A0A087XEI1_POEFO Loading...

Coiled-coil-helix-coiled-coil-helix domain containing 4a

AlphaFold DB , UniProt , Accession A0A087XEI1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 150 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
1M78.7Confident90.1Very high207 Ų207126.5 Ų126.5100%1.0263%0.633SS**  0123.90-70.5-169.8-87.200107.5
2S86.7Confident90.4Very high59 Ų59120.9 Ų120.941%0.41361%0.606SS.*  trans-55.6147.1171.442.10000111.5F14 D19S2-F14 CarbonylContact C-O 3.38Å; S2-F14 WeakPolarHBondContact CA-O 3.36Å; S2-F14 VanDerWaalsContact CB-O 3.29Å; S2-F14 WeakPolarHBondContact CB-O 3.47Å; S2-D19 WeakPolarHBondContact CB-OD2 3.36Å; S2-D19 PolarHBondContact N-OD2 2.63Å; S2-D19 PolarHBondContact OG-OD2 2.92Å
3Y89.3Confident90.4Very high137 Ų137119.4 Ų119.454%0.53760%0.599SS.*EExtended strand (participates in β ladder)trans-142.9154.2178.172.4-88.8000111.7F14Y3-F14 HydrophobicContact CD1-CB 4.02Å; Y3-F14 HydrophobicContact CD2-CD2 4.14Å; Y3-F14 HydrophobicContact CE1-CB 3.68Å; Y3-F14 HydrophobicContact CE1-CD2 4.34Å; Y3-F14 HydrophobicContact CE1-CG 4.07Å; Y3-F14 HydrophobicContact CE2-CB 4.26Å; Y3-F14 AromaticContact CE2-CD2 3.46Å; Y3-F14 HydrophobicContact CE2-CD2 3.46Å; Y3-F14 VanDerWaalsContact CE2-CD2 3.46Å; Y3-F14 HydrophobicContact CE2-CE2 4.06Å; Y3-F14 HydrophobicContact CE2-CG 4.03Å; Y3-F14 HydrophobicContact CG-CB 4.45Å; Y3-F14 AromaticContact CZ-CD2 3.58Å; Y3-F14 AromaticContact CZ-CG 3.66Å; Y3-F14 PolarHBondContact N-O 2.98Å; Y3-F14 PolarHBondContact O-N 3.32Å
4C90.8Very high90.5Very high76 Ų76117.1 Ų117.151%0.51458%0.584SS.*EExtended strand (participates in β ladder)trans-109.4134.3179.5-63.50000110.5I12C4-I12 CarbonylContact C-O 3.55Å; C4-I12 WeakPolarHBondContact CA-O 3.39Å
5K93.8Very high90.6Very high103 Ų103114.5 Ų114.545%0.44858%0.576SS.*EExtended strand (participates in β ladder)trans-114.8138.1170.4-170.1-174.1-177.4-167.10108.9E7 I12 F14K5-E7 HydrophobicContact CD-CG 4.25Å; K5-E7 VanDerWaalsContact CE-OE1 3.24Å; K5-E7 WeakPolarHBondContact CE-OE1 3.49Å; K5-E7 HydrophobicContact CG-CG 4.43Å; K5-E7 IonicContact NZ-OE1 2.67Å; K5-E7 PolarHBondContact NZ-OE1 3.23Å; K5-I12 PolarHBondContact N-O 3.5Å; K5-I12 PolarHBondContact O-N 3.01Å; K5-F14 HydrophobicContact CB-CE2 4.16Å
6Q93.6Very high90.5Very high141 Ų141109.7 Ų109.766%0.65956%0.555SS**EExtended strand (participates in β ladder)trans-105.1124.1175.3-160.6163.419.400109.7D10 R11Q6-D10 WeakPolarHBondContact CA-O 3.35Å; Q6-R11 HydrophobicContact CG-CG 4.38Å
