A0A5K4EFP0_SCHMA Loading...

Putative sugar transporter

AlphaFold DB , UniProt , Accession A0A5K4EFP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 146 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M40.3Very low50.4Low234 Ų234144.1 Ų144.1100%1.15374%0.744SS**  075.80-158.3173.3-160.100109.4
2R49.5Very low50.7Low225 Ų225141.4 Ų141.485%0.84973%0.731SS**  trans-10174.3-178.7-68.5-178.6-175.1173.62108.9
3V58.1Low51.3Low129 Ų129141.7 Ų141.778%0.78272%0.718SS**  trans-122.655176.6-170.70000109.4
4S60.1Low52.4Low109 Ų109134.7 Ų134.776%0.76269%0.689SS**  trans-155.722.9172.744.10000112.4
5R50.7Low53.8Low224 Ų224126.4 Ų126.485%0.84565%0.648SS**  trans-103.65.3173-61.1-174.473.298.8-1.3113.8
6S46.4Very low55.4Low93 Ų93120.6 Ų120.665%0.6562%0.623SS**  trans-113.4110.416553.70000104.9
7V52.3Low57.1Low108 Ų108117.6 Ų117.666%0.65561%0.611SS**  cis-151.412948.6172.30000107.6N9V7-N9 HydrophobicContact CG1-CB 3.85Å; V7-N9 VanDerWaalsContact CG1-CG 3.5Å; V7-N9 WeakPolarHBondContact CG1-ND2 3.5Å; V7-N9 PolarHBondContact O-N 2.76Å
8Q47.1Very low58.6Low189 Ų189115.3 Ų115.388%0.88360%0.603SS**  trans-69.949.9172-171.5157.6-57.900111.7
9N46.5Very low59.9Low98 Ų98110.2 Ų110.252%0.52458%0.577SS.*  trans-117.772.9167.6-65.5-13.4000105.7V7 E11 L12V7-N9 HydrophobicContact CG1-CB 3.85Å; V7-N9 VanDerWaalsContact CG1-CG 3.5Å; V7-N9 WeakPolarHBondContact CG1-ND2 3.5Å; V7-N9 PolarHBondContact O-N 2.76Å; N9-E11 PolarHBondContact O-N 3.29Å; N9-L12 HydrophobicContact CB-CD1 3.96Å; N9-L12 HydrophobicContact CB-CG 4.3Å; N9-L12 PolarHBondContact O-N 3.07Å
10S51.5Low61.1Low110 Ų110109.7 Ų109.777%0.76958%0.578SS**THydrogen-bonded Turntrans-55.36.5-175.943.90000115.8
11E51.8Low62.3Low66 Ų66107.3 Ų107.331%0.30857%0.57SS.*THydrogen-bonded Turntrans-124.2-0.9-167.7-59.9-66136.200113.2N9 Y77 I80 S81N9-E11 PolarHBondContact O-N 3.29Å; E11-Y77 WeakPolarHBondContact O-CE2 3.37Å; E11-Y77 PolarHBondContact O-OH 3.03Å; E11-I80 VanDerWaalsContact CD-CG2 3.42Å; E11-I80 WeakPolarHBondContact OE1-CG2 3.4Å; E11-I80 VanDerWaalsContact OE2-C 3.24Å; E11-I80 WeakPolarHBondContact OE2-CB 3.41Å; E11-I80 WeakPolarHBondContact OE2-CG2 3.44Å; E11-S81 PolarHBondContact OE2-N 2.85Å
12L54.1Low64.5Low112 Ų11298.2 Ų98.259%0.58653%0.529SS*.  trans-111.21.8-167.4-62.4-179.6000116.5N9 S14 Y77N9-L12 HydrophobicContact CB-CD1 3.96Å; N9-L12 HydrophobicContact CB-CG 4.3Å; N9-L12 PolarHBondContact O-N 3.07Å; L12-S14 PolarHBondContact O-N 3.13Å; L12-Y77 WeakPolarHBondContact CD2-OH 3.33Å
13Y59.1Low66.3Low145 Ų14590.9 Ų90.957%0.56951%0.505SS*.SBendtrans-7698.1168.5-162.7-87.6000108A15 T17 V18Y13-A15 PolarHBondContact O-N 2.97Å; Y13-A15 VanDerWaalsContact O-N 3.14Å; Y13-T17 HydrophobicContact CE1-CG2 4.24Å; Y13-T17 HydrophobicContact CE2-CG2 4.35Å; Y13-V18 HydrophobicContact CD1-CG2 3.45Å; Y13-V18 VanDerWaalsContact CD1-CG2 3.45Å; Y13-V18 HydrophobicContact CE1-CB 4.03Å; Y13-V18 HydrophobicContact CE1-CG2 3.17Å
14S66.5Low67.9Low44 Ų4490.8 Ų90.831%0.30849%0.494SS..  trans-54.3121.5-179.2-173.40000109L12 S16 T17 V18L12-S14 PolarHBondContact O-N 3.13Å; S14-S16 PolarHBondContact O-N 3.41Å; S14-T17 WeakPolarHBondContact O-CA 3.46Å; S14-T17 VanDerWaalsContact O-CB 3.31Å; S14-T17 WeakPolarHBondContact O-CB 3.44Å; S14-T17 PolarHBondContact O-N 3.4Å; S14-V18 PolarHBondContact O-N 3.2Å
15A72.8Confident69.4Low10 Ų1090.6 Ų90.68%0.08348%0.484CS..Hα-helixtrans-56.9-28-179.400000111.4Y13 T17 V18 V19 N73Y13-A15 PolarHBondContact O-N 2.97Å; Y13-A15 VanDerWaalsContact O-N 3.14Å; A15-T17 VanDerWaalsContact C-N 3.34Å; A15-T17 PolarHBondContact O-N 2.99Å; A15-V18 PolarHBondContact O-N 3.47Å; A15-V19 WeakPolarHBondContact O-CG2 3.29Å; A15-V19 PolarHBondContact O-N 3.06Å; A15-V19 VanDerWaalsContact O-N 3.16Å; A15-N73 HydrophobicContact CB-CB 3.55Å; A15-N73 VanDerWaalsContact CB-O 3.26Å; A15-N73 WeakPolarHBondContact CB-O 3.42Å
16S79Confident71.2Confident34 Ų3485.3 Ų85.324%0.23847%0.467CS..Hα-helixtrans-59.9-37.4170.5-590000113.2S14 V19 V20 N74S14-S16 PolarHBondContact O-N 3.41Å; S16-V19 PolarHBondContact O-N 3.43Å; S16-V20 WeakPolarHBondContact O-CB 3.48Å; S16-V20 VanDerWaalsContact O-CG2 3.28Å; S16-V20 WeakPolarHBondContact O-CG2 3.48Å; S16-V20 PolarHBondContact O-N 3.36Å; S16-N74 PolarHBondContact OG-ND2 3.17Å; S16-N74 VanDerWaalsContact OG-ND2 3.1Å; S16-N74 PolarHBondContact OG-OD1 2.92Å
17T84.8Confident73.2Confident70 Ų7086 Ų8643%0.42946%0.463SS..Hα-helixtrans-65.6-40.9176.3-51.90000111.6Y13 S14 A15 V19 V20 C21Y13-T17 HydrophobicContact CE1-CG2 4.24Å; Y13-T17 HydrophobicContact CE2-CG2 4.35Å; S14-T17 WeakPolarHBondContact O-CA 3.46Å; S14-T17 VanDerWaalsContact O-CB 3.31Å; S14-T17 WeakPolarHBondContact O-CB 3.44Å; S14-T17 PolarHBondContact O-N 3.4Å; A15-T17 VanDerWaalsContact C-N 3.34Å; A15-T17 PolarHBondContact O-N 2.99Å; T17-V19 VanDerWaalsContact C-N 3.29Å; T17-V19 PolarHBondContact O-N 2.95Å; T17-V20 PolarHBondContact O-N 3.28Å; T17-C21 VanDerWaalsContact O-CB 3.22Å; T17-C21 WeakPolarHBondContact O-CB 3.2Å; T17-C21 PolarHBondContact O-N 3.14Å
18V83.6Confident75.1Confident75 Ų7584.6 Ų84.646%0.45545%0.451SS..Hα-helixtrans-58.3-48.7174.9-171.40000108.9Y13 S14 A15 C21 S22Y13-V18 HydrophobicContact CD1-CG2 3.45Å; Y13-V18 VanDerWaalsContact CD1-CG2 3.45Å; Y13-V18 HydrophobicContact CE1-CB 4.03Å; Y13-V18 HydrophobicContact CE1-CG2 3.17Å; S14-V18 PolarHBondContact O-N 3.2Å; A15-V18 PolarHBondContact O-N 3.47Å; V18-C21 PolarHBondContact O-N 3.12Å; V18-S22 WeakPolarHBondContact O-CB 3.37Å; V18-S22 PolarHBondContact O-N 3.34Å
19V83.7Confident77.2Confident18 Ų1880.6 Ų80.611%0.10944%0.435CS..Hα-helixtrans-64.1-48-1761790000110.5A15 S16 T17 C21 S22 E23 I70 N73A15-V19 WeakPolarHBondContact O-CG2 3.29Å; A15-V19 PolarHBondContact O-N 3.06Å; A15-V19 VanDerWaalsContact O-N 3.16Å; S16-V19 PolarHBondContact O-N 3.43Å; T17-V19 VanDerWaalsContact C-N 3.29Å; T17-V19 PolarHBondContact O-N 2.95Å; V19-C21 VanDerWaalsContact C-N 3.32Å; V19-C21 PolarHBondContact O-N 3.17Å; V19-S22 CarbonylContact O-C 3.57Å; V19-S22 WeakPolarHBondContact O-CA 3.38Å; V19-S22 WeakPolarHBondContact O-CB 3.4Å; V19-S22 PolarHBondContact O-N 2.93Å; V19-S22 PolarHBondContact O-OG 3.37Å; V19-E23 HydrophobicContact CG1-CG 4.39Å; V19-E23 WeakPolarHBondContact O-CG 3.42Å; V19-E23 PolarHBondContact O-N 2.81Å; V19-I70 HydrophobicContact CG1-CD1 4.39Å; V19-I70 HydrophobicContact CG1-CG1 3.75Å; V19-N73 HydrophobicContact CG2-CB 4.35Å; V19-N73 WeakPolarHBondContact CG2-ND2 3.48Å
20V84.2Confident79.2Confident100 Ų10078.3 Ų78.361%0.60643%0.427SS*.Hα-helixtrans-61.1-41.6177.4172.90000111.5S16 T17 S22 E23 F24S16-V20 WeakPolarHBondContact O-CB 3.48Å; S16-V20 VanDerWaalsContact O-CG2 3.28Å; S16-V20 WeakPolarHBondContact O-CG2 3.48Å; S16-V20 PolarHBondContact O-N 3.36Å; T17-V20 PolarHBondContact O-N 3.28Å; V20-S22 VanDerWaalsContact C-N 3.3Å; V20-S22 PolarHBondContact O-N 3.38Å; V20-E23 PolarHBondContact O-N 3.1Å; V20-F24 WeakPolarHBondContact O-CB 3.3Å; V20-F24 PolarHBondContact O-N 2.97Å
21C87.1Confident80.8Confident61 Ų6177.3 Ų77.341%0.41242%0.417SS..Hα-helixtrans-61.5-41174.3-171.10000111.2T17 V18 V19 F24 L25T17-C21 VanDerWaalsContact O-CB 3.22Å; T17-C21 WeakPolarHBondContact O-CB 3.2Å; T17-C21 PolarHBondContact O-N 3.14Å; V18-C21 PolarHBondContact O-N 3.12Å; V19-C21 VanDerWaalsContact C-N 3.32Å; V19-C21 PolarHBondContact O-N 3.17Å; C21-F24 PolarHBondContact O-N 3.46Å; C21-L25 WeakPolarHBondContact O-CG 3.39Å; C21-L25 PolarHBondContact O-N 2.99Å
22S86.6Confident82.6Confident42 Ų4278.2 Ų78.229%0.29442%0.423SS..Hα-helixtrans-65.7-39176.282.70000112.6V18 V19 V20 L25 K26V18-S22 WeakPolarHBondContact O-CB 3.37Å; V18-S22 PolarHBondContact O-N 3.34Å; V19-S22 CarbonylContact O-C 3.57Å; V19-S22 WeakPolarHBondContact O-CA 3.38Å; V19-S22 WeakPolarHBondContact O-CB 3.4Å; V19-S22 PolarHBondContact O-N 2.93Å; V19-S22 PolarHBondContact O-OG 3.37Å; V20-S22 VanDerWaalsContact C-N 3.3Å; V20-S22 PolarHBondContact O-N 3.38Å; S22-L25 PolarHBondContact O-N 3.4Å; S22-K26 VanDerWaalsContact O-CG 3.27Å; S22-K26 WeakPolarHBondContact O-CG 3.48Å; S22-K26 PolarHBondContact O-N 3.36Å
23E86.9Confident84.2Confident72 Ų7277.8 Ų77.834%0.33642%0.421SS..Hα-helixtrans-66.4-41.9175.2-69.2-53.1132.300111V19 V20 L25 K26 L27V19-E23 HydrophobicContact CG1-CG 4.39Å; V19-E23 WeakPolarHBondContact O-CG 3.42Å; V19-E23 PolarHBondContact O-N 2.81Å; V20-E23 PolarHBondContact O-N 3.1Å; E23-L25 PolarHBondContact O-N 2.87Å; E23-K26 PolarHBondContact O-N 2.92Å; E23-K26 IonicContact OE1-NZ 2.71Å; E23-K26 PolarHBondContact OE1-NZ 3.35Å; E23-L27 WeakPolarHBondContact O-CG 3.45Å; E23-L27 PolarHBondContact O-N 3.41Å
24F90.9Very high85.5Confident126 Ų12672.7 Ų72.755%0.55340%0.403SS*.Hα-helixtrans-62.2-42.5175.9-171.7-103.2000112.3V20 C21 L27 L28V20-F24 WeakPolarHBondContact O-CB 3.3Å; V20-F24 PolarHBondContact O-N 2.97Å; C21-F24 PolarHBondContact O-N 3.46Å; F24-L27 PolarHBondContact O-N 2.88Å; F24-L28 HydrophobicContact CD1-CD1 3.81Å; F24-L28 HydrophobicContact CD1-CG 4.37Å; F24-L28 HydrophobicContact CE1-CD1 3.39Å; F24-L28 HydrophobicContact CE1-CG 4.04Å; F24-L28 HydrophobicContact CZ-CD1 4.05Å; F24-L28 HydrophobicContact CZ-CG 4.29Å; F24-L28 WeakPolarHBondContact O-CG 3.22Å; F24-L28 PolarHBondContact O-N 3.37Å
