A0A5K4F9G6_SCHMA Loading...

Transmembrane protein

AlphaFold DB , UniProt , Accession A0A5K4F9G6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 114 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
1M45.5Very low44.5Very low212 Ų212143.9 Ų143.9100%1.04467%0.669SS**  0-47.40-117.8179.3-160.500113Y3 Y4M1-Y3 VanDerWaalsContact C-N 3.35Å; M1-Y3 PolarHBondContact O-N 3.35Å; M1-Y4 PolarHBondContact O-N 3.36Å
2F40.8Very low45.5Very low182 Ų182137.8 Ų137.880%0.79865%0.649SS**Hα-helixtrans-58.3-36.5179.3-79.7-84.6000115.3Y4 F5 N6F2-Y4 VanDerWaalsContact C-N 3.35Å; F2-Y4 PolarHBondContact O-N 3.34Å; F2-F5 PolarHBondContact O-N 3.29Å; F2-N6 PolarHBondContact O-N 3.4Å
3Y44.1Very low46.1Very low205 Ų205135.5 Ų135.580%0.80464%0.638SS**Hα-helixtrans-63.5-35.8178.9-79.1-81.6000113.8M1 Q7M1-Y3 VanDerWaalsContact C-N 3.35Å; M1-Y3 PolarHBondContact O-N 3.35Å; Y3-Q7 PolarHBondContact O-N 3.32Å
4Y43.4Very low47.1Very low172 Ų172134.9 Ų134.968%0.67563%0.632SS**Hα-helixtrans-70.6-37178.4-91.2-86.9000112.1M1 F2 Q7 I8M1-Y4 PolarHBondContact O-N 3.36Å; F2-Y4 VanDerWaalsContact C-N 3.35Å; F2-Y4 PolarHBondContact O-N 3.34Å; Y4-Q7 PolarHBondContact O-N 3.09Å; Y4-I8 WeakPolarHBondContact O-CG1 3.48Å; Y4-I8 PolarHBondContact O-N 3.25Å; Y4-I8 VanDerWaalsContact O-N 3.09Å
5F39Very low48.2Very low148 Ų148131.5 Ų131.565%0.64962%0.624SS**Hα-helixtrans-66.3-40.8-178.7-142.6-87.7000111.8F2 Q7 I8 N9F2-F5 PolarHBondContact O-N 3.29Å; F5-Q7 VanDerWaalsContact C-N 3.32Å; F5-Q7 PolarHBondContact O-N 3.04Å; F5-I8 PolarHBondContact O-N 3.07Å; F5-N9 PolarHBondContact O-N 3.42Å; F5-N9 VanDerWaalsContact O-N 3.07Å
6N38.3Very low49.4Very low106 Ų106128.9 Ų128.957%0.56761%0.614SS**Hα-helixtrans-64.8-35.4175-78-18.9000112.5F2 N9 M10F2-N6 PolarHBondContact O-N 3.4Å; N6-N9 PolarHBondContact O-N 3.41Å; N6-M10 WeakPolarHBondContact O-CB 3.41Å; N6-M10 VanDerWaalsContact O-CG 3.26Å; N6-M10 WeakPolarHBondContact O-CG 3.27Å; N6-M10 PolarHBondContact O-N 3.44Å
7Q41.3Very low50.4Low134 Ų134126.8 Ų126.863%0.62660%0.604SS**Hα-helixtrans-69.9-39.4179.3-148.8175.929.900111.9Y3 Y4 F5 N11Y3-Q7 PolarHBondContact O-N 3.32Å; Y4-Q7 PolarHBondContact O-N 3.09Å; F5-Q7 VanDerWaalsContact C-N 3.32Å; F5-Q7 PolarHBondContact O-N 3.04Å; Q7-N11 WeakPolarHBondContact O-CB 3.44Å; Q7-N11 PolarHBondContact O-N 3.44Å
8I49.1Very low51.5Low104 Ų104128.1 Ų128.153%0.53360%0.603SS.*Hα-helixtrans-63.3-46174-65.5168.3000110.3Y4 F5 M10 N11 V12Y4-I8 WeakPolarHBondContact O-CG1 3.48Å; Y4-I8 PolarHBondContact O-N 3.25Å; Y4-I8 VanDerWaalsContact O-N 3.09Å; F5-I8 PolarHBondContact O-N 3.07Å; I8-M10 PolarHBondContact O-N 3.01Å; I8-N11 WeakPolarHBondContact O-CB 3.26Å; I8-N11 PolarHBondContact O-N 3.37Å; I8-N11 VanDerWaalsContact O-N 3.09Å; I8-V12 HydrophobicContact CG2-CG2 4.37Å; I8-V12 WeakPolarHBondContact O-CG2 3.37Å; I8-V12 PolarHBondContact O-N 3.23Å
9N43.1Very low52.5Low101 Ų101127.2 Ų127.254%0.5460%0.598SS.*Hα-helixtrans-63.6-41.8-178.5-132.910000111.9F5 N6 N11 V12 Q13F5-N9 PolarHBondContact O-N 3.42Å; F5-N9 VanDerWaalsContact O-N 3.07Å; N6-N9 PolarHBondContact O-N 3.41Å; N9-N11 VanDerWaalsContact C-N 3.29Å; N9-N11 PolarHBondContact O-N 3.46Å; N9-V12 PolarHBondContact O-N 3.09Å; N9-Q13 WeakPolarHBondContact O-CB 3.5Å; N9-Q13 PolarHBondContact O-N 3Å
10M51.9Low53.5Low108 Ų108125.2 Ų125.253%0.53259%0.591SS.*Hα-helixtrans-61.7-36.7172.9-75.6-84.7-7800112.3N6 I8 K14N6-M10 WeakPolarHBondContact O-CB 3.41Å; N6-M10 VanDerWaalsContact O-CG 3.26Å; N6-M10 WeakPolarHBondContact O-CG 3.27Å; N6-M10 PolarHBondContact O-N 3.44Å; I8-M10 PolarHBondContact O-N 3.01Å; M10-K14 WeakPolarHBondContact O-CB 3.39Å; M10-K14 VanDerWaalsContact O-CG 3.27Å; M10-K14 WeakPolarHBondContact O-CG 3.46Å; M10-K14 PolarHBondContact O-N 2.91Å
11N53.1Low54.4Low111 Ų111123.5 Ų123.559%0.59458%0.584SS**Hα-helixtrans-71.4-41.4178.5-129.313.1000111.7Q7 I8 N9 K14 T15Q7-N11 WeakPolarHBondContact O-CB 3.44Å; Q7-N11 PolarHBondContact O-N 3.44Å; I8-N11 WeakPolarHBondContact O-CB 3.26Å; I8-N11 PolarHBondContact O-N 3.37Å; I8-N11 VanDerWaalsContact O-N 3.09Å; N9-N11 VanDerWaalsContact C-N 3.29Å; N9-N11 PolarHBondContact O-N 3.46Å; N11-K14 PolarHBondContact O-N 2.94Å; N11-T15 PolarHBondContact O-N 2.96Å; N11-T15 PolarHBondContact O-OG1 3.4Å
12V55.9Low55.7Low71 Ų71116.6 Ų116.643%0.4355%0.55SS..Hα-helixtrans-62.9-44.4174.7174.30000110.4I8 N9 K14 T15 I16I8-V12 HydrophobicContact CG2-CG2 4.37Å; I8-V12 WeakPolarHBondContact O-CG2 3.37Å; I8-V12 PolarHBondContact O-N 3.23Å; N9-V12 PolarHBondContact O-N 3.09Å; V12-K14 PolarHBondContact O-N 3.15Å; V12-T15 WeakPolarHBondContact O-CB 3.36Å; V12-T15 PolarHBondContact O-N 3.41Å; V12-T15 VanDerWaalsContact O-N 3.15Å; V12-I16 HydrophobicContact CG1-CD1 3.86Å; V12-I16 HydrophobicContact CG1-CG1 4.42Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 2.88Å
13Q53.8Low57.3Low107 Ų107113 Ų11350%0.554%0.535SS..Hα-helixtrans-62.7-43178.3-168.2176.2-16.500111.7N9 T15 I16 E17N9-Q13 WeakPolarHBondContact O-CB 3.5Å; N9-Q13 PolarHBondContact O-N 3Å; Q13-T15 VanDerWaalsContact C-N 3.3Å; Q13-T15 PolarHBondContact O-N 2.9Å; Q13-I16 PolarHBondContact O-N 3.19Å; Q13-E17 PolarHBondContact NE2-OE1 3.35Å; Q13-E17 WeakPolarHBondContact O-CB 3.46Å; Q13-E17 VanDerWaalsContact O-CG 3.31Å; Q13-E17 WeakPolarHBondContact O-CG 3.44Å; Q13-E17 PolarHBondContact O-N 3.28Å
14K59.6Low58.8Low127 Ų127108.3 Ų108.355%0.55252%0.524SS*.Hα-helixtrans-61-38.1173-76.7178.3-179-173.70112.6M10 N11 V12 Y18M10-K14 WeakPolarHBondContact O-CB 3.39Å; M10-K14 VanDerWaalsContact O-CG 3.27Å; M10-K14 WeakPolarHBondContact O-CG 3.46Å; M10-K14 PolarHBondContact O-N 2.91Å; N11-K14 PolarHBondContact O-N 2.94Å; V12-K14 PolarHBondContact O-N 3.15Å; K14-Y18 VanDerWaalsContact O-CB 3.23Å; K14-Y18 WeakPolarHBondContact O-CB 3.31Å; K14-Y18 PolarHBondContact O-N 3.31Å
