A0A3Q0KFR3_SCHMA Loading...

Complexin, putative

Positively regulates a late step in synaptic vesicle exocytosis.

AlphaFold DB , UniProt , Accession A0A3Q0KFR3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 153 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M65.3Low76.2Confident212 Ų212105.1 Ų105.1100%1.04458%0.578SS**  0-41.20-71.2-177.6-174.600113.2S3 F4M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.28Å; M1-F4 PolarHBondContact O-N 2.8Å
2A70.1Confident76.2Confident84 Ų84105.3 Ų105.369%0.69458%0.578SS**Hα-helixtrans-57.1-35-17800000115.3F4 I5 A6A2-F4 VanDerWaalsContact C-N 3.32Å; A2-F4 PolarHBondContact O-N 3.29Å; A2-I5 PolarHBondContact O-N 2.91Å; A2-A6 PolarHBondContact O-N 3.35Å
3S72.6Confident75.8Confident100 Ų100107.9 Ų107.970%0.69958%0.583SS**Hα-helixtrans-65.8-29.617954.10000114.2M1 K7M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.28Å; S3-K7 PolarHBondContact O-N 3.32Å
4F81.2Confident75Confident130 Ų130108.2 Ų108.257%0.5758%0.584SS**Hα-helixtrans-74.6-40.6178.4-176.1-99.8000111.6M1 A2 A6 K7 Q8M1-F4 PolarHBondContact O-N 2.8Å; A2-F4 VanDerWaalsContact C-N 3.32Å; A2-F4 PolarHBondContact O-N 3.29Å; F4-A6 VanDerWaalsContact C-N 3.34Å; F4-A6 PolarHBondContact O-N 3.16Å; F4-K7 WeakPolarHBondContact O-CB 3.41Å; F4-K7 PolarHBondContact O-N 2.85Å; F4-Q8 HydrophobicContact CE1-CG 4.27Å; F4-Q8 HydrophobicContact CZ-CG 4.43Å; F4-Q8 PolarHBondContact O-N 3.48Å; F4-Q8 VanDerWaalsContact O-N 3.13Å
5I78.9Confident74.7Confident95 Ų95108.5 Ų108.549%0.48759%0.585SS.*Hα-helixtrans-63-41.4175.4-58.8-59.5000110.8A2 K7 Q8 L9A2-I5 PolarHBondContact O-N 2.91Å; I5-K7 VanDerWaalsContact C-N 3.35Å; I5-K7 PolarHBondContact O-N 2.84Å; I5-Q8 PolarHBondContact O-N 3.3Å; I5-L9 HydrophobicContact CG2-CD1 4.18Å; I5-L9 WeakPolarHBondContact O-CG 3.44Å; I5-L9 PolarHBondContact O-N 2.86Å; I5-L9 VanDerWaalsContact O-N 3.08Å
6A78.7Confident74.3Confident44 Ų44107 Ų10736%0.36459%0.585SS.*Hα-helixtrans-62.1-40.6175.200000112.5A2 F4 Q8 L9 I10A2-A6 PolarHBondContact O-N 3.35Å; F4-A6 VanDerWaalsContact C-N 3.34Å; F4-A6 PolarHBondContact O-N 3.16Å; A6-Q8 PolarHBondContact O-N 2.8Å; A6-L9 PolarHBondContact O-N 2.82Å; A6-I10 WeakPolarHBondContact O-CB 3.32Å; A6-I10 WeakPolarHBondContact O-CD1 3.44Å; A6-I10 WeakPolarHBondContact O-CG1 3.37Å; A6-I10 PolarHBondContact O-N 2.86Å
7K79.3Confident73.9Confident163 Ų163105.9 Ų105.971%0.70958%0.582SS**Hα-helixtrans-62-42.2177.5-164.590.5179.4-171.60111.9S3 F4 I5 G11S3-K7 PolarHBondContact O-N 3.32Å; F4-K7 WeakPolarHBondContact O-CB 3.41Å; F4-K7 PolarHBondContact O-N 2.85Å; I5-K7 VanDerWaalsContact C-N 3.35Å; I5-K7 PolarHBondContact O-N 2.84Å; K7-G11 PolarHBondContact O-N 3.46Å
8Q79.5Confident73.3Confident99 Ų99109.2 Ų109.246%0.46359%0.59SS.*Hα-helixtrans-67.6-41.2177.8-76.3-174.6-26.600112.4F4 I5 A6 G11 N12F4-Q8 HydrophobicContact CE1-CG 4.27Å; F4-Q8 HydrophobicContact CZ-CG 4.43Å; F4-Q8 PolarHBondContact O-N 3.48Å; F4-Q8 VanDerWaalsContact O-N 3.13Å; I5-Q8 PolarHBondContact O-N 3.3Å; A6-Q8 PolarHBondContact O-N 2.8Å; Q8-G11 PolarHBondContact O-N 3.25Å; Q8-N12 VanDerWaalsContact O-CG 3.26Å; Q8-N12 PolarHBondContact O-N 2.76Å; Q8-N12 VanDerWaalsContact O-N 3.14Å; Q8-N12 PolarHBondContact O-OD1 3.33Å
9L80.8Confident72.6Confident107 Ų107106.2 Ų106.256%0.5659%0.586SS**Hα-helixtrans-66.7-42.8177.6-69.3174.4000112.3I5 A6 Q13I5-L9 HydrophobicContact CG2-CD1 4.18Å; I5-L9 WeakPolarHBondContact O-CG 3.44Å; I5-L9 PolarHBondContact O-N 2.86Å; I5-L9 VanDerWaalsContact O-N 3.08Å; A6-L9 PolarHBondContact O-N 2.82Å; L9-Q13 WeakPolarHBondContact O-CG 3.2Å; L9-Q13 PolarHBondContact O-N 3.36Å; L9-Q13 VanDerWaalsContact O-N 3.16Å
10I77.7Confident72Confident95 Ų95104.9 Ų104.949%0.48759%0.591SS.*Hα-helixtrans-67.9-39.5177.6-69.5160.3000111A6 Q13 L14A6-I10 WeakPolarHBondContact O-CB 3.32Å; A6-I10 WeakPolarHBondContact O-CD1 3.44Å; A6-I10 WeakPolarHBondContact O-CG1 3.37Å; A6-I10 PolarHBondContact O-N 2.86Å; I10-Q13 PolarHBondContact O-N 2.98Å; I10-L14 HydrophobicContact CG2-CD1 3.85Å; I10-L14 HydrophobicContact CG2-CG 4.32Å; I10-L14 WeakPolarHBondContact O-CG 3.39Å; I10-L14 PolarHBondContact O-N 3.28Å
11G73.9Confident70.8Confident27 Ų27107.2 Ų107.228%0.27860%0.601SS.*Hα-helixtrans-58.5-50.5177.100000112.1K7 Q8 Q13 L14 D15K7-G11 PolarHBondContact O-N 3.46Å; Q8-G11 PolarHBondContact O-N 3.25Å; G11-Q13 VanDerWaalsContact C-N 3.31Å; G11-Q13 PolarHBondContact O-N 3.04Å; G11-L14 PolarHBondContact O-N 3.23Å; G11-D15 PolarHBondContact O-N 2.83Å
12N76.4Confident70Confident108 Ų108100.2 Ų100.258%0.57858%0.583SS**Hα-helixtrans-65.9-33.1-179.6-64.1-8.1000112.8Q8 S16Q8-N12 VanDerWaalsContact O-CG 3.26Å; Q8-N12 PolarHBondContact O-N 2.76Å; Q8-N12 VanDerWaalsContact O-N 3.14Å; Q8-N12 PolarHBondContact O-OD1 3.33Å; N12-S16 PolarHBondContact O-N 3Å; N12-S16 PolarHBondContact O-OG 2.99Å
13Q71.4Confident69Low139 Ų139102.6 Ų102.665%0.6558%0.584SS**Hα-helixtrans-69.9-39.7175.2-75.2-171.9-8.100112.4L9 I10 G11 V17L9-Q13 WeakPolarHBondContact O-CG 3.2Å; L9-Q13 PolarHBondContact O-N 3.36Å; L9-Q13 VanDerWaalsContact O-N 3.16Å; I10-Q13 PolarHBondContact O-N 2.98Å; G11-Q13 VanDerWaalsContact C-N 3.31Å; G11-Q13 PolarHBondContact O-N 3.04Å; Q13-V17 WeakPolarHBondContact O-CG2 3.32Å; Q13-V17 PolarHBondContact O-N 2.7Å
14L64.7Low67.6Low112 Ų112107.3 Ų107.359%0.58659%0.592SS**Hα-helixtrans-71-36.3178.5-71.2173.6000112.5I10 G11 S16 V17 K18I10-L14 HydrophobicContact CG2-CD1 3.85Å; I10-L14 HydrophobicContact CG2-CG 4.32Å; I10-L14 WeakPolarHBondContact O-CG 3.39Å; I10-L14 PolarHBondContact O-N 3.28Å; G11-L14 PolarHBondContact O-N 3.23Å; L14-S16 VanDerWaalsContact C-N 3.33Å; L14-S16 PolarHBondContact O-N 3.05Å; L14-V17 PolarHBondContact O-N 2.92Å; L14-K18 VanDerWaalsContact O-CB 3.31Å; L14-K18 WeakPolarHBondContact O-CB 3.1Å; L14-K18 PolarHBondContact O-N 3Å
15D69.7Low65.7Low113 Ų113109.1 Ų109.160%0.60460%0.599SS**Hα-helixtrans-66.3-36.3177.5-77.5-25000112.1G11 K18 G19G11-D15 PolarHBondContact O-N 2.83Å; D15-K18 PolarHBondContact O-N 2.72Å; D15-G19 PolarHBondContact O-N 2.85Å
16S68.2Low64.2Low84 Ų84112.3 Ų112.359%0.58762%0.618SS**Hα-helixtrans-66.2-40.3175.8-55.40000112.2N12 L14 A20N12-S16 PolarHBondContact O-N 3Å; N12-S16 PolarHBondContact O-OG 2.99Å; L14-S16 VanDerWaalsContact C-N 3.33Å; L14-S16 PolarHBondContact O-N 3.05Å; S16-A20 PolarHBondContact O-N 2.89Å; S16-A20 VanDerWaalsContact O-N 3.09Å
17V67.9Low62.4Low88 Ų88118 Ų11853%0.53364%0.637SS.*Hα-helixtrans-74.6-34.1178.7-178.70000111.2Q13 L14 G19 A20 L21Q13-V17 WeakPolarHBondContact O-CG2 3.32Å; Q13-V17 PolarHBondContact O-N 2.7Å; L14-V17 PolarHBondContact O-N 2.92Å; V17-G19 VanDerWaalsContact C-N 3.32Å; V17-G19 PolarHBondContact O-N 2.84Å; V17-A20 PolarHBondContact O-N 3.21Å; V17-L21 WeakPolarHBondContact O-CB 3.38Å; V17-L21 PolarHBondContact O-N 3.3Å
18K62.5Low60.3Low166 Ų166113.9 Ų113.972%0.72264%0.64SS**Hα-helixtrans-65.9-36.1174.7-169.7170.6-177.9178.80111.9L14 D15 G22L14-K18 VanDerWaalsContact O-CB 3.31Å; L14-K18 WeakPolarHBondContact O-CB 3.1Å; L14-K18 PolarHBondContact O-N 3Å; D15-K18 PolarHBondContact O-N 2.72Å; K18-G22 PolarHBondContact O-N 2.82Å