25L91Very high86.3Confident106 Ų10675.9 Ų75.956%0.55541%0.411SS*.Hα-helixtrans-63.9-41.3175.2-74.5171.8000112.3C21 S22 E23 L28 L29C21-L25 WeakPolarHBondContact O-CG 3.39Å; C21-L25 PolarHBondContact O-N 2.99Å; S22-L25 PolarHBondContact O-N 3.4Å; E23-L25 PolarHBondContact O-N 2.87Å; L25-L28 PolarHBondContact O-N 2.92Å; L25-L29 WeakPolarHBondContact O-CB 3.29Å; L25-L29 PolarHBondContact O-N 3.24Å
26K89.2Confident86.9Confident112 Ų11284.4 Ų84.449%0.48744%0.442SS..Hα-helixtrans-61.6-43.8174.9-71.5170.6-161.2169.30111.4S22 E23 L29 S30S22-K26 VanDerWaalsContact O-CG 3.27Å; S22-K26 WeakPolarHBondContact O-CG 3.48Å; S22-K26 PolarHBondContact O-N 3.36Å; E23-K26 PolarHBondContact O-N 2.92Å; E23-K26 IonicContact OE1-NZ 2.71Å; E23-K26 PolarHBondContact OE1-NZ 3.35Å; K26-L29 PolarHBondContact O-N 2.88Å; K26-S30 WeakPolarHBondContact O-CB 3.22Å; K26-S30 PolarHBondContact O-N 3.48Å; K26-S30 PolarHBondContact O-OG 2.96Å
27L88.5Confident87Confident107 Ų10790.4 Ų90.456%0.5647%0.467SS*.Hα-helixtrans-63.9-42.3178-73.2174.8000112.2E23 F24 S30 T31E23-L27 WeakPolarHBondContact O-CG 3.45Å; E23-L27 PolarHBondContact O-N 3.41Å; F24-L27 PolarHBondContact O-N 2.88Å; L27-S30 PolarHBondContact O-OG 2.7Å; L27-S30 VanDerWaalsContact O-OG 3.1Å; L27-T31 VanDerWaalsContact O-CB 3.29Å; L27-T31 WeakPolarHBondContact O-CB 3.11Å; L27-T31 PolarHBondContact O-N 2.86Å; L27-T31 PolarHBondContact O-OG1 3.49Å
28L92.3Very high86.6Confident79 Ų7990.1 Ų90.141%0.41446%0.461SS..Hα-helixtrans-62.4-48.2174.2-78.2177000111.2F24 L25 T31 I32F24-L28 HydrophobicContact CD1-CD1 3.81Å; F24-L28 HydrophobicContact CD1-CG 4.37Å; F24-L28 HydrophobicContact CE1-CD1 3.39Å; F24-L28 HydrophobicContact CE1-CG 4.04Å; F24-L28 HydrophobicContact CZ-CD1 4.05Å; F24-L28 HydrophobicContact CZ-CG 4.29Å; F24-L28 WeakPolarHBondContact O-CG 3.22Å; F24-L28 PolarHBondContact O-N 3.37Å; L25-L28 PolarHBondContact O-N 2.92Å; L28-T31 PolarHBondContact O-N 3.02Å; L28-I32 WeakPolarHBondContact O-CB 3.07Å; L28-I32 WeakPolarHBondContact O-CD1 3.26Å; L28-I32 WeakPolarHBondContact O-CG1 3.5Å; L28-I32 PolarHBondContact O-N 2.88Å
29L91.8Very high86Confident105 Ų10589.3 Ų89.355%0.5547%0.467SS..Hα-helixtrans-63.7-44.1-178.6-175.264.1000111.9L25 K26 I32 L33L25-L29 WeakPolarHBondContact O-CB 3.29Å; L25-L29 PolarHBondContact O-N 3.24Å; K26-L29 PolarHBondContact O-N 2.88Å; L29-I32 PolarHBondContact O-N 3.02Å; L29-L33 HydrophobicContact CD1-CD1 4.45Å; L29-L33 HydrophobicContact CD1-CG 4.42Å; L29-L33 HydrophobicContact CG-CD1 4.08Å; L29-L33 HydrophobicContact CG-CG 4.47Å; L29-L33 WeakPolarHBondContact O-CB 3.42Å; L29-L33 VanDerWaalsContact O-CG 3.3Å; L29-L33 WeakPolarHBondContact O-CG 3.31Å; L29-L33 PolarHBondContact O-N 3.17Å
30S87.5Confident85.6Confident50 Ų5093.3 Ų93.335%0.3549%0.485SS..Hα-helixtrans-64.8-40.7177.766.50000111.5K26 L27 L33 I34K26-S30 WeakPolarHBondContact O-CB 3.22Å; K26-S30 PolarHBondContact O-N 3.48Å; K26-S30 PolarHBondContact O-OG 2.96Å; L27-S30 PolarHBondContact O-OG 2.7Å; L27-S30 VanDerWaalsContact O-OG 3.1Å; S30-L33 PolarHBondContact O-N 3.1Å; S30-I34 WeakPolarHBondContact O-CB 3.49Å; S30-I34 WeakPolarHBondContact O-CG1 3.27Å; S30-I34 PolarHBondContact O-N 2.86Å
31T86.3Confident85.1Confident89 Ų8993.7 Ų93.755%0.54648%0.482SS..Hα-helixtrans-61.7-45.9175.4-57.60000111.3L27 L28 F35L27-T31 VanDerWaalsContact O-CB 3.29Å; L27-T31 WeakPolarHBondContact O-CB 3.11Å; L27-T31 PolarHBondContact O-N 2.86Å; L27-T31 PolarHBondContact O-OG1 3.49Å; L28-T31 PolarHBondContact O-N 3.02Å; T31-F35 WeakPolarHBondContact O-CB 3.45Å; T31-F35 PolarHBondContact O-N 3.27Å
32I89.5Confident84.4Confident85 Ų8599.5 Ų99.544%0.43650%0.5SS..Hα-helixtrans-62.5-47.9177.5-69.9165.6000110.7L28 L29 I34 F35 Y36L28-I32 WeakPolarHBondContact O-CB 3.07Å; L28-I32 WeakPolarHBondContact O-CD1 3.26Å; L28-I32 WeakPolarHBondContact O-CG1 3.5Å; L28-I32 PolarHBondContact O-N 2.88Å; L29-I32 PolarHBondContact O-N 3.02Å; I32-I34 PolarHBondContact O-N 3.42Å; I32-F35 WeakPolarHBondContact O-CB 3.34Å; I32-F35 PolarHBondContact O-N 3Å; I32-Y36 HydrophobicContact CG2-CD2 3.58Å; I32-Y36 HydrophobicContact CG2-CE2 3.57Å; I32-Y36 VanDerWaalsContact O-CD2 3.29Å; I32-Y36 WeakPolarHBondContact O-CD2 3.4Å; I32-Y36 PolarHBondContact O-N 3.45Å
33L87.4Confident83.8Confident104 Ų104104.4 Ų104.455%0.54551%0.512SS..Hα-helixtrans-59.4-44.1179.6-77.3172.7000112.2L29 S30 F35 Y36 Q37L29-L33 HydrophobicContact CD1-CD1 4.45Å; L29-L33 HydrophobicContact CD1-CG 4.42Å; L29-L33 HydrophobicContact CG-CD1 4.08Å; L29-L33 HydrophobicContact CG-CG 4.47Å; L29-L33 WeakPolarHBondContact O-CB 3.42Å; L29-L33 VanDerWaalsContact O-CG 3.3Å; L29-L33 WeakPolarHBondContact O-CG 3.31Å; L29-L33 PolarHBondContact O-N 3.17Å; S30-L33 PolarHBondContact O-N 3.1Å; L33-F35 VanDerWaalsContact C-N 3.32Å; L33-F35 PolarHBondContact O-N 3.46Å; L33-Y36 PolarHBondContact O-N 2.96Å; L33-Q37 WeakPolarHBondContact O-CB 3.43Å; L33-Q37 PolarHBondContact O-N 3.34Å
34I85.1Confident83Confident38 Ų38101.4 Ų101.420%0.19550%0.499CS..Hα-helixtrans-66.6-36.4178.5-65.6169000111.1S30 I32 Q37 E38 S44 I48S30-I34 WeakPolarHBondContact O-CB 3.49Å; S30-I34 WeakPolarHBondContact O-CG1 3.27Å; S30-I34 PolarHBondContact O-N 2.86Å; I32-I34 PolarHBondContact O-N 3.42Å; I34-Q37 PolarHBondContact O-N 2.9Å; I34-E38 PolarHBondContact O-N 3.37Å; I34-E38 VanDerWaalsContact O-N 3.14Å; I34-S44 PolarHBondContact O-OG 3.06Å; I34-I48 HydrophobicContact CD1-CD1 3.84Å; I34-I48 HydrophobicContact CD1-CG1 3.61Å; I34-I48 HydrophobicContact CG2-CD1 4.09Å; I34-I48 HydrophobicContact CG2-CG1 4.26Å
35F83.7Confident82.2Confident110 Ų110100.4 Ų100.448%0.48250%0.499SS..Hα-helixtrans-64.9-41.1174.7-174.2-97000111.9T31 I32 L33 G39 I41T31-F35 WeakPolarHBondContact O-CB 3.45Å; T31-F35 PolarHBondContact O-N 3.27Å; I32-F35 WeakPolarHBondContact O-CB 3.34Å; I32-F35 PolarHBondContact O-N 3Å; L33-F35 VanDerWaalsContact C-N 3.32Å; L33-F35 PolarHBondContact O-N 3.46Å; F35-G39 WeakPolarHBondContact O-CA 3.36Å; F35-G39 PolarHBondContact O-N 3.29Å; F35-G39 VanDerWaalsContact O-N 3.13Å; F35-I41 HydrophobicContact CD2-CG1 4.07Å; F35-I41 HydrophobicContact CE2-CD1 4.16Å; F35-I41 HydrophobicContact CE2-CG1 3.63Å
36Y85.7Confident81.4Confident189 Ų18998.3 Ų98.374%0.74149%0.493SS*.Hα-helixtrans-67.1-35.7174.5-88.2-74000113.2I32 L33I32-Y36 HydrophobicContact CG2-CD2 3.58Å; I32-Y36 HydrophobicContact CG2-CE2 3.57Å; I32-Y36 VanDerWaalsContact O-CD2 3.29Å; I32-Y36 WeakPolarHBondContact O-CD2 3.4Å; I32-Y36 PolarHBondContact O-N 3.45Å; L33-Y36 PolarHBondContact O-N 2.96Å
37Q82.4Confident80.7Confident160 Ų16095.1 Ų95.175%0.74849%0.485SS*.Hα-helixtrans-75.2-43.1-175.6-171.9169.420.800113L33 I34L33-Q37 WeakPolarHBondContact O-CB 3.43Å; L33-Q37 PolarHBondContact O-N 3.34Å; I34-Q37 PolarHBondContact O-N 2.9Å
38E74.6Confident79.9Confident65 Ų6592.9 Ų92.930%0.30447%0.473SS..Hα-helixtrans-96-20-173.6-68.4-75.7177.800113.1I34 Q40 R43 S44 S47I34-E38 PolarHBondContact O-N 3.37Å; I34-E38 VanDerWaalsContact O-N 3.14Å; E38-Q40 PolarHBondContact O-N 2.94Å; E38-R43 HydrophobicContact CB-CB 4.36Å; E38-S44 WeakPolarHBondContact CB-OG 3.48Å; E38-S47 PolarHBondContact OE1-OG 3.05Å; E38-S47 VanDerWaalsContact OE1-OG 3.12Å
39G71.8Confident79Confident57 Ų5796.5 Ų96.559%0.58848%0.482SS*.SBendtrans62.5-15.6-178.600000115.7F35F35-G39 WeakPolarHBondContact O-CA 3.36Å; F35-G39 PolarHBondContact O-N 3.29Å; F35-G39 VanDerWaalsContact O-N 3.13Å
40Q75.4Confident78.1Confident103 Ų10395.8 Ų95.848%0.48148%0.479SS..SBendtrans-125.4115.3-177.9-63.2-177-1.900110.3E38 K42 R43 S44E38-Q40 PolarHBondContact O-N 2.94Å; Q40-K42 PolarHBondContact O-N 3.46Å; Q40-R43 HydrophobicContact CB-CB 4.4Å; Q40-R43 HydrophobicContact CB-CG 4.36Å; Q40-R43 PolarHBondContact O-N 3.14Å; Q40-R43 VanDerWaalsContact OE1-NE 3.15Å; Q40-S44 PolarHBondContact O-N 2.87Å; Q40-S44 PolarHBondContact O-OG 3.29Å
41I72.5Confident77.4Confident107 Ų10798.7 Ų98.755%0.54949%0.487SS..Hα-helixtrans-49.7-39.8-178.4-61.8165.2000112.6F35 S44 I45F35-I41 HydrophobicContact CD2-CG1 4.07Å; F35-I41 HydrophobicContact CE2-CD1 4.16Å; F35-I41 HydrophobicContact CE2-CG1 3.63Å; I41-S44 WeakPolarHBondContact O-CB 3.36Å; I41-S44 PolarHBondContact O-N 2.84Å; I41-I45 HydrophobicContact CG2-CD1 3.79Å; I41-I45 HydrophobicContact CG2-CG1 4.44Å; I41-I45 WeakPolarHBondContact O-CG1 3.47Å; I41-I45 PolarHBondContact O-N 2.68Å
42K74Confident76.7Confident183 Ų18398.5 Ų98.580%0.79648%0.482SS*.Hα-helixtrans-66.5-38.8-178.8-65.7-172.2179.8-176.10112.6Q40 S46Q40-K42 PolarHBondContact O-N 3.46Å; K42-S46 PolarHBondContact O-N 3.45Å; K42-S46 VanDerWaalsContact O-N 3.17Å