15T64.1Low60.3Low85 Ų85103.7 Ų103.752%0.52151%0.51SS..Hα-helixtrans-66-44.3176.1-57.70000111.3N11 V12 Q13 Y18 E19N11-T15 PolarHBondContact O-N 2.96Å; N11-T15 PolarHBondContact O-OG1 3.4Å; V12-T15 WeakPolarHBondContact O-CB 3.36Å; V12-T15 PolarHBondContact O-N 3.41Å; V12-T15 VanDerWaalsContact O-N 3.15Å; Q13-T15 VanDerWaalsContact C-N 3.3Å; Q13-T15 PolarHBondContact O-N 2.9Å; T15-Y18 PolarHBondContact O-N 2.91Å; T15-E19 WeakPolarHBondContact O-CB 3.4Å; T15-E19 PolarHBondContact O-N 3.48Å
16I67.7Low62.1Low89 Ų89103 Ų10346%0.45651%0.506SS..Hα-helixtrans-63.5-46.4176.7-66.7167.9000110.4V12 Q13 Y18 E19 I20V12-I16 HydrophobicContact CG1-CD1 3.86Å; V12-I16 HydrophobicContact CG1-CG1 4.42Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 2.88Å; Q13-I16 PolarHBondContact O-N 3.19Å; I16-Y18 VanDerWaalsContact C-N 3.33Å; I16-Y18 PolarHBondContact O-N 3.45Å; I16-E19 PolarHBondContact O-N 3.43Å; I16-I20 HydrophobicContact CG2-CD1 3.78Å; I16-I20 HydrophobicContact CG2-CG1 4.43Å; I16-I20 VanDerWaalsContact O-CG1 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.27Å; I16-I20 PolarHBondContact O-N 3.44Å
17E65.9Low64Low94 Ų94102.2 Ų102.244%0.43950%0.501SS..Hα-helixtrans-60.1-44176.8-74.6173.4-170.800111.2Q13 I20 I21Q13-E17 PolarHBondContact NE2-OE1 3.35Å; Q13-E17 WeakPolarHBondContact O-CB 3.46Å; Q13-E17 VanDerWaalsContact O-CG 3.31Å; Q13-E17 WeakPolarHBondContact O-CG 3.44Å; Q13-E17 PolarHBondContact O-N 3.28Å; E17-I20 PolarHBondContact O-N 2.86Å; E17-I21 WeakPolarHBondContact O-CB 3.23Å; E17-I21 WeakPolarHBondContact O-CD1 3.28Å; E17-I21 WeakPolarHBondContact O-CG1 3.19Å; E17-I21 PolarHBondContact O-N 3.25Å
18Y70.2Confident65.7Low149 Ų14998.4 Ų98.458%0.58449%0.493SS*.Hα-helixtrans-62.6-43176.2-175.7-96.9000111.9K14 T15 I16 I21 Q22K14-Y18 VanDerWaalsContact O-CB 3.23Å; K14-Y18 WeakPolarHBondContact O-CB 3.31Å; K14-Y18 PolarHBondContact O-N 3.31Å; T15-Y18 PolarHBondContact O-N 2.91Å; I16-Y18 VanDerWaalsContact C-N 3.33Å; I16-Y18 PolarHBondContact O-N 3.45Å; Y18-I21 PolarHBondContact O-N 2.88Å; Y18-Q22 HydrophobicContact CD1-CG 3.94Å; Y18-Q22 HydrophobicContact CE1-CG 3.57Å; Y18-Q22 HydrophobicContact CE2-CG 4.47Å; Y18-Q22 WeakPolarHBondContact O-CB 3.4Å; Y18-Q22 VanDerWaalsContact O-CG 3.27Å; Y18-Q22 WeakPolarHBondContact O-CG 3.44Å; Y18-Q22 PolarHBondContact O-N 3.25Å; Y18-Q22 PolarHBondContact OH-NE2 2.93Å
19E70.6Confident67Low111 Ų11197.6 Ų97.652%0.51949%0.49SS..Hα-helixtrans-65.3-41.9178.8-166.5175.1179.500111.9T15 I16 Q22 Q23T15-E19 WeakPolarHBondContact O-CB 3.4Å; T15-E19 PolarHBondContact O-N 3.48Å; I16-E19 PolarHBondContact O-N 3.43Å; E19-Q22 PolarHBondContact O-N 2.91Å; E19-Q23 WeakPolarHBondContact O-CG 3.44Å; E19-Q23 PolarHBondContact O-N 3.28Å
20I72.7Confident68.5Low87 Ų8798.6 Ų98.645%0.44649%0.491SS..Hα-helixtrans-61.5-45.5173.6-68.2167.5000110.4I16 E17 Q22 Q23 L24I16-I20 HydrophobicContact CG2-CD1 3.78Å; I16-I20 HydrophobicContact CG2-CG1 4.43Å; I16-I20 VanDerWaalsContact O-CG1 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.27Å; I16-I20 PolarHBondContact O-N 3.44Å; E17-I20 PolarHBondContact O-N 2.86Å; I20-Q22 VanDerWaalsContact C-N 3.33Å; I20-Q22 PolarHBondContact O-N 3.45Å; I20-Q23 PolarHBondContact O-N 3.49Å; I20-L24 HydrophobicContact CG2-CD1 4.04Å; I20-L24 HydrophobicContact CG2-CG 4.45Å; I20-L24 WeakPolarHBondContact O-CG 3.32Å; I20-L24 PolarHBondContact O-N 2.89Å
21I72Confident69.6Low90 Ų9098.4 Ų98.446%0.46249%0.491SS..Hα-helixtrans-61.3-42.9177.4-70.4164.8000110.5E17 Y18 Q23 L24 I25E17-I21 WeakPolarHBondContact O-CB 3.23Å; E17-I21 WeakPolarHBondContact O-CD1 3.28Å; E17-I21 WeakPolarHBondContact O-CG1 3.19Å; E17-I21 PolarHBondContact O-N 3.25Å; Y18-I21 PolarHBondContact O-N 2.88Å; I21-Q23 PolarHBondContact O-N 2.85Å; I21-L24 PolarHBondContact O-N 2.91Å; I21-I25 HydrophobicContact CG2-CD1 3.86Å; I21-I25 HydrophobicContact CG2-CG1 4.44Å; I21-I25 VanDerWaalsContact O-CG1 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.48Å; I21-I25 PolarHBondContact O-N 3.27Å
22Q73.4Confident70.6Confident68 Ų6896.5 Ų96.532%0.31848%0.481SS..Hα-helixtrans-63.6-39.3176.7-73.7-67.1-40.800112.4Y18 E19 I20 I25 K26Y18-Q22 HydrophobicContact CD1-CG 3.94Å; Y18-Q22 HydrophobicContact CE1-CG 3.57Å; Y18-Q22 HydrophobicContact CE2-CG 4.47Å; Y18-Q22 WeakPolarHBondContact O-CB 3.4Å; Y18-Q22 VanDerWaalsContact O-CG 3.27Å; Y18-Q22 WeakPolarHBondContact O-CG 3.44Å; Y18-Q22 PolarHBondContact O-N 3.25Å; Y18-Q22 PolarHBondContact OH-NE2 2.93Å; E19-Q22 PolarHBondContact O-N 2.91Å; I20-Q22 VanDerWaalsContact C-N 3.33Å; I20-Q22 PolarHBondContact O-N 3.45Å; Q22-I25 PolarHBondContact O-N 3.04Å; Q22-K26 WeakPolarHBondContact O-CG 3.41Å; Q22-K26 PolarHBondContact O-N 2.91Å
23Q74.1Confident71.4Confident106 Ų10697.4 Ų97.450%0.49548%0.483SS..Hα-helixtrans-64.8-42.7173.8-71.5178.820.800111.6E19 I20 I21 I25 K26 I27E19-Q23 WeakPolarHBondContact O-CG 3.44Å; E19-Q23 PolarHBondContact O-N 3.28Å; I20-Q23 PolarHBondContact O-N 3.49Å; I21-Q23 PolarHBondContact O-N 2.85Å; Q23-I25 VanDerWaalsContact C-N 3.34Å; Q23-I25 PolarHBondContact O-N 3.05Å; Q23-K26 PolarHBondContact O-N 2.87Å; Q23-I27 WeakPolarHBondContact O-CG1 3.37Å; Q23-I27 PolarHBondContact O-N 2.98Å