19G60.9Low58.2Low51 Ų51118.2 Ų118.253%0.52666%0.66SS.*Hα-helixtrans-65.9-42.5170.200000112.8D15 V17 L21 G22D15-G19 PolarHBondContact O-N 2.85Å; V17-G19 VanDerWaalsContact C-N 3.32Å; V17-G19 PolarHBondContact O-N 2.84Å; G19-L21 PolarHBondContact O-N 3.09Å; G19-G22 PolarHBondContact O-N 3.28Å
20A60.9Low56Low81 Ų81116.9 Ų116.967%0.66967%0.673SS**Hα-helixtrans-71.4-28.6-178.600000114.2S16 V17S16-A20 PolarHBondContact O-N 2.89Å; S16-A20 VanDerWaalsContact O-N 3.09Å; V17-A20 PolarHBondContact O-N 3.21Å
21L47.1Very low54.5Low154 Ų154118 Ų11881%0.80668%0.683SS**Hα-helixtrans-89.1-12.4178.7-143.877.9000113.2V17 G19V17-L21 WeakPolarHBondContact O-CB 3.38Å; V17-L21 PolarHBondContact O-N 3.3Å; G19-L21 PolarHBondContact O-N 3.09Å
22G46.8Very low52.8Low65 Ų65124.4 Ų124.467%0.6771%0.71SS**Hα-helixtrans-89-14-178.600000114.9K18 G19K18-G22 PolarHBondContact O-N 2.82Å; G19-G22 PolarHBondContact O-N 3.28Å
23D50.2Low50.6Low134 Ų134122.5 Ų122.572%0.71772%0.717SS**  trans-109.460.4-176.8-161.257.2000111.9
24K42.8Very low48.9Very low198 Ų198119.2 Ų119.286%0.86172%0.72SS**  trans-137.789.5160.7-136174.4-175.3-178.70109.5
25K42.1Very low48.2Very low168 Ų168126 Ų12673%0.7374%0.738SS**  trans-40.9131.3160.7-64.6176.8174-171.20110.9
26D47.3Very low47.1Very low163 Ų163129.2 Ų129.287%0.87275%0.746SS**  trans-139.6125.8136-145.1-2.1000108.6
27E39.2Very low46.3Very low164 Ų164134.1 Ų134.177%0.76676%0.76SS**  trans-99.9133.1-178.6-64.3-173.1-17700106.7
28G35.3Very low45.7Very low75 Ų75135.3 Ų135.377%0.77376%0.762SS**  trans174.875-179.900000114.4
29E36.7Very low45.3Very low191 Ų191132.9 Ų132.989%0.89376%0.757SS**  trans33.197.4136.1-155.2179.1-172.700117.8
30G35Very low45.5Very low79 Ų79135.2 Ų135.281%0.81476%0.763SS**  trans-137.761.6173.900000111.2L32G30-L32 PolarHBondContact O-N 3.48Å
31V44.6Very low45.7Very low117 Ų117139.1 Ų139.171%0.70977%0.767SS**  trans-53116.7170.7170.10000110.1
32L38.1Very low46.6Very low162 Ų162135.8 Ų135.885%0.84875%0.753SS**  trans35.1110.8135.8-51.8173.6000116.9G30G30-L32 PolarHBondContact O-N 3.48Å
33G31.8Very low47.5Very low69 Ų69137.3 Ų137.371%0.71174%0.743SS**  trans134.399.4145.800000115.3
34G34.4Very low48.4Very low69 Ų69133.1 Ų133.171%0.71173%0.726SS**  66.4111.4126.700000117.7K36G34-K36 VanDerWaalsContact C-N 3.3Å; G34-K36 PolarHBondContact O-N 2.88Å
35R50.9Low49.8Very low256 Ų256126.3 Ų126.397%0.96671%0.707SS**  trans45.849.8145.9-163.3179170.8-139.7-3.3114
36K46.6Very low51.3Low180 Ų180124 Ų12478%0.78370%0.702SS**  trans-80.9121.4155.9-76175.9-179.4173.80105.4G34 I38G34-K36 VanDerWaalsContact C-N 3.3Å; G34-K36 PolarHBondContact O-N 2.88Å; K36-I38 PolarHBondContact O-N 3.1Å
37E51.7Low52.5Low187 Ų187121.5 Ų121.587%0.87468%0.68SS**  trans-34.7108.5163-67.3166.7160.100107.1D39E37-D39 PolarHBondContact O-N 3.37Å; E37-D39 VanDerWaalsContact O-N 3.1Å
38I53.9Low54.4Low113 Ų113118.4 Ų118.458%0.57967%0.666SS**  trans-59121.1177-68.5162.4000104K36 V42 E43K36-I38 PolarHBondContact O-N 3.1Å; I38-V42 HydrophobicContact CG2-CB 3.93Å; I38-V42 HydrophobicContact CG2-CG1 4.05Å; I38-E43 HydrophobicContact CG2-CB 4.1Å
39D54.5Low56.5Low114 Ų114117.8 Ų117.861%0.6165%0.653SS**  trans-46.9130.7179.6-75.2-49.4000108.5E37 E41 V42 E43E37-D39 PolarHBondContact O-N 3.37Å; E37-D39 VanDerWaalsContact O-N 3.1Å; D39-E41 PolarHBondContact O-N 2.67Å; D39-V42 HydrophobicContact CB-CG2 4.27Å; D39-V42 PolarHBondContact O-N 3.42Å; D39-E43 PolarHBondContact O-N 3.05Å
40P65.2Low58.6Low100 Ų100113.4 Ų113.465%0.64963%0.633SS**Hα-helixtrans-56.4-22.3-171.520.7-33.2000112.9A44P40-A44 VanDerWaalsContact O-CB 3.31Å; P40-A44 WeakPolarHBondContact O-CB 3.48Å; P40-A44 PolarHBondContact O-N 3.11Å
41E66.5Low60.8Low164 Ų164114.8 Ų114.877%0.76662%0.618SS**Hα-helixtrans-72.3-38.2174.6-61.2-173.5175.700113.3D39 A44 A45D39-E41 PolarHBondContact O-N 2.67Å; E41-A44 PolarHBondContact O-N 3.2Å; E41-A45 WeakPolarHBondContact O-CB 3.48Å; E41-A45 PolarHBondContact O-N 3.43Å
42V64.6Low62.6Low84 Ų84114.9 Ų114.951%0.50961%0.609SS.*Hα-helixtrans-72.2-37.8177.4178.90000110.2I38 D39 A45 L46I38-V42 HydrophobicContact CG2-CB 3.93Å; I38-V42 HydrophobicContact CG2-CG1 4.05Å; D39-V42 HydrophobicContact CB-CG2 4.27Å; D39-V42 PolarHBondContact O-N 3.42Å; V42-A45 PolarHBondContact O-N 2.99Å; V42-L46 WeakPolarHBondContact O-CB 3.37Å; V42-L46 PolarHBondContact O-N 3.41Å
43E67.1Low64.7Low97 Ų97114.2 Ų114.245%0.45360%0.595SS.*Hα-helixtrans-66.2-39.4173.7-160.7-172.1162.400111.4I38 D39 L46 R47I38-E43 HydrophobicContact CG2-CB 4.1Å; D39-E43 PolarHBondContact O-N 3.05Å; E43-L46 PolarHBondContact O-N 2.94Å; E43-R47 VanDerWaalsContact CD-NH2 3.33Å; E43-R47 VanDerWaalsContact O-CB 3.32Å; E43-R47 WeakPolarHBondContact O-CB 3.17Å; E43-R47 PolarHBondContact O-N 3.33Å; E43-R47 IonicContact OE1-NH2 2.87Å; E43-R47 PolarHBondContact OE1-NH2 2.78Å
44A68.7Low67.2Low45 Ų45115.5 Ų115.537%0.37258%0.583SS.*Hα-helixtrans-63.9-42.3174.100000112.3P40 E41 R47 E48P40-A44 VanDerWaalsContact O-CB 3.31Å; P40-A44 WeakPolarHBondContact O-CB 3.48Å; P40-A44 PolarHBondContact O-N 3.11Å; E41-A44 PolarHBondContact O-N 3.2Å; A44-R47 PolarHBondContact O-N 2.84Å; A44-E48 WeakPolarHBondContact O-CB 3.24Å; A44-E48 PolarHBondContact O-N 3.14Å
45A72.2Confident69.7Low55 Ų55114.9 Ų114.946%0.45557%0.571SS.*Hα-helixtrans-66-38.5177.300000112.5E41 V42 E48 A49E41-A45 WeakPolarHBondContact O-CB 3.48Å; E41-A45 PolarHBondContact O-N 3.43Å; V42-A45 PolarHBondContact O-N 2.99Å; A45-E48 PolarHBondContact O-N 2.98Å; A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 2.85Å
46L72.7Confident71.5Confident120 Ų120109.7 Ų109.763%0.62856%0.556SS**Hα-helixtrans-68-40.6176.4-163.4139000111.2V42 E43 A49 E50V42-L46 WeakPolarHBondContact O-CB 3.37Å; V42-L46 PolarHBondContact O-N 3.41Å; E43-L46 PolarHBondContact O-N 2.94Å; L46-A49 PolarHBondContact O-N 3.1Å; L46-E50 PolarHBondContact O-N 2.87Å
47R74Confident73.5Confident110 Ų110105.9 Ų105.942%0.41554%0.541SS..Hα-helixtrans-63.7-43.5173.5-166.2-178.1-60.1110.11.4111.8E43 A44 A49 E50 E51E43-R47 VanDerWaalsContact CD-NH2 3.33Å; E43-R47 VanDerWaalsContact O-CB 3.32Å; E43-R47 WeakPolarHBondContact O-CB 3.17Å; E43-R47 PolarHBondContact O-N 3.33Å; E43-R47 IonicContact OE1-NH2 2.87Å; E43-R47 PolarHBondContact OE1-NH2 2.78Å; A44-R47 PolarHBondContact O-N 2.84Å; R47-A49 VanDerWaalsContact C-N 3.34Å; R47-A49 PolarHBondContact O-N 3.46Å; R47-E50 PolarHBondContact O-N 3.41Å; R47-E51 HydrophobicContact CG-CG 4.46Å; R47-E51 WeakPolarHBondContact O-CB 3.31Å; R47-E51 VanDerWaalsContact O-CG 3.29Å; R47-E51 WeakPolarHBondContact O-CG 2.98Å; R47-E51 PolarHBondContact O-N 3.05Å
48E77.1Confident75.3Confident99 Ų99103.5 Ų103.546%0.46352%0.523SS..Hα-helixtrans-64.9-37.9177.8-168.9-170.2170.200111.9A44 A45 K52A44-E48 WeakPolarHBondContact O-CB 3.24Å; A44-E48 PolarHBondContact O-N 3.14Å; A45-E48 PolarHBondContact O-N 2.98Å; E48-K52 HydrophobicContact CG-CD 4.38Å; E48-K52 WeakPolarHBondContact O-CB 3.29Å; E48-K52 VanDerWaalsContact O-CG 3.28Å; E48-K52 WeakPolarHBondContact O-CG 3.23Å; E48-K52 PolarHBondContact O-N 2.73Å; E48-K52 WeakPolarHBondContact OE1-CE 3.18Å; E48-K52 IonicContact OE1-NZ 2.88Å; E48-K52 PolarHBondContact OE1-NZ 2.8Å
