A0A077YYW2_TRITR Loading...

CHCH domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYW2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 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
1M39.3Very low58.4Low223 Ų223145.9 Ų145.9100%1.09977%0.767SS**  0118.20-75.570.2176.800105.9
2A44Very low59.8Low103 Ų103145.5 Ų145.585%0.85176%0.764SS**  trans-92.9104.7174.600000106D4A2-D4 PolarHBondContact O-N 2.85Å
3D53.6Low60.8Low145 Ų145139.8 Ų139.878%0.77573%0.733SS**  trans-76.1101.6178.7-69.1-65.8000109Y5D3-Y5 PolarHBondContact O-N 3.19Å
4D51.3Low62.1Low154 Ų154143 Ų14382%0.82474%0.738SS**  trans-8191.2168.1-176-109.1000108.4A2A2-D4 PolarHBondContact O-N 2.85Å
5Y48Very low63.1Low220 Ų220138.9 Ų138.986%0.86372%0.722SS**  trans-151.2106.8163.9-92.3-91.6000105.5D3D3-Y5 PolarHBondContact O-N 3.19Å
6D58.9Low64.4Low99 Ų99134.4 Ų134.453%0.52970%0.703SS.*  -169.1116.7123.8-140.76.8000114.7S8D6-S8 VanDerWaalsContact CG-N 3.3Å; D6-S8 VanDerWaalsContact CG-OG 3.28Å; D6-S8 VanDerWaalsContact OD1-CA 3.32Å; D6-S8 WeakPolarHBondContact OD1-CA 3.34Å; D6-S8 WeakPolarHBondContact OD1-CB 3.42Å; D6-S8 PolarHBondContact OD1-N 3.3Å; D6-S8 PolarHBondContact OD1-OG 3.45Å; D6-S8 VanDerWaalsContact OD1-OG 3.12Å; D6-S8 WeakPolarHBondContact OD2-CB 3.38Å; D6-S8 PolarHBondContact OD2-OG 3.35Å
7S59.6Low65.6Low133 Ų133136.1 Ų136.193%0.9370%0.703SS**  trans-102.410.4154.752.30000111.4
8S67.8Low66.4Low57 Ų57135.5 Ų135.540%0.39970%0.697SS.*SBendtrans-79.7148.7169.5110.20000111D6 D10D6-S8 VanDerWaalsContact CG-N 3.3Å; D6-S8 VanDerWaalsContact CG-OG 3.28Å; D6-S8 VanDerWaalsContact OD1-CA 3.32Å; D6-S8 WeakPolarHBondContact OD1-CA 3.34Å; D6-S8 WeakPolarHBondContact OD1-CB 3.42Å; D6-S8 PolarHBondContact OD1-N 3.3Å; D6-S8 PolarHBondContact OD1-OG 3.45Å; D6-S8 VanDerWaalsContact OD1-OG 3.12Å; D6-S8 WeakPolarHBondContact OD2-CB 3.38Å; D6-S8 PolarHBondContact OD2-OG 3.35Å; S8-D10 PolarHBondContact O-N 2.59Å; S8-D10 PolarHBondContact OG-N 2.9Å; S8-D10 VanDerWaalsContact OG-N 3.12Å; S8-D10 PolarHBondContact OG-O 3.12Å
9K71.4Confident66.8Low203 Ų203133.6 Ų133.688%0.88369%0.685SS**SBendtrans-75.1-11.5176.7-64.8-179.1179.5177.60111.8
10D77.1Confident67.3Low123 Ų123134.9 Ų134.966%0.65869%0.687SS**  trans-104.7110.5-167.1-59.9-49.3000110.6S8S8-D10 PolarHBondContact O-N 2.59Å; S8-D10 PolarHBondContact OG-N 2.9Å; S8-D10 VanDerWaalsContact OG-N 3.12Å; S8-D10 PolarHBondContact OG-O 3.12Å
11K72Confident67.8Low145 Ų145136.2 Ų136.263%0.6369%0.691SS**  trans-92114.2174.3-63.7-174.8-176.7-178.10110.2
12I74.8Confident69.3Low141 Ų141130.1 Ų130.172%0.72366%0.662SS**  trans-89.4119.1174.3-57.4174.6000109.2F14I12-F14 HydrophobicContact CG2-CD2 4.49Å; I12-F14 HydrophobicContact CG2-CE2 3.94Å; I12-F14 HydrophobicContact CG2-CZ 4.01Å
13I73.1Confident70.6Confident71 Ų71130 Ų13036%0.36465%0.653SS.*  trans-116.3122.1178.2-54.5148.1000108.7V15 A30 L31I13-V15 HydrophobicContact CG2-CG2 4.14Å; I13-A30 WeakPolarHBondContact CD1-O 3.1Å; I13-A30 HydrophobicContact CG2-CB 4.28Å; I13-L31 HydrophobicContact CD1-CD2 3.9Å
14F79.1Confident71.3Confident185 Ų185129.6 Ų129.681%0.81165%0.65SS**  trans-87.3123.8173-64.9-83.9000109.8I12I12-F14 HydrophobicContact CG2-CD2 4.49Å; I12-F14 HydrophobicContact CG2-CE2 3.94Å; I12-F14 HydrophobicContact CG2-CZ 4.01Å
15V76.9Confident71.9Confident81 Ų81129.7 Ų129.749%0.49164%0.638SS.*  trans-115.2131.5-176.6-176.40000109I13 Q19 Q20I13-V15 HydrophobicContact CG2-CG2 4.14Å; V15-Q19 HydrophobicContact CG1-CB 3.48Å; V15-Q19 VanDerWaalsContact CG1-CB 3.48Å; V15-Q20 HydrophobicContact CG1-CB 4.32Å
16T83.9Confident72.6Confident68 Ų68126 Ų12642%0.41764%0.642SS.*  trans-77.5163.6173.580.20000111.4E18 Q19 Q20T16-E18 VanDerWaalsContact CB-OE2 3.22Å; T16-E18 WeakPolarHBondContact CB-OE2 3.39Å; T16-E18 PolarHBondContact O-N 3.12Å; T16-E18 PolarHBondContact OG1-OE2 2.83Å; T16-Q19 PolarHBondContact O-N 3.3Å; T16-Q19 VanDerWaalsContact O-N 3.11Å; T16-Q19 PolarHBondContact OG1-N 3.08Å; T16-Q20 PolarHBondContact O-N 3.18Å
17K85.4Confident72.5Confident162 Ų162126.9 Ų126.970%0.70465%0.646SS**Hα-helixtrans-58.6-33.4179-71.8-175.8178.1179.40112.4
18E79.9Confident72.5Confident126 Ų126123.7 Ų123.759%0.58962%0.621SS**Hα-helixtrans-72.6-38.4179.2-55.669.4-145.800110.8T16 Q20 Q21T16-E18 VanDerWaalsContact CB-OE2 3.22Å; T16-E18 WeakPolarHBondContact CB-OE2 3.39Å; T16-E18 PolarHBondContact O-N 3.12Å; T16-E18 PolarHBondContact OG1-OE2 2.83Å; E18-Q20 VanDerWaalsContact C-N 3.32Å; E18-Q20 PolarHBondContact O-N 3.04Å; E18-Q21 PolarHBondContact O-N 3.34Å
19Q73.2Confident72Confident100 Ų100124.7 Ų124.747%0.46763%0.633SS.*Hα-helixtrans-69.4-30.4177.1-69174.8-39.200112.3V15 T16 Q21 I22V15-Q19 HydrophobicContact CG1-CB 3.48Å; V15-Q19 VanDerWaalsContact CG1-CB 3.48Å; T16-Q19 PolarHBondContact O-N 3.3Å; T16-Q19 VanDerWaalsContact O-N 3.11Å; T16-Q19 PolarHBondContact OG1-N 3.08Å; Q19-Q21 VanDerWaalsContact C-N 3.26Å; Q19-Q21 PolarHBondContact O-N 3.24Å; Q19-I22 PolarHBondContact O-N 3.06Å
20Q76.1Confident71.2Confident158 Ų158118 Ų11874%0.73862%0.615SS**Hα-helixtrans-68.8-22.9175.6-167.6177.810.600113.2V15 T16 E18 I22V15-Q20 HydrophobicContact CG1-CB 4.32Å; T16-Q20 PolarHBondContact O-N 3.18Å; E18-Q20 VanDerWaalsContact C-N 3.32Å; E18-Q20 PolarHBondContact O-N 3.04Å; Q20-I22 VanDerWaalsContact C-N 3.35Å
21Q78.4Confident70.3Confident164 Ų164116 Ų11677%0.76660%0.604SS**THydrogen-bonded Turntrans-83.5-11.8178.5-68178.56.500113.3E18 Q19E18-Q21 PolarHBondContact O-N 3.34Å; Q19-Q21 VanDerWaalsContact C-N 3.26Å; Q19-Q21 PolarHBondContact O-N 3.24Å
22I70.7Confident69.5Low95 Ų95112.1 Ų112.149%0.48760%0.595SS.*SBendtrans-85.9125.7178.1-55.8167.6000107.4Q19 Q20 L24Q19-I22 PolarHBondContact O-N 3.06Å; Q20-I22 VanDerWaalsContact C-N 3.35Å; I22-L24 PolarHBondContact O-N 2.88Å
23P71.9Confident68.7Low101 Ų101111.1 Ų111.166%0.65659%0.59SS**  trans-53.3132.8173.8-23.431.6000109.8R25P23-R25 PolarHBondContact O-N 3.3Å
24L67.8Low67.7Low136 Ų136112 Ų11271%0.71260%0.602SS**  trans-60.7109.5177.8-57.6-174.3000108.1I22 L31I22-L24 PolarHBondContact O-N 2.88Å; L24-L31 HydrophobicContact CD1-CD1 4.22Å; L24-L31 HydrophobicContact CD2-CD1 3.37Å; L24-L31 HydrophobicContact CG-CD1 4.24Å
25R64.3Low66.5Low155 Ų155107.9 Ų107.959%0.58559%0.592SS**  trans-93.8148.3173.9-64.8-176.1-163.3-179.33.3108.5P23 D27 V28P23-R25 PolarHBondContact O-N 3.3Å; R25-D27 WeakPolarHBondContact CB-OD1 3.35Å; R25-D27 PolarHBondContact O-N 3.05Å; R25-V28 HydrophobicContact CB-CG2 4.33Å; R25-V28 WeakPolarHBondContact O-CG2 3.36Å; R25-V28 PolarHBondContact O-N 3.26Å
26P61.5Low65.4Low144 Ų144108.2 Ų108.294%0.93560%0.595SS**THydrogen-bonded Turntrans-63.9-11.7178.325-33.3000113.5
27D57.6Low64Low117 Ų117112.4 Ų112.463%0.62662%0.615SS**THydrogen-bonded Turntrans-88.2-5.9-178.967.4-22.4000114.5R25 A29R25-D27 WeakPolarHBondContact CB-OD1 3.35Å; R25-D27 PolarHBondContact O-N 3.05Å; D27-A29 PolarHBondContact O-N 3.18Å