24L74.9Confident72Confident106 Ų10699 Ų9956%0.55549%0.491SS*.Hα-helixtrans-63.5-39176.6-71.7171.7000112.2I20 I21 I27 A28I20-L24 HydrophobicContact CG2-CD1 4.04Å; I20-L24 HydrophobicContact CG2-CG 4.45Å; I20-L24 WeakPolarHBondContact O-CG 3.32Å; I20-L24 PolarHBondContact O-N 2.89Å; I21-L24 PolarHBondContact O-N 2.91Å; L24-I27 PolarHBondContact O-N 3.46Å; L24-A28 WeakPolarHBondContact O-CB 3.29Å; L24-A28 PolarHBondContact O-N 3.39Å
25I76.2Confident72Confident75 Ų7598.2 Ų98.239%0.38549%0.488SS..Hα-helixtrans-62.6-46.2174.2-69.4166.9000110.2I21 Q22 Q23 I27 A28 D29I21-I25 HydrophobicContact CG2-CD1 3.86Å; I21-I25 HydrophobicContact CG2-CG1 4.44Å; I21-I25 VanDerWaalsContact O-CG1 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.48Å; I21-I25 PolarHBondContact O-N 3.27Å; Q22-I25 PolarHBondContact O-N 3.04Å; Q23-I25 VanDerWaalsContact C-N 3.34Å; Q23-I25 PolarHBondContact O-N 3.05Å; I25-I27 PolarHBondContact O-N 2.87Å; I25-A28 WeakPolarHBondContact O-CB 3.41Å; I25-A28 PolarHBondContact O-N 3.29Å; I25-A28 VanDerWaalsContact O-N 3.17Å; I25-D29 PolarHBondContact O-N 2.97Å
26K76.9Confident71.9Confident133 Ų133100.4 Ų100.458%0.57849%0.49SS*.Hα-helixtrans-59.6-44.4177-74.9178.9-179.5-178.80112.7Q22 Q23 A28 D29 E30Q22-K26 WeakPolarHBondContact O-CG 3.41Å; Q22-K26 PolarHBondContact O-N 2.91Å; Q23-K26 PolarHBondContact O-N 2.87Å; K26-A28 VanDerWaalsContact C-N 3.31Å; K26-A28 PolarHBondContact O-N 3.43Å; K26-D29 PolarHBondContact O-N 2.92Å; K26-E30 WeakPolarHBondContact O-CB 3.49Å; K26-E30 WeakPolarHBondContact O-CG 3.34Å; K26-E30 PolarHBondContact O-N 3.46Å
27I77.5Confident71.6Confident90 Ų90102 Ų10246%0.46250%0.499SS..Hα-helixtrans-62.5-41.5176.8-67.4165.9000110.4Q23 L24 I25 E30 I31Q23-I27 WeakPolarHBondContact O-CG1 3.37Å; Q23-I27 PolarHBondContact O-N 2.98Å; L24-I27 PolarHBondContact O-N 3.46Å; I25-I27 PolarHBondContact O-N 2.87Å; I27-E30 PolarHBondContact O-N 3.26Å; I27-I31 HydrophobicContact CG2-CD1 3.83Å; I27-I31 VanDerWaalsContact O-CG1 3.24Å; I27-I31 WeakPolarHBondContact O-CG1 3.35Å; I27-I31 PolarHBondContact O-N 3.17Å
28A76.5Confident71.2Confident54 Ų54101.7 Ų101.745%0.44650%0.501SS..Hα-helixtrans-64.5-41.3177.100000112.1L24 I25 K26 I31 D32L24-A28 WeakPolarHBondContact O-CB 3.29Å; L24-A28 PolarHBondContact O-N 3.39Å; I25-A28 WeakPolarHBondContact O-CB 3.41Å; I25-A28 PolarHBondContact O-N 3.29Å; I25-A28 VanDerWaalsContact O-N 3.17Å; K26-A28 VanDerWaalsContact C-N 3.31Å; K26-A28 PolarHBondContact O-N 3.43Å; A28-I31 PolarHBondContact O-N 3.47Å; A28-D32 WeakPolarHBondContact O-CB 3.26Å; A28-D32 PolarHBondContact O-N 3.15Å
29D76.4Confident70.6Confident87 Ų87101.7 Ų101.747%0.46551%0.506SS..Hα-helixtrans-67.1-40.4176.7-73.7-18.7000111.8I25 K26 D32 N33I25-D29 PolarHBondContact O-N 2.97Å; K26-D29 PolarHBondContact O-N 2.92Å; D29-D32 PolarHBondContact O-N 3.23Å; D29-N33 VanDerWaalsContact O-CB 3.32Å; D29-N33 WeakPolarHBondContact O-CB 3.31Å; D29-N33 PolarHBondContact O-N 2.94Å; D29-N33 PolarHBondContact O-ND2 2.97Å
30E75.2Confident69.7Low123 Ų12399.8 Ų99.858%0.57550%0.499SS*.Hα-helixtrans-60.9-46.2173.8-77.8175-166.200111.4K26 I27 N33 E34K26-E30 WeakPolarHBondContact O-CB 3.49Å; K26-E30 WeakPolarHBondContact O-CG 3.34Å; K26-E30 PolarHBondContact O-N 3.46Å; I27-E30 PolarHBondContact O-N 3.26Å; E30-N33 PolarHBondContact O-N 3.43Å; E30-E34 WeakPolarHBondContact O-CG 3.4Å; E30-E34 PolarHBondContact O-N 2.86Å
31I74.1Confident68.7Low104 Ų104101 Ų10153%0.53350%0.501SS..Hα-helixtrans-63-43.4176.8-68167.4000111.2I27 A28 N33 E34 F35I27-I31 HydrophobicContact CG2-CD1 3.83Å; I27-I31 VanDerWaalsContact O-CG1 3.24Å; I27-I31 WeakPolarHBondContact O-CG1 3.35Å; I27-I31 PolarHBondContact O-N 3.17Å; A28-I31 PolarHBondContact O-N 3.47Å; I31-N33 VanDerWaalsContact C-N 3.34Å; I31-E34 PolarHBondContact O-N 3.32Å; I31-F35 WeakPolarHBondContact O-CB 3.4Å; I31-F35 PolarHBondContact O-N 3.07Å
32D74Confident67.8Low70 Ų70105.1 Ų105.137%0.37451%0.511SS..Hα-helixtrans-64.9-39.1178.2-171.958.4000111.5A28 D29 F35 K36A28-D32 WeakPolarHBondContact O-CB 3.26Å; A28-D32 PolarHBondContact O-N 3.15Å; D29-D32 PolarHBondContact O-N 3.23Å; D32-F35 PolarHBondContact O-N 3.16Å; D32-K36 WeakPolarHBondContact O-CB 3.46Å; D32-K36 WeakPolarHBondContact O-CG 3.24Å; D32-K36 PolarHBondContact O-N 2.88Å; D32-K36 VanDerWaalsContact OD2-CE 3.26Å; D32-K36 WeakPolarHBondContact OD2-CE 3.37Å; D32-K36 IonicContact OD2-NZ 2.69Å; D32-K36 PolarHBondContact OD2-NZ 2.94Å
33N74.3Confident66.9Low91 Ų91108.1 Ų108.149%0.48752%0.523SS..Hα-helixtrans-66.4-45.8175.4-72.7-32.1000111.9D29 E30 I31 F35 K36 D37D29-N33 VanDerWaalsContact O-CB 3.32Å; D29-N33 WeakPolarHBondContact O-CB 3.31Å; D29-N33 PolarHBondContact O-N 2.94Å; D29-N33 PolarHBondContact O-ND2 2.97Å; E30-N33 PolarHBondContact O-N 3.43Å; I31-N33 VanDerWaalsContact C-N 3.34Å; N33-F35 PolarHBondContact O-N 2.86Å; N33-K36 PolarHBondContact O-N 2.69Å; N33-D37 WeakPolarHBondContact O-CB 3.49Å; N33-D37 PolarHBondContact O-N 3.45Å
34E65.8Low65.8Low141 Ų141106 Ų10666%0.65952%0.519SS*.Hα-helixtrans-60-35.2173.3-77.1-170.4-177.100112.2E30 I31 D37E30-E34 WeakPolarHBondContact O-CG 3.4Å; E30-E34 PolarHBondContact O-N 2.86Å; I31-E34 PolarHBondContact O-N 3.32Å; E34-D37 PolarHBondContact O-N 3Å
35F59.5Low64.7Low110 Ų110105.8 Ų105.848%0.48252%0.515SS..Hα-helixtrans-70.3-41.3176.4-160.7-93000112.1I31 D32 N33 D37 L40I31-F35 WeakPolarHBondContact O-CB 3.4Å; I31-F35 PolarHBondContact O-N 3.07Å; D32-F35 PolarHBondContact O-N 3.16Å; N33-F35 PolarHBondContact O-N 2.86Å; F35-D37 VanDerWaalsContact C-N 3.29Å; F35-D37 PolarHBondContact O-N 3.45Å; F35-L40 HydrophobicContact CD2-CB 4.04Å; F35-L40 HydrophobicContact CD2-CD1 3.59Å; F35-L40 HydrophobicContact CD2-CG 4.39Å; F35-L40 HydrophobicContact CE2-CB 4.05Å; F35-L40 HydrophobicContact CE2-CD1 4.11Å; F35-L40 HydrophobicContact CG-CD1 4.42Å