49A80.5Confident77Confident62 Ų62104.1 Ų104.151%0.51252%0.522SS..Hα-helixtrans-67.2-39.917600000111.9A45 L46 R47 R53A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 2.85Å; L46-A49 PolarHBondContact O-N 3.1Å; R47-A49 VanDerWaalsContact C-N 3.34Å; R47-A49 PolarHBondContact O-N 3.46Å; A49-R53 PolarHBondContact O-N 3.22Å; A49-R53 VanDerWaalsContact O-N 3.11Å
50E81.2Confident78.6Confident99 Ų99103.8 Ų103.846%0.46352%0.518SS..Hα-helixtrans-66.3-46.5173.8-178160.2-135.700111.6L46 R47 K52 R53 E54L46-E50 PolarHBondContact O-N 2.87Å; R47-E50 PolarHBondContact O-N 3.41Å; E50-K52 VanDerWaalsContact C-N 3.34Å; E50-K52 PolarHBondContact O-N 2.74Å; E50-R53 CarbonylContact O-C 3.6Å; E50-R53 WeakPolarHBondContact O-CB 3.46Å; E50-R53 PolarHBondContact O-N 2.92Å; E50-R53 VanDerWaalsContact O-N 3.08Å; E50-R53 IonicContact OE1-NH2 2.65Å; E50-E54 WeakPolarHBondContact O-CB 3.07Å; E50-E54 PolarHBondContact O-N 3.28Å
51E79.7Confident79.8Confident108 Ų108105 Ų10551%0.50552%0.515SS..Hα-helixtrans-60.2-41176-76.4176.4-168.100111.6R47 R53 E54 A55R47-E51 HydrophobicContact CG-CG 4.46Å; R47-E51 WeakPolarHBondContact O-CB 3.31Å; R47-E51 VanDerWaalsContact O-CG 3.29Å; R47-E51 WeakPolarHBondContact O-CG 2.98Å; R47-E51 PolarHBondContact O-N 3.05Å; E51-R53 VanDerWaalsContact C-N 3.31Å; E51-R53 PolarHBondContact O-N 2.77Å; E51-E54 PolarHBondContact O-N 3.15Å; E51-A55 WeakPolarHBondContact O-CA 3.45Å; E51-A55 WeakPolarHBondContact O-CB 3.35Å; E51-A55 PolarHBondContact O-N 3.43Å
52K82.6Confident81Confident119 Ų119102.6 Ų102.652%0.51750%0.504SS..Hα-helixtrans-64.5-36.5175.1-79.6174.4-176.9165.80112.1E48 E50 K56E48-K52 HydrophobicContact CG-CD 4.38Å; E48-K52 WeakPolarHBondContact O-CB 3.29Å; E48-K52 VanDerWaalsContact O-CG 3.28Å; E48-K52 WeakPolarHBondContact O-CG 3.23Å; E48-K52 PolarHBondContact O-N 2.73Å; E48-K52 WeakPolarHBondContact OE1-CE 3.18Å; E48-K52 IonicContact OE1-NZ 2.88Å; E48-K52 PolarHBondContact OE1-NZ 2.8Å; E50-K52 VanDerWaalsContact C-N 3.34Å; E50-K52 PolarHBondContact O-N 2.74Å; K52-K56 WeakPolarHBondContact O-CB 3.29Å; K52-K56 VanDerWaalsContact O-CG 3.27Å; K52-K56 WeakPolarHBondContact O-CG 3.41Å; K52-K56 PolarHBondContact O-N 3.29Å; K52-K56 VanDerWaalsContact O-N 3.15Å
53R82.7Confident82.3Confident148 Ų148104.2 Ų104.256%0.55851%0.506SS*.Hα-helixtrans-70.4-48.2175.9-173.8-17767.4175.3-2.1110.3A49 E50 E51 K56 H57A49-R53 PolarHBondContact O-N 3.22Å; A49-R53 VanDerWaalsContact O-N 3.11Å; E50-R53 CarbonylContact O-C 3.6Å; E50-R53 WeakPolarHBondContact O-CB 3.46Å; E50-R53 PolarHBondContact O-N 2.92Å; E50-R53 VanDerWaalsContact O-N 3.08Å; E50-R53 IonicContact OE1-NH2 2.65Å; E51-R53 VanDerWaalsContact C-N 3.31Å; E51-R53 PolarHBondContact O-N 2.77Å; R53-K56 PolarHBondContact O-N 3.12Å; R53-H57 PolarHBondContact O-CD2 3.47Å; R53-H57 VanDerWaalsContact O-CD2 3.29Å; R53-H57 PolarHBondContact O-N 3.04Å
54E84Confident83.6Confident96 Ų96106.4 Ų106.445%0.44951%0.51SS..Hα-helixtrans-63.6-41.4179.2-163.2-170.2156.900111.3E50 E51 K56 H57 R58E50-E54 WeakPolarHBondContact O-CB 3.07Å; E50-E54 PolarHBondContact O-N 3.28Å; E51-E54 PolarHBondContact O-N 3.15Å; E54-K56 PolarHBondContact O-N 3.07Å; E54-H57 PolarHBondContact O-N 3.49Å; E54-R58 WeakPolarHBondContact O-CB 3.43Å; E54-R58 PolarHBondContact O-N 3.31Å; E54-R58 IonicContact OE1-CZ 3.77Å; E54-R58 IonicContact OE1-NH2 2.67Å; E54-R58 PolarHBondContact OE1-NH2 3.05Å
55A86.5Confident84.7Confident57 Ų57107.2 Ų107.247%0.47151%0.506SS..Hα-helixtrans-63.2-40.9175.500000112E51 K59E51-A55 WeakPolarHBondContact O-CA 3.45Å; E51-A55 WeakPolarHBondContact O-CB 3.35Å; E51-A55 PolarHBondContact O-N 3.43Å; A55-K59 WeakPolarHBondContact O-CB 3.46Å; A55-K59 PolarHBondContact O-N 2.85Å
56K89.7Confident85.7Confident146 Ų146109.6 Ų109.664%0.63552%0.515SS*.Hα-helixtrans-62.4-45.6172.2-78.4178.2-178.5-177.60111.5K52 R53 E54 M60K52-K56 WeakPolarHBondContact O-CB 3.29Å; K52-K56 VanDerWaalsContact O-CG 3.27Å; K52-K56 WeakPolarHBondContact O-CG 3.41Å; K52-K56 PolarHBondContact O-N 3.29Å; K52-K56 VanDerWaalsContact O-N 3.15Å; R53-K56 PolarHBondContact O-N 3.12Å; E54-K56 PolarHBondContact O-N 3.07Å; K56-M60 HydrophobicContact CB-CE 4.2Å; K56-M60 VanDerWaalsContact O-CE 3.28Å; K56-M60 WeakPolarHBondContact O-CE 3.37Å; K56-M60 WeakPolarHBondContact O-CG 3.31Å; K56-M60 PolarHBondContact O-N 3.45Å
57H89.3Confident86.7Confident101 Ų101109.7 Ų109.747%0.46851%0.514SS..Hα-helixtrans-63.4-47.3178.2-90.8-87.1000112R53 E54 K59 M60 E61R53-H57 PolarHBondContact O-CD2 3.47Å; R53-H57 VanDerWaalsContact O-CD2 3.29Å; R53-H57 PolarHBondContact O-N 3.04Å; E54-H57 PolarHBondContact O-N 3.49Å; H57-K59 PolarHBondContact O-N 3.38Å; H57-M60 PolarHBondContact O-N 2.94Å; H57-M60 VanDerWaalsContact O-N 3.12Å; H57-E61 WeakPolarHBondContact O-CG 3.49Å; H57-E61 PolarHBondContact O-N 3.28Å
58R88.3Confident87.6Confident136 Ų136109.7 Ų109.751%0.51351%0.514SS..Hα-helixtrans-57.2-47.8177.5-171.9-179.2-57.1-144.92.4111.4E54 M60 E61 E62E54-R58 WeakPolarHBondContact O-CB 3.43Å; E54-R58 PolarHBondContact O-N 3.31Å; E54-R58 IonicContact OE1-CZ 3.77Å; E54-R58 IonicContact OE1-NH2 2.67Å; E54-R58 PolarHBondContact OE1-NH2 3.05Å; R58-M60 VanDerWaalsContact C-N 3.34Å; R58-M60 PolarHBondContact O-N 2.61Å; R58-E61 PolarHBondContact O-N 3.01Å; R58-E62 WeakPolarHBondContact O-CG 3.41Å; R58-E62 PolarHBondContact O-N 3.41Å
59K90.1Very high88.4Confident126 Ų126108.2 Ų108.255%0.54851%0.506SS..Hα-helixtrans-60-43.1175.4-174.4178.3178-178.60112.3A55 H57 E61 E62 E63A55-K59 WeakPolarHBondContact O-CB 3.46Å; A55-K59 PolarHBondContact O-N 2.85Å; H57-K59 PolarHBondContact O-N 3.38Å; K59-E61 VanDerWaalsContact C-N 3.35Å; K59-E62 PolarHBondContact O-N 2.99Å; K59-E63 PolarHBondContact O-N 3.43Å; K59-E63 VanDerWaalsContact O-N 3.14Å
60M88.8Confident89.1Confident107 Ų107107.2 Ų107.253%0.52750%0.502SS..Hα-helixtrans-67.5-34177.4-76-175.1-80.600112.8K56 H57 R58 R64K56-M60 HydrophobicContact CB-CE 4.2Å; K56-M60 VanDerWaalsContact O-CE 3.28Å; K56-M60 WeakPolarHBondContact O-CE 3.37Å; K56-M60 WeakPolarHBondContact O-CG 3.31Å; K56-M60 PolarHBondContact O-N 3.45Å; H57-M60 PolarHBondContact O-N 2.94Å; H57-M60 VanDerWaalsContact O-N 3.12Å; R58-M60 VanDerWaalsContact C-N 3.34Å; R58-M60 PolarHBondContact O-N 2.61Å; M60-R64 VanDerWaalsContact O-CB 3.31Å; M60-R64 WeakPolarHBondContact O-CB 3.28Å; M60-R64 PolarHBondContact O-N 2.81Å
61E89.5Confident89.8Confident125 Ų125106.4 Ų106.458%0.58450%0.5SS*.Hα-helixtrans-71-35.5175.5-75.8176.7-172.200112.4H57 R58 K59 R64 E65H57-E61 WeakPolarHBondContact O-CG 3.49Å; H57-E61 PolarHBondContact O-N 3.28Å; R58-E61 PolarHBondContact O-N 3.01Å; K59-E61 VanDerWaalsContact C-N 3.35Å; E61-R64 WeakPolarHBondContact O-CB 3.09Å; E61-R64 PolarHBondContact O-N 3.44Å; E61-E65 WeakPolarHBondContact O-CB 3.28Å; E61-E65 PolarHBondContact O-N 3.08Å
62E91.2Very high90.5Very high115 Ų115103.2 Ų103.254%0.53748%0.484SS..Hα-helixtrans-62-51172.2-73.6169.2-165.300111.4R58 K59 R64 E65 V66R58-E62 WeakPolarHBondContact O-CG 3.41Å; R58-E62 PolarHBondContact O-N 3.41Å; K59-E62 PolarHBondContact O-N 2.99Å; E62-R64 PolarHBondContact O-N 3.45Å; E62-E65 PolarHBondContact O-N 3.11Å; E62-E65 VanDerWaalsContact O-N 3.09Å; E62-V66 WeakPolarHBondContact O-CG2 3.34Å; E62-V66 PolarHBondContact O-N 2.88Å
