A0A5K4F603_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F603, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 100 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
1M57.2Low71.9Confident185 Ų185123.6 Ų123.691%0.91162%0.618SS**  0-48.80-153.1169.5-17700112S3 M4 F5M1-S3 PolarHBondContact O-N 3.28Å; M1-M4 PolarHBondContact O-N 3.35Å; M1-F5 HydrophobicContact CG-CE2 4.29Å
2Y60.9Low73.4Confident199 Ų199121 Ų12178%0.7861%0.608SS**Hα-helixtrans-59.1-37177.2-71.8-78.9000115.4M4 F5 N6Y2-M4 VanDerWaalsContact C-N 3.27Å; Y2-M4 PolarHBondContact O-N 3.29Å; Y2-F5 PolarHBondContact O-N 3.39Å; Y2-N6 PolarHBondContact O-N 3.44Å; Y2-N6 PolarHBondContact O-ND2 2.95Å
3S62Low74.8Confident96 Ų96116.8 Ų116.867%0.67160%0.596SS**Hα-helixtrans-61.6-32.6-179.655.50000113.7M1 N6 L7M1-S3 PolarHBondContact O-N 3.28Å; S3-N6 PolarHBondContact O-N 3.35Å; S3-L7 PolarHBondContact O-N 3.36Å
4M63Low76.1Confident154 Ų154113.4 Ų113.476%0.75958%0.577SS**Hα-helixtrans-73.7-31.1-176.6-170.8173.515100112.4M1 Y2 P8M1-M4 PolarHBondContact O-N 3.35Å; Y2-M4 VanDerWaalsContact C-N 3.27Å; Y2-M4 PolarHBondContact O-N 3.29Å; M4-P8 WeakPolarHBondContact O-CD 3.37Å
5F65.7Low77.4Confident141 Ų141111 Ų11162%0.61857%0.565SS**Hα-helixtrans-80.9-22.3173.9-67.4-73.9000113.2M1 Y2 T9M1-F5 HydrophobicContact CG-CE2 4.29Å; Y2-F5 PolarHBondContact O-N 3.39Å; F5-T9 PolarHBondContact O-OG1 3.38Å
6N71.1Confident78.6Confident99 Ų99109.1 Ų109.153%0.52956%0.555SS.*Hα-helixtrans-75.6-25.9177.7-73.8-21.4000113.1Y2 S3 T9 Y10Y2-N6 PolarHBondContact O-N 3.44Å; Y2-N6 PolarHBondContact O-ND2 2.95Å; S3-N6 PolarHBondContact O-N 3.35Å; N6-T9 VanDerWaalsContact CA-OG1 3.3Å; N6-T9 WeakPolarHBondContact CA-OG1 3.17Å; N6-T9 PolarHBondContact O-OG1 2.92Å; N6-Y10 WeakPolarHBondContact O-CB 3.41Å; N6-Y10 PolarHBondContact O-N 2.94Å
7L75.5Confident79.6Confident108 Ų108106.8 Ų106.857%0.56554%0.542SS*.Hα-helixtrans-69.6-48.2-177.7-17372.3000112.9S3 T9 Y10 L11S3-L7 PolarHBondContact O-N 3.36Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-T9 PolarHBondContact O-N 3.03Å; L7-Y10 PolarHBondContact O-N 2.97Å; L7-L11 HydrophobicContact CG-CD1 4.18Å; L7-L11 WeakPolarHBondContact O-CG 3.3Å; L7-L11 PolarHBondContact O-N 3.44Å
8P81.6Confident80.6Confident69 Ų69107.7 Ų107.745%0.44854%0.544SS..Hα-helixtrans-61.8-40.8175.9-22.833.3000112.6M4 L11 N12M4-P8 WeakPolarHBondContact O-CD 3.37Å; P8-L11 PolarHBondContact O-N 3.02Å; P8-N12 WeakPolarHBondContact O-CB 3.13Å; P8-N12 VanDerWaalsContact O-CG 3.23Å; P8-N12 PolarHBondContact O-N 3.46Å; P8-N12 PolarHBondContact O-ND2 2.97Å
9T83.5Confident81.5Confident85 Ų85107.8 Ų107.852%0.52154%0.542SS..Hα-helixtrans-66.4-41.2179.2450000111.7F5 N6 L7 S13F5-T9 PolarHBondContact O-OG1 3.38Å; N6-T9 VanDerWaalsContact CA-OG1 3.3Å; N6-T9 WeakPolarHBondContact CA-OG1 3.17Å; N6-T9 PolarHBondContact O-OG1 2.92Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-T9 PolarHBondContact O-N 3.03Å; T9-S13 PolarHBondContact O-N 3.38Å
10Y83.7Confident82.3Confident135 Ų135107.6 Ų107.653%0.52954%0.538SS..Hα-helixtrans-63.1-47.9174.2177-100.8000112.7N6 L7 N12 S13 Q14N6-Y10 WeakPolarHBondContact O-CB 3.41Å; N6-Y10 PolarHBondContact O-N 2.94Å; L7-Y10 PolarHBondContact O-N 2.97Å; Y10-N12 VanDerWaalsContact C-N 3.34Å; Y10-N12 PolarHBondContact O-N 2.95Å; Y10-S13 WeakPolarHBondContact O-CB 3.45Å; Y10-S13 PolarHBondContact O-N 2.97Å; Y10-Q14 HydrophobicContact CD1-CG 4.45Å; Y10-Q14 HydrophobicContact CE1-CG 4.01Å; Y10-Q14 HydrophobicContact CE2-CG 4.31Å; Y10-Q14 PolarHBondContact O-N 3.09Å; Y10-Q14 PolarHBondContact OH-NE2 3.18Å
11L86.4Confident83.1Confident89 Ų89109.1 Ų109.147%0.46654%0.537SS..Hα-helixtrans-60.9-44.2177.9-72.6171.7000111.4L7 P8 S13 Q14 I15L7-L11 HydrophobicContact CG-CD1 4.18Å; L7-L11 WeakPolarHBondContact O-CG 3.3Å; L7-L11 PolarHBondContact O-N 3.44Å; P8-L11 PolarHBondContact O-N 3.02Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-S13 PolarHBondContact O-N 3.48Å; L11-Q14 PolarHBondContact O-N 3.48Å; L11-I15 WeakPolarHBondContact O-CG1 3.33Å; L11-I15 PolarHBondContact O-N 3.41Å
12N90.6Very high85.1Confident92 Ų92104.9 Ų104.949%0.49252%0.518SS..Hα-helixtrans-59.1-43.1174.9-76.9-34.2000111.6P8 Y10 Q14 I15 I16P8-N12 WeakPolarHBondContact O-CB 3.13Å; P8-N12 VanDerWaalsContact O-CG 3.23Å; P8-N12 PolarHBondContact O-N 3.46Å; P8-N12 PolarHBondContact O-ND2 2.97Å; Y10-N12 VanDerWaalsContact C-N 3.34Å; Y10-N12 PolarHBondContact O-N 2.95Å; N12-Q14 VanDerWaalsContact C-N 3.33Å; N12-Q14 PolarHBondContact O-N 3.42Å; N12-I15 PolarHBondContact O-N 3.26Å; N12-I16 WeakPolarHBondContact O-CB 3.49Å; N12-I16 WeakPolarHBondContact O-CD1 3.34Å; N12-I16 WeakPolarHBondContact O-CG1 3.32Å; N12-I16 PolarHBondContact O-N 3.21Å
13S90.5Very high86.8Confident66 Ų6699.5 Ų99.546%0.46250%0.502SS..Hα-helixtrans-59.8-42.1176-170.20000112.1T9 Y10 L11 I16 E17T9-S13 PolarHBondContact O-N 3.38Å; Y10-S13 WeakPolarHBondContact O-CB 3.45Å; Y10-S13 PolarHBondContact O-N 2.97Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-S13 PolarHBondContact O-N 3.48Å; S13-I16 PolarHBondContact O-N 3.05Å; S13-E17 WeakPolarHBondContact O-CG 3.46Å; S13-E17 PolarHBondContact O-N 2.76Å; S13-E17 VanDerWaalsContact O-N 3.09Å