36K61.5Low63.5Low130 Ų130112.5 Ų112.557%0.56554%0.536SS*.Hα-helixtrans-67.2-27.5174.5-81.6174.1178.1153.20113.1D32 N33 N38D32-K36 WeakPolarHBondContact O-CB 3.46Å; D32-K36 WeakPolarHBondContact O-CG 3.24Å; D32-K36 PolarHBondContact O-N 2.88Å; D32-K36 VanDerWaalsContact OD2-CE 3.26Å; D32-K36 WeakPolarHBondContact OD2-CE 3.37Å; D32-K36 IonicContact OD2-NZ 2.69Å; D32-K36 PolarHBondContact OD2-NZ 2.94Å; N33-K36 PolarHBondContact O-N 2.69Å; K36-N38 PolarHBondContact O-N 3.33Å
37D62.9Low62.4Low123 Ų123113 Ų11366%0.65854%0.543SS*.SBendtrans-6941.9179.2-103.25000113.5N33 E34 F35 Q39N33-D37 WeakPolarHBondContact O-CB 3.49Å; N33-D37 PolarHBondContact O-N 3.45Å; E34-D37 PolarHBondContact O-N 3Å; F35-D37 VanDerWaalsContact C-N 3.29Å; F35-D37 PolarHBondContact O-N 3.45Å; D37-Q39 PolarHBondContact O-N 2.87Å
38N57.5Low61Low88 Ų88112.7 Ų112.747%0.47155%0.549SS..SBendtrans56.3-14.8158.4-76.6-44.6000118.3K36 R42K36-N38 PolarHBondContact O-N 3.33Å; N38-R42 WeakPolarHBondContact O-CB 3.49Å; N38-R42 WeakPolarHBondContact O-CG 3.26Å; N38-R42 PolarHBondContact O-N 2.72Å
39Q55.7Low59.4Low149 Ų149116.6 Ų116.670%0.69656%0.558SS**Hα-helixtrans-76.5-38.3-179.7-69.8-15453.500110.6D37 K43D37-Q39 PolarHBondContact O-N 2.87Å; Q39-K43 WeakPolarHBondContact O-CG 3.43Å; Q39-K43 PolarHBondContact O-N 3.44Å; Q39-K43 VanDerWaalsContact O-N 3.15Å
40L52.2Low58Low70 Ų70117.8 Ų117.837%0.36657%0.57SS.*Hα-helixtrans-76.3-40.3174.2-79.1165.4000111.7F35 R42 K43 C44F35-L40 HydrophobicContact CD2-CB 4.04Å; F35-L40 HydrophobicContact CD2-CD1 3.59Å; F35-L40 HydrophobicContact CD2-CG 4.39Å; F35-L40 HydrophobicContact CE2-CB 4.05Å; F35-L40 HydrophobicContact CE2-CD1 4.11Å; F35-L40 HydrophobicContact CG-CD1 4.42Å; L40-R42 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 3.32Å; L40-K43 PolarHBondContact O-N 2.88Å; L40-K43 VanDerWaalsContact O-N 3.08Å; L40-C44 WeakPolarHBondContact O-CB 3.27Å; L40-C44 PolarHBondContact O-N 3.49Å
41K51.9Low56.5Low113 Ų113118.1 Ų118.149%0.49158%0.576SS.*Hα-helixtrans-55.9-46.5172.5-170.5176177.9-178.10112.1K43 C44 E45K41-K43 VanDerWaalsContact C-N 3.35Å; K41-K43 PolarHBondContact O-N 2.92Å; K41-C44 PolarHBondContact O-N 3.49Å; K41-E45 WeakPolarHBondContact CE-OE1 3.37Å; K41-E45 WeakPolarHBondContact O-CB 3.46Å; K41-E45 WeakPolarHBondContact O-CG 3.42Å; K41-E45 PolarHBondContact O-N 3.19Å
42R53.9Low55Low177 Ų177123.1 Ų123.167%0.66859%0.59SS**Hα-helixtrans-65-34175.8-72.5176.2-165.6-172.97.2113.2N38 L40 R46N38-R42 WeakPolarHBondContact O-CB 3.49Å; N38-R42 WeakPolarHBondContact O-CG 3.26Å; N38-R42 PolarHBondContact O-N 2.72Å; L40-R42 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 3.32Å; R42-R46 PolarHBondContact O-N 2.97Å
43K53.5Low53.3Low130 Ų130121.9 Ų121.957%0.56559%0.593SS**Hα-helixtrans-70.4-40.6174.5-81.7178.3179.8175.20111.8Q39 L40 K41 R46 I47Q39-K43 WeakPolarHBondContact O-CG 3.43Å; Q39-K43 PolarHBondContact O-N 3.44Å; Q39-K43 VanDerWaalsContact O-N 3.15Å; L40-K43 PolarHBondContact O-N 2.88Å; L40-K43 VanDerWaalsContact O-N 3.08Å; K41-K43 VanDerWaalsContact C-N 3.35Å; K41-K43 PolarHBondContact O-N 2.92Å; K43-R46 PolarHBondContact O-N 3.36Å; K43-I47 WeakPolarHBondContact O-CG1 3.35Å; K43-I47 PolarHBondContact O-N 2.93Å
44C50.6Low51.9Low62 Ų62122.4 Ų122.442%0.41960%0.604SS.*Hα-helixtrans-71.5-39.5177.7-72.20000112.3L40 K41 R46 I47 S48L40-C44 WeakPolarHBondContact O-CB 3.27Å; L40-C44 PolarHBondContact O-N 3.49Å; K41-C44 PolarHBondContact O-N 3.49Å; C44-R46 VanDerWaalsContact C-N 3.26Å; C44-R46 PolarHBondContact O-N 2.86Å; C44-I47 CarbonylContact O-C 3.59Å; C44-I47 PolarHBondContact O-N 3.47Å; C44-S48 PolarHBondContact O-N 3.37Å; C44-S48 PolarHBondContact O-OG 3.39Å
45E52.9Low50.7Low101 Ų101123.7 Ų123.747%0.47261%0.608SS.*Hα-helixtrans-62.2-32.8174.1-79176.1-179.700112.2K41 I47 S48 Q49K41-E45 WeakPolarHBondContact CE-OE1 3.37Å; K41-E45 WeakPolarHBondContact O-CB 3.46Å; K41-E45 WeakPolarHBondContact O-CG 3.42Å; K41-E45 PolarHBondContact O-N 3.19Å; E45-I47 VanDerWaalsContact C-N 3.27Å; E45-I47 PolarHBondContact O-N 3.37Å; E45-S48 PolarHBondContact O-N 3.48Å; E45-Q49 PolarHBondContact O-N 2.87Å; E45-Q49 VanDerWaalsContact O-N 3.13Å
46R50.9Low49.7Very low217 Ų217124.4 Ų124.482%0.81961%0.613SS**Hα-helixtrans-66-27.4171-88-173.1-169.8172.34.4113.7R42 K43 C44R42-R46 PolarHBondContact O-N 2.97Å; K43-R46 PolarHBondContact O-N 3.36Å; C44-R46 VanDerWaalsContact C-N 3.26Å; C44-R46 PolarHBondContact O-N 2.86Å
47I53.8Low48.9Very low144 Ų144123.3 Ų123.374%0.73862%0.621SS**Hα-helixtrans-89.5-29.9179.9-59.7166.7000110.5K43 C44 E45K43-I47 WeakPolarHBondContact O-CG1 3.35Å; K43-I47 PolarHBondContact O-N 2.93Å; C44-I47 CarbonylContact O-C 3.59Å; C44-I47 PolarHBondContact O-N 3.47Å; E45-I47 VanDerWaalsContact C-N 3.27Å; E45-I47 PolarHBondContact O-N 3.37Å
48S48.4Very low48.2Very low82 Ų82121 Ų12157%0.57361%0.614SS**Hα-helixtrans-89.1-3.1179.668.70000114.5C44 E45 P50C44-S48 PolarHBondContact O-N 3.37Å; C44-S48 PolarHBondContact O-OG 3.39Å; E45-S48 PolarHBondContact O-N 3.48Å; S48-P50 WeakPolarHBondContact O-CD 3.34Å
49Q42.4Very low47.5Very low136 Ų136120.5 Ų120.564%0.63661%0.614SS**  trans-60.3111.2164.2-85.5-170.1-7.400108.1E45 N51E45-Q49 PolarHBondContact O-N 2.87Å; E45-Q49 VanDerWaalsContact O-N 3.13Å; Q49-N51 PolarHBondContact O-N 3.25Å
50P47.4Very low47.1Very low112 Ų112118.4 Ų118.473%0.72761%0.607SS**  trans-79.459.4174.328.9-16.1000107.3S48 Y52S48-P50 WeakPolarHBondContact O-CD 3.34Å; P50-Y52 PolarHBondContact O-N 3.33Å