63E92.9Very high91.1Very high117 Ų117103 Ų10355%0.54749%0.488SS..Hα-helixtrans-58.1-38.5175.9-71.2175.4-169.100111.3K59 M67K59-E63 PolarHBondContact O-N 3.43Å; K59-E63 VanDerWaalsContact O-N 3.14Å; E63-M67 PolarHBondContact O-N 3.46Å; E63-M67 VanDerWaalsContact O-N 3.1Å
64R93.7Very high91.7Very high144 Ų144103 Ų10354%0.54349%0.492SS..Hα-helixtrans-65.8-43.1175.4-169.8-173.9178.4110.7-0.3111.9M60 E61 E62 M67 R68M60-R64 VanDerWaalsContact O-CB 3.31Å; M60-R64 WeakPolarHBondContact O-CB 3.28Å; M60-R64 PolarHBondContact O-N 2.81Å; E61-R64 WeakPolarHBondContact O-CB 3.09Å; E61-R64 PolarHBondContact O-N 3.44Å; E62-R64 PolarHBondContact O-N 3.45Å; R64-M67 PolarHBondContact O-N 3.46Å; R64-R68 VanDerWaalsContact O-CG 3.24Å; R64-R68 WeakPolarHBondContact O-CG 3.44Å; R64-R68 PolarHBondContact O-N 3.42Å
65E91.7Very high92.2Very high61 Ų61105.6 Ų105.629%0.28550%0.499SS..Hα-helixtrans-70.6-32.2178.8-175.862.4-169.100111.9E61 E62 R68 Q69 R72 K79E61-E65 WeakPolarHBondContact O-CB 3.28Å; E61-E65 PolarHBondContact O-N 3.08Å; E62-E65 PolarHBondContact O-N 3.11Å; E62-E65 VanDerWaalsContact O-N 3.09Å; E65-R68 PolarHBondContact O-N 3.4Å; E65-R68 WeakPolarHBondContact OE2-CD 3.27Å; E65-Q69 VanDerWaalsContact O-CB 3.32Å; E65-Q69 WeakPolarHBondContact O-CB 3.46Å; E65-Q69 PolarHBondContact O-N 2.84Å; E65-R72 IonicContact OE1-CZ 3.26Å; E65-R72 VanDerWaalsContact OE1-CZ 3.26Å; E65-R72 IonicContact OE1-NH1 2.7Å; E65-R72 PolarHBondContact OE1-NH1 3.06Å; E65-R72 IonicContact OE1-NH2 3Å; E65-R72 PolarHBondContact OE1-NH2 3.08Å; E65-R72 IonicContact OE2-CZ 3.86Å; E65-R72 IonicContact OE2-NH1 3.67Å; E65-R72 IonicContact OE2-NH2 3.05Å; E65-R72 PolarHBondContact OE2-NH2 2.95Å; E65-K79 IonicContact OE1-NZ 2.83Å; E65-K79 PolarHBondContact OE1-NZ 3.12Å
66V94.1Very high92.4Very high106 Ų106106 Ų10664%0.64251%0.508SS*.Hα-helixtrans-61.1-47.6170.1173.80000110.5E62 R68 Q69 G70E62-V66 WeakPolarHBondContact O-CG2 3.34Å; E62-V66 PolarHBondContact O-N 2.88Å; V66-R68 VanDerWaalsContact C-N 3.34Å; V66-R68 PolarHBondContact O-N 2.87Å; V66-Q69 PolarHBondContact O-N 2.9Å; V66-G70 PolarHBondContact O-N 3.4Å
67M93.4Very high92.4Very high122 Ų122103.5 Ų103.560%0.60150%0.501SS*.Hα-helixtrans-62.4-42.2175.3-179.4-120-78.700111.5E63 R64 Q69 G70 I71E63-M67 PolarHBondContact O-N 3.46Å; E63-M67 VanDerWaalsContact O-N 3.1Å; R64-M67 PolarHBondContact O-N 3.46Å; M67-Q69 VanDerWaalsContact C-N 3.33Å; M67-Q69 PolarHBondContact O-N 3.24Å; M67-G70 PolarHBondContact O-N 2.94Å; M67-I71 WeakPolarHBondContact O-CG1 3.32Å; M67-I71 PolarHBondContact O-N 2.9Å; M67-I71 HydrophobicContact SD-CD1 4.38Å
68R92.5Very high92.3Very high110 Ų110107.9 Ų107.942%0.41552%0.519SS..Hα-helixtrans-59.6-44.4174.6-72.9173.1-178.4-74.214.9111.1R64 E65 V66 I71 R72R64-R68 VanDerWaalsContact O-CG 3.24Å; R64-R68 WeakPolarHBondContact O-CG 3.44Å; R64-R68 PolarHBondContact O-N 3.42Å; E65-R68 PolarHBondContact O-N 3.4Å; E65-R68 WeakPolarHBondContact OE2-CD 3.27Å; V66-R68 VanDerWaalsContact C-N 3.34Å; V66-R68 PolarHBondContact O-N 2.87Å; R68-I71 PolarHBondContact O-N 2.99Å; R68-R72 WeakPolarHBondContact O-CG 3.43Å; R68-R72 PolarHBondContact O-N 3.01Å
69Q94.3Very high92.2Very high67 Ų67107.7 Ų107.731%0.31352%0.522SS..Hα-helixtrans-65.4-42.2178.9-168.958.139.600111.2E65 V66 M67 I71 R72 D73E65-Q69 VanDerWaalsContact O-CB 3.32Å; E65-Q69 WeakPolarHBondContact O-CB 3.46Å; E65-Q69 PolarHBondContact O-N 2.84Å; V66-Q69 PolarHBondContact O-N 2.9Å; M67-Q69 VanDerWaalsContact C-N 3.33Å; M67-Q69 PolarHBondContact O-N 3.24Å; Q69-I71 VanDerWaalsContact C-N 3.26Å; Q69-I71 PolarHBondContact O-N 3.1Å; Q69-R72 CarbonylContact O-C 3.57Å; Q69-R72 WeakPolarHBondContact O-CA 3.44Å; Q69-R72 WeakPolarHBondContact O-CB 3.41Å; Q69-R72 PolarHBondContact O-N 2.97Å; Q69-D73 PolarHBondContact NE2-OD1 3.15Å; Q69-D73 VanDerWaalsContact O-CG 3.26Å; Q69-D73 PolarHBondContact O-N 3.31Å
70G95.6Very high91.7Very high41 Ų41110.5 Ų110.542%0.42353%0.534SS..Hα-helixtrans-58.2-36.8173.300000113V66 M67 K74V66-G70 PolarHBondContact O-N 3.4Å; M67-G70 PolarHBondContact O-N 2.94Å; G70-K74 WeakPolarHBondContact O-CB 3.46Å; G70-K74 PolarHBondContact O-N 3.2Å
71I95Very high90.8Very high83 Ų83114.1 Ų114.143%0.42655%0.549SS..Hα-helixtrans-68.9-41.6171.8-66.6-174.9000111.2M67 R68 Q69 D73 K74 Y75M67-I71 WeakPolarHBondContact O-CG1 3.32Å; M67-I71 PolarHBondContact O-N 2.9Å; M67-I71 HydrophobicContact SD-CD1 4.38Å; R68-I71 PolarHBondContact O-N 2.99Å; Q69-I71 VanDerWaalsContact C-N 3.26Å; Q69-I71 PolarHBondContact O-N 3.1Å; I71-D73 VanDerWaalsContact C-N 3.34Å; I71-D73 PolarHBondContact O-N 2.96Å; I71-K74 PolarHBondContact O-N 3.21Å; I71-Y75 HydrophobicContact CG2-CD2 3.95Å; I71-Y75 HydrophobicContact CG2-CE2 4.23Å; I71-Y75 VanDerWaalsContact O-CD2 3.32Å; I71-Y75 WeakPolarHBondContact O-CD2 3.38Å; I71-Y75 PolarHBondContact O-N 3.24Å
72R94.3Very high89.3Confident40 Ų40115.7 Ų115.715%0.15156%0.557CS.*Hα-helixtrans-58.9-47.7176.8-70.5-179.1-158.7109.5-0.4111.3E65 R68 Q69 Y75 G76 I77E65-R72 IonicContact OE1-CZ 3.26Å; E65-R72 VanDerWaalsContact OE1-CZ 3.26Å; E65-R72 IonicContact OE1-NH1 2.7Å; E65-R72 PolarHBondContact OE1-NH1 3.06Å; E65-R72 IonicContact OE1-NH2 3Å; E65-R72 PolarHBondContact OE1-NH2 3.08Å; E65-R72 IonicContact OE2-CZ 3.86Å; E65-R72 IonicContact OE2-NH1 3.67Å; E65-R72 IonicContact OE2-NH2 3.05Å; E65-R72 PolarHBondContact OE2-NH2 2.95Å; R68-R72 WeakPolarHBondContact O-CG 3.43Å; R68-R72 PolarHBondContact O-N 3.01Å; Q69-R72 CarbonylContact O-C 3.57Å; Q69-R72 WeakPolarHBondContact O-CA 3.44Å; Q69-R72 WeakPolarHBondContact O-CB 3.41Å; Q69-R72 PolarHBondContact O-N 2.97Å; R72-Y75 PolarHBondContact O-N 3.42Å; R72-G76 CarbonylContact O-C 3.58Å; R72-G76 WeakPolarHBondContact O-CA 3.43Å; R72-G76 PolarHBondContact O-N 3.28Å; R72-I77 WeakPolarHBondContact CB-O 3.41Å; R72-I77 HydrophobicContact CG-CB 4.45Å; R72-I77 PolarHBondContact O-N 3.1Å
73D94.7Very high87.7Confident114 Ų114118.7 Ų118.761%0.6157%0.571SS**Hα-helixtrans-67.6-38.6-179.4-60.4-21.7000111.2Q69 I71 Y75Q69-D73 PolarHBondContact NE2-OD1 3.15Å; Q69-D73 VanDerWaalsContact O-CG 3.26Å; Q69-D73 PolarHBondContact O-N 3.31Å; I71-D73 VanDerWaalsContact C-N 3.34Å; I71-D73 PolarHBondContact O-N 2.96Å; D73-Y75 VanDerWaalsContact C-N 3.26Å; D73-Y75 PolarHBondContact O-N 3.49Å
74K96.2Very high86Confident149 Ų149117.1 Ų117.165%0.64857%0.569SS**Hα-helixtrans-61.1-32.1177.3-173.8-179.3179.8-154.70113.4G70 I71G70-K74 WeakPolarHBondContact O-CB 3.46Å; G70-K74 PolarHBondContact O-N 3.2Å; I71-K74 PolarHBondContact O-N 3.21Å
75Y94.7Very high84Confident150 Ų150113.8 Ų113.859%0.58857%0.566SS**Hα-helixtrans-115.85.2-175.9-64.2-75000114.1I71 R72 D73 I77I71-Y75 HydrophobicContact CG2-CD2 3.95Å; I71-Y75 HydrophobicContact CG2-CE2 4.23Å; I71-Y75 VanDerWaalsContact O-CD2 3.32Å; I71-Y75 WeakPolarHBondContact O-CD2 3.38Å; I71-Y75 PolarHBondContact O-N 3.24Å; R72-Y75 PolarHBondContact O-N 3.42Å; D73-Y75 VanDerWaalsContact C-N 3.26Å; D73-Y75 PolarHBondContact O-N 3.49Å; Y75-I77 PolarHBondContact O-N 3.36Å