7E90.5Very high90.4Very high99 Ų99111.8 Ų111.846%0.46356%0.559SS.*EExtended strand (participates in β ladder)trans-122.497.1175.5-66.1-161.7155.400108.5K5 K9 D10 I12K5-E7 HydrophobicContact CD-CG 4.25Å; K5-E7 VanDerWaalsContact CE-OE1 3.24Å; K5-E7 WeakPolarHBondContact CE-OE1 3.49Å; K5-E7 HydrophobicContact CG-CG 4.43Å; K5-E7 IonicContact NZ-OE1 2.67Å; K5-E7 PolarHBondContact NZ-OE1 3.23Å; E7-K9 PolarHBondContact O-N 2.96Å; E7-D10 PolarHBondContact N-O 3.36Å; E7-D10 PolarHBondContact O-N 3.22Å; E7-I12 HydrophobicContact CB-CD1 4.28Å; E7-I12 HydrophobicContact CG-CD1 3.97Å
8G91.4Very high90.1Very high72 Ų72112.4 Ų112.474%0.74256%0.56SS**THydrogen-bonded Turntrans64.1-119.7-173.900000112.1D10G8-D10 VanDerWaalsContact C-N 3.34Å
9K92.1Very high89.7Confident206 Ų206110.1 Ų110.190%0.89655%0.55SS*.THydrogen-bonded Turntrans-82.9-14.5176.5-65.3-178.6-178.3-179.80112.5E7E7-K9 PolarHBondContact O-N 2.96Å
10D92.4Very high89.3Confident111 Ų111112.1 Ų112.159%0.59456%0.557SS**EExtended strand (participates in β ladder)trans-90.2138.3-171.5-56.7-45000111Q6 E7 G8Q6-D10 WeakPolarHBondContact CA-O 3.35Å; E7-D10 PolarHBondContact N-O 3.36Å; E7-D10 PolarHBondContact O-N 3.22Å; G8-D10 VanDerWaalsContact C-N 3.34Å
11R91.9Very high89.3Confident181 Ų181112.3 Ų112.368%0.68356%0.557SS**EExtended strand (participates in β ladder)trans-108.8110.4171.6-69.717865.5-174.6-1.1108.3Q6Q6-R11 HydrophobicContact CG-CG 4.38Å
12I93.2Very high89.6Confident59 Ų59107 Ų10730%0.30354%0.535SS..EExtended strand (participates in β ladder)trans-97.4116.2-180-52.4173.3000108.1C4 K5 E7 F14C4-I12 CarbonylContact C-O 3.55Å; C4-I12 WeakPolarHBondContact CA-O 3.39Å; K5-I12 PolarHBondContact N-O 3.5Å; K5-I12 PolarHBondContact O-N 3.01Å; E7-I12 HydrophobicContact CB-CD1 4.28Å; E7-I12 HydrophobicContact CG-CD1 3.97Å; I12-F14 HydrophobicContact CB-CE2 4.14Å; I12-F14 HydrophobicContact CG2-CD2 4.1Å; I12-F14 HydrophobicContact CG2-CE1 4.48Å; I12-F14 HydrophobicContact CG2-CE2 3.45Å; I12-F14 VanDerWaalsContact CG2-CE2 3.45Å; I12-F14 HydrophobicContact CG2-CZ 3.68Å
13I91.2Very high89.4Confident101 Ų101109.6 Ų109.652%0.51855%0.551SS.*EExtended strand (participates in β ladder)trans-101.3116.1179.8-50.4-178.7000108.5V15I13-V15 HydrophobicContact CG2-CG2 3.91Å
14F91.9Very high88.9Confident88 Ų88107.9 Ų107.939%0.38656%0.559SS.