14Q93.9Very high88.6Confident70 Ų7099.2 Ų99.233%0.32749%0.492SS..Hα-helixtrans-67.4-42.2179.1-69.2-71.218.400112.2Y10 L11 N12 I16 E17 Q18Y10-Q14 HydrophobicContact CD1-CG 4.45Å; Y10-Q14 HydrophobicContact CE1-CG 4.01Å; Y10-Q14 HydrophobicContact CE2-CG 4.31Å; Y10-Q14 PolarHBondContact O-N 3.09Å; Y10-Q14 PolarHBondContact OH-NE2 3.18Å; L11-Q14 PolarHBondContact O-N 3.48Å; N12-Q14 VanDerWaalsContact C-N 3.33Å; N12-Q14 PolarHBondContact O-N 3.42Å; Q14-I16 VanDerWaalsContact C-N 3.34Å; Q14-I16 PolarHBondContact O-N 3.17Å; Q14-E17 PolarHBondContact O-N 2.95Å; Q14-Q18 WeakPolarHBondContact O-CG 3.2Å; Q14-Q18 PolarHBondContact O-N 2.88Å
15I95.6Very high90.3Very high77 Ų7797.7 Ų97.740%0.39548%0.483SS..Hα-helixtrans-61.5-45176.8-68.3165.7000110.3L11 N12 E17 Q18 Q19L11-I15 WeakPolarHBondContact O-CG1 3.33Å; L11-I15 PolarHBondContact O-N 3.41Å; N12-I15 PolarHBondContact O-N 3.26Å; I15-E17 VanDerWaalsContact C-N 3.32Å; I15-E17 PolarHBondContact O-N 3.49Å; I15-Q18 PolarHBondContact O-N 3.49Å; I15-Q19 HydrophobicContact CG2-CG 4.35Å; I15-Q19 WeakPolarHBondContact O-CB 3.42Å; I15-Q19 WeakPolarHBondContact O-CG 3.37Å; I15-Q19 PolarHBondContact O-N 3.26Å
16I95.6Very high91.8Very high80 Ų8094.8 Ų94.841%0.4147%0.473SS..Hα-helixtrans-59.8-43.7177.8-70.3164.9000110.6N12 S13 Q14 Q18 Q19 K20N12-I16 WeakPolarHBondContact O-CB 3.49Å; N12-I16 WeakPolarHBondContact O-CD1 3.34Å; N12-I16 WeakPolarHBondContact O-CG1 3.32Å; N12-I16 PolarHBondContact O-N 3.21Å; S13-I16 PolarHBondContact O-N 3.05Å; Q14-I16 VanDerWaalsContact C-N 3.34Å; Q14-I16 PolarHBondContact O-N 3.17Å; I16-Q18 PolarHBondContact O-N 2.96Å; I16-Q19 PolarHBondContact O-N 3.48Å; I16-K20 HydrophobicContact CG2-CD 4.35Å; I16-K20 WeakPolarHBondContact O-CG 3.22Å; I16-K20 PolarHBondContact O-N 3.29Å
17E96.6Very high93.1Very high70 Ų7096.5 Ų96.533%0.32748%0.476SS..Hα-helixtrans-68.6-32.1178.3-73.2-53.9129.200113.5S13 Q14 I15 K20 R21S13-E17 WeakPolarHBondContact O-CG 3.46Å; S13-E17 PolarHBondContact O-N 2.76Å; S13-E17 VanDerWaalsContact O-N 3.09Å; Q14-E17 PolarHBondContact O-N 2.95Å; I15-E17 VanDerWaalsContact C-N 3.32Å; I15-E17 PolarHBondContact O-N 3.49Å; E17-K20 IonicContact OE1-NZ 3.11Å; E17-K20 PolarHBondContact OE1-NZ 3.28Å; E17-R21 PolarHBondContact O-N 3.41Å; E17-R21 PolarHBondContact O-NE 3.48Å
18Q96.9Very high94.2Very high124 Ų12496.7 Ų96.758%0.57947%0.473SS*.Hα-helixtrans-68.6-44.8171.7-72.7176.1-700111.5Q14 I15 I16 K20 R21 L22Q14-Q18 WeakPolarHBondContact O-CG 3.2Å; Q14-Q18 PolarHBondContact O-N 2.88Å; I15-Q18 PolarHBondContact O-N 3.49Å; I16-Q18 PolarHBondContact O-N 2.96Å; Q18-K20 PolarHBondContact O-N 3.36Å; Q18-R21 PolarHBondContact O-N 3.27Å; Q18-L22 PolarHBondContact O-N 2.93Å
19Q97.9Very high95Very high109 Ų10996.1 Ų96.151%0.50947%0.474SS..Hα-helixtrans-62-42.6177.7-73.9175.5-16.300111.9I15 I16 R21 L22 I23I15-Q19 HydrophobicContact CG2-CG 4.35Å; I15-Q19 WeakPolarHBondContact O-CB 3.42Å; I15-Q19 WeakPolarHBondContact O-CG 3.37Å; I15-Q19 PolarHBondContact O-N 3.26Å; I16-Q19 PolarHBondContact O-N 3.48Å; Q19-R21 PolarHBondContact O-N 3.47Å; Q19-L22 PolarHBondContact O-N 2.89Å; Q19-I23 WeakPolarHBondContact O-CB 3.35Å; Q19-I23 WeakPolarHBondContact O-CD1 3.47Å; Q19-I23 VanDerWaalsContact O-CG1 3.22Å; Q19-I23 WeakPolarHBondContact O-CG1 3.45Å; Q19-I23 PolarHBondContact O-N 2.95Å
20K98.1Very high95.8Very high104 Ų10497.5 Ų97.545%0.45248%0.475SS..Hα-helixtrans-57.9-47.7174.6-75.5175.6-175170.30111.8I16 E17 Q18 L22 I23 I24I16-K20 HydrophobicContact CG2-CD 4.35Å; I16-K20 WeakPolarHBondContact O-CG 3.22Å; I16-K20 PolarHBondContact O-N 3.29Å; E17-K20 IonicContact OE1-NZ 3.11Å; E17-K20 PolarHBondContact OE1-NZ 3.28Å; Q18-K20 PolarHBondContact O-N 3.36Å; K20-L22 PolarHBondContact O-N 3.35Å; K20-I23 PolarHBondContact O-N 3.37Å; K20-I24 WeakPolarHBondContact O-CG1 3.34Å; K20-I24 PolarHBondContact O-N 3.15Å
21R98.3Very high96.5Very high139 Ų13996.8 Ų96.853%0.52548%0.48SS..Hα-helixtrans-60.2-44.1177-80.8-177.2-92.2-143.8-1.3112.1E17 Q18 Q19 I24 Q25E17-R21 PolarHBondContact O-N 3.41Å; E17-R21 PolarHBondContact O-NE 3.48Å; Q18-R21 PolarHBondContact O-N 3.27Å; Q19-R21 PolarHBondContact O-N 3.47Å; R21-I24 PolarHBondContact O-N 3.06Å; R21-Q25 WeakPolarHBondContact O-CG 3.35Å; R21-Q25 PolarHBondContact O-N 3.33Å; R21-Q25 VanDerWaalsContact O-N 3.15Å
22L98.6Very high97.1Very high96 Ų9697.9 Ų97.950%0.50349%0.485SS..Hα-helixtrans-62.6-44.7177.1178.960.7000112.1Q18 Q19 K20 I24 Q25 I26Q18-L22 PolarHBondContact O-N 2.93Å; Q19-L22 PolarHBondContact O-N 2.89Å; K20-L22 PolarHBondContact O-N 3.35Å; L22-I24 VanDerWaalsContact C-N 3.3Å; L22-I24 PolarHBondContact O-N 3.33Å; L22-Q25 PolarHBondContact O-N 3.41Å; L22-I26 HydrophobicContact CD1-CD1 4.05Å; L22-I26 HydrophobicContact CD1-CG1 4.29Å; L22-I26 HydrophobicContact CG-CD1 3.89Å; L22-I26 WeakPolarHBondContact O-CG1 3.34Å; L22-I26 PolarHBondContact O-N 2.95Å