51N42.9Very low46.7Very low130 Ų130122 Ų12270%0.69562%0.621SS**  trans-79.556154.3-110.1-3.9000107.3Q49 G53Q49-N51 PolarHBondContact O-N 3.25Å; N51-G53 PolarHBondContact O-N 3.5Å
52Y43.2Very low46.6Very low209 Ų209124.7 Ų124.782%0.8263%0.633SS**  trans-66.261.3146.9-93.9-94.6000106.8P50 S54P50-Y52 PolarHBondContact O-N 3.33Å; Y52-S54 PolarHBondContact O-N 2.95Å
53G38.3Very low46.2Very low44 Ų44123.1 Ų123.145%0.45463%0.631SS.*  trans-65.587.9157.300000104.6N51 F55N51-G53 PolarHBondContact O-N 3.5Å; G53-F55 WeakPolarHBondContact O-CA 3.34Å; G53-F55 WeakPolarHBondContact O-CD2 3.18Å; G53-F55 PolarHBondContact O-N 3.05Å
54S43.8Very low46Very low102 Ų102121.9 Ų121.971%0.71363%0.63SS**  trans12.971.7167.159.10000111.6Y52 Q56Y52-S54 PolarHBondContact O-N 2.95Å; S54-Q56 PolarHBondContact O-N 2.61Å
55F42Very low45.6Very low168 Ų168126.4 Ų126.474%0.73764%0.642SS**  trans-6897.2-179.8-97.4-89000104.7G53 C57G53-F55 WeakPolarHBondContact O-CA 3.34Å; G53-F55 WeakPolarHBondContact O-CD2 3.18Å; G53-F55 PolarHBondContact O-N 3.05Å; F55-C57 VanDerWaalsContact C-N 3.25Å; F55-C57 PolarHBondContact O-N 2.77Å
56Q38.2Very low45.5Very low125 Ų125124.5 Ų124.558%0.58464%0.64SS**  trans-48.892.4176.7-74.6172.5-13.600107.8S54 S58 T59S54-Q56 PolarHBondContact O-N 2.61Å; Q56-S58 PolarHBondContact O-N 3.38Å; Q56-T59 PolarHBondContact O-N 2.88Å; Q56-T59 PolarHBondContact OE1-OG1 3.48Å; Q56-T59 VanDerWaalsContact OE1-OG1 3.1Å
57C44.3Very low45.4Very low108 Ų108118.8 Ų118.873%0.7363%0.625SS**Hα-helixtrans-53.5-24.9172.9-168.10000110.3F55 H61F55-C57 VanDerWaalsContact C-N 3.25Å; F55-C57 PolarHBondContact O-N 2.77Å; C57-H61 PolarHBondContact O-N 2.99Å
58S48.5Very low44.8Very low75 Ų75118.4 Ų118.452%0.52463%0.625SS.*Hα-helixtrans-64.8-33.1173.349.60000114.8Q56 K62Q56-S58 PolarHBondContact O-N 3.38Å; S58-K62 PolarHBondContact O-N 3.12Å
59T43.5Very low44.8Very low76 Ų76122 Ų12247%0.46663%0.633SS.*Hα-helixtrans-77.9-36.8-176.2-55.10000111.7Q56 H61 K62 K63Q56-T59 PolarHBondContact O-N 2.88Å; Q56-T59 PolarHBondContact OE1-OG1 3.48Å; Q56-T59 VanDerWaalsContact OE1-OG1 3.1Å; T59-H61 VanDerWaalsContact C-N 3.32Å; T59-H61 PolarHBondContact O-N 2.94Å; T59-K62 PolarHBondContact O-N 2.97Å; T59-K63 PolarHBondContact O-N 3.49Å
60I46.1Very low44.9Very low106 Ų106123 Ų12354%0.54464%0.637SS.*Hα-helixtrans-66.2-38.6175-61.4176.3000110.2K62 K63 L64I60-K62 PolarHBondContact O-N 3Å; I60-K63 PolarHBondContact O-N 3.43Å; I60-L64 HydrophobicContact CG2-CD1 3.95Å; I60-L64 WeakPolarHBondContact O-CB 3.35Å; I60-L64 PolarHBondContact O-N 3.5Å
61H45.3Very low44.6Very low144 Ų144119.5 Ų119.567%0.66762%0.622SS**Hα-helixtrans-65.9-39.8179.1-147.867.3000112.5C57 T59 K65C57-H61 PolarHBondContact O-N 2.99Å; T59-H61 VanDerWaalsContact C-N 3.32Å; T59-H61 PolarHBondContact O-N 2.94Å; H61-K65 PolarHBondContact O-N 3.19Å
62K48.1Very low44.7Very low171 Ų171121.7 Ų121.774%0.74363%0.628SS**Hα-helixtrans-66.1-38.6173.2-77.2-173.5177.6-1780112.6S58 T59 I60 K65 S66S58-K62 PolarHBondContact O-N 3.12Å; T59-K62 PolarHBondContact O-N 2.97Å; I60-K62 PolarHBondContact O-N 3Å; K62-K65 PolarHBondContact O-N 3.24Å; K62-S66 PolarHBondContact O-N 2.96Å
63K46.9Very low44.8Very low144 Ų144120 Ų12063%0.62663%0.628SS**Hα-helixtrans-71.1-36.2179.5-150178.2-173-179.40112.3T59 I60 S66 I67T59-K63 PolarHBondContact O-N 3.49Å; I60-K63 PolarHBondContact O-N 3.43Å; K63-S66 PolarHBondContact O-N 3.26Å; K63-I67 HydrophobicContact CG-CD1 4.17Å; K63-I67 WeakPolarHBondContact O-CD1 3.4Å; K63-I67 VanDerWaalsContact O-CG1 3.22Å; K63-I67 WeakPolarHBondContact O-CG1 3.29Å; K63-I67 PolarHBondContact O-N 3.15Å
64L48.7Very low44.9Very low104 Ų104124.8 Ų124.855%0.54564%0.642SS.*Hα-helixtrans-63.8-39.4173.3-93.1158.8000112.2I60 S66 I67 N68I60-L64 HydrophobicContact CG2-CD1 3.95Å; I60-L64 WeakPolarHBondContact O-CB 3.35Å; I60-L64 PolarHBondContact O-N 3.5Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 3.48Å; L64-I67 PolarHBondContact O-N 3.08Å; L64-N68 PolarHBondContact O-N 2.81Å
65K43.3Very low44.9Very low156 Ų156126.1 Ų126.168%0.67864%0.642SS**Hα-helixtrans-65-39.3177-150.1176.5-175.6-176.10111.9H61 K62 E69H61-K65 PolarHBondContact O-N 3.19Å; K62-K65 PolarHBondContact O-N 3.24Å; K65-E69 PolarHBondContact O-N 3.44Å
66S48.9Very low45.2Very low61 Ų61125.9 Ų125.943%0.42765%0.648SS.*Hα-helixtrans-68.9-37.1174.6146.20000113.2K62 K63 L64 N68 E69 Q70K62-S66 PolarHBondContact O-N 2.96Å; K63-S66 PolarHBondContact O-N 3.26Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 3.48Å; S66-N68 VanDerWaalsContact C-N 3.34Å; S66-E69 PolarHBondContact O-N 3.3Å; S66-Q70 PolarHBondContact O-N 3.08Å
67I49.6Very low45.8Very low97 Ų97129 Ų12950%0.49766%0.66SS.*Hα-helixtrans-71.5-32.6179.4-67.6164.7000111K63 L64 E69 Q70 G71K63-I67 HydrophobicContact CG-CD1 4.17Å; K63-I67 WeakPolarHBondContact O-CD1 3.4Å; K63-I67 VanDerWaalsContact O-CG1 3.22Å; K63-I67 WeakPolarHBondContact O-CG1 3.29Å; K63-I67 PolarHBondContact O-N 3.15Å; L64-I67 PolarHBondContact O-N 3.08Å; I67-E69 VanDerWaalsContact C-N 3.31Å; I67-E69 PolarHBondContact O-N 3.37Å; I67-Q70 PolarHBondContact O-N 2.85Å; I67-G71 PolarHBondContact O-N 3.3Å
68N41.1Very low46Very low137 Ų137132.6 Ų132.673%0.73366%0.663SS**Hα-helixtrans-69.9-29.7178.9-14832000112.5L64 S66L64-N68 PolarHBondContact O-N 2.81Å; S66-N68 VanDerWaalsContact C-N 3.34Å
69E49.1Very low45.9Very low158 Ų158131.6 Ų131.674%0.73867%0.665SS**Hα-helixtrans-78.4-29.1173.5-72.9176.7175.600112.6K65 S66 I67K65-E69 PolarHBondContact O-N 3.44Å; S66-E69 PolarHBondContact O-N 3.3Å; I67-E69 VanDerWaalsContact C-N 3.31Å; I67-E69 PolarHBondContact O-N 3.37Å
