CD2-CG 4.06Å; S28-K81 PolarHBondContact OG-NZ 3.36Å; S28-K81 VanDerWaalsContact OG-NZ 3.12Å; F32-K81 HydrophobicContact CE2-CD 3.83Å; F32-K81 HydrophobicContact CZ-CD 3.54Å; Y77-K81 WeakPolarHBondContact O-CB 3.29Å; Y77-K81 PolarHBondContact O-N 3.33Å; K81-K85 VanDerWaalsContact O-CB 3.23Å; K81-K85 WeakPolarHBondContact O-CB 3.29Å; K81-K85 PolarHBondContact O-N 3.06Å; K81-D130 IonicContact NZ-OD1 3.54Å; K81-T134 PolarHBondContact NZ-OG1 3Å; K81-T134 VanDerWaalsContact NZ-OG1 3.1Å
82F54.5Low58.8Low109 Ų10959.3 Ų59.348%0.47828%0.28SS..Hα-helixtrans-67.5-47.4176.4-172.6-97.7000112.7R22 K78 N79 V80 K85 H86R22-F82 HydrophobicContact CB-CE2 4.48Å; R22-F82 HydrophobicContact CG-CD2 4.05Å; R22-F82 HydrophobicContact CG-CE2 4.25Å; K78-F82 WeakPolarHBondContact O-CB 3.49Å; K78-F82 PolarHBondContact O-N 3.44Å; N79-F82 WeakPolarHBondContact O-CB 3.37Å; N79-F82 PolarHBondContact O-N 3.47Å; N79-F82 VanDerWaalsContact O-N 3.17Å; V80-F82 PolarHBondContact O-N 3.39Å; F82-K85 PolarHBondContact O-N 3.02Å; F82-H86 PolarHBondContact O-N 2.91Å
83V51.8Low57.1Low27 Ų2763.6 Ų63.616%0.16430%0.299CS..Hα-helixtrans-64-43.3175.4169.40000111.4N79 V80 H86 K87N79-V83 WeakPolarHBondContact O-CG2 3.37Å; N79-V83 PolarHBondContact O-N 2.98Å; V80-V83 PolarHBondContact O-N 2.96Å; V83-H86 PolarHBondContact O-N 2.97Å; V83-K87 HydrophobicContact CG1-CD 4.27Å; V83-K87 PolarHBondContact O-N 3.38Å; V83-K87 VanDerWaalsContact O-N 3.08Å
84L52.5Low55.5Low29 Ų2969.3 Ų69.315%0.15233%0.329CS..Hα-helixtrans-69.7-32.5177.4-111.771.9000111.6V80 H86 K87 V88 F136V80-L84 HydrophobicContact CG1-CD1 4.01Å; V80-L84 VanDerWaalsContact O-CB 3.26Å; V80-L84 WeakPolarHBondContact O-CB 3.46Å; V80-L84 PolarHBondContact O-N 3.47Å; L84-H86 PolarHBondContact O-N 3.47Å; L84-K87 PolarHBondContact O-N 3.25Å; L84-V88 HydrophobicContact CB-CG2 4.15Å; L84-V88 HydrophobicContact CD2-CG2 4.14Å; L84-V88 HydrophobicContact CG-CG2 3.88Å; L84-V88 WeakPolarHBondContact O-CA 2.98Å; L84-V88 WeakPolarHBondContact O-CB 3.31Å; L84-V88 WeakPolarHBondContact O-CG2 3.47Å; L84-V88 PolarHBondContact O-N 3.28Å; L84-F136 HydrophobicContact CD2-CD1 3.23Å; L84-F136 HydrophobicContact CD2-CE1 3.57Å; L84-F136 HydrophobicContact CD2-CG 4.27Å
85K49.2Very low54.2Low87 Ų8771.4 Ų71.438%0.37835%0.346SS..Hα-helixtrans-58.3-40.1175.6-165.6174.2-178.8-179.30110.2D19 K81 F82 A89D19-K85 PolarHBondContact O-NZ 2.81Å; K81-K85 VanDerWaalsContact O-CB 3.23Å; K81-K85 WeakPolarHBondContact O-CB 3.29Å; K81-K85 PolarHBondContact O-N 3.06Å; F82-K85 PolarHBondContact O-N 3.02Å; K85-A89 WeakPolarHBondContact O-CB 3.45Å; K85-A89 PolarHBondContact O-N 3.35Å
86H45.4Very low52.9Low124 Ų12471 Ų7157%0.57435%0.35SS*.Hα-helixtrans-74.1-43.8175.7-164.9-52.4000113.4F82 V83 L84 Q90F82-H86 PolarHBondContact O-N 2.91Å; V83-H86 PolarHBondContact O-N 2.97Å; L84-H86 PolarHBondContact O-N 3.47Å; H86-Q90 PolarHBondContact O-N 3.27Å; H86-Q90 VanDerWaalsContact O-N 3.16Å
87K46.4Very low51.7Low100 Ų10074.3 Ų74.344%0.43537%0.373SS..Hα-helixtrans-73.9-35.4-179.3-75.3-177.9177.6175.10113.3V83 L84 K91 S184V83-K87 HydrophobicContact CG1-CD 4.27Å; V83-K87 PolarHBondContact O-N 3.38Å; V83-K87 VanDerWaalsContact O-N 3.08Å; L84-K87 PolarHBondContact O-N 3.25Å; K87-K91 WeakPolarHBondContact O-CB 3.09Å; K87-K91 PolarHBondContact O-N 3Å; K87-S184 PolarHBondContact NZ-OG 3.23Å
88V48.3Very low51Low53 Ų5382 Ų8232%0.32141%0.406SS..Hα-helixtrans-75.1-38.9174.9177.20000109.9L84 Q90 K91 R92L84-V88 HydrophobicContact CB-CG2 4.15Å; L84-V88 HydrophobicContact CD2-CG2 4.14Å; L84-V88 HydrophobicContact CG-CG2 3.88Å; L84-V88 WeakPolarHBondContact O-CA 2.98Å; L84-V88 WeakPolarHBondContact O-CB 3.31Å; L84-V88 WeakPolarHBondContact O-CG2 3.47Å; L84-V88 PolarHBondContact O-N 3.28Å; V88-Q90 VanDerWaalsContact C-N 3.33Å; V88-Q90 PolarHBondContact O-N 3.36Å; V88-K91 PolarHBondContact O-N 3.04Å; V88-R92 HydrophobicContact CG1-CB 4.23Å; V88-R92 HydrophobicContact CG1-CG 3.7Å; V88-R92 WeakPolarHBondContact O-CA 3.27Å; V88-R92 WeakPolarHBondContact O-CB 3.34Å; V88-R92 PolarHBondContact O-N 3.4Å
89A45.2Very low50.3Low56 Ų5682.6 Ų82.646%0.46341%0.41SS..Hα-helixtrans-56.3-46.9170.800000111.3K85 E93K85-A89 WeakPolarHBondContact O-CB 3.45Å; K85-A89 PolarHBondContact O-N 3.35Å; A89-E93 VanDerWaalsContact O-CB 3.26Å; A89-E93 WeakPolarHBondContact O-CB 3.25Å; A89-E93 PolarHBondContact O-N 3.45Å
90Q41.8Very low49.6Very low126 Ų12683.7 Ų83.759%0.58942%0.418SS*.Hα-helixtrans-69.2-37.3177-83.6-177.1-35.400114.6H86 V88H86-Q90 PolarHBondContact O-N 3.27Å; H86-Q90 VanDerWaalsContact O-N 3.16Å; V88-Q90 VanDerWaalsContact C-N 3.33Å; V88-Q90 PolarHBondContact O-N 3.36Å
91K50.4Low49.1Very low187 Ų18787.6 Ų87.681%0.81344%0.442SS*.Hα-helixtrans-83.7-24.2179.9-102.5-175.4173.1-175.20114.3K87 V88K87-K91 WeakPolarHBondContact O-CB 3.09Å; K87-K91 PolarHBondContact O-N 3Å; V88-K91 PolarHBondContact O-N 3.04Å
92R46.6Very low48.9Very low128 Ų12894.1 Ų94.148%0.48347%0.466SS..Hα-helixtrans-100-11.7178.8-72.1-76-160.7178.76.6112.4V88 D94 A95 V96 E132V88-R92 HydrophobicContact CG1-CB 4.23Å; V88-R92 HydrophobicContact CG1-CG 3.7Å; V88-R92 WeakPolarHBondContact O-CA 3.27Å; V88-R92 WeakPolarHBondContact O-CB 3.34Å; V88-R92 PolarHBondContact O-N 3.4Å; R92-D94 VanDerWaalsContact C-N 3.29Å; R92-D94 PolarHBondContact O-N 3.37Å; R92-A95 PolarHBondContact O-N 2.85Å; R92-V96 HydrophobicContact CB-CG2 3.94Å; R92-V96 WeakPolarHBondContact O-CA 3.28Å; R92-V96 WeakPolarHBondContact O-CB 3.49Å; R92-V96 WeakPolarHBondContact O-CG2 2.96Å; R92-V96 PolarHBondContact O-N 2.89Å; R92-E132 IonicContact NH2-OE2 3.75Å
93E44.7Very low48.7Very low133 Ų13395 Ų9562%0.62147%0.469SS*.Hα-helixtrans-53-48.1173.4-119.6-175150.100111.4A89 A95 S97A89-E93 VanDerWaalsContact O-CB 3.26Å; A89-E93 WeakPolarHBondContact O-CB 3.25Å; A89-E93 PolarHBondContact O-N 3.45Å; E93-A95 PolarHBondContact O-N 2.81Å; E93-S97 WeakPolarHBondContact O-CA 3.25Å; E93-S97 WeakPolarHBondContact O-CB 3.41Å; E93-S97 PolarHBondContact O-N 2.77Å
94D45.2Very low48.5Very low120 Ų12098.5 Ų98.564%0.64249%0.486SS*.Hα-helixtrans-70-35.9-178-73.4-30.1000113.4R92 K98R92-D94 VanDerWaalsContact C-N 3.29Å; R92-D94 PolarHBondContact O-N 3.37Å; D94-K98 WeakPolarHBondContact O-CB 3.48Å; D94-K98 VanDerWaalsContact O-CG 3.29Å; D94-K98 WeakPolarHBondContact O-CG 3.31Å; D94-K98 PolarHBondContact O-N 3.2Å
95A49.8Very low48.2Very low43 Ų43101.9 Ų101.936%0.35551%0.513SS..Hα-helixtrans-78.9-40179.300000111.9R92 E93 K98 E99R92-A95 PolarHBondContact O-N 2.85Å; E93-A95 PolarHBondContact O-N 2.81Å; A95-K98 PolarHBondContact O-N 2.98Å; A95-E99 WeakPolarHBondContact O-CB 3.41Å; A95-E99 PolarHBondContact O-N 2.92Å
96V46.9Very low48.2Very low66 Ų66105.9 Ų105.940%0.453%0.533SS..Hα-helixtrans-71.2-40.3176.6174.20000109.5R92 K98 E99 V100R92-V96 HydrophobicContact CB-CG2 3.94Å; R92-V96 WeakPolarHBondContact O-CA 3.28Å; R92-V96 WeakPolarHBondContact O-CB 3.49Å; R92-V96 WeakPolarHBondContact O-CG2 2.96Å; R92-V96 PolarHBondContact O-N 2.89Å; V96-K98 VanDerWaalsContact C-N 3.33Å; V96-K98 PolarHBondContact O-N 2.99Å; V96-E99 CarbonylContact O-C 3.58Å; V96-E99 PolarHBondContact O-N 3.24Å; V96-V100 HydrophobicContact CG1-CG2 3.72Å; V96-V100 WeakPolarHBondContact O-CB 3.49Å; V96-V100 WeakPolarHBondContact O-CG2 3.21Å; V96-V100 PolarHBondContact O-N 3.06Å