76G90.6Very high82.5Confident65 Ų65115.7 Ų115.767%0.6759%0.592SS**THydrogen-bonded Turntrans62.327.9-176.600000113.8R72 K78R72-G76 CarbonylContact O-C 3.58Å; R72-G76 WeakPolarHBondContact O-CA 3.43Å; R72-G76 PolarHBondContact O-N 3.28Å; G76-K78 PolarHBondContact O-N 2.77Å
77I90.2Very high80.8Confident95 Ų95117.9 Ų117.949%0.48760%0.6SS.*  trans-78.7112.3-178.6-59.6166.4000108.1R72 Y75 K79R72-I77 WeakPolarHBondContact CB-O 3.41Å; R72-I77 HydrophobicContact CG-CB 4.45Å; R72-I77 PolarHBondContact O-N 3.1Å; Y75-I77 PolarHBondContact O-N 3.36Å; I77-K79 PolarHBondContact O-N 3.02Å
78K87.2Confident78.9Confident193 Ų193117.9 Ų117.984%0.83960%0.597SS**  trans-59.4128.3171.6-65.5-178.2-177.6176.30108.5G76 K80G76-K78 PolarHBondContact O-N 2.77Å; K78-K80 VanDerWaalsContact C-N 3.3Å; K78-K80 PolarHBondContact O-N 2.65Å
79K84.5Confident77.4Confident131 Ų131116.4 Ų116.457%0.5760%0.598SS**  trans-59.798.8169.1-174.5170.5178.2163.30106.7E65 I77 E81E65-K79 IonicContact OE1-NZ 2.83Å; E65-K79 PolarHBondContact OE1-NZ 3.12Å; I77-K79 PolarHBondContact O-N 3.02Å; K79-E81 PolarHBondContact O-N 3.49Å; K79-E81 VanDerWaalsContact O-N 3.16Å
80K79.9Confident75.9Confident185 Ų185121.5 Ų121.580%0.80462%0.619SS**  trans-66114.5167.8-168.5174.5-178.2-174.90104.3K78 E82K78-K80 VanDerWaalsContact C-N 3.3Å; K78-K80 PolarHBondContact O-N 2.65Å; K80-E82 PolarHBondContact O-N 2.88Å
81E70.1Confident74.3Confident183 Ų183124.1 Ų124.186%0.85563%0.631SS**  trans-58.993.2161.8-158.4167.5-157.600103.9K79 E83K79-E81 PolarHBondContact O-N 3.49Å; K79-E81 VanDerWaalsContact O-N 3.16Å; E81-E83 PolarHBondContact O-N 2.95Å
82E58.9Low72.6Confident159 Ų159121.4 Ų121.474%0.74362%0.619SS**  trans-66.792.3167.5-172.8171.2-173.700102.7K80 V84K80-E82 PolarHBondContact O-N 2.88Å; E82-V84 PolarHBondContact O-N 3.36Å
83E57Low71.1Confident177 Ų177122.6 Ų122.683%0.82763%0.632SS**  trans-49.588.8154.4-148.6175.8-161.700103.6E81 P85E81-E83 PolarHBondContact O-N 2.95Å; E83-P85 WeakPolarHBondContact O-CD 3.33Å
84V56.7Low69.6Low85 Ų85125.2 Ų125.252%0.51564%0.641SS.*  trans-55.3112.5170.2179.20000101.7E82 A86E82-V84 PolarHBondContact O-N 3.36Å; V84-A86 PolarHBondContact O-N 3Å
85P51.8Low67.9Low74 Ų74121 Ų12148%0.48164%0.64SS.*  trans-52.8126.2175.4-19.631.1000104.7E83 D87 F88E83-P85 WeakPolarHBondContact O-CD 3.33Å; P85-D87 HydrophobicContact CB-CB 4.42Å; P85-D87 PolarHBondContact O-N 3.23Å; P85-F88 PolarHBondContact O-N 2.97Å
86A60.4Low66.2Low101 Ų101120.8 Ų120.884%0.83564%0.638SS**THydrogen-bonded Turntrans-52.7-18.4177.400000111.5V84V84-A86 PolarHBondContact O-N 3Å
87D58.4Low65Low151 Ų151126.8 Ų126.881%0.80765%0.653SS**THydrogen-bonded Turntrans-74.5-17.1176.1-50.8-40.1000114.9P85 D89P85-D87 HydrophobicContact CB-CB 4.42Å; P85-D87 PolarHBondContact O-N 3.23Å; D87-D89 PolarHBondContact O-N 3.4Å
88F55Low63.9Low123 Ų123124.8 Ų124.854%0.53966%0.657SS.*  trans-86.669.5174.8-154-95.7000110.4P85 F90P85-F88 PolarHBondContact O-N 2.97Å; F88-F90 HydrophobicContact CD1-CD2 4.21Å; F88-F90 HydrophobicContact CD1-CE1 4.42Å; F88-F90 AromaticContact CD1-CE2 3.97Å; F88-F90 HydrophobicContact CD1-CE2 3.97Å; F88-F90 HydrophobicContact CD1-CZ 4.08Å; F88-F90 HydrophobicContact CE1-CD1 4.29Å; F88-F90 AromaticContact CE1-CE1 4Å; F88-F90 HydrophobicContact CE1-CE1 4Å; F88-F90 HydrophobicContact CE1-CE2 4.37Å; F88-F90 HydrophobicContact CE1-CZ 4.04Å; F88-F90 PolarHBondContact O-N 3.45Å; F88-F90 VanDerWaalsContact O-N 3.11Å
89D61Low63Low79 Ų79127.3 Ų127.342%0.42266%0.661SS.*  trans-67.1107.5170.7176.123.9000109.2D87 S91 S92D87-D89 PolarHBondContact O-N 3.4Å; D89-S91 PolarHBondContact O-N 3.48Å; D89-S91 VanDerWaalsContact O-N 3.1Å; D89-S91 VanDerWaalsContact OD1-CA 3.29Å; D89-S91 WeakPolarHBondContact OD1-CA 3.46Å; D89-S91 WeakPolarHBondContact OD1-CB 3.49Å; D89-S91 PolarHBondContact OD1-N 3.48Å; D89-S91 PolarHBondContact OD1-OG 3.08Å; D89-S91 WeakPolarHBondContact OD2-CB 3.44Å; D89-S92 VanDerWaalsContact CG-N 3.26Å; D89-S92 VanDerWaalsContact O-CB 3.23Å; D89-S92 WeakPolarHBondContact O-CB 3.42Å; D89-S92 PolarHBondContact O-N 3.34Å; D89-S92 PolarHBondContact OD2-N 3.18Å
90F61.9Low62.4Low174 Ų174128.3 Ų128.376%0.76367%0.665SS**THydrogen-bonded Turntrans-59.1-18.4170.9-80.5-86.6000112.8F88F88-F90 HydrophobicContact CD1-CD2 4.21Å; F88-F90 HydrophobicContact CD1-CE1 4.42Å; F88-F90 AromaticContact CD1-CE2 3.97Å; F88-F90 HydrophobicContact CD1-CE2 3.97Å; F88-F90 HydrophobicContact CD1-CZ 4.08Å; F88-F90 HydrophobicContact CE1-CD1 4.29Å; F88-F90 AromaticContact CE1-CE1 4Å; F88-F90 HydrophobicContact CE1-CE1 4Å; F88-F90 HydrophobicContact CE1-CE2 4.37Å; F88-F90 HydrophobicContact CE1-CZ 4.04Å; F88-F90 PolarHBondContact O-N 3.45Å; F88-F90 VanDerWaalsContact O-N 3.11Å
91S62.4Low61.6Low95 Ų95127.8 Ų127.866%0.66466%0.658SS**THydrogen-bonded Turntrans-82.6-17.2173.5-310000112.3D89D89-S91 PolarHBondContact O-N 3.48Å; D89-S91 VanDerWaalsContact O-N 3.1Å; D89-S91 VanDerWaalsContact OD1-CA 3.29Å; D89-S91 WeakPolarHBondContact OD1-CA 3.46Å; D89-S91 WeakPolarHBondContact OD1-CB 3.49Å; D89-S91 PolarHBondContact OD1-N 3.48Å; D89-S91 PolarHBondContact OD1-OG 3.08Å; D89-S91 WeakPolarHBondContact OD2-CB 3.44Å
92S59.8Low61.4Low27 Ų27124.1 Ų124.119%0.18964%0.639CS.*SBendtrans-70.4130.2-177.7175.70000109.8D89 E94D89-S92 VanDerWaalsContact CG-N 3.26Å; D89-S92 VanDerWaalsContact O-CB 3.23Å; D89-S92 WeakPolarHBondContact O-CB 3.42Å; D89-S92 PolarHBondContact O-N 3.34Å; D89-S92 PolarHBondContact OD2-N 3.18Å; S92-E94 PolarHBondContact O-N 3.18Å; S92-E94 WeakPolarHBondContact OG-CG 3.35Å; S92-E94 PolarHBondContact OG-N 3.43Å
93P62.4Low61.9Low65 Ų65120 Ų12042%0.42263%0.625SS.*G310 helixtrans-67.9-3.3-179.829-35000113.5G95 R96P93-G95 VanDerWaalsContact C-N 3.34Å; P93-R96 PolarHBondContact O-N 3.39Å
94E62.5Low62.3Low169 Ų169117 Ų11779%0.7962%0.621SS**G310 helixtrans-68.1-31-177.9-67.5-179.4163.900112.9S92S92-E94 PolarHBondContact O-N 3.18Å; S92-E94 WeakPolarHBondContact OG-CG 3.35Å; S92-E94 PolarHBondContact OG-N 3.43Å
95G60.4Low63Low60 Ų60116.5 Ų116.562%0.61963%0.626SS**G310 helixtrans-89-6.4178.500000115.8P93 L97P93-G95 VanDerWaalsContact C-N 3.34Å; G95-L97 PolarHBondContact O-N 3.2Å
96R60.2Low63.7Low146 Ų146118 Ų11855%0.55163%0.626SS**  trans-81.5108.6-177.5-84.6-174.4176.6-152.8-0.5111.2P93 G98P93-R96 PolarHBondContact O-N 3.39Å; R96-G98 PolarHBondContact O-N 3.13Å
97L63.5Low63.8Low190 Ų190118.4 Ų118.4100%0.99561%0.614SS**SBendtrans-68.679.3164.2-69168.5000109.7G95G95-L97 PolarHBondContact O-N 3.2Å
98G68.2Low64.1Low54 Ų54113.5 Ų113.556%0.55759%0.594SS**SBendtrans176.8-178.1-179.500000113.1R96 K100R96-G98 PolarHBondContact O-N 3.13Å; G98-K100 PolarHBondContact O-N 3.1Å
99R68.8Low64.4Low246 Ų246110.5 Ų110.593%0.92859%0.592SS**SBendtrans-57.7137.1173.7-71.5-175.9-169.7-103.21.6109.2R101R99-R101 PolarHBondContact O-N 3.44Å
100K71.9Confident64.4Low151 Ų151111.3 Ų111.366%0.65759%0.593SS**PPolyproline II helixtrans-52.2138.7173-58.2-61-178.5178.70108.4G98 K102G98-K100 PolarHBondContact O-N 3.1Å; K100-K102 PolarHBondContact O-N 3.38Å
101R62.7Low64.4Low174 Ų174105.7 Ų105.766%0.65758%0.579SS**PPolyproline II helixtrans-60.9124.9170.2-69.2-178.885173.91106.4R99 T103R99-R101 PolarHBondContact O-N 3.44Å; R101-T103 PolarHBondContact O-N 3.27Å