23I98.4Very high97.4Very high87 Ų87102.6 Ų102.645%0.44650%0.496SS..Hα-helixtrans-60.7-41178.7-70.6163.9000111Q19 K20 I26 K27Q19-I23 WeakPolarHBondContact O-CB 3.35Å; Q19-I23 WeakPolarHBondContact O-CD1 3.47Å; Q19-I23 VanDerWaalsContact O-CG1 3.22Å; Q19-I23 WeakPolarHBondContact O-CG1 3.45Å; Q19-I23 PolarHBondContact O-N 2.95Å; K20-I23 PolarHBondContact O-N 3.37Å; I23-I26 PolarHBondContact O-N 3.25Å; I23-K27 HydrophobicContact CG2-CD 4.18Å; I23-K27 WeakPolarHBondContact O-CG 3.48Å; I23-K27 PolarHBondContact O-N 2.92Å
24I98.4Very high97.8Very high90 Ų90102.1 Ų102.146%0.46250%0.496SS..Hα-helixtrans-60.5-50.1176.6-69.2165.1000110.3K20 R21 L22 I26 K27 E28K20-I24 WeakPolarHBondContact O-CG1 3.34Å; K20-I24 PolarHBondContact O-N 3.15Å; R21-I24 PolarHBondContact O-N 3.06Å; L22-I24 VanDerWaalsContact C-N 3.3Å; L22-I24 PolarHBondContact O-N 3.33Å; I24-I26 VanDerWaalsContact C-N 3.31Å; I24-I26 PolarHBondContact O-N 3.11Å; I24-K27 PolarHBondContact O-N 3.39Å; I24-K27 VanDerWaalsContact O-N 3.11Å; I24-E28 HydrophobicContact CG2-CG 4.4Å; I24-E28 WeakPolarHBondContact O-CG 3.48Å; I24-E28 PolarHBondContact O-N 3Å
25Q98.4Very high98Very high122 Ų122104.5 Ų104.557%0.5751%0.507SS*.Hα-helixtrans-59.5-41.1179-68.9175.827.200112.5R21 L22 E28 A29R21-Q25 WeakPolarHBondContact O-CG 3.35Å; R21-Q25 PolarHBondContact O-N 3.33Å; R21-Q25 VanDerWaalsContact O-N 3.15Å; L22-Q25 PolarHBondContact O-N 3.41Å; Q25-E28 PolarHBondContact O-N 3.42Å; Q25-A29 WeakPolarHBondContact O-CB 3.43Å; Q25-A29 PolarHBondContact O-N 2.97Å
26I98.7Very high98.1Very high80 Ų80106.8 Ų106.841%0.4152%0.52SS..Hα-helixtrans-62.7-44.7176.9-69.4168.4000110.4L22 I23 I24 A29 Q30L22-I26 HydrophobicContact CD1-CD1 4.05Å; L22-I26 HydrophobicContact CD1-CG1 4.29Å; L22-I26 HydrophobicContact CG-CD1 3.89Å; L22-I26 WeakPolarHBondContact O-CG1 3.34Å; L22-I26 PolarHBondContact O-N 2.95Å; I23-I26 PolarHBondContact O-N 3.25Å; I24-I26 VanDerWaalsContact C-N 3.31Å; I24-I26 PolarHBondContact O-N 3.11Å; I26-A29 PolarHBondContact O-N 2.99Å; I26-Q30 HydrophobicContact CG2-CG 4.39Å; I26-Q30 WeakPolarHBondContact O-CB 3.36Å; I26-Q30 VanDerWaalsContact O-CG 3.25Å; I26-Q30 WeakPolarHBondContact O-CG 3.25Å; I26-Q30 PolarHBondContact O-N 3.39Å
27K98.7Very high98.2Very high135 Ų135106.6 Ų106.659%0.58752%0.517SS*.Hα-helixtrans-63.8-43.1178.9-75.4179.7175.1-173.60112I23 I24 Q30 L31I23-K27 HydrophobicContact CG2-CD 4.18Å; I23-K27 WeakPolarHBondContact O-CG 3.48Å; I23-K27 PolarHBondContact O-N 2.92Å; I24-K27 PolarHBondContact O-N 3.39Å; I24-K27 VanDerWaalsContact O-N 3.11Å; K27-Q30 PolarHBondContact O-N 2.96Å; K27-L31 WeakPolarHBondContact O-CB 3.36Å; K27-L31 PolarHBondContact O-N 3.27Å
28E98.6Very high98.3Very high111 Ų111107 Ų10752%0.51952%0.524SS..Hα-helixtrans-62.2-45.9176.2-71.7173.7170.400111.3I24 Q25 Q30 L31 L32I24-E28 HydrophobicContact CG2-CG 4.4Å; I24-E28 WeakPolarHBondContact O-CG 3.48Å; I24-E28 PolarHBondContact O-N 3Å; Q25-E28 PolarHBondContact O-N 3.42Å; E28-Q30 VanDerWaalsContact C-N 3.33Å; E28-Q30 PolarHBondContact O-N 3.45Å; E28-L31 PolarHBondContact O-N 2.95Å; E28-L32 WeakPolarHBondContact O-CG 3.41Å; E28-L32 PolarHBondContact O-N 3.36Å
29A98.4Very high98.3Very high57 Ų57103.8 Ų103.847%0.47152%0.515SS..Hα-helixtrans-63.5-37.717700000112.8Q25 I26 R33Q25-A29 WeakPolarHBondContact O-CB 3.43Å; Q25-A29 PolarHBondContact O-N 2.97Å; I26-A29 PolarHBondContact O-N 2.99Å; A29-R33 WeakPolarHBondContact O-CB 3.4Å; A29-R33 PolarHBondContact O-N 2.92Å
30Q98.6Very high98.2Very high114 Ų114104.4 Ų104.453%0.53351%0.513SS..Hα-helixtrans-65.6-43.1175.1-76.5174.2-22.700111.9I26 K27 E28 R33 A34I26-Q30 HydrophobicContact CG2-CG 4.39Å; I26-Q30 WeakPolarHBondContact O-CB 3.36Å; I26-Q30 VanDerWaalsContact O-CG 3.25Å; I26-Q30 WeakPolarHBondContact O-CG 3.25Å; I26-Q30 PolarHBondContact O-N 3.39Å; K27-Q30 PolarHBondContact O-N 2.96Å; E28-Q30 VanDerWaalsContact C-N 3.33Å; E28-Q30 PolarHBondContact O-N 3.45Å; Q30-R33 PolarHBondContact O-N 3.14Å; Q30-A34 PolarHBondContact O-N 3.47Å
31L98.6Very high98.1Very high121 Ų121103.6 Ų103.663%0.63451%0.51SS*.Hα-helixtrans-60.3-49.5175.8179.264.8000111K27 E28 R33 A34 E35K27-L31 WeakPolarHBondContact O-CB 3.36Å; K27-L31 PolarHBondContact O-N 3.27Å; E28-L31 PolarHBondContact O-N 2.95Å; L31-R33 VanDerWaalsContact C-N 3.3Å; L31-R33 PolarHBondContact O-N 3.1Å; L31-A34 PolarHBondContact O-N 3.42Å; L31-A34 VanDerWaalsContact O-N 3.14Å; L31-E35 PolarHBondContact O-N 2.95Å
32L98.8Very high97.9Very high111 Ų111104 Ų10458%0.58151%0.512SS*.Hα-helixtrans-60.2-39.6178-71.5171000112.1E28 E35 L36E28-L32 WeakPolarHBondContact O-CG 3.41Å; E28-L32 PolarHBondContact O-N 3.36Å; L32-E35 PolarHBondContact O-N 2.93Å; L32-L36 WeakPolarHBondContact O-CB 3.42Å; L32-L36 PolarHBondContact O-N 3.44Å
33R98.2Very high97.6Very high192 Ų192105.1 Ų105.173%0.72552%0.518SS*.Hα-helixtrans-62.7-43.4175.1-179.6179.2-77.8149.1-4.2111.7A29 Q30 L31 L36 E37A29-R33 WeakPolarHBondContact O-CB 3.4Å; A29-R33 PolarHBondContact O-N 2.92Å; Q30-R33 PolarHBondContact O-N 3.14Å; L31-R33 VanDerWaalsContact C-N 3.3Å; L31-R33 PolarHBondContact O-N 3.1Å; R33-L36 PolarHBondContact O-N 3.01Å; R33-E37 WeakPolarHBondContact O-CB 3.34Å; R33-E37 PolarHBondContact O-N 3.37Å