97S47.7Very low48.4Very low69 Ų69103.6 Ų103.648%0.48354%0.536SS..Hα-helixtrans-59.8-40.9172.6-174.40000111.9E93 T101E93-S97 WeakPolarHBondContact O-CA 3.25Å; E93-S97 WeakPolarHBondContact O-CB 3.41Å; E93-S97 PolarHBondContact O-N 2.77Å; S97-T101 VanDerWaalsContact O-CB 3.24Å; S97-T101 WeakPolarHBondContact O-CB 3.24Å; S97-T101 PolarHBondContact O-N 3.35Å; S97-T101 PolarHBondContact O-OG1 3.25Å
98K55.8Low48.3Very low160 Ų160103.2 Ų103.270%0.69654%0.538SS*.Hα-helixtrans-66.8-41.3172.3-76.3177.2-179.1179.30113.1D94 A95 V96 R102D94-K98 WeakPolarHBondContact O-CB 3.48Å; D94-K98 VanDerWaalsContact O-CG 3.29Å; D94-K98 WeakPolarHBondContact O-CG 3.31Å; D94-K98 PolarHBondContact O-N 3.2Å; A95-K98 PolarHBondContact O-N 2.98Å; V96-K98 VanDerWaalsContact C-N 3.33Å; V96-K98 PolarHBondContact O-N 2.99Å; K98-R102 VanDerWaalsContact O-CB 3.25Å; K98-R102 WeakPolarHBondContact O-CB 3.24Å; K98-R102 PolarHBondContact O-N 3.3Å
99E51.9Low48.2Very low78 Ų78108.3 Ų108.336%0.36456%0.564SS.*Hα-helixtrans-70.1-36.8177.2-164.386.1-136.800112.2A95 V96 R102 K103A95-E99 WeakPolarHBondContact O-CB 3.41Å; A95-E99 PolarHBondContact O-N 2.92Å; V96-E99 CarbonylContact O-C 3.58Å; V96-E99 PolarHBondContact O-N 3.24Å; E99-R102 IonicContact OE1-CZ 3.93Å; E99-R102 IonicContact OE1-NH2 2.95Å; E99-R102 PolarHBondContact OE1-NH2 2.73Å; E99-K103 HydrophobicContact CG-CD 4.34Å; E99-K103 WeakPolarHBondContact O-CB 3.32Å; E99-K103 WeakPolarHBondContact O-CG 3.24Å; E99-K103 PolarHBondContact O-N 3.5Å; E99-K103 WeakPolarHBondContact OE1-CE 3.35Å; E99-K103 IonicContact OE1-NZ 3.94Å
100V51.7Low48.4Very low37 Ų37116.2 Ų116.222%0.22458%0.582CS.*Hα-helixtrans-65.1-49.4175.1169.60000109.7V96 R102 K103 L104 K125V96-V100 HydrophobicContact CG1-CG2 3.72Å; V96-V100 WeakPolarHBondContact O-CB 3.49Å; V96-V100 WeakPolarHBondContact O-CG2 3.21Å; V96-V100 PolarHBondContact O-N 3.06Å; V100-R102 VanDerWaalsContact C-N 3.3Å; V100-R102 PolarHBondContact O-N 3.08Å; V100-K103 PolarHBondContact O-N 3.48Å; V100-L104 HydrophobicContact CG1-CD1 3.77Å; V100-L104 WeakPolarHBondContact O-CB 3.3Å; V100-L104 PolarHBondContact O-N 2.89Å; V100-K125 VanDerWaalsContact CB-NZ 3.32Å; V100-K125 HydrophobicContact CG2-CD 3.68Å
101T50.7Low48.7Very low94 Ų94119.4 Ų119.458%0.57759%0.594SS**Hα-helixtrans-63.1-37.8178.3-57.60000111S97 S105S97-T101 VanDerWaalsContact O-CB 3.24Å; S97-T101 WeakPolarHBondContact O-CB 3.24Å; S97-T101 PolarHBondContact O-N 3.35Å; S97-T101 PolarHBondContact O-OG1 3.25Å; T101-S105 PolarHBondContact O-N 3.5Å
102R51Low48.6Very low150 Ų150114.8 Ų114.857%0.56658%0.576SS**Hα-helixtrans-70.9-43.4176.5-166174.370.9132-0.6112.9K98 E99 V100 S105K98-R102 VanDerWaalsContact O-CB 3.25Å; K98-R102 WeakPolarHBondContact O-CB 3.24Å; K98-R102 PolarHBondContact O-N 3.3Å; E99-R102 IonicContact OE1-CZ 3.93Å; E99-R102 IonicContact OE1-NH2 2.95Å; E99-R102 PolarHBondContact OE1-NH2 2.73Å; V100-R102 VanDerWaalsContact C-N 3.3Å; V100-R102 PolarHBondContact O-N 3.08Å; R102-S105 PolarHBondContact O-N 3.49Å
103K49.4Very low49.1Very low128 Ų128112.4 Ų112.456%0.55758%0.579SS**Hα-helixtrans-74.6-23.8180-73-176.1178.8178.20114.2E99 V100 S105E99-K103 HydrophobicContact CG-CD 4.34Å; E99-K103 WeakPolarHBondContact O-CB 3.32Å; E99-K103 WeakPolarHBondContact O-CG 3.24Å; E99-K103 PolarHBondContact O-N 3.5Å; E99-K103 WeakPolarHBondContact OE1-CE 3.35Å; E99-K103 IonicContact OE1-NZ 3.94Å; V100-K103 PolarHBondContact O-N 3.48Å; K103-S105 VanDerWaalsContact C-N 3.28Å
104L47.1Very low49.7Very low100 Ų100116 Ų11652%0.52459%0.587SS.*Hα-helixtrans-73.8-19.4170.1-94.5148.7000112.9V100V100-L104 HydrophobicContact CG1-CD1 3.77Å; V100-L104 WeakPolarHBondContact O-CB 3.3Å; V100-L104 PolarHBondContact O-N 2.89Å
105S47.9Very low50.3Low101 Ų101118.6 Ų118.671%0.70659%0.592SS**Hα-helixtrans-84.9-19.7-176.8-164.80000114.4T101 R102 K103T101-S105 PolarHBondContact O-N 3.5Å; R102-S105 PolarHBondContact O-N 3.49Å; K103-S105 VanDerWaalsContact C-N 3.28Å
106E48.8Very low50.9Low170 Ų170120.9 Ų120.979%0.79460%0.596SS**Hα-helixtrans-115.9-21.9-167.1-76.4-175.9159.200116.6
107A48.1Very low51.5Low77 Ų77118.5 Ų118.564%0.63658%0.58SS**SBendtrans-125.31.1-156.200000119.6
108D45.9Very low52.1Low91 Ų91118.9 Ų118.949%0.48758%0.576SS.*  trans-150.638.5-174.6-122.3-13000118R110 K117D108-R110 PolarHBondContact O-N 2.9Å; D108-K117 HydrophobicContact CB-CD 3.78Å; D108-K117 PolarHBondContact O-NZ 2.81Å; D108-K117 WeakPolarHBondContact OD1-CE 3.37Å; D108-K117 IonicContact OD1-NZ 2.66Å; D108-K117 PolarHBondContact OD1-NZ 3.06Å; D108-K117 WeakPolarHBondContact OD2-CD 3.33Å; D108-K117 WeakPolarHBondContact OD2-CE 3.46Å; D108-K117 IonicContact OD2-NZ 3.22Å; D108-K117 PolarHBondContact OD2-NZ 2.74Å
109N44.9Very low52.5Low160 Ų160117.9 Ų117.986%0.85657%0.574SS**  trans-64.9119.7156.9-91-41.5000109.3
110R50.4Low53.2Low223 Ų223120.9 Ų120.984%0.84258%0.582SS**SBendtrans86.992.8160.2-155.3177.1168.5-169.2-3.8115.6D108D108-R110 PolarHBondContact O-N 2.9Å
111K47.8Very low53.8Low193 Ų193121.7 Ų121.784%0.83959%0.585SS**SBendtrans131.620.9151.8-68.1-176.7-179-172.30119
112M47.3Very low54.2Low90 Ų90123.4 Ų123.444%0.44359%0.589SS.*SBendtrans-142.7142.3160.9-139.8-169.1-66.800106.1R114 K117M112-R114 PolarHBondContact O-N 3.47Å; M112-K117 HydrophobicContact CB-CD 3.93Å; M112-K117 HydrophobicContact CB-CG 3.62Å; M112-K117 HydrophobicContact CG-CG 4.37Å; M112-K117 VanDerWaalsContact N-CE 3.34Å; M112-K117 WeakPolarHBondContact O-CE 3.27Å; M112-K117 HydrophobicContact SD-CG 4.11Å
113S57.3Low54.9Low77 Ų77122.2 Ų122.254%0.53859%0.585SS.*  trans-54.8129.8-177.2-179.20000109.3K115 E116 K117S113-K115 PolarHBondContact O-N 3.02Å; S113-E116 WeakPolarHBondContact O-CB 3.36Å; S113-E116 PolarHBondContact O-N 3.01Å; S113-K117 PolarHBondContact O-N 2.8Å
114R57.2Low55.7Low210 Ų210121.9 Ų121.979%0.79258%0.584SS**Hα-helixtrans-45.8-40-175-94.6-179.7171.2177.1-3.3112.6M112 D118M112-R114 PolarHBondContact O-N 3.47Å; R114-D118 PolarHBondContact O-N 2.83Å; R114-D118 VanDerWaalsContact O-N 3.07Å
115K57.8Low56.4Low173 Ų173120 Ų12075%0.75257%0.571SS**Hα-helixtrans-64.4-40.9178.4-68.2-171.5173.5-171.10113.7S113 D118 E119S113-K115 PolarHBondContact O-N 3.02Å; K115-D118 PolarHBondContact O-N 3.33Å; K115-E119 WeakPolarHBondContact O-CB 3.5Å; K115-E119 PolarHBondContact O-N 2.88Å
116E62.3Low57.3Low92 Ų92119 Ų11943%0.4356%0.558SS.*Hα-helixtrans-73.7-32.7-177.6-134.8-178.9146.400111.8S113 R120S113-E116 WeakPolarHBondContact O-CB 3.36Å; S113-E116 PolarHBondContact O-N 3.01Å; E116-R120 VanDerWaalsContact O-CB 3.27Å; E116-R120 WeakPolarHBondContact O-CB 3.34Å; E116-R120 VanDerWaalsContact O-CG 3.3Å; E116-R120 WeakPolarHBondContact O-CG 3.43Å; E116-R120 PolarHBondContact O-N 2.69Å
