A0A087X685_POEFO Loading...

Doublesex and mab-3 related transcription factor 1

AlphaFold DB , UniProt , Accession A0A087X685, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 293 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
1M43.8Very low53.4Low236 Ų236165 Ų165100%1.16387%0.872SS**  0101.60-70.7-61.4169.300108.8
2P45.4Very low52.8Low120 Ų120166.8 Ų166.878%0.77987%0.867SS**  trans-85.5130.4172.832.2-28.2000110.5V4P2-V4 PolarHBondContact O-N 3.34Å
3A49Very low52.3Low104 Ų104162.9 Ų162.986%0.8686%0.859SS**  trans-80.2111.4171.600000109.4
4V60.3Low51.8Low130 Ų130164.6 Ų164.679%0.78886%0.859SS**  trans-86.8119.2176.2-74.80000109.8P2 S6P2-V4 PolarHBondContact O-N 3.34Å; V4-S6 PolarHBondContact O-N 2.82Å
5M56.3Low51.1Low182 Ų182165.3 Ų165.390%0.89786%0.857SS**  trans-69.2122175.7-62.3172.3102.900110.1R7M5-R7 PolarHBondContact O-N 3.41Å
6S52.4Low50.7Low118 Ų118161.8 Ų161.883%0.82585%0.851SS**  trans-62.6115.4176.8-62.90000111.6V4 I8V4-S6 PolarHBondContact O-N 2.82Å; S6-I8 PolarHBondContact O-N 3.05Å
7R59.8Low50.7Low242 Ų242165.4 Ų165.491%0.91385%0.85SS**  trans-77.1112.7171.2-66.5-177.2-179.3-170.5-0.4109.7M5 R9M5-R7 PolarHBondContact O-N 3.41Å; R7-R9 PolarHBondContact O-N 2.83Å
8I58.3Low50.4Low163 Ų163163.1 Ų163.184%0.83685%0.848SS**PPolyproline II helixtrans-66.4122.2169.8-62.4173000108.2S6S6-I8 PolarHBondContact O-N 3.05Å
9R58.4Low50.3Low225 Ų225164.4 Ų164.485%0.84985%0.849SS**PPolyproline II helixtrans-81.2133172.7-62.3-175.1-162-156.54.5109.1R7R7-R9 PolarHBondContact O-N 2.83Å
10P51.9Low50.2Low127 Ų127161.1 Ų161.183%0.82584%0.841SS**PPolyproline II helixtrans-71.613317426.9-30.5000111.1
11I51.5Low50.2Low168 Ų168159.5 Ų159.586%0.86284%0.841SS**PPolyproline II helixtrans-71.4122.2176.6-62.7165.3000108.4
12K46.9Very low50.5Low186 Ų186153 Ų15381%0.80982%0.818SS**PPolyproline II helixtrans-78.3133.8173.7-164.9179.6-177.4-175.30108.9E14K12-E14 PolarHBondContact O-N 3.13Å
13P46.4Very low51Low117 Ų117157 Ų15776%0.7682%0.823SS**PPolyproline II helixtrans-69.1128173.326.3-30000110.1E15P13-E15 PolarHBondContact O-N 3.5Å
14E45.5Very low51.4Low186 Ų186155.4 Ų155.487%0.86981%0.81SS**PPolyproline II helixtrans-58.4124.6176.1-108.5-89.9129.300111K12 S16K12-E14 PolarHBondContact O-N 3.13Å; E14-S16 PolarHBondContact O-N 2.74Å
15E40Very low51.5Low176 Ų176160.7 Ų160.782%0.82282%0.816SS**  trans-78.5111.1176.5-171.2162147.400108.9P13 R17P13-E15 PolarHBondContact O-N 3.5Å; E15-R17 PolarHBondContact O-N 3.03Å
16S45.6Very low51.8Low108 Ų108161.2 Ų161.276%0.75581%0.814SS**  trans-61109.3-179.755.60000111.4E14E14-S16 PolarHBondContact O-N 2.74Å
17R50.5Low52.6Low223 Ų223160 Ų16084%0.84281%0.805SS**  trans-34.1138.7167.1-167177.5-166.3-170.94.3113.6E15 Q19E15-R17 PolarHBondContact O-N 3.03Å; R17-Q19 PolarHBondContact O-N 3.48Å
18P45.3Very low53.4Low125 Ų125155 Ų15581%0.81280%0.802SS**  trans-66.4110.617726.2-31.4000109.8S20P18-S20 PolarHBondContact O-N 2.94Å
19Q48.3Very low54.6Low187 Ų187158 Ų15887%0.87480%0.802SS**  trans-64.2128.2167.9-69.3-179.917.500108.5R17R17-Q19 PolarHBondContact O-N 3.48Å
20S48.1Very low55.7Low99 Ų99152.4 Ų152.469%0.69279%0.793SS**  trans-50.9146.3173.548.40000111.3P18 S22P18-S20 PolarHBondContact O-N 2.94Å; S20-S22 VanDerWaalsContact C-N 3.26Å; S20-S22 PolarHBondContact O-N 2.8Å
21P50Low57.7Low127 Ų127150.5 Ų150.583%0.82578%0.781SS**  trans-70.891173.229.7-31.1000107.6K23P21-K23 PolarHBondContact O-N 2.79Å
22S50Low59.7Low99 Ų99148.4 Ų148.469%0.69277%0.766SS**  trans-49.4133.7160.364.20000106.9S20 A24S20-S22 VanDerWaalsContact C-N 3.26Å; S20-S22 PolarHBondContact O-N 2.8Å; S22-A24 PolarHBondContact O-N 3.4Å
23K56Low62Low204 Ų204140.1 Ų140.189%0.88773%0.731SS**  trans-64.679.9178.8-68.8-174.4-178.6178.90108.4P21 R25P21-K23 PolarHBondContact O-N 2.79Å; K23-R25 PolarHBondContact O-N 2.83Å
24A57.6Low64.4Low71 Ų71136.9 Ų136.959%0.58771%0.711SS**  trans-55.9113.8169.600000106S22 K26S22-A24 PolarHBondContact O-N 3.4Å; A24-K26 VanDerWaalsContact C-N 3.29Å; A24-K26 PolarHBondContact O-N 3.33Å
25R62.8Low66.8Low241 Ų241131.2 Ų131.291%0.90968%0.682SS**  trans-58.4101.8170.1-70.6-168166.3-107.5-1105.9K23 S27K23-R25 PolarHBondContact O-N 2.83Å; R25-S27 VanDerWaalsContact C-N 3.31Å; R25-S27 PolarHBondContact O-N 3.01Å
26K62.2Low69.5Low194 Ų194122.8 Ų122.884%0.84364%0.643SS**  trans-6398.5176.7-61.4128.4-175.8-170.30105.5A24 T28A24-K26 VanDerWaalsContact C-N 3.29Å; A24-K26 PolarHBondContact O-N 3.33Å; K26-T28 PolarHBondContact O-N 3.44Å
27S68.7Low71.9Confident93 Ų93125 Ų12565%0.6563%0.634SS**  trans-59.7115.9172.251.70000106.7R25 R29R25-S27 VanDerWaalsContact C-N 3.31Å; R25-S27 PolarHBondContact O-N 3.01Å; S27-R29 VanDerWaalsContact C-N 3.28Å; S27-R29 PolarHBondContact O-N 2.89Å
28T77.9Confident74Confident136 Ų136116 Ų11683%0.83460%0.602SS**  trans-60.394.3177.3-55.40000107.5K26 T30K26-T28 PolarHBondContact O-N 3.44Å; T28-T30 PolarHBondContact O-N 3.48Å; T28-T30 VanDerWaalsContact O-N 3.16Å
29R83Confident76.5Confident225 Ų225112.9 Ų112.985%0.84958%0.577SS**PPolyproline II helixtrans-61.4122.6-176.7-70.1-174.2178.1-164-0.8108.1S27S27-R29 VanDerWaalsContact C-N 3.28Å; S27-R29 PolarHBondContact O-N 2.89Å
30T82.5Confident78.7Confident108 Ų108106.8 Ų106.866%0.66357%0.565SS**PPolyproline II helixtrans-65.6133.1177.348.80000109.4T28T28-T30 PolarHBondContact O-N 3.48Å; T28-T30 VanDerWaalsContact O-N 3.16Å
31P92.6Very high81Confident87 Ų87107.8 Ų107.857%0.56556%0.557SS**PPolyproline II helixtrans-66.5139.7-179.525.7-32.6000110.4L45P31-L45 HydrophobicContact CB-CB 4.29Å; P31-L45 HydrophobicContact CB-CD2 4.07Å; P31-L45 HydrophobicContact CG-CB 4.32Å; P31-L45 HydrophobicContact CG-CD2 4.32Å; P31-L45 WeakPolarHBondContact O-CB 3.4Å; P31-L45 PolarHBondContact O-N 3.48Å
32K94.8Very high83Confident125 Ų125109 Ų10954%0.54355%0.549SS..BIsolated β-bridgetrans-100.5154.1176.8-60.5-178-179-175.90110.7S34 F42K32-S34 PolarHBondContact O-N 2.96Å; K32-F42 HydrophobicContact CD-CD1 4.41Å
33C95.4Very high85.1Confident11 Ų11105.7 Ų105.77%0.07453%0.526CS..PPolyproline II helixtrans-68.8117.4175.1-176.50000111.2R35 C36 R37 S43 L45 H48C33-R35 VanDerWaalsContact C-N 3.33Å; C33-R35 PolarHBondContact O-N 3.02Å; C33-C36 HydrophobicContact CB-CB 4.17Å; C33-R37 PolarHBondContact O-N 3.22Å; C33-S43 PolarHBondContact N-O 2.97Å; C33-L45 HydrophobicContact CB-CD1 4.27Å; C33-H48 VanDerWaalsContact CB-CD2 3.49Å; C33-H48 WeakPolarHBondContact CB-CD2 3.43Å; C33-H48 PolarHBondContact SG-CD2 3.49Å
34S95.1Very high86.8Confident49 Ų4998.8 Ų98.834%0.34351%0.507SS..Hα-helixtrans-68.5-32.3-178.7-39.80000112.7K32 R37 N38K32-S34 PolarHBondContact O-N 2.96Å; S34-R37 PolarHBondContact O-N 3Å; S34-N38 PolarHBondContact O-N 2.99Å; S34-N38 PolarHBondContact O-OD1 3.19Å
35R96.3Very high88.5Confident67 Ų6799 Ų9925%0.25350%0.498SS..Hα-helixtrans-68.3-47.7178.5-71-172.5168.8159.8-21.8112C33 R37 N38 H39 W54 R55C33-R35 VanDerWaalsContact C-N 3.33Å; C33-R35 PolarHBondContact O-N 3.02Å; R35-R37 VanDerWaalsContact C-N 3.27Å; R35-R37 PolarHBondContact O-N 3.47Å; R35-N38 WeakPolarHBondContact O-CB 3.26Å; R35-N38 PolarHBondContact O-N 3.32Å; R35-N38 VanDerWaalsContact O-N 3.13Å; R35-H39 PolarHBondContact O-CD2 3.36Å; R35-W54 HydrophobicContact CB-CB 4.4Å; R35-W54 VanDerWaalsContact CD-O 3.3Å; R35-W54 WeakPolarHBondContact CD-O 3.31Å; R35-R55 PolarHBondContact NH1-O 3.3Å; R35-R55 PolarHBondContact NH2-O 3.42Å
36C96.3Very high89.8Confident0 Ų097.3 Ų97.30%050%0.497CS..Hα-helixtrans-57.8-42.7175.1-59.90000112C33 N38 H39 G40 F41 H48 C52 W54C33-C36 HydrophobicContact CB-CB 4.17Å; C36-N38 PolarHBondContact O-N 2.82Å; C36-H39 CarbonylContact O-C 3.53Å; C36-H39 PolarHBondContact O-N 3.17Å; C36-G40 PolarHBondContact O-N 3.2Å; C36-F41 CarbonylContact C-O 2.96Å; C36-F41 HydrophobicContact CB-CB 4.31Å; C36-F41 WeakPolarHBondContact CB-O 3.42Å; C36-F41 PolarHBondContact O-N 2.82Å; C36-H48 PolarHBondContact SG-CE1 3.01Å; C36-H48 PolarHBondContact SG-NE2 3.03Å; C36-C52 VanDerWaalsContact SG-SG 3.7Å; C36-W54 HydrophobicContact CB-CE3 3.99Å; C36-W54 HydrophobicContact CB-CZ3 3.84Å; C36-W54 VanDerWaalsContact SG-CZ3 3.54Å