70Q45.1Very low46.3Very low155 Ų155135.7 Ų135.772%0.72468%0.676SS**Hα-helixtrans-87.5-14.3176.7-117.6176.7-8.500114.1S66 I67 Q72S66-Q70 PolarHBondContact O-N 3.08Å; I67-Q70 PolarHBondContact O-N 2.85Å; Q70-Q72 PolarHBondContact O-N 3.04Å
71G40.1Very low46.6Very low40 Ų40137.8 Ų137.841%0.41268%0.683SS.*G310 helixtrans-75.1-17.4-175.300000115.1I67 Q73I67-G71 PolarHBondContact O-N 3.3Å; G71-Q73 PolarHBondContact O-N 3.33Å; G71-Q73 VanDerWaalsContact O-N 3.14Å
72Q45Very low47Very low175 Ų175136 Ų13682%0.81868%0.678SS**G310 helixtrans-73.4-0.1-177.7-109.8-179.8-1.200115Q70Q70-Q72 PolarHBondContact O-N 3.04Å
73Q45.6Very low47.1Very low175 Ų175133 Ų13382%0.81866%0.663SS**G310 helixtrans-117.12.9-176.6-95.3-171.8-14.600116.3G71G71-Q73 PolarHBondContact O-N 3.33Å; G71-Q73 VanDerWaalsContact O-N 3.14Å
74N39.1Very low47.4Very low143 Ų143131.7 Ų131.777%0.76566%0.657SS**  trans-142.461.7-179-80.1-49.7000112.9
75D43.8Very low47.6Very low131 Ų131133.2 Ų133.270%0.70166%0.661SS**  trans-82.5-15.9-167.9-111.2-31.5000116.9
76D50.1Low48Very low163 Ų163133.3 Ų133.387%0.87266%0.662SS**SBendtrans-101.8-4-163.3-78.2-36.9000118.6
77K50.5Low48.1Very low191 Ų191135.5 Ų135.583%0.8367%0.665SS**SBendtrans-124.7-13.9-176.8-75.6-176-179.7174.40117
78K47.4Very low48.2Very low182 Ų182136.1 Ų136.179%0.79167%0.668SS**SBendtrans-89.3-27.3-174.7-143.9174-176.2179.60114K80 H81K78-K80 PolarHBondContact O-N 3.45Å; K78-H81 PolarHBondContact O-N 3.14Å
79G47.5Very low48.5Very low55 Ų55135.1 Ų135.157%0.56766%0.662SS**Hα-helixtrans-59.9-30.2-178.600000114H81 W83G79-H81 PolarHBondContact O-N 3.35Å; G79-W83 VanDerWaalsContact O-CD1 3.3Å
80K50.5Low48.6Very low162 Ų162133.2 Ų133.270%0.70465%0.653SS**Hα-helixtrans-75.2-18.7-173-135.7174.4-169.1175.10114.9K78 W83K78-K80 PolarHBondContact O-N 3.45Å; K80-W83 VanDerWaalsContact C-CD1 3.44Å; K80-W83 VanDerWaalsContact CA-CD1 3.43Å; K80-W83 PolarHBondContact O-NE1 3.39Å
81H54.1Low49.1Very low149 Ų149131.8 Ų131.869%0.6965%0.645SS**Hα-helixtrans-90.2-31.2176.5-88.4-79.7000112.6K78 G79 Q85K78-H81 PolarHBondContact O-N 3.14Å; G79-H81 PolarHBondContact O-N 3.35Å; H81-Q85 PolarHBondContact O-N 3.29Å
82D52.1Low49.8Very low106 Ų106133 Ų13357%0.56765%0.647SS**Hα-helixtrans-72.5-39.9-175.5-163.443.5000112.6K84 Q85 K86D82-K84 VanDerWaalsContact C-N 3.32Å; D82-K84 PolarHBondContact O-N 3.46Å; D82-Q85 PolarHBondContact O-N 3.41Å; D82-K86 PolarHBondContact O-N 2.96Å
83W51.8Low50.4Low109 Ų109129 Ų12941%0.41363%0.631SS.*Hα-helixtrans-64.1-35.7177.974.5-90.2000112.9G79 K80 K86 Q87G79-W83 VanDerWaalsContact O-CD1 3.3Å; K80-W83 VanDerWaalsContact C-CD1 3.44Å; K80-W83 VanDerWaalsContact CA-CD1 3.43Å; K80-W83 PolarHBondContact O-NE1 3.39Å; W83-K86 PolarHBondContact O-N 3.43Å; W83-Q87 HydrophobicContact CE3-CG 4.36Å; W83-Q87 WeakPolarHBondContact O-CG 3.16Å; W83-Q87 PolarHBondContact O-N 3.47Å
84K52.3Low51.1Low116 Ų116125.6 Ų125.650%0.50462%0.615SS.*Hα-helixtrans-66.9-43.2177.4-78.4-168.3176.2-175.80111.2D82 Q87 I88D82-K84 VanDerWaalsContact C-N 3.32Å; D82-K84 PolarHBondContact O-N 3.46Å; K84-Q87 PolarHBondContact O-N 3.49Å; K84-I88 VanDerWaalsContact O-CG1 3.3Å; K84-I88 WeakPolarHBondContact O-CG1 3.46Å; K84-I88 PolarHBondContact O-N 3.14Å
85Q52.4Low52.5Low136 Ų136126.5 Ų126.564%0.63661%0.609SS**Hα-helixtrans-63.7-41.6175.6-85.7-175.2-20.400111.7H81 D82 Q87 I88 L89H81-Q85 PolarHBondContact O-N 3.29Å; D82-Q85 PolarHBondContact O-N 3.41Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 3.26Å; Q85-I88 PolarHBondContact O-N 3.25Å; Q85-L89 PolarHBondContact O-N 3.34Å
86K51.2Low53.5Low159 Ų159125 Ų12569%0.69160%0.601SS**Hα-helixtrans-62.3-38.6177.2-159.9172.3-170.2177.80112.4D82 W83 H90D82-K86 PolarHBondContact O-N 2.96Å; W83-K86 PolarHBondContact O-N 3.43Å; K86-H90 WeakPolarHBondContact O-CB 3.5Å; K86-H90 PolarHBondContact O-N 3.45Å; K86-H90 VanDerWaalsContact O-N 3.09Å
87Q51.5Low54.3Low107 Ų107123.2 Ų123.250%0.559%0.59SS.*Hα-helixtrans-68.3-40.3174.8-75.1-172.84.200113.1W83 K84 Q85 H90 K91W83-Q87 HydrophobicContact CE3-CG 4.36Å; W83-Q87 WeakPolarHBondContact O-CG 3.16Å; W83-Q87 PolarHBondContact O-N 3.47Å; K84-Q87 PolarHBondContact O-N 3.49Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 3.26Å; Q87-H90 PolarHBondContact O-N 3.13Å; Q87-K91 PolarHBondContact O-N 2.96Å
88I52.5Low55.3Low109 Ų109118.8 Ų118.856%0.55957%0.574SS**Hα-helixtrans-63.3-46.1177.8-67.2165.2000109.9K84 Q85 H90 K91 S92K84-I88 VanDerWaalsContact O-CG1 3.3Å; K84-I88 WeakPolarHBondContact O-CG1 3.46Å; K84-I88 PolarHBondContact O-N 3.14Å; Q85-I88 PolarHBondContact O-N 3.25Å; I88-H90 VanDerWaalsContact C-N 3.34Å; I88-H90 PolarHBondContact O-N 3.45Å; I88-K91 PolarHBondContact O-N 3.28Å; I88-S92 PolarHBondContact O-N 3.13Å; I88-S92 PolarHBondContact O-OG 2.98Å
89L47.8Very low56.6Low116 Ų116114.2 Ų114.261%0.60756%0.562SS**Hα-helixtrans-61.9-42.2178.7-170.666.7000111.9Q85 S92 N93Q85-L89 PolarHBondContact O-N 3.34Å; L89-S92 PolarHBondContact O-N 3.5Å; L89-N93 PolarHBondContact O-N 3.43Å; L89-N93 VanDerWaalsContact O-N 3.13Å
90H50.7Low57.8Low118 Ų118115.7 Ų115.755%0.54656%0.556SS.*Hα-helixtrans-66.2-40.2178.1-164.7-84.6000112.4K86 Q87 I88 N93 Q94K86-H90 WeakPolarHBondContact O-CB 3.5Å; K86-H90 PolarHBondContact O-N 3.45Å; K86-H90 VanDerWaalsContact O-N 3.09Å; Q87-H90 PolarHBondContact O-N 3.13Å; I88-H90 VanDerWaalsContact C-N 3.34Å; I88-H90 PolarHBondContact O-N 3.45Å; H90-N93 PolarHBondContact O-N 3.42Å; H90-Q94 PolarHBondContact O-N 2.99Å