117K60.2Low58.3Low16 Ų16116 Ų1167%0.0754%0.544CS..Hα-helixtrans-68.5-46.6171.8-64.4-176.2171.9-171.60111.5D108 M112 S113 E119 R120 I121D108-K117 HydrophobicContact CB-CD 3.78Å; D108-K117 PolarHBondContact O-NZ 2.81Å; D108-K117 WeakPolarHBondContact OD1-CE 3.37Å; D108-K117 IonicContact OD1-NZ 2.66Å; D108-K117 PolarHBondContact OD1-NZ 3.06Å; D108-K117 WeakPolarHBondContact OD2-CD 3.33Å; D108-K117 WeakPolarHBondContact OD2-CE 3.46Å; D108-K117 IonicContact OD2-NZ 3.22Å; D108-K117 PolarHBondContact OD2-NZ 2.74Å; M112-K117 HydrophobicContact CB-CD 3.93Å; M112-K117 HydrophobicContact CB-CG 3.62Å; M112-K117 HydrophobicContact CG-CG 4.37Å; M112-K117 VanDerWaalsContact N-CE 3.34Å; M112-K117 WeakPolarHBondContact O-CE 3.27Å; M112-K117 HydrophobicContact SD-CG 4.11Å; S113-K117 PolarHBondContact O-N 2.8Å; K117-E119 VanDerWaalsContact C-N 3.32Å; K117-E119 PolarHBondContact O-N 2.96Å; K117-R120 CarbonylContact O-C 3.58Å; K117-R120 WeakPolarHBondContact O-CA 3.39Å; K117-R120 PolarHBondContact O-N 3.45Å; K117-R120 VanDerWaalsContact O-N 3.13Å; K117-I121 WeakPolarHBondContact O-CB 3.34Å; K117-I121 WeakPolarHBondContact O-CD1 3.4Å; K117-I121 WeakPolarHBondContact O-CG1 3.26Å; K117-I121 PolarHBondContact O-N 3.46Å
118D60.5Low59.1Low76 Ų76115.8 Ų115.841%0.40654%0.535SS..Hα-helixtrans-62.8-42.2179.6-75-24.3000110.9R114 K115 R120 I121 L122R114-D118 PolarHBondContact O-N 2.83Å; R114-D118 VanDerWaalsContact O-N 3.07Å; K115-D118 PolarHBondContact O-N 3.33Å; D118-R120 VanDerWaalsContact C-N 3.35Å; D118-R120 PolarHBondContact O-N 3.05Å; D118-I121 PolarHBondContact O-N 3.34Å; D118-I121 VanDerWaalsContact O-N 3.16Å; D118-L122 WeakPolarHBondContact O-CB 3.33Å; D118-L122 PolarHBondContact O-N 2.83Å
119E65.4Low59.9Low140 Ų140114 Ų11465%0.65453%0.533SS*.Hα-helixtrans-63.1-41.3173.2-164.8171.8-166.800111.3K115 K117 I121 L122 W123K115-E119 WeakPolarHBondContact O-CB 3.5Å; K115-E119 PolarHBondContact O-N 2.88Å; K117-E119 VanDerWaalsContact C-N 3.32Å; K117-E119 PolarHBondContact O-N 2.96Å; E119-I121 VanDerWaalsContact C-N 3.27Å; E119-I121 PolarHBondContact O-N 3.45Å; E119-L122 PolarHBondContact O-N 3.11Å; E119-W123 VanDerWaalsContact O-CD1 3.28Å; E119-W123 PolarHBondContact O-N 3.3Å
120R64.9Low60.9Low140 Ų140109.4 Ų109.453%0.52851%0.508SS..Hα-helixtrans-68.8-20.1174.4-79.2-170.4-167.6-105.13.4114.5E116 K117 D118 W123 K124E116-R120 VanDerWaalsContact O-CB 3.27Å; E116-R120 WeakPolarHBondContact O-CB 3.34Å; E116-R120 VanDerWaalsContact O-CG 3.3Å; E116-R120 WeakPolarHBondContact O-CG 3.43Å; E116-R120 PolarHBondContact O-N 2.69Å; K117-R120 CarbonylContact O-C 3.58Å; K117-R120 WeakPolarHBondContact O-CA 3.39Å; K117-R120 PolarHBondContact O-N 3.45Å; K117-R120 VanDerWaalsContact O-N 3.13Å; D118-R120 VanDerWaalsContact C-N 3.35Å; D118-R120 PolarHBondContact O-N 3.05Å; R120-W123 VanDerWaalsContact C-NE1 3.26Å; R120-W123 PolarHBondContact O-NE1 3.36Å; R120-K124 WeakPolarHBondContact O-CB 3.46Å
121I64.1Low61.8Low55 Ų55106.9 Ų106.928%0.28250%0.5SS..Hα-helixtrans-88-35.4174.7-70.9164.1000109.2K117 D118 E119 K125K117-I121 WeakPolarHBondContact O-CB 3.34Å; K117-I121 WeakPolarHBondContact O-CD1 3.4Å; K117-I121 WeakPolarHBondContact O-CG1 3.26Å; K117-I121 PolarHBondContact O-N 3.46Å; D118-I121 PolarHBondContact O-N 3.34Å; D118-I121 VanDerWaalsContact O-N 3.16Å; E119-I121 VanDerWaalsContact C-N 3.27Å; E119-I121 PolarHBondContact O-N 3.45Å; I121-K125 HydrophobicContact CG2-CD 3.96Å; I121-K125 VanDerWaalsContact CG2-CE 3.41Å; I121-K125 HydrophobicContact CG2-CG 4.5Å; I121-K125 WeakPolarHBondContact O-CB 3.48Å; I121-K125 VanDerWaalsContact O-CG 3.26Å; I121-K125 WeakPolarHBondContact O-CG 3.21Å; I121-K125 PolarHBondContact O-N 2.45Å
122L60.9Low62.7Low129 Ų129102.4 Ų102.468%0.67548%0.482SS*.Hα-helixtrans-66.3-49.3178.4-139.699.6000111.8D118 E119 K124 K125 N126D118-L122 WeakPolarHBondContact O-CB 3.33Å; D118-L122 PolarHBondContact O-N 2.83Å; E119-L122 PolarHBondContact O-N 3.11Å; L122-K124 VanDerWaalsContact C-N 3.32Å; L122-K124 PolarHBondContact O-N 3.42Å; L122-K125 PolarHBondContact O-N 3.42Å; L122-N126 WeakPolarHBondContact O-CB 3.35Å; L122-N126 PolarHBondContact O-N 2.93Å
123W64.4Low63.6Low125 Ų12599 Ų9947%0.47347%0.467SS..Hα-helixtrans-62.5-40.2178.480.5-64.3000111.6E119 R120 N126 E127E119-W123 VanDerWaalsContact O-CD1 3.28Å; E119-W123 PolarHBondContact O-N 3.3Å; R120-W123 VanDerWaalsContact C-NE1 3.26Å; R120-W123 PolarHBondContact O-NE1 3.36Å; W123-N126 PolarHBondContact O-N 3.48Å; W123-E127 WeakPolarHBondContact CZ3-OE2 3.46Å; W123-E127 WeakPolarHBondContact O-CB 3.5Å; W123-E127 PolarHBondContact O-N 3.42Å
124K65.8Low64.1Low122 Ų12296 Ų9653%0.5345%0.446SS..Hα-helixtrans-70.8-34.3-178.6-162.2129.6-176.1175.60111.6R120 L122 V128R120-K124 WeakPolarHBondContact O-CB 3.46Å; L122-K124 VanDerWaalsContact C-N 3.32Å; L122-K124 PolarHBondContact O-N 3.42Å; K124-V128 WeakPolarHBondContact O-CB 3.48Å; K124-V128 WeakPolarHBondContact O-CG2 3.45Å; K124-V128 PolarHBondContact O-N 2.81Å
125K63.6Low64.9Low60 Ų6089 Ų8926%0.26143%0.427SS..Hα-helixtrans-66.9-42.2170.7-78.4174.3-174.2160.10111.6V100 I121 L122 A129V100-K125 VanDerWaalsContact CB-NZ 3.32Å; V100-K125 HydrophobicContact CG2-CD 3.68Å; I121-K125 HydrophobicContact CG2-CD 3.96Å; I121-K125 VanDerWaalsContact CG2-CE 3.41Å; I121-K125 HydrophobicContact CG2-CG 4.5Å; I121-K125 WeakPolarHBondContact O-CB 3.48Å; I121-K125 VanDerWaalsContact O-CG 3.26Å; I121-K125 WeakPolarHBondContact O-CG 3.21Å; I121-K125 PolarHBondContact O-N 2.45Å; L122-K125 PolarHBondContact O-N 3.42Å; K125-A129 VanDerWaalsContact O-CB 3.24Å; K125-A129 WeakPolarHBondContact O-CB 3.07Å; K125-A129 PolarHBondContact O-N 3.34Å
126N66.6Low65.6Low80 Ų8086.3 Ų86.343%0.42842%0.415SS..Hα-helixtrans-65-43.8177.6-158.622.3000110.9L122 W123 A129 D130L122-N126 WeakPolarHBondContact O-CB 3.35Å; L122-N126 PolarHBondContact O-N 2.93Å; W123-N126 PolarHBondContact O-N 3.48Å; N126-A129 PolarHBondContact O-N 3.47Å; N126-D130 WeakPolarHBondContact O-CB 3.43Å; N126-D130 PolarHBondContact O-N 2.9Å
127E69Low65.9Low106 Ų10681.9 Ų81.950%0.49540%0.395SS..Hα-helixtrans-62.6-45.1177.2-173.1178.7-164.900112.4W123 D130 Y131W123-E127 WeakPolarHBondContact CZ3-OE2 3.46Å; W123-E127 WeakPolarHBondContact O-CB 3.5Å; W123-E127 PolarHBondContact O-N 3.42Å; E127-D130 PolarHBondContact O-N 3.46Å; E127-Y131 WeakPolarHBondContact O-CB 3.29Å; E127-Y131 PolarHBondContact O-N 2.78Å
128V65.6Low66.7Low73 Ų7382.1 Ų82.144%0.44240%0.397SS..Hα-helixtrans-65.9-42.1177171.80000111K124 Y131 E132K124-V128 WeakPolarHBondContact O-CB 3.48Å; K124-V128 WeakPolarHBondContact O-CG2 3.45Å; K124-V128 PolarHBondContact O-N 2.81Å; V128-Y131 PolarHBondContact O-N 3.49Å; V128-E132 HydrophobicContact CG1-CG 4.41Å; V128-E132 WeakPolarHBondContact O-CB 3.3Å; V128-E132 WeakPolarHBondContact O-CG 3.28Å; V128-E132 PolarHBondContact O-N 2.85Å
129A62.7Low67.5Low54 Ų5485 Ų8545%0.44641%0.406SS..Hα-helixtrans-63-42.3176.400000111.8K125 N126 A133K125-A129 VanDerWaalsContact O-CB 3.24Å; K125-A129 WeakPolarHBondContact O-CB 3.07Å; K125-A129 PolarHBondContact O-N 3.34Å; N126-A129 PolarHBondContact O-N 3.47Å; A129-A133 WeakPolarHBondContact O-CB 3.12Å; A129-A133 PolarHBondContact O-N 3.42Å