34A98.1Very high97.2Very high55 Ų55104.6 Ų104.646%0.45552%0.516SS..Hα-helixtrans-65.8-40.7178.800000112Q30 L31 E37 T38Q30-A34 PolarHBondContact O-N 3.47Å; L31-A34 PolarHBondContact O-N 3.42Å; L31-A34 VanDerWaalsContact O-N 3.14Å; A34-E37 PolarHBondContact O-N 2.98Å; A34-T38 WeakPolarHBondContact O-CB 3.47Å; A34-T38 PolarHBondContact O-N 3.12Å; A34-T38 PolarHBondContact O-OG1 3.29Å
35E98.2Very high96.8Very high121 Ų121107.3 Ų107.357%0.56553%0.526SS*.Hα-helixtrans-65.1-44.2175.9-173.2175.9-175.300111.9L31 L32 E37 T38 C39L31-E35 PolarHBondContact O-N 2.95Å; L32-E35 PolarHBondContact O-N 2.93Å; E35-E37 VanDerWaalsContact C-N 3.33Å; E35-E37 PolarHBondContact O-N 3.35Å; E35-T38 WeakPolarHBondContact O-CB 3.39Å; E35-T38 PolarHBondContact O-N 3.28Å; E35-C39 WeakPolarHBondContact O-CB 3.44Å; E35-C39 PolarHBondContact O-N 3.41Å
36L98.5Very high96.5Very high124 Ų124105.9 Ų105.965%0.64953%0.53SS*.Hα-helixtrans-61.8-42.2176.7-175.466.5000111.5L32 R33 T38 C39 R40L32-L36 WeakPolarHBondContact O-CB 3.42Å; L32-L36 PolarHBondContact O-N 3.44Å; R33-L36 PolarHBondContact O-N 3.01Å; L36-T38 VanDerWaalsContact C-N 3.32Å; L36-T38 PolarHBondContact O-N 3.3Å; L36-C39 WeakPolarHBondContact O-CB 3.43Å; L36-C39 PolarHBondContact O-N 3.4Å; L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 3.48Å
37E97.5Very high96Very high77 Ų77104.2 Ų104.236%0.3652%0.521SS..Hα-helixtrans-65.7-38.2177.4-173.158.8-164.200111.7R33 A34 E35 R40 H41R33-E37 WeakPolarHBondContact O-CB 3.34Å; R33-E37 PolarHBondContact O-N 3.37Å; A34-E37 PolarHBondContact O-N 2.98Å; E35-E37 VanDerWaalsContact C-N 3.33Å; E35-E37 PolarHBondContact O-N 3.35Å; E37-R40 PolarHBondContact O-N 3.23Å; E37-R40 IonicContact OE1-CZ 3.3Å; E37-R40 VanDerWaalsContact OE1-CZ 3.3Å; E37-R40 IonicContact OE1-NE 2.99Å; E37-R40 PolarHBondContact OE1-NE 2.98Å; E37-R40 VanDerWaalsContact OE1-NE 3.11Å; E37-R40 IonicContact OE1-NH2 2.67Å; E37-R40 PolarHBondContact OE1-NH2 3.47Å; E37-R40 IonicContact OE2-CZ 3.88Å; E37-R40 IonicContact OE2-NE 3.74Å; E37-R40 PolarHBondContact OE2-NE 3.05Å; E37-R40 IonicContact OE2-NH2 3.95Å; E37-H41 PolarHBondContact O-N 2.7Å; E37-H41 PolarHBondContact O-ND1 3.48Å; E37-H41 IonicContact OE1-CE1 2.89Å; E37-H41 PolarHBondContact OE1-CE1 3Å; E37-H41 IonicContact OE1-ND1 3.43Å; E37-H41 PolarHBondContact OE1-ND1 3.19Å; E37-H41 IonicContact OE1-NE2 3.88Å
38T97.4Very high95.6Very high77 Ų77100.7 Ų100.747%0.47251%0.512SS..Hα-helixtrans-65.8-40.5173.8-56.30000111.5A34 E35 L36 H41 R42A34-T38 WeakPolarHBondContact O-CB 3.47Å; A34-T38 PolarHBondContact O-N 3.12Å; A34-T38 PolarHBondContact O-OG1 3.29Å; E35-T38 WeakPolarHBondContact O-CB 3.39Å; E35-T38 PolarHBondContact O-N 3.28Å; L36-T38 VanDerWaalsContact C-N 3.32Å; L36-T38 PolarHBondContact O-N 3.3Å; T38-H41 PolarHBondContact O-N 2.9Å; T38-R42 WeakPolarHBondContact O-CG 3.31Å; T38-R42 PolarHBondContact O-N 3.45Å; T38-R42 VanDerWaalsContact O-N 3.09Å
39C98.4Very high95Very high58 Ų5898 Ų9839%0.39251%0.514SS..Hα-helixtrans-61.7-46.6174.5-177.10000111.2E35 L36 H41 R42 L43E35-C39 WeakPolarHBondContact O-CB 3.44Å; E35-C39 PolarHBondContact O-N 3.41Å; L36-C39 WeakPolarHBondContact O-CB 3.43Å; L36-C39 PolarHBondContact O-N 3.4Å; C39-H41 VanDerWaalsContact C-N 3.34Å; C39-H41 PolarHBondContact O-N 2.85Å; C39-R42 PolarHBondContact O-N 3.26Å; C39-L43 WeakPolarHBondContact O-CB 3.48Å; C39-L43 PolarHBondContact O-N 2.83Å
40R95.8Very high94.4Very high122 Ų122101.4 Ų101.446%0.4652%0.52SS..Hα-helixtrans-55.2-48.2176.2-172.9-174.978.988.53.7111.5L36 E37 L43 L44L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 3.48Å; E37-R40 PolarHBondContact O-N 3.23Å; E37-R40 IonicContact OE1-CZ 3.3Å; E37-R40 VanDerWaalsContact OE1-CZ 3.3Å; E37-R40 IonicContact OE1-NE 2.99Å; E37-R40 PolarHBondContact OE1-NE 2.98Å; E37-R40 VanDerWaalsContact OE1-NE 3.11Å; E37-R40 IonicContact OE1-NH2 2.67Å; E37-R40 PolarHBondContact OE1-NH2 3.47Å; E37-R40 IonicContact OE2-CZ 3.88Å; E37-R40 IonicContact OE2-NE 3.74Å; E37-R40 PolarHBondContact OE2-NE 3.05Å; E37-R40 IonicContact OE2-NH2 3.95Å; R40-L43 PolarHBondContact O-N 3.11Å; R40-L44 HydrophobicContact CG-CD1 4.22Å; R40-L44 WeakPolarHBondContact O-CG 3.31Å; R40-L44 PolarHBondContact O-N 3.43Å
41H95.1Very high93.8Very high87 Ų8799.2 Ų99.240%0.40351%0.511SS..Hα-helixtrans-60.6-50.5178.1-77.895.3000112.2E37 T38 C39 L43 L44 E45E37-H41 PolarHBondContact O-N 2.7Å; E37-H41 PolarHBondContact O-ND1 3.48Å; E37-H41 IonicContact OE1-CE1 2.89Å; E37-H41 PolarHBondContact OE1-CE1 3Å; E37-H41 IonicContact OE1-ND1 3.43Å; E37-H41 PolarHBondContact OE1-ND1 3.19Å; E37-H41 IonicContact OE1-NE2 3.88Å; T38-H41 PolarHBondContact O-N 2.9Å; C39-H41 VanDerWaalsContact C-N 3.34Å; C39-H41 PolarHBondContact O-N 2.85Å; H41-L43 VanDerWaalsContact C-N 3.31Å; H41-L43 PolarHBondContact O-N 2.89Å; H41-L44 PolarHBondContact O-N 2.79Å; H41-E45 WeakPolarHBondContact O-CG 3.46Å; H41-E45 PolarHBondContact O-N 3.45Å