43R72.7Confident76Confident145 Ų14599 Ų9955%0.54748%0.484SS..Hα-helixtrans-71.3-43.2175.3-68.9-175.4-177.3174.61.3110.5E38 Q40 I45 S46 S47E38-R43 HydrophobicContact CB-CB 4.36Å; Q40-R43 HydrophobicContact CB-CB 4.4Å; Q40-R43 HydrophobicContact CB-CG 4.36Å; Q40-R43 PolarHBondContact O-N 3.14Å; Q40-R43 VanDerWaalsContact OE1-NE 3.15Å; R43-I45 VanDerWaalsContact C-N 3.34Å; R43-I45 PolarHBondContact O-N 2.84Å; R43-S46 PolarHBondContact O-N 2.71Å; R43-S46 VanDerWaalsContact O-N 3.1Å; R43-S47 WeakPolarHBondContact O-CB 3.44Å; R43-S47 PolarHBondContact O-N 3.26Å; R43-S47 PolarHBondContact O-OG 3.2Å
44S71.4Confident75.2Confident9 Ų999.6 Ų99.66%0.06349%0.492CS..Hα-helixtrans-50.3-50.9172.8-60.10000112.6I34 E38 Q40 I41 S47 I48I34-S44 PolarHBondContact O-OG 3.06Å; E38-S44 WeakPolarHBondContact CB-OG 3.48Å; Q40-S44 PolarHBondContact O-N 2.87Å; Q40-S44 PolarHBondContact O-OG 3.29Å; I41-S44 WeakPolarHBondContact O-CB 3.36Å; I41-S44 PolarHBondContact O-N 2.84Å; S44-S47 PolarHBondContact O-N 3.46Å; S44-I48 WeakPolarHBondContact O-CB 3.43Å; S44-I48 WeakPolarHBondContact O-CD1 3.47Å; S44-I48 WeakPolarHBondContact O-CG1 3.27Å; S44-I48 PolarHBondContact O-N 3.5Å
45I73.7Confident74.8Confident105 Ų105101.7 Ų101.754%0.53850%0.501SS..Hα-helixtrans-65.4-40.9179.6-65.9165.7000111.1I41 R43 I48 Y49I41-I45 HydrophobicContact CG2-CD1 3.79Å; I41-I45 HydrophobicContact CG2-CG1 4.44Å; I41-I45 WeakPolarHBondContact O-CG1 3.47Å; I41-I45 PolarHBondContact O-N 2.68Å; R43-I45 VanDerWaalsContact C-N 3.34Å; R43-I45 PolarHBondContact O-N 2.84Å; I45-I48 PolarHBondContact O-N 3.01Å; I45-Y49 WeakPolarHBondContact O-CB 3.09Å; I45-Y49 PolarHBondContact O-N 3.49Å
46S75Confident74.6Confident62 Ų62103.5 Ų103.543%0.43451%0.506SS..Hα-helixtrans-64.9-40.3177.5-168.30000112.1K42 R43 Y49 N50K42-S46 PolarHBondContact O-N 3.45Å; K42-S46 VanDerWaalsContact O-N 3.17Å; R43-S46 PolarHBondContact O-N 2.71Å; R43-S46 VanDerWaalsContact O-N 3.1Å; S46-Y49 PolarHBondContact O-N 3.49Å; S46-N50 WeakPolarHBondContact O-CB 3.45Å; S46-N50 VanDerWaalsContact O-CG 3.3Å; S46-N50 PolarHBondContact O-N 3.06Å; S46-N50 PolarHBondContact O-ND2 3.18Å
47S73.1Confident74.5Confident46 Ų46100 Ų10032%0.32250%0.5SS..Hα-helixtrans-65.5-42.2175.8-640000110.9E38 R43 S44 Q51E38-S47 PolarHBondContact OE1-OG 3.05Å; E38-S47 VanDerWaalsContact OE1-OG 3.12Å; R43-S47 WeakPolarHBondContact O-CB 3.44Å; R43-S47 PolarHBondContact O-N 3.26Å; R43-S47 PolarHBondContact O-OG 3.2Å; S44-S47 PolarHBondContact O-N 3.46Å; S47-Q51 VanDerWaalsContact O-CB 3.27Å; S47-Q51 WeakPolarHBondContact O-CB 3.5Å; S47-Q51 PolarHBondContact O-N 3.07Å
48I71.7Confident74.6Confident60 Ų6095.7 Ų95.731%0.30848%0.482SS..Hα-helixtrans-61-48.6174.1-70.6162.5000110.9I34 S44 I45 N50 Q51 I52I34-I48 HydrophobicContact CD1-CD1 3.84Å; I34-I48 HydrophobicContact CD1-CG1 3.61Å; I34-I48 HydrophobicContact CG2-CD1 4.09Å; I34-I48 HydrophobicContact CG2-CG1 4.26Å; S44-I48 WeakPolarHBondContact O-CB 3.43Å; S44-I48 WeakPolarHBondContact O-CD1 3.47Å; S44-I48 WeakPolarHBondContact O-CG1 3.27Å; S44-I48 PolarHBondContact O-N 3.5Å; I45-I48 PolarHBondContact O-N 3.01Å; I48-N50 PolarHBondContact O-N 3.03Å; I48-Q51 PolarHBondContact O-N 3.32Å; I48-I52 HydrophobicContact CG2-CD1 3.46Å; I48-I52 VanDerWaalsContact CG2-CD1 3.46Å; I48-I52 HydrophobicContact CG2-CG1 4.22Å; I48-I52 WeakPolarHBondContact O-CB 3.42Å; I48-I52 VanDerWaalsContact O-CG1 3.26Å; I48-I52 WeakPolarHBondContact O-CG1 3.22Å; I48-I52 PolarHBondContact O-N 2.9Å
49Y72.9Confident75.1Confident155 Ų15596 Ų9661%0.60848%0.484SS*.Hα-helixtrans-62-45.2-178.8-174.3-101.6000111.6I45 S46 I52 I53I45-Y49 WeakPolarHBondContact O-CB 3.09Å; I45-Y49 PolarHBondContact O-N 3.49Å; S46-Y49 PolarHBondContact O-N 3.49Å; Y49-I52 PolarHBondContact O-N 3.4Å; Y49-I53 HydrophobicContact CD1-CD1 3.68Å; Y49-I53 HydrophobicContact CD2-CD1 3.86Å; Y49-I53 HydrophobicContact CE1-CD1 3.18Å; Y49-I53 HydrophobicContact CE2-CD1 3.38Å; Y49-I53 HydrophobicContact CG-CD1 4Å; Y49-I53 WeakPolarHBondContact O-CB 3.5Å; Y49-I53 PolarHBondContact O-N 3.45Å; Y49-I53 VanDerWaalsContact OH-CD1 3.31Å; Y49-I53 WeakPolarHBondContact OH-CD1 3.43Å
50N73.6Confident75.8Confident90 Ų9096.4 Ų96.448%0.48147%0.472SS..Hα-helixtrans-62.3-43.7175-74.7-18.8000111.3S46 I48 V54S46-N50 WeakPolarHBondContact O-CB 3.45Å; S46-N50 VanDerWaalsContact O-CG 3.3Å; S46-N50 PolarHBondContact O-N 3.06Å; S46-N50 PolarHBondContact O-ND2 3.18Å; I48-N50 PolarHBondContact O-N 3.03Å; N50-V54 WeakPolarHBondContact O-CB 3.41Å; N50-V54 WeakPolarHBondContact O-CG2 3.38Å; N50-V54 PolarHBondContact O-N 3.27Å
51Q71.9Confident76.5Confident111 Ų11197.7 Ų97.752%0.51948%0.478SS..Hα-helixtrans-67.4-40.3-179.5-168.9166.388.400112.5S47 I48 Q55S47-Q51 VanDerWaalsContact O-CB 3.27Å; S47-Q51 WeakPolarHBondContact O-CB 3.5Å; S47-Q51 PolarHBondContact O-N 3.07Å; I48-Q51 PolarHBondContact O-N 3.32Å; Q51-Q55 WeakPolarHBondContact O-CB 3.31Å; Q51-Q55 PolarHBondContact O-N 3.48Å; Q51-Q55 VanDerWaalsContact O-N 3.14Å
52I73Confident77.3Confident85 Ų8597.3 Ų97.344%0.43648%0.476SS..Hα-helixtrans-66.5-43.1177.8-69.4171.6000111.3I48 Y49 Y56 M59I48-I52 HydrophobicContact CG2-CD1 3.46Å; I48-I52 VanDerWaalsContact CG2-CD1 3.46Å; I48-I52 HydrophobicContact CG2-CG1 4.22Å; I48-I52 WeakPolarHBondContact O-CB 3.42Å; I48-I52 VanDerWaalsContact O-CG1 3.26Å; I48-I52 WeakPolarHBondContact O-CG1 3.22Å; I48-I52 PolarHBondContact O-N 2.9Å; Y49-I52 PolarHBondContact O-N 3.4Å; I52-Y56 PolarHBondContact O-N 3.05Å; I52-M59 HydrophobicContact CG1-CE 4.48Å
53I74.2Confident78Confident94 Ų9493.4 Ų93.448%0.48246%0.464SS..Hα-helixtrans-76.7-42.3-177.9-75165.4000111.9Y49 Q55Y49-I53 HydrophobicContact CD1-CD1 3.68Å; Y49-I53 HydrophobicContact CD2-CD1 3.86Å; Y49-I53 HydrophobicContact CE1-CD1 3.18Å; Y49-I53 HydrophobicContact CE2-CD1 3.38Å; Y49-I53 HydrophobicContact CG-CD1 4Å; Y49-I53 WeakPolarHBondContact O-CB 3.5Å; Y49-I53 PolarHBondContact O-N 3.45Å; Y49-I53 VanDerWaalsContact OH-CD1 3.31Å; Y49-I53 WeakPolarHBondContact OH-CD1 3.43Å; I53-Q55 VanDerWaalsContact C-N 3.31Å; I53-Q55 PolarHBondContact O-N 2.9Å
54V71.4Confident78.9Confident117 Ų11791.2 Ų91.271%0.70946%0.462SS*.Hα-helixtrans-68.9-32.8-177.5174.20000111.1N50N50-V54 WeakPolarHBondContact O-CB 3.41Å; N50-V54 WeakPolarHBondContact O-CG2 3.38Å; N50-V54 PolarHBondContact O-N 3.27Å
55Q75Confident79.7Confident83 Ų8393.5 Ų93.539%0.38848%0.476SS..THydrogen-bonded Turntrans-115.630.8-175.2-57.8-167.5-80.900113.9Q51 I53 N57 D58 M59Q51-Q55 WeakPolarHBondContact O-CB 3.31Å; Q51-Q55 PolarHBondContact O-N 3.48Å; Q51-Q55 VanDerWaalsContact O-N 3.14Å; I53-Q55 VanDerWaalsContact C-N 3.31Å; I53-Q55 PolarHBondContact O-N 2.9Å; Q55-N57 PolarHBondContact O-N 2.82Å; Q55-D58 HydrophobicContact CB-CB 4.19Å; Q55-D58 PolarHBondContact NE2-OD2 3.1Å; Q55-D58 WeakPolarHBondContact O-CB 3.28Å; Q55-D58 PolarHBondContact O-N 3.16Å; Q55-M59 WeakPolarHBondContact O-CG 3.39Å; Q55-M59 PolarHBondContact O-N 3.24Å; Q55-M59 VanDerWaalsContact O-N 3.07Å
56Y79.9Confident80.3Confident147 Ų14790.6 Ų90.658%0.57647%0.466SS*.Hα-helixtrans-55.3-36.1179.3-179.9-105.9000113.3I52 D58 M59 I60I52-Y56 PolarHBondContact O-N 3.05Å; Y56-D58 PolarHBondContact O-N 3.31Å; Y56-M59 WeakPolarHBondContact O-CB 3.3Å; Y56-M59 PolarHBondContact O-N 2.88Å; Y56-I60 HydrophobicContact CD1-CD1 3.71Å; Y56-I60 HydrophobicContact CD1-CG1 4.44Å; Y56-I60 HydrophobicContact CE1-CD1 3.14Å; Y56-I60 HydrophobicContact CE1-CG1 3.98Å; Y56-I60 HydrophobicContact CE2-CD1 4.43Å; Y56-I60 HydrophobicContact CE2-CG1 4.44Å; Y56-I60 PolarHBondContact O-N 3.41Å
57N83.8Confident81Confident116 Ų11690.9 Ų90.962%0.6247%0.465SS*.Hα-helixtrans-63.5-41.1175.9-75.2-14.3000112.3Q55 M59 I60 Q61Q55-N57 PolarHBondContact O-N 2.82Å; N57-M59 VanDerWaalsContact C-N 3.28Å; N57-M59 PolarHBondContact O-N 3.35Å; N57-I60 PolarHBondContact O-N 3.43Å; N57-Q61 WeakPolarHBondContact O-CG 3.47Å; N57-Q61 PolarHBondContact O-N 3.4Å
58D84.8Confident81.8Confident70 Ų7093.4 Ų93.437%0.37447%0.474SS..Hα-helixtrans-66.2-36.3177.6-56.9-24.2000110.2Q55 Y56 I60 Q61 I62Q55-D58 HydrophobicContact CB-CB 4.19Å; Q55-D58 PolarHBondContact NE2-OD2 3.1Å; Q55-D58 WeakPolarHBondContact O-CB 3.28Å; Q55-D58 PolarHBondContact O-N 3.16Å; Y56-D58 PolarHBondContact O-N 3.31Å; D58-I60 PolarHBondContact O-N 3.28Å; D58-Q61 WeakPolarHBondContact O-CB 3.32Å; D58-Q61 PolarHBondContact O-N 3.5Å; D58-I62 PolarHBondContact O-N 3.44Å
59M84.8Confident82.5Confident71 Ų7197.5 Ų97.535%0.3549%0.487SS..Hα-helixtrans-61.5-42.3174.1-63.6-70.3174.400112.2I52 Q55 Y56 N57 Q61 I62 L63I52-M59 HydrophobicContact CG1-CE 4.48Å; Q55-M59 WeakPolarHBondContact O-CG 3.39Å; Q55-M59 PolarHBondContact O-N 3.24Å; Q55-M59 VanDerWaalsContact O-N 3.07Å; Y56-M59 WeakPolarHBondContact O-CB 3.3Å; Y56-M59 PolarHBondContact O-N 2.88Å; N57-M59 VanDerWaalsContact C-N 3.28Å; N57-M59 PolarHBondContact O-N 3.35Å; M59-Q61 VanDerWaalsContact C-N 3.35Å; M59-I62 WeakPolarHBondContact O-CG1 3.38Å; M59-I62 PolarHBondContact O-N 3.43Å; M59-I62 HydrophobicContact SD-CD1 4.02Å; M59-L63 WeakPolarHBondContact O-CB 3.02Å; M59-L63 PolarHBondContact O-N 3.34Å