28V60.1Low62.6Low65 Ų65111.4 Ų111.439%0.39462%0.617SS.*  trans-7896.1176.7-131.70000109.8R25 A30 L31 S32R25-V28 HydrophobicContact CB-CG2 4.33Å; R25-V28 WeakPolarHBondContact O-CG2 3.36Å; R25-V28 PolarHBondContact O-N 3.26Å; V28-A30 PolarHBondContact O-N 3.1Å; V28-L31 PolarHBondContact O-N 3.12Å; V28-S32 PolarHBondContact O-N 3.11Å
29A56.1Low61.7Low79 Ų79112.5 Ų112.565%0.65362%0.622SS**G310 helixtrans-53-22.2179.100000114.5D27 L31 S32D27-A29 PolarHBondContact O-N 3.18Å; A29-L31 VanDerWaalsContact C-N 3.28Å; A29-L31 PolarHBondContact O-N 3.16Å; A29-S32 PolarHBondContact O-N 3.47Å; A29-S32 PolarHBondContact O-OG 2.86Å
30A56.4Low61.6Low61 Ų61110.3 Ų110.350%0.50462%0.618SS.*G310 helixtrans-66-31.9173.800000112.3I13 V28I13-A30 WeakPolarHBondContact CD1-O 3.1Å; I13-A30 HydrophobicContact CG2-CB 4.28Å; V28-A30 PolarHBondContact O-N 3.1Å
31L57.5Low61.6Low81 Ų81104.4 Ų104.442%0.42460%0.599SS.*G310 helixtrans-101.28.3178.1-71.6165.6000113I13 L24 V28 A29 I33I13-L31 HydrophobicContact CD1-CD2 3.9Å; L24-L31 HydrophobicContact CD1-CD1 4.22Å; L24-L31 HydrophobicContact CD2-CD1 3.37Å; L24-L31 HydrophobicContact CG-CD1 4.24Å; V28-L31 PolarHBondContact O-N 3.12Å; A29-L31 VanDerWaalsContact C-N 3.28Å; A29-L31 PolarHBondContact O-N 3.16Å; L31-I33 PolarHBondContact O-N 3.24Å
32S54.7Low61.9Low64 Ų64100.2 Ų100.245%0.44859%0.586SS.*  trans-71.771.5165.572.60000108.7V28 A29 S34V28-S32 PolarHBondContact O-N 3.11Å; A29-S32 PolarHBondContact O-N 3.47Å; A29-S32 PolarHBondContact O-OG 2.86Å; S32-S34 VanDerWaalsContact C-N 3.3Å; S32-S34 PolarHBondContact O-N 2.7Å; S32-S34 VanDerWaalsContact O-N 3.14Å
33I58Low62.7Low121 Ų12198.9 Ų98.962%0.62158%0.583SS**  trans-48.7116.2131.9-81.2166000102.8L31 V35L31-I33 PolarHBondContact O-N 3.24Å; I33-V35 HydrophobicContact CG2-CG2 3.9Å; I33-V35 PolarHBondContact O-N 3.24Å
34S51.9Low63.4Low89 Ų8996.4 Ų96.462%0.62256%0.563SS**  trans-60.383164.4510000105.1S32 T36S32-S34 VanDerWaalsContact C-N 3.3Å; S32-S34 PolarHBondContact O-N 2.7Å; S32-S34 VanDerWaalsContact O-N 3.14Å; S34-T36 PolarHBondContact O-N 2.88Å
35V55.1Low64.3Low98 Ų9896.2 Ų96.259%0.59457%0.57SS**  trans-63.288.8149.7-174.90000100I33 D37I33-V35 HydrophobicContact CG2-CG2 3.9Å; I33-V35 PolarHBondContact O-N 3.24Å; V35-D37 PolarHBondContact O-N 3.11Å
36T52Low65.4Low89 Ų8993.8 Ų93.855%0.54657%0.569SS.*  trans-54.5107.2162.645.10000102.6S34 D38 E39S34-T36 PolarHBondContact O-N 2.88Å; T36-D38 PolarHBondContact O-N 3.48Å; T36-E39 PolarHBondContact O-N 3.27Å
37D54.5Low66.5Low156 Ų15688.8 Ų88.883%0.83454%0.543SS*.THydrogen-bonded Turntrans-542.8176.9-89-92.5000112.8V35 E39V35-D37 PolarHBondContact O-N 3.11Å; D37-E39 VanDerWaalsContact C-N 3.31Å; D37-E39 PolarHBondContact O-N 2.92Å
38D57.1Low68Low141 Ų14189 Ų8975%0.75454%0.54SS*.THydrogen-bonded Turntrans-72.4-6.8171.9-76.5-74.7000115.4T36 S40T36-D38 PolarHBondContact O-N 3.48Å; D38-S40 PolarHBondContact O-N 3.43Å
39E61.2Low69.3Low148 Ų14886.9 Ų86.969%0.69253%0.527SS*.SBendtrans-74.587.7164.6-85.7-156.896.500109.6T36 D37 G41T36-E39 PolarHBondContact O-N 3.27Å; D37-E39 VanDerWaalsContact C-N 3.31Å; D37-E39 PolarHBondContact O-N 2.92Å; E39-G41 PolarHBondContact O-N 3.4Å
40S69.8Low70.9Confident54 Ų5484.3 Ų84.338%0.37850%0.502SS..  trans-47.7123.3174-64.10000109.8D38 N50D38-S40 PolarHBondContact O-N 3.43Å; S40-N50 PolarHBondContact O-ND2 3.11Å
41G77.9Confident72.4Confident34 Ų3484.5 Ų84.535%0.35149%0.49SS..  trans-59.7-170.8-179.900000113.9E39 V43 N50E39-G41 PolarHBondContact O-N 3.4Å; G41-V43 PolarHBondContact O-N 3.38Å; G41-N50 WeakPolarHBondContact O-CB 3.39Å; G41-N50 PolarHBondContact O-ND2 3.31Å
42P84.3Confident73.7Confident77 Ų7787.7 Ų87.750%0.551%0.507SS..SBendtrans-62-15.5-175.725.7-35000113.7I49 N50 L56P42-I49 WeakPolarHBondContact O-CA 3.47Å; P42-N50 PolarHBondContact O-N 3.5Å; P42-L56 HydrophobicContact CB-CD1 4.02Å
43V87Confident75.1Confident67 Ų6785.3 Ų85.341%0.40649%0.491SS..BIsolated β-bridgetrans-125.5126.8175.5-174.90000108.4G41 E48G41-V43 PolarHBondContact O-N 3.38Å; V43-E48 CarbonylContact C-O 3.59Å; V43-E48 WeakPolarHBondContact CA-O 3.46Å
44L87.2Confident76.3Confident48 Ų4884.3 Ų84.325%0.25149%0.492SS..  trans-72159.4176.1-66.2175.1000110.7N46 G47 E48 N50L44-N46 WeakPolarHBondContact CB-OD1 3.38Å; L44-N46 PolarHBondContact O-N 2.94Å; L44-G47 PolarHBondContact O-N 3.37Å; L44-E48 HydrophobicContact CD1-CB 4.49Å; L44-E48 PolarHBondContact N-O 3.01Å; L44-N50 HydrophobicContact CD2-CB 3.97Å; L44-N50 HydrophobicContact CG-CB 4.03Å
45P85.8Confident77.8Confident133 Ų13385.4 Ų85.486%0.86450%0.498SS*.THydrogen-bonded Turntrans-57.9-22.2176.8-25.934.8000114.7G47P45-G47 VanDerWaalsContact C-N 3.25Å; P45-G47 PolarHBondContact O-N 2.91Å
46N87.7Confident78.9Confident104 Ų10482.5 Ų82.556%0.55648%0.479SS*.THydrogen-bonded Turntrans-79.3-4.2175.770.8-6.5000113.6L44 E48L44-N46 WeakPolarHBondContact CB-OD1 3.38Å; L44-N46 PolarHBondContact O-N 2.94Å; N46-E48 PolarHBondContact ND2-OE2 3.47Å; N46-E48 WeakPolarHBondContact OD1-CB 3.36Å; N46-E48 PolarHBondContact OD1-N 3.32Å
47G85.5Confident80.3Confident38 Ų3880.1 Ų80.139%0.39247%0.472SS..SBendtrans87.23-177.800000114.9L44 P45 H76L44-G47 PolarHBondContact O-N 3.37Å; P45-G47 VanDerWaalsContact C-N 3.25Å; P45-G47 PolarHBondContact O-N 2.91Å; G47-H76 PolarHBondContact O-CD2 2.89Å; G47-H76 PolarHBondContact O-NE2 2.92Å
48E87.7Confident81.3Confident121 Ų12179.5 Ų79.557%0.56547%0.469SS*.  trans-86.4156.8174.6-62.2-177.1142.600111.9V43 L44 N46V43-E48 CarbonylContact C-O 3.59Å; V43-E48 WeakPolarHBondContact CA-O 3.46Å; L44-E48 HydrophobicContact CD1-CB 4.49Å; L44-E48 PolarHBondContact N-O 3.01Å; N46-E48 PolarHBondContact ND2-OE2 3.47Å; N46-E48 WeakPolarHBondContact OD1-CB 3.36Å; N46-E48 PolarHBondContact OD1-N 3.32Å
49I88.5Confident82.2Confident22 Ų2276.5 Ų76.511%0.11345%0.452CS..BIsolated β-bridgetrans-74.9129.3177.4-58.2172.1000109.3P42 W51 L56 F72 H76P42-I49 WeakPolarHBondContact O-CA 3.47Å; I49-W51 HydrophobicContact CB-CD2 4.4Å; I49-W51 HydrophobicContact CB-CH2 4.26Å; I49-W51 HydrophobicContact CB-CZ2 3.94Å; I49-W51 HydrophobicContact CD1-CH2 3.68Å; I49-W51 HydrophobicContact CD1-CZ2 3.8Å; I49-W51 HydrophobicContact CG1-CZ2 4.43Å; I49-W51 HydrophobicContact CG2-CD2 4.06Å; I49-W51 HydrophobicContact CG2-CE3 3.97Å; I49-W51 HydrophobicContact CG2-CH2 4.03Å; I49-W51 HydrophobicContact CG2-CZ2 4.13Å; I49-W51 HydrophobicContact CG2-CZ3 3.96Å; I49-W51 PolarHBondContact O-N 3.42Å; I49-L56 HydrophobicContact CG2-CD1 4.47Å; I49-L56 HydrophobicContact CG2-CD2 3.58Å; I49-F72 HydrophobicContact CD1-CB 4.42Å; I49-H76 HydrophobicContact CD1-CB 3.73Å; I49-H76 HydrophobicContact CG1-CB 4.09Å
50N88.7Confident83.3Confident24 Ų2469.9 Ų69.913%0.12842%0.421CS..  trans-76.190.2172.9-178.36.7000110.5S40 G41 P42 L44 N52 C53 L56S40-N50 PolarHBondContact O-ND2 3.11Å; G41-N50 WeakPolarHBondContact O-CB 3.39Å; G41-N50 PolarHBondContact O-ND2 3.31Å; P42-N50 PolarHBondContact O-N 3.5Å; L44-N50 HydrophobicContact CD2-CB 3.97Å; L44-N50 HydrophobicContact CG-CB 4.03Å; N50-N52 PolarHBondContact O-N 2.88Å; N50-N52 VanDerWaalsContact O-N 3.09Å; N50-N52 WeakPolarHBondContact OD1-CB 3.22Å; N50-N52 PolarHBondContact OD1-N 3.25Å; N50-N52 VanDerWaalsContact OD1-N 3.12Å; N50-C53 HydrophobicContact CB-CB 4.2Å; N50-C53 WeakPolarHBondContact O-CB 3.33Å; N50-C53 PolarHBondContact O-N 2.75Å; N50-C53 VanDerWaalsContact O-N 3.09Å; N50-L56 WeakPolarHBondContact O-CD1 3.14Å