130D65.8Low68Low63 Ų6383.9 Ų83.934%0.33740%0.396SS..Hα-helixtrans-65.4-39.7176-105.8-27000111.9K81 N126 E127 T134K81-D130 IonicContact NZ-OD1 3.54Å; N126-D130 WeakPolarHBondContact O-CB 3.43Å; N126-D130 PolarHBondContact O-N 2.9Å; E127-D130 PolarHBondContact O-N 3.46Å; D130-T134 WeakPolarHBondContact O-CB 3.36Å; D130-T134 PolarHBondContact O-N 2.93Å; D130-T134 PolarHBondContact O-OG1 3.45Å
131Y68.6Low68.6Low170 Ų17077.4 Ų77.467%0.66737%0.372SS*.Hα-helixtrans-67.2-47.3177.9-175.8-98.6000112.2E127 V128 T134 T135E127-Y131 WeakPolarHBondContact O-CB 3.29Å; E127-Y131 PolarHBondContact O-N 2.78Å; V128-Y131 PolarHBondContact O-N 3.49Å; Y131-T134 PolarHBondContact O-N 3.07Å; Y131-T135 WeakPolarHBondContact O-CB 3.2Å; Y131-T135 PolarHBondContact O-N 3.27Å; Y131-T135 PolarHBondContact O-OG1 2.67Å
132E67.4Low69.6Low100 Ų10076.1 Ų76.147%0.46737%0.366SS..Hα-helixtrans-63-45.4176.9-74.6-171.9-176.300111.3R92 V128 T134 T135 F136R92-E132 IonicContact NH2-OE2 3.75Å; V128-E132 HydrophobicContact CG1-CG 4.41Å; V128-E132 WeakPolarHBondContact O-CB 3.3Å; V128-E132 WeakPolarHBondContact O-CG 3.28Å; V128-E132 PolarHBondContact O-N 2.85Å; E132-T134 VanDerWaalsContact C-N 3.35Å; E132-T134 PolarHBondContact O-N 3.46Å; E132-T135 PolarHBondContact O-N 3.31Å; E132-F136 WeakPolarHBondContact O-CB 3.38Å; E132-F136 PolarHBondContact O-N 3.26Å
133A65.4Low70.5Confident17 Ų1772.9 Ų72.914%0.1435%0.352CS..Hα-helixtrans-64.5-39.7178.700000112.1A129 S137A129-A133 WeakPolarHBondContact O-CB 3.12Å; A129-A133 PolarHBondContact O-N 3.42Å; A133-S137 VanDerWaalsContact O-CB 3.27Å; A133-S137 WeakPolarHBondContact O-CB 3.19Å; A133-S137 PolarHBondContact O-N 3.27Å; A133-S137 PolarHBondContact O-OG 2.9Å
134T69.1Low71.3Confident14 Ų1468.7 Ų68.79%0.08634%0.338CS..Hα-helixtrans-65-47.4176.6-62.50000110.5F32 K81 D130 Y131 E132 S137 I138F32-T134 HydrophobicContact CD1-CG2 4.42Å; F32-T134 HydrophobicContact CE1-CG2 3.47Å; F32-T134 VanDerWaalsContact CE1-CG2 3.47Å; F32-T134 HydrophobicContact CZ-CG2 3.78Å; K81-T134 PolarHBondContact NZ-OG1 3Å; K81-T134 VanDerWaalsContact NZ-OG1 3.1Å; D130-T134 WeakPolarHBondContact O-CB 3.36Å; D130-T134 PolarHBondContact O-N 2.93Å; D130-T134 PolarHBondContact O-OG1 3.45Å; Y131-T134 PolarHBondContact O-N 3.07Å; E132-T134 VanDerWaalsContact C-N 3.35Å; E132-T134 PolarHBondContact O-N 3.46Å; T134-S137 PolarHBondContact O-N 2.86Å; T134-I138 HydrophobicContact CG2-CD1 4.02Å; T134-I138 VanDerWaalsContact O-CG1 3.29Å; T134-I138 WeakPolarHBondContact O-CG1 3.43Å; T134-I138 PolarHBondContact O-N 3.3Å
135T74.3Confident72.2Confident65 Ų6562.9 Ų62.940%0.39931%0.313SS..Hα-helixtrans-63.5-46.6-179.9-57.90000111.6Y131 E132 S137 I138 F139Y131-T135 WeakPolarHBondContact O-CB 3.2Å; Y131-T135 PolarHBondContact O-N 3.27Å; Y131-T135 PolarHBondContact O-OG1 2.67Å; E132-T135 PolarHBondContact O-N 3.31Å; T135-S137 PolarHBondContact O-N 3.32Å; T135-I138 PolarHBondContact O-N 2.9Å; T135-F139 WeakPolarHBondContact O-CB 3.29Å; T135-F139 PolarHBondContact O-N 2.9Å
136F72.1Confident73.3Confident115 Ų11562.2 Ų62.250%0.50431%0.312SS..Hα-helixtrans-63.8-41.3178.7-172.5-84.1000111.9L84 E132 I138 F139 Y140L84-F136 HydrophobicContact CD2-CD1 3.23Å; L84-F136 HydrophobicContact CD2-CE1 3.57Å; L84-F136 HydrophobicContact CD2-CG 4.27Å; E132-F136 WeakPolarHBondContact O-CB 3.38Å; E132-F136 PolarHBondContact O-N 3.26Å; F136-I138 VanDerWaalsContact C-N 3.32Å; F136-I138 PolarHBondContact O-N 3.01Å; F136-F139 PolarHBondContact O-N 3.06Å; F136-Y140 WeakPolarHBondContact O-CB 3.27Å; F136-Y140 PolarHBondContact O-N 2.88Å
137S66.9Low74.2Confident0 Ų061.9 Ų61.90%031%0.313CS..Hα-helixtrans-63.6-38178.5-60.10000112.2A133 T134 T135 N141A133-S137 VanDerWaalsContact O-CB 3.27Å; A133-S137 WeakPolarHBondContact O-CB 3.19Å; A133-S137 PolarHBondContact O-N 3.27Å; A133-S137 PolarHBondContact O-OG 2.9Å; T134-S137 PolarHBondContact O-N 2.86Å; T135-S137 PolarHBondContact O-N 3.32Å; S137-N141 WeakPolarHBondContact O-CB 3.46Å; S137-N141 PolarHBondContact O-N 2.89Å; S137-N141 PolarHBondContact O-ND2 3.44Å
138I78.3Confident74.9Confident21 Ų2159 Ų5911%0.10830%0.3CS..Hα-helixtrans-66.5-51.8174.8-68.2165000109.8F32 N35 T134 T135 F136 Y140 N142F32-I138 HydrophobicContact CD1-CD1 3.92Å; F32-I138 HydrophobicContact CD1-CG1 3.77Å; F32-I138 HydrophobicContact CE1-CD1 3.93Å; F32-I138 HydrophobicContact CE1-CG1 3.77Å; N35-I138 HydrophobicContact CB-CG2 4.05Å; T134-I138 HydrophobicContact CG2-CD1 4.02Å; T134-I138 VanDerWaalsContact O-CG1 3.29Å; T134-I138 WeakPolarHBondContact O-CG1 3.43Å; T134-I138 PolarHBondContact O-N 3.3Å; T135-I138 PolarHBondContact O-N 2.9Å; F136-I138 VanDerWaalsContact C-N 3.32Å; F136-I138 PolarHBondContact O-N 3.01Å; I138-Y140 PolarHBondContact O-N 3.25Å; I138-N142 WeakPolarHBondContact CG2-ND2 3.5Å; I138-N142 WeakPolarHBondContact O-CB 3.36Å; I138-N142 PolarHBondContact O-N 2.97Å; I138-N142 PolarHBondContact O-ND2 3.03Å; I138-N142 PolarHBondContact O-OD1 3.42Å
139F77.9Confident75.9Confident137 Ų13755.6 Ų55.660%0.60128%0.28SS*.Hα-helixtrans-61.4-46.9-176.4179.5-100.5000112.9T135 F136 N142 T143T135-F139 WeakPolarHBondContact O-CB 3.29Å; T135-F139 PolarHBondContact O-N 2.9Å; F136-F139 PolarHBondContact O-N 3.06Å; F139-N142 PolarHBondContact O-N 2.88Å; F139-T143 WeakPolarHBondContact O-CB 3.45Å; F139-T143 PolarHBondContact O-N 3.31Å; F139-T143 PolarHBondContact O-OG1 3.42Å
140Y74Confident77.2Confident115 Ų11556.5 Ų56.545%0.45128%0.276SS..Hα-helixtrans-62-50.6-178.5179.3-98.2000111.6F136 I138 N142 T143 L144F136-Y140 WeakPolarHBondContact O-CB 3.27Å; F136-Y140 PolarHBondContact O-N 2.88Å; I138-Y140 PolarHBondContact O-N 3.25Å; Y140-N142 PolarHBondContact O-N 2.82Å; Y140-T143 PolarHBondContact O-N 3.49Å; Y140-L144 HydrophobicContact CE1-CD1 3.88Å; Y140-L144 HydrophobicContact CE2-CD1 4.42Å; Y140-L144 WeakPolarHBondContact O-CB 3.39Å; Y140-L144 PolarHBondContact O-N 2.89Å
141N78.3Confident78.1Confident4 Ų457.2 Ų57.22%0.02128%0.279CS..Hα-helixtrans-67.2-36.2179.6-77-58000112.3Y77 V80 S137 F145Y77-N141 HydrophobicContact CD1-CB 3.4Å; Y77-N141 VanDerWaalsContact CD1-CB 3.4Å; Y77-N141 HydrophobicContact CE1-CB 3.37Å; V80-N141 VanDerWaalsContact CB-ND2 3.34Å; V80-N141 WeakPolarHBondContact CB-ND2 3.26Å; V80-N141 WeakPolarHBondContact CG2-ND2 3.37Å; V80-N141 WeakPolarHBondContact CG2-OD1 3.37Å; S137-N141 WeakPolarHBondContact O-CB 3.46Å; S137-N141 PolarHBondContact O-N 2.89Å; S137-N141 PolarHBondContact O-ND2 3.44Å; N141-F145 VanDerWaalsContact O-CB 3.26Å; N141-F145 WeakPolarHBondContact O-CB 3.43Å; N141-F145 PolarHBondContact O-N 2.95Å
142N84.6Confident78.9Confident28 Ų2849.5 Ų49.515%0.1525%0.251CS..Hα-helixtrans-62.3-48.5174.5-76.6-5.6000112.2V39 Y77 I138 F139 Y140 L144 F145 L146V39-N142 WeakPolarHBondContact CG1-OD1 3.38Å; V39-N142 HydrophobicContact CG2-CB 4.03Å; Y77-N142 VanDerWaalsContact CZ-OD1 3.32Å; Y77-N142 PolarHBondContact OH-OD1 2.95Å; I138-N142 WeakPolarHBondContact CG2-ND2 3.5Å; I138-N142 WeakPolarHBondContact O-CB 3.36Å; I138-N142 PolarHBondContact O-N 2.97Å; I138-N142 PolarHBondContact O-ND2 3.03Å; I138-N142 PolarHBondContact O-OD1 3.42Å; F139-N142 PolarHBondContact O-N 2.88Å; Y140-N142 PolarHBondContact O-N 2.82Å; N142-L144 VanDerWaalsContact C-N 3.33Å; N142-L144 PolarHBondContact O-N 3.2Å; N142-F145 PolarHBondContact O-N 3.27Å; N142-L146 WeakPolarHBondContact O-CG 3.23Å; N142-L146 PolarHBondContact O-N 2.91Å