42R94.9Very high93Very high148 Ų14897 Ų9756%0.55850%0.497SS*.Hα-helixtrans-59.8-41.4178.6-72.3-172.1-65.5154.5-3.2112.7T38 C39 E45 S46T38-R42 WeakPolarHBondContact O-CG 3.31Å; T38-R42 PolarHBondContact O-N 3.45Å; T38-R42 VanDerWaalsContact O-N 3.09Å; C39-R42 PolarHBondContact O-N 3.26Å; R42-E45 PolarHBondContact O-N 2.82Å; R42-S46 WeakPolarHBondContact O-CB 3.46Å; R42-S46 PolarHBondContact O-N 2.99Å; R42-S46 PolarHBondContact O-OG 3.14Å
43L92.1Very high92.3Very high118 Ų11894.6 Ų94.662%0.61849%0.488SS*.Hα-helixtrans-62.9-46.4177.9-178.862.8000110.8C39 R40 H41 S46C39-L43 WeakPolarHBondContact O-CB 3.48Å; C39-L43 PolarHBondContact O-N 2.83Å; R40-L43 PolarHBondContact O-N 3.11Å; H41-L43 VanDerWaalsContact C-N 3.31Å; H41-L43 PolarHBondContact O-N 2.89Å; L43-S46 WeakPolarHBondContact O-CB 2.97Å; L43-S46 PolarHBondContact O-N 2.83Å
44L89.1Confident91.8Very high77 Ų7789.8 Ų89.840%0.40348%0.477SS..Hα-helixtrans-63.8-43.1177.2-71174.8000111.4R40 H41 S46 I47 K52R40-L44 HydrophobicContact CG-CD1 4.22Å; R40-L44 WeakPolarHBondContact O-CG 3.31Å; R40-L44 PolarHBondContact O-N 3.43Å; H41-L44 PolarHBondContact O-N 2.79Å; L44-S46 PolarHBondContact O-N 3.21Å; L44-I47 HydrophobicContact CD2-CD1 4.3Å; L44-I47 PolarHBondContact O-N 3Å; L44-I47 VanDerWaalsContact O-N 3.13Å; L44-K52 WeakPolarHBondContact O-CE 3.29Å; L44-K52 PolarHBondContact O-NZ 3.42Å
45E90.2Very high91.2Very high146 Ų14690.6 Ų90.668%0.68247%0.473SS*.Hα-helixtrans-59.9-34.3176.3-75.3179.6167.100112.7H41 R42 I47H41-E45 WeakPolarHBondContact O-CG 3.46Å; H41-E45 PolarHBondContact O-N 3.45Å; R42-E45 PolarHBondContact O-N 2.82Å; E45-I47 PolarHBondContact O-N 2.67Å
46S91.8Very high90.6Very high93 Ų9388.3 Ų88.365%0.6547%0.468SS*.THydrogen-bonded Turntrans-67.9-16178.2-56.40000113.9R42 L43 L44R42-S46 WeakPolarHBondContact O-CB 3.46Å; R42-S46 PolarHBondContact O-N 2.99Å; R42-S46 PolarHBondContact O-OG 3.14Å; L43-S46 WeakPolarHBondContact O-CB 2.97Å; L43-S46 PolarHBondContact O-N 2.83Å; L44-S46 PolarHBondContact O-N 3.21Å
47I89Confident90.1Very high44 Ų4487.3 Ų87.323%0.22646%0.459CS..SBendtrans-82.1126.6178.7-55.9170.9000109.9L44 E45 I51 K52L44-I47 HydrophobicContact CD2-CD1 4.3Å; L44-I47 PolarHBondContact O-N 3Å; L44-I47 VanDerWaalsContact O-N 3.13Å; E45-I47 PolarHBondContact O-N 2.67Å; I47-I51 HydrophobicContact CG2-CB 3.82Å; I47-I51 HydrophobicContact CG2-CG2 3.78Å; I47-K52 HydrophobicContact CB-CG 3.94Å; I47-K52 HydrophobicContact CG2-CG 3.71Å; I47-K52 WeakPolarHBondContact O-CE 3.22Å; I47-K52 PolarHBondContact O-NZ 3.37Å
48P90.1Very high89.7Confident61 Ų6188.8 Ų88.840%0.39647%0.47SS..  trans-55.5143.7173.5-25.633.6000113.2H50 I51 K52P48-H50 VanDerWaalsContact C-N 3.32Å; P48-H50 VanDerWaalsContact CB-CE1 3.46Å; P48-H50 WeakPolarHBondContact CB-CE1 3.48Å; P48-H50 PolarHBondContact O-N 3.34Å; P48-I51 HydrophobicContact CB-CD1 4.28Å; P48-I51 HydrophobicContact CB-CG1 4.25Å; P48-I51 HydrophobicContact CG-CD1 3.98Å; P48-I51 HydrophobicContact CG-CG1 4.49Å; P48-I51 PolarHBondContact O-N 3Å; P48-I51 VanDerWaalsContact O-N 3.1Å; P48-K52 PolarHBondContact O-N 2.73Å
49G85.7Confident89.3Confident55 Ų5589.6 Ų89.657%0.56747%0.47SS*.Hα-helixtrans-56.4-37.8-173.800000115.3K52 C53G49-K52 WeakPolarHBondContact O-CB 3.33Å; G49-K52 PolarHBondContact O-N 3.42Å; G49-C53 PolarHBondContact O-N 3.41Å; G49-C53 VanDerWaalsContact O-N 3.15Å
50H85.8Confident88.6Confident128 Ų12891.5 Ų91.559%0.59348%0.475SS*.Hα-helixtrans-67.6-41.3177.657.9-85.9000111.9P48 K52 C53 D54P48-H50 VanDerWaalsContact C-N 3.32Å; P48-H50 VanDerWaalsContact CB-CE1 3.46Å; P48-H50 WeakPolarHBondContact CB-CE1 3.48Å; P48-H50 PolarHBondContact O-N 3.34Å; H50-K52 VanDerWaalsContact C-N 3.35Å; H50-K52 PolarHBondContact O-N 3.36Å; H50-C53 VanDerWaalsContact O-CB 3.25Å; H50-C53 WeakPolarHBondContact O-CB 3.46Å; H50-C53 PolarHBondContact O-N 2.81Å; H50-D54 PolarHBondContact O-N 3.49Å
51I85.7Confident88.2Confident68 Ų6889.6 Ų89.635%0.34947%0.474SS..Hα-helixtrans-65.6-39.1176.3-56.1-175.9000110.9I47 P48 C53 D54 I55I47-I51 HydrophobicContact CG2-CB 3.82Å; I47-I51 HydrophobicContact CG2-CG2 3.78Å; P48-I51 HydrophobicContact CB-CD1 4.28Å; P48-I51 HydrophobicContact CB-CG1 4.25Å; P48-I51 HydrophobicContact CG-CD1 3.98Å; P48-I51 HydrophobicContact CG-CG1 4.49Å; P48-I51 PolarHBondContact O-N 3Å; P48-I51 VanDerWaalsContact O-N 3.1Å; I51-C53 VanDerWaalsContact C-N 3.26Å; I51-C53 PolarHBondContact O-N 3.21Å; I51-D54 PolarHBondContact O-N 3.43Å; I51-I55 HydrophobicContact CG2-CD1 3.8Å; I51-I55 HydrophobicContact CG2-CG1 4.22Å; I51-I55 WeakPolarHBondContact O-CB 3.42Å; I51-I55 VanDerWaalsContact O-CG1 3.3Å; I51-I55 WeakPolarHBondContact O-CG1 3.45Å; I51-I55 PolarHBondContact O-N 3.19Å
52K82.9Confident87.9Confident75 Ų7590.6 Ų90.633%0.32648%0.478SS..Hα-helixtrans-56.8-43.7173.6-73.8172.8167.1140.60111.4L44 I47 P48 G49 H50 T56L44-K52 WeakPolarHBondContact O-CE 3.29Å; L44-K52 PolarHBondContact O-NZ 3.42Å; I47-K52 HydrophobicContact CB-CG 3.94Å; I47-K52 HydrophobicContact CG2-CG 3.71Å; I47-K52 WeakPolarHBondContact O-CE 3.22Å; I47-K52 PolarHBondContact O-NZ 3.37Å; P48-K52 PolarHBondContact O-N 2.73Å; G49-K52 WeakPolarHBondContact O-CB 3.33Å; G49-K52 PolarHBondContact O-N 3.42Å; H50-K52 VanDerWaalsContact C-N 3.35Å; H50-K52 PolarHBondContact O-N 3.36Å; K52-T56 VanDerWaalsContact O-CB 3.3Å; K52-T56 WeakPolarHBondContact O-CB 3.3Å; K52-T56 PolarHBondContact O-N 2.9Å; K52-T56 PolarHBondContact O-OG1 3.03Å