51W87.9Confident83.9Confident66 Ų6671.5 Ų71.525%0.2544%0.438CS..THydrogen-bonded Turntrans-67.4-6.9179.8-59.1111.6000115.3I49 L56 V60 F68 R69 F72I49-W51 HydrophobicContact CB-CD2 4.4Å; I49-W51 HydrophobicContact CB-CH2 4.26Å; I49-W51 HydrophobicContact CB-CZ2 3.94Å; I49-W51 HydrophobicContact CD1-CH2 3.68Å; I49-W51 HydrophobicContact CD1-CZ2 3.8Å; I49-W51 HydrophobicContact CG1-CZ2 4.43Å; I49-W51 HydrophobicContact CG2-CD2 4.06Å; I49-W51 HydrophobicContact CG2-CE3 3.97Å; I49-W51 HydrophobicContact CG2-CH2 4.03Å; I49-W51 HydrophobicContact CG2-CZ2 4.13Å; I49-W51 HydrophobicContact CG2-CZ3 3.96Å; I49-W51 PolarHBondContact O-N 3.42Å; W51-L56 HydrophobicContact CE3-CD2 3.88Å; W51-L56 HydrophobicContact CZ3-CD2 3.84Å; W51-V60 HydrophobicContact CB-CG1 4.34Å; W51-V60 HydrophobicContact CE3-CG1 3.76Å; W51-V60 HydrophobicContact CE3-CG2 3.9Å; W51-V60 HydrophobicContact CZ3-CG2 4.04Å; W51-F68 HydrophobicContact CZ3-CD1 4.2Å; W51-F68 HydrophobicContact CZ3-CE1 4.19Å; W51-R69 HydrophobicContact CD2-CG 3.87Å; W51-R69 HydrophobicContact CE3-CG 3.73Å; W51-R69 VanDerWaalsContact CG-NH1 3.26Å; W51-R69 VanDerWaalsContact CH2-CA 3.49Å; W51-R69 HydrophobicContact CH2-CB 3.93Å; W51-R69 HydrophobicContact CH2-CG 3.84Å; W51-R69 HydrophobicContact CZ2-CB 3.91Å; W51-R69 HydrophobicContact CZ2-CG 3.94Å; W51-R69 HydrophobicContact CZ3-CB 4.3Å; W51-R69 HydrophobicContact CZ3-CG 3.72Å; W51-F72 HydrophobicContact CH2-CB 4.09Å
52N85.6Confident84.3Confident147 Ų14771.1 Ų71.179%0.78643%0.434SS*.THydrogen-bonded Turntrans-95.3-5.3176.1-6986.7000112.4N50 P54N50-N52 PolarHBondContact O-N 2.88Å; N50-N52 VanDerWaalsContact O-N 3.09Å; N50-N52 WeakPolarHBondContact OD1-CB 3.22Å; N50-N52 PolarHBondContact OD1-N 3.25Å; N50-N52 VanDerWaalsContact OD1-N 3.12Å; N52-P54 WeakPolarHBondContact O-CD 3.41Å
53C84.2Confident84.6Confident15 Ų1570.7 Ų70.710%0.10143%0.431CS..  trans-70.4120.5-179.7-172.80000109.9N50 C55 L56N50-C53 HydrophobicContact CB-CB 4.2Å; N50-C53 WeakPolarHBondContact O-CB 3.33Å; N50-C53 PolarHBondContact O-N 2.75Å; N50-C53 VanDerWaalsContact O-N 3.09Å; C53-C55 PolarHBondContact O-N 3.23Å; C53-L56 HydrophobicContact CB-CD1 3.75Å; C53-L56 PolarHBondContact O-N 3.29Å
54P83.3Confident84.9Confident100 Ų10067.6 Ų67.665%0.64941%0.412SS*.G310 helixtrans-59.6-18.6-178.923.4-33.1000112.9N52 L56 G57N52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-L56 VanDerWaalsContact C-N 3.34Å; P54-L56 PolarHBondContact O-N 3.17Å; P54-G57 PolarHBondContact O-N 3.26Å
55C82.3Confident85.1Confident111 Ų11165.5 Ų65.575%0.7540%0.403SS*.G310 helixtrans-69.2-23.8176.1-55.20000114.5C53 G57C53-C55 PolarHBondContact O-N 3.23Å; C55-G57 PolarHBondContact O-N 2.92Å
56L79.6Confident85.4Confident38 Ų3866.6 Ų66.620%0.19939%0.391CS..G310 helixtrans-72.6-8.2175.6-84.894.4000112.8P42 I49 N50 W51 C53 P54 V60P42-L56 HydrophobicContact CB-CD1 4.02Å; I49-L56 HydrophobicContact CG2-CD1 4.47Å; I49-L56 HydrophobicContact CG2-CD2 3.58Å; N50-L56 WeakPolarHBondContact O-CD1 3.14Å; W51-L56 HydrophobicContact CE3-CD2 3.88Å; W51-L56 HydrophobicContact CZ3-CD2 3.84Å; C53-L56 HydrophobicContact CB-CD1 3.75Å; C53-L56 PolarHBondContact O-N 3.29Å; P54-L56 VanDerWaalsContact C-N 3.34Å; P54-L56 PolarHBondContact O-N 3.17Å; L56-V60 HydrophobicContact CB-CG2 3.84Å; L56-V60 HydrophobicContact CD2-CG2 4.03Å
57G79.6Confident85.7Confident39 Ų3963.9 Ų63.940%0.40238%0.375SS..  trans71-177.917200000114.5P54 C55 M59P54-G57 PolarHBondContact O-N 3.26Å; C55-G57 PolarHBondContact O-N 2.92Å; G57-M59 PolarHBondContact O-N 3.35Å
58D75.5Confident86.1Confident143 Ų14362.6 Ų62.677%0.76536%0.358SS*.G310 helixtrans-71.5-12.6-171.5-62.2-37.7000113.8V60 A61 G62D58-V60 PolarHBondContact O-N 3.49Å; D58-A61 CarbonylContact O-C 3.12Å; D58-A61 PolarHBondContact O-N 3.06Å; D58-A61 VanDerWaalsContact O-N 3.13Å; D58-G62 PolarHBondContact O-N 3.47Å
59M76.8Confident86.3Confident78 Ų7861.2 Ų61.238%0.38435%0.348SS..G310 helixtrans-63.7-32.1180-65.4-172.572.600112.3G57 A61 G65 F68 F105G57-M59 PolarHBondContact O-N 3.35Å; M59-A61 VanDerWaalsContact C-N 3.31Å; M59-A61 PolarHBondContact O-N 3.03Å; M59-G65 WeakPolarHBondContact O-CA 3.35Å; M59-F68 HydrophobicContact CB-CD2 3.8Å; M59-F68 HydrophobicContact CB-CE2 3.63Å; M59-F68 HydrophobicContact CB-CG 4.36Å; M59-F68 HydrophobicContact CB-CZ 4.11Å; M59-F68 HydrophobicContact CE-CD2 3.88Å; M59-F68 HydrophobicContact CE-CE2 3.82Å; M59-F68 HydrophobicContact CG-CE2 4.37Å; M59-F68 HydrophobicContact SD-CD2 4.45Å; M59-F68 HydrophobicContact SD-CE2 3.87Å; M59-F105 HydrophobicContact CE-CE1 4.48Å; M59-F105 HydrophobicContact CG-CE1 4.41Å
60V83.8Confident86.6Confident8 Ų863.2 Ų63.25%0.04836%0.357CS..G310 helixtrans-70.6-28177.6174.80000112.4W51 L56 D58 F68 R69W51-V60 HydrophobicContact CB-CG1 4.34Å; W51-V60 HydrophobicContact CE3-CG1 3.76Å; W51-V60 HydrophobicContact CE3-CG2 3.9Å; W51-V60 HydrophobicContact CZ3-CG2 4.04Å; L56-V60 HydrophobicContact CB-CG2 3.84Å; L56-V60 HydrophobicContact CD2-CG2 4.03Å; D58-V60 PolarHBondContact O-N 3.49Å; V60-F68 HydrophobicContact CB-CD1 4.47Å; V60-F68 HydrophobicContact CG2-CD1 3.57Å; V60-F68 HydrophobicContact CG2-CE1 3.3Å; V60-F68 HydrophobicContact CG2-CZ 4.24Å; V60-R69 HydrophobicContact CG1-CG 4.5Å; V60-R69 VanDerWaalsContact CG1-CZ 3.45Å; V60-R69 PolarHBondContact O-NH2 3.46Å
61A82.9Confident86.8Confident88 Ų8862.1 Ų62.173%0.72735%0.351SS*.THydrogen-bonded Turntrans-101-8.6-177.700000113.5D58 M59D58-A61 CarbonylContact O-C 3.12Å; D58-A61 PolarHBondContact O-N 3.06Å; D58-A61 VanDerWaalsContact O-N 3.13Å; M59-A61 VanDerWaalsContact C-N 3.31Å; M59-A61 PolarHBondContact O-N 3.03Å
62G86.4Confident86.9Confident27 Ų2762.6 Ų62.628%0.27836%0.355SS..SBendtrans-74.3178.5179.900000114.5D58 C64 G65D58-G62 PolarHBondContact O-N 3.47Å; G62-C64 PolarHBondContact O-N 3.02Å; G62-C64 VanDerWaalsContact O-N 3.13Å; G62-G65 PolarHBondContact O-N 3.21Å
63P90.6Very high87.3Confident67 Ų6755.8 Ų55.844%0.43532%0.319SS..THydrogen-bonded Turntrans-61.5-24.5-179.526-35.1000113.3Y101 L104P63-Y101 HydrophobicContact CB-CD2 4.25Å; P63-Y101 HydrophobicContact CB-CE1 4.34Å; P63-Y101 HydrophobicContact CB-CE2 3.86Å; P63-Y101 HydrophobicContact CG-CD1 4.33Å; P63-Y101 HydrophobicContact CG-CD2 3.9Å; P63-Y101 HydrophobicContact CG-CE1 4.45Å; P63-Y101 HydrophobicContact CG-CE2 4.04Å; P63-Y101 HydrophobicContact CG-CG 4.06Å; P63-L104 HydrophobicContact CG-CD1 3.75Å
64C92.8Very high87.7Confident2 Ų256 Ų561%0.01432%0.32CS..THydrogen-bonded Turntrans-95.912175.3-58.60000113.6G62 Y66 E67 F68 L94 C97 V98 F105G62-C64 PolarHBondContact O-N 3.02Å; G62-C64 VanDerWaalsContact O-N 3.13Å; C64-Y66 PolarHBondContact O-N 3.44Å; C64-E67 PolarHBondContact O-N 3.23Å; C64-F68 WeakPolarHBondContact O-CB 3.32Å; C64-F68 PolarHBondContact O-N 2.04Å; C64-L94 HydrophobicContact CB-CD1 4.13Å; C64-C97 WeakPolarHBondContact CA-SG 2.83Å; C64-C97 HydrophobicContact CB-CB 3.82Å; C64-C97 WeakPolarHBondContact CB-SG 3.17Å; C64-C97 WeakPolarHBondContact SG-CB 3.42Å; C64-C97 PolarHBondContact SG-O 3.2Å; C64-C97 CovalentContact SG-SG 2.04Å; C64-C97 PolarHBondContact SG-SG 3.12Å; C64-V98 HydrophobicContact CB-CG2 4.39Å; C64-V98 PolarHBondContact SG-N 3.41Å; C64-F105 HydrophobicContact CB-CZ 4.18Å