143T81.1Confident79.8Confident61 Ų6144.8 Ų44.837%0.37423%0.229SC..Hα-helixtrans-61.3-46.7179.7-56.50000110F139 Y140 F145 L146 V147F139-T143 WeakPolarHBondContact O-CB 3.45Å; F139-T143 PolarHBondContact O-N 3.31Å; F139-T143 PolarHBondContact O-OG1 3.42Å; Y140-T143 PolarHBondContact O-N 3.49Å; T143-F145 VanDerWaalsContact C-N 3.33Å; T143-F145 PolarHBondContact O-N 2.96Å; T143-L146 PolarHBondContact O-N 3.36Å; T143-V147 HydrophobicContact CG2-CG2 4.38Å; T143-V147 WeakPolarHBondContact O-CB 3.36Å; T143-V147 VanDerWaalsContact O-CG2 3.23Å; T143-V147 WeakPolarHBondContact O-CG2 3.35Å; T143-V147 PolarHBondContact O-N 3.43Å
144L80.7Confident80.7Confident38 Ų3847.1 Ų47.120%0.19924%0.236CC..Hα-helixtrans-64.3-38.9179.8-152.1146.6000111.5Y140 N142 L148 I177 L180Y140-L144 HydrophobicContact CE1-CD1 3.88Å; Y140-L144 HydrophobicContact CE2-CD1 4.42Å; Y140-L144 WeakPolarHBondContact O-CB 3.39Å; Y140-L144 PolarHBondContact O-N 2.89Å; N142-L144 VanDerWaalsContact C-N 3.33Å; N142-L144 PolarHBondContact O-N 3.2Å; L144-L148 HydrophobicContact CD2-CD1 3.49Å; L144-L148 VanDerWaalsContact CD2-CD1 3.49Å; L144-L148 HydrophobicContact CD2-CG 4Å; L144-L148 WeakPolarHBondContact O-CB 3.31Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 2.94Å; L144-I177 HydrophobicContact CB-CD1 4.38Å; L144-I177 HydrophobicContact CD2-CD1 3.88Å; L144-I177 HydrophobicContact CD2-CG1 3.47Å; L144-I177 VanDerWaalsContact CD2-CG1 3.47Å; L144-L180 HydrophobicContact CD2-CD1 4.1Å
145F84.8Confident81.5Confident0 Ų053.7 Ų53.70%026%0.264CS..Hα-helixtrans-61.7-52.8175178.6-106.7000112.4V39 P43 S69 V73 N141 N142 T143 V147 L148 V149 I170 I177V39-F145 HydrophobicContact CG2-CD1 4.05Å; P43-F145 HydrophobicContact CG-CE1 3.86Å; P43-F145 HydrophobicContact CG-CZ 4.18Å; S69-F145 WeakPolarHBondContact OG-CZ 3.23Å; V73-F145 HydrophobicContact CG2-CD2 3.97Å; V73-F145 HydrophobicContact CG2-CE2 4.2Å; V73-F145 HydrophobicContact CG2-CG 4.28Å; N141-F145 VanDerWaalsContact O-CB 3.26Å; N141-F145 WeakPolarHBondContact O-CB 3.43Å; N141-F145 PolarHBondContact O-N 2.95Å; N142-F145 PolarHBondContact O-N 3.27Å; T143-F145 VanDerWaalsContact C-N 3.33Å; T143-F145 PolarHBondContact O-N 2.96Å; F145-V147 VanDerWaalsContact C-N 3.35Å; F145-V147 PolarHBondContact O-N 3.4Å; F145-L148 PolarHBondContact O-N 3.4Å; F145-V149 HydrophobicContact CD1-CG2 4.42Å; F145-V149 HydrophobicContact CD2-CG2 4.1Å; F145-V149 HydrophobicContact CE1-CG2 4.08Å; F145-V149 HydrophobicContact CE2-CG2 3.72Å; F145-V149 HydrophobicContact CG-CG2 4.45Å; F145-V149 HydrophobicContact CZ-CG2 3.72Å; F145-V149 WeakPolarHBondContact O-CB 3.4Å; F145-V149 VanDerWaalsContact O-CG2 3.28Å; F145-V149 WeakPolarHBondContact O-CG2 3.46Å; F145-V149 PolarHBondContact O-N 3.5Å; F145-I170 HydrophobicContact CZ-CD1 4.18Å; F145-I177 HydrophobicContact CB-CD1 3.38Å; F145-I177 HydrophobicContact CD2-CD1 3.97Å; F145-I177 HydrophobicContact CG-CD1 4.17Å
146L86.4Confident81.9Confident46 Ų4656.7 Ų56.724%0.24128%0.277CS..Hα-helixtrans-64.5-41.6-178.1-66.9174.3000111.5V39 I42 N142 T143 V149 I150V39-L146 HydrophobicContact CG2-CD1 4.22Å; V39-L146 HydrophobicContact CG2-CD2 4.18Å; V39-L146 HydrophobicContact CG2-CG 4.07Å; I42-L146 HydrophobicContact CB-CD2 4.16Å; I42-L146 HydrophobicContact CD1-CD1 4.25Å; I42-L146 HydrophobicContact CD1-CD2 4.31Å; I42-L146 HydrophobicContact CG2-CD2 3.95Å; N142-L146 WeakPolarHBondContact O-CG 3.23Å; N142-L146 PolarHBondContact O-N 2.91Å; T143-L146 PolarHBondContact O-N 3.36Å; L146-V149 PolarHBondContact O-N 3.12Å; L146-I150 WeakPolarHBondContact O-CB 3.49Å; L146-I150 WeakPolarHBondContact O-CD1 3.34Å; L146-I150 WeakPolarHBondContact O-CG1 3.14Å; L146-I150 PolarHBondContact O-N 3.5Å
147V85.7Confident82.6Confident73 Ų7352.2 Ų52.244%0.44226%0.258SS..Hα-helixtrans-62-47.1176.9170.10000111T143 F145 V149 I150 I151T143-V147 HydrophobicContact CG2-CG2 4.38Å; T143-V147 WeakPolarHBondContact O-CB 3.36Å; T143-V147 VanDerWaalsContact O-CG2 3.23Å; T143-V147 WeakPolarHBondContact O-CG2 3.35Å; T143-V147 PolarHBondContact O-N 3.43Å; F145-V147 VanDerWaalsContact C-N 3.35Å; F145-V147 PolarHBondContact O-N 3.4Å; V147-V149 PolarHBondContact O-N 3.39Å; V147-I150 PolarHBondContact O-N 3.45Å; V147-I151 HydrophobicContact CG1-CD1 3.7Å; V147-I151 HydrophobicContact CG1-CG1 4.44Å; V147-I151 VanDerWaalsContact O-CG1 3.31Å; V147-I151 WeakPolarHBondContact O-CG1 3.17Å; V147-I151 PolarHBondContact O-N 3.3Å
148L83.9Confident83.3Confident44 Ų4458 Ų5823%0.2328%0.283CS..Hα-helixtrans-63.4-42.1177.5-73.8-178.6000112L144 F145 I150 I151 A152 S173 L176 I177L144-L148 HydrophobicContact CD2-CD1 3.49Å; L144-L148 VanDerWaalsContact CD2-CD1 3.49Å; L144-L148 HydrophobicContact CD2-CG 4Å; L144-L148 WeakPolarHBondContact O-CB 3.31Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 2.94Å; F145-L148 PolarHBondContact O-N 3.4Å; L148-I150 VanDerWaalsContact C-N 3.34Å; L148-I150 PolarHBondContact O-N 2.96Å; L148-I151 PolarHBondContact O-N 3.15Å; L148-A152 WeakPolarHBondContact O-CB 3.17Å; L148-A152 PolarHBondContact O-N 2.96Å; L148-S173 VanDerWaalsContact C-OG 3.26Å; L148-S173 PolarHBondContact O-OG 3.11Å; L148-L176 HydrophobicContact CD1-CB 4.08Å; L148-L176 HydrophobicContact CD1-CD1 4.39Å; L148-I177 HydrophobicContact CD1-CD1 4.18Å; L148-I177 HydrophobicContact CD1-CG1 3.93Å
149V86.9Confident83.5Confident2 Ų263.7 Ų63.71%0.01231%0.314CS..Hα-helixtrans-62.4-42.6177.9168.80000110.8P43 F145 L146 V147 S153 I170 S173P43-V149 HydrophobicContact CB-CG1 4.17Å; P43-V149 HydrophobicContact CG-CG1 4.15Å; F145-V149 HydrophobicContact CD1-CG2 4.42Å; F145-V149 HydrophobicContact CD2-CG2 4.1Å; F145-V149 HydrophobicContact CE1-CG2 4.08Å; F145-V149 HydrophobicContact CE2-CG2 3.72Å; F145-V149 HydrophobicContact CG-CG2 4.45Å; F145-V149 HydrophobicContact CZ-CG2 3.72Å; F145-V149 WeakPolarHBondContact O-CB 3.4Å; F145-V149 VanDerWaalsContact O-CG2 3.28Å; F145-V149 WeakPolarHBondContact O-CG2 3.46Å; F145-V149 PolarHBondContact O-N 3.5Å; L146-V149 PolarHBondContact O-N 3.12Å; V147-V149 PolarHBondContact O-N 3.39Å; V149-S153 WeakPolarHBondContact O-CB 3.49Å; V149-S153 PolarHBondContact O-N 2.79Å; V149-I170 HydrophobicContact CG1-CD1 4.38Å; V149-I170 HydrophobicContact CG2-CD1 4.22Å; V149-S173 WeakPolarHBondContact CA-OG 3.44Å; V149-S173 VanDerWaalsContact CG2-CB 3.48Å; V149-S173 WeakPolarHBondContact CG2-OG 3.44Å; V149-S173 PolarHBondContact N-OG 2.85Å; V149-S173 VanDerWaalsContact N-OG 3.16Å
150I88.1Confident83.9Confident73 Ų7362.5 Ų62.537%0.37431%0.309SS..Hα-helixtrans-65.6-47.7178-68.4165000110.4L46 L146 V147 L148 A152 S153 F154L46-I150 HydrophobicContact CD1-CG1 4.49Å; L146-I150 WeakPolarHBondContact O-CB 3.49Å; L146-I150 WeakPolarHBondContact O-CD1 3.34Å; L146-I150 WeakPolarHBondContact O-CG1 3.14Å; L146-I150 PolarHBondContact O-N 3.5Å; V147-I150 PolarHBondContact O-N 3.45Å; L148-I150 VanDerWaalsContact C-N 3.34Å; L148-I150 PolarHBondContact O-N 2.96Å; I150-A152 PolarHBondContact O-N 2.82Å; I150-S153 PolarHBondContact O-N 2.84Å; I150-F154 HydrophobicContact CG2-CD2 4.04Å; I150-F154 WeakPolarHBondContact O-CB 3.32Å; I150-F154 VanDerWaalsContact O-CD2 3.31Å; I150-F154 WeakPolarHBondContact O-CD2 3.21Å; I150-F154 PolarHBondContact O-N 3.4Å