60I87.9Confident83.2Confident65 Ų6593.5 Ų93.533%0.33348%0.475SS..Hα-helixtrans-66-39.9174.8-65.3166000110.6Y56 N57 D58 I62 L63 I64Y56-I60 HydrophobicContact CD1-CD1 3.71Å; Y56-I60 HydrophobicContact CD1-CG1 4.44Å; Y56-I60 HydrophobicContact CE1-CD1 3.14Å; Y56-I60 HydrophobicContact CE1-CG1 3.98Å; Y56-I60 HydrophobicContact CE2-CD1 4.43Å; Y56-I60 HydrophobicContact CE2-CG1 4.44Å; Y56-I60 PolarHBondContact O-N 3.41Å; N57-I60 PolarHBondContact O-N 3.43Å; D58-I60 PolarHBondContact O-N 3.28Å; I60-I62 VanDerWaalsContact C-N 3.33Å; I60-I62 PolarHBondContact O-N 2.86Å; I60-L63 WeakPolarHBondContact O-CB 3.39Å; I60-L63 PolarHBondContact O-N 3.13Å; I60-L63 VanDerWaalsContact O-N 3.13Å; I60-I64 PolarHBondContact O-N 3.01Å
61Q89.1Confident84Confident130 Ų13092.7 Ų92.761%0.60747%0.473SS*.Hα-helixtrans-61.7-38.9179-72.8-179.63.400112.5N57 D58 M59 P65N57-Q61 WeakPolarHBondContact O-CG 3.47Å; N57-Q61 PolarHBondContact O-N 3.4Å; D58-Q61 WeakPolarHBondContact O-CB 3.32Å; D58-Q61 PolarHBondContact O-N 3.5Å; M59-Q61 VanDerWaalsContact C-N 3.35Å; Q61-P65 WeakPolarHBondContact O-CD 3.35Å
62I88.4Confident84.6Confident100 Ų10090.9 Ų90.951%0.51347%0.465SS..Hα-helixtrans-77.9-20.1175.265173.7000113.3D58 M59 I60 P65 S66D58-I62 PolarHBondContact O-N 3.44Å; M59-I62 WeakPolarHBondContact O-CG1 3.38Å; M59-I62 PolarHBondContact O-N 3.43Å; M59-I62 HydrophobicContact SD-CD1 4.02Å; I60-I62 VanDerWaalsContact C-N 3.33Å; I60-I62 PolarHBondContact O-N 2.86Å; I62-P65 WeakPolarHBondContact O-CD 3.43Å; I62-P65 VanDerWaalsContact O-CG 3.3Å; I62-P65 WeakPolarHBondContact O-CG 3.44Å; I62-S66 PolarHBondContact O-N 3.33Å; I62-S66 PolarHBondContact O-OG 2.8Å
63L88.9Confident85.2Confident101 Ų10188.9 Ų88.953%0.52946%0.455SS..Hα-helixtrans-69.4-36.5176.7-178.964000112M59 I60 S66 T67M59-L63 WeakPolarHBondContact O-CB 3.02Å; M59-L63 PolarHBondContact O-N 3.34Å; I60-L63 WeakPolarHBondContact O-CB 3.39Å; I60-L63 PolarHBondContact O-N 3.13Å; I60-L63 VanDerWaalsContact O-N 3.13Å; L63-S66 PolarHBondContact O-N 2.79Å; L63-T67 WeakPolarHBondContact O-CB 3.44Å; L63-T67 PolarHBondContact O-N 2.92Å; L63-T67 PolarHBondContact O-OG1 2.85Å
64I91.7Very high85.7Confident98 Ų9887.5 Ų87.550%0.50345%0.449SS..Hα-helixtrans-56.6-57.1178.9-62.3161.1000111.9I60 S66 T67 L68I60-I64 PolarHBondContact O-N 3.01Å; I64-S66 VanDerWaalsContact C-N 3.32Å; I64-S66 PolarHBondContact O-N 3.06Å; I64-T67 PolarHBondContact O-N 3.35Å; I64-L68 HydrophobicContact CG2-CD1 4.1Å; I64-L68 WeakPolarHBondContact O-CG 3.23Å; I64-L68 PolarHBondContact O-N 3.41Å
65P88.1Confident86.4Confident57 Ų5787.4 Ų87.437%0.3744%0.444SS..Hα-helixtrans-63-39178.423.8-32.5000111.6Q61 I62 T67 L68 Y69Q61-P65 WeakPolarHBondContact O-CD 3.35Å; I62-P65 WeakPolarHBondContact O-CD 3.43Å; I62-P65 VanDerWaalsContact O-CG 3.3Å; I62-P65 WeakPolarHBondContact O-CG 3.44Å; P65-T67 PolarHBondContact O-N 3.29Å; P65-L68 PolarHBondContact O-N 3.14Å; P65-Y69 WeakPolarHBondContact O-CD2 3.35Å; P65-Y69 PolarHBondContact O-N 3.43Å
66S87.6Confident86.8Confident45 Ų4586.4 Ų86.432%0.31544%0.44SS..Hα-helixtrans-59.9-44.8178.5-56.80000112I62 L63 I64 Y69 I70I62-S66 PolarHBondContact O-N 3.33Å; I62-S66 PolarHBondContact O-OG 2.8Å; L63-S66 PolarHBondContact O-N 2.79Å; I64-S66 VanDerWaalsContact C-N 3.32Å; I64-S66 PolarHBondContact O-N 3.06Å; S66-Y69 WeakPolarHBondContact O-CB 3.08Å; S66-Y69 PolarHBondContact O-N 3.1Å; S66-I70 PolarHBondContact O-N 3.3Å; S66-I70 VanDerWaalsContact O-N 3.1Å
67T88.4Confident86.9Confident68 Ų6882.9 Ų82.942%0.41743%0.426SS..Hα-helixtrans-65.6-44.1176.3-54.70000111.4L63 I64 P65 Y69 I70 V71L63-T67 WeakPolarHBondContact O-CB 3.44Å; L63-T67 PolarHBondContact O-N 2.92Å; L63-T67 PolarHBondContact O-OG1 2.85Å; I64-T67 PolarHBondContact O-N 3.35Å; P65-T67 PolarHBondContact O-N 3.29Å; T67-Y69 VanDerWaalsContact C-N 3.25Å; T67-Y69 PolarHBondContact O-N 2.86Å; T67-I70 WeakPolarHBondContact O-CB 3.42Å; T67-I70 PolarHBondContact O-N 3.26Å; T67-I70 VanDerWaalsContact O-N 3.09Å; T67-V71 PolarHBondContact O-N 3Å
68L90.1Very high86.8Confident99 Ų9983.3 Ų83.352%0.51842%0.423SS..Hα-helixtrans-60.6-35.5174.4-73.8171.1000111.9I64 P65 V71 Q72I64-L68 HydrophobicContact CG2-CD1 4.1Å; I64-L68 WeakPolarHBondContact O-CG 3.23Å; I64-L68 PolarHBondContact O-N 3.41Å; P65-L68 PolarHBondContact O-N 3.14Å; L68-V71 PolarHBondContact O-N 3.09Å; L68-Q72 WeakPolarHBondContact O-CB 3.31Å; L68-Q72 VanDerWaalsContact O-CG 3.23Å; L68-Q72 WeakPolarHBondContact O-CG 3.49Å; L68-Q72 PolarHBondContact O-N 2.82Å; L68-Q72 PolarHBondContact O-NE2 3.35Å
69Y87.5Confident86.7Confident145 Ų14581 Ų8157%0.56941%0.414SS*.Hα-helixtrans-64.6-39173.3-87-69.3000112P65 S66 T67 Q72 N73P65-Y69 WeakPolarHBondContact O-CD2 3.35Å; P65-Y69 PolarHBondContact O-N 3.43Å; S66-Y69 WeakPolarHBondContact O-CB 3.08Å; S66-Y69 PolarHBondContact O-N 3.1Å; T67-Y69 VanDerWaalsContact C-N 3.25Å; T67-Y69 PolarHBondContact O-N 2.86Å; Y69-Q72 PolarHBondContact O-N 3.42Å; Y69-N73 VanDerWaalsContact O-CB 3.31Å; Y69-N73 WeakPolarHBondContact O-CB 3.46Å; Y69-N73 PolarHBondContact O-N 2.77Å; Y69-N73 PolarHBondContact O-ND2 3.17Å
70I87.7Confident86.5Confident72 Ų7280.4 Ų80.437%0.36941%0.411SS..Hα-helixtrans-61.9-46.8174.6-66.2165.3000110.5V19 S66 T67 N73 N74V19-I70 HydrophobicContact CG1-CD1 4.39Å; V19-I70 HydrophobicContact CG1-CG1 3.75Å; S66-I70 PolarHBondContact O-N 3.3Å; S66-I70 VanDerWaalsContact O-N 3.1Å; T67-I70 WeakPolarHBondContact O-CB 3.42Å; T67-I70 PolarHBondContact O-N 3.26Å; T67-I70 VanDerWaalsContact O-N 3.09Å; I70-N73 WeakPolarHBondContact O-CB 3.26Å; I70-N73 PolarHBondContact O-N 3.04Å; I70-N74 PolarHBondContact O-N 3.06Å; I70-N74 PolarHBondContact O-ND2 3.33Å
71V88.9Confident86.1Confident73 Ų7380 Ų8044%0.44241%0.414SS..Hα-helixtrans-61.5-46.8177.31750000110.7T67 L68 N73 N74 L75T67-V71 PolarHBondContact O-N 3Å; L68-V71 PolarHBondContact O-N 3.09Å; V71-N73 VanDerWaalsContact C-N 3.29Å; V71-N73 PolarHBondContact O-N 3.04Å; V71-N74 PolarHBondContact O-N 2.93Å; V71-N74 VanDerWaalsContact O-N 3.17Å; V71-L75 HydrophobicContact CG1-CD1 3.93Å; V71-L75 WeakPolarHBondContact O-CD1 2.81Å; V71-L75 PolarHBondContact O-N 3.38Å
72Q86.2Confident85.6Confident73 Ų7379.8 Ų79.834%0.34141%0.413SS..Hα-helixtrans-57.8-41.8176.8-78.5-179.285.500112.4L68 Y69 L75 L76L68-Q72 WeakPolarHBondContact O-CB 3.31Å; L68-Q72 VanDerWaalsContact O-CG 3.23Å; L68-Q72 WeakPolarHBondContact O-CG 3.49Å; L68-Q72 PolarHBondContact O-N 2.82Å; L68-Q72 PolarHBondContact O-NE2 3.35Å; Y69-Q72 PolarHBondContact O-N 3.42Å; Q72-L75 PolarHBondContact O-N 3.44Å; Q72-L76 VanDerWaalsContact O-CB 3.31Å; Q72-L76 WeakPolarHBondContact O-CB 3.47Å; Q72-L76 PolarHBondContact O-N 3.15Å
73N84.1Confident85.3Confident43 Ų4377.5 Ų77.523%0.2340%0.401CS..Hα-helixtrans-63.2-41.7177.1-88.7-60.4000112A15 V19 Y69 I70 V71 L76 Y77A15-N73 HydrophobicContact CB-CB 3.55Å; A15-N73 VanDerWaalsContact CB-O 3.26Å; A15-N73 WeakPolarHBondContact CB-O 3.42Å; V19-N73 HydrophobicContact CG2-CB 4.35Å; V19-N73 WeakPolarHBondContact CG2-ND2 3.48Å; Y69-N73 VanDerWaalsContact O-CB 3.31Å; Y69-N73 WeakPolarHBondContact O-CB 3.46Å; Y69-N73 PolarHBondContact O-N 2.77Å; Y69-N73 PolarHBondContact O-ND2 3.17Å; I70-N73 WeakPolarHBondContact O-CB 3.26Å; I70-N73 PolarHBondContact O-N 3.04Å; V71-N73 VanDerWaalsContact C-N 3.29Å; V71-N73 PolarHBondContact O-N 3.04Å; N73-L76 WeakPolarHBondContact O-CB 3.31Å; N73-L76 PolarHBondContact O-N 3.43Å; N73-Y77 PolarHBondContact O-N 2.84Å
74N85.3Confident85Confident65 Ų6577.7 Ų77.735%0.34840%0.403SS..Hα-helixtrans-68.4-41.4176.2-78.3-85.2000112.5S16 I70 V71 L76 Y77 F78S16-N74 PolarHBondContact OG-ND2 3.17Å; S16-N74 VanDerWaalsContact OG-ND2 3.1Å; S16-N74 PolarHBondContact OG-OD1 2.92Å; I70-N74 PolarHBondContact O-N 3.06Å; I70-N74 PolarHBondContact O-ND2 3.33Å; V71-N74 PolarHBondContact O-N 2.93Å; V71-N74 VanDerWaalsContact O-N 3.17Å; N74-L76 VanDerWaalsContact C-N 3.31Å; N74-L76 PolarHBondContact O-N 3.05Å; N74-Y77 WeakPolarHBondContact O-CB 3Å; N74-Y77 PolarHBondContact O-N 3.36Å; N74-F78 PolarHBondContact O-N 3.34Å
75L86.2Confident84.3Confident115 Ų11576 Ų7660%0.60240%0.404SS*.Hα-helixtrans-64-38.1174.6-95.765000111.8V71 Q72 F78 A79V71-L75 HydrophobicContact CG1-CD1 3.93Å; V71-L75 WeakPolarHBondContact O-CD1 2.81Å; V71-L75 PolarHBondContact O-N 3.38Å; Q72-L75 PolarHBondContact O-N 3.44Å; L75-F78 PolarHBondContact O-N 3.04Å; L75-A79 WeakPolarHBondContact O-CB 3.42Å; L75-A79 PolarHBondContact O-N 3.39Å
76L83.6Confident84Confident61 Ų6176 Ų7632%0.31940%0.402SS..Hα-helixtrans-60.8-48.3174.9-16887000110.4Q72 N73 N74 F78 A79 I80 Y88Q72-L76 VanDerWaalsContact O-CB 3.31Å; Q72-L76 WeakPolarHBondContact O-CB 3.47Å; Q72-L76 PolarHBondContact O-N 3.15Å; N73-L76 WeakPolarHBondContact O-CB 3.31Å; N73-L76 PolarHBondContact O-N 3.43Å; N74-L76 VanDerWaalsContact C-N 3.31Å; N74-L76 PolarHBondContact O-N 3.05Å; L76-F78 VanDerWaalsContact C-N 3.33Å; L76-F78 PolarHBondContact O-N 2.89Å; L76-A79 WeakPolarHBondContact O-CB 3.14Å; L76-A79 PolarHBondContact O-N 2.97Å; L76-I80 HydrophobicContact CD2-CD1 4.45Å; L76-I80 HydrophobicContact CG-CD1 4.32Å; L76-I80 WeakPolarHBondContact O-CG1 3.42Å; L76-I80 PolarHBondContact O-N 2.88Å; L76-Y88 HydrophobicContact CD1-CE2 3.67Å; L76-Y88 HydrophobicContact CG-CE2 4.15Å