65G91.3Very high88.2Confident5 Ų554.4 Ų54.45%0.05230%0.303CS..Hα-helixtrans-59.5-29.4-176.500000113.6M59 G62 R69M59-G65 WeakPolarHBondContact O-CA 3.35Å; G62-G65 PolarHBondContact O-N 3.21Å; G65-R69 WeakPolarHBondContact O-CB 3.45Å; G65-R69 WeakPolarHBondContact O-CD 3.36Å; G65-R69 WeakPolarHBondContact O-CG 3.37Å; G65-R69 PolarHBondContact O-N 3.5Å
66Y93.7Very high88.7Confident156 Ų15652.2 Ų52.261%0.61228%0.282SS*.Hα-helixtrans-65-54.4174.5178.2-99.7000111.8C64 F68 R69 Q70C64-Y66 PolarHBondContact O-N 3.44Å; Y66-F68 VanDerWaalsContact C-N 3.26Å; Y66-F68 PolarHBondContact O-N 3.19Å; Y66-R69 PolarHBondContact O-N 2.96Å; Y66-R69 VanDerWaalsContact O-N 3.15Å; Y66-Q70 HydrophobicContact CD1-CG 4.48Å; Y66-Q70 HydrophobicContact CE1-CG 4.1Å; Y66-Q70 WeakPolarHBondContact O-CG 3.47Å; Y66-Q70 PolarHBondContact O-N 3.2Å; Y66-Q70 VanDerWaalsContact O-N 3.07Å
67E93.9Very high89.2Confident47 Ų4758.6 Ų58.622%0.2230%0.303CS..Hα-helixtrans-61.6-38.1178.2-58.2-55.4154.300111.3C64 R69 Q70 A71 N93 L94 C97C64-E67 PolarHBondContact O-N 3.23Å; E67-R69 PolarHBondContact O-N 3.13Å; E67-Q70 PolarHBondContact O-N 3.13Å; E67-A71 WeakPolarHBondContact O-CB 3.31Å; E67-A71 PolarHBondContact O-N 3.4Å; E67-N93 HydrophobicContact CG-CB 4.43Å; E67-N93 VanDerWaalsContact OE2-CB 3.31Å; E67-N93 WeakPolarHBondContact OE2-CB 3.45Å; E67-L94 HydrophobicContact CB-CB 4.01Å; E67-L94 HydrophobicContact CB-CD1 4.14Å; E67-C97 HydrophobicContact CG-CB 4.2Å
68F92.9Very high89.9Confident11 Ų1157.1 Ų57.15%0.04829%0.287CS..Hα-helixtrans-59.7-46.7175.6-174.3-85.7000111.3W51 M59 V60 C64 Y66 Q70 A71 F72 L94W51-F68 HydrophobicContact CZ3-CD1 4.2Å; W51-F68 HydrophobicContact CZ3-CE1 4.19Å; M59-F68 HydrophobicContact CB-CD2 3.8Å; M59-F68 HydrophobicContact CB-CE2 3.63Å; M59-F68 HydrophobicContact CB-CG 4.36Å; M59-F68 HydrophobicContact CB-CZ 4.11Å; M59-F68 HydrophobicContact CE-CD2 3.88Å; M59-F68 HydrophobicContact CE-CE2 3.82Å; M59-F68 HydrophobicContact CG-CE2 4.37Å; M59-F68 HydrophobicContact SD-CD2 4.45Å; M59-F68 HydrophobicContact SD-CE2 3.87Å; V60-F68 HydrophobicContact CB-CD1 4.47Å; V60-F68 HydrophobicContact CG2-CD1 3.57Å; V60-F68 HydrophobicContact CG2-CE1 3.3Å; V60-F68 HydrophobicContact CG2-CZ 4.24Å; C64-F68 WeakPolarHBondContact O-CB 3.32Å; C64-F68 PolarHBondContact O-N 2.04Å; Y66-F68 VanDerWaalsContact C-N 3.26Å; Y66-F68 PolarHBondContact O-N 3.19Å; F68-Q70 VanDerWaalsContact C-N 3.32Å; F68-Q70 PolarHBondContact O-N 3.31Å; F68-A71 PolarHBondContact O-N 3.2Å; F68-F72 AromaticContact CD1-CD2 3.82Å; F68-F72 HydrophobicContact CD1-CD2 3.82Å; F68-F72 HydrophobicContact CD1-CE2 4.41Å; F68-F72 HydrophobicContact CD1-CG 4.39Å; F68-F72 AromaticContact CD2-CD2 3.64Å; F68-F72 HydrophobicContact CD2-CD2 3.64Å; F68-F72 AromaticContact CD2-CE2 3.5Å; F68-F72 HydrophobicContact CD2-CE2 3.5Å; F68-F72 VanDerWaalsContact CD2-CE2 3.5Å; F68-F72 HydrophobicContact CE1-CB 4.37Å; F68-F72 AromaticContact CE1-CD2 3.58Å; F68-F72 HydrophobicContact CE1-CD2 3.58Å; F68-F72 AromaticContact CE1-CE2 3.98Å; F68-F72 HydrophobicContact CE1-CE2 3.98Å; F68-F72 AromaticContact CE1-CG 3.91Å; F68-F72 HydrophobicContact CE1-CG 3.91Å; F68-F72 AromaticContact CE2-CD2 3.43Å; F68-F72 HydrophobicContact CE2-CD2 3.43Å; F68-F72 VanDerWaalsContact CE2-CD2 3.43Å; F68-F72 AromaticContact CE2-CE2 3Å; F68-F72 HydrophobicContact CE2-CE2 3Å; F68-F72 HydrophobicContact CE2-CG 4.4Å; F68-F72 AromaticContact CE2-CZ 3.67Å; F68-F72 HydrophobicContact CE2-CZ 3.67Å; F68-F72 AromaticContact CG-CD2 3.86Å; F68-F72 HydrophobicContact CG-CD2 3.86Å; F68-F72 HydrophobicContact CG-CE2 4.2Å; F68-F72 HydrophobicContact CZ-CD1 4.31Å; F68-F72 AromaticContact CZ-CD2 3.39Å; F68-F72 HydrophobicContact CZ-CD2 3.39Å; F68-F72 HydrophobicContact CZ-CE1 4.2Å; F68-F72 AromaticContact CZ-CE2 3.28Å; F68-F72 HydrophobicContact CZ-CE2 3.28Å; F68-F72 AromaticContact CZ-CG 3.93Å; F68-F72 HydrophobicContact CZ-CG 3.93Å; F68-F72 AromaticContact CZ-CZ 3.7Å; F68-F72 HydrophobicContact CZ-CZ 3.7Å; F68-F72 WeakPolarHBondContact O-CB 3.48Å; F68-F72 WeakPolarHBondContact O-CD2 3.43Å; F68-F72 PolarHBondContact O-N 2.91Å; F68-L94 HydrophobicContact CB-CD1 3.97Å; F68-L94 HydrophobicContact CD2-CD1 4.42Å; F68-L94 HydrophobicContact CD2-CD2 4.07Å
69R92.2Very high90.8Very high92 Ų9259.9 Ų59.935%0.34729%0.292SS..Hα-helixtrans-63.6-36.8177.9-71.8169.1-164.9-111.85.9112.5W51 V60 G65 Y66 E67 G73W51-R69 HydrophobicContact CD2-CG 3.87Å; W51-R69 HydrophobicContact CE3-CG 3.73Å; W51-R69 VanDerWaalsContact CG-NH1 3.26Å; W51-R69 VanDerWaalsContact CH2-CA 3.49Å; W51-R69 HydrophobicContact CH2-CB 3.93Å; W51-R69 HydrophobicContact CH2-CG 3.84Å; W51-R69 HydrophobicContact CZ2-CB 3.91Å; W51-R69 HydrophobicContact CZ2-CG 3.94Å; W51-R69 HydrophobicContact CZ3-CB 4.3Å; W51-R69 HydrophobicContact CZ3-CG 3.72Å; V60-R69 HydrophobicContact CG1-CG 4.5Å; V60-R69 VanDerWaalsContact CG1-CZ 3.45Å; V60-R69 PolarHBondContact O-NH2 3.46Å; G65-R69 WeakPolarHBondContact O-CB 3.45Å; G65-R69 WeakPolarHBondContact O-CD 3.36Å; G65-R69 WeakPolarHBondContact O-CG 3.37Å; G65-R69 PolarHBondContact O-N 3.5Å; Y66-R69 PolarHBondContact O-N 2.96Å; Y66-R69 VanDerWaalsContact O-N 3.15Å; E67-R69 PolarHBondContact O-N 3.13Å; R69-G73 WeakPolarHBondContact O-CA 2.99Å; R69-G73 PolarHBondContact O-N 2.51Å
70Q93.6Very high91.6Very high64 Ų6457.7 Ų57.730%0.29929%0.287SS..Hα-helixtrans-67.3-50.1175.9-62-52.2-39.600111.4Y66 E67 F68 G73 C74Y66-Q70 HydrophobicContact CD1-CG 4.48Å; Y66-Q70 HydrophobicContact CE1-CG 4.1Å; Y66-Q70 WeakPolarHBondContact O-CG 3.47Å; Y66-Q70 PolarHBondContact O-N 3.2Å; Y66-Q70 VanDerWaalsContact O-N 3.07Å; E67-Q70 PolarHBondContact O-N 3.13Å; F68-Q70 VanDerWaalsContact C-N 3.32Å; F68-Q70 PolarHBondContact O-N 3.31Å; Q70-G73 PolarHBondContact O-N 2.93Å; Q70-C74 VanDerWaalsContact O-CB 3.29Å; Q70-C74 WeakPolarHBondContact O-CB 3.35Å; Q70-C74 PolarHBondContact O-N 3.29Å
71A93.3Very high91.9Very high0 Ų065 Ų650%033%0.325CS..Hα-helixtrans-62.8-52.7-17900000112.2E67 F68 G73 C74 F75 H90 F91 L94E67-A71 WeakPolarHBondContact O-CB 3.31Å; E67-A71 PolarHBondContact O-N 3.4Å; F68-A71 PolarHBondContact O-N 3.2Å; A71-G73 PolarHBondContact O-N 3.08Å; A71-C74 PolarHBondContact O-N 3.29Å; A71-F75 WeakPolarHBondContact O-CB 3.06Å; A71-F75 PolarHBondContact O-N 2.02Å; A71-H90 HydrophobicContact CB-CB 3.9Å; A71-F91 HydrophobicContact CB-CD1 4.07Å; A71-F91 HydrophobicContact CB-CD2 4.43Å; A71-F91 HydrophobicContact CB-CE1 4.12Å; A71-F91 HydrophobicContact CB-CE2 4.47Å; A71-F91 HydrophobicContact CB-CG 4.24Å; A71-F91 HydrophobicContact CB-CZ 4.32Å; A71-L94 HydrophobicContact CB-CD2 4.26Å