37R96.2Very high91.2Very high155 Ų15590.5 Ų90.559%0.58548%0.482SS*.Hα-helixtrans-59.9-34.3179.8-169.5-17968.1121.51.1112.4C33 S34 R35 H39 G40 F41 F42C33-R37 PolarHBondContact O-N 3.22Å; S34-R37 PolarHBondContact O-N 3Å; R35-R37 VanDerWaalsContact C-N 3.27Å; R35-R37 PolarHBondContact O-N 3.47Å; R37-H39 PolarHBondContact O-N 3.2Å; R37-G40 PolarHBondContact O-N 3.4Å; R37-F41 WeakPolarHBondContact CA-O 3.42Å; R37-F41 PolarHBondContact N-O 2.71Å; R37-F42 HydrophobicContact CG-CE1 4.44Å
38N96Very high92.4Very high32 Ų3287.3 Ų87.317%0.17146%0.457CS..Hα-helixtrans-66-24.9176.8-73.5-9.6000113.4S34 R35 C36 K61 I65S34-N38 PolarHBondContact O-N 2.99Å; S34-N38 PolarHBondContact O-OD1 3.19Å; R35-N38 WeakPolarHBondContact O-CB 3.26Å; R35-N38 PolarHBondContact O-N 3.32Å; R35-N38 VanDerWaalsContact O-N 3.13Å; C36-N38 PolarHBondContact O-N 2.82Å; N38-K61 HydrophobicContact CB-CB 4.12Å; N38-K61 HydrophobicContact CB-CD 4.39Å; N38-K61 PolarHBondContact ND2-O 3.22Å; N38-I65 WeakPolarHBondContact ND2-CD1 3.49Å
39H96.8Very high93.1Very high61 Ų6188.7 Ų88.728%0.28245%0.451SS..THydrogen-bonded Turntrans-101.98.9-179.7-68.1-77.6000113.2R35 C36 R37 F41 W54 C57 C62R35-H39 PolarHBondContact O-CD2 3.36Å; C36-H39 CarbonylContact O-C 3.53Å; C36-H39 PolarHBondContact O-N 3.17Å; R37-H39 PolarHBondContact O-N 3.2Å; H39-F41 HydrophobicContact CB-CD2 4.39Å; H39-F41 VanDerWaalsContact O-CD2 3.26Å; H39-F41 WeakPolarHBondContact O-CD2 3.27Å; H39-W54 HydrophobicContact CB-CD2 3.97Å; H39-W54 HydrophobicContact CB-CG 4.35Å; H39-W54 HydrophobicContact CB-CZ2 3.88Å; H39-W54 AromaticContact CD2-CD1 3.23Å; H39-W54 AromaticContact CD2-CD2 3.79Å; H39-W54 AromaticContact CD2-CG 3.29Å; H39-W54 AromaticContact CD2-NE1 3.66Å; H39-W54 AromaticContact CE1-CD1 3.72Å; H39-W54 AromaticContact CG-CD1 3.46Å; H39-W54 VanDerWaalsContact CG-CD1 3.46Å; H39-W54 AromaticContact CG-CD2 3.98Å; H39-W54 AromaticContact CG-CE2 3.75Å; H39-W54 AromaticContact CG-CG 3.82Å; H39-W54 AromaticContact CG-NE1 3.38Å; H39-W54 AromaticContact ND1-CD1 3.75Å; H39-W54 AromaticContact ND1-NE1 3.69Å; H39-W54 AromaticContact NE2-CD1 3.44Å; H39-W54 AromaticContact NE2-CG 3.79Å; H39-C57 PolarHBondContact CE1-SG 3.25Å; H39-C57 PolarHBondContact NE2-SG 3.39Å; H39-C62 PolarHBondContact NE2-SG 3.36Å
40G95.6Very high93.6Very high59 Ų5986.1 Ų86.161%0.60844%0.441SS*.THydrogen-bonded Turntrans88.51.1176.600000115.3C36 R37C36-G40 PolarHBondContact O-N 3.2Å; R37-G40 PolarHBondContact O-N 3.4Å
41F94.8Very high94.1Very high120 Ų12087.7 Ų87.753%0.52644%0.439SS..  trans-104.5142.2-179.1-64.9-91.5000112C36 R37 H39 W54C36-F41 CarbonylContact C-O 2.96Å; C36-F41 HydrophobicContact CB-CB 4.31Å; C36-F41 WeakPolarHBondContact CB-O 3.42Å; C36-F41 PolarHBondContact O-N 2.82Å; R37-F41 WeakPolarHBondContact CA-O 3.42Å; R37-F41 PolarHBondContact N-O 2.71Å; H39-F41 HydrophobicContact CB-CD2 4.39Å; H39-F41 VanDerWaalsContact O-CD2 3.26Å; H39-F41 WeakPolarHBondContact O-CD2 3.27Å; F41-W54 HydrophobicContact CB-CH2 3.61Å; F41-W54 HydrophobicContact CB-CZ3 3.86Å; F41-W54 HydrophobicContact CD1-CH2 4.23Å; F41-W54 AromaticContact CD2-CH2 3.05Å; F41-W54 HydrophobicContact CD2-CH2 3.05Å; F41-W54 AromaticContact CD2-CZ2 3.28Å; F41-W54 HydrophobicContact CD2-CZ2 3.28Å; F41-W54 HydrophobicContact CD2-CZ3 4.07Å; F41-W54 AromaticContact CE2-CH2 3.68Å; F41-W54 HydrophobicContact CE2-CH2 3.68Å; F41-W54 AromaticContact CE2-CZ2 3.53Å; F41-W54 HydrophobicContact CE2-CZ2 3.53Å; F41-W54 AromaticContact CG-CH2 3.37Å; F41-W54 HydrophobicContact CG-CH2 3.37Å; F41-W54 HydrophobicContact CG-CZ2 4.09Å; F41-W54 HydrophobicContact CG-CZ3 4.15Å; F41-W54 HydrophobicContact CZ-CH2 4.48Å
42F93.1Very high94.3Very high152 Ų15284 Ų8467%0.66742%0.415SS*.  trans-102123.1176.2-65.4-76.5000110.6K32 R37K32-F42 HydrophobicContact CD-CD1 4.41Å; R37-F42 HydrophobicContact CG-CE1 4.44Å
43S92.8Very high94.4Very high29 Ų2984.5 Ų84.520%0.20342%0.424CS..  trans-137.1133173.9-47.10000109.6C33C33-S43 PolarHBondContact N-O 2.97Å
44A93.6Very high94.4Very high60 Ų6086.4 Ų86.450%0.49643%0.43SS..BIsolated β-bridgetrans-62.9139170.500000109.3K46 H48A44-K46 VanDerWaalsContact C-N 3.28Å; A44-K46 PolarHBondContact O-N 2.76Å; A44-H48 WeakPolarHBondContact O-CB 3.36Å
45L91.9Very high94.4Very high75 Ų7588.3 Ų88.339%0.39343%0.429SS..SBendtrans-72.2-24.6-175.5-172.762.4000112.3P31 C33 G47 H48P31-L45 HydrophobicContact CB-CB 4.29Å; P31-L45 HydrophobicContact CB-CD2 4.07Å; P31-L45 HydrophobicContact CG-CB 4.32Å; P31-L45 HydrophobicContact CG-CD2 4.32Å; P31-L45 WeakPolarHBondContact O-CB 3.4Å; P31-L45 PolarHBondContact O-N 3.48Å; C33-L45 HydrophobicContact CB-CD1 4.27Å; L45-G47 PolarHBondContact O-N 3.42Å; L45-G47 VanDerWaalsContact O-N 3.15Å; L45-H48 PolarHBondContact O-N 3.33Å
46K90.4Very high94.4Very high206 Ų20691.1 Ų91.190%0.89645%0.449SS*.THydrogen-bonded Turntrans-60.1115.5179.6-170.3174.1-178.6179.50109.9A44 H48A44-K46 VanDerWaalsContact C-N 3.28Å; A44-K46 PolarHBondContact O-N 2.76Å; K46-H48 PolarHBondContact O-N 3.14Å; K46-H48 VanDerWaalsContact O-N 3.15Å
47G91.2Very high94.4Very high50 Ų5092.5 Ų92.552%0.51546%0.459SS..THydrogen-bonded Turntrans75.7-12.1-179.900000115.9L45 K49 F51L45-G47 PolarHBondContact O-N 3.42Å; L45-G47 VanDerWaalsContact O-N 3.15Å; G47-K49 PolarHBondContact O-N 3.28Å; G47-F51 WeakPolarHBondContact O-CD2 3.34Å
48H95.2Very high94.5Very high27 Ų2792.7 Ų92.713%0.12547%0.466CS..G310 helixtrans-80.7-18-170.3177.678.1000114.7C33 C36 A44 L45 K46 R50 F51 C52C33-H48 VanDerWaalsContact CB-CD2 3.49Å; C33-H48 WeakPolarHBondContact CB-CD2 3.43Å; C33-H48 PolarHBondContact SG-CD2 3.49Å; C36-H48 PolarHBondContact SG-CE1 3.01Å; C36-H48 PolarHBondContact SG-NE2 3.03Å; A44-H48 WeakPolarHBondContact O-CB 3.36Å; L45-H48 PolarHBondContact O-N 3.33Å; K46-H48 PolarHBondContact O-N 3.14Å; K46-H48 VanDerWaalsContact O-N 3.15Å; H48-R50 VanDerWaalsContact C-N 3.27Å; H48-R50 PolarHBondContact O-N 3.39Å; H48-R50 VanDerWaalsContact O-N 3.14Å; H48-F51 CarbonylContact O-C 3.57Å; H48-F51 PolarHBondContact O-N 3.09Å; H48-C52 VanDerWaalsContact NE2-CB 3.31Å; H48-C52 WeakPolarHBondContact NE2-CB 3.5Å; H48-C52 PolarHBondContact NE2-SG 3.39Å; H48-C52 PolarHBondContact O-N 3.13Å
49K92.1Very high94.6Very high164 Ų16493.3 Ų93.371%0.71347%0.473SS*.G310 helixtrans-52.5-41.4-176.5-174.7177.1-174.3-750113.3G47 R55G47-K49 PolarHBondContact O-N 3.28Å; K49-R55 PolarHBondContact O-NE 3.02Å
50R92.8Very high94.6Very high171 Ų17194.1 Ų94.165%0.64549%0.49SS*.G310 helixtrans-86.7-6.2-177.8-61.1-169.7-54.4-93.3-0.9115H48 R55H48-R50 VanDerWaalsContact C-N 3.27Å; H48-R50 PolarHBondContact O-N 3.39Å; H48-R50 VanDerWaalsContact O-N 3.14Å; R50-R55 VanDerWaalsContact O-CZ 3.27Å; R50-R55 PolarHBondContact O-NH2 2.91Å
51F94.4Very high94.7Very high141 Ų14197.4 Ų97.462%0.61849%0.487SS*.THydrogen-bonded Turntrans-1239.4-179.9-53.9-66.6000112G47 H48 N53G47-F51 WeakPolarHBondContact O-CD2 3.34Å; H48-F51 CarbonylContact O-C 3.57Å; H48-F51 PolarHBondContact O-N 3.09Å; F51-N53 PolarHBondContact O-N 3.35Å
52C95.8Very high94.8Very high9 Ų991.8 Ų91.86%0.06146%0.463CS..  trans-67.5120.5177-172.70000110.3C36 H48 W54 R55C36-C52 VanDerWaalsContact SG-SG 3.7Å; H48-C52 VanDerWaalsContact NE2-CB 3.31Å; H48-C52 WeakPolarHBondContact NE2-CB 3.5Å; H48-C52 PolarHBondContact NE2-SG 3.39Å; H48-C52 PolarHBondContact O-N 3.13Å; C52-W54 PolarHBondContact O-N 2.93Å; C52-R55 HydrophobicContact CB-CB 4.28Å; C52-R55 WeakPolarHBondContact O-CB 3.41Å; C52-R55 PolarHBondContact O-N 3.37Å
53N96Very high95Very high137 Ų13788.2 Ų88.273%0.73345%0.451SS*.THydrogen-bonded Turntrans-60-30.1174.4-61.161.3000112.2F51F51-N53 PolarHBondContact O-N 3.35Å