102K66Low64.4Low107 Ų107106.6 Ų106.647%0.46558%0.576SS.*PPolyproline II helixtrans-55.1135165.9-81.7163.2170.7179.40107.6K100 E106 E110K100-K102 PolarHBondContact O-N 3.38Å; K102-E106 HydrophobicContact CB-CB 4.11Å; K102-E106 HydrophobicContact CG-CB 4.41Å; K102-E110 IonicContact NZ-OE1 3.63Å; K102-E110 PolarHBondContact NZ-OE1 3.46Å; K102-E110 IonicContact NZ-OE2 2.76Å; K102-E110 PolarHBondContact NZ-OE2 3.16Å
103T69.1Low64.3Low71 Ų71112.1 Ų112.144%0.43660%0.599SS.*PPolyproline II helixtrans-60.3153.817762.20000109R101 A105 E106 L107R101-T103 PolarHBondContact O-N 3.27Å; T103-A105 PolarHBondContact O-N 3.5Å; T103-E106 PolarHBondContact N-OE2 3.14Å; T103-E106 VanDerWaalsContact N-OE2 3.15Å; T103-E106 PolarHBondContact O-N 3.03Å; T103-E106 WeakPolarHBondContact OG1-CG 3.37Å; T103-E106 PolarHBondContact OG1-N 3.45Å; T103-E106 PolarHBondContact OG1-OE2 3.45Å; T103-L107 PolarHBondContact O-N 2.88Å
104P65.8Low64Low116 Ų116112.3 Ų112.375%0.75361%0.606SS**Hα-helixtrans-52.7-31.5177-25.933.8000113A108P104-A108 WeakPolarHBondContact O-CB 3.44Å; P104-A108 PolarHBondContact O-N 3.31Å; P104-A108 VanDerWaalsContact O-N 3.08Å
105A70.3Confident63.7Low74 Ų74109.3 Ų109.361%0.61260%0.596SS**Hα-helixtrans-68.1-42.417500000113T103 A108 A109T103-A105 PolarHBondContact O-N 3.5Å; A105-A108 PolarHBondContact O-N 2.93Å; A105-A109 PolarHBondContact O-N 3.5Å
106E66.2Low63.4Low106 Ų106111.3 Ų111.350%0.49559%0.592SS.*Hα-helixtrans-70.7-34.8176-72.1173.3152.400112.4K102 T103 A108 A109 E110K102-E106 HydrophobicContact CB-CB 4.11Å; K102-E106 HydrophobicContact CG-CB 4.41Å; T103-E106 PolarHBondContact N-OE2 3.14Å; T103-E106 VanDerWaalsContact N-OE2 3.15Å; T103-E106 PolarHBondContact O-N 3.03Å; T103-E106 WeakPolarHBondContact OG1-CG 3.37Å; T103-E106 PolarHBondContact OG1-N 3.45Å; T103-E106 PolarHBondContact OG1-OE2 3.45Å; E106-A108 VanDerWaalsContact C-N 3.31Å; E106-A109 PolarHBondContact O-N 3.34Å; E106-E110 PolarHBondContact O-N 3.24Å
107L63.5Low63.4Low109 Ų109110.9 Ų110.957%0.57160%0.597SS**Hα-helixtrans-65.1-38.1174.7-166.479000111.1T103 A111T103-L107 PolarHBondContact O-N 2.88Å; L107-A111 WeakPolarHBondContact O-CB 3.31Å; L107-A111 PolarHBondContact O-N 3.25Å; L107-A111 VanDerWaalsContact O-N 3.12Å
108A64.8Low63.4Low48 Ų48108.2 Ų108.240%0.39758%0.583SS.*Hα-helixtrans-68.4-37.8173.700000111.9P104 A105 E106 A111 N112P104-A108 WeakPolarHBondContact O-CB 3.44Å; P104-A108 PolarHBondContact O-N 3.31Å; P104-A108 VanDerWaalsContact O-N 3.08Å; A105-A108 PolarHBondContact O-N 2.93Å; E106-A108 VanDerWaalsContact C-N 3.31Å; A108-A111 PolarHBondContact O-N 3.35Å; A108-N112 PolarHBondContact O-N 3.3Å; A108-N112 VanDerWaalsContact O-N 3.1Å; A108-N112 PolarHBondContact O-ND2 3.48Å
109A62.1Low63.6Low59 Ų59109.1 Ų109.149%0.48858%0.575SS.*Hα-helixtrans-64.7-43.7177.100000112.3A105 E106 A111 N112 E113A105-A109 PolarHBondContact O-N 3.5Å; E106-A109 PolarHBondContact O-N 3.34Å; A109-A111 VanDerWaalsContact C-N 3.31Å; A109-A111 PolarHBondContact O-N 3.04Å; A109-N112 PolarHBondContact O-N 3.14Å; A109-E113 PolarHBondContact O-N 3.49Å; A109-E113 VanDerWaalsContact O-N 3.1Å
110E60.8Low63.9Low96 Ų96103 Ų10345%0.44956%0.56SS.*Hα-helixtrans-68.6-29.7176.4-168.5175.4-149.900112.3K102 E106 E113 A114K102-E110 IonicContact NZ-OE1 3.63Å; K102-E110 PolarHBondContact NZ-OE1 3.46Å; K102-E110 IonicContact NZ-OE2 2.76Å; K102-E110 PolarHBondContact NZ-OE2 3.16Å; E106-E110 PolarHBondContact O-N 3.24Å; E110-E113 PolarHBondContact O-N 3.33Å; E110-A114 PolarHBondContact O-N 3.37Å; E110-A114 VanDerWaalsContact O-N 3.14Å
111A62.2Low63.9Low56 Ų5697.1 Ų97.146%0.46354%0.536SS..Hα-helixtrans-66.9-39.3172.600000112.3L107 A108 A109 E113 A114L107-A111 WeakPolarHBondContact O-CB 3.31Å; L107-A111 PolarHBondContact O-N 3.25Å; L107-A111 VanDerWaalsContact O-N 3.12Å; A108-A111 PolarHBondContact O-N 3.35Å; A109-A111 VanDerWaalsContact C-N 3.31Å; A109-A111 PolarHBondContact O-N 3.04Å; A111-E113 VanDerWaalsContact C-N 3.35Å; A111-A114 PolarHBondContact O-N 2.91Å
112N61.6Low64.4Low114 Ų11492 Ų9261%0.6153%0.527SS*.Hα-helixtrans-70.7-30.3175.4-73.7-81.1000112.4A108 A109 A114 D115A108-N112 PolarHBondContact O-N 3.3Å; A108-N112 VanDerWaalsContact O-N 3.1Å; A108-N112 PolarHBondContact O-ND2 3.48Å; A109-N112 PolarHBondContact O-N 3.14Å; N112-A114 VanDerWaalsContact C-N 3.3Å; N112-D115 PolarHBondContact O-N 3.43Å
113E57.6Low65.1Low143 Ų14394 Ų9467%0.66854%0.54SS*.Hα-helixtrans-76.4-20177.1-149.7168-149.800112.1A109 E110 A111A109-E113 PolarHBondContact O-N 3.49Å; A109-E113 VanDerWaalsContact O-N 3.1Å; E110-E113 PolarHBondContact O-N 3.33Å; A111-E113 VanDerWaalsContact C-N 3.35Å
114A55.3Low65.7Low70 Ų7093.2 Ų93.258%0.57953%0.533SS*.Hα-helixtrans-80.5-15.3172.700000113.9E110 A111 N112 D116E110-A114 PolarHBondContact O-N 3.37Å; E110-A114 VanDerWaalsContact O-N 3.14Å; A111-A114 PolarHBondContact O-N 2.91Å; N112-A114 VanDerWaalsContact C-N 3.3Å; A114-D116 PolarHBondContact O-N 3.09Å
115D56.8Low66.4Low106 Ų10691.3 Ų91.357%0.56752%0.521SS*.THydrogen-bonded Turntrans-77.12.7174.3-77.4-24.9000112.9N112 E117N112-D115 PolarHBondContact O-N 3.43Å; D115-E117 PolarHBondContact O-N 2.82Å
116D54.1Low66.9Low101 Ų10195.1 Ų95.154%0.5453%0.526SS..  trans-6884.5159.6-87-13.2000108A114 N118 I119A114-D116 PolarHBondContact O-N 3.09Å; D116-N118 PolarHBondContact O-N 2.77Å; D116-I119 HydrophobicContact CB-CD1 3.87Å; D116-I119 HydrophobicContact CB-CG1 3.99Å; D116-I119 WeakPolarHBondContact O-CB 3.47Å; D116-I119 PolarHBondContact O-N 2.72Å
117E60.2Low67.6Low138 Ų13896.2 Ų96.265%0.64554%0.535SS*.Hα-helixtrans-45.8-20.9177.3-61.6-68.5167.700113.8D115 T121D115-E117 PolarHBondContact O-N 2.82Å; E117-T121 PolarHBondContact O-OG1 2.95Å
118N63.7Low68.5Low133 Ų13395.8 Ų95.871%0.71153%0.531SS*.Hα-helixtrans-73.4-28.9173.9-95-7.8000114.3D116 T121 S122D116-N118 PolarHBondContact O-N 2.77Å; N118-T121 WeakPolarHBondContact CA-OG1 3.43Å; N118-T121 PolarHBondContact O-OG1 3.39Å; N118-S122 VanDerWaalsContact O-CB 3.23Å; N118-S122 WeakPolarHBondContact O-CB 3.47Å; N118-S122 PolarHBondContact O-N 2.82Å; N118-S122 PolarHBondContact O-OG 3.09Å
119I72.9Confident69.4Low74 Ų7497.4 Ų97.438%0.37953%0.527SS..Hα-helixtrans-66.5-47.1178.8-66.1176.3000109.2D116 T121 S122 M123D116-I119 HydrophobicContact CB-CD1 3.87Å; D116-I119 HydrophobicContact CB-CG1 3.99Å; D116-I119 WeakPolarHBondContact O-CB 3.47Å; D116-I119 PolarHBondContact O-N 2.72Å; I119-T121 PolarHBondContact O-N 3.27Å; I119-S122 PolarHBondContact O-N 3.18Å; I119-S122 PolarHBondContact O-OG 3.42Å; I119-M123 HydrophobicContact CG2-CE 3.95Å; I119-M123 WeakPolarHBondContact O-CG 3.23Å; I119-M123 PolarHBondContact O-N 3.39Å; I119-M123 VanDerWaalsContact O-N 3.09Å
120L74.4Confident70.2Confident118 Ų11899.7 Ų99.762%0.61853%0.531SS*.Hα-helixtrans-60.8-44.7-179-175.765.5000111.9M123L120-M123 PolarHBondContact O-N 3.34Å
121T71.9Confident71.2Confident27 Ų27101.5 Ų101.517%0.16654%0.541CS..Hα-helixtrans-69.6-33176.634.20000112.6E117 N118 I119 M123 L124 R129 A132E117-T121 PolarHBondContact O-OG1 2.95Å; N118-T121 WeakPolarHBondContact CA-OG1 3.43Å; N118-T121 PolarHBondContact O-OG1 3.39Å; I119-T121 PolarHBondContact O-N 3.27Å; T121-M123 VanDerWaalsContact C-N 3.31Å; T121-M123 PolarHBondContact O-N 3.41Å; T121-L124 PolarHBondContact O-N 2.78Å; T121-R129 WeakPolarHBondContact O-CG 3.45Å; T121-A132 HydrophobicContact CG2-CB 4.01Å