72F91.6Very high92.4Very high77 Ų7765.1 Ų65.134%0.33832%0.319SS..Hα-helixtrans-68.3-36179.1-83.2-93.2000112.4I49 W51 F68 C74 F75 H76 L94I49-F72 HydrophobicContact CD1-CB 4.42Å; W51-F72 HydrophobicContact CH2-CB 4.09Å; F68-F72 AromaticContact CD1-CD2 3.82Å; F68-F72 HydrophobicContact CD1-CD2 3.82Å; F68-F72 HydrophobicContact CD1-CE2 4.41Å; F68-F72 HydrophobicContact CD1-CG 4.39Å; F68-F72 AromaticContact CD2-CD2 3.64Å; F68-F72 HydrophobicContact CD2-CD2 3.64Å; F68-F72 AromaticContact CD2-CE2 3.5Å; F68-F72 HydrophobicContact CD2-CE2 3.5Å; F68-F72 VanDerWaalsContact CD2-CE2 3.5Å; F68-F72 HydrophobicContact CE1-CB 4.37Å; F68-F72 AromaticContact CE1-CD2 3.58Å; F68-F72 HydrophobicContact CE1-CD2 3.58Å; F68-F72 AromaticContact CE1-CE2 3.98Å; F68-F72 HydrophobicContact CE1-CE2 3.98Å; F68-F72 AromaticContact CE1-CG 3.91Å; F68-F72 HydrophobicContact CE1-CG 3.91Å; F68-F72 AromaticContact CE2-CD2 3.43Å; F68-F72 HydrophobicContact CE2-CD2 3.43Å; F68-F72 VanDerWaalsContact CE2-CD2 3.43Å; F68-F72 AromaticContact CE2-CE2 3Å; F68-F72 HydrophobicContact CE2-CE2 3Å; F68-F72 HydrophobicContact CE2-CG 4.4Å; F68-F72 AromaticContact CE2-CZ 3.67Å; F68-F72 HydrophobicContact CE2-CZ 3.67Å; F68-F72 AromaticContact CG-CD2 3.86Å; F68-F72 HydrophobicContact CG-CD2 3.86Å; F68-F72 HydrophobicContact CG-CE2 4.2Å; F68-F72 HydrophobicContact CZ-CD1 4.31Å; F68-F72 AromaticContact CZ-CD2 3.39Å; F68-F72 HydrophobicContact CZ-CD2 3.39Å; F68-F72 HydrophobicContact CZ-CE1 4.2Å; F68-F72 AromaticContact CZ-CE2 3.28Å; F68-F72 HydrophobicContact CZ-CE2 3.28Å; F68-F72 AromaticContact CZ-CG 3.93Å; F68-F72 HydrophobicContact CZ-CG 3.93Å; F68-F72 AromaticContact CZ-CZ 3.7Å; F68-F72 HydrophobicContact CZ-CZ 3.7Å; F68-F72 WeakPolarHBondContact O-CB 3.48Å; F68-F72 WeakPolarHBondContact O-CD2 3.43Å; F68-F72 PolarHBondContact O-N 2.91Å; F72-C74 VanDerWaalsContact C-N 3.34Å; F72-F75 PolarHBondContact O-N 3.49Å; F72-H76 VanDerWaalsContact O-CB 3.27Å; F72-H76 WeakPolarHBondContact O-CB 3.48Å; F72-H76 PolarHBondContact O-N 3.49Å; F72-L94 HydrophobicContact CE2-CD2 4.49Å
73G92.1Very high92.7Very high3 Ų371.1 Ų71.13%0.03133%0.333CS..Hα-helixtrans-63.1-40.617400000112.5R69 Q70 A71 R77R69-G73 WeakPolarHBondContact O-CA 2.99Å; R69-G73 PolarHBondContact O-N 2.51Å; Q70-G73 PolarHBondContact O-N 2.93Å; A71-G73 PolarHBondContact O-N 3.08Å; G73-R77 WeakPolarHBondContact O-CG 3.48Å; G73-R77 PolarHBondContact O-N 3.3Å; G73-R77 PolarHBondContact O-NE 3.41Å; G73-R77 PolarHBondContact O-NH1 3.38Å
74C94.3Very high92.7Very high19 Ų1968.3 Ų68.313%0.12832%0.316CS..Hα-helixtrans-66.4-50.4173.6-173.80000110.9Q70 A71 F72 H76 R77 S78 C87Q70-C74 VanDerWaalsContact O-CB 3.29Å; Q70-C74 WeakPolarHBondContact O-CB 3.35Å; Q70-C74 PolarHBondContact O-N 3.29Å; A71-C74 PolarHBondContact O-N 3.29Å; F72-C74 VanDerWaalsContact C-N 3.34Å; C74-H76 VanDerWaalsContact C-N 3.27Å; C74-H76 PolarHBondContact O-N 3.47Å; C74-R77 CarbonylContact O-C 3.58Å; C74-R77 PolarHBondContact O-N 3.5Å; C74-S78 WeakPolarHBondContact O-CB 3.28Å; C74-S78 PolarHBondContact O-N 2.91Å; C74-C87 HydrophobicContact CB-CB 3.7Å; C74-C87 WeakPolarHBondContact CB-SG 3.43Å; C74-C87 PolarHBondContact O-SG 3.04Å; C74-C87 WeakPolarHBondContact SG-CB 3.4Å; C74-C87 CovalentContact SG-SG 2.02Å; C74-C87 PolarHBondContact SG-SG 3.46Å
75F93.5Very high92.8Very high67 Ų6770.9 Ų70.929%0.29433%0.334SS..Hα-helixtrans-55.1-41.9178.4177.4-97.2000112.7A71 F72 R77 S78 R83 F91A71-F75 WeakPolarHBondContact O-CB 3.06Å; A71-F75 PolarHBondContact O-N 2.02Å; F72-F75 PolarHBondContact O-N 3.49Å; F75-R77 VanDerWaalsContact C-N 3.33Å; F75-R77 PolarHBondContact O-N 3.42Å; F75-S78 PolarHBondContact O-N 2.87Å; F75-R83 HydrophobicContact CE2-CB 3.95Å; F75-R83 WeakPolarHBondContact CE2-O 3.45Å; F75-R83 HydrophobicContact CZ-CB 4.37Å; F75-F91 HydrophobicContact CB-CE2 4.21Å; F75-F91 HydrophobicContact CB-CZ 4.06Å; F75-F91 HydrophobicContact CD2-CE2 4.5Å; F75-F91 HydrophobicContact CD2-CZ 4.37Å; F75-F91 HydrophobicContact CG-CZ 4.41Å
76H91.4Very high93Very high65 Ų6575.3 Ų75.330%0.30136%0.357SS..Hα-helixtrans-65.5-34.8177.6-178.370.9000113.1G47 I49 F72 C74G47-H76 PolarHBondContact O-CD2 2.89Å; G47-H76 PolarHBondContact O-NE2 2.92Å; I49-H76 HydrophobicContact CD1-CB 3.73Å; I49-H76 HydrophobicContact CG1-CB 4.09Å; F72-H76 VanDerWaalsContact O-CB 3.27Å; F72-H76 WeakPolarHBondContact O-CB 3.48Å; F72-H76 PolarHBondContact O-N 3.49Å; C74-H76 VanDerWaalsContact C-N 3.27Å; C74-H76 PolarHBondContact O-N 3.47Å
77R91.4Very high93.1Very high172 Ų17267.9 Ų67.965%0.64933%0.328SS*.Hα-helixtrans-86.1-19.6177.3-69.2-172.8-64.6-91.6-0.7113.7G73 C74 F75 K79G73-R77 WeakPolarHBondContact O-CG 3.48Å; G73-R77 PolarHBondContact O-N 3.3Å; G73-R77 PolarHBondContact O-NE 3.41Å; G73-R77 PolarHBondContact O-NH1 3.38Å; C74-R77 CarbonylContact O-C 3.58Å; C74-R77 PolarHBondContact O-N 3.5Å; F75-R77 VanDerWaalsContact C-N 3.33Å; F75-R77 PolarHBondContact O-N 3.42Å; R77-K79 PolarHBondContact O-N 3.25Å
78S93.7Very high93.1Very high8 Ų869.5 Ų69.56%0.05634%0.34CS..  trans-62.7131.5-176.3176.20000111.6C74 F75 A80 G84 D86C74-S78 WeakPolarHBondContact O-CB 3.28Å; C74-S78 PolarHBondContact O-N 2.91Å; F75-S78 PolarHBondContact O-N 2.87Å; S78-A80 PolarHBondContact OG-N 3.07Å; S78-G84 PolarHBondContact OG-N 2.87Å; S78-D86 WeakPolarHBondContact CB-OD1 3.27Å; S78-D86 PolarHBondContact OG-OD1 3.48Å; S78-D86 PolarHBondContact OG-OD2 3.43Å
79K93.8Very high93.3Very high202 Ų20276.3 Ų76.388%0.87837%0.373SS*.  trans-111.68.4172.8-63.5-179.8-177.8178.60112.1R77R77-K79 PolarHBondContact O-N 3.25Å
80A94.4Very high93.4Very high32 Ų3275 Ų7526%0.26437%0.37SS..SBendtrans-69.4162178.100000111S78 P82 R83 S85 D86S78-A80 PolarHBondContact OG-N 3.07Å; A80-P82 CarbonylContact C-O 3.35Å; A80-P82 CarbonylContact O-C 3.53Å; A80-R83 VanDerWaalsContact O-CA 3.28Å; A80-R83 WeakPolarHBondContact O-CA 3.21Å; A80-R83 PolarHBondContact O-N 3.46Å; A80-R83 VanDerWaalsContact O-N 3.08Å; A80-S85 WeakPolarHBondContact CB-OG 3.4Å; A80-D86 HydrophobicContact CB-CB 4.46Å
81D91.1Very high93.5Very high160 Ų16074.4 Ų74.486%0.85637%0.367SS*.SBendtrans-119.8108.8176-170.621.7000109.3
82P91.8Very high93.6Very high91 Ų9179.4 Ų79.459%0.59139%0.393SS*.SBendcis-73157.90.831.4-35.7000112.7A80 G84 S85A80-P82 CarbonylContact C-O 3.35Å; A80-P82 CarbonylContact O-C 3.53Å; P82-G84 PolarHBondContact O-N 3.15Å; P82-S85 VanDerWaalsContact O-CB 3.32Å; P82-S85 WeakPolarHBondContact O-CB 3.29Å; P82-S85 PolarHBondContact O-N 2.89Å; P82-S85 VanDerWaalsContact O-N 3.11Å; P82-S85 PolarHBondContact O-OG 3.28Å
83R92.4Very high93.8Very high153 Ų15379.1 Ų79.158%0.57740%0.395SS*.THydrogen-bonded Turntrans-55.9131177.7-73.8-153-65.5171-2.4110.6F75 A80F75-R83 HydrophobicContact CE2-CB 3.95Å; F75-R83 WeakPolarHBondContact CE2-O 3.45Å; F75-R83 HydrophobicContact CZ-CB 4.37Å; A80-R83 VanDerWaalsContact O-CA 3.28Å; A80-R83 WeakPolarHBondContact O-CA 3.21Å; A80-R83 PolarHBondContact O-N 3.46Å; A80-R83 VanDerWaalsContact O-N 3.08Å