54W96.6Very high95.2Very high51 Ų5192.9 Ų92.919%0.19347%0.473CS..THydrogen-bonded Turntrans-102.323.9179.9-54.4-81000113.2R35 C36 H39 F41 C52 D56 C57R35-W54 HydrophobicContact CB-CB 4.4Å; R35-W54 VanDerWaalsContact CD-O 3.3Å; R35-W54 WeakPolarHBondContact CD-O 3.31Å; C36-W54 HydrophobicContact CB-CE3 3.99Å; C36-W54 HydrophobicContact CB-CZ3 3.84Å; C36-W54 VanDerWaalsContact SG-CZ3 3.54Å; H39-W54 HydrophobicContact CB-CD2 3.97Å; H39-W54 HydrophobicContact CB-CG 4.35Å; H39-W54 HydrophobicContact CB-CZ2 3.88Å; H39-W54 AromaticContact CD2-CD1 3.23Å; H39-W54 AromaticContact CD2-CD2 3.79Å; H39-W54 AromaticContact CD2-CG 3.29Å; H39-W54 AromaticContact CD2-NE1 3.66Å; H39-W54 AromaticContact CE1-CD1 3.72Å; H39-W54 AromaticContact CG-CD1 3.46Å; H39-W54 VanDerWaalsContact CG-CD1 3.46Å; H39-W54 AromaticContact CG-CD2 3.98Å; H39-W54 AromaticContact CG-CE2 3.75Å; H39-W54 AromaticContact CG-CG 3.82Å; H39-W54 AromaticContact CG-NE1 3.38Å; H39-W54 AromaticContact ND1-CD1 3.75Å; H39-W54 AromaticContact ND1-NE1 3.69Å; H39-W54 AromaticContact NE2-CD1 3.44Å; H39-W54 AromaticContact NE2-CG 3.79Å; F41-W54 HydrophobicContact CB-CH2 3.61Å; F41-W54 HydrophobicContact CB-CZ3 3.86Å; F41-W54 HydrophobicContact CD1-CH2 4.23Å; F41-W54 AromaticContact CD2-CH2 3.05Å; F41-W54 HydrophobicContact CD2-CH2 3.05Å; F41-W54 AromaticContact CD2-CZ2 3.28Å; F41-W54 HydrophobicContact CD2-CZ2 3.28Å; F41-W54 HydrophobicContact CD2-CZ3 4.07Å; F41-W54 AromaticContact CE2-CH2 3.68Å; F41-W54 HydrophobicContact CE2-CH2 3.68Å; F41-W54 AromaticContact CE2-CZ2 3.53Å; F41-W54 HydrophobicContact CE2-CZ2 3.53Å; F41-W54 AromaticContact CG-CH2 3.37Å; F41-W54 HydrophobicContact CG-CH2 3.37Å; F41-W54 HydrophobicContact CG-CZ2 4.09Å; F41-W54 HydrophobicContact CG-CZ3 4.15Å; F41-W54 HydrophobicContact CZ-CH2 4.48Å; C52-W54 PolarHBondContact O-N 2.93Å; W54-D56 PolarHBondContact O-N 3.09Å; W54-C57 HydrophobicContact CB-CB 3.91Å; W54-C57 WeakPolarHBondContact O-CB 3.43Å; W54-C57 PolarHBondContact O-N 3.44Å
55R95.3Very high95.4Very high89 Ų8991.5 Ų91.534%0.33646%0.456SS..THydrogen-bonded Turntrans-55.1-38.4-179.3-174.4-175.5-51.1142.743112.2R35 K49 R50 C52R35-R55 PolarHBondContact NH1-O 3.3Å; R35-R55 PolarHBondContact NH2-O 3.42Å; K49-R55 PolarHBondContact O-NE 3.02Å; R50-R55 VanDerWaalsContact O-CZ 3.27Å; R50-R55 PolarHBondContact O-NH2 2.91Å; C52-R55 HydrophobicContact CB-CB 4.28Å; C52-R55 WeakPolarHBondContact O-CB 3.41Å; C52-R55 PolarHBondContact O-N 3.37Å
56D95.5Very high95.6Very high125 Ų12589 Ų8967%0.66845%0.446SS*.THydrogen-bonded Turntrans-115.221.9-174.3-52.1-53.8000111.3W54 Q58W54-D56 PolarHBondContact O-N 3.09Å; D56-Q58 PolarHBondContact O-N 3.05Å
57C96.9Very high96Very high30 Ų3083.6 Ų83.620%0.20342%0.424CS..  trans-67.1130.7176.6-177.30000111.4H39 W54 C59 C62H39-C57 PolarHBondContact CE1-SG 3.25Å; H39-C57 PolarHBondContact NE2-SG 3.39Å; W54-C57 HydrophobicContact CB-CB 3.91Å; W54-C57 WeakPolarHBondContact O-CB 3.43Å; W54-C57 PolarHBondContact O-N 3.44Å; C57-C59 VanDerWaalsContact SG-SG 3.61Å; C57-C62 HydrophobicContact CB-CB 4.42Å; C57-C62 WeakPolarHBondContact O-CB 3.45Å
58Q97.6Very high96.3Very high159 Ų15988.9 Ų88.974%0.74343%0.429SS*.  trans-109.720.7-178.2-55.7-178.62100113D56 N63D56-Q58 PolarHBondContact O-N 3.05Å; Q58-N63 PolarHBondContact O-ND2 2.88Å
59C97.9Very high96.4Very high45 Ų4592.5 Ų92.530%0.30445%0.446SS..SBendtrans-64.8157.4173.875.70000111C57 K61 C62 N63C57-C59 VanDerWaalsContact SG-SG 3.61Å; C59-K61 VanDerWaalsContact C-N 3.28Å; C59-K61 PolarHBondContact O-N 2.94Å; C59-K61 VanDerWaalsContact O-N 3.17Å; C59-C62 PolarHBondContact O-N 3.32Å; C59-N63 PolarHBondContact O-N 3.16Å
60A97.8Very high96.7Very high77 Ų7791.8 Ų91.864%0.63644%0.439SS*.Hα-helixtrans-51.2-44.4-177.600000113.1C62 N63 L64A60-C62 VanDerWaalsContact C-N 3.35Å; A60-C62 PolarHBondContact O-N 3.05Å; A60-N63 PolarHBondContact O-N 3.41Å; A60-L64 WeakPolarHBondContact O-CG 3.38Å; A60-L64 PolarHBondContact O-N 2.99Å
61K97.3Very high96.9Very high129 Ų12987.7 Ų87.756%0.56143%0.432SS*.Hα-helixtrans-61.5-39.8178-62.4-178.6-175.8173.90112.6N38 C59 I65N38-K61 HydrophobicContact CB-CB 4.12Å; N38-K61 HydrophobicContact CB-CD 4.39Å; N38-K61 PolarHBondContact ND2-O 3.22Å; C59-K61 VanDerWaalsContact C-N 3.28Å; C59-K61 PolarHBondContact O-N 2.94Å; C59-K61 VanDerWaalsContact O-N 3.17Å; K61-I65 WeakPolarHBondContact O-CG1 3.5Å; K61-I65 PolarHBondContact O-N 3.11Å
62C97.2Very high97.1Very high1 Ų184.8 Ų84.81%0.00742%0.422CS..Hα-helixtrans-75.6-36.2179.8-75.10000112.2H39 C57 C59 A60 I65 A66H39-C62 PolarHBondContact NE2-SG 3.36Å; C57-C62 HydrophobicContact CB-CB 4.42Å; C57-C62 WeakPolarHBondContact O-CB 3.45Å; C59-C62 PolarHBondContact O-N 3.32Å; A60-C62 VanDerWaalsContact C-N 3.35Å; A60-C62 PolarHBondContact O-N 3.05Å; C62-I65 PolarHBondContact O-N 3.45Å; C62-A66 PolarHBondContact O-N 3.45Å
63N97.9Very high97.2Very high78 Ų7887.2 Ų87.242%0.41744%0.442SS..Hα-helixtrans-62.3-42.2173.1-78.3-25.5000112.3Q58 C59 A60 I65 A66 Q67Q58-N63 PolarHBondContact O-ND2 2.88Å; C59-N63 PolarHBondContact O-N 3.16Å; A60-N63 PolarHBondContact O-N 3.41Å; N63-I65 VanDerWaalsContact C-N 3.32Å; N63-I65 PolarHBondContact O-N 3.01Å; N63-A66 WeakPolarHBondContact O-CB 3.49Å; N63-A66 PolarHBondContact O-N 2.97Å; N63-Q67 PolarHBondContact O-N 2.89Å
64L97.1Very high97.3Very high127 Ų12783.8 Ų83.867%0.66543%0.433SS*.Hα-helixtrans-59.5-41.6176.3-72.3172.5000112.5A60 Q67 R68A60-L64 WeakPolarHBondContact O-CG 3.38Å; A60-L64 PolarHBondContact O-N 2.99Å; L64-Q67 PolarHBondContact O-N 2.85Å; L64-R68 WeakPolarHBondContact O-CB 3.38Å; L64-R68 PolarHBondContact O-N 3.05Å
65I96.5Very high97.4Very high30 Ų3086.5 Ų86.515%0.15445%0.448CS..Hα-helixtrans-67.6-39.8177-64.1-177.7000111N38 K61 C62 N63 Q67 R68 Q69N38-I65 WeakPolarHBondContact ND2-CD1 3.49Å; K61-I65 WeakPolarHBondContact O-CG1 3.5Å; K61-I65 PolarHBondContact O-N 3.11Å; C62-I65 PolarHBondContact O-N 3.45Å; N63-I65 VanDerWaalsContact C-N 3.32Å; N63-I65 PolarHBondContact O-N 3.01Å; I65-Q67 VanDerWaalsContact C-N 3.35Å; I65-R68 PolarHBondContact O-N 3.4Å; I65-Q69 HydrophobicContact CG2-CG 4.38Å; I65-Q69 WeakPolarHBondContact O-CB 3.28Å; I65-Q69 VanDerWaalsContact O-CG 3.3Å; I65-Q69 WeakPolarHBondContact O-CG 3.48Å; I65-Q69 PolarHBondContact O-N 3.19Å
66A96.7Very high97.6Very high22 Ų2285.2 Ų85.218%0.18245%0.45CS..Hα-helixtrans-62.4-42.7176.200000111.7C62 N63 Q69 R70C62-A66 PolarHBondContact O-N 3.45Å; N63-A66 WeakPolarHBondContact O-CB 3.49Å; N63-A66 PolarHBondContact O-N 2.97Å; A66-Q69 PolarHBondContact O-N 3.22Å; A66-R70 PolarHBondContact O-N 3.37Å
67Q97.8Very high97.7Very high93 Ų9382 Ų8244%0.43544%0.44SS..Hα-helixtrans-61.5-47.8174.1-175.66516.100111.2N63 L64 I65 Q69 R70 V71N63-Q67 PolarHBondContact O-N 2.89Å; L64-Q67 PolarHBondContact O-N 2.85Å; I65-Q67 VanDerWaalsContact C-N 3.35Å; Q67-Q69 VanDerWaalsContact C-N 3.3Å; Q67-Q69 PolarHBondContact O-N 3.08Å; Q67-R70 WeakPolarHBondContact O-CB 3.29Å; Q67-R70 PolarHBondContact O-N 3.17Å; Q67-R70 VanDerWaalsContact O-N 3.13Å; Q67-V71 PolarHBondContact O-N 3.34Å
68R97.9Very high97.7Very high161 Ų16185 Ų8561%0.60845%0.454SS*.Hα-helixtrans-58.3-41.8177.4-176.7178.5-178.1-79.6-6112.1L64 I65 R70 V71 M72L64-R68 WeakPolarHBondContact O-CB 3.38Å; L64-R68 PolarHBondContact O-N 3.05Å; I65-R68 PolarHBondContact O-N 3.4Å; R68-R70 VanDerWaalsContact C-N 3.35Å; R68-V71 PolarHBondContact O-N 3.42Å; R68-M72 HydrophobicContact CG-SD 4.43Å; R68-M72 VanDerWaalsContact CZ-SD 3.51Å; R68-M72 PolarHBondContact NH1-SD 2.93Å; R68-M72 WeakPolarHBondContact O-CB 3.46Å; R68-M72 WeakPolarHBondContact O-CG 3.36Å; R68-M72 PolarHBondContact O-N 3.36Å
69Q97.2Very high97.8Very high103 Ų10385 Ų8548%0.48145%0.447SS..Hα-helixtrans-64.5-39.2177.1-75.4174.8-5.300112I65 A66 Q67 M72 A73I65-Q69 HydrophobicContact CG2-CG 4.38Å; I65-Q69 WeakPolarHBondContact O-CB 3.28Å; I65-Q69 VanDerWaalsContact O-CG 3.3Å; I65-Q69 WeakPolarHBondContact O-CG 3.48Å; I65-Q69 PolarHBondContact O-N 3.19Å; A66-Q69 PolarHBondContact O-N 3.22Å; Q67-Q69 VanDerWaalsContact C-N 3.3Å; Q67-Q69 PolarHBondContact O-N 3.08Å; Q69-M72 PolarHBondContact O-N 2.94Å; Q69-A73 VanDerWaalsContact O-CB 3.3Å; Q69-A73 WeakPolarHBondContact O-CB 3.49Å; Q69-A73 PolarHBondContact O-N 3.32Å