151I86.6Confident84.5Confident78 Ų7861.6 Ų61.640%0.431%0.311SS..Hα-helixtrans-62.4-47.2179.4-67.9170.9000110.7V147 L148 F155 L156V147-I151 HydrophobicContact CG1-CD1 3.7Å; V147-I151 HydrophobicContact CG1-CG1 4.44Å; V147-I151 VanDerWaalsContact O-CG1 3.31Å; V147-I151 WeakPolarHBondContact O-CG1 3.17Å; V147-I151 PolarHBondContact O-N 3.3Å; L148-I151 PolarHBondContact O-N 3.15Å; I151-F155 WeakPolarHBondContact O-CB 3.46Å; I151-F155 PolarHBondContact O-N 2.99Å; I151-L156 PolarHBondContact O-N 2.81Å
152A84.4Confident84.8Confident9 Ų963.1 Ų63.17%0.07432%0.322CS..Iπ-helixtrans-60.2-50.2178.300000111.1L148 I150 L156 L157L148-A152 WeakPolarHBondContact O-CB 3.17Å; L148-A152 PolarHBondContact O-N 2.96Å; I150-A152 PolarHBondContact O-N 2.82Å; A152-L156 WeakPolarHBondContact O-CB 3.37Å; A152-L156 PolarHBondContact O-N 3.1Å; A152-L157 HydrophobicContact CB-CD1 4.17Å; A152-L157 WeakPolarHBondContact O-CB 3.44Å; A152-L157 WeakPolarHBondContact O-CD1 3.16Å; A152-L157 PolarHBondContact O-N 3.47Å
153S85.3Confident84.8Confident1 Ų164 Ų641%0.00733%0.329CS..Iπ-helixtrans-71.5-43.3-173.1-176.10000113.5F47 W51 V149 I150 N165 S169F47-S153 WeakPolarHBondContact CZ-OG 3.37Å; W51-S153 WeakPolarHBondContact CZ2-O 3.22Å; W51-S153 PolarHBondContact NE1-OG 2.81Å; V149-S153 WeakPolarHBondContact O-CB 3.49Å; V149-S153 PolarHBondContact O-N 2.79Å; I150-S153 PolarHBondContact O-N 2.84Å; S153-N165 VanDerWaalsContact CA-OD1 3.28Å; S153-N165 WeakPolarHBondContact CA-OD1 3.28Å; S153-N165 WeakPolarHBondContact CB-OD1 3.46Å; S153-N165 PolarHBondContact O-ND2 3.11Å; S153-N165 PolarHBondContact OG-OD1 3.36Å; S153-S169 WeakPolarHBondContact CA-OG 3.03Å; S153-S169 PolarHBondContact N-OG 3.43Å
154F85.9Confident85.1Confident65 Ų6564.1 Ų64.129%0.28533%0.329SS..Iπ-helixtrans-93.1-26.1-171.9-71.5-98.7000114.3I50 I150 K158I50-F154 HydrophobicContact CB-CZ 4.46Å; I50-F154 HydrophobicContact CD1-CE1 3.98Å; I50-F154 HydrophobicContact CD1-CZ 3.49Å; I50-F154 VanDerWaalsContact CD1-CZ 3.49Å; I50-F154 HydrophobicContact CG2-CE1 3.73Å; I50-F154 HydrophobicContact CG2-CZ 4Å; I150-F154 HydrophobicContact CG2-CD2 4.04Å; I150-F154 WeakPolarHBondContact O-CB 3.32Å; I150-F154 VanDerWaalsContact O-CD2 3.31Å; I150-F154 WeakPolarHBondContact O-CD2 3.21Å; I150-F154 PolarHBondContact O-N 3.4Å; F154-K158 WeakPolarHBondContact O-CB 3.4Å
155F85.2Confident85.5Confident153 Ų15362.3 Ų62.367%0.67132%0.319SS*.Iπ-helixtrans-110.6-43.8-174.8-65.4-94.1000112.5I151I151-F155 WeakPolarHBondContact O-CB 3.46Å; I151-F155 PolarHBondContact O-N 2.99Å
156L83.6Confident85.6Confident128 Ų12862.3 Ų62.367%0.6732%0.319SS*.Iπ-helixtrans-84.8-48.3-177.6-62.2176.9000112.5I151 A152I151-L156 PolarHBondContact O-N 2.81Å; A152-L156 WeakPolarHBondContact O-CB 3.37Å; A152-L156 PolarHBondContact O-N 3.1Å
157L85.3Confident85.8Confident21 Ų2163 Ų6311%0.1132%0.322CS..SBendtrans-101.615.3-170.7-70.8128.7000113.6A152 N159 F160 N165 L168 S169A152-L157 HydrophobicContact CB-CD1 4.17Å; A152-L157 WeakPolarHBondContact O-CB 3.44Å; A152-L157 WeakPolarHBondContact O-CD1 3.16Å; A152-L157 PolarHBondContact O-N 3.47Å; L157-N159 PolarHBondContact O-N 3.1Å; L157-F160 HydrophobicContact CB-CD2 4.32Å; L157-F160 HydrophobicContact CD2-CB 4.47Å; L157-F160 HydrophobicContact CD2-CD2 4.04Å; L157-F160 HydrophobicContact CD2-CE2 4.47Å; L157-F160 HydrophobicContact CD2-CG 4.16Å; L157-F160 HydrophobicContact CG-CD2 4.47Å; L157-F160 WeakPolarHBondContact O-CB 3.18Å; L157-F160 PolarHBondContact O-N 3.42Å; L157-N165 HydrophobicContact CB-CB 4.14Å; L157-N165 PolarHBondContact O-ND2 3.46Å; L157-L168 HydrophobicContact CD1-CB 4.22Å; L157-L168 HydrophobicContact CD2-CB 3.85Å; L157-L168 HydrophobicContact CD2-CD1 3.56Å; L157-L168 HydrophobicContact CD2-CG 4.36Å; L157-S169 WeakPolarHBondContact CD1-OG 3.38Å
158K82.6Confident85.9Confident120 Ų12063.3 Ų63.352%0.52232%0.321SS..THydrogen-bonded Turntrans-60.1-23.8-172.376.4176.1-173.6176.50115.6W51 F154W51-K158 HydrophobicContact CH2-CB 4.41Å; W51-K158 WeakPolarHBondContact CH2-O 3.28Å; F154-K158 WeakPolarHBondContact O-CB 3.4Å
159N83.1Confident86.1Confident141 Ų14161.2 Ų61.275%0.75431%0.31SS*.THydrogen-bonded Turntrans-99.3-3.2-178.6-64-35.3000112.4L157L157-N159 PolarHBondContact O-N 3.1Å
160F84.8Confident86.2Confident113 Ų11361.2 Ų61.250%0.49631%0.31SS..SBendtrans-84.4161.5-179.4-75.1-96.9000111.4L157 V164L157-F160 HydrophobicContact CB-CD2 4.32Å; L157-F160 HydrophobicContact CD2-CB 4.47Å; L157-F160 HydrophobicContact CD2-CD2 4.04Å; L157-F160 HydrophobicContact CD2-CE2 4.47Å; L157-F160 HydrophobicContact CD2-CG 4.16Å; L157-F160 HydrophobicContact CG-CD2 4.47Å; L157-F160 WeakPolarHBondContact O-CB 3.18Å; L157-F160 PolarHBondContact O-N 3.42Å; F160-V164 HydrophobicContact CD1-CG1 4.26Å
161N86.4Confident86.2Confident95 Ų9560 Ų6051%0.50831%0.309SS..  trans-54.4135.8171.7-176.6-58.9000110.1T163 V164 N165N161-T163 PolarHBondContact O-N 3.02Å; N161-T163 VanDerWaalsContact O-N 3.11Å; N161-T163 WeakPolarHBondContact OD1-CB 3.1Å; N161-T163 PolarHBondContact OD1-N 3.5Å; N161-T163 PolarHBondContact OD1-OG1 2.65Å; N161-V164 HydrophobicContact CB-CB 4.4Å; N161-V164 HydrophobicContact CB-CG2 4.23Å; N161-V164 PolarHBondContact O-N 3.02Å; N161-N165 WeakPolarHBondContact O-CB 3.18Å; N161-N165 PolarHBondContact O-N 3.47Å
162P84.8Confident86.2Confident37 Ų3758.5 Ų58.524%0.2431%0.308CS..Hα-helixtrans-47.6-39.5179.4-31.635.8000114.9W51 M53 Y166W51-P162 HydrophobicContact CB-CB 4.17Å; W51-P162 HydrophobicContact CE3-CB 4.43Å; W51-P162 HydrophobicContact CE3-CG 4.08Å; M53-P162 HydrophobicContact CG-CB 3.42Å; M53-P162 VanDerWaalsContact CG-CB 3.42Å; M53-P162 HydrophobicContact SD-CB 3.75Å; P162-Y166 WeakPolarHBondContact O-CB 3.38Å; P162-Y166 PolarHBondContact O-N 2.9Å
163T85.5Confident86.3Confident47 Ų4758.2 Ų58.229%0.28831%0.305SS..Hα-helixtrans-68.2-44.1179.8-50.40000111.6M53 L61 N161 Y166 I167M53-T163 PolarHBondContact SD-OG1 3.47Å; L61-T163 HydrophobicContact CD1-CG2 3.55Å; N161-T163 PolarHBondContact O-N 3.02Å; N161-T163 VanDerWaalsContact O-N 3.11Å; N161-T163 WeakPolarHBondContact OD1-CB 3.1Å; N161-T163 PolarHBondContact OD1-N 3.5Å; N161-T163 PolarHBondContact OD1-OG1 2.65Å; T163-Y166 PolarHBondContact O-N 2.95Å; T163-I167 HydrophobicContact CG2-CD1 4.28Å; T163-I167 WeakPolarHBondContact O-CG1 3.45Å; T163-I167 PolarHBondContact O-N 3.45Å; T163-I167 VanDerWaalsContact O-N 3.1Å
164V86.9Confident86.2Confident62 Ų6258.2 Ų58.238%0.37631%0.305SS..Hα-helixtrans-68.5-40.4177.9175.80000110.4F160 N161 Y166 I167 L168F160-V164 HydrophobicContact CD1-CG1 4.26Å; N161-V164 HydrophobicContact CB-CB 4.4Å; N161-V164 HydrophobicContact CB-CG2 4.23Å; N161-V164 PolarHBondContact O-N 3.02Å; V164-Y166 VanDerWaalsContact C-N 3.34Å; V164-Y166 PolarHBondContact O-N 3.5Å; V164-I167 PolarHBondContact O-N 3.08Å; V164-L168 HydrophobicContact CG1-CD1 3.64Å; V164-L168 HydrophobicContact CG1-CG 4.36Å; V164-L168 WeakPolarHBondContact O-CB 3.2Å; V164-L168 WeakPolarHBondContact O-CG 3.45Å; V164-L168 PolarHBondContact O-N 3.35Å