84G91.5Very high93.8Very high8 Ų879.6 Ų79.68%0.08240%0.397CS..THydrogen-bonded Turntrans83.64.2179.700000115.4S78 P82 D86 C87S78-G84 PolarHBondContact OG-N 2.87Å; P82-G84 PolarHBondContact O-N 3.15Å; G84-D86 PolarHBondContact O-N 3.36Å; G84-C87 WeakPolarHBondContact O-CA 3.03Å; G84-C87 WeakPolarHBondContact O-CB 3.01Å; G84-C87 PolarHBondContact O-N 3Å
85S94Very high93.7Very high56 Ų5682.4 Ų82.439%0.39241%0.408SS..G310 helixtrans-61.5-23.5172.849.90000113.3A80 P82 C87 V88A80-S85 WeakPolarHBondContact CB-OG 3.4Å; P82-S85 VanDerWaalsContact O-CB 3.32Å; P82-S85 WeakPolarHBondContact O-CB 3.29Å; P82-S85 PolarHBondContact O-N 2.89Å; P82-S85 VanDerWaalsContact O-N 3.11Å; P82-S85 PolarHBondContact O-OG 3.28Å; S85-C87 VanDerWaalsContact C-N 3.35Å; S85-V88 WeakPolarHBondContact O-CG2 3.46Å
86D96Very high93.8Very high98 Ų9884.2 Ų84.252%0.52442%0.417SS..G310 helixtrans-81.8-8.4170.357.9-31.3000113.9S78 A80 G84S78-D86 WeakPolarHBondContact CB-OD1 3.27Å; S78-D86 PolarHBondContact OG-OD1 3.48Å; S78-D86 PolarHBondContact OG-OD2 3.43Å; A80-D86 HydrophobicContact CB-CB 4.46Å; G84-D86 PolarHBondContact O-N 3.36Å
87C96.2Very high93.9Very high1 Ų181.7 Ų81.71%0.00741%0.407CS..G310 helixtrans-107.110.9-174.5-55.60000113.6C74 G84 S85 E89 H90 F91C74-C87 HydrophobicContact CB-CB 3.7Å; C74-C87 WeakPolarHBondContact CB-SG 3.43Å; C74-C87 PolarHBondContact O-SG 3.04Å; C74-C87 WeakPolarHBondContact SG-CB 3.4Å; C74-C87 CovalentContact SG-SG 2.02Å; C74-C87 PolarHBondContact SG-SG 3.46Å; G84-C87 WeakPolarHBondContact O-CA 3.03Å; G84-C87 WeakPolarHBondContact O-CB 3.01Å; G84-C87 PolarHBondContact O-N 3Å; S85-C87 VanDerWaalsContact C-N 3.35Å; C87-E89 VanDerWaalsContact C-N 3.28Å; C87-E89 PolarHBondContact O-N 3.28Å; C87-H90 WeakPolarHBondContact O-CB 3.45Å; C87-H90 PolarHBondContact O-N 3Å; C87-F91 HydrophobicContact CB-CD2 4.24Å; C87-F91 HydrophobicContact CB-CE2 4.15Å; C87-F91 WeakPolarHBondContact O-CD2 3.49Å; C87-F91 PolarHBondContact O-N 3.4Å
88V94.8Very high93.9Very high80 Ų8075.3 Ų75.349%0.48539%0.387SS..Hα-helixtrans-55.6-41.2-171.9173.50000112S85 H90 F91 L92S85-V88 WeakPolarHBondContact O-CG2 3.46Å; V88-H90 VanDerWaalsContact C-N 3.32Å; V88-H90 PolarHBondContact O-N 3.29Å; V88-F91 PolarHBondContact O-N 3.11Å; V88-L92 HydrophobicContact CG1-CD1 4.09Å; V88-L92 HydrophobicContact CG1-CG 4.25Å; V88-L92 WeakPolarHBondContact O-CG 3.17Å; V88-L92 PolarHBondContact O-N 2.75Å
89E96.2Very high93.8Very high155 Ų15578.5 Ų78.572%0.72441%0.413SS*.Hα-helixtrans-59.8-40178-65.8-162.5140.100112.7C87 F91 L92 N93C87-E89 VanDerWaalsContact C-N 3.28Å; C87-E89 PolarHBondContact O-N 3.28Å; E89-F91 PolarHBondContact O-N 3.49Å; E89-L92 PolarHBondContact O-N 3.46Å; E89-N93 VanDerWaalsContact O-CG 3.31Å; E89-N93 PolarHBondContact O-N 3.26Å; E89-N93 PolarHBondContact O-OD1 3.42Å
90H95.3Very high93.7Very high65 Ų6576.5 Ų76.530%0.30140%0.4SS..Hα-helixtrans-66.3-38.9177.3-64.5-57.8000112.1A71 C87 V88 N93 L94A71-H90 HydrophobicContact CB-CB 3.9Å; C87-H90 WeakPolarHBondContact O-CB 3.45Å; C87-H90 PolarHBondContact O-N 3Å; V88-H90 VanDerWaalsContact C-N 3.32Å; V88-H90 PolarHBondContact O-N 3.29Å; H90-N93 PolarHBondContact O-N 3.35Å; H90-L94 PolarHBondContact O-N 3.29Å
91F94.4Very high93.5Very high51 Ų5179.6 Ų79.622%0.22441%0.406CS..Hα-helixtrans-65.8-41.1174.4-78.5-76.8000111.4A71 F75 C87 V88 E89 N93 L94 H95A71-F91 HydrophobicContact CB-CD1 4.07Å; A71-F91 HydrophobicContact CB-CD2 4.43Å; A71-F91 HydrophobicContact CB-CE1 4.12Å; A71-F91 HydrophobicContact CB-CE2 4.47Å; A71-F91 HydrophobicContact CB-CG 4.24Å; A71-F91 HydrophobicContact CB-CZ 4.32Å; F75-F91 HydrophobicContact CB-CE2 4.21Å; F75-F91 HydrophobicContact CB-CZ 4.06Å; F75-F91 HydrophobicContact CD2-CE2 4.5Å; F75-F91 HydrophobicContact CD2-CZ 4.37Å; F75-F91 HydrophobicContact CG-CZ 4.41Å; C87-F91 HydrophobicContact CB-CD2 4.24Å; C87-F91 HydrophobicContact CB-CE2 4.15Å; C87-F91 WeakPolarHBondContact O-CD2 3.49Å; C87-F91 PolarHBondContact O-N 3.4Å; V88-F91 PolarHBondContact O-N 3.11Å; E89-F91 PolarHBondContact O-N 3.49Å; F91-N93 VanDerWaalsContact C-N 3.35Å; F91-N93 PolarHBondContact O-N 2.75Å; F91-L94 WeakPolarHBondContact O-CB 3.22Å; F91-L94 PolarHBondContact O-N 3.07Å; F91-H95 PolarHBondContact O-CD2 3.09Å; F91-H95 PolarHBondContact O-N 2.92Å
92L95.5Very high93.2Very high105 Ų10576.4 Ų76.455%0.5539%0.394SS..Hα-helixtrans-59.3-44.5175.7-69.7174.8000112V88 E89 L94 H95 E96V88-L92 HydrophobicContact CG1-CD1 4.09Å; V88-L92 HydrophobicContact CG1-CG 4.25Å; V88-L92 WeakPolarHBondContact O-CG 3.17Å; V88-L92 PolarHBondContact O-N 2.75Å; E89-L92 PolarHBondContact O-N 3.46Å; L92-L94 PolarHBondContact O-N 2.8Å; L92-H95 PolarHBondContact O-N 3.29Å; L92-E96 PolarHBondContact O-N 3.02Å
93N95Very high92.9Very high70 Ų7074.9 Ų74.937%0.37439%0.394SS..Hα-helixtrans-63.2-40.7176.5-66-11000112.2E67 E89 H90 F91 E96 C97E67-N93 HydrophobicContact CG-CB 4.43Å; E67-N93 VanDerWaalsContact OE2-CB 3.31Å; E67-N93 WeakPolarHBondContact OE2-CB 3.45Å; E89-N93 VanDerWaalsContact O-CG 3.31Å; E89-N93 PolarHBondContact O-N 3.26Å; E89-N93 PolarHBondContact O-OD1 3.42Å; H90-N93 PolarHBondContact O-N 3.35Å; F91-N93 VanDerWaalsContact C-N 3.35Å; F91-N93 PolarHBondContact O-N 2.75Å; N93-E96 PolarHBondContact O-N 3.12Å; N93-C97 WeakPolarHBondContact O-CB 3.45Å; N93-C97 PolarHBondContact O-N 2.75Å
94L93.2Very high92.3Very high14 Ų1472.8 Ų72.87%0.07339%0.394CS..Hα-helixtrans-61.2-46.3174174.260.9000111.2C64 E67 F68 A71 F72 H90 F91 L92 E96 C97 V98C64-L94 HydrophobicContact CB-CD1 4.13Å; E67-L94 HydrophobicContact CB-CB 4.01Å; E67-L94 HydrophobicContact CB-CD1 4.14Å; F68-L94 HydrophobicContact CB-CD1 3.97Å; F68-L94 HydrophobicContact CD2-CD1 4.42Å; F68-L94 HydrophobicContact CD2-CD2 4.07Å; A71-L94 HydrophobicContact CB-CD2 4.26Å; F72-L94 HydrophobicContact CE2-CD2 4.49Å; H90-L94 PolarHBondContact O-N 3.29Å; F91-L94 WeakPolarHBondContact O-CB 3.22Å; F91-L94 PolarHBondContact O-N 3.07Å; L92-L94 PolarHBondContact O-N 2.8Å; L94-E96 PolarHBondContact O-N 3.09Å; L94-C97 PolarHBondContact O-N 3.46Å; L94-V98 HydrophobicContact CD1-CG2 4.09Å; L94-V98 WeakPolarHBondContact O-CG2 3.35Å; L94-V98 PolarHBondContact O-N 3.39Å
95H92.3Very high91.4Very high77 Ų7774.1 Ų74.136%0.35640%0.398SS..Hα-helixtrans-60.7-43.8176.6-84.5-81.1000111.9F91 L92 C97 V98 A99 M117F91-H95 PolarHBondContact O-CD2 3.09Å; F91-H95 PolarHBondContact O-N 2.92Å; L92-H95 PolarHBondContact O-N 3.29Å; H95-C97 VanDerWaalsContact C-N 3.34Å; H95-C97 PolarHBondContact O-N 2.85Å; H95-V98 PolarHBondContact O-N 2.89Å; H95-A99 WeakPolarHBondContact O-CB 2.89Å; H95-A99 PolarHBondContact O-N 2.95Å; H95-M117 WeakPolarHBondContact CE1-CE 2.93Å
96E94.5Very high90Very high105 Ų10574 Ų7449%0.49140%0.397SS..Hα-helixtrans-61.9-42.3176.2-168.1-172.9161.400111.4L92 N93 L94 A99 R100L92-E96 PolarHBondContact O-N 3.02Å; N93-E96 PolarHBondContact O-N 3.12Å; L94-E96 PolarHBondContact O-N 3.09Å; E96-A99 PolarHBondContact O-N 3.31Å; E96-R100 WeakPolarHBondContact O-CG 3.46Å; E96-R100 PolarHBondContact O-N 3.05Å; E96-R100 IonicContact OE1-CZ 3.7Å; E96-R100 IonicContact OE1-NE 3.95Å; E96-R100 IonicContact OE1-NH2 2.7Å; E96-R100 PolarHBondContact OE1-NH2 2.94Å