53C83Confident87.5Confident60 Ų6087.6 Ų87.641%0.40547%0.472SS..Hα-helixtrans-59.9-52.3176.6-159.60000110.3G49 H50 I51 I55 T56 H57G49-C53 PolarHBondContact O-N 3.41Å; G49-C53 VanDerWaalsContact O-N 3.15Å; H50-C53 VanDerWaalsContact O-CB 3.25Å; H50-C53 WeakPolarHBondContact O-CB 3.46Å; H50-C53 PolarHBondContact O-N 2.81Å; I51-C53 VanDerWaalsContact C-N 3.26Å; I51-C53 PolarHBondContact O-N 3.21Å; C53-I55 PolarHBondContact O-N 3.49Å; C53-T56 PolarHBondContact O-N 3.25Å; C53-T56 VanDerWaalsContact O-N 3.14Å; C53-H57 PolarHBondContact O-CD2 2.87Å; C53-H57 PolarHBondContact O-N 3.09Å; C53-H57 PolarHBondContact SG-CD2 3.21Å; C53-H57 PolarHBondContact SG-NE2 3.46Å
54D87.4Confident87.2Confident91 Ų9183.8 Ų83.849%0.48746%0.461SS..Hα-helixtrans-59.3-44.6179.8-65-22.8000112.4H50 I51 T56 H57 N58H50-D54 PolarHBondContact O-N 3.49Å; I51-D54 PolarHBondContact O-N 3.43Å; D54-T56 VanDerWaalsContact C-N 3.35Å; D54-H57 PolarHBondContact O-N 3Å; D54-N58 WeakPolarHBondContact O-CB 3.46Å; D54-N58 VanDerWaalsContact O-CG 3.32Å; D54-N58 PolarHBondContact O-N 2.79Å; D54-N58 PolarHBondContact O-ND2 3.36Å
55I86.3Confident87.1Confident73 Ų7386.6 Ų86.637%0.37447%0.466SS..Hα-helixtrans-60.9-47.2176.2-69.7169.7000110.1I51 C53 H57 N58 I59I51-I55 HydrophobicContact CG2-CD1 3.8Å; I51-I55 HydrophobicContact CG2-CG1 4.22Å; I51-I55 WeakPolarHBondContact O-CB 3.42Å; I51-I55 VanDerWaalsContact O-CG1 3.3Å; I51-I55 WeakPolarHBondContact O-CG1 3.45Å; I51-I55 PolarHBondContact O-N 3.19Å; C53-I55 PolarHBondContact O-N 3.49Å; I55-H57 PolarHBondContact O-N 2.9Å; I55-N58 PolarHBondContact O-N 3.31Å; I55-I59 HydrophobicContact CG2-CD1 3.56Å; I55-I59 HydrophobicContact CG2-CG1 4.28Å; I55-I59 WeakPolarHBondContact O-CB 3.35Å; I55-I59 VanDerWaalsContact O-CG1 3.29Å; I55-I59 WeakPolarHBondContact O-CG1 3.13Å; I55-I59 PolarHBondContact O-N 3.28Å
56T85.1Confident86.8Confident73 Ų7382.7 Ų82.745%0.44845%0.45SS..Hα-helixtrans-61.9-46.4-178.1-58.10000110.7K52 C53 D54 I59 I60K52-T56 VanDerWaalsContact O-CB 3.3Å; K52-T56 WeakPolarHBondContact O-CB 3.3Å; K52-T56 PolarHBondContact O-N 2.9Å; K52-T56 PolarHBondContact O-OG1 3.03Å; C53-T56 PolarHBondContact O-N 3.25Å; C53-T56 VanDerWaalsContact O-N 3.14Å; D54-T56 VanDerWaalsContact C-N 3.35Å; T56-I59 PolarHBondContact O-N 3.4Å; T56-I60 HydrophobicContact CG2-CD1 3.65Å; T56-I60 HydrophobicContact CG2-CG1 4.37Å; T56-I60 WeakPolarHBondContact O-CB 3.28Å; T56-I60 VanDerWaalsContact O-CG1 3.22Å; T56-I60 WeakPolarHBondContact O-CG1 3.22Å; T56-I60 PolarHBondContact O-N 3.06Å
57H89.4Confident86.3Confident103 Ų10385 Ų8548%0.47745%0.449SS..Hα-helixtrans-60.5-48.2175.2-74.2-63.1000112C53 D54 I55 I59 I60 D61C53-H57 PolarHBondContact O-CD2 2.87Å; C53-H57 PolarHBondContact O-N 3.09Å; C53-H57 PolarHBondContact SG-CD2 3.21Å; C53-H57 PolarHBondContact SG-NE2 3.46Å; D54-H57 PolarHBondContact O-N 3Å; I55-H57 PolarHBondContact O-N 2.9Å; H57-I59 VanDerWaalsContact C-N 3.33Å; H57-I59 PolarHBondContact O-N 2.96Å; H57-I60 PolarHBondContact O-N 2.88Å; H57-D61 VanDerWaalsContact O-CB 3.28Å; H57-D61 WeakPolarHBondContact O-CB 3.37Å; H57-D61 PolarHBondContact O-N 3.46Å
58N88.1Confident85.7Confident108 Ų10887.1 Ų87.158%0.57846%0.463SS*.Hα-helixtrans-60.2-41178.9-79.2-55.8000112.9D54 I55 K62D54-N58 WeakPolarHBondContact O-CB 3.46Å; D54-N58 VanDerWaalsContact O-CG 3.32Å; D54-N58 PolarHBondContact O-N 2.79Å; D54-N58 PolarHBondContact O-ND2 3.36Å; I55-N58 PolarHBondContact O-N 3.31Å; N58-K62 VanDerWaalsContact O-CB 3.31Å; N58-K62 WeakPolarHBondContact O-CB 3.47Å; N58-K62 PolarHBondContact O-N 2.84Å
59I88.7Confident84.5Confident94 Ų9488.7 Ų88.748%0.48247%0.469SS..Hα-helixtrans-68.2-47.5177.6-69.1172.3000110.3I55 T56 H57 D61 K62 L63I55-I59 HydrophobicContact CG2-CD1 3.56Å; I55-I59 HydrophobicContact CG2-CG1 4.28Å; I55-I59 WeakPolarHBondContact O-CB 3.35Å; I55-I59 VanDerWaalsContact O-CG1 3.29Å; I55-I59 WeakPolarHBondContact O-CG1 3.13Å; I55-I59 PolarHBondContact O-N 3.28Å; T56-I59 PolarHBondContact O-N 3.4Å; H57-I59 VanDerWaalsContact C-N 3.33Å; H57-I59 PolarHBondContact O-N 2.96Å; I59-D61 VanDerWaalsContact C-N 3.33Å; I59-D61 PolarHBondContact O-N 2.8Å; I59-K62 PolarHBondContact O-N 3.45Å; I59-L63 HydrophobicContact CG2-CD1 3.86Å; I59-L63 HydrophobicContact CG2-CG 4.28Å; I59-L63 WeakPolarHBondContact O-CB 3.43Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.49Å; I59-L63 PolarHBondContact O-N 3.02Å
60I85.4Confident83.5Confident98 Ų9891.9 Ų91.950%0.50347%0.473SS..Hα-helixtrans-60.1-45.1178-71.1171.2000110.4T56 H57 K62 L63 G64T56-I60 HydrophobicContact CG2-CD1 3.65Å; T56-I60 HydrophobicContact CG2-CG1 4.37Å; T56-I60 WeakPolarHBondContact O-CB 3.28Å; T56-I60 VanDerWaalsContact O-CG1 3.22Å; T56-I60 WeakPolarHBondContact O-CG1 3.22Å; T56-I60 PolarHBondContact O-N 3.06Å; H57-I60 PolarHBondContact O-N 2.88Å; I60-K62 VanDerWaalsContact C-N 3.33Å; I60-K62 PolarHBondContact O-N 2.96Å; I60-L63 PolarHBondContact O-N 3.05Å; I60-G64 PolarHBondContact O-N 2.95Å