70R98Very high97.7Very high150 Ų15091.3 Ų91.357%0.56646%0.464SS*.Hα-helixtrans-60.6-47.6173.8-77.2-177.5-90.7143.8-3.6111.8A66 Q67 R68 A73 A74A66-R70 PolarHBondContact O-N 3.37Å; Q67-R70 WeakPolarHBondContact O-CB 3.29Å; Q67-R70 PolarHBondContact O-N 3.17Å; Q67-R70 VanDerWaalsContact O-N 3.13Å; R68-R70 VanDerWaalsContact C-N 3.35Å; R70-A73 PolarHBondContact O-N 3.45Å; R70-A74 PolarHBondContact O-N 3.39Å
71V98.2Very high97.7Very high84 Ų8492.3 Ų92.351%0.50946%0.456SS..Hα-helixtrans-61.8-46.1177174.70000111.4Q67 R68 A73 A74 Q75Q67-V71 PolarHBondContact O-N 3.34Å; R68-V71 PolarHBondContact O-N 3.42Å; V71-A73 VanDerWaalsContact C-N 3.32Å; V71-A73 PolarHBondContact O-N 3.06Å; V71-A74 PolarHBondContact O-N 2.91Å; V71-Q75 PolarHBondContact O-N 3.06Å
72M98.4Very high97.7Very high81 Ų8191.3 Ų91.340%0.39945%0.453SS..Hα-helixtrans-62.7-38.8177.1-74.4-173.773.500112.5R68 Q69 Q75 V76R68-M72 HydrophobicContact CG-SD 4.43Å; R68-M72 VanDerWaalsContact CZ-SD 3.51Å; R68-M72 PolarHBondContact NH1-SD 2.93Å; R68-M72 WeakPolarHBondContact O-CB 3.46Å; R68-M72 WeakPolarHBondContact O-CG 3.36Å; R68-M72 PolarHBondContact O-N 3.36Å; Q69-M72 PolarHBondContact O-N 2.94Å; M72-Q75 PolarHBondContact O-N 3.39Å; M72-V76 WeakPolarHBondContact O-CB 3.34Å; M72-V76 VanDerWaalsContact O-CG2 3.25Å; M72-V76 WeakPolarHBondContact O-CG2 3.42Å; M72-V76 PolarHBondContact O-N 2.9Å
73A98.3Very high97.5Very high59 Ų5993.5 Ų93.549%0.48847%0.472SS..Hα-helixtrans-62.6-45.3176.900000111Q69 R70 V71 V76 A77Q69-A73 VanDerWaalsContact O-CB 3.3Å; Q69-A73 WeakPolarHBondContact O-CB 3.49Å; Q69-A73 PolarHBondContact O-N 3.32Å; R70-A73 PolarHBondContact O-N 3.45Å; V71-A73 VanDerWaalsContact C-N 3.32Å; V71-A73 PolarHBondContact O-N 3.06Å; A73-V76 PolarHBondContact O-N 2.87Å; A73-A77 WeakPolarHBondContact O-CB 3.47Å; A73-A77 PolarHBondContact O-N 3.44Å
74A98.1Very high97.4Very high65 Ų6596.1 Ų96.154%0.53748%0.482SS..Hα-helixtrans-60.7-45.2174.900000111.8R70 V71 V76 A77 L78R70-A74 PolarHBondContact O-N 3.39Å; V71-A74 PolarHBondContact O-N 2.91Å; A74-V76 PolarHBondContact O-N 3.18Å; A74-A77 PolarHBondContact O-N 3.06Å; A74-L78 PolarHBondContact O-N 2.89Å
75Q98.6Very high97.1Very high108 Ų10893.7 Ų93.751%0.50547%0.467SS..Hα-helixtrans-63.2-40.1177.9-172.3-179.35.400112.5V71 M72 R79V71-Q75 PolarHBondContact O-N 3.06Å; M72-Q75 PolarHBondContact O-N 3.39Å; Q75-R79 PolarHBondContact O-N 2.89Å; Q75-R79 VanDerWaalsContact O-N 3.09Å
76V98.4Very high96.7Very high62 Ų6299.8 Ų99.838%0.37649%0.494SS..Hα-helixtrans-68.6-38.6176.51700000111M72 A73 A74 R80M72-V76 WeakPolarHBondContact O-CB 3.34Å; M72-V76 VanDerWaalsContact O-CG2 3.25Å; M72-V76 WeakPolarHBondContact O-CG2 3.42Å; M72-V76 PolarHBondContact O-N 2.9Å; A73-V76 PolarHBondContact O-N 2.87Å; A74-V76 PolarHBondContact O-N 3.18Å; V76-R80 HydrophobicContact CG1-CG 4.47Å; V76-R80 WeakPolarHBondContact O-CB 3.49Å; V76-R80 VanDerWaalsContact O-CG 3.25Å; V76-R80 WeakPolarHBondContact O-CG 3.3Å; V76-R80 PolarHBondContact O-N 3.45Å
77A98Very high96.1Very high57 Ų57106.7 Ų106.747%0.47152%0.523SS..Hα-helixtrans-61.8-48.3174.800000111.1A73 A74 R79 R80 Q81A73-A77 WeakPolarHBondContact O-CB 3.47Å; A73-A77 PolarHBondContact O-N 3.44Å; A74-A77 PolarHBondContact O-N 3.06Å; A77-R79 PolarHBondContact O-N 3.17Å; A77-R80 PolarHBondContact O-N 3.26Å; A77-R80 VanDerWaalsContact O-N 3.16Å; A77-Q81 PolarHBondContact O-N 2.93Å
78L98Very high95.3Very high93 Ų93108.3 Ų108.349%0.48753%0.534SS..Hα-helixtrans-57.6-47.8177.8-179.664.2000112A74 R80 Q81 Q82A74-L78 PolarHBondContact O-N 2.89Å; L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 3.49Å; L78-Q81 WeakPolarHBondContact O-CB 3.3Å; L78-Q81 PolarHBondContact O-N 3.34Å; L78-Q82 WeakPolarHBondContact O-CG 3.46Å; L78-Q82 PolarHBondContact O-N 2.96Å
79R97.8Very high94.1Very high161 Ų161103.9 Ų103.961%0.60854%0.538SS*.Hα-helixtrans-63.3-37.9178.7-171.6-175.6-62.1170.7-0.9112.4Q75 A77 A83Q75-R79 PolarHBondContact O-N 2.89Å; Q75-R79 VanDerWaalsContact O-N 3.09Å; A77-R79 PolarHBondContact O-N 3.17Å; R79-A83 WeakPolarHBondContact O-CB 3.49Å; R79-A83 PolarHBondContact O-N 3.49Å
80R97.5Very high92.4Very high176 Ų176104 Ų10466%0.66454%0.542SS*.Hα-helixtrans-67.6-37.8176.6-74.2173.2-178.6-173.10.3111.6V76 A77 L78 A83 Q84V76-R80 HydrophobicContact CG1-CG 4.47Å; V76-R80 WeakPolarHBondContact O-CB 3.49Å; V76-R80 VanDerWaalsContact O-CG 3.25Å; V76-R80 WeakPolarHBondContact O-CG 3.3Å; V76-R80 PolarHBondContact O-N 3.45Å; A77-R80 PolarHBondContact O-N 3.26Å; A77-R80 VanDerWaalsContact O-N 3.16Å; L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 3.49Å; R80-A83 PolarHBondContact O-N 2.57Å; R80-Q84 WeakPolarHBondContact O-CG 3.25Å; R80-Q84 PolarHBondContact O-N 3.49Å
81Q97.3Very high90.3Very high99 Ų99101.5 Ų101.546%0.46355%0.547SS..Hα-helixtrans-62.5-49.3173.8179.7-178.1-11.200110.8A77 L78 A83 Q84 E85A77-Q81 PolarHBondContact O-N 2.93Å; L78-Q81 WeakPolarHBondContact O-CB 3.3Å; L78-Q81 PolarHBondContact O-N 3.34Å; Q81-A83 VanDerWaalsContact C-N 3.29Å; Q81-A83 PolarHBondContact O-N 3.1Å; Q81-Q84 CarbonylContact O-C 3.6Å; Q81-Q84 WeakPolarHBondContact O-CA 3.13Å; Q81-Q84 WeakPolarHBondContact O-CB 3.44Å; Q81-Q84 PolarHBondContact O-N 2.8Å; Q81-E85 HydrophobicContact CG-CG 4.43Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.42Å; Q81-E85 PolarHBondContact NE2-OE1 3.28Å; Q81-E85 WeakPolarHBondContact O-CG 3.3Å; Q81-E85 PolarHBondContact O-N 2.96Å
82Q96.6Very high88.3Confident107 Ų107101.3 Ų101.350%0.555%0.554SS.*Hα-helixtrans-57.6-41.3176.8-71.1174.6-29.400112.3L78 Q84 E85 E86L78-Q82 WeakPolarHBondContact O-CG 3.46Å; L78-Q82 PolarHBondContact O-N 2.96Å; Q82-Q84 VanDerWaalsContact C-N 3.35Å; Q82-E85 PolarHBondContact O-N 3.22Å; Q82-E86 WeakPolarHBondContact O-CB 3.25Å; Q82-E86 PolarHBondContact O-N 3.23Å
83A93.8Very high86.3Confident48 Ų48102.8 Ų102.840%0.39757%0.57SS.*Hα-helixtrans-66.7-34.5175.400000112.7R79 R80 Q81 E87R79-A83 WeakPolarHBondContact O-CB 3.49Å; R79-A83 PolarHBondContact O-N 3.49Å; R80-A83 PolarHBondContact O-N 2.57Å; Q81-A83 VanDerWaalsContact C-N 3.29Å; Q81-A83 PolarHBondContact O-N 3.1Å; A83-E87 VanDerWaalsContact O-CG 3.29Å; A83-E87 WeakPolarHBondContact O-CG 3.5Å; A83-E87 PolarHBondContact O-N 2.94Å
84Q94.9Very high84Confident133 Ų133105.5 Ų105.562%0.62158%0.58SS**Hα-helixtrans-70.5-38173.8-75.6-177.5-22.900112.2R80 Q81 Q82 E87 L88R80-Q84 WeakPolarHBondContact O-CG 3.25Å; R80-Q84 PolarHBondContact O-N 3.49Å; Q81-Q84 CarbonylContact O-C 3.6Å; Q81-Q84 WeakPolarHBondContact O-CA 3.13Å; Q81-Q84 WeakPolarHBondContact O-CB 3.44Å; Q81-Q84 PolarHBondContact O-N 2.8Å; Q82-Q84 VanDerWaalsContact C-N 3.35Å; Q84-E87 PolarHBondContact O-N 3.46Å; Q84-L88 WeakPolarHBondContact O-CB 3.5Å; Q84-L88 VanDerWaalsContact O-CG 3.28Å; Q84-L88 WeakPolarHBondContact O-CG 3.39Å; Q84-L88 PolarHBondContact O-N 3.22Å; Q84-L88 VanDerWaalsContact O-N 3.11Å
85E90.8Very high81.7Confident75 Ų75109.3 Ų109.335%0.3559%0.591SS.*Hα-helixtrans-65.3-38.8175.7-72.4169-179.900111.5Q81 Q82 L88 G89 I90Q81-E85 HydrophobicContact CG-CG 4.43Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.42Å; Q81-E85 PolarHBondContact NE2-OE1 3.28Å; Q81-E85 WeakPolarHBondContact O-CG 3.3Å; Q81-E85 PolarHBondContact O-N 2.96Å; Q82-E85 PolarHBondContact O-N 3.22Å; E85-L88 PolarHBondContact O-N 3.12Å; E85-G89 PolarHBondContact O-N 3.44Å; E85-I90 PolarHBondContact O-N 3.34Å; E85-I90 VanDerWaalsContact O-N 3.17Å
86E87.8Confident79.6Confident158 Ų158111.7 Ų111.774%0.73861%0.607SS**Hα-helixtrans-61.8-47.4173.5-174.4178.9175.800112Q82 L88 G89Q82-E86 WeakPolarHBondContact O-CB 3.25Å; Q82-E86 PolarHBondContact O-N 3.23Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.32Å; E86-G89 PolarHBondContact O-N 3.25Å
87E84.5Confident77.4Confident168 Ų168113.9 Ų113.979%0.78562%0.624SS**Hα-helixtrans-66-29178.7-69.4-71.3153.800113.1A83 Q84A83-E87 VanDerWaalsContact O-CG 3.29Å; A83-E87 WeakPolarHBondContact O-CG 3.5Å; A83-E87 PolarHBondContact O-N 2.94Å; Q84-E87 PolarHBondContact O-N 3.46Å