97C93.8Very high88.1Confident13 Ų1374.3 Ų74.39%0.08841%0.407CS..Hα-helixtrans-62.7-49.2175.9-176.20000111.6C64 E67 N93 L94 H95 A99 R100 Y101C64-C97 WeakPolarHBondContact CA-SG 2.83Å; C64-C97 HydrophobicContact CB-CB 3.82Å; C64-C97 WeakPolarHBondContact CB-SG 3.17Å; C64-C97 WeakPolarHBondContact SG-CB 3.42Å; C64-C97 PolarHBondContact SG-O 3.2Å; C64-C97 CovalentContact SG-SG 2.04Å; C64-C97 PolarHBondContact SG-SG 3.12Å; E67-C97 HydrophobicContact CG-CB 4.2Å; N93-C97 WeakPolarHBondContact O-CB 3.45Å; N93-C97 PolarHBondContact O-N 2.75Å; L94-C97 PolarHBondContact O-N 3.46Å; H95-C97 VanDerWaalsContact C-N 3.34Å; H95-C97 PolarHBondContact O-N 2.85Å; C97-A99 VanDerWaalsContact C-N 3.26Å; C97-A99 PolarHBondContact O-N 3.12Å; C97-R100 WeakPolarHBondContact O-CB 3.34Å; C97-R100 PolarHBondContact O-N 3.47Å; C97-Y101 VanDerWaalsContact O-CD2 3.22Å; C97-Y101 WeakPolarHBondContact O-CD2 3.44Å
98V91.1Very high86Confident38 Ų3880.4 Ų80.423%0.2344%0.443CS..Hα-helixtrans-60.5-38179.9168.70000111.1C64 L94 H95 R100 Y101 F105C64-V98 HydrophobicContact CB-CG2 4.39Å; C64-V98 PolarHBondContact SG-N 3.41Å; L94-V98 HydrophobicContact CD1-CG2 4.09Å; L94-V98 WeakPolarHBondContact O-CG2 3.35Å; L94-V98 PolarHBondContact O-N 3.39Å; H95-V98 PolarHBondContact O-N 2.89Å; V98-R100 PolarHBondContact O-N 2.81Å; V98-Y101 CarbonylContact O-C 3.45Å; V98-Y101 PolarHBondContact O-N 2.72Å; V98-F105 HydrophobicContact CB-CD2 4.23Å; V98-F105 HydrophobicContact CB-CE2 4.39Å; V98-F105 HydrophobicContact CG1-CB 4Å; V98-F105 HydrophobicContact CG1-CD2 3.75Å; V98-F105 HydrophobicContact CG1-CE2 4.38Å; V98-F105 HydrophobicContact CG1-CG 3.86Å; V98-F105 HydrophobicContact CG2-CD2 4.18Å; V98-F105 HydrophobicContact CG2-CE1 4.39Å; V98-F105 HydrophobicContact CG2-CE2 4.01Å; V98-F105 HydrophobicContact CG2-CG 4.45Å; V98-F105 HydrophobicContact CG2-CZ 4.11Å
99A91.9Very high83.7Confident74 Ų7484.8 Ų84.861%0.61246%0.456SS*.Hα-helixtrans-61.9-25.8177.100000113.5H95 E96 C97 Y101H95-A99 WeakPolarHBondContact O-CB 2.89Å; H95-A99 PolarHBondContact O-N 2.95Å; E96-A99 PolarHBondContact O-N 3.31Å; C97-A99 VanDerWaalsContact C-N 3.26Å; C97-A99 PolarHBondContact O-N 3.12Å; A99-Y101 VanDerWaalsContact C-N 3.32Å
100R92.1Very high80.8Confident160 Ų16080.1 Ų80.160%0.60445%0.45SS*.Hα-helixtrans-75.9-18.2174.7-62.6171.7-168169.63113.1E96 C97 V98 P102E96-R100 WeakPolarHBondContact O-CG 3.46Å; E96-R100 PolarHBondContact O-N 3.05Å; E96-R100 IonicContact OE1-CZ 3.7Å; E96-R100 IonicContact OE1-NE 3.95Å; E96-R100 IonicContact OE1-NH2 2.7Å; E96-R100 PolarHBondContact OE1-NH2 2.94Å; C97-R100 WeakPolarHBondContact O-CB 3.34Å; C97-R100 PolarHBondContact O-N 3.47Å; V98-R100 PolarHBondContact O-N 2.81Å; R100-P102 WeakPolarHBondContact O-CD 3.47Å
101Y89.6Confident78.1Confident97 Ų9782.4 Ų82.438%0.3847%0.473SS..  trans-122.156.4-177.7-56-76.1000112.7P63 C97 V98 A99 G103 L104 F105P63-Y101 HydrophobicContact CB-CD2 4.25Å; P63-Y101 HydrophobicContact CB-CE1 4.34Å; P63-Y101 HydrophobicContact CB-CE2 3.86Å; P63-Y101 HydrophobicContact CG-CD1 4.33Å; P63-Y101 HydrophobicContact CG-CD2 3.9Å; P63-Y101 HydrophobicContact CG-CE1 4.45Å; P63-Y101 HydrophobicContact CG-CE2 4.04Å; P63-Y101 HydrophobicContact CG-CG 4.06Å; C97-Y101 VanDerWaalsContact O-CD2 3.22Å; C97-Y101 WeakPolarHBondContact O-CD2 3.44Å; V98-Y101 CarbonylContact O-C 3.45Å; V98-Y101 PolarHBondContact O-N 2.72Å; A99-Y101 VanDerWaalsContact C-N 3.32Å; Y101-G103 PolarHBondContact O-N 2.89Å; Y101-G103 VanDerWaalsContact O-N 3.12Å; Y101-L104 HydrophobicContact CD1-CD1 4.2Å; Y101-L104 HydrophobicContact CG-CD1 4.32Å; Y101-L104 PolarHBondContact O-N 3.05Å; Y101-L104 VanDerWaalsContact O-N 3.1Å; Y101-F105 WeakPolarHBondContact O-CD2 3.41Å
102P86.2Confident75.4Confident94 Ų9484.9 Ų84.961%0.6150%0.496SS*.Hα-helixtrans-59-33.1-17324.6-34.2000113R100 S106R100-P102 WeakPolarHBondContact O-CD 3.47Å; P102-S106 WeakPolarHBondContact O-CB 3.2Å; P102-S106 PolarHBondContact O-N 2.84Å; P102-S106 PolarHBondContact O-OG 2.9Å
103G83.8Confident73.1Confident58 Ų5887.2 Ų87.260%0.59851%0.509SS*.Hα-helixtrans-76.4-15.8-179.100000115.9Y101 S106Y101-G103 PolarHBondContact O-N 2.89Å; Y101-G103 VanDerWaalsContact O-N 3.12Å; G103-S106 WeakPolarHBondContact CA-OG 3.34Å; G103-S106 PolarHBondContact O-OG 3.18Å; G103-S106 VanDerWaalsContact O-OG 3.11Å
104L79.9Confident70.7Confident109 Ų10992 Ų9257%0.57154%0.535SS*.Hα-helixtrans-89-36.6178.2-68.8179.1000111.7P63 Y101P63-L104 HydrophobicContact CG-CD1 3.75Å; Y101-L104 HydrophobicContact CD1-CD1 4.2Å; Y101-L104 HydrophobicContact CG-CD1 4.32Å; Y101-L104 PolarHBondContact O-N 3.05Å; Y101-L104 VanDerWaalsContact O-N 3.1Å
105F73.9Confident68.5Low37 Ų3799.1 Ų99.116%0.16257%0.568CS.*Hα-helixtrans-96-5.7-179.1-59.8-78.8000112.7M59 C64 V98 Y101 S107 V108M59-F105 HydrophobicContact CE-CE1 4.48Å; M59-F105 HydrophobicContact CG-CE1 4.41Å; C64-F105 HydrophobicContact CB-CZ 4.18Å; V98-F105 HydrophobicContact CB-CD2 4.23Å; V98-F105 HydrophobicContact CB-CE2 4.39Å; V98-F105 HydrophobicContact CG1-CB 4Å; V98-F105 HydrophobicContact CG1-CD2 3.75Å; V98-F105 HydrophobicContact CG1-CE2 4.38Å; V98-F105 HydrophobicContact CG1-CG 3.86Å; V98-F105 HydrophobicContact CG2-CD2 4.18Å; V98-F105 HydrophobicContact CG2-CE1 4.39Å; V98-F105 HydrophobicContact CG2-CE2 4.01Å; V98-F105 HydrophobicContact CG2-CG 4.45Å; V98-F105 HydrophobicContact CG2-CZ 4.11Å; Y101-F105 WeakPolarHBondContact O-CD2 3.41Å; F105-S107 PolarHBondContact O-N 3.06Å; F105-V108 PolarHBondContact O-N 3.5Å
106S64.5Low66.4Low53 Ų5398 Ų9837%0.37157%0.569SS.*G310 helixtrans-65.5-17.6175.750.40000114.1P102 G103 V108 K109P102-S106 WeakPolarHBondContact O-CB 3.2Å; P102-S106 PolarHBondContact O-N 2.84Å; P102-S106 PolarHBondContact O-OG 2.9Å; G103-S106 WeakPolarHBondContact CA-OG 3.34Å; G103-S106 PolarHBondContact O-OG 3.18Å; G103-S106 VanDerWaalsContact O-OG 3.11Å; S106-V108 PolarHBondContact O-N 2.9Å; S106-K109 WeakPolarHBondContact O-CA 3.48Å; S106-K109 WeakPolarHBondContact O-CB 3.43Å; S106-K109 PolarHBondContact O-N 3.32Å
107S55.3Low64.6Low104 Ų10498.5 Ų98.573%0.72757%0.572SS**G310 helixtrans-65.5-17.8173.3-55.80000112.9F105 K109F105-S107 PolarHBondContact O-N 3.06Å; S107-K109 VanDerWaalsContact C-N 3.34Å
108V52.5Low62.6Low129 Ų129101.1 Ų101.178%0.78260%0.595SS**G310 helixtrans-77.5-23.3169-177.60000111.3F105 S106 G110F105-V108 PolarHBondContact O-N 3.5Å; S106-V108 PolarHBondContact O-N 2.9Å; V108-G110 PolarHBondContact O-N 3.48Å
109K46.4Very low60.8Low173 Ų173103 Ų10375%0.75260%0.604SS**G310 helixtrans-86.421.6178.3-76.9-166.2151.5105.60113.7S106 S107S106-K109 WeakPolarHBondContact O-CA 3.48Å; S106-K109 WeakPolarHBondContact O-CB 3.43Å; S106-K109 PolarHBondContact O-N 3.32Å; S107-K109 VanDerWaalsContact C-N 3.34Å
110G36.6Very low59Low57 Ų57106.4 Ų106.459%0.58861%0.611SS**  trans-109.950.6-168.800000116V108V108-G110 PolarHBondContact O-N 3.48Å
111S38.3Very low57.5Low112 Ų112105.9 Ų105.978%0.78362%0.617SS**SBendtrans-167.189.2152.1-86.90000109.2