61D86Confident82.2Confident81 Ų8192 Ų9243%0.43348%0.477SS..Hα-helixtrans-62.8-41.4178.3-73.8-11.6000111.4H57 I59 G64 R65H57-D61 VanDerWaalsContact O-CB 3.28Å; H57-D61 WeakPolarHBondContact O-CB 3.37Å; H57-D61 PolarHBondContact O-N 3.46Å; I59-D61 VanDerWaalsContact C-N 3.33Å; I59-D61 PolarHBondContact O-N 2.8Å; D61-G64 PolarHBondContact O-N 2.86Å; D61-R65 WeakPolarHBondContact O-CG 2.74Å; D61-R65 PolarHBondContact O-N 3.26Å
62K88.9Confident80.9Confident109 Ų10995.3 Ų95.347%0.47449%0.492SS..Hα-helixtrans-64.5-49.1175.9-174.8179.6-179.3-64.60111.2N58 I59 I60 G64 R65 D66N58-K62 VanDerWaalsContact O-CB 3.31Å; N58-K62 WeakPolarHBondContact O-CB 3.47Å; N58-K62 PolarHBondContact O-N 2.84Å; I59-K62 PolarHBondContact O-N 3.45Å; I60-K62 VanDerWaalsContact C-N 3.33Å; I60-K62 PolarHBondContact O-N 2.96Å; K62-G64 VanDerWaalsContact C-N 3.3Å; K62-G64 PolarHBondContact O-N 3Å; K62-R65 PolarHBondContact O-N 3.25Å; K62-R65 VanDerWaalsContact O-N 3.14Å; K62-D66 IonicContact NZ-OD1 2.7Å; K62-D66 IonicContact NZ-OD2 2.76Å; K62-D66 PolarHBondContact NZ-OD2 2.98Å; K62-D66 WeakPolarHBondContact O-CB 3.35Å; K62-D66 PolarHBondContact O-N 3.03Å
63L86Confident79.5Confident84 Ų8499.2 Ų99.244%0.4452%0.515SS..Hα-helixtrans-57.9-45.2176.7-71.8173.3000110.8I59 I60 R65 D66 F67I59-L63 HydrophobicContact CG2-CD1 3.86Å; I59-L63 HydrophobicContact CG2-CG 4.28Å; I59-L63 WeakPolarHBondContact O-CB 3.43Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.49Å; I59-L63 PolarHBondContact O-N 3.02Å; I60-L63 PolarHBondContact O-N 3.05Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 PolarHBondContact O-N 2.82Å; L63-D66 PolarHBondContact O-N 3.46Å; L63-F67 HydrophobicContact CB-CD2 4.48Å; L63-F67 HydrophobicContact CB-CE2 4.21Å; L63-F67 HydrophobicContact CD2-CE2 4.44Å; L63-F67 WeakPolarHBondContact O-CD2 3.3Å; L63-F67 PolarHBondContact O-N 2.89Å
64G85.8Confident77.9Confident38 Ų38102.3 Ų102.339%0.39253%0.533SS..Hα-helixtrans-57.3-42.9175.900000112.6I60 D61 K62 V68I60-G64 PolarHBondContact O-N 2.95Å; D61-G64 PolarHBondContact O-N 2.86Å; K62-G64 VanDerWaalsContact C-N 3.3Å; K62-G64 PolarHBondContact O-N 3Å; G64-V68 WeakPolarHBondContact O-CG2 3.46Å; G64-V68 PolarHBondContact O-N 3.3Å
65R87.2Confident76.1Confident136 Ų136103.6 Ų103.651%0.51354%0.544SS..Hα-helixtrans-68.4-42.4175-71.2-172-58.4-92.51.3112.9D61 K62 L63 F67 V68 N69D61-R65 WeakPolarHBondContact O-CG 2.74Å; D61-R65 PolarHBondContact O-N 3.26Å; K62-R65 PolarHBondContact O-N 3.25Å; K62-R65 VanDerWaalsContact O-N 3.14Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 PolarHBondContact O-N 2.82Å; R65-F67 VanDerWaalsContact C-N 3.31Å; R65-F67 PolarHBondContact O-N 3.13Å; R65-V68 PolarHBondContact O-N 2.82Å; R65-N69 WeakPolarHBondContact O-CB 3.25Å; R65-N69 PolarHBondContact O-N 2.89Å; R65-N69 PolarHBondContact O-ND2 3.39Å
66D85.2Confident73.9Confident64 Ų64106.1 Ų106.134%0.34256%0.563SS.*Hα-helixtrans-59.3-44-180-67.9-13.8000109.9K62 L63 D70K62-D66 IonicContact NZ-OD1 2.7Å; K62-D66 IonicContact NZ-OD2 2.76Å; K62-D66 PolarHBondContact NZ-OD2 2.98Å; K62-D66 WeakPolarHBondContact O-CB 3.35Å; K62-D66 PolarHBondContact O-N 3.03Å; L63-D66 PolarHBondContact O-N 3.46Å; D66-D70 PolarHBondContact O-N 3.1Å
67F79.6Confident71.9Confident143 Ų143108 Ų10863%0.62758%0.575SS**Hα-helixtrans-71.3-28.3176.6-68.4-63.3000114.8L63 R65L63-F67 HydrophobicContact CB-CD2 4.48Å; L63-F67 HydrophobicContact CB-CE2 4.21Å; L63-F67 HydrophobicContact CD2-CE2 4.44Å; L63-F67 WeakPolarHBondContact O-CD2 3.3Å; L63-F67 PolarHBondContact O-N 2.89Å; R65-F67 VanDerWaalsContact C-N 3.31Å; R65-F67 PolarHBondContact O-N 3.13Å
68V77.1Confident69.5Low87 Ų87108 Ų10853%0.52759%0.586SS.*Hα-helixtrans-75.7-38177.4169.60000111.2G64 R65 D70 N71G64-V68 WeakPolarHBondContact O-CG2 3.46Å; G64-V68 PolarHBondContact O-N 3.3Å; R65-V68 PolarHBondContact O-N 2.82Å; V68-D70 VanDerWaalsContact C-N 3.34Å; V68-D70 PolarHBondContact O-N 3.22Å; V68-N71 PolarHBondContact O-N 3.42Å
69N65.4Low67.2Low95 Ų95109.8 Ų109.851%0.50860%0.595SS.*Hα-helixtrans-70.8-29.7-176.3-68.5-23.9000112.6R65 N71 Q72R65-N69 WeakPolarHBondContact O-CB 3.25Å; R65-N69 PolarHBondContact O-N 2.89Å; R65-N69 PolarHBondContact O-ND2 3.39Å; N69-N71 PolarHBondContact O-N 3.26Å; N69-Q72 PolarHBondContact O-N 3.14Å; N69-Q72 VanDerWaalsContact O-N 3.12Å
70D63.7Low64.9Low122 Ų122112.4 Ų112.465%0.65261%0.61SS**Hα-helixtrans-62.5-28.9175.4-72.4-23.4000112.5D66 V68 Q72D66-D70 PolarHBondContact O-N 3.1Å; V68-D70 VanDerWaalsContact C-N 3.34Å; V68-D70 PolarHBondContact O-N 3.22Å; D70-Q72 VanDerWaalsContact C-N 3.35Å
71N59.1Low62.8Low129 Ų129115.2 Ų115.269%0.6963%0.625SS**THydrogen-bonded Turntrans-81.3-8.4177.6-70.2-28.5000114.1V68 N69V68-N71 PolarHBondContact O-N 3.42Å; N69-N71 PolarHBondContact O-N 3.26Å
72Q58Low60.4Low139 Ų139117.3 Ų117.365%0.6564%0.64SS**THydrogen-bonded Turntrans-90.8-9.9178.2-82.4-164.942.400114.2N69 D70 T74N69-Q72 PolarHBondContact O-N 3.14Å; N69-Q72 VanDerWaalsContact O-N 3.12Å; D70-Q72 VanDerWaalsContact C-N 3.35Å; Q72-T74 PolarHBondContact O-N 2.96Å; Q72-T74 VanDerWaalsContact O-N 3.1Å