88L81.7Confident75.1Confident126 Ų126113.8 Ų113.866%0.6663%0.629SS**THydrogen-bonded Turntrans-88.3-2.8178.6-65.7173.7000113.3Q84 E85 E86 I90Q84-L88 WeakPolarHBondContact O-CB 3.5Å; Q84-L88 VanDerWaalsContact O-CG 3.28Å; Q84-L88 WeakPolarHBondContact O-CG 3.39Å; Q84-L88 PolarHBondContact O-N 3.22Å; Q84-L88 VanDerWaalsContact O-N 3.11Å; E85-L88 PolarHBondContact O-N 3.12Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.32Å; L88-I90 HydrophobicContact CB-CD1 3.97Å; L88-I90 HydrophobicContact CB-CG1 4.06Å; L88-I90 WeakPolarHBondContact O-CG1 3.46Å; L88-I90 PolarHBondContact O-N 2.98Å
89G71.4Confident72.9Confident68 Ų68114.6 Ų114.670%0.70164%0.64SS**THydrogen-bonded Turntrans6613.7-178.500000114E85 E86 S91E85-G89 PolarHBondContact O-N 3.44Å; E86-G89 PolarHBondContact O-N 3.25Å; G89-S91 PolarHBondContact O-N 3.25Å
90I63.4Low70.5Confident107 Ų107114.3 Ų114.355%0.54965%0.65SS.*  trans-92.482.1-178.2-52.1169.6000107.4E85 L88E85-I90 PolarHBondContact O-N 3.34Å; E85-I90 VanDerWaalsContact O-N 3.17Å; L88-I90 HydrophobicContact CB-CD1 3.97Å; L88-I90 HydrophobicContact CB-CG1 4.06Å; L88-I90 WeakPolarHBondContact O-CG1 3.46Å; L88-I90 PolarHBondContact O-N 2.98Å
91S52.7Low68.4Low96 Ų96110.9 Ų110.967%0.67165%0.649SS**  trans86106.3160.7-33.10000117.2G89G89-S91 PolarHBondContact O-N 3.25Å
92A57.1Low66.3Low80 Ų80114.5 Ų114.566%0.66167%0.668SS**  trans-50.2147.1143.500000110.3V94A92-V94 PolarHBondContact O-N 3.13Å
93P55.8Low63.9Low113 Ų113114.9 Ų114.973%0.73468%0.677SS**  trans-57.8118.4168.325-31.5000107.6N95P93-N95 PolarHBondContact O-N 3.26Å
94V49.4Very low61.7Low116 Ų116120.7 Ų120.770%0.70369%0.694SS**  trans-59.198.1162.8173.70000105.3A92 L96A92-V94 PolarHBondContact O-N 3.13Å; V94-L96 HydrophobicContact CG1-CD2 3.76Å; V94-L96 HydrophobicContact CG1-CG 4.16Å; V94-L96 PolarHBondContact O-N 3.32Å
95N51.2Low59.2Low144 Ų144121.6 Ų121.677%0.7770%0.703SS**  trans-57.1104.4153.8-78.7-51.6000104.2P93 S97P93-N95 PolarHBondContact O-N 3.26Å; N95-S97 PolarHBondContact O-N 3.17Å
96L53.5Low57.1Low159 Ų159126.7 Ų126.783%0.83273%0.727SS**  trans-66.672.5159.1-64.6172.4000106.3V94 G98V94-L96 HydrophobicContact CG1-CD2 3.76Å; V94-L96 HydrophobicContact CG1-CG 4.16Å; V94-L96 PolarHBondContact O-N 3.32Å; L96-G98 PolarHBondContact O-N 3.5Å
97S53.2Low55Low107 Ų107124 Ų12475%0.74873%0.731SS**  trans-64.696.8153.3-177.30000104N95N95-S97 PolarHBondContact O-N 3.17Å
98G49.7Very low52.8Low55 Ų55120.8 Ų120.857%0.56773%0.734SS**  trans-51.4135.2179.500000109.6L96 D100L96-G98 PolarHBondContact O-N 3.5Å; G98-D100 PolarHBondContact O-N 3.27Å; G98-D100 VanDerWaalsContact O-N 3.13Å
99P51.8Low50.8Low111 Ų111118.8 Ų118.872%0.72174%0.735SS**  trans-68114.116428.3-27.4000106.2V101P99-V101 HydrophobicContact CB-CG2 4.24Å; P99-V101 HydrophobicContact CG-CG2 4.31Å; P99-V101 PolarHBondContact O-N 3.04Å
100D46.9Very low49.6Very low154 Ų154122.8 Ų122.882%0.82474%0.74SS**  trans-59.286.8158.6-152.4-14.5000106.3G98 M102G98-D100 PolarHBondContact O-N 3.27Å; G98-D100 VanDerWaalsContact O-N 3.13Å; D100-M102 VanDerWaalsContact C-N 3.33Å; D100-M102 PolarHBondContact O-N 3.34Å
101V51.8Low48.4Very low105 Ų105123.9 Ų123.964%0.63676%0.756SS**  trans-75.596.8173.9-178.30000105.5P99 V103P99-V101 HydrophobicContact CB-CG2 4.24Å; P99-V101 HydrophobicContact CG-CG2 4.31Å; P99-V101 PolarHBondContact O-N 3.04Å; V101-V103 VanDerWaalsContact C-N 3.26Å; V101-V103 HydrophobicContact CG1-CG2 3.94Å; V101-V103 PolarHBondContact O-N 3.3Å
102M54.4Low48Very low175 Ų175127.3 Ų127.386%0.86277%0.766SS**  trans-57.391.6163.8-63.7-171.477.200109.2D100 K104D100-M102 VanDerWaalsContact C-N 3.33Å; D100-M102 PolarHBondContact O-N 3.34Å; M102-K104 PolarHBondContact O-N 3.47Å
103V45.4Very low46.8Very low114 Ų114132.3 Ų132.369%0.69177%0.773SS**  trans-88.889.9157.4178.60000106.6V101 N105V101-V103 VanDerWaalsContact C-N 3.26Å; V101-V103 HydrophobicContact CG1-CG2 3.94Å; V101-V103 PolarHBondContact O-N 3.3Å; V103-N105 HydrophobicContact CG1-CB 4.5Å; V103-N105 PolarHBondContact O-N 3.48Å
104K49.2Very low46.1Very low171 Ų171132.5 Ų132.574%0.74378%0.777SS**  trans-67.4113.2155174.5169.2-179.6170.80106.4M102M102-K104 PolarHBondContact O-N 3.47Å
105N41.7Very low45.6Very low151 Ų151133.2 Ų133.281%0.80778%0.781SS**  trans-154.9104.4152.3-90-10.6000108V103V103-N105 HydrophobicContact CG1-CB 4.5Å; V103-N105 PolarHBondContact O-N 3.48Å
106E46.9Very low45.2Very low183 Ų183134.8 Ų134.886%0.85578%0.784SS**  trans-79.1127.5172.8-52.8-161124.600109.1
107A43.4Very low44.2Very low100 Ų100130.8 Ų130.883%0.82678%0.781SS**  170.8131.3128.300000111
108A38Very low43.5Very low102 Ų102136.6 Ų136.684%0.84379%0.787SS**  trans99.4114153.200000119.1
109A39.4Very low42.6Very low83 Ų83139.8 Ų139.869%0.68680%0.8SS**  trans75.890.6150.100000116.6
110D45.8Very low41.8Very low153 Ų153140 Ų14082%0.81881%0.805SS**  73.199.485.3-67.8-38.1000112.4
111C39.3Very low41.9Very low129 Ų129138.3 Ų138.387%0.87280%0.802SS**  177.2106.9114.4-84.70000110.2
112L45Very low40.9Very low169 Ų169139.2 Ų139.289%0.88581%0.813SS**  trans-60131.3159.9-88.7143.3000110.5
113F30.3Very low40Very low184 Ų184136.5 Ų136.581%0.80781%0.807SS**  -166.8114.9115.4-126-92000110.9V115F113-V115 HydrophobicContact CD1-CB 4.28Å; F113-V115 HydrophobicContact CE1-CB 4.35Å; F113-V115 HydrophobicContact CE1-CG2 4.3Å
114S41.6Very low39.5Very low118 Ų118137.7 Ų137.783%0.82581%0.809SS**  trans-93.5127.7150.7-83.50000107.3
115V40.1Very low38.8Very low130 Ų130137.7 Ų137.779%0.78881%0.809SS**  trans-135.1137.8149.9116.70000109.3F113F113-V115 HydrophobicContact CD1-CB 4.28Å; F113-V115 HydrophobicContact CE1-CB 4.35Å; F113-V115 HydrophobicContact CE1-CG2 4.3Å
116E41.2Very low38.4Very low178 Ų178136.3 Ų136.383%0.83281%0.812SS**  trans-77.5153.3-163.8-160.6151.114400113.6
117G33Very low37.9Very low75 Ų75135.2 Ų135.277%0.77381%0.806SS**  trans-178.391170.700000113.9
118R38.6Very low37.6Very low229 Ų229135.6 Ų135.686%0.86480%0.802SS**  trans-49.2135.4174.1-69.6170.7168.9-139.2-3113.7
119S31.1Very low37.5Very low121 Ų121136.6 Ų136.685%0.84680%0.803SS**  160.1123.1118.7-67.20000111.9
120S35.5Very low37.4Very low117 Ų117140.9 Ų140.982%0.81881%0.814SS**  trans-84.8178.8166.4-51.70000110.8
121P47.5Very low37Very low117 Ų117138.4 Ų138.476%0.7681%0.814SS**  -123.2161.5-51.633.3-18.4000110.5
122S32.3Very low37Very low124 Ų124138.9 Ų138.987%0.86781%0.813SS**  trans-151.8128.3158.2-82.60000112.5
123T35.2Very low36.7Very low119 Ų119136.5 Ų136.573%0.7381%0.81SS**  trans-42131.3168.745.60000114.2
124N34.5Very low36.9Very low139 Ų139131 Ų13174%0.74381%0.805SS**  174135.5111.1-87-22.9000112.8
125F33.9Very low36.7Very low171 Ų171130.6 Ų130.675%0.7580%0.803SS**  trans35.3118.2147.5-86.4-94.7000120H127F125-H127 AromaticContact CD1-CD2 3.95Å
126S33.2Very low36.7Very low122 Ų122135 Ų13585%0.85381%0.805SS**  trans-136.3113.1148.8-70.30000109.6
127H37.6Very low36.5Very low160 Ų160131.6 Ų131.674%0.74180%0.801SS**  trans-68.5133.3161.7-86.8-137.2000109.1F125F125-H127 AromaticContact CD1-CD2 3.95Å
128S36.8Very low36.9Very low107 Ų107133 Ų13375%0.74880%0.799SS**  trans-164.293.1155.6-74.30000106.7
129S34.8Very low36.8Very low123 Ų123127 Ų12786%0.8679%0.792SS**  63.684.595.3-58.80000112.4
130L37.9Very low37.1Very low174 Ų174126.2 Ų126.291%0.91179%0.786SS**  trans-94.1125.5168.3-74.8168.9000109.4V132L130-V132 PolarHBondContact O-N 3.3Å
131A38.1Very low37.1Very low100 Ų100126.2 Ų126.283%0.82679%0.787SS**  trans-63.4128.117500000110.8
132V38.2Very low36.7Very low139 Ų139126.1 Ų126.184%0.84279%0.789SS**  trans-91.2107.9170.259.10000108.4L130L130-V132 PolarHBondContact O-N 3.3Å
133S40.2Very low37.4Very low119 Ų119126.3 Ų126.383%0.83279%0.787SS**  trans-106.4106.7162.6-80.30000108
134G34.7Very low37.2Very low68 Ų68126.6 Ų126.670%0.70179%0.794SS**  trans-79.6130.2173.900000111.4