77Y81.1Confident83.8Confident73 Ų7378.3 Ų78.329%0.28641%0.411SS..Hα-helixtrans-57.7-46.7177-179-86.7000111.6E11 L12 N73 N74 A79 I80 S81E11-Y77 WeakPolarHBondContact O-CE2 3.37Å; E11-Y77 PolarHBondContact O-OH 3.03Å; L12-Y77 WeakPolarHBondContact CD2-OH 3.33Å; N73-Y77 PolarHBondContact O-N 2.84Å; N74-Y77 WeakPolarHBondContact O-CB 3Å; N74-Y77 PolarHBondContact O-N 3.36Å; Y77-A79 VanDerWaalsContact C-N 3.25Å; Y77-A79 PolarHBondContact O-N 3.49Å; Y77-I80 PolarHBondContact O-N 3.45Å; Y77-S81 PolarHBondContact O-N 3.32Å; Y77-S81 VanDerWaalsContact O-N 3.15Å; Y77-S81 PolarHBondContact O-OG 2.99Å
78F82.6Confident83.6Confident125 Ų12577.8 Ų77.855%0.54840%0.401SS..Hα-helixtrans-60.2-36.1174.5-179-92.7000112.5N74 L75 L76 S81 H82N74-F78 PolarHBondContact O-N 3.34Å; L75-F78 PolarHBondContact O-N 3.04Å; L76-F78 VanDerWaalsContact C-N 3.33Å; L76-F78 PolarHBondContact O-N 2.89Å; F78-S81 PolarHBondContact O-OG 2.95Å; F78-S81 VanDerWaalsContact O-OG 3.04Å; F78-H82 AromaticContact CD2-CE1 3.44Å; F78-H82 VanDerWaalsContact CD2-CE1 3.44Å; F78-H82 WeakPolarHBondContact CD2-CE1 3.42Å; F78-H82 AromaticContact CD2-ND1 3.55Å; F78-H82 AromaticContact CE1-ND1 3.9Å; F78-H82 AromaticContact CE2-CE1 3.11Å; F78-H82 WeakPolarHBondContact CE2-CE1 3.39Å; F78-H82 AromaticContact CE2-ND1 3.42Å; F78-H82 WeakPolarHBondContact CE2-ND1 3.11Å; F78-H82 AromaticContact CE2-NE2 3.85Å; F78-H82 AromaticContact CG-ND1 3.85Å; F78-H82 AromaticContact CZ-CE1 3.63Å; F78-H82 AromaticContact CZ-ND1 3.6Å; F78-H82 PolarHBondContact O-N 3.44Å; F78-H82 PolarHBondContact O-ND1 3.12Å
79A83.3Confident83.1Confident21 Ų2175 Ų7517%0.17439%0.386CS..Hα-helixtrans-69-44.8179.300000111.8L75 L76 Y77 S81 H82 L83L75-A79 WeakPolarHBondContact O-CB 3.42Å; L75-A79 PolarHBondContact O-N 3.39Å; L76-A79 WeakPolarHBondContact O-CB 3.14Å; L76-A79 PolarHBondContact O-N 2.97Å; Y77-A79 VanDerWaalsContact C-N 3.25Å; Y77-A79 PolarHBondContact O-N 3.49Å; A79-S81 VanDerWaalsContact C-N 3.31Å; A79-S81 PolarHBondContact O-N 3.26Å; A79-H82 PolarHBondContact O-N 3.31Å; A79-L83 HydrophobicContact CB-CD1 4.19Å; A79-L83 WeakPolarHBondContact O-CA 3.42Å; A79-L83 WeakPolarHBondContact O-CB 3.26Å; A79-L83 VanDerWaalsContact O-CD1 3.23Å; A79-L83 WeakPolarHBondContact O-CD1 3.41Å; A79-L83 PolarHBondContact O-N 3.48Å
80I79.4Confident82.8Confident59 Ų5973 Ų7330%0.30338%0.384SS..Hα-helixtrans-65.4-38.4-179.9-52.9166.4000110.3E11 L76 Y77 H82 Y88E11-I80 VanDerWaalsContact CD-CG2 3.42Å; E11-I80 WeakPolarHBondContact OE1-CG2 3.4Å; E11-I80 VanDerWaalsContact OE2-C 3.24Å; E11-I80 WeakPolarHBondContact OE2-CB 3.41Å; E11-I80 WeakPolarHBondContact OE2-CG2 3.44Å; L76-I80 HydrophobicContact CD2-CD1 4.45Å; L76-I80 HydrophobicContact CG-CD1 4.32Å; L76-I80 WeakPolarHBondContact O-CG1 3.42Å; L76-I80 PolarHBondContact O-N 2.88Å; Y77-I80 PolarHBondContact O-N 3.45Å; I80-H82 VanDerWaalsContact C-N 3.29Å; I80-H82 PolarHBondContact O-N 3.04Å; I80-Y88 HydrophobicContact CD1-CE2 4.13Å; I80-Y88 HydrophobicContact CG1-CD2 3.8Å; I80-Y88 HydrophobicContact CG1-CE2 3.61Å
81S79.1Confident82.8Confident56 Ų5673.8 Ų73.839%0.39239%0.389SS..Hα-helixtrans-69.4-22.8-179.872.90000114.4E11 Y77 F78 A79E11-S81 PolarHBondContact OE2-N 2.85Å; Y77-S81 PolarHBondContact O-N 3.32Å; Y77-S81 VanDerWaalsContact O-N 3.15Å; Y77-S81 PolarHBondContact O-OG 2.99Å; F78-S81 PolarHBondContact O-OG 2.95Å; F78-S81 VanDerWaalsContact O-OG 3.04Å; A79-S81 VanDerWaalsContact C-N 3.31Å; A79-S81 PolarHBondContact O-N 3.26Å
82H80Confident82.5Confident126 Ų12675.6 Ų75.658%0.58339%0.388SS*.Hα-helixtrans-112.8-21.9-177.4-65.491000114F78 A79 I80F78-H82 AromaticContact CD2-CE1 3.44Å; F78-H82 VanDerWaalsContact CD2-CE1 3.44Å; F78-H82 WeakPolarHBondContact CD2-CE1 3.42Å; F78-H82 AromaticContact CD2-ND1 3.55Å; F78-H82 AromaticContact CE1-ND1 3.9Å; F78-H82 AromaticContact CE2-CE1 3.11Å; F78-H82 WeakPolarHBondContact CE2-CE1 3.39Å; F78-H82 AromaticContact CE2-ND1 3.42Å; F78-H82 WeakPolarHBondContact CE2-ND1 3.11Å; F78-H82 AromaticContact CE2-NE2 3.85Å; F78-H82 AromaticContact CG-ND1 3.85Å; F78-H82 AromaticContact CZ-CE1 3.63Å; F78-H82 AromaticContact CZ-ND1 3.6Å; F78-H82 PolarHBondContact O-N 3.44Å; F78-H82 PolarHBondContact O-ND1 3.12Å; A79-H82 PolarHBondContact O-N 3.31Å; I80-H82 VanDerWaalsContact C-N 3.29Å; I80-H82 PolarHBondContact O-N 3.04Å
83L81.2Confident82.3Confident52 Ų5273 Ų7327%0.27238%0.376SS..SBendtrans-105.9137.6-177.1-73.277.4000110.7A79 L87 L91A79-L83 HydrophobicContact CB-CD1 4.19Å; A79-L83 WeakPolarHBondContact O-CA 3.42Å; A79-L83 WeakPolarHBondContact O-CB 3.26Å; A79-L83 VanDerWaalsContact O-CD1 3.23Å; A79-L83 WeakPolarHBondContact O-CD1 3.41Å; A79-L83 PolarHBondContact O-N 3.48Å; L83-L87 HydrophobicContact CB-CB 4.3Å; L83-L87 HydrophobicContact CD2-CB 4.03Å; L83-L91 HydrophobicContact CD2-CD1 3.24Å
84N82.2Confident82.2Confident106 Ų10673.5 Ų73.557%0.56738%0.383SS*.  trans-58.3142.6167.5-178.3-30.8000109.9V86 L87 Y88N84-V86 PolarHBondContact O-N 2.75Å; N84-V86 PolarHBondContact OD1-N 3.01Å; N84-V86 VanDerWaalsContact OD1-N 3.1Å; N84-L87 PolarHBondContact O-N 3.29Å; N84-Y88 PolarHBondContact O-N 2.77Å; N84-Y88 VanDerWaalsContact O-N 3.13Å
85A78.3Confident82.2Confident62 Ų6274.8 Ų74.851%0.51239%0.385SS..Hα-helixtrans-42.3-35.9174.500000114.4Q89A85-Q89 PolarHBondContact O-N 3.33Å; A85-Q89 VanDerWaalsContact O-N 3.07Å
86V80.9Confident82Confident56 Ų5672.9 Ų72.934%0.33938%0.375SS..Hα-helixtrans-61.8-49.1175.9-179.90000112.1N84 Y88 Q89 I90 H134N84-V86 PolarHBondContact O-N 2.75Å; N84-V86 PolarHBondContact OD1-N 3.01Å; N84-V86 VanDerWaalsContact OD1-N 3.1Å; V86-Y88 VanDerWaalsContact C-N 3.34Å; V86-Q89 PolarHBondContact O-N 3.49Å; V86-I90 HydrophobicContact CG1-CD1 4.04Å; V86-I90 WeakPolarHBondContact O-CG1 3.37Å; V86-I90 PolarHBondContact O-N 3Å; V86-H134 WeakPolarHBondContact CG2-CE1 3.34Å; V86-H134 VanDerWaalsContact CG2-NE2 3.34Å; V86-H134 WeakPolarHBondContact CG2-NE2 3.31Å
87L84.4Confident82Confident94 Ų9474.6 Ų74.649%0.49238%0.38SS..Hα-helixtrans-68.1-38.2-178.9-66.8175.7000111L83 N84 Q89 I90 L91L83-L87 HydrophobicContact CB-CB 4.3Å; L83-L87 HydrophobicContact CD2-CB 4.03Å; N84-L87 PolarHBondContact O-N 3.29Å; L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-Q89 PolarHBondContact O-N 2.92Å; L87-I90 PolarHBondContact O-N 3.23Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 2.88Å
88Y82.7Confident82.2Confident57 Ų5774 Ų7422%0.22438%0.384CS..Hα-helixtrans-55.9-46.2173.6176.3-95.1000111.5L76 I80 N84 V86 I90 L91 Y92L76-Y88 HydrophobicContact CD1-CE2 3.67Å; L76-Y88 HydrophobicContact CG-CE2 4.15Å; I80-Y88 HydrophobicContact CD1-CE2 4.13Å; I80-Y88 HydrophobicContact CG1-CD2 3.8Å; I80-Y88 HydrophobicContact CG1-CE2 3.61Å; N84-Y88 PolarHBondContact O-N 2.77Å; N84-Y88 VanDerWaalsContact O-N 3.13Å; V86-Y88 VanDerWaalsContact C-N 3.34Å; Y88-I90 PolarHBondContact O-N 3.4Å; Y88-L91 PolarHBondContact O-N 3.26Å; Y88-Y92 WeakPolarHBondContact O-CB 3.42Å; Y88-Y92 PolarHBondContact O-N 3.04Å
89Q80.7Confident82.4Confident40 Ų4071.9 Ų71.919%0.18738%0.381CS..Hα-helixtrans-62.4-43.6179.9-156.275.4-35.300112.7A85 V86 L87 Y92 Q93 Q130A85-Q89 PolarHBondContact O-N 3.33Å; A85-Q89 VanDerWaalsContact O-N 3.07Å; V86-Q89 PolarHBondContact O-N 3.49Å; L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-Q89 PolarHBondContact O-N 2.92Å; Q89-Y92 PolarHBondContact O-N 2.88Å; Q89-Q93 WeakPolarHBondContact O-CG 3.41Å; Q89-Q93 PolarHBondContact O-N 3.44Å; Q89-Q93 VanDerWaalsContact O-N 3.15Å; Q89-Q130 HydrophobicContact CG-CB 3.81Å; Q89-Q130 HydrophobicContact CG-CG 4.33Å; Q89-Q130 PolarHBondContact NE2-O 3.38Å; Q89-Q130 VanDerWaalsContact NE2-OE1 3.09Å
90I82.2Confident82.4Confident103 Ų10371.6 Ų71.653%0.52838%0.379SS..Hα-helixtrans-64.4-44.1178.6-64.9165.8000110.2V86 L87 Y88 Q93 S94V86-I90 HydrophobicContact CG1-CD1 4.04Å; V86-I90 WeakPolarHBondContact O-CG1 3.37Å; V86-I90 PolarHBondContact O-N 3Å; L87-I90 PolarHBondContact O-N 3.23Å; Y88-I90 PolarHBondContact O-N 3.4Å; I90-Q93 PolarHBondContact O-N 3.46Å; I90-S94 PolarHBondContact O-N 2.77Å
91L86.1Confident82.6Confident90 Ų9071.9 Ų71.947%0.47138%0.38SS..Hα-helixtrans-65.2-37.1177.5-72.8171.6000112.7L83 L87 Y88 S94 K95L83-L91 HydrophobicContact CD2-CD1 3.24Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 2.88Å; Y88-L91 PolarHBondContact O-N 3.26Å; L91-S94 WeakPolarHBondContact CA-OG 3.2Å; L91-S94 PolarHBondContact O-N 3.25Å; L91-S94 PolarHBondContact O-OG 3.46Å; L91-K95 WeakPolarHBondContact O-CB 3.17Å; L91-K95 PolarHBondContact O-N 2.96Å
92Y83.8Confident82.9Confident111 Ų11175.7 Ų75.744%0.43539%0.39SS..Hα-helixtrans-64.4-42.8176.9-168.6-97.3000111.6Y88 Q89 K95 I96Y88-Y92 WeakPolarHBondContact O-CB 3.42Å; Y88-Y92 PolarHBondContact O-N 3.04Å; Q89-Y92 PolarHBondContact O-N 2.88Å; Y92-K95 WeakPolarHBondContact O-CB 3.44Å; Y92-K95 PolarHBondContact O-N 3.46Å; Y92-I96 PolarHBondContact O-N 2.87Å