91K54.4Low58.8Low126 Ų126109.5 Ų109.555%0.54854%0.538SS..Hα-helixtrans-64.4-45.1175.3-78.9-174.3178.3-176.70111.7Q87 I88 N93 Q94 Y95Q87-K91 PolarHBondContact O-N 2.96Å; I88-K91 PolarHBondContact O-N 3.28Å; K91-N93 VanDerWaalsContact C-N 3.28Å; K91-N93 PolarHBondContact O-N 3.09Å; K91-Q94 PolarHBondContact O-N 3.25Å; K91-Q94 VanDerWaalsContact O-N 3.14Å; K91-Y95 WeakPolarHBondContact O-CD2 3.44Å; K91-Y95 PolarHBondContact O-N 3.05Å
92S55.6Low60Low66 Ų66107.8 Ų107.846%0.46253%0.533SS..Hα-helixtrans-59.8-38.4178.3-68.10000112.4I88 L89 Q94 Y95 L96I88-S92 PolarHBondContact O-N 3.13Å; I88-S92 PolarHBondContact O-OG 2.98Å; L89-S92 PolarHBondContact O-N 3.5Å; S92-Q94 PolarHBondContact O-N 2.86Å; S92-Y95 PolarHBondContact O-N 3.29Å; S92-L96 PolarHBondContact O-N 2.83Å; S92-L96 VanDerWaalsContact O-N 3.14Å
93N57.3Low61.2Low89 Ų89109.5 Ų109.548%0.47654%0.536SS..Hα-helixtrans-66.2-35.8176.4-76.9-5000112.9L89 H90 K91 L96 L97L89-N93 PolarHBondContact O-N 3.43Å; L89-N93 VanDerWaalsContact O-N 3.13Å; H90-N93 PolarHBondContact O-N 3.42Å; K91-N93 VanDerWaalsContact C-N 3.28Å; K91-N93 PolarHBondContact O-N 3.09Å; N93-L96 PolarHBondContact O-N 3.01Å; N93-L97 WeakPolarHBondContact O-CG 3.31Å; N93-L97 PolarHBondContact O-N 3.37Å
94Q60.4Low62.1Low105 Ų105107.5 Ų107.549%0.49154%0.537SS..Hα-helixtrans-65.3-43.9177.3-73.9-175.5-44.600112H90 K91 S92 L96 L97 I98H90-Q94 PolarHBondContact O-N 2.99Å; K91-Q94 PolarHBondContact O-N 3.25Å; K91-Q94 VanDerWaalsContact O-N 3.14Å; S92-Q94 PolarHBondContact O-N 2.86Å; Q94-L96 VanDerWaalsContact C-N 3.32Å; Q94-L96 PolarHBondContact O-N 3.41Å; Q94-L97 PolarHBondContact O-N 3.43Å; Q94-I98 VanDerWaalsContact O-CG1 3.31Å; Q94-I98 WeakPolarHBondContact O-CG1 3.44Å; Q94-I98 PolarHBondContact O-N 2.97Å; Q94-I98 VanDerWaalsContact O-N 3.08Å
95Y67.7Low63.3Low162 Ų162105.1 Ų105.164%0.63554%0.535SS*.Hα-helixtrans-63.7-38.9176.4-69.8-70.4000112.1K91 S92 L97 I98 T99K91-Y95 WeakPolarHBondContact O-CD2 3.44Å; K91-Y95 PolarHBondContact O-N 3.05Å; S92-Y95 PolarHBondContact O-N 3.29Å; Y95-L97 VanDerWaalsContact C-N 3.35Å; Y95-L97 PolarHBondContact O-N 3.05Å; Y95-I98 PolarHBondContact O-N 2.78Å; Y95-T99 WeakPolarHBondContact O-CG2 3.48Å; Y95-T99 PolarHBondContact O-N 3.29Å; Y95-T99 PolarHBondContact O-OG1 3.39Å
96L65.4Low64.4Low100 Ų100105.2 Ų105.252%0.52453%0.531SS..Hα-helixtrans-65.6-36.9178.2-169.1139.4000112.3S92 N93 Q94 T99 I100S92-L96 PolarHBondContact O-N 2.83Å; S92-L96 VanDerWaalsContact O-N 3.14Å; N93-L96 PolarHBondContact O-N 3.01Å; Q94-L96 VanDerWaalsContact C-N 3.32Å; Q94-L96 PolarHBondContact O-N 3.41Å; L96-T99 WeakPolarHBondContact CA-OG1 3.12Å; L96-T99 PolarHBondContact O-OG1 3.43Å; L96-I100 HydrophobicContact CD2-CD1 3.54Å; L96-I100 HydrophobicContact CG-CD1 4.34Å; L96-I100 WeakPolarHBondContact O-CD1 3.48Å; L96-I100 VanDerWaalsContact O-CG1 3.23Å; L96-I100 WeakPolarHBondContact O-CG1 3.42Å; L96-I100 PolarHBondContact O-N 2.78Å; L96-I100 VanDerWaalsContact O-N 3.12Å
97L66.8Low65.5Low124 Ų124104.7 Ų104.765%0.64953%0.525SS*.Hα-helixtrans-68.2-38.5174-71.2171.8000112.2N93 Q94 Y95 G101N93-L97 WeakPolarHBondContact O-CG 3.31Å; N93-L97 PolarHBondContact O-N 3.37Å; Q94-L97 PolarHBondContact O-N 3.43Å; Y95-L97 VanDerWaalsContact C-N 3.35Å; Y95-L97 PolarHBondContact O-N 3.05Å; L97-G101 PolarHBondContact O-N 2.75Å
98I72.6Confident66.5Low98 Ų98104.2 Ų104.250%0.50353%0.526SS..Hα-helixtrans-65-45.4177.1-66.8165.3000110.5Q94 Y95 I100 G101 I102Q94-I98 VanDerWaalsContact O-CG1 3.31Å; Q94-I98 WeakPolarHBondContact O-CG1 3.44Å; Q94-I98 PolarHBondContact O-N 2.97Å; Q94-I98 VanDerWaalsContact O-N 3.08Å; Y95-I98 PolarHBondContact O-N 2.78Å; I98-I100 PolarHBondContact O-N 2.81Å; I98-G101 PolarHBondContact O-N 3.18Å; I98-I102 HydrophobicContact CG2-CD1 3.8Å; I98-I102 HydrophobicContact CG2-CG1 4.42Å; I98-I102 WeakPolarHBondContact O-CG1 3.23Å; I98-I102 PolarHBondContact O-N 2.73Å
99T73.3Confident67.4Low86 Ų86104.2 Ų104.253%0.52853%0.526SS..Hα-helixtrans-65.1-39.9179.753.60000112.1Y95 L96 G101 I102 F103Y95-T99 WeakPolarHBondContact O-CG2 3.48Å; Y95-T99 PolarHBondContact O-N 3.29Å; Y95-T99 PolarHBondContact O-OG1 3.39Å; L96-T99 WeakPolarHBondContact CA-OG1 3.12Å; L96-T99 PolarHBondContact O-OG1 3.43Å; T99-G101 VanDerWaalsContact C-N 3.34Å; T99-G101 PolarHBondContact O-N 3.37Å; T99-I102 PolarHBondContact O-N 3.34Å; T99-F103 WeakPolarHBondContact O-CB 3.38Å; T99-F103 PolarHBondContact O-N 2.91Å
100I72.8Confident68.7Low87 Ų87104.6 Ų104.645%0.44652%0.523SS..Hα-helixtrans-62.2-42.6172.8-67.8168.9000110.9L96 I98 F103 C104L96-I100 HydrophobicContact CD2-CD1 3.54Å; L96-I100 HydrophobicContact CG-CD1 4.34Å; L96-I100 WeakPolarHBondContact O-CD1 3.48Å; L96-I100 VanDerWaalsContact O-CG1 3.23Å; L96-I100 WeakPolarHBondContact O-CG1 3.42Å; L96-I100 PolarHBondContact O-N 2.78Å; L96-I100 VanDerWaalsContact O-N 3.12Å; I98-I100 PolarHBondContact O-N 2.81Å; I100-F103 PolarHBondContact O-N 3.38Å; I100-C104 WeakPolarHBondContact O-CB 3.42Å; I100-C104 PolarHBondContact O-N 3.5Å; I100-C104 PolarHBondContact O-SG 3.19Å; I100-C104 VanDerWaalsContact O-SG 3.38Å
101G72.4Confident69.5Low32 Ų32107.9 Ų107.933%0.3353%0.53SS..Hα-helixtrans-61.6-44.8177.900000112.9L97 I98 T99 C104 S105L97-G101 PolarHBondContact O-N 2.75Å; I98-G101 PolarHBondContact O-N 3.18Å; T99-G101 VanDerWaalsContact C-N 3.34Å; T99-G101 PolarHBondContact O-N 3.37Å; G101-C104 PolarHBondContact O-N 3.45Å; G101-S105 WeakPolarHBondContact O-CB 3.08Å; G101-S105 PolarHBondContact O-N 3.49Å; G101-S105 PolarHBondContact O-OG 3.26Å