135S35.7Very low37.3Very low110 Ų110125.8 Ų125.877%0.76980%0.799SS**  trans-139.3110.9163.7-72.20000110
136R41.4Very low37.6Very low224 Ų224123 Ų12385%0.84580%0.801SS**  trans-28.9145159.557.7-161.1132.9-146.7-2.1118.5
137S36.3Very low37.6Very low106 Ų106122.5 Ų122.574%0.74180%0.797SS**  trans103.1111.4138.8-59.80000121.3
138S41.2Very low37.7Very low105 Ų105119.3 Ų119.373%0.73480%0.799SS**  51.1125.6128.753.70000124.4
139S37.2Very low38.1Very low103 Ų103125.6 Ų125.672%0.7281%0.806SS**  trans75.1116.7134.9590000123.3
140S37.4Very low38.8Very low103 Ų103124.7 Ų124.772%0.7280%0.797SS**  63.7132.8126.572.20000123.3
141S35.5Very low38.6Very low118 Ų118124.7 Ų124.783%0.82579%0.792SS**  trans105.5127.7139.8-53.20000118.8
142S39.1Very low38.6Very low114 Ų114124.7 Ų124.780%0.79779%0.786SS**  trans-61.9161.8-178-51.60000115.1
143P45.9Very low39.1Very low128 Ų128127.4 Ų127.483%0.83179%0.79SS**  trans-85.3141.2-173.433.4-32.3000112.8
144S31.5Very low39.7Very low126 Ų126125.4 Ų125.488%0.88179%0.788SS**  trans-105.1132.8161.9-63.90000109.7
145S37.3Very low40.3Very low122 Ų122127.2 Ų127.285%0.85379%0.785SS**  trans-76.8139.5-176.7-38.90000112.1
146S39.5Very low41.3Very low112 Ų112126.1 Ų126.178%0.78378%0.777SS**  trans-62.2142.8167.850.90000113.4
147S34.3Very low41.7Very low111 Ų111121.3 Ų121.378%0.77677%0.769SS**  145.4131.1102.6-150.40000113.6
148A38.7Very low42.8Very low94 Ų94122.6 Ų122.678%0.77777%0.767SS**  trans46121145.200000121.8
149R45.3Very low43.9Very low239 Ų239123.6 Ų123.690%0.90276%0.763SS**  trans-71.4162.6153.5-73.4-169172.9-142.7-1.8109.8
150P49.4Very low45.3Very low103 Ų103124 Ų12467%0.66976%0.757SS**  cis-150.717540.430.5-3.1000119
151H34.3Very low46.2Very low175 Ų175125.2 Ų125.281%0.8175%0.751SS**  trans99.3137.9157.2-58.9-72.3000122.7
152S36.8Very low47.2Very low99 Ų99122.9 Ų122.969%0.69273%0.731SS**  trans70.697.7161.667.20000121.6
153E49.6Very low48.5Very low197 Ų197120.5 Ų120.592%0.92172%0.715SS**  37.1119.7121.9-68.8164.2160.100119.7
154G52.4Low49.3Very low77 Ų77121.4 Ų121.479%0.79470%0.703SS**SBendtrans105.115143.700000119.8
155T48.1Very low50.6Low106 Ų106122.3 Ų122.365%0.6569%0.688SS**SBendtrans-131.3-15.8179.144.20000115.1
156S55.5Low51.6Low86 Ų86120.4 Ų120.460%0.60167%0.668SS**Hα-helixtrans-75.4-29.6-175.936.30000114.3L160S156-L160 VanDerWaalsContact O-CB 3.31Å; S156-L160 WeakPolarHBondContact O-CB 3.2Å; S156-L160 PolarHBondContact O-N 2.94Å
157D51Low52.1Low124 Ų124123.3 Ų123.366%0.66367%0.667SS**Hα-helixtrans-67.8-36.3178.6-87.2-53.4000112.3L159 L160 E161D157-L159 PolarHBondContact O-N 3.21Å; D157-L160 PolarHBondContact O-N 3.33Å; D157-E161 VanDerWaalsContact O-CB 3.26Å; D157-E161 WeakPolarHBondContact O-CB 3.44Å; D157-E161 PolarHBondContact O-N 3.4Å
158L58.8Low53.3Low133 Ų133126.2 Ų126.270%0.69666%0.662SS**Hα-helixtrans-70-35.8-179.7-157.3106000112.6T162L158-T162 WeakPolarHBondContact O-CB 3.49Å; L158-T162 PolarHBondContact O-N 2.86Å; L158-T162 PolarHBondContact O-OG1 3.29Å
159L64.3Low54.1Low125 Ų125128.4 Ų128.465%0.65466%0.656SS**Hα-helixtrans-74.3-34.8174.9-68.5178.5000111.7D157 T162 S163D157-L159 PolarHBondContact O-N 3.21Å; L159-T162 PolarHBondContact O-N 3.02Å; L159-S163 WeakPolarHBondContact O-CB 3.26Å; L159-S163 PolarHBondContact O-N 2.63Å; L159-S163 PolarHBondContact O-OG 3.14Å
160L66.3Low54.3Low113 Ų113123.3 Ų123.359%0.59264%0.643SS**Hα-helixtrans-67.6-43.9175-158.574.4000110.6S156 D157 T162 S163 Y164S156-L160 VanDerWaalsContact O-CB 3.31Å; S156-L160 WeakPolarHBondContact O-CB 3.2Å; S156-L160 PolarHBondContact O-N 2.94Å; D157-L160 PolarHBondContact O-N 3.33Å; L160-T162 VanDerWaalsContact C-N 3.34Å; L160-T162 PolarHBondContact O-N 3.5Å; L160-S163 PolarHBondContact O-N 2.97Å; L160-S163 PolarHBondContact O-OG 3.05Å; L160-Y164 VanDerWaalsContact O-CB 3.27Å; L160-Y164 WeakPolarHBondContact O-CB 3.31Å; L160-Y164 PolarHBondContact O-N 3.15Å
161E57.2Low54.5Low127 Ų127123.1 Ų123.159%0.59364%0.644SS**Hα-helixtrans-60.3-42.6173.6-164.7112.9174.700111.4D157 Y164 Y165D157-E161 VanDerWaalsContact O-CB 3.26Å; D157-E161 WeakPolarHBondContact O-CB 3.44Å; D157-E161 PolarHBondContact O-N 3.4Å; E161-Y164 PolarHBondContact O-N 3.2Å; E161-Y165 PolarHBondContact O-N 3.15Å
162T56.7Low55.2Low69 Ų69125.9 Ų125.942%0.42365%0.647SS.*Hα-helixtrans-63.1-44.3175.1-58.50000111.1L158 L159 L160 Y165 N166L158-T162 WeakPolarHBondContact O-CB 3.49Å; L158-T162 PolarHBondContact O-N 2.86Å; L158-T162 PolarHBondContact O-OG1 3.29Å; L159-T162 PolarHBondContact O-N 3.02Å; L160-T162 VanDerWaalsContact C-N 3.34Å; L160-T162 PolarHBondContact O-N 3.5Å; T162-Y165 PolarHBondContact O-N 3.44Å; T162-N166 WeakPolarHBondContact CG2-ND2 3.03Å; T162-N166 WeakPolarHBondContact O-CB 3.17Å; T162-N166 PolarHBondContact O-N 2.88Å; T162-N166 PolarHBondContact O-ND2 3.04Å
163S64.9Low55.7Low65 Ų65130.8 Ų130.846%0.45565%0.652SS.*Hα-helixtrans-68.5-34.9177.973.30000112.9L159 L160 F167L159-S163 WeakPolarHBondContact O-CB 3.26Å; L159-S163 PolarHBondContact O-N 2.63Å; L159-S163 PolarHBondContact O-OG 3.14Å; L160-S163 PolarHBondContact O-N 2.97Å; L160-S163 PolarHBondContact O-OG 3.05Å; S163-F167 WeakPolarHBondContact O-CB 3.46Å; S163-F167 PolarHBondContact O-N 3.5Å
164Y62.6Low56Low146 Ų146125.9 Ų125.957%0.57364%0.637SS**Hα-helixtrans-66.7-42.4176.7-177.6-102.3000111.3L160 E161 Y168L160-Y164 VanDerWaalsContact O-CB 3.27Å; L160-Y164 WeakPolarHBondContact O-CB 3.31Å; L160-Y164 PolarHBondContact O-N 3.15Å; E161-Y164 PolarHBondContact O-N 3.2Å; Y164-Y168 HydrophobicContact CE1-CD2 4.49Å; Y164-Y168 HydrophobicContact CE2-CD2 4.28Å; Y164-Y168 AromaticContact CE2-CE2 3.9Å; Y164-Y168 HydrophobicContact CE2-CE2 3.9Å; Y164-Y168 AromaticContact CZ-CE2 3.85Å; Y164-Y168 PolarHBondContact O-N 3.03Å
165Y60.3Low55.9Low146 Ų146127.6 Ų127.657%0.57363%0.634SS**Hα-helixtrans-71.3-37.6176-118.7-86000113.2E161 T162 Y168 Q169E161-Y165 PolarHBondContact O-N 3.15Å; T162-Y165 PolarHBondContact O-N 3.44Å; Y165-Y168 PolarHBondContact O-N 3.41Å; Y165-Q169 PolarHBondContact O-N 3.42Å; Y165-Q169 VanDerWaalsContact O-N 3.09Å
166N58.1Low56.1Low81 Ų81130 Ų13043%0.43363%0.633SS.*Hα-helixtrans-67.8-37177.2-84-85.4000111.9T162 Y168 Q169 Q170T162-N166 WeakPolarHBondContact CG2-ND2 3.03Å; T162-N166 WeakPolarHBondContact O-CB 3.17Å; T162-N166 PolarHBondContact O-N 2.88Å; T162-N166 PolarHBondContact O-ND2 3.04Å; N166-Y168 VanDerWaalsContact C-N 3.35Å; N166-Y168 PolarHBondContact O-N 2.79Å; N166-Q169 PolarHBondContact O-N 3.49Å; N166-Q170 PolarHBondContact O-N 3.41Å; N166-Q170 VanDerWaalsContact O-N 3.14Å; N166-Q170 PolarHBondContact O-OE1 2.65Å
167F50.3Low55.7Low173 Ų173132.5 Ų132.576%0.75963%0.63SS**Hα-helixtrans-68.1-33.3177-163.6-96.1000112.8S163S163-F167 WeakPolarHBondContact O-CB 3.46Å; S163-F167 PolarHBondContact O-N 3.5Å
168Y58.4Low55.6Low172 Ų172132.3 Ų132.368%0.67563%0.633SS**Hα-helixtrans-78-25.6175.4-97.5-86000114.1Y164 Y165 N166Y164-Y168 HydrophobicContact CE1-CD2 4.49Å; Y164-Y168 HydrophobicContact CE2-CD2 4.28Å; Y164-Y168 AromaticContact CE2-CE2 3.9Å; Y164-Y168 HydrophobicContact CE2-CE2 3.9Å; Y164-Y168 AromaticContact CZ-CE2 3.85Å; Y164-Y168 PolarHBondContact O-N 3.03Å; Y165-Y168 PolarHBondContact O-N 3.41Å; N166-Y168 VanDerWaalsContact C-N 3.35Å; N166-Y168 PolarHBondContact O-N 2.79Å
169Q55.4Low55.1Low140 Ų140132.3 Ų132.365%0.65463%0.634SS**Hα-helixtrans-84-23.3176.4-85.2-177.6-14.100113.8Y165 N166 S171Y165-Q169 PolarHBondContact O-N 3.42Å; Y165-Q169 VanDerWaalsContact O-N 3.09Å; N166-Q169 PolarHBondContact O-N 3.49Å; Q169-S171 PolarHBondContact O-N 3.32Å; Q169-S171 VanDerWaalsContact O-N 3.08Å
170Q49.9Very low54.3Low132 Ų132131.2 Ų131.262%0.61763%0.628SS**THydrogen-bonded Turntrans-72.4103.5173.3-114.284.9-9.300109.9N166N166-Q170 PolarHBondContact O-N 3.41Å; N166-Q170 VanDerWaalsContact O-N 3.14Å; N166-Q170 PolarHBondContact O-OE1 2.65Å
171S52.8Low53.5Low99 Ų99136.4 Ų136.469%0.69264%0.642SS**THydrogen-bonded Turntrans113.734.6148.5-51.10000120.6Q169Q169-S171 PolarHBondContact O-N 3.32Å; Q169-S171 VanDerWaalsContact O-N 3.08Å