112S37.7Very low55.7Low103 Ų103108.8 Ų108.872%0.7263%0.632SS**SBendtrans65.1135.7161.9-49.30000117
113D45.8Very low53.3Low154 Ų154107 Ų10782%0.82463%0.631SS**  trans80.583.3164.6-45.1-37.8000115.1E115D113-E115 VanDerWaalsContact C-N 3.28Å; D113-E115 PolarHBondContact O-N 2.86Å
114D45.6Very low51.5Low171 Ų171110.8 Ų110.891%0.91464%0.637SS**  trans-34.482.6148.9-150.3-58000111.9
115E47.5Very low50Low163 Ų163110.8 Ų110.876%0.76265%0.646SS**  trans-149.3100.2154-72.3-135.8116.500110.8D113D113-E115 VanDerWaalsContact C-N 3.28Å; D113-E115 PolarHBondContact O-N 2.86Å
116S46.5Very low48.3Very low54 Ų54116.8 Ų116.838%0.37868%0.68SS.*  trans35.9122.7144.11110000121.3A118 D119S116-A118 PolarHBondContact O-N 2.74Å; S116-A118 WeakPolarHBondContact OG-CA 3.32Å; S116-A118 WeakPolarHBondContact OG-CB 3.15Å; S116-A118 PolarHBondContact OG-N 2.83Å; S116-A118 VanDerWaalsContact OG-N 3.12Å; S116-D119 PolarHBondContact O-N 2.65Å; S116-D119 VanDerWaalsContact O-N 3.12Å; S116-D119 PolarHBondContact OG-N 2.88Å; S116-D119 PolarHBondContact OG-OD2 3.39Å
117M57Low47.4Very low115 Ų115121.8 Ų121.857%0.56770%0.695SS**THydrogen-bonded Turntrans-60.2-4154-85.6-91.6-91.100112.8H95 L120H95-M117 WeakPolarHBondContact CE1-CE 2.93Å; M117-L120 HydrophobicContact SD-CD1 4.36Å
118A53.5Low46.6Very low68 Ų68124.1 Ų124.156%0.56270%0.699SS**THydrogen-bonded Turntrans-83-22.3173.500000112.3S116 M121 K122S116-A118 PolarHBondContact O-N 2.74Å; S116-A118 WeakPolarHBondContact OG-CA 3.32Å; S116-A118 WeakPolarHBondContact OG-CB 3.15Å; S116-A118 PolarHBondContact OG-N 2.83Å; S116-A118 VanDerWaalsContact OG-N 3.12Å; A118-M121 PolarHBondContact O-N 3.02Å; A118-K122 PolarHBondContact O-N 3.14Å
119D51.5Low45.8Very low77 Ų77126 Ų12641%0.41270%0.7SS.*G310 helixtrans-76.2-26.6177.5-78.6-67.5000112.7S116 M121 K122S116-D119 PolarHBondContact O-N 2.65Å; S116-D119 VanDerWaalsContact O-N 3.12Å; S116-D119 PolarHBondContact OG-N 2.88Å; S116-D119 PolarHBondContact OG-OD2 3.39Å; D119-M121 PolarHBondContact O-N 3.39Å; D119-K122 PolarHBondContact O-N 2.97Å
120L55.5Low45.5Very low146 Ų146126 Ų12676%0.76470%0.702SS**G310 helixtrans-70.9-17.5172.2-74.3167.4000113.6M117M117-L120 HydrophobicContact SD-CD1 4.36Å
121M60.9Low45.7Very low150 Ų150132.7 Ų132.774%0.73972%0.718SS**G310 helixtrans-95.2-6173.8-67.1-65.4-169.700112.6A118 D119 G123A118-M121 PolarHBondContact O-N 3.02Å; D119-M121 PolarHBondContact O-N 3.39Å; M121-G123 PolarHBondContact O-N 2.8Å; M121-G123 VanDerWaalsContact O-N 3.08Å
122K50Low45.8Very low157 Ų157135.7 Ų135.768%0.68372%0.719SS**SBendtrans-8971.9174.9-152.2161.4179.6-178.20108.5A118 D119 D124A118-K122 PolarHBondContact O-N 3.14Å; D119-K122 PolarHBondContact O-N 2.97Å; K122-D124 PolarHBondContact O-N 3.47Å
123G36Very low45.8Very low57 Ų57138.2 Ų138.259%0.58872%0.724SS**  trans-49.8128.7171.100000110.4M121 S125M121-G123 PolarHBondContact O-N 2.8Å; M121-G123 VanDerWaalsContact O-N 3.08Å; G123-S125 VanDerWaalsContact C-N 3.31Å; G123-S125 PolarHBondContact O-N 2.86Å
124D46.8Very low45.6Very low138 Ų138139.9 Ų139.974%0.73873%0.727SS**SBendtrans-46.191.5166-159.2-107.8000109.2K122K122-D124 PolarHBondContact O-N 3.47Å
125S47.7Very low45.6Very low108 Ų108140.1 Ų140.176%0.75572%0.72SS**  trans-134.58.4173-75.60000112.7G123 K127G123-S125 VanDerWaalsContact C-N 3.31Å; G123-S125 PolarHBondContact O-N 2.86Å; S125-K127 VanDerWaalsContact C-N 3.31Å; S125-K127 PolarHBondContact O-N 3.18Å
126D39.7Very low45.5Very low163 Ų163139.3 Ų139.387%0.87272%0.721SS**  trans-93.267.8165.2-76-57.1000109.5
127K45Very low45.4Very low158 Ų158146.8 Ų146.869%0.68775%0.747SS**  trans-113.3114.5158-88.2-175.5178.9170.40108.9S125S125-K127 VanDerWaalsContact C-N 3.31Å; S125-K127 PolarHBondContact O-N 3.18Å
128D38.3Very low44.7Very low153 Ų153147.9 Ų147.982%0.81876%0.755SS**SBendtrans78.2136.8156.1-61.4-61.9000118.2
129E36.6Very low44.6Very low170 Ų170150 Ų15079%0.79477%0.766SS**  trans91.672.1161-145.7169.9104.300118.5
130H38.5Very low44.5Very low171 Ų171153.3 Ų153.379%0.79278%0.783SS**  171.989.4112.6-93.8148.2000111.8
131Q40.6Very low44.5Very low199 Ų199150.6 Ų150.693%0.9378%0.776SS**  trans-140.180.4153.7-76-171.341.200108.8
132H41.2Very low44.1Very low174 Ų174155 Ų15581%0.80679%0.785SS**  trans-163.273.9154.6-160.2-102.5000111.3
133L37.2Very low44.3Very low156 Ų156151.8 Ų151.882%0.81779%0.787SS**  trans-163.861.8146.4-132.669.6000111.8K135L133-K135 PolarHBondContact O-N 3.39Å
134E42.7Very low45Very low189 Ų189155.2 Ų155.288%0.88380%0.796SS**  trans-71.6102.1153-70.4-164.411300108.1
135K44Very low45.5Very low176 Ų176156.1 Ų156.177%0.76580%0.8SS**  trans175.2131.5145.3-96.4156.3-170.8176.10110.2L133L133-K135 PolarHBondContact O-N 3.39Å
136N45.4Very low45.6Very low147 Ų147155.6 Ų155.679%0.78680%0.802SS**  trans86.390.7165.4-44.9-34000115.7
137F44.4Very low46Very low211 Ų211152.3 Ų152.393%0.92580%0.797SS**  -165.2110.3110.2-135.2-105.3000111
138D43.2Very low47.1Very low138 Ų138150.6 Ų150.674%0.73880%0.802SS**  trans-57.8155.8167.6-81.3-85.4000113.1
139S51.4Low48Very low113 Ų113149.4 Ų149.479%0.7980%0.803SS**  trans76.6105.8146.6-75.30000118.9
140N48.5Very low48.6Very low146 Ų146148.2 Ų148.278%0.78181%0.807SS**  120.8119.1112.3-160.730.5000116
141S57.1Low49.7Very low88 Ų88150 Ų15062%0.61581%0.813SS**  trans71.1109.9145-72.60000119
142R52.2Low50.8Low244 Ų244144.8 Ų144.892%0.92180%0.803SS**  86.996.571.7-172.2-176.8-171155.64112.7
143A52.9Low51.7Low89 Ų89142.2 Ų142.274%0.73680%0.802SS**  trans177.5102.1145.800000108.9
144V51.7Low53.3Low128 Ų128140.8 Ų140.878%0.77680%0.803SS**  21.5132.4104.4-67.20000114.3
145I56.6Low54Low158 Ų158138 Ų13881%0.8180%0.804SS**  -173135.373.6-66.9146000110.7
146A49.3Very low54.9Low97 Ų97134.3 Ų134.380%0.80281%0.806SS**  trans39.8140.2145.700000125.4
147A48.7Very low55.4Low93 Ų93139 Ų13977%0.76983%0.831SS**PPolyproline II helixtrans-87.1158.2165.800000113.4
148P68.6Low56Low123 Ų123135.4 Ų135.480%0.79983%0.826SS**PPolyproline II helixtrans-99.115416936.4-30.3000113.3
149P57.7Low56.7Low127 Ų127135.2 Ų135.283%0.82583%0.831SS**PPolyproline II helixtrans-90.7164.5-177.836.4-34.2000114.3
150T49.3Very low56.9Low145 Ų145136.4 Ų136.489%0.8983%0.833SS**PPolyproline II helixtrans-68.7151.7179.839.80000114.6
151K61.5Low57.4Low210 Ų210135.9 Ų135.991%0.91384%0.836SS**  trans-136.5127.2164.7-161.8176.4-177.3-1740110.3
152A62.2Low57.5Low88 Ų88138.9 Ų138.973%0.72785%0.85SS**PPolyproline II helixtrans-75.1162.418000000113
153P61.5Low57.8Low120 Ų120131.9 Ų131.978%0.77985%0.845SS**PPolyproline II helixtrans-87.2162.1-172.635.9-33.7000112.8
154P70.4Confident58.2Low127 Ų127134.9 Ų134.983%0.82585%0.853SS**PPolyproline II helixtrans-87.7131.9172.232.9-29.9000112
155S58.1Low58.7Low130 Ų130135.5 Ų135.591%0.90986%0.859SS**PPolyproline II helixtrans-87.8134.9152.5-61.10000108.4
156A63.1Low58.8Low99 Ų99133.6 Ų133.682%0.81886%0.863SS**  trans-146.5141.7159.900000108.3
157D55.6Low59.7Low244 Ų244136.9 Ų136.9100%1.30587%0.869SS**  trans-29.70165.9-120.6-105.3000115.4

Retrieved 157 of 157 residues in 136.8 ms (Link to these results)