93Q82Confident83.1Confident19 Ų1974.2 Ų74.29%0.08938%0.384CS..Hα-helixtrans-68.9-36.2176.3-65-54.591.700113.1Q89 I90 K95 I96 F97 I126 I127 Q130Q89-Q93 WeakPolarHBondContact O-CG 3.41Å; Q89-Q93 PolarHBondContact O-N 3.44Å; Q89-Q93 VanDerWaalsContact O-N 3.15Å; I90-Q93 PolarHBondContact O-N 3.46Å; Q93-K95 VanDerWaalsContact C-N 3.31Å; Q93-I96 WeakPolarHBondContact O-CG2 3.23Å; Q93-F97 PolarHBondContact O-N 3.45Å; Q93-I126 VanDerWaalsContact NE2-CG2 3.29Å; Q93-I127 HydrophobicContact CB-CG1 4.4Å; Q93-I127 HydrophobicContact CG-CG1 4.02Å; Q93-I127 VanDerWaalsContact NE2-N 3.15Å; Q93-Q130 VanDerWaalsContact CG-NE2 3.26Å
94S82Confident83.1Confident52 Ų5273.7 Ų73.736%0.36438%0.381SS..Hα-helixtrans-68.1-32.917474.90000111.6I90 L91 F97 T98I90-S94 PolarHBondContact O-N 2.77Å; L91-S94 WeakPolarHBondContact CA-OG 3.2Å; L91-S94 PolarHBondContact O-N 3.25Å; L91-S94 PolarHBondContact O-OG 3.46Å; S94-F97 WeakPolarHBondContact O-CB 3.19Å; S94-F97 PolarHBondContact O-N 3.46Å; S94-T98 WeakPolarHBondContact O-CG2 3.45Å; S94-T98 PolarHBondContact O-N 3.12Å; S94-T98 PolarHBondContact O-OG1 3.41Å
95K84.2Confident83.1Confident93 Ų9374.9 Ų74.940%0.40439%0.387SS..Hα-helixtrans-61.3-44.4177.8-172.5-178.2179.7-176.30113.1L91 Y92 Q93 F97 T98 T99L91-K95 WeakPolarHBondContact O-CB 3.17Å; L91-K95 PolarHBondContact O-N 2.96Å; Y92-K95 WeakPolarHBondContact O-CB 3.44Å; Y92-K95 PolarHBondContact O-N 3.46Å; Q93-K95 VanDerWaalsContact C-N 3.31Å; K95-F97 VanDerWaalsContact C-N 3.31Å; K95-T98 WeakPolarHBondContact CA-OG1 3.18Å; K95-T98 PolarHBondContact O-OG1 3.17Å; K95-T99 WeakPolarHBondContact O-CB 3.27Å; K95-T99 PolarHBondContact O-N 3.2Å; K95-T99 PolarHBondContact O-OG1 2.87Å
96I83.3Confident83.2Confident74 Ų7479 Ų7938%0.37940%0.4SS..Hα-helixtrans-66.4-38.2177.1-174.262.1000111Y92 Q93 T99 A100Y92-I96 PolarHBondContact O-N 2.87Å; Q93-I96 WeakPolarHBondContact O-CG2 3.23Å; I96-T99 PolarHBondContact O-N 3.39Å; I96-A100 PolarHBondContact O-N 3.44Å
97F82.8Confident83.1Confident98 Ų9881.7 Ų81.743%0.4341%0.411SS..Hα-helixtrans-65.4-45177.5-176.6-98.4000112.3Q93 S94 K95 A100 M101Q93-F97 PolarHBondContact O-N 3.45Å; S94-F97 WeakPolarHBondContact O-CB 3.19Å; S94-F97 PolarHBondContact O-N 3.46Å; K95-F97 VanDerWaalsContact C-N 3.31Å; F97-A100 PolarHBondContact O-N 3.45Å; F97-M101 HydrophobicContact CD1-CG 4.41Å; F97-M101 HydrophobicContact CE1-CE 4.27Å; F97-M101 HydrophobicContact CE1-CG 4.02Å; F97-M101 HydrophobicContact CE2-CE 4.15Å; F97-M101 HydrophobicContact CZ-CE 3.64Å; F97-M101 HydrophobicContact CZ-CG 4.26Å; F97-M101 PolarHBondContact O-N 2.92Å
98T85.7Confident82.3Confident61 Ų6182.9 Ų82.937%0.37442%0.418SS..Hα-helixtrans-65.4-40.117753.80000111.2S94 K95 A100 M101 F102S94-T98 WeakPolarHBondContact O-CG2 3.45Å; S94-T98 PolarHBondContact O-N 3.12Å; S94-T98 PolarHBondContact O-OG1 3.41Å; K95-T98 WeakPolarHBondContact CA-OG1 3.18Å; K95-T98 PolarHBondContact O-OG1 3.17Å; T98-A100 VanDerWaalsContact C-N 3.3Å; T98-A100 PolarHBondContact O-N 2.83Å; T98-M101 PolarHBondContact O-N 2.9Å; T98-M101 VanDerWaalsContact O-N 3.15Å; T98-F102 WeakPolarHBondContact O-CB 3.35Å; T98-F102 WeakPolarHBondContact O-CD2 3.34Å; T98-F102 PolarHBondContact O-N 3.27Å
99T86Confident81.7Confident79 Ų7984.3 Ų84.349%0.48543%0.427SS..Hα-helixtrans-58.8-42.4175.2-54.10000111.5K95 I96 F102 M103K95-T99 WeakPolarHBondContact O-CB 3.27Å; K95-T99 PolarHBondContact O-N 3.2Å; K95-T99 PolarHBondContact O-OG1 2.87Å; I96-T99 PolarHBondContact O-N 3.39Å; T99-F102 PolarHBondContact O-N 2.96Å; T99-M103 WeakPolarHBondContact O-CB 3.42Å; T99-M103 PolarHBondContact O-N 3.23Å
100A83.5Confident80.9Confident16 Ų1690.4 Ų90.413%0.13246%0.455CS..Hα-helixtrans-64.1-42.8175.100000112.2I96 F97 T98 M103 I104 L119I96-A100 PolarHBondContact O-N 3.44Å; F97-A100 PolarHBondContact O-N 3.45Å; T98-A100 VanDerWaalsContact C-N 3.3Å; T98-A100 PolarHBondContact O-N 2.83Å; A100-M103 PolarHBondContact O-N 3.41Å; A100-I104 WeakPolarHBondContact O-CG1 3.38Å; A100-I104 PolarHBondContact O-N 3.21Å; A100-L119 HydrophobicContact CB-CD1 3.87Å; A100-L119 HydrophobicContact CB-CD2 3.77Å; A100-L119 HydrophobicContact CB-CG 4.46Å
101M83.1Confident80Confident65 Ų6586.9 Ų86.932%0.3244%0.437SS..Hα-helixtrans-63.4-45.8175.8-78.2-68.8167.100112.4F97 T98 M103 I104 L105 W116F97-M101 HydrophobicContact CD1-CG 4.41Å; F97-M101 HydrophobicContact CE1-CE 4.27Å; F97-M101 HydrophobicContact CE1-CG 4.02Å; F97-M101 HydrophobicContact CE2-CE 4.15Å; F97-M101 HydrophobicContact CZ-CE 3.64Å; F97-M101 HydrophobicContact CZ-CG 4.26Å; F97-M101 PolarHBondContact O-N 2.92Å; T98-M101 PolarHBondContact O-N 2.9Å; T98-M101 VanDerWaalsContact O-N 3.15Å; M101-M103 VanDerWaalsContact C-N 3.31Å; M101-M103 PolarHBondContact O-N 3.49Å; M101-I104 PolarHBondContact O-N 3.02Å; M101-L105 WeakPolarHBondContact O-CG 3.49Å; M101-L105 PolarHBondContact O-N 3.46Å; M101-W116 HydrophobicContact CE-CH2 3.68Å; M101-W116 HydrophobicContact CE-CZ2 4.27Å
102F85.6Confident79.2Confident136 Ų13691.5 Ų91.560%0.59645%0.448SS*.Hα-helixtrans-62.4-37175.9-85.9-72.7000112.1T98 T99 L105 L106T98-F102 WeakPolarHBondContact O-CB 3.35Å; T98-F102 WeakPolarHBondContact O-CD2 3.34Å; T98-F102 PolarHBondContact O-N 3.27Å; T99-F102 PolarHBondContact O-N 2.96Å; F102-L105 PolarHBondContact O-N 3.3Å; F102-L106 WeakPolarHBondContact O-CB 3.3Å; F102-L106 PolarHBondContact O-N 3.07Å
103M83.3Confident78.6Confident94 Ų9491 Ų9146%0.46346%0.461SS..Hα-helixtrans-61.4-44175.4-175-177.4-176.300111.9T99 A100 M101 L107T99-M103 WeakPolarHBondContact O-CB 3.42Å; T99-M103 PolarHBondContact O-N 3.23Å; A100-M103 PolarHBondContact O-N 3.41Å; M101-M103 VanDerWaalsContact C-N 3.31Å; M101-M103 PolarHBondContact O-N 3.49Å; M103-L107 VanDerWaalsContact O-CB 3.26Å; M103-L107 WeakPolarHBondContact O-CB 3.44Å; M103-L107 PolarHBondContact O-N 3.36Å; M103-L107 VanDerWaalsContact O-N 3.12Å
104I82.5Confident78.5Confident41 Ų4194 Ų9421%0.2148%0.481CS..Hα-helixtrans-66.8-43.3177.9-63.1166.1000110.6A100 M101 N108 L111 W116A100-I104 WeakPolarHBondContact O-CG1 3.38Å; A100-I104 PolarHBondContact O-N 3.21Å; M101-I104 PolarHBondContact O-N 3.02Å; I104-N108 WeakPolarHBondContact O-CA 3.39Å; I104-N108 PolarHBondContact O-N 2.68Å; I104-L111 HydrophobicContact CD1-CD1 4.07Å; I104-L111 HydrophobicContact CG1-CD1 3.81Å; I104-L111 HydrophobicContact CG1-CG 4.46Å; I104-W116 HydrophobicContact CD1-CZ2 3.65Å
105L82.7Confident78.3Confident132 Ų13295.6 Ų95.669%0.69148%0.483SS*.Hα-helixtrans-70.6-46-178-70.6170.8000113.2M101 F102M101-L105 WeakPolarHBondContact O-CG 3.49Å; M101-L105 PolarHBondContact O-N 3.46Å; F102-L105 PolarHBondContact O-N 3.3Å
106L80.1Confident78.1Confident149 Ų14995.6 Ų95.678%0.7848%0.48SS*.Hα-helixtrans-80.5-46.1-172.9-168.3159.6000111.8F102 N108F102-L106 WeakPolarHBondContact O-CB 3.3Å; F102-L106 PolarHBondContact O-N 3.07Å; L106-N108 VanDerWaalsContact C-N 3.27Å
107L77.7Confident78Confident111 Ų11198.6 Ų98.658%0.58149%0.491SS*.Hα-helixtrans-82.8-10-179.1-160.960.1000112.1M103 H109M103-L107 VanDerWaalsContact O-CB 3.26Å; M103-L107 WeakPolarHBondContact O-CB 3.44Å; M103-L107 PolarHBondContact O-N 3.36Å; M103-L107 VanDerWaalsContact O-N 3.12Å; L107-H109 HydrophobicContact CB-CB 4.12Å; L107-H109 HydrophobicContact CD2-CB 3.99Å; L107-H109 HydrophobicContact CG-CB 3.99Å; L107-H109 PolarHBondContact O-N 2.95Å
108N68.1Low78.1Confident120 Ų12097.4 Ų97.464%0.64249%0.494SS*.  trans46.627.3-171.4-140.7-11.3000112.5I104 L106 H110I104-N108 WeakPolarHBondContact O-CA 3.39Å; I104-N108 PolarHBondContact O-N 2.68Å; L106-N108 VanDerWaalsContact C-N 3.27Å; N108-H110 PolarHBondContact O-N 3.47Å
109H70Confident77.9Confident87 Ų8797.2 Ų97.240%0.40349%0.491SS..  trans-81.6107.6-175.4-175.4-80.8000107.1L107 L111L107-H109 HydrophobicContact CB-CB 4.12Å; L107-H109 HydrophobicContact CD2-CB 3.99Å; L107-H109 HydrophobicContact CG-CB 3.99Å; L107-H109 PolarHBondContact O-N 2.95Å; H109-L111 VanDerWaalsContact C-N 3.3Å; H109-L111 PolarHBondContact O-N 2.95Å
110H63.3Low77.8Confident167 Ų16797.1 Ų97.177%0.77349%0.487SS*.  trans-64.991.6173.8-73.6-73.3000109.6N108 R112N108-H110 PolarHBondContact O-N 3.47Å; H110-R112 PolarHBondContact O-N 3.44Å
111L65.1Low78Confident30 Ų30101.4 Ų101.416%0.15751%0.507CS..  trans-60124.2169-69.6171.2000108.1I104 H109 Q115I104-L111 HydrophobicContact CD1-CD1 4.07Å; I104-L111 HydrophobicContact CG1-CD1 3.81Å; I104-L111 HydrophobicContact CG1-CG 4.46Å; H109-L111 VanDerWaalsContact C-N 3.3Å; H109-L111 PolarHBondContact O-N 2.95Å; L111-Q115 VanDerWaalsContact CA-OE1 3.27Å; L111-Q115 HydrophobicContact CB-CB 4.22Å; L111-Q115 HydrophobicContact CD2-CB 4.29Å; L111-Q115 VanDerWaalsContact CD2-OE1 3.25Å
112R68.7Low78Confident186 Ų186103.5 Ų103.570%0.70252%0.519SS*.  trans-56.1145176.8-155.2174.3-153.1-114.12.8108.5H110 T114 Q115 W116H110-R112 PolarHBondContact O-N 3.44Å; R112-T114 PolarHBondContact O-N 3.33Å; R112-Q115 HydrophobicContact CB-CG 4.4Å; R112-Q115 WeakPolarHBondContact O-CA 3.45Å; R112-Q115 WeakPolarHBondContact O-CB 3.45Å; R112-Q115 PolarHBondContact O-N 3.37Å; R112-W116 PolarHBondContact O-N 2.91Å