*EExtended strand (participates in β ladder)trans-92.5102.4173.8-68-89.6000108.7S2 Y3 K5 I12S2-F14 CarbonylContact C-O 3.38Å; S2-F14 WeakPolarHBondContact CA-O 3.36Å; S2-F14 VanDerWaalsContact CB-O 3.29Å; S2-F14 WeakPolarHBondContact CB-O 3.47Å; Y3-F14 HydrophobicContact CD1-CB 4.02Å; Y3-F14 HydrophobicContact CD2-CD2 4.14Å; Y3-F14 HydrophobicContact CE1-CB 3.68Å; Y3-F14 HydrophobicContact CE1-CD2 4.34Å; Y3-F14 HydrophobicContact CE1-CG 4.07Å; Y3-F14 HydrophobicContact CE2-CB 4.26Å; Y3-F14 AromaticContact CE2-CD2 3.46Å; Y3-F14 HydrophobicContact CE2-CD2 3.46Å; Y3-F14 VanDerWaalsContact CE2-CD2 3.46Å; Y3-F14 HydrophobicContact CE2-CE2 4.06Å; Y3-F14 HydrophobicContact CE2-CG 4.03Å; Y3-F14 HydrophobicContact CG-CB 4.45Å; Y3-F14 AromaticContact CZ-CD2 3.58Å; Y3-F14 AromaticContact CZ-CG 3.66Å; Y3-F14 PolarHBondContact N-O 2.98Å; Y3-F14 PolarHBondContact O-N 3.32Å; K5-F14 HydrophobicContact CB-CE2 4.16Å; I12-F14 HydrophobicContact CB-CE2 4.14Å; I12-F14 HydrophobicContact CG2-CD2 4.1Å; I12-F14 HydrophobicContact CG2-CE1 4.48Å; I12-F14 HydrophobicContact CG2-CE2 3.45Å; I12-F14 VanDerWaalsContact CG2-CE2 3.45Å; I12-F14 HydrophobicContact CG2-CZ 3.68Å
15V90.8Very high88.4Confident77 Ų77111.4 Ų111.447%0.46757%0.573SS.*  trans-88.7137-179.2-170.60000109.5I13 D19 H20I13-V15 HydrophobicContact CG2-CG2 3.91Å; V15-D19 HydrophobicContact CG1-CB 3.77Å; V15-H20 HydrophobicContact CG1-CB 3.9Å
16T90.4Very high87.6Confident38 Ų38109.8 Ų109.823%0.23358%0.579CS.*  trans-82.7161173.462.30000110.8E18 D19 H20T16-E18 VanDerWaalsContact C-N 3.25Å; T16-E18 PolarHBondContact O-N 3.35Å; T16-D19 PolarHBondContact O-N 2.84Å; T16-D19 PolarHBondContact OG1-N 3.11Å; T16-D19 PolarHBondContact OG1-OD2 3.14Å; T16-H20 PolarHBondContact O-N 3.32Å
17K87.8Confident86.7Confident145 Ų145110.8 Ų110.863%0.6358%0.583SS**Hα-helixtrans-59.4-42.4-178-167.1-177.1-176.8-1000110.8H20 E21K17-H20 PolarHBondContact O-N 2.95Å; K17-E21 WeakPolarHBondContact CE-OE1 3.5Å; K17-E21 IonicContact NZ-OE1 2.65Å; K17-E21 PolarHBondContact NZ-OE1 3.34Å; K17-E21 WeakPolarHBondContact O-CB 3.43Å; K17-E21 VanDerWaalsContact O-CG 3.23Å; K17-E21 WeakPolarHBondContact O-CG 3.39Å; K17-E21 PolarHBondContact O-N 3.04Å
18E85.8Confident85.6Confident124 Ų124114 Ų11458%0.57960%0.603SS**Hα-helixtrans-65.1-40.5179.7-60.975.1-165.300111.9T16 H20 E21 T22T16-E18 VanDerWaalsContact C-N 3.25Å; T16-E18 PolarHBondContact O-N 3.35Å; E18-H20 VanDerWaalsContact C-N 3.35Å; E18-E21 PolarHBondContact O-N 3.1Å; E18-T22 PolarHBondContact O-N 3.36Å; E18-T22 PolarHBondContact O-OG1 2.91Å
19D81.9Confident84.6Confident67 Ų67115.8 Ų115.836%0.35859%0.594SS.*Hα-helixtrans-68.8-33.2177.2-66.9-28.6000112S2 V15 T16S2-D19 WeakPolarHBondContact CB-OD2 3.36Å; S2-D19 PolarHBondContact N-OD2 2.63Å; S2-D19 PolarHBondContact OG-OD2 2.92Å; V15-D19 HydrophobicContact CG1-CB 3.77Å; T16-D19 PolarHBondContact O-N 2.84Å; T16-D19 PolarHBondContact OG1-N 3.11Å; T16-D19 PolarHBondContact OG1-OD2 3.14Å