73L53.3Low57.8Low157 Ų157116.9 Ų116.982%0.82265%0.651SS**THydrogen-bonded Turntrans-74.73.6-177.5-159.260.2000114.3
74T50.7Low55.4Low125 Ų125119 Ų11977%0.76767%0.668SS**THydrogen-bonded Turntrans-110.25.1178.753.80000116Q72Q72-T74 PolarHBondContact O-N 2.96Å; Q72-T74 VanDerWaalsContact O-N 3.1Å
75T48.5Very low53Low118 Ų118122.6 Ų122.672%0.72468%0.682SS**  trans-115.856.4179.67.70000112.6T77T75-T77 PolarHBondContact O-N 3.4Å
76T41.5Very low50.7Low126 Ų126122.3 Ų122.377%0.77369%0.691SS**  trans-67.8122.5154.7-39.50000107.6
77T42.3Very low48.5Very low113 Ų113129.9 Ų129.969%0.69372%0.721SS**  trans91.997.8165.2-29.90000116.7T75T75-T77 PolarHBondContact O-N 3.4Å
78S38.5Very low46.5Very low101 Ų101128.7 Ų128.771%0.70673%0.725SS**  171.3103.8113.6-75.90000112
79N40.4Very low44.7Very low146 Ų146130.8 Ų130.878%0.78173%0.734SS**  trans50.2111.9135.2-57.6-13.1000120.2
80N39.5Very low43.5Very low149 Ų149136 Ų13680%0.79775%0.748SS**  trans21.5121.1132.7-64.9-15.2000117
81I42Very low42.5Very low158 Ų158137 Ų13781%0.8175%0.754SS**  173.5110.6122.3-85.7152.2000108.9
82T35Very low41.9Very low124 Ų124137.3 Ų137.376%0.76175%0.751SS**  trans63.3109137.3-39.60000120.2
83S34.4Very low41.3Very low100 Ų100138 Ų13870%0.69976%0.759SS**  trans-2.1126144.1-52.60000117
84T35.4Very low41.1Very low128 Ų128136 Ų13679%0.78575%0.748SS**  165.8141.9107.6400000110.3
85T36.9Very low41.3Very low114 Ų114136.2 Ų136.270%0.69975%0.749SS**SBendtrans74.7119.9158.62.40000118.2
86D37.9Very low41.2Very low131 Ų131139.1 Ų139.170%0.70176%0.755SS**  trans73103154.3-51.3-31.2000117T88D86-T88 VanDerWaalsContact C-N 3.34Å; D86-T88 PolarHBondContact O-N 3.49Å
87K39.7Very low41.5Very low222 Ų222140.6 Ų140.697%0.96576%0.757SS**  trans-47.596167.8-81.3176.2172.61700109.6
88T37.3Very low42.1Very low118 Ų118143.6 Ų143.672%0.72476%0.76SS**  trans-75.4137.4177.241.40000110.4D86D86-T88 VanDerWaalsContact C-N 3.34Å; D86-T88 PolarHBondContact O-N 3.49Å
89N38.5Very low42.4Very low132 Ų132146.4 Ų146.471%0.70677%0.766SS**  trans53.478.6145.5-64.9-4.6000117N91N89-N91 PolarHBondContact O-N 2.93Å
90Y41.6Very low43.3Very low203 Ų203148 Ų14880%0.79678%0.782SS**  trans-64.490.1149.1-167.1-99.7000107.9Q92Y90-Q92 VanDerWaalsContact C-N 3.31Å; Y90-Q92 HydrophobicContact CD1-CG 3.44Å; Y90-Q92 VanDerWaalsContact CD1-CG 3.44Å; Y90-Q92 HydrophobicContact CE1-CG 3.73Å; Y90-Q92 PolarHBondContact O-N 3.06Å
91N42Very low43.5Very low145 Ų145148 Ų14878%0.77578%0.781SS**  trans-61.192.8172.5-91.8-25000108.7N89 N93N89-N91 PolarHBondContact O-N 2.93Å; N91-N93 VanDerWaalsContact C-N 3.3Å; N91-N93 PolarHBondContact O-N 2.88Å
92Q46Very low43.5Very low134 Ų134147.4 Ų147.463%0.62678%0.779SS**  trans-71.883.4172.8-71.7-155.1-20.300110Y90 I94Y90-Q92 VanDerWaalsContact C-N 3.31Å; Y90-Q92 HydrophobicContact CD1-CG 3.44Å; Y90-Q92 VanDerWaalsContact CD1-CG 3.44Å; Y90-Q92 HydrophobicContact CE1-CG 3.73Å; Y90-Q92 PolarHBondContact O-N 3.06Å; Q92-I94 HydrophobicContact CB-CD1 4.32Å; Q92-I94 HydrophobicContact CB-CG1 4.18Å; Q92-I94 HydrophobicContact CG-CD1 4.47Å; Q92-I94 PolarHBondContact O-N 2.7Å
93N46.7Very low44Very low155 Ų155148.7 Ų148.783%0.82978%0.78SS**  trans-80.365.6159.4-122.9-25.6000108.2N91 T95N91-N93 VanDerWaalsContact C-N 3.3Å; N91-N93 PolarHBondContact O-N 2.88Å; N93-T95 VanDerWaalsContact C-N 3.3Å; N93-T95 PolarHBondContact O-N 3.03Å
94I48.7Very low44.6Very low114 Ų114151.6 Ų151.659%0.58579%0.785SS**  trans-73.294.8169.6-63.4172.9000105.7Q92 Q96Q92-I94 HydrophobicContact CB-CD1 4.32Å; Q92-I94 HydrophobicContact CB-CG1 4.18Å; Q92-I94 HydrophobicContact CG-CD1 4.47Å; Q92-I94 PolarHBondContact O-N 2.7Å; I94-Q96 PolarHBondContact O-N 2.79Å
95T54.2Low45.2Very low130 Ų130153.1 Ų153.180%0.79879%0.785SS**  trans-60.7106.8166-10.10000106.2N93 L97N93-T95 VanDerWaalsContact C-N 3.3Å; N93-T95 PolarHBondContact O-N 3.03Å; T95-L97 PolarHBondContact O-N 3.15Å
96Q46.7Very low45.7Very low179 Ų179155.7 Ų155.784%0.83679%0.791SS**  trans-59.5100.6177.2-71.7177.2-19.400108.5I94 K98I94-Q96 PolarHBondContact O-N 2.79Å; Q96-K98 VanDerWaalsContact C-N 3.3Å; Q96-K98 PolarHBondContact O-N 3.17Å
97L48.8Very low46.3Very low156 Ų156157.4 Ų157.482%0.81780%0.797SS**  trans-70.893.9168.2-16776.6000106.9T95 L99T95-L97 PolarHBondContact O-N 3.15Å; L97-L99 PolarHBondContact O-N 3.48Å
98K53.5Low46.8Very low177 Ų177152.5 Ų152.577%0.7778%0.784SS**  trans-68.1100.1173.3-173.1178.5-178.4-1800108.1Q96 T100Q96-K98 VanDerWaalsContact C-N 3.3Å; Q96-K98 PolarHBondContact O-N 3.17Å; K98-T100 VanDerWaalsContact C-N 3.33Å; K98-T100 PolarHBondContact O-N 3.3Å
99L46.2Very low47.6Very low159 Ų159155.3 Ų155.383%0.83279%0.79SS**  trans-68.893.4162.4-71.8156.5000107.2L97L97-L99 PolarHBondContact O-N 3.48Å
100T57.8Low48.4Very low180 Ų180157.5 Ų157.5100%1.10480%0.797SS**  trans-77.60150.840.90000108.7K98K98-T100 VanDerWaalsContact C-N 3.33Å; K98-T100 PolarHBondContact O-N 3.3Å

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