113S71.1Confident77.9Confident102 Ų10297.8 Ų97.871%0.71350%0.496SS*.Hα-helixtrans-53-29.1-178.3-172.80000113.2W116 F117S113-W116 VanDerWaalsContact O-CB 3.28Å; S113-W116 WeakPolarHBondContact O-CB 3.18Å; S113-W116 PolarHBondContact O-N 3.06Å; S113-F117 PolarHBondContact O-N 3.29Å
114T79Confident78Confident81 Ų8196.7 Ų96.750%0.49749%0.494SS..Hα-helixtrans-65.5-35.7172.153.80000114.2R112 F117 S118R112-T114 PolarHBondContact O-N 3.33Å; T114-F117 PolarHBondContact O-N 2.99Å; T114-S118 PolarHBondContact O-N 3.36Å; T114-S118 PolarHBondContact O-OG 3.18Å
115Q78.2Confident78.1Confident86 Ų8696.3 Ų96.340%0.40250%0.501SS..Hα-helixtrans-71-37174.2-66.6173.8-36.500110.6L111 R112 S118 L119L111-Q115 VanDerWaalsContact CA-OE1 3.27Å; L111-Q115 HydrophobicContact CB-CB 4.22Å; L111-Q115 HydrophobicContact CD2-CB 4.29Å; L111-Q115 VanDerWaalsContact CD2-OE1 3.25Å; R112-Q115 HydrophobicContact CB-CG 4.4Å; R112-Q115 WeakPolarHBondContact O-CA 3.45Å; R112-Q115 WeakPolarHBondContact O-CB 3.45Å; R112-Q115 PolarHBondContact O-N 3.37Å; Q115-S118 WeakPolarHBondContact O-CB 3.37Å; Q115-S118 PolarHBondContact O-N 3.42Å; Q115-L119 WeakPolarHBondContact O-CB 3.17Å; Q115-L119 PolarHBondContact O-N 3.39Å
116W80.8Confident78.1Confident92 Ų9292.2 Ų92.235%0.34848%0.479SS..Hα-helixtrans-57.6-47.9170.3-103.691.8000111.9M101 I104 R112 S113 S118 L119 L120M101-W116 HydrophobicContact CE-CH2 3.68Å; M101-W116 HydrophobicContact CE-CZ2 4.27Å; I104-W116 HydrophobicContact CD1-CZ2 3.65Å; R112-W116 PolarHBondContact O-N 2.91Å; S113-W116 VanDerWaalsContact O-CB 3.28Å; S113-W116 WeakPolarHBondContact O-CB 3.18Å; S113-W116 PolarHBondContact O-N 3.06Å; W116-S118 VanDerWaalsContact C-N 3.32Å; W116-S118 PolarHBondContact O-N 2.94Å; W116-L119 PolarHBondContact O-N 2.97Å; W116-L120 HydrophobicContact CE3-CD1 4.01Å; W116-L120 HydrophobicContact CE3-CG 4.11Å; W116-L120 HydrophobicContact CZ3-CD1 4.45Å; W116-L120 HydrophobicContact CZ3-CD2 4.42Å; W116-L120 HydrophobicContact CZ3-CG 4.48Å; W116-L120 WeakPolarHBondContact O-CB 3.42Å; W116-L120 WeakPolarHBondContact O-CG 3.2Å; W116-L120 PolarHBondContact O-N 3.26Å
117F80.8Confident78.2Confident138 Ų13888.7 Ų88.761%0.60546%0.46SS*.Hα-helixtrans-60.4-43.6175.9-173.9-99.8000111.7S113 T114 L119 L120 L121S113-F117 PolarHBondContact O-N 3.29Å; T114-F117 PolarHBondContact O-N 2.99Å; F117-L119 VanDerWaalsContact C-N 3.3Å; F117-L119 PolarHBondContact O-N 3.18Å; F117-L120 PolarHBondContact O-N 3.38Å; F117-L121 HydrophobicContact CE1-CD2 4.28Å; F117-L121 WeakPolarHBondContact O-CB 3.25Å; F117-L121 PolarHBondContact O-N 3.43Å
118S84.5Confident78.6Confident72 Ų7289 Ų8950%0.50346%0.462SS..Hα-helixtrans-60.6-41.1177.1-55.70000111.8T114 Q115 W116 L121 L122T114-S118 PolarHBondContact O-N 3.36Å; T114-S118 PolarHBondContact O-OG 3.18Å; Q115-S118 WeakPolarHBondContact O-CB 3.37Å; Q115-S118 PolarHBondContact O-N 3.42Å; W116-S118 VanDerWaalsContact C-N 3.32Å; W116-S118 PolarHBondContact O-N 2.94Å; S118-L121 PolarHBondContact O-N 3.15Å; S118-L122 VanDerWaalsContact O-CB 3.27Å; S118-L122 WeakPolarHBondContact O-CB 3.33Å; S118-L122 PolarHBondContact O-N 2.99Å
119L82.5Confident79.2Confident58 Ų5886.9 Ų86.930%0.30445%0.453SS..Hα-helixtrans-71.5-41.8-179.4-160.8149.7000111.8A100 Q115 W116 F117 L122 S123A100-L119 HydrophobicContact CB-CD1 3.87Å; A100-L119 HydrophobicContact CB-CD2 3.77Å; A100-L119 HydrophobicContact CB-CG 4.46Å; Q115-L119 WeakPolarHBondContact O-CB 3.17Å; Q115-L119 PolarHBondContact O-N 3.39Å; W116-L119 PolarHBondContact O-N 2.97Å; F117-L119 VanDerWaalsContact C-N 3.3Å; F117-L119 PolarHBondContact O-N 3.18Å; L119-L122 PolarHBondContact O-N 3.48Å; L119-S123 VanDerWaalsContact O-CB 3.3Å; L119-S123 WeakPolarHBondContact O-CB 3.15Å; L119-S123 PolarHBondContact O-N 3.02Å
120L83.5Confident79.7Confident77 Ų7783.9 Ų83.940%0.40344%0.439SS..Hα-helixtrans-63.9-42.6173-73.5175.1000111.6W116 F117 S123 T124W116-L120 HydrophobicContact CE3-CD1 4.01Å; W116-L120 HydrophobicContact CE3-CG 4.11Å; W116-L120 HydrophobicContact CZ3-CD1 4.45Å; W116-L120 HydrophobicContact CZ3-CD2 4.42Å; W116-L120 HydrophobicContact CZ3-CG 4.48Å; W116-L120 WeakPolarHBondContact O-CB 3.42Å; W116-L120 WeakPolarHBondContact O-CG 3.2Å; W116-L120 PolarHBondContact O-N 3.26Å; F117-L120 PolarHBondContact O-N 3.38Å; L120-S123 PolarHBondContact O-N 3.24Å; L120-T124 VanDerWaalsContact O-CB 3.29Å; L120-T124 WeakPolarHBondContact O-CB 3.29Å; L120-T124 PolarHBondContact O-N 2.98Å; L120-T124 PolarHBondContact O-OG1 3.01Å
121L86.8Confident80.3Confident105 Ų10579.4 Ų79.455%0.5542%0.424SS..Hα-helixtrans-62.5-44.9177.2-173.969.2000110.9F117 S118 T124 G125F117-L121 HydrophobicContact CE1-CD2 4.28Å; F117-L121 WeakPolarHBondContact O-CB 3.25Å; F117-L121 PolarHBondContact O-N 3.43Å; S118-L121 PolarHBondContact O-N 3.15Å; L121-T124 PolarHBondContact O-N 3.4Å; L121-G125 PolarHBondContact O-N 3.5Å
122L83.9Confident81.1Confident109 Ų10981.4 Ų81.457%0.57144%0.44SS*.Hα-helixtrans-63.5-48.4177.2-158.6167.3000110.7S118 L119 T124 G125 I126S118-L122 VanDerWaalsContact O-CB 3.27Å; S118-L122 WeakPolarHBondContact O-CB 3.33Å; S118-L122 PolarHBondContact O-N 2.99Å; L119-L122 PolarHBondContact O-N 3.48Å; L122-T124 PolarHBondContact O-N 3.06Å; L122-G125 PolarHBondContact O-N 3.39Å; L122-I126 HydrophobicContact CD2-CD1 3.37Å; L122-I126 HydrophobicContact CD2-CG1 3.96Å; L122-I126 WeakPolarHBondContact O-CG1 3.45Å; L122-I126 PolarHBondContact O-N 2.99Å
123S83.1Confident81.5Confident16 Ų1678.1 Ų78.111%0.11243%0.433CS..Hα-helixtrans-57.9-48.5176.3-176.60000111.7L119 L120 G125 I126 I127L119-S123 VanDerWaalsContact O-CB 3.3Å; L119-S123 WeakPolarHBondContact O-CB 3.15Å; L119-S123 PolarHBondContact O-N 3.02Å; L120-S123 PolarHBondContact O-N 3.24Å; S123-G125 VanDerWaalsContact C-N 3.32Å; S123-G125 PolarHBondContact O-N 3.44Å; S123-I126 PolarHBondContact O-N 3.35Å; S123-I127 WeakPolarHBondContact O-CG1 3.41Å; S123-I127 PolarHBondContact O-N 3.46Å
124T85.4Confident81.7Confident71 Ų7175.9 Ų75.944%0.43641%0.411SS..Hα-helixtrans-59.7-43176.8-55.70000111.3L120 L121 L122 I126 I127 L128L120-T124 VanDerWaalsContact O-CB 3.29Å; L120-T124 WeakPolarHBondContact O-CB 3.29Å; L120-T124 PolarHBondContact O-N 2.98Å; L120-T124 PolarHBondContact O-OG1 3.01Å; L121-T124 PolarHBondContact O-N 3.4Å; L122-T124 PolarHBondContact O-N 3.06Å; T124-I126 PolarHBondContact O-N 3.03Å; T124-I127 PolarHBondContact O-N 3.49Å; T124-L128 HydrophobicContact CG2-CD1 4.08Å; T124-L128 HydrophobicContact CG2-CG 4.4Å; T124-L128 WeakPolarHBondContact O-CG 3.5Å; T124-L128 PolarHBondContact O-N 3.18Å
125G85.1Confident81.5Confident33 Ų3380.7 Ų80.734%0.3442%0.42SS..Hα-helixtrans-57.7-45.8175.200000112.3L121 L122 S123 L128 T129L121-G125 PolarHBondContact O-N 3.5Å; L122-G125 PolarHBondContact O-N 3.39Å; S123-G125 VanDerWaalsContact C-N 3.32Å; S123-G125 PolarHBondContact O-N 3.44Å; G125-L128 PolarHBondContact O-N 2.81Å; G125-T129 WeakPolarHBondContact O-CG2 3.48Å; G125-T129 PolarHBondContact O-N 3.43Å; G125-T129 VanDerWaalsContact O-N 3.12Å; G125-T129 PolarHBondContact O-OG1 3.5Å
126I82.9Confident81.5Confident46 Ų4678.7 Ų78.724%0.23642%0.418CS..Hα-helixtrans-65-43.6175.7-57.5164.4000110.5Q93 L122 S123 T124 L128 T129 Q130Q93-I126 VanDerWaalsContact NE2-CG2 3.29Å; L122-I126 HydrophobicContact CD2-CD1 3.37Å; L122-I126 HydrophobicContact CD2-CG1 3.96Å; L122-I126 WeakPolarHBondContact O-CG1 3.45Å; L122-I126 PolarHBondContact O-N 2.99Å; S123-I126 PolarHBondContact O-N 3.35Å; T124-I126 PolarHBondContact O-N 3.03Å; I126-L128 VanDerWaalsContact C-N 3.32Å; I126-L128 PolarHBondContact O-N 3.04Å; I126-T129 PolarHBondContact O-N 3.44Å; I126-T129 PolarHBondContact O-OG1 3.15Å; I126-Q130 HydrophobicContact CG2-CG 4.03Å; I126-Q130 WeakPolarHBondContact O-CB 3.38Å; I126-Q130 WeakPolarHBondContact O-CG 3.21Å; I126-Q130 PolarHBondContact O-N 3.44Å
127I82.3Confident81.1Confident76 Ų7678.2 Ų78.239%0.3943%0.425SS..Hα-helixtrans-59.4-45.8179.3-62.8171000110.4Q93 S123 T124 Q130 V131Q93-I127 HydrophobicContact CB-CG1 4.4Å; Q93-I127 HydrophobicContact CG-CG1 4.02Å; Q93-I127 VanDerWaalsContact NE2-N 3.15Å; S123-I127 WeakPolarHBondContact O-CG1 3.41Å; S123-I127 PolarHBondContact O-N 3.46Å; T124-I127 PolarHBondContact O-N 3.49Å; I127-Q130 PolarHBondContact O-N 3.15Å; I127-V131 HydrophobicContact CG2-CG2 4.34Å; I127-V131 WeakPolarHBondContact O-CG2 3.42Å; I127-V131 PolarHBondContact O-N 3.25Å
128L84.6Confident80.8Confident118 Ų11874.4 Ų74.462%0.61841%0.411SS*.Hα-helixtrans-62.6-46.6-178.7-74.8172.2000112.3T124 G125 I126 Q130 V131 S132T124-L128 HydrophobicContact CG2-CD1 4.08Å; T124-L128 HydrophobicContact CG2-CG 4.4Å; T124-L128 WeakPolarHBondContact O-CG 3.5Å; T124-L128 PolarHBondContact O-N 3.18Å; G125-L128 PolarHBondContact O-N 2.81Å; I126-L128 VanDerWaalsContact C-N 3.32Å; I126-L128 PolarHBondContact O-N 3.04Å; L128-Q130 VanDerWaalsContact C-N 3.29Å; L128-Q130 PolarHBondContact O-N 3.38Å; L128-V131 PolarHBondContact O-N 3.41Å; L128-S132 PolarHBondContact O-N 2.93Å; L128-S132 VanDerWaalsContact O-N 3.07Å; L128-S132 PolarHBondContact O-OG 3.41Å