20H82.4Confident83.2Confident150 Ų150109.8 Ų109.869%0.69458%0.583SS**Hα-helixtrans-77.7-27.2176.7-175.3-81.6000112.9V15 T16 K17 E18 T22V15-H20 HydrophobicContact CG1-CB 3.9Å; T16-H20 PolarHBondContact O-N 3.32Å; K17-H20 PolarHBondContact O-N 2.95Å; E18-H20 VanDerWaalsContact C-N 3.35Å; H20-T22 PolarHBondContact O-N 2.94Å
21E87.8Confident81.8Confident118 Ų118110.7 Ų110.755%0.55159%0.588SS**Hα-helixtrans-71.7-19.3176.2-78.4172.8177.200112.5K17 E18K17-E21 WeakPolarHBondContact CE-OE1 3.5Å; K17-E21 IonicContact NZ-OE1 2.65Å; K17-E21 PolarHBondContact NZ-OE1 3.34Å; K17-E21 WeakPolarHBondContact O-CB 3.43Å; K17-E21 VanDerWaalsContact O-CG 3.23Å; K17-E21 WeakPolarHBondContact O-CG 3.39Å; K17-E21 PolarHBondContact O-N 3.04Å; E18-E21 PolarHBondContact O-N 3.1Å
22T85.5Confident80.6Confident94 Ų94104.9 Ų104.958%0.57757%0.571SS**SBendtrans-82.5124.9178-40.10000109.2E18 H20 S24E18-T22 PolarHBondContact O-N 3.36Å; E18-T22 PolarHBondContact O-OG1 2.91Å; H20-T22 PolarHBondContact O-N 2.94Å; T22-S24 PolarHBondContact O-N 3.35Å
23P82.6Confident79.4Confident114 Ų114108.1 Ų108.174%0.7460%0.595SS**PPolyproline II helixtrans-59.5141.5176.523.7-32000110.3N25P23-N25 PolarHBondContact O-N 3.36Å
24S79.7Confident78.4Confident102 Ų102110.2 Ų110.271%0.71361%0.607SS**PPolyproline II helixtrans-59.5134.4179.9-174.30000110.6T22 A26T22-S24 PolarHBondContact O-N 3.35Å; S24-A26 PolarHBondContact O-N 3.36Å; S24-A26 VanDerWaalsContact OG-CB 3.3Å; S24-A26 WeakPolarHBondContact OG-CB 3.49Å; S24-A26 PolarHBondContact OG-N 2.9Å
25N79.5Confident77.2Confident150 Ų150109 Ų10980%0.80261%0.605SS**  trans-90.221.8169.8-161.3-8.2000111.5P23 E27P23-N25 PolarHBondContact O-N 3.36Å; N25-E27 PolarHBondContact O-N 2.83Å
26A77.8Confident75.9Confident68 Ų68109 Ų10956%0.56261%0.607SS**  trans-74.3111.4172.600000108.5S24 L28S24-A26 PolarHBondContact O-N 3.36Å; S24-A26 VanDerWaalsContact OG-CB 3.3Å; S24-A26 WeakPolarHBondContact OG-CB 3.49Å; S24-A26 PolarHBondContact OG-N 2.9Å; A26-L28 PolarHBondContact O-N 3.19Å
27E73.4Confident74.4Confident162 Ų162116.1 Ų116.176%0.75763%0.631SS**  trans-75115.7167-69.4-177.7159.200108.1N25 I29N25-E27 PolarHBondContact O-N 2.83Å; E27-I29 PolarHBondContact O-N 3.1Å
28L68Low73Confident167 Ų167113.8 Ų113.887%0.87462%0.622SS**  trans-77.7103.3167.6-61.8-178.2000107A26 A30A26-L28 PolarHBondContact O-N 3.19Å; L28-A30 PolarHBondContact O-N 3.45Å
29I70.8Confident71.5Confident110 Ų110114.6 Ų114.656%0.56463%0.626SS**  trans-75.4111.3172.3-60.7133.3000106.1E27 D31 D32E27-I29 PolarHBondContact O-N 3.1Å; I29-D31 VanDerWaalsContact C-N 3.27Å; I29-D32 HydrophobicContact CG2-CB 4.11Å