122S74Confident72.1Confident66 Ų66100 Ų10046%0.46253%0.529SS..Hα-helixtrans-66.4-30.2174.978.30000113.3N118 I119 L124 R129N118-S122 VanDerWaalsContact O-CB 3.23Å; N118-S122 WeakPolarHBondContact O-CB 3.47Å; N118-S122 PolarHBondContact O-N 2.82Å; N118-S122 PolarHBondContact O-OG 3.09Å; I119-S122 PolarHBondContact O-N 3.18Å; I119-S122 PolarHBondContact O-OG 3.42Å; S122-L124 VanDerWaalsContact C-N 3.33Å; S122-R129 PolarHBondContact O-NE 2.93Å; S122-R129 PolarHBondContact O-NH2 3.44Å
123M80.1Confident73Confident149 Ų14997.7 Ų97.773%0.73452%0.516SS*.Hα-helixtrans-75.6-19.2177.9-68.7-156.7-175.800113.8I119 L120 T121I119-M123 HydrophobicContact CG2-CE 3.95Å; I119-M123 WeakPolarHBondContact O-CG 3.23Å; I119-M123 PolarHBondContact O-N 3.39Å; I119-M123 VanDerWaalsContact O-N 3.09Å; L120-M123 PolarHBondContact O-N 3.34Å; T121-M123 VanDerWaalsContact C-N 3.31Å; T121-M123 PolarHBondContact O-N 3.41Å
124L82.2Confident74.1Confident54 Ų5497.5 Ų97.528%0.28351%0.514SS..SBendtrans-71.6145.7179-107.166.1000111.7T121 S122 M128 R129 A132T121-L124 PolarHBondContact O-N 2.78Å; S122-L124 VanDerWaalsContact C-N 3.33Å; L124-M128 HydrophobicContact CD2-CB 3.97Å; L124-M128 HydrophobicContact CD2-CE 4.4Å; L124-M128 HydrophobicContact CG-CB 4.44Å; L124-R129 HydrophobicContact CB-CG 4.19Å; L124-R129 WeakPolarHBondContact O-CG 3.5Å; L124-R129 PolarHBondContact O-NE 3.01Å; L124-R129 PolarHBondContact O-NH2 2.76Å; L124-A132 HydrophobicContact CD2-CB 4.33Å
125P79.9Confident75.3Confident77 Ų7798.9 Ų98.950%0.551%0.514SS..  trans-59.6147.9173-21.833000112.7N127 M128 R129P125-N127 PolarHBondContact O-N 3.28Å; P125-N127 VanDerWaalsContact O-N 3.07Å; P125-M128 PolarHBondContact O-N 3.05Å; P125-R129 PolarHBondContact O-N 3.31Å
126E81.3Confident76.2Confident154 Ų15498.1 Ų98.172%0.7251%0.514SS*.Hα-helixtrans-50.8-37.4-172.5-76.3177-179.800114.8M128E126-M128 VanDerWaalsContact C-N 3.28Å; E126-M128 PolarHBondContact O-N 3.48Å
127N80.3Confident77.1Confident128 Ų12897.9 Ų97.968%0.68451%0.509SS*.Hα-helixtrans-69.4-22179.662-10.5000113.8P125P125-N127 PolarHBondContact O-N 3.28Å; P125-N127 VanDerWaalsContact O-N 3.07Å
128M82.5Confident77.9Confident101 Ų10195 Ų9550%0.49850%0.501SS..Hα-helixtrans-96.8-26.4177.8-65.1-174.867.100112.7L124 P125 E126 N130 M131 A132L124-M128 HydrophobicContact CD2-CB 3.97Å; L124-M128 HydrophobicContact CD2-CE 4.4Å; L124-M128 HydrophobicContact CG-CB 4.44Å; P125-M128 PolarHBondContact O-N 3.05Å; E126-M128 VanDerWaalsContact C-N 3.28Å; E126-M128 PolarHBondContact O-N 3.48Å; M128-N130 VanDerWaalsContact C-N 3.28Å; M128-N130 PolarHBondContact O-N 3.01Å; M128-M131 WeakPolarHBondContact O-CB 3.42Å; M128-M131 PolarHBondContact O-N 3.02Å; M128-A132 PolarHBondContact O-N 2.98Å
129R83Confident78.5Confident82 Ų8291.8 Ų91.831%0.30949%0.488SS..Hα-helixtrans-54.3-43.3178.8-67.8-171.7-174.11264.2112.6T121 S122 L124 P125 M131 A132 N133T121-R129 WeakPolarHBondContact O-CG 3.45Å; S122-R129 PolarHBondContact O-NE 2.93Å; S122-R129 PolarHBondContact O-NH2 3.44Å; L124-R129 HydrophobicContact CB-CG 4.19Å; L124-R129 WeakPolarHBondContact O-CG 3.5Å; L124-R129 PolarHBondContact O-NE 3.01Å; L124-R129 PolarHBondContact O-NH2 2.76Å; P125-R129 PolarHBondContact O-N 3.31Å; R129-M131 VanDerWaalsContact C-N 3.26Å; R129-M131 PolarHBondContact O-N 3.03Å; R129-A132 PolarHBondContact O-N 3.41Å; R129-N133 WeakPolarHBondContact O-CB 3.3Å; R129-N133 VanDerWaalsContact O-CG 3.27Å; R129-N133 PolarHBondContact O-N 2.96Å
130N79.4Confident78.5Confident107 Ų10790.2 Ų90.257%0.57249%0.49SS*.Hα-helixtrans-63.3-30.9178.8-69.8-30.6000113.2M128 K134M128-N130 VanDerWaalsContact C-N 3.28Å; M128-N130 PolarHBondContact O-N 3.01Å; N130-K134 WeakPolarHBondContact O-CD 3.5Å; N130-K134 WeakPolarHBondContact O-CG 3.13Å; N130-K134 PolarHBondContact O-N 3.22Å
131M81.3Confident78.6Confident134 Ų13489.7 Ų89.766%0.6648%0.482SS*.Hα-helixtrans-77.9-43.7176.1-169.4179.2-62.600110.4M128 R129 N133 K134 V135M128-M131 WeakPolarHBondContact O-CB 3.42Å; M128-M131 PolarHBondContact O-N 3.02Å; R129-M131 VanDerWaalsContact C-N 3.26Å; R129-M131 PolarHBondContact O-N 3.03Å; M131-N133 PolarHBondContact O-N 2.95Å; M131-K134 PolarHBondContact O-N 3.38Å; M131-V135 WeakPolarHBondContact O-CG2 3.36Å; M131-V135 PolarHBondContact O-N 3.41Å
132A81.6Confident78.9Confident25 Ų2593.3 Ų93.321%0.20750%0.5CS..Hα-helixtrans-58.5-47.7176.500000111.8T121 L124 M128 R129 K134 V135 T136T121-A132 HydrophobicContact CG2-CB 4.01Å; L124-A132 HydrophobicContact CD2-CB 4.33Å; M128-A132 PolarHBondContact O-N 2.98Å; R129-A132 PolarHBondContact O-N 3.41Å; A132-K134 VanDerWaalsContact C-N 3.3Å; A132-K134 PolarHBondContact O-N 3.43Å; A132-V135 PolarHBondContact O-N 3.34Å; A132-V135 VanDerWaalsContact O-N 3.09Å; A132-T136 PolarHBondContact O-N 3.02Å; A132-T136 PolarHBondContact O-OG1 3.49Å
133N81.2Confident79.1Confident64 Ų6495.8 Ų95.834%0.34251%0.506SS..Hα-helixtrans-61.7-36.9177.7-67.1-9.3000112.3R129 M131 T136 E137R129-N133 WeakPolarHBondContact O-CB 3.3Å; R129-N133 VanDerWaalsContact O-CG 3.27Å; R129-N133 PolarHBondContact O-N 2.96Å; M131-N133 PolarHBondContact O-N 2.95Å; N133-T136 WeakPolarHBondContact CA-OG1 3.22Å; N133-T136 PolarHBondContact O-N 3.41Å; N133-T136 PolarHBondContact O-OG1 3.17Å; N133-T136 VanDerWaalsContact O-OG1 3.06Å; N133-E137 VanDerWaalsContact O-CB 3.32Å; N133-E137 WeakPolarHBondContact O-CB 3.32Å; N133-E137 VanDerWaalsContact O-CG 3.22Å; N133-E137 WeakPolarHBondContact O-CG 3.46Å; N133-E137 PolarHBondContact O-N 3.28Å
134K78.9Confident78.8Confident140 Ų14091 Ų9161%0.60949%0.488SS*.Hα-helixtrans-65.9-41174.6-74172.6-175.2-175.60111.7N130 M131 A132 T136 E137 V138N130-K134 WeakPolarHBondContact O-CD 3.5Å; N130-K134 WeakPolarHBondContact O-CG 3.13Å; N130-K134 PolarHBondContact O-N 3.22Å; M131-K134 PolarHBondContact O-N 3.38Å; A132-K134 VanDerWaalsContact C-N 3.3Å; A132-K134 PolarHBondContact O-N 3.43Å; K134-T136 VanDerWaalsContact C-N 3.34Å; K134-E137 PolarHBondContact O-N 3.09Å; K134-V138 WeakPolarHBondContact O-CB 3.26Å; K134-V138 WeakPolarHBondContact O-CG2 2.94Å; K134-V138 PolarHBondContact O-N 3.07Å; K134-V138 VanDerWaalsContact O-N 3.07Å
135V80.6Confident78.4Confident98 Ų9894.1 Ų94.159%0.59450%0.501SS*.Hα-helixtrans-66.9-36.6179.4173.60000111M131 A132 P139M131-V135 WeakPolarHBondContact O-CG2 3.36Å; M131-V135 PolarHBondContact O-N 3.41Å; A132-V135 PolarHBondContact O-N 3.34Å; A132-V135 VanDerWaalsContact O-N 3.09Å; V135-P139 WeakPolarHBondContact O-CD 3.49Å
136T75.9Confident78.2Confident90 Ų9092.9 Ų92.955%0.55250%0.497SS*.Hα-helixtrans-76.4-31.5176.6570000113.1A132 N133 K134A132-T136 PolarHBondContact O-N 3.02Å; A132-T136 PolarHBondContact O-OG1 3.49Å; N133-T136 WeakPolarHBondContact CA-OG1 3.22Å; N133-T136 PolarHBondContact O-N 3.41Å; N133-T136 PolarHBondContact O-OG1 3.17Å; N133-T136 VanDerWaalsContact O-OG1 3.06Å; K134-T136 VanDerWaalsContact C-N 3.34Å