172R50.1Low53Low234 Ų234136.9 Ų136.988%0.88365%0.648SS**SBendtrans-137.2-5.1159.5-68.3-63.7171.7154.42.1118.7
173Y47.9Very low52.5Low202 Ų202143.7 Ų143.779%0.79267%0.667SS**SBendtrans-117.6121.4175.9-95.7-93.2000112.5
174P54.6Low51.6Low94 Ų94145.8 Ų145.861%0.6168%0.68SS**  trans-59.1155.3171-22.733.5000112.3Y176P174-Y176 PolarHBondContact O-N 2.85Å
175P51.5Low50.4Low112 Ų112147.4 Ų147.473%0.72769%0.693SS**THydrogen-bonded Turntrans-71.515.3-16731.3-36.4000115.4Y177P175-Y177 PolarHBondContact O-N 2.83Å
176Y50.8Low49.8Very low158 Ų158150.7 Ų150.762%0.6271%0.705SS**THydrogen-bonded Turntrans-66-32.7-178.6155.7-116.3000113P174P174-Y176 PolarHBondContact O-N 2.85Å
177Y48.8Very low49.1Very low137 Ų137155.7 Ų155.754%0.53773%0.726SS.*SBendtrans-91.6-15.8-175-92.7-76.5000115.7P175 N179 L180P175-Y177 PolarHBondContact O-N 2.83Å; Y177-N179 PolarHBondContact O-N 2.77Å; Y177-L180 HydrophobicContact CD1-CD1 3.81Å; Y177-L180 HydrophobicContact CE1-CD1 3.99Å
178T47.6Very low48.8Very low121 Ų121155.2 Ų155.274%0.74273%0.726SS**THydrogen-bonded Turntrans-67.4-21.1-175.1-68.60000113.6
179N49Very low48.3Very low132 Ų132155.1 Ų155.171%0.70673%0.734SS**THydrogen-bonded Turntrans-95.40.1-175.3-87.3-78.3000115.4Y177Y177-N179 PolarHBondContact O-N 2.77Å
180L47.3Very low48Very low103 Ų103154.1 Ų154.154%0.53974%0.74SS.*THydrogen-bonded Turntrans-87.2-7.3-173.4-76.1159.7000115Y177Y177-L180 HydrophobicContact CD1-CD1 3.81Å; Y177-L180 HydrophobicContact CE1-CD1 3.99Å
181Y50.3Low47.6Very low222 Ų222156.3 Ų156.387%0.87175%0.75SS**THydrogen-bonded Turntrans-124.217.5-177.2-82.9-81.2000115Y183Y181-Y183 PolarHBondContact O-N 3.06Å; Y181-Y183 VanDerWaalsContact O-N 3.12Å
182N46.6Very low47Very low137 Ų137155.4 Ų155.473%0.73376%0.755SS**  trans-83.685.4168.3-158.8-54.1000109.3
183Y44.6Very low46.5Very low211 Ų211151.4 Ų151.483%0.82775%0.752SS**  trans-75.6122.9168.6-128.6-92.2000107.8Y181 Q185Y181-Y183 PolarHBondContact O-N 3.06Å; Y181-Y183 VanDerWaalsContact O-N 3.12Å; Y183-Q185 PolarHBondContact O-N 3.16Å
184P46.9Very low46Very low109 Ų109146.9 Ų146.971%0.70875%0.75SS**  trans-68.81051722.38.7000108.7Y186P184-Y186 PolarHBondContact O-N 3.47Å
185Q37.9Very low45.5Very low181 Ų181154 Ų15485%0.84676%0.764SS**  trans-65.6122.6168.8-165.4148.3-48.700108.3Y183 Q187Y183-Q185 PolarHBondContact O-N 3.16Å; Q185-Q187 PolarHBondContact O-N 3.43Å
186Y46.4Very low45Very low214 Ų214156.5 Ų156.584%0.83977%0.771SS**  trans-47.8104.7174.5-89.9-104.2000110.9P184 Q188P184-Y186 PolarHBondContact O-N 3.47Å; Y186-Q188 PolarHBondContact O-N 3.29Å; Y186-Q188 VanDerWaalsContact O-N 3.1Å
187Q44.2Very low45.1Very low187 Ų187154.5 Ų154.587%0.87478%0.777SS**  trans-7990.4167-159.793.924.300107.8Q185Q185-Q187 PolarHBondContact O-N 3.43Å
188Q43.6Very low44.7Very low163 Ų163153 Ų15376%0.76279%0.787SS**PPolyproline II helixtrans-67.1131167.5-65.1174.432.500109Y186Y186-Q188 PolarHBondContact O-N 3.29Å; Y186-Q188 VanDerWaalsContact O-N 3.1Å
189M47.4Very low44.7Very low170 Ų170156.6 Ų156.684%0.83780%0.795SS**PPolyproline II helixtrans-91.2146.2166.1-71.2-142.996.500110.1
190P50.6Low44.4Very low119 Ų119153.7 Ų153.777%0.77380%0.796SS**PPolyproline II helixtrans-78.8145.7-17327.5-24.7000112.7
191H41.2Very low44.4Very low178 Ų178155.9 Ų155.982%0.82481%0.813SS**PPolyproline II helixtrans-60.8136.2-177.3-63.6-87.9000113.5
192G39.2Very low43.9Very low79 Ų79150.9 Ų150.981%0.81481%0.811SS**  trans-132.199.6161.200000108.7
193D39.5Very low43.6Very low151 Ų151149.9 Ų149.981%0.80782%0.815SS**  trans-64.2131.7175.3-73-57.5000111.3
194S36.9Very low43.6Very low107 Ų107148 Ų14875%0.74881%0.814SS**  171106.3129.1-76.40000113.3
195R46.1Very low43.1Very low243 Ų243152.3 Ų152.392%0.91782%0.817SS**  trans61.6105.5141-55.1-172.9-174.4-119.40.9119.7
196L40.9Very low43.8Very low165 Ų165152.6 Ų152.686%0.86481%0.81SS**  trans-54162.3158.3-68.3-176.4000112.5
197P50.9Low43.9Very low116 Ų116148.7 Ų148.775%0.75380%0.802SS**  cis-149.8159.342.132.9-8.2000120.7
198S40.5Very low43.8Very low106 Ų106146.1 Ų146.174%0.74179%0.789SS**  trans49.1113.7153.3-76.10000119.9
199H47.6Very low43.7Very low195 Ų195143.8 Ų143.890%0.90379%0.791SS**  -168.8118119.7-100.5-73.7000109.1
200G43.9Very low43.7Very low72 Ų72146.3 Ų146.374%0.74279%0.793SS**  trans-80.7136176.700000111.8
201V46.5Very low43.4Very low148 Ų148151.1 Ų151.190%0.89780%0.797SS**  trans-143.4119.9151.3-77.10000108.8
202S39.6Very low44Very low117 Ų117148.9 Ų148.982%0.81880%0.798SS**  trans-71.3134-176.5179.20000111.5Q204S202-Q204 PolarHBondContact O-N 3.39Å
203S41.8Very low44Very low116 Ų116148.6 Ų148.681%0.81180%0.795SS**  trans-71.2120.5174.1-163.30000109.9Y205S203-Y205 PolarHBondContact O-N 3Å
204Q44.4Very low44.2Very low173 Ų173146.4 Ų146.481%0.80880%0.798SS**  trans-71.599.4-174.8-66.4-154-7.300112.4S202 R206S202-Q204 PolarHBondContact O-N 3.39Å; Q204-R206 PolarHBondContact O-N 3.32Å
205Y36.4Very low44.6Very low198 Ų198146.4 Ų146.478%0.77679%0.794SS**  trans-77.199.8158.9-169.1-111000109S203 M207S203-Y205 PolarHBondContact O-N 3Å; Y205-M207 HydrophobicContact CD1-CG 3.66Å; Y205-M207 HydrophobicContact CE1-CB 4.39Å; Y205-M207 HydrophobicContact CE1-CG 3.12Å; Y205-M207 HydrophobicContact CE1-SD 3.94Å; Y205-M207 PolarHBondContact O-N 3.32Å
206R51.5Low44.4Very low187 Ų187144 Ų14471%0.70679%0.786SS**  trans-88.885.6179-173.7175-177.71312.3110.4Q204 H208Q204-R206 PolarHBondContact O-N 3.32Å; R206-H208 PolarHBondContact NE-CE1 3.47Å; R206-H208 PolarHBondContact NE-NE2 2.92Å; R206-H208 PolarHBondContact NH2-CE1 3.22Å; R206-H208 VanDerWaalsContact NH2-CE1 3.27Å; R206-H208 PolarHBondContact NH2-NE2 3.27Å
207M48.4Very low44.6Very low133 Ų133143.1 Ų143.166%0.65578%0.781SS**  trans-81.4115163.5-79.3-72.6-77.600109.5Y205 S209Y205-M207 HydrophobicContact CD1-CG 3.66Å; Y205-M207 HydrophobicContact CE1-CB 4.39Å; Y205-M207 HydrophobicContact CE1-CG 3.12Å; Y205-M207 HydrophobicContact CE1-SD 3.94Å; Y205-M207 PolarHBondContact O-N 3.32Å; M207-S209 PolarHBondContact O-N 3.05Å
208H41.9Very low43.9Very low133 Ų133144.2 Ų144.262%0.61679%0.786SS**  trans-84.797173.6-84.9-23.1000111R206R206-H208 PolarHBondContact NE-CE1 3.47Å; R206-H208 PolarHBondContact NE-NE2 2.92Å; R206-H208 PolarHBondContact NH2-CE1 3.22Å; R206-H208 VanDerWaalsContact NH2-CE1 3.27Å; R206-H208 PolarHBondContact NH2-NE2 3.27Å
209S41.7Very low44.1Very low113 Ų113147.3 Ų147.379%0.7979%0.789SS**  trans-69.7121.5162.7-56.40000109.7M207 Y211M207-S209 PolarHBondContact O-N 3.05Å; S209-Y211 PolarHBondContact O-N 2.96Å; S209-Y211 VanDerWaalsContact O-N 3.13Å
210Y47.5Very low43.7Very low224 Ų224141.9 Ų141.988%0.87879%0.785SS**SBendtrans-66.9100.8169.5-89.3-103.4000109.3
211Y44Very low43.7Very low219 Ų219147.2 Ų147.286%0.85980%0.796SS**  trans172.9114143.7-111.6-85.1000109.4S209S209-Y211 PolarHBondContact O-N 2.96Å; S209-Y211 VanDerWaalsContact O-N 3.13Å
212P54Low43.2Very low131 Ų131143.3 Ų143.385%0.85179%0.786SS**  trans-91.6106.91666.612.7000109.3
213G40.7Very low43Very low73 Ų73143.1 Ų143.175%0.75378%0.784SS**PPolyproline II helixtrans-76.8126.916400000110.1
214A41.9Very low42.9Very low105 Ų105143.4 Ų143.487%0.86878%0.781SS**PPolyproline II helixtrans-75.7139.5179.800000111.9
215T45.5Very low42.7Very low108 Ų108141.2 Ų141.266%0.66378%0.78SS**PPolyproline II helixtrans-76118.6178.440.30000112.9
216Y43.3Very low42.5Very low192 Ų192137.6 Ų137.675%0.75378%0.782SS**  trans28.4125.1144.559.5-98.5000122.7
217L44.7Very low42Very low147 Ų147135.1 Ų135.177%0.7779%0.788SS**  trans57.1116.9130.6-79.2158.4000122.4Q219L217-Q219 HydrophobicContact CD2-CG 4.36Å
218T36.4Very low42.6Very low139 Ų139133.9 Ų133.985%0.85379%0.789SS**  -146.1149.2121.8-172.80000111.2
219Q45.1Very low43Very low171 Ų171132.4 Ų132.480%0.79979%0.792SS**  trans-91.2145.5-165.5-65.5137.660.900111.8L217L217-Q219 HydrophobicContact CD2-CG 4.36Å
220G38.5Very low43Very low80 Ų80135.7 Ų135.783%0.82579%0.792SS**  trans-170.1122.8169.800000111.7