30A62.2Low70.7Confident80 Ų80117 Ų11766%0.66164%0.635SS**SBendtrans-78-13-176.500000113.5L28L28-A30 PolarHBondContact O-N 3.45Å
31D62.8Low70.3Confident130 Ų130111.2 Ų111.270%0.69562%0.616SS**  trans-131.964.3-178.2-60.3-96.5000108.5I29 P33I29-D31 VanDerWaalsContact C-N 3.27Å; D31-P33 WeakPolarHBondContact O-CD 3.46Å
32D68.1Low70.2Confident59 Ų59108.6 Ų108.632%0.31661%0.605SS.*  trans-88.2110.1173.2-174-31.9000107.5I29 D34 D35I29-D32 HydrophobicContact CG2-CB 4.11Å; D32-D34 PolarHBondContact O-N 3.07Å; D32-D34 PolarHBondContact OD1-N 2.92Å; D32-D35 HydrophobicContact CB-CB 4.07Å; D32-D35 WeakPolarHBondContact O-CB 3.34Å; D32-D35 PolarHBondContact O-N 3.25Å
33P67.4Low70.2Confident126 Ų126107 Ų10782%0.81859%0.593SS**THydrogen-bonded Turntrans-64.4-11.3-175.528.7-36.3000113.6D31D31-P33 WeakPolarHBondContact O-CD 3.46Å
34D70.3Confident70.4Confident145 Ų145104.6 Ų104.678%0.77557%0.573SS**THydrogen-bonded Turntrans-102.86.2174.2-75-65.4000112.5D32 P36D32-D34 PolarHBondContact O-N 3.07Å; D32-D34 PolarHBondContact OD1-N 2.92Å; D34-P36 WeakPolarHBondContact O-CD 3.47Å
35D66Low70.5Confident64 Ų64105 Ų10534%0.34257%0.574SS.*  trans-73.2107.7176.4-170.4-21.1000110.8D32 Y37 E38D32-D35 HydrophobicContact CB-CB 4.07Å; D32-D35 WeakPolarHBondContact O-CB 3.34Å; D32-D35 PolarHBondContact O-N 3.25Å; D35-Y37 PolarHBondContact O-N 3.18Å; D35-Y37 VanDerWaalsContact O-N 3.1Å; D35-Y37 WeakPolarHBondContact OD1-CA 3.43Å; D35-Y37 VanDerWaalsContact OD1-CB 3.26Å; D35-Y37 WeakPolarHBondContact OD1-CB 3.01Å; D35-Y37 VanDerWaalsContact OD1-CD2 3.3Å; D35-Y37 WeakPolarHBondContact OD1-CD2 3.42Å; D35-Y37 PolarHBondContact OD1-N 3.31Å; D35-E38 HydrophobicContact CB-CB 4.22Å; D35-E38 PolarHBondContact O-N 3.24Å
36P63.9Low70.8Confident77 Ų77102.6 Ų102.650%0.556%0.561SS.*THydrogen-bonded Turntrans-72.7-1.8-178.734.5-36.9000112.9D34 Q40D34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-Q40 PolarHBondContact O-NE2 3.27Å; P36-Q40 PolarHBondContact O-OE1 3.05Å; P36-Q40 VanDerWaalsContact O-OE1 3.08Å
37Y58Low71.1Confident186 Ų186100.8 Ų100.873%0.72955%0.549SS*.THydrogen-bonded Turntrans-98.7-21.6176.7-60.1-81.4000112.7D35 E39 Q40D35-Y37 PolarHBondContact O-N 3.18Å; D35-Y37 VanDerWaalsContact O-N 3.1Å; D35-Y37 WeakPolarHBondContact OD1-CA 3.43Å; D35-Y37 VanDerWaalsContact OD1-CB 3.26Å; D35-Y37 WeakPolarHBondContact OD1-CB 3.01Å; D35-Y37 VanDerWaalsContact OD1-CD2 3.3Å; D35-Y37 WeakPolarHBondContact OD1-CD2 3.42Å; D35-Y37 PolarHBondContact OD1-N 3.31Å; Y37-E39 VanDerWaalsContact C-N 3.28Å; Y37-E39 PolarHBondContact O-N 3.31Å; Y37-Q40 PolarHBondContact O-N 3.23Å