102I78.9Confident70Confident113 Ų113110.4 Ų110.458%0.57954%0.542SS*.Hα-helixtrans-62.9-45.5176.1-66.4167.3000110.3I98 T99 C104 S105 Y106I98-I102 HydrophobicContact CG2-CD1 3.8Å; I98-I102 HydrophobicContact CG2-CG1 4.42Å; I98-I102 WeakPolarHBondContact O-CG1 3.23Å; I98-I102 PolarHBondContact O-N 2.73Å; T99-I102 PolarHBondContact O-N 3.34Å; I102-C104 PolarHBondContact O-N 2.73Å; I102-S105 PolarHBondContact O-N 3.03Å; I102-Y106 WeakPolarHBondContact O-CB 3.45Å; I102-Y106 PolarHBondContact O-N 2.9Å
103F77Confident70.5Confident142 Ų142112.8 Ų112.862%0.62355%0.554SS**Hα-helixtrans-63.4-43.1179.6-169.2-96.3000112.3T99 I100 S105 Y106 Y107T99-F103 WeakPolarHBondContact O-CB 3.38Å; T99-F103 PolarHBondContact O-N 2.91Å; I100-F103 PolarHBondContact O-N 3.38Å; F103-S105 VanDerWaalsContact C-N 3.34Å; F103-S105 PolarHBondContact O-N 3.1Å; F103-Y106 PolarHBondContact O-N 3.22Å; F103-Y107 WeakPolarHBondContact O-CB 3.3Å; F103-Y107 PolarHBondContact O-N 3.05Å
104C72.1Confident70.1Confident66 Ų66120.1 Ų120.145%0.44658%0.581SS.*Hα-helixtrans-61.6-42.4174.5-77.10000111.9I100 G101 I102 Y107 L108I100-C104 WeakPolarHBondContact O-CB 3.42Å; I100-C104 PolarHBondContact O-N 3.5Å; I100-C104 PolarHBondContact O-SG 3.19Å; I100-C104 VanDerWaalsContact O-SG 3.38Å; G101-C104 PolarHBondContact O-N 3.45Å; I102-C104 PolarHBondContact O-N 2.73Å; C104-Y107 PolarHBondContact O-N 3.02Å; C104-L108 WeakPolarHBondContact O-CB 3.42Å; C104-L108 VanDerWaalsContact O-CG 3.29Å; C104-L108 WeakPolarHBondContact O-CG 3.48Å; C104-L108 PolarHBondContact O-N 3.34Å
105S76.6Confident70.6Confident66 Ų66120.9 Ų120.946%0.46259%0.586SS.*Hα-helixtrans-65-44.6178.6-55.70000111G101 I102 F103 L108 I109G101-S105 WeakPolarHBondContact O-CB 3.08Å; G101-S105 PolarHBondContact O-N 3.49Å; G101-S105 PolarHBondContact O-OG 3.26Å; I102-S105 PolarHBondContact O-N 3.03Å; F103-S105 VanDerWaalsContact C-N 3.34Å; F103-S105 PolarHBondContact O-N 3.1Å; S105-L108 PolarHBondContact O-N 2.94Å; S105-I109 VanDerWaalsContact O-CG1 3.27Å; S105-I109 WeakPolarHBondContact O-CG1 3.43Å; S105-I109 PolarHBondContact O-N 3.36Å
106Y76Confident70.8Confident139 Ų139118.7 Ų118.755%0.54558%0.583SS.*Hα-helixtrans-61-44.8174.6176.7-96.8000112.1I102 F103 L108 I109 K110I102-Y106 WeakPolarHBondContact O-CB 3.45Å; I102-Y106 PolarHBondContact O-N 2.9Å; F103-Y106 PolarHBondContact O-N 3.22Å; Y106-L108 PolarHBondContact O-N 3.49Å; Y106-I109 PolarHBondContact O-N 3.32Å; Y106-K110 HydrophobicContact CE1-CD 3.95Å; Y106-K110 VanDerWaalsContact O-CB 3.31Å; Y106-K110 WeakPolarHBondContact O-CB 3.48Å; Y106-K110 PolarHBondContact O-N 3.46Å
107Y73.7Confident71.1Confident147 Ų147119.8 Ų119.858%0.57659%0.587SS**Hα-helixtrans-63.5-40.6178.7-170.6-94.2000112.1F103 C104 R111F103-Y107 WeakPolarHBondContact O-CB 3.3Å; F103-Y107 PolarHBondContact O-N 3.05Å; C104-Y107 PolarHBondContact O-N 3.02Å; Y107-R111 PolarHBondContact O-N 3.14Å; Y107-R111 VanDerWaalsContact O-N 3.07Å
108L71.8Confident71.3Confident97 Ų97119.5 Ų119.551%0.50858%0.583SS.*Hα-helixtrans-63.4-49174.8-74171.5000111.3C104 S105 Y106 K110 R111 F112C104-L108 WeakPolarHBondContact O-CB 3.42Å; C104-L108 VanDerWaalsContact O-CG 3.29Å; C104-L108 WeakPolarHBondContact O-CG 3.48Å; C104-L108 PolarHBondContact O-N 3.34Å; S105-L108 PolarHBondContact O-N 2.94Å; Y106-L108 PolarHBondContact O-N 3.49Å; L108-K110 VanDerWaalsContact C-N 3.34Å; L108-K110 PolarHBondContact O-N 2.88Å; L108-R111 WeakPolarHBondContact O-CB 3.49Å; L108-R111 PolarHBondContact O-N 3.19Å; L108-R111 VanDerWaalsContact O-N 3.15Å; L108-F112 VanDerWaalsContact O-CD2 3.26Å; L108-F112 WeakPolarHBondContact O-CD2 3.22Å; L108-F112 PolarHBondContact O-N 3.48Å
109I72.5Confident71.3Confident110 Ų110120.9 Ų120.956%0.56459%0.588SS**Hα-helixtrans-58-49.5177.6-66.9164.9000109.9S105 Y106 R111 F112 T113S105-I109 VanDerWaalsContact O-CG1 3.27Å; S105-I109 WeakPolarHBondContact O-CG1 3.43Å; S105-I109 PolarHBondContact O-N 3.36Å; Y106-I109 PolarHBondContact O-N 3.32Å; I109-R111 PolarHBondContact O-N 3.42Å; I109-R111 VanDerWaalsContact O-N 3.16Å; I109-F112 PolarHBondContact O-N 3.22Å; I109-T113 PolarHBondContact O-N 3.48Å; I109-T113 PolarHBondContact O-OG1 3.48Å
110K74.4Confident71.1Confident124 Ų124123.2 Ų123.254%0.53959%0.592SS.*Hα-helixtrans-58.4-31.4179.6-171173-175.5170.90113.2Y106 L108Y106-K110 HydrophobicContact CE1-CD 3.95Å; Y106-K110 VanDerWaalsContact O-CB 3.31Å; Y106-K110 WeakPolarHBondContact O-CB 3.48Å; Y106-K110 PolarHBondContact O-N 3.46Å; L108-K110 VanDerWaalsContact C-N 3.34Å; L108-K110 PolarHBondContact O-N 2.88Å
111R68.1Low71Confident186 Ų186125.8 Ų125.870%0.70260%0.602SS**Hα-helixtrans-72.9-29.9175.4-169.7-179.8-179.6-177.21.1112.8Y107 L108 I109Y107-R111 PolarHBondContact O-N 3.14Å; Y107-R111 VanDerWaalsContact O-N 3.07Å; L108-R111 WeakPolarHBondContact O-CB 3.49Å; L108-R111 PolarHBondContact O-N 3.19Å; L108-R111 VanDerWaalsContact O-N 3.15Å; I109-R111 PolarHBondContact O-N 3.42Å; I109-R111 VanDerWaalsContact O-N 3.16Å
112F65.1Low70.9Confident179 Ų179133 Ų13379%0.78562%0.623SS**Hα-helixtrans-87-22.7177.4-78.5-75.7000113.3L108 I109 K114L108-F112 VanDerWaalsContact O-CD2 3.26Å; L108-F112 WeakPolarHBondContact O-CD2 3.22Å; L108-F112 PolarHBondContact O-N 3.48Å; I109-F112 PolarHBondContact O-N 3.22Å; F112-K114 VanDerWaalsContact C-N 3.3Å
113T65.3Low70.2Confident117 Ų117134.7 Ų134.772%0.71863%0.627SS**  trans-82.8-2.5176.7-300000113.7I109I109-T113 PolarHBondContact O-N 3.48Å; I109-T113 PolarHBondContact O-OG1 3.48Å
114K50.1Low69.6Low243 Ų243134 Ų134100%1.05763%0.627SS**  trans-119.40179.8-161.1-176.9-174.1-173.70110.7F112F112-K114 VanDerWaalsContact C-N 3.3Å

Retrieved 114 of 114 residues in 87.7 ms (Link to these results)