221L43.6Very low42.3Very low185 Ų185131.8 Ų131.897%0.96979%0.791SS**  trans-83.5158.9-161.6-62.8155.9000114.6
222G35.8Very low41.9Very low66 Ų66127 Ų12768%0.6879%0.789SS**  trans115.510115300000114.1
223S36.1Very low41.4Very low112 Ų112129 Ų12978%0.78379%0.792SS**  111107.678.2-73.50000111.2
224T39.5Very low41.7Very low123 Ų123133.8 Ų133.876%0.75580%0.795SS**  trans53.4122.2137.875.60000121.3
225T39.2Very low41.4Very low127 Ų127137 Ų13778%0.77979%0.792SS**  trans65.6115.8130.8-47.90000118.2
226C33.4Very low40.9Very low122 Ų122138.1 Ų138.182%0.82479%0.794SS**  170123.9123.3-86.90000110.5
227V41.7Very low40.3Very low135 Ų135136.5 Ų136.582%0.81880%0.798SS**  trans-100.9173.6159.5-161.70000107
228P60.6Low39.5Very low106 Ų106134.2 Ų134.269%0.68880%0.795SS**  -98.3-167.2-102.237.4-17.1000112.1
229P50.8Low39.1Very low103 Ų103133.3 Ų133.367%0.66979%0.792SS**  -151.6166100.327.1-3.8000117.9
230F39.8Very low38.6Very low182 Ų182130.4 Ų130.480%0.79879%0.791SS**  trans-36.2150162.260.4-85000117.3
231V34.7Very low38.3Very low142 Ų142134.7 Ų134.786%0.86179%0.79SS**  trans-150.8122.6140.9-78.30000110.3
232S34.6Very low37.9Very low117 Ų117131.5 Ų131.582%0.81878%0.778SS**  trans-75.3141.3155.8-82.30000108.9
233L42.6Very low38Very low174 Ų174136.1 Ų136.191%0.91178%0.784SS**  trans-132.3119.1149.1-165.895.3000107.5
234E48.6Very low38Very low174 Ų174135.2 Ų135.281%0.81378%0.783SS**  trans-67154.1170.6-52.2-166.9115.100110.4
235E34.5Very low37.6Very low172 Ų172133.1 Ų133.180%0.80479%0.786SS**  169.1112.9116.3-166.5159.9122.600111.2
236N34.7Very low37.4Very low131 Ų131131.8 Ų131.870%0.70178%0.782SS**  trans36.3121.9141.7-64.1-45.4000120.8
237N31.1Very low37.3Very low159 Ų159136.4 Ų136.485%0.8579%0.789SS**  -164.611696.2-97.7-58.2000112.9
238S28.2Very low37Very low99 Ų99135.4 Ų135.469%0.69279%0.787SS**  trans56.3104.5138.2-128.20000119
239C28.9Very low36.3Very low119 Ų119136.1 Ų136.180%0.80479%0.792SS**  70.3130.382.1-62.60000112.6
240S32.8Very low35.5Very low110 Ų110137.5 Ų137.577%0.76980%0.799SS**  cis-158145.317.6-46.90000106.9
241E33.5Very low35.2Very low171 Ų171133.4 Ų133.480%0.79979%0.793SS**  53.3128.552.3-156.2168.9161.300116.9
242T34.5Very low35.3Very low118 Ų118137 Ų13772%0.72479%0.792SS**  trans152.2133.2139.744.80000108.9
243M39.2Very low35.1Very low162 Ų162138 Ų13880%0.79879%0.789SS**  cis-144.1134.16.1-70.5-68.6-155.800105.9
244A34.7Very low35.3Very low93 Ų93134.9 Ų134.977%0.76978%0.781SS**  61.1118.27500000114.9
245G32.3Very low35Very low79 Ų79132.7 Ų132.781%0.81478%0.78SS**  trans-175.972.1174.200000110.1
246S34.9Very low35.7Very low100 Ų100133.2 Ų133.270%0.69979%0.785SS**  trans-71.6139.7179.3-49.70000112.5
247F30.1Very low36.3Very low219 Ų219133.5 Ų133.596%0.96179%0.792SS**  trans-151.7138.3140.1-74-66000110.5
248S35.5Very low36.6Very low113 Ų113131.3 Ų131.379%0.7979%0.787SS**  trans-72.8168-172.7-68.50000114.9
249P46.6Very low37.2Very low121 Ų121139 Ų13979%0.78680%0.801SS**  trans-93.4151.6-166.836.1-30.7000113
250T32.8Very low37.8Very low133 Ų133138.4 Ų138.482%0.81680%0.798SS**  trans-135.3105.3165.7-150000109.6
251S35.2Very low38.2Very low96 Ų96141.3 Ų141.367%0.67180%0.802SS**  24.3140.8128.7-173.40000120.3
252Y36.5Very low38.2Very low216 Ų216138.7 Ų138.785%0.84780%0.802SS**  trans72144.1157.192.6-98000117.5
253D29.8Very low38.3Very low140 Ų140137.3 Ų137.375%0.74980%0.803SS**  cis-158.8155.1-5.1-174.315.1000107.4
254S47.5Very low38.4Very low107 Ų107138.2 Ų138.275%0.74881%0.81SS**  trans-79.4126.6174.7-690000111.5
255T41.8Very low38.6Very low129 Ų129139.3 Ų139.379%0.79181%0.807SS**  trans-143.9122.8154.133.60000112.5
256M50Low39.1Very low182 Ų182143.7 Ų143.790%0.89781%0.811SS**  trans-62.5133.6166.7-74.3-85.5124.200110.7
257T45.5Very low39.3Very low138 Ų138144.9 Ų144.985%0.84781%0.809SS**  trans-150.6105.8152.4-9.50000111
258C38.9Very low39.8Very low113 Ų113141.9 Ų141.976%0.76480%0.803SS**  trans-87.8134.7162.945.80000109
259R39.2Very low40Very low260 Ų260143.8 Ų143.898%0.98180%0.804SS**  trans-168.2147149.8-104.7163.1-171.1-147.91.7110.5
260S41.5Very low39.6Very low107 Ų107146.9 Ų146.975%0.74881%0.806SS**  trans-124.3150.1-156.2-143.10000111.6
261M42.1Very low40.1Very low171 Ų171144.7 Ų144.784%0.84280%0.801SS**  trans66.7127.9150.4-40-146.280.200122.6
262S34.6Very low39.9Very low115 Ų115149 Ų14980%0.80481%0.81SS**  176.7110.6127.2-74.40000108.7
263A35.2Very low39.7Very low89 Ų89144.3 Ų144.374%0.73681%0.808SS**  74.6102.685.500000113.4
264L41.9Very low39.8Very low181 Ų181147.1 Ų147.195%0.94882%0.817SS**  trans-126.6122.1152.8-71.5178.5000108.6
265V39.4Very low39.5Very low117 Ų117147 Ų14771%0.70982%0.822SS**  trans-82.6135.1178.1-178.80000107.7
266L42.3Very low39.1Very low170 Ų170144.3 Ų144.389%0.8982%0.821SS**  trans-147.5107151.1-105.6156.7000107.2
267N38.3Very low38.6Very low125 Ų125139.8 Ų139.867%0.66882%0.82SS**  trans-76139.7164.3-62.1-50.1000107.7
268D40.1Very low38.4Very low157 Ų157142.5 Ų142.584%0.8482%0.823SS**  trans-141.197.3150.7-135.1-67.2000107.3
269D40.9Very low38.5Very low152 Ų152142 Ų14281%0.81383%0.827SS**  trans-84.8118.2166.3-90.7-73.3000107.7
270K38.5Very low38.6Very low187 Ų187134.8 Ų134.881%0.81382%0.823SS**  trans-141.6111.2153.1-167.1172.6177.4-176.80110.7
271A43.2Very low38.8Very low87 Ų87135.3 Ų135.372%0.71983%0.827SS**  trans-65147.8172.400000112.2
272E31Very low38.4Very low185 Ų185136.1 Ų136.186%0.86483%0.826SS**  -162.8127.9128-112173.1137.800110.8
273C32.8Very low38.7Very low119 Ų119135.5 Ų135.580%0.80482%0.818SS**  trans-86132.7170.153.90000109
274E31.8Very low39.1Very low198 Ų198137.8 Ų137.893%0.92582%0.822SS**  trans-141.1132.9151-90.7-144128.300111.2
275A40Very low39.3Very low105 Ų105136.2 Ų136.287%0.86882%0.815SS**  trans-80.5139.3172.200000109.4
276G33.3Very low39.3Very low73 Ų73136.1 Ų136.175%0.75382%0.815SS**  trans-159.573175.500000111.2Q278G276-Q278 PolarHBondContact O-N 3.31Å
277G39.8Very low40Very low86 Ų86135.8 Ų135.889%0.88781%0.812SS**  trans-73.2107.9166.200000109.6
278Q40.8Very low40.7Very low195 Ų195135.5 Ų135.591%0.91182%0.815SS**  trans-90.3115165.5-86.2-177.746.700109.6G276G276-Q278 PolarHBondContact O-N 3.31Å
279A41Very low40.8Very low103 Ų103131.9 Ų131.985%0.85181%0.814SS**  trans-67.2123.2165.700000109.6
280A42.4Very low41.3Very low108 Ų108131.6 Ų131.689%0.89381%0.813SS**  trans-99.6102.8164.400000108.2
281S45.3Very low42.2Very low118 Ų118129.3 Ų129.383%0.82582%0.815SS**  trans-79.5135.1164.165.20000109.7
282F34.2Very low42.8Very low189 Ų189130.2 Ų130.283%0.82982%0.816SS**  trans-163.9101.5157.8150.4-106.4000110.4
283T39.8Very low43.3Very low102 Ų102133 Ų13363%0.62684%0.837SS**  trans37.4116.5149.147.30000121.9
284V43.5Very low43.8Very low136 Ų136133.7 Ų133.782%0.82484%0.838SS**  trans-94.1115.7153.2171.70000107.6T286V284-T286 PolarHBondContact O-N 3.13Å
285D45.8Very low44.5Very low149 Ų149130.3 Ų130.380%0.79783%0.834SS**  trans-71.2124.4169.6-89.2-48.8000110.3
286T40.6Very low44.7Very low115 Ų115131.7 Ų131.771%0.70683%0.832SS**  trans-88.3111.9172.5-61.80000107.9V284 T288V284-T286 PolarHBondContact O-N 3.13Å; T286-T288 HydrophobicContact CG2-CG2 4.33Å
287I57Low45.4Very low163 Ų163135.2 Ų135.284%0.83684%0.836SS**  trans-91.999.1164-58174.6000106.5
288T51.7Low45.7Very low119 Ų119138.3 Ų138.373%0.7383%0.833SS**  trans-59.4138.9165.929.70000110.6T286T286-T288 HydrophobicContact CG2-CG2 4.33Å
289G44.2Very low46.1Very low80 Ų80134.5 Ų134.583%0.82583%0.828SS**  trans-68157.4176.200000113.4
290D49.4Very low46.4Very low147 Ų147136.7 Ų136.779%0.78683%0.826SS**  trans-130.9130154.9-154.8-23.2000108.3
291T58.3Low46.7Very low138 Ų138138.9 Ų138.985%0.84782%0.821SS**  trans-122.511317425.80000105
292S55.7Low46.9Very low106 Ų106140.7 Ų140.774%0.74182%0.821SS**  trans-166.9127151.344.90000112.3
293N42.2Very low48Very low244 Ų244136.3 Ų136.3100%1.30582%0.82SS**  trans48.70159.6-86.3-11.1000121.1

Retrieved 293 of 293 residues in 948.6 ms (Link to these results)