137E73.4Confident77.9Confident96 Ų9688.5 Ų88.545%0.44948%0.483SS..Hα-helixtrans-76-31.4177.3-77.1177.9-155.700114.4N133 K134 G140 K141N133-E137 VanDerWaalsContact O-CB 3.32Å; N133-E137 WeakPolarHBondContact O-CB 3.32Å; N133-E137 VanDerWaalsContact O-CG 3.22Å; N133-E137 WeakPolarHBondContact O-CG 3.46Å; N133-E137 PolarHBondContact O-N 3.28Å; K134-E137 PolarHBondContact O-N 3.09Å; E137-G140 PolarHBondContact O-N 3.48Å; E137-K141 PolarHBondContact O-N 3Å; E137-K141 IonicContact OE2-NZ 2.61Å; E137-K141 PolarHBondContact OE2-NZ 3.25Å
138V76.9Confident77.3Confident78 Ų7888.5 Ų88.547%0.47348%0.479SS..Hα-helixtrans-59.8-46.7-176.3163.40000112.3K134 G140 K141 I142K134-V138 WeakPolarHBondContact O-CB 3.26Å; K134-V138 WeakPolarHBondContact O-CG2 2.94Å; K134-V138 PolarHBondContact O-N 3.07Å; K134-V138 VanDerWaalsContact O-N 3.07Å; V138-G140 VanDerWaalsContact C-N 3.32Å; V138-G140 PolarHBondContact O-N 2.97Å; V138-K141 PolarHBondContact O-N 3.34Å; V138-I142 HydrophobicContact CG1-CD1 3.77Å; V138-I142 VanDerWaalsContact O-CG1 3.28Å; V138-I142 WeakPolarHBondContact O-CG1 3.46Å; V138-I142 PolarHBondContact O-N 3.45Å; V138-I142 VanDerWaalsContact O-N 3.09Å
139P77.7Confident76.9Confident66 Ų6691 Ų9143%0.42949%0.488SS..Hα-helixtrans-57.5-42.9172.4-24.932.9000112.7V135 K141 I142 I143V135-P139 WeakPolarHBondContact O-CD 3.49Å; P139-K141 VanDerWaalsContact C-N 3.35Å; P139-K141 PolarHBondContact O-N 3.32Å; P139-I142 PolarHBondContact O-N 2.96Å; P139-I143 WeakPolarHBondContact O-CD1 3.36Å; P139-I143 VanDerWaalsContact O-CG1 3.26Å; P139-I143 WeakPolarHBondContact O-CG1 3.28Å; P139-I143 PolarHBondContact O-N 3.23Å
140G72.4Confident76.1Confident41 Ų4191.9 Ų91.942%0.42351%0.505SS..Hα-helixtrans-60.1-42.6179.400000112.9E137 V138 I143 S144E137-G140 PolarHBondContact O-N 3.48Å; V138-G140 VanDerWaalsContact C-N 3.32Å; V138-G140 PolarHBondContact O-N 2.97Å; G140-I143 PolarHBondContact O-N 3.49Å; G140-S144 PolarHBondContact O-N 3.42Å; G140-S144 PolarHBondContact O-OG 3.09Å
141K75.5Confident75.5Confident107 Ų10794.1 Ų94.147%0.46552%0.516SS..Hα-helixtrans-67.6-40.3177.5-69.1170.3-171.1162.10112.3E137 V138 P139 I143 S144 E145E137-K141 PolarHBondContact O-N 3Å; E137-K141 IonicContact OE2-NZ 2.61Å; E137-K141 PolarHBondContact OE2-NZ 3.25Å; V138-K141 PolarHBondContact O-N 3.34Å; P139-K141 VanDerWaalsContact C-N 3.35Å; P139-K141 PolarHBondContact O-N 3.32Å; K141-I143 VanDerWaalsContact C-N 3.33Å; K141-I143 PolarHBondContact O-N 3.06Å; K141-S144 WeakPolarHBondContact CA-OG 3.45Å; K141-S144 PolarHBondContact O-N 2.89Å; K141-S144 PolarHBondContact O-OG 3.3Å; K141-E145 WeakPolarHBondContact O-CB 3.33Å; K141-E145 WeakPolarHBondContact O-CG 3.42Å; K141-E145 PolarHBondContact O-N 3.19Å
142I79.2Confident74.4Confident103 Ų10395.3 Ų95.353%0.52852%0.524SS..Hα-helixtrans-64-41.8176.9-65.3164.8000110.4V138 P139 A146V138-I142 HydrophobicContact CG1-CD1 3.77Å; V138-I142 VanDerWaalsContact O-CG1 3.28Å; V138-I142 WeakPolarHBondContact O-CG1 3.46Å; V138-I142 PolarHBondContact O-N 3.45Å; V138-I142 VanDerWaalsContact O-N 3.09Å; P139-I142 PolarHBondContact O-N 2.96Å; I142-A146 VanDerWaalsContact O-CB 3.3Å; I142-A146 WeakPolarHBondContact O-CB 3.39Å; I142-A146 PolarHBondContact O-N 2.97Å
143I78.2Confident73.1Confident118 Ų118105 Ų10561%0.60557%0.568SS**Hα-helixtrans-67.2-42.8178.2-66162.1000111P139 G140 K141 A146 S147P139-I143 WeakPolarHBondContact O-CD1 3.36Å; P139-I143 VanDerWaalsContact O-CG1 3.26Å; P139-I143 WeakPolarHBondContact O-CG1 3.28Å; P139-I143 PolarHBondContact O-N 3.23Å; G140-I143 PolarHBondContact O-N 3.49Å; K141-I143 VanDerWaalsContact C-N 3.33Å; K141-I143 PolarHBondContact O-N 3.06Å; I143-A146 PolarHBondContact O-N 3.27Å; I143-S147 PolarHBondContact O-N 3.47Å; I143-S147 PolarHBondContact O-OG 3.37Å
144S73.4Confident72.7Confident49 Ų49107.1 Ų107.134%0.34358%0.579SS.*Hα-helixtrans-65.8-41.2177.557.90000112.5G140 K141 A146 S147 E148G140-S144 PolarHBondContact O-N 3.42Å; G140-S144 PolarHBondContact O-OG 3.09Å; K141-S144 WeakPolarHBondContact CA-OG 3.45Å; K141-S144 PolarHBondContact O-N 2.89Å; K141-S144 PolarHBondContact O-OG 3.3Å; S144-A146 VanDerWaalsContact C-N 3.31Å; S144-A146 PolarHBondContact O-N 2.89Å; S144-S147 PolarHBondContact O-N 3.27Å; S144-S147 PolarHBondContact O-OG 3.13Å; S144-E148 WeakPolarHBondContact O-CB 3.41Å; S144-E148 WeakPolarHBondContact O-CG 3.22Å; S144-E148 PolarHBondContact O-N 3.27Å
145E73.2Confident72.4Confident118 Ų118105.4 Ų105.455%0.55158%0.578SS**Hα-helixtrans-66.7-34.4176.4-73.9179-165.900112.2K141 K149K141-E145 WeakPolarHBondContact O-CB 3.33Å; K141-E145 WeakPolarHBondContact O-CG 3.42Å; K141-E145 PolarHBondContact O-N 3.19Å; E145-K149 WeakPolarHBondContact O-CB 3.48Å; E145-K149 PolarHBondContact O-N 3Å; E145-K149 VanDerWaalsContact O-N 3.13Å
146A76.4Confident71.9Confident51 Ų51105.8 Ų105.842%0.42158%0.577SS.*Hα-helixtrans-70.3-40.2175.700000112.3I142 I143 S144 K149 C150I142-A146 VanDerWaalsContact O-CB 3.3Å; I142-A146 WeakPolarHBondContact O-CB 3.39Å; I142-A146 PolarHBondContact O-N 2.97Å; I143-A146 PolarHBondContact O-N 3.27Å; S144-A146 VanDerWaalsContact C-N 3.31Å; S144-A146 PolarHBondContact O-N 2.89Å; A146-K149 PolarHBondContact O-N 3.38Å; A146-C150 PolarHBondContact O-N 3.07Å; A146-C150 PolarHBondContact O-SG 2.94Å
147S74.4Confident71.7Confident62 Ų62106.7 Ų106.743%0.43458%0.578SS.*Hα-helixtrans-71.5-37.5178.767.70000112.3I143 S144 C150 L151I143-S147 PolarHBondContact O-N 3.47Å; I143-S147 PolarHBondContact O-OG 3.37Å; S144-S147 PolarHBondContact O-N 3.27Å; S144-S147 PolarHBondContact O-OG 3.13Å; S147-C150 PolarHBondContact O-N 3.35Å; S147-L151 PolarHBondContact O-N 3.45Å
148E67.7Low71.6Confident128 Ų128107.4 Ų107.460%0.59859%0.587SS**Hα-helixtrans-64.3-40.8172.7-74.3-179.6-172.200112S144 C150 L151 L152S144-E148 WeakPolarHBondContact O-CB 3.41Å; S144-E148 WeakPolarHBondContact O-CG 3.22Å; S144-E148 PolarHBondContact O-N 3.27Å; E148-C150 VanDerWaalsContact C-N 3.33Å; E148-C150 PolarHBondContact O-N 2.98Å; E148-L151 PolarHBondContact O-N 2.93Å; E148-L152 PolarHBondContact O-N 2.76Å
149K75.1Confident71.2Confident155 Ų155109.3 Ų109.367%0.67459%0.594SS**Hα-helixtrans-65.1-33.5173.4-87.8177.5-179.4167.40113.3E145 A146E145-K149 WeakPolarHBondContact O-CB 3.48Å; E145-K149 PolarHBondContact O-N 3Å; E145-K149 VanDerWaalsContact O-N 3.13Å; A146-K149 PolarHBondContact O-N 3.38Å
150C65.8Low70.8Confident99 Ų99112.4 Ų112.467%0.66961%0.606SS**Hα-helixtrans-76-26176.8-70.90000113.3A146 S147 E148A146-C150 PolarHBondContact O-N 3.07Å; A146-C150 PolarHBondContact O-SG 2.94Å; S147-C150 PolarHBondContact O-N 3.35Å; E148-C150 VanDerWaalsContact C-N 3.33Å; E148-C150 PolarHBondContact O-N 2.98Å
151L66.1Low70.6Confident154 Ų154117.9 Ų117.981%0.80662%0.62SS**Hα-helixtrans-80.2-16.9174.4-81.6169.9000113.6S147 E148S147-L151 PolarHBondContact O-N 3.45Å; E148-L151 PolarHBondContact O-N 2.93Å
152L58.2Low70.2Confident159 Ų159118.8 Ų118.883%0.83263%0.633SS**  trans-96.92-179.6-109.2151.3000114.3E148E148-L152 PolarHBondContact O-N 2.76Å
153M55.2Low69.4Low230 Ų230120.3 Ų120.3100%1.13364%0.642SS**  trans-105.10167.1-71.2-152.6-164.100111

Retrieved 153 of 153 residues in 131.2 ms (Link to these results)