129T81.9Confident80.3Confident74 Ų7474 Ų7445%0.45441%0.408SS..Hα-helixtrans-63.9-40.1178.156.70000110.9G125 I126 S132 Q133G125-T129 WeakPolarHBondContact O-CG2 3.48Å; G125-T129 PolarHBondContact O-N 3.43Å; G125-T129 VanDerWaalsContact O-N 3.12Å; G125-T129 PolarHBondContact O-OG1 3.5Å; I126-T129 PolarHBondContact O-N 3.44Å; I126-T129 PolarHBondContact O-OG1 3.15Å; T129-S132 PolarHBondContact O-N 3.16Å; T129-S132 PolarHBondContact O-OG 2.96Å; T129-Q133 WeakPolarHBondContact O-CG 3.35Å; T129-Q133 PolarHBondContact O-N 3.48Å
130Q80.1Confident79.6Confident24 Ų2476.4 Ų76.411%0.11242%0.42CS..Hα-helixtrans-67.2-39-179.9-77.2-146.2130.400113.9Q89 Q93 I126 I127 L128 H134Q89-Q130 HydrophobicContact CG-CB 3.81Å; Q89-Q130 HydrophobicContact CG-CG 4.33Å; Q89-Q130 PolarHBondContact NE2-O 3.38Å; Q89-Q130 VanDerWaalsContact NE2-OE1 3.09Å; Q93-Q130 VanDerWaalsContact CG-NE2 3.26Å; I126-Q130 HydrophobicContact CG2-CG 4.03Å; I126-Q130 WeakPolarHBondContact O-CB 3.38Å; I126-Q130 WeakPolarHBondContact O-CG 3.21Å; I126-Q130 PolarHBondContact O-N 3.44Å; I127-Q130 PolarHBondContact O-N 3.15Å; L128-Q130 VanDerWaalsContact C-N 3.29Å; L128-Q130 PolarHBondContact O-N 3.38Å; Q130-H134 PolarHBondContact O-N 2.82Å; Q130-H134 VanDerWaalsContact O-N 3.15Å
131V77Confident79Confident74 Ų7477.6 Ų77.645%0.44842%0.424SS..Hα-helixtrans-67.5-40.8173.2171.30000111.1I127 L128 Q133 H134 R135I127-V131 HydrophobicContact CG2-CG2 4.34Å; I127-V131 WeakPolarHBondContact O-CG2 3.42Å; I127-V131 PolarHBondContact O-N 3.25Å; L128-V131 PolarHBondContact O-N 3.41Å; V131-Q133 PolarHBondContact O-N 2.8Å; V131-H134 PolarHBondContact O-N 3.39Å; V131-R135 HydrophobicContact CG1-CG 4.47Å; V131-R135 WeakPolarHBondContact O-CG 3.49Å; V131-R135 PolarHBondContact O-N 3.27Å
132S80.4Confident78.2Confident71 Ų7178.8 Ų78.850%0.49743%0.43SS..Hα-helixtrans-63.4-41.4179.572.40000112.3L128 T129 R135 A136L128-S132 PolarHBondContact O-N 2.93Å; L128-S132 VanDerWaalsContact O-N 3.07Å; L128-S132 PolarHBondContact O-OG 3.41Å; T129-S132 PolarHBondContact O-N 3.16Å; T129-S132 PolarHBondContact O-OG 2.96Å; S132-R135 PolarHBondContact O-N 2.85Å; S132-A136 WeakPolarHBondContact O-CB 3.38Å; S132-A136 PolarHBondContact O-N 3.29Å
133Q78.5Confident77.3Confident117 Ų11779.3 Ų79.355%0.54744%0.441SS..Hα-helixtrans-64.1-45.9175.5-74.2177.1-11.800111.6T129 V131 R135 A136 V137T129-Q133 WeakPolarHBondContact O-CG 3.35Å; T129-Q133 PolarHBondContact O-N 3.48Å; V131-Q133 PolarHBondContact O-N 2.8Å; Q133-R135 VanDerWaalsContact C-N 3.34Å; Q133-R135 PolarHBondContact O-N 3.14Å; Q133-A136 PolarHBondContact O-N 3.46Å; Q133-V137 WeakPolarHBondContact O-CG2 3.33Å; Q133-V137 PolarHBondContact O-N 2.96Å
134H74.5Confident76.6Confident56 Ų5685.6 Ų85.626%0.25947%0.47SS..Hα-helixtrans-62.1-41.1177.8-174.163.9000112.1V86 Q130 V131 V137 N138V86-H134 WeakPolarHBondContact CG2-CE1 3.34Å; V86-H134 VanDerWaalsContact CG2-NE2 3.34Å; V86-H134 WeakPolarHBondContact CG2-NE2 3.31Å; Q130-H134 PolarHBondContact O-N 2.82Å; Q130-H134 VanDerWaalsContact O-N 3.15Å; V131-H134 PolarHBondContact O-N 3.39Å; H134-V137 PolarHBondContact O-N 3.1Å; H134-N138 PolarHBondContact CD2-ND2 3.12Å; H134-N138 PolarHBondContact CE1-OD1 3.41Å; H134-N138 PolarHBondContact NE2-ND2 3.49Å; H134-N138 VanDerWaalsContact O-CG 3.3Å; H134-N138 PolarHBondContact O-N 2.98Å; H134-N138 PolarHBondContact O-OD1 3.31Å
135R75.6Confident74.7Confident181 Ų18185.5 Ų85.568%0.68348%0.483SS*.Hα-helixtrans-63.8-41.2174.2-72-151.7-156.8-136.19.7112.8V131 S132 Q133 N138 S139V131-R135 HydrophobicContact CG1-CG 4.47Å; V131-R135 WeakPolarHBondContact O-CG 3.49Å; V131-R135 PolarHBondContact O-N 3.27Å; S132-R135 PolarHBondContact O-N 2.85Å; Q133-R135 VanDerWaalsContact C-N 3.34Å; Q133-R135 PolarHBondContact O-N 3.14Å; R135-N138 PolarHBondContact O-N 3.31Å; R135-S139 WeakPolarHBondContact O-CB 3.48Å; R135-S139 PolarHBondContact O-N 3.13Å; R135-S139 PolarHBondContact O-OG 3.31Å
136A77Confident72.8Confident45 Ų4595.7 Ų95.737%0.37251%0.513SS..Hα-helixtrans-63.2-41.4179.100000111.9S132 Q133 S139 I140S132-A136 WeakPolarHBondContact O-CB 3.38Å; S132-A136 PolarHBondContact O-N 3.29Å; Q133-A136 PolarHBondContact O-N 3.46Å; A136-S139 WeakPolarHBondContact CA-OG 3.28Å; A136-S139 PolarHBondContact O-N 2.88Å; A136-S139 PolarHBondContact O-OG 2.95Å; A136-I140 WeakPolarHBondContact O-CD1 3.39Å; A136-I140 WeakPolarHBondContact O-CG1 3.46Å; A136-I140 PolarHBondContact O-N 3.45Å
137V73.2Confident72.3Confident81 Ų8198.2 Ų98.249%0.49153%0.527SS..Hα-helixtrans-63.7-47.7174.5175.80000110.7Q133 H134 S139 I140 Q141Q133-V137 WeakPolarHBondContact O-CG2 3.33Å; Q133-V137 PolarHBondContact O-N 2.96Å; H134-V137 PolarHBondContact O-N 3.1Å; V137-S139 VanDerWaalsContact C-N 3.32Å; V137-S139 PolarHBondContact O-N 3.2Å; V137-I140 PolarHBondContact O-N 3.31Å; V137-Q141 PolarHBondContact O-N 3.41Å
138N74.2Confident71.7Confident59 Ų5999.3 Ų99.332%0.31653%0.534SS..Hα-helixtrans-62.3-38.8177.8-68.5-1.7000111.9H134 R135 I140 Q141 I142H134-N138 PolarHBondContact CD2-ND2 3.12Å; H134-N138 PolarHBondContact CE1-OD1 3.41Å; H134-N138 PolarHBondContact NE2-ND2 3.49Å; H134-N138 VanDerWaalsContact O-CG 3.3Å; H134-N138 PolarHBondContact O-N 2.98Å; H134-N138 PolarHBondContact O-OD1 3.31Å; R135-N138 PolarHBondContact O-N 3.31Å; N138-I140 VanDerWaalsContact C-N 3.33Å; N138-I140 PolarHBondContact O-N 2.96Å; N138-Q141 PolarHBondContact O-N 3Å; N138-I142 VanDerWaalsContact O-CG1 3.29Å; N138-I142 WeakPolarHBondContact O-CG1 3.46Å; N138-I142 PolarHBondContact O-N 3.07Å
139S73.8Confident71Confident62 Ų6298.3 Ų98.343%0.43453%0.529SS..Hα-helixtrans-67.9-33.8177.366.20000112.2R135 A136 V137 I142 C143R135-S139 WeakPolarHBondContact O-CB 3.48Å; R135-S139 PolarHBondContact O-N 3.13Å; R135-S139 PolarHBondContact O-OG 3.31Å; A136-S139 WeakPolarHBondContact CA-OG 3.28Å; A136-S139 PolarHBondContact O-N 2.88Å; A136-S139 PolarHBondContact O-OG 2.95Å; V137-S139 VanDerWaalsContact C-N 3.32Å; V137-S139 PolarHBondContact O-N 3.2Å; S139-I142 PolarHBondContact O-N 2.89Å; S139-C143 PolarHBondContact O-N 3.18Å
140I68.6Low70.4Confident109 Ų10999.7 Ų99.756%0.55953%0.534SS*.Hα-helixtrans-65.4-42.1171.7-68.2161.6000110.5A136 V137 N138 C143 M144A136-I140 WeakPolarHBondContact O-CD1 3.39Å; A136-I140 WeakPolarHBondContact O-CG1 3.46Å; A136-I140 PolarHBondContact O-N 3.45Å; V137-I140 PolarHBondContact O-N 3.31Å; N138-I140 VanDerWaalsContact C-N 3.33Å; N138-I140 PolarHBondContact O-N 2.96Å; I140-C143 PolarHBondContact O-N 2.96Å; I140-M144 HydrophobicContact CG2-CG 4.4Å; I140-M144 WeakPolarHBondContact O-CB 3.37Å; I140-M144 VanDerWaalsContact O-CG 3.25Å; I140-M144 WeakPolarHBondContact O-CG 3.29Å; I140-M144 PolarHBondContact O-N 2.83Å
141Q69.2Low69.8Low102 Ų102104.4 Ų104.448%0.47756%0.56SS.*Hα-helixtrans-61.1-43.6175.2-100.7176.7-80.700112.6V137 N138 C143 M144 G145 Y146V137-Q141 PolarHBondContact O-N 3.41Å; N138-Q141 PolarHBondContact O-N 3Å; Q141-C143 PolarHBondContact O-N 2.72Å; Q141-M144 CarbonylContact O-C 3.5Å; Q141-M144 PolarHBondContact O-N 3.21Å; Q141-M144 VanDerWaalsContact O-N 3.14Å; Q141-G145 PolarHBondContact O-N 2.83Å; Q141-G145 VanDerWaalsContact O-N 3.12Å; Q141-Y146 PolarHBondContact O-N 3.31Å
142I70Confident69.3Low131 Ų131106.5 Ų106.567%0.67257%0.568SS**Hα-helixtrans-65-39.5178.7-64.2164.7000111.5N138 S139 M144 G145N138-I142 VanDerWaalsContact O-CG1 3.29Å; N138-I142 WeakPolarHBondContact O-CG1 3.46Å; N138-I142 PolarHBondContact O-N 3.07Å; S139-I142 PolarHBondContact O-N 2.89Å; I142-M144 VanDerWaalsContact C-N 3.32Å; I142-M144 PolarHBondContact O-N 2.93Å; I142-G145 PolarHBondContact O-N 2.87Å
143C66.2Low68.5Low120 Ų120109 Ų10981%0.81157%0.573SS**Hα-helixtrans-69.1-27.8173.7-80.80000113.5S139 I140 Q141 G145S139-C143 PolarHBondContact O-N 3.18Å; I140-C143 PolarHBondContact O-N 2.96Å; Q141-C143 PolarHBondContact O-N 2.72Å; C143-G145 VanDerWaalsContact C-N 3.29Å
144M67.8Low67.7Low148 Ų148108.4 Ų108.473%0.72958%0.575SS**THydrogen-bonded Turntrans-85.82.3175.9-66.4-67.9-69.800113.1I140 Q141 I142I140-M144 HydrophobicContact CG2-CG 4.4Å; I140-M144 WeakPolarHBondContact O-CB 3.37Å; I140-M144 VanDerWaalsContact O-CG 3.25Å; I140-M144 WeakPolarHBondContact O-CG 3.29Å; I140-M144 PolarHBondContact O-N 2.83Å; Q141-M144 CarbonylContact O-C 3.5Å; Q141-M144 PolarHBondContact O-N 3.21Å; Q141-M144 VanDerWaalsContact O-N 3.14Å; I142-M144 VanDerWaalsContact C-N 3.32Å; I142-M144 PolarHBondContact O-N 2.93Å
145G46.1Very low67.2Low68 Ų68112.8 Ų112.870%0.70160%0.601SS**THydrogen-bonded Turntrans72.835.8171.200000115.2Q141 I142 C143Q141-G145 PolarHBondContact O-N 2.83Å; Q141-G145 VanDerWaalsContact O-N 3.12Å; I142-G145 PolarHBondContact O-N 2.87Å; C143-G145 VanDerWaalsContact C-N 3.29Å
146Y44.3Very low66.4Low247 Ų247106.5 Ų106.597%0.96959%0.594SS**  trans-109.90166.7-90-85.4000111.6Q141Q141-Y146 PolarHBondContact O-N 3.31Å

Retrieved 146 of 146 residues in 91.2 ms (Link to these results)