165N90.1Very high86.1Confident0 Ų056.1 Ų56.10%030%0.302CS..Hα-helixtrans-58.5-46.6174.5-176.8-29.2000110.7F47 W51 S153 L157 N161 S169F47-N165 HydrophobicContact CE1-CB 4.15Å; F47-N165 WeakPolarHBondContact CE1-OD1 3.3Å; F47-N165 WeakPolarHBondContact CZ-OD1 3.35Å; W51-N165 WeakPolarHBondContact CZ2-ND2 3.04Å; S153-N165 VanDerWaalsContact CA-OD1 3.28Å; S153-N165 WeakPolarHBondContact CA-OD1 3.28Å; S153-N165 WeakPolarHBondContact CB-OD1 3.46Å; S153-N165 PolarHBondContact O-ND2 3.11Å; S153-N165 PolarHBondContact OG-OD1 3.36Å; L157-N165 HydrophobicContact CB-CB 4.14Å; L157-N165 PolarHBondContact O-ND2 3.46Å; N161-N165 WeakPolarHBondContact O-CB 3.18Å; N161-N165 PolarHBondContact O-N 3.47Å; N165-S169 WeakPolarHBondContact O-CB 3.38Å; N165-S169 PolarHBondContact O-N 3.5Å; N165-S169 PolarHBondContact O-OG 3.16Å; N165-S169 PolarHBondContact OD1-OG 2.92Å
166Y86.8Confident85.9Confident0 Ų052.8 Ų52.80%029%0.291CS..Hα-helixtrans-61.6-51.9178.6-180-105000112.5P43 F47 M53 L61 Y62 M65 P162 T163 V164 L168 S169 I170P43-Y166 HydrophobicContact CB-CE2 4.45Å; F47-Y166 HydrophobicContact CB-CD2 4.11Å; F47-Y166 AromaticContact CD1-CD2 3.96Å; F47-Y166 HydrophobicContact CD1-CD2 3.96Å; F47-Y166 HydrophobicContact CD1-CG 4.29Å; F47-Y166 AromaticContact CD2-CD2 3.47Å; F47-Y166 HydrophobicContact CD2-CD2 3.47Å; F47-Y166 VanDerWaalsContact CD2-CD2 3.47Å; F47-Y166 HydrophobicContact CD2-CE2 4.12Å; F47-Y166 VanDerWaalsContact CE1-CA 3.42Å; F47-Y166 HydrophobicContact CE1-CD2 4.18Å; F47-Y166 HydrophobicContact CE1-CG 4.42Å; F47-Y166 AromaticContact CE2-CD2 3.71Å; F47-Y166 HydrophobicContact CE2-CD2 3.71Å; F47-Y166 HydrophobicContact CE2-CE2 4.49Å; F47-Y166 AromaticContact CG-CD2 3.56Å; F47-Y166 HydrophobicContact CG-CD2 3.56Å; F47-Y166 HydrophobicContact CG-CE2 4.42Å; F47-Y166 HydrophobicContact CG-CG 4.31Å; F47-Y166 HydrophobicContact CZ-CD2 4.04Å; M53-Y166 HydrophobicContact CE-CG 4.41Å; L61-Y166 HydrophobicContact CD2-CD1 3.39Å; L61-Y166 HydrophobicContact CD2-CE1 3.64Å; Y62-Y166 HydrophobicContact CD1-CD1 4.25Å; Y62-Y166 AromaticContact CD1-CE1 3.59Å; Y62-Y166 HydrophobicContact CD1-CE1 3.59Å; Y62-Y166 AromaticContact CD1-CE2 4Å; Y62-Y166 HydrophobicContact CD1-CE2 4Å; Y62-Y166 AromaticContact CD1-CZ 3.46Å; Y62-Y166 VanDerWaalsContact CD1-CZ 3.46Å; Y62-Y166 HydrophobicContact CE1-CD1 4.24Å; Y62-Y166 HydrophobicContact CE1-CD2 4.18Å; Y62-Y166 AromaticContact CE1-CE1 3.99Å; Y62-Y166 HydrophobicContact CE1-CE1 3.99Å; Y62-Y166 AromaticContact CE1-CE2 3.96Å; Y62-Y166 HydrophobicContact CE1-CE2 3.96Å; Y62-Y166 HydrophobicContact CE1-CG 4.31Å; Y62-Y166 AromaticContact CE1-CZ 3.87Å; M65-Y166 HydrophobicContact CB-CD1 4.49Å; M65-Y166 HydrophobicContact CB-CE1 3.53Å; M65-Y166 HydrophobicContact CG-CD1 4.25Å; M65-Y166 HydrophobicContact CG-CE1 3.71Å; P162-Y166 WeakPolarHBondContact O-CB 3.38Å; P162-Y166 PolarHBondContact O-N 2.9Å; T163-Y166 PolarHBondContact O-N 2.95Å; V164-Y166 VanDerWaalsContact C-N 3.34Å; V164-Y166 PolarHBondContact O-N 3.5Å; Y166-L168 PolarHBondContact O-N 3.36Å; Y166-S169 PolarHBondContact O-N 3.34Å; Y166-I170 HydrophobicContact CD2-CG1 3.89Å; Y166-I170 HydrophobicContact CE1-CG1 4.47Å; Y166-I170 HydrophobicContact CE2-CD1 4.02Å; Y166-I170 HydrophobicContact CE2-CG1 3.63Å; Y166-I170 HydrophobicContact CG-CG1 4.43Å; Y166-I170 WeakPolarHBondContact O-CB 3.41Å; Y166-I170 WeakPolarHBondContact O-CG1 3.49Å; Y166-I170 PolarHBondContact O-N 2.98Å
167I89.1Confident85.8Confident60 Ų6046.8 Ų46.831%0.30826%0.259SS..Hα-helixtrans-59.6-48.4-178.6-66.7165.1000110.7L61 M65 T163 V164 S171L61-I167 HydrophobicContact CD1-CD1 4.03Å; L61-I167 HydrophobicContact CD1-CG1 4.42Å; L61-I167 HydrophobicContact CD2-CG1 4.24Å; M65-I167 HydrophobicContact CE-CB 4.47Å; M65-I167 HydrophobicContact CE-CG2 4.24Å; M65-I167 WeakPolarHBondContact CE-O 3.38Å; M65-I167 HydrophobicContact SD-CG1 4.34Å; M65-I167 HydrophobicContact SD-CG2 4.25Å; T163-I167 HydrophobicContact CG2-CD1 4.28Å; T163-I167 WeakPolarHBondContact O-CG1 3.45Å; T163-I167 PolarHBondContact O-N 3.45Å; T163-I167 VanDerWaalsContact O-N 3.1Å; V164-I167 PolarHBondContact O-N 3.08Å; I167-S171 WeakPolarHBondContact O-CB 3.27Å; I167-S171 PolarHBondContact O-N 3.39Å; I167-S171 PolarHBondContact O-OG 3.48Å
168L88.8Confident85.5Confident80 Ų8046.2 Ų46.242%0.41926%0.258SS..Hα-helixtrans-69.6-43.9-177.2-75.3172.5000111.7L157 V164 Y166 I170 S171 A172L157-L168 HydrophobicContact CD1-CB 4.22Å; L157-L168 HydrophobicContact CD2-CB 3.85Å; L157-L168 HydrophobicContact CD2-CD1 3.56Å; L157-L168 HydrophobicContact CD2-CG 4.36Å; V164-L168 HydrophobicContact CG1-CD1 3.64Å; V164-L168 HydrophobicContact CG1-CG 4.36Å; V164-L168 WeakPolarHBondContact O-CB 3.2Å; V164-L168 WeakPolarHBondContact O-CG 3.45Å; V164-L168 PolarHBondContact O-N 3.35Å; Y166-L168 PolarHBondContact O-N 3.36Å; L168-I170 PolarHBondContact O-N 3.43Å; L168-S171 PolarHBondContact O-N 3.01Å; L168-A172 WeakPolarHBondContact O-CA 3.34Å; L168-A172 WeakPolarHBondContact O-CB 3.13Å; L168-A172 PolarHBondContact O-N 2.95Å
169S88Confident85.3Confident0 Ų046.3 Ų46.30%026%0.263CS..Hα-helixtrans-63.5-43.6-179.4-62.90000111.7S153 L157 N165 Y166 S173S153-S169 WeakPolarHBondContact CA-OG 3.03Å; S153-S169 PolarHBondContact N-OG 3.43Å; L157-S169 WeakPolarHBondContact CD1-OG 3.38Å; N165-S169 WeakPolarHBondContact O-CB 3.38Å; N165-S169 PolarHBondContact O-N 3.5Å; N165-S169 PolarHBondContact O-OG 3.16Å; N165-S169 PolarHBondContact OD1-OG 2.92Å; Y166-S169 PolarHBondContact O-N 3.34Å; S169-S173 WeakPolarHBondContact O-CB 3.48Å; S169-S173 PolarHBondContact O-N 3.31Å; S169-S173 PolarHBondContact O-OG 2.94Å
170I89.9Confident84.7Confident2 Ų244.7 Ų44.71%0.0125%0.254CS..Hα-helixtrans-69.8-47.4179-63.2-69.4000111P43 M65 F145 V149 Y166 L168 S174P43-I170 HydrophobicContact CB-CD1 3.42Å; P43-I170 VanDerWaalsContact CB-CD1 3.42Å; P43-I170 HydrophobicContact CG-CD1 3.62Å; M65-I170 HydrophobicContact CE-CB 3.78Å; M65-I170 HydrophobicContact CE-CG2 3.72Å; F145-I170 HydrophobicContact CZ-CD1 4.18Å; V149-I170 HydrophobicContact CG1-CD1 4.38Å; V149-I170 HydrophobicContact CG2-CD1 4.22Å; Y166-I170 HydrophobicContact CD2-CG1 3.89Å; Y166-I170 HydrophobicContact CE1-CG1 4.47Å; Y166-I170 HydrophobicContact CE2-CD1 4.02Å; Y166-I170 HydrophobicContact CE2-CG1 3.63Å; Y166-I170 HydrophobicContact CG-CG1 4.43Å; Y166-I170 WeakPolarHBondContact O-CB 3.41Å; Y166-I170 WeakPolarHBondContact O-CG1 3.49Å; Y166-I170 PolarHBondContact O-N 2.98Å; L168-I170 PolarHBondContact O-N 3.43Å; I170-S174 VanDerWaalsContact O-CB 3.29Å; I170-S174 WeakPolarHBondContact O-CB 3.28Å; I170-S174 PolarHBondContact O-N 3.38Å; I170-S174 PolarHBondContact O-OG 2.95Å
171S87.9Confident83.9Confident49 Ų4939.6 Ų39.634%0.34323%0.232SC..Hα-helixtrans-63.9-46.5179.5-63.80000112M65 I167 L168 S174 G175M65-S171 WeakPolarHBondContact CE-OG 3.44Å; I167-S171 WeakPolarHBondContact O-CB 3.27Å; I167-S171 PolarHBondContact O-N 3.39Å; I167-S171 PolarHBondContact O-OG 3.48Å; L168-S171 PolarHBondContact O-N 3.01Å; S171-S174 PolarHBondContact O-OG 2.8Å; S171-G175 WeakPolarHBondContact O-CA 3.47Å; S171-G175 PolarHBondContact O-N 3.4Å
172A86.5Confident83Confident46 Ų4639 Ų3938%0.3823%0.233SC..Hα-helixtrans-64.3-45.6179.100000110.9L168 L176L168-A172 WeakPolarHBondContact O-CA 3.34Å; L168-A172 WeakPolarHBondContact O-CB 3.13Å; L168-A172 PolarHBondContact O-N 2.95Å; A172-L176 WeakPolarHBondContact O-CB 3.41Å; A172-L176 WeakPolarHBondContact O-CG 3.5Å; A172-L176 PolarHBondContact O-N 3.03Å
173S85.1Confident81.6Confident2 Ų240.2 Ų40.21%0.01425%0.252CS..Hα-helixtrans-67.5-44.1-178.3-55.70000112.2L148 V149 S169 I177L148-S173 VanDerWaalsContact C-OG 3.26Å; L148-S173 PolarHBondContact O-OG 3.11Å; V149-S173 WeakPolarHBondContact CA-OG 3.44Å; V149-S173 VanDerWaalsContact CG2-CB 3.48Å; V149-S173 WeakPolarHBondContact CG2-OG 3.44Å; V149-S173 PolarHBondContact N-OG 2.85Å; V149-S173 VanDerWaalsContact N-OG 3.16Å; S169-S173 WeakPolarHBondContact O-CB 3.48Å; S169-S173 PolarHBondContact O-N 3.31Å; S169-S173 PolarHBondContact O-OG 2.94Å; S173-I177 WeakPolarHBondContact O-CB 3.31Å; S173-I177 WeakPolarHBondContact O-CD1 3.48Å; S173-I177 WeakPolarHBondContact O-CG1 3.36Å; S173-I177 PolarHBondContact O-N 2.98Å; S173-I177 VanDerWaalsContact O-N 3.1Å
174S84.8Confident79.9Confident1 Ų140.3 Ų40.31%0.00725%0.254CS..Hα-helixtrans-69.5-39.7177.458.70000112.5L72 I170 S171 I177 A178L72-S174 WeakPolarHBondContact CD1-OG 3.36Å; I170-S174 VanDerWaalsContact O-CB 3.29Å; I170-S174 WeakPolarHBondContact O-CB 3.28Å; I170-S174 PolarHBondContact O-N 3.38Å; I170-S174 PolarHBondContact O-OG 2.95Å; S171-S174 PolarHBondContact O-OG 2.8Å; S174-I177 PolarHBondContact O-N 2.99Å; S174-A178 WeakPolarHBondContact O-CB 3.23Å; S174-A178 PolarHBondContact O-N 3.48Å
175G83.1Confident77.5Confident22 Ų2249.6 Ų49.623%0.22729%0.289CS..Hα-helixtrans-65.5-45.817500000112.8S171 I177 A178 L179S171-G175 WeakPolarHBondContact O-CA 3.47Å; S171-G175 PolarHBondContact O-N 3.4Å; G175-I177 VanDerWaalsContact C-N 3.3Å; G175-I177 PolarHBondContact O-N 2.85Å; G175-A178 PolarHBondContact O-N 2.96Å; G175-L179 WeakPolarHBondContact O-CB 3.42Å; G175-L179 VanDerWaalsContact O-CG 3.31Å; G175-L179 WeakPolarHBondContact O-CG 3.21Å; G175-L179 PolarHBondContact O-N 3.33Å
176L81.7Confident76.9Confident82 Ų8252.1 Ų52.143%0.42930%0.304SS..Hα-helixtrans-60.5-40.6175.8-78.3170.6000111.4L148 A172 L179 L180L148-L176 HydrophobicContact CD1-CB 4.08Å; L148-L176 HydrophobicContact CD1-CD1 4.39Å; A172-L176 WeakPolarHBondContact O-CB 3.41Å; A172-L176 WeakPolarHBondContact O-CG 3.5Å; A172-L176 PolarHBondContact O-N 3.03Å; L176-L179 PolarHBondContact O-N 2.87Å; L176-L180 WeakPolarHBondContact O-CB 3.14Å; L176-L180 WeakPolarHBondContact O-CG 3.18Å; L176-L180 PolarHBondContact O-N 2.82Å
177I81.2Confident76.3Confident2 Ų254.8 Ų54.81%0.0132%0.32CS..Hα-helixtrans-67.9-41.4178-72.4171.1000111.7A76 L144 F145 L148 S173 S174 G175 L179 S181A76-I177 HydrophobicContact CB-CG2 3.45Å; A76-I177 VanDerWaalsContact CB-CG2 3.45Å; L144-I177 HydrophobicContact CB-CD1 4.38Å; L144-I177 HydrophobicContact CD2-CD1 3.88Å; L144-I177 HydrophobicContact CD2-CG1 3.47Å; L144-I177 VanDerWaalsContact CD2-CG1 3.47Å; F145-I177 HydrophobicContact CB-CD1 3.38Å; F145-I177 HydrophobicContact CD2-CD1 3.97Å; F145-I177 HydrophobicContact CG-CD1 4.17Å; L148-I177 HydrophobicContact CD1-CD1 4.18Å; L148-I177 HydrophobicContact CD1-CG1 3.93Å; S173-I177 WeakPolarHBondContact O-CB 3.31Å; S173-I177 WeakPolarHBondContact O-CD1 3.48Å; S173-I177 WeakPolarHBondContact O-CG1 3.36Å; S173-I177 PolarHBondContact O-N 2.98Å; S173-I177 VanDerWaalsContact O-N 3.1Å; S174-I177 PolarHBondContact O-N 2.99Å; G175-I177 VanDerWaalsContact C-N 3.3Å; G175-I177 PolarHBondContact O-N 2.85Å; I177-L179 VanDerWaalsContact C-N 3.31Å; I177-L179 PolarHBondContact O-N 3.42Å; I177-S181 WeakPolarHBondContact O-CB 3.31Å; I177-S181 PolarHBondContact O-N 2.96Å
178A78.9Confident75.6Confident10 Ų1054.6 Ų54.68%0.08332%0.32CS..Hα-helixtrans-61.5-39.9173.600000112.1L72 F75 S174 G175 T182L72-A178 HydrophobicContact CD2-CB 3.81Å; F75-A178 HydrophobicContact CD1-CB 4.2Å; S174-A178 WeakPolarHBondContact O-CB 3.23Å; S174-A178 PolarHBondContact O-N 3.48Å; G175-A178 PolarHBondContact O-N 2.96Å; A178-T182 PolarHBondContact O-N 3.18Å; A178-T182 PolarHBondContact O-OG1 3.06Å
179L78.1Confident74.8Confident122 Ų12253.1 Ų53.164%0.63932%0.315SS*.Hα-helixtrans-67.7-51.1176.4-73.8169.1000112.1G175 L176 I177 S181 T182 G183G175-L179 WeakPolarHBondContact O-CB 3.42Å; G175-L179 VanDerWaalsContact O-CG 3.31Å; G175-L179 WeakPolarHBondContact O-CG 3.21Å; G175-L179 PolarHBondContact O-N 3.33Å; L176-L179 PolarHBondContact O-N 2.87Å; I177-L179 VanDerWaalsContact C-N 3.31Å; I177-L179 PolarHBondContact O-N 3.42Å; L179-S181 PolarHBondContact O-N 3.49Å; L179-T182 CarbonylContact O-C 3.51Å; L179-T182 WeakPolarHBondContact O-CA 3.33Å; L179-T182 WeakPolarHBondContact O-CB 3.35Å; L179-T182 PolarHBondContact O-N 2.93Å; L179-G183 PolarHBondContact O-N 2.86Å
180L70.3Confident74Confident107 Ų10756.4 Ų56.456%0.5633%0.334SS*.Hα-helixtrans-59-37177-72.3173.8000111.4L144 L176 T182 G183L144-L180 HydrophobicContact CD2-CD1 4.1Å; L176-L180 WeakPolarHBondContact O-CB 3.14Å; L176-L180 WeakPolarHBondContact O-CG 3.18Å; L176-L180 PolarHBondContact O-N 2.82Å; L180-T182 PolarHBondContact O-N 2.93Å; L180-G183 PolarHBondContact O-N 3.32Å
181S67.7Low73Confident5 Ų560 Ų604%0.03536%0.356CS..Hα-helixtrans-66.6-21.4174.7-177.70000113.7A76 N79 V80 I177 L179A76-S181 PolarHBondContact O-OG 3.23Å; A76-S181 VanDerWaalsContact O-OG 3.06Å; N79-S181 WeakPolarHBondContact CB-OG 3.49Å; V80-S181 VanDerWaalsContact CG2-OG 3.25Å; V80-S181 WeakPolarHBondContact CG2-OG 3.46Å; V80-S181 PolarHBondContact N-OG 3.37Å; I177-S181 WeakPolarHBondContact O-CB 3.31Å; I177-S181 PolarHBondContact O-N 2.96Å; L179-S181 PolarHBondContact O-N 3.49Å
182T68.1Low71.9Confident84 Ų8460.8 Ų60.852%0.51536%0.357SS..Hα-helixtrans-96.7-25.6179.1-520000112A178 L179 L180 S184A178-T182 PolarHBondContact O-N 3.18Å; A178-T182 PolarHBondContact O-OG1 3.06Å; L179-T182 CarbonylContact O-C 3.51Å; L179-T182 WeakPolarHBondContact O-CA 3.33Å; L179-T182 WeakPolarHBondContact O-CB 3.35Å; L179-T182 PolarHBondContact O-N 2.93Å; L180-T182 PolarHBondContact O-N 2.93Å; T182-S184 PolarHBondContact O-N 3.01Å
183G55.7Low70.8Confident62 Ų6261.9 Ų61.964%0.63936%0.355SS*.Hα-helixtrans-81.3-5.7-174.600000116.2L179 L180 K185L179-G183 PolarHBondContact O-N 2.86Å; L180-G183 PolarHBondContact O-N 3.32Å; G183-K185 VanDerWaalsContact C-N 3.27Å; G183-K185 PolarHBondContact O-N 3.03Å
184S50.2Low69.6Low48 Ų4866.9 Ų66.934%0.33638%0.383SS..  trans-8768.1177.7-144.40000110.5K87 T182K87-S184 PolarHBondContact NZ-OG 3.23Å; T182-S184 PolarHBondContact O-N 3.01Å
185K35.3Very low68.2Low258 Ų25872.9 Ų72.9100%1.12242%0.418SS*.  trans-78.20161.3-82.6-172.3177.1-176.20110.4G183G183-K185 VanDerWaalsContact C-N 3.27Å; G183-K185 PolarHBondContact O-N 3.03Å

Retrieved 185 of 185 residues in 106.9 ms (Link to these results)