38E59Low71.8Confident96 Ų9698.4 Ų98.445%0.44954%0.537SS..G310 helixtrans-66.5-34177.1-140.5-176147.100111.2D35 Q40D35-E38 HydrophobicContact CB-CB 4.22Å; D35-E38 PolarHBondContact O-N 3.24Å; E38-Q40 VanDerWaalsContact C-N 3.3Å; E38-Q40 PolarHBondContact O-N 3.45Å
39E55.7Low72.9Confident141 Ų14191 Ų9166%0.65950%0.498SS*.G310 helixtrans-73.4-17.6179-164.2168.7-156.600113.3Y37 G41Y37-E39 VanDerWaalsContact C-N 3.28Å; Y37-E39 PolarHBondContact O-N 3.31Å; E39-G41 VanDerWaalsContact C-N 3.25Å; E39-G41 PolarHBondContact O-N 2.99Å
40Q64.8Low73.7Confident118 Ų11887.8 Ų87.855%0.55148%0.483SS*.G310 helixtrans-9235.5-179.9-81.582.6-67.500112.8P36 Y37 E38P36-Q40 PolarHBondContact O-NE2 3.27Å; P36-Q40 PolarHBondContact O-OE1 3.05Å; P36-Q40 VanDerWaalsContact O-OE1 3.08Å; Y37-Q40 PolarHBondContact O-N 3.23Å; E38-Q40 VanDerWaalsContact C-N 3.3Å; E38-Q40 PolarHBondContact O-N 3.45Å
41G74.3Confident75Confident29 Ų2987.1 Ų87.130%0.29946%0.463SS..SBendtrans-66.9174.1178.900000115E39 I43E39-G41 VanDerWaalsContact C-N 3.25Å; E39-G41 PolarHBondContact O-N 2.99Å; G41-I43 PolarHBondContact O-N 3.46Å
42L84.3Confident76.1Confident62 Ų6287.5 Ų87.533%0.32547%0.465SS..SBendtrans-58.6-29.9170.1-94.7155.9000113N50 L56L42-N50 PolarHBondContact O-N 2.99Å; L42-L56 HydrophobicContact CD2-CD1 3.73Å; L42-L56 HydrophobicContact CD2-CD2 3.35Å; L42-L56 HydrophobicContact CD2-CG 3.27Å
43I86.8Confident76.9Confident62 Ų6285.1 Ų85.132%0.31845%0.453SS..BIsolated β-bridgetrans-111.7123.1-176.8-52.8-54000107.7G41 I49 H76G41-I43 PolarHBondContact O-N 3.46Å; I43-I49 HydrophobicContact CD1-CG1 3.86Å; I43-H76 WeakPolarHBondContact CD1-CE1 3.33Å
44L85.6Confident77.7Confident62 Ų6284.8 Ų84.833%0.32545%0.451SS..  trans-71.6158.4176.6-66.8174.9000110.2N46 G47 E48 N50L44-N46 WeakPolarHBondContact CB-OD1 3.36Å; L44-N46 PolarHBondContact O-N 3.44Å; L44-G47 PolarHBondContact O-N 3.35Å; L44-E48 WeakPolarHBondContact CB-O 3.49Å; L44-E48 HydrophobicContact CD1-CB 4.33Å; L44-E48 PolarHBondContact N-O 3.5Å; L44-N50 HydrophobicContact CD2-CB 4.02Å; L44-N50 HydrophobicContact CG-CB 4.02Å
45P82.8Confident78.4Confident112 Ų11282.8 Ų82.873%0.72745%0.447SS*.THydrogen-bonded Turntrans-57.3-20.4176.5-25.633.8000114.4G47P45-G47 VanDerWaalsContact C-N 3.32Å
46N85.2Confident79.2Confident99 Ų9980.5 Ų80.553%0.52944%0.435SS..THydrogen-bonded Turntrans-83.6-3.1176.169.5-6.7000113.9L44 E48L44-N46 WeakPolarHBondContact CB-OD1 3.36Å; L44-N46 PolarHBondContact O-N 3.44Å; N46-E48 VanDerWaalsContact ND2-CD 3.28Å; N46-E48 PolarHBondContact ND2-OE2 3.08Å; N46-E48 VanDerWaalsContact OD1-CB 3.3Å; N46-E48 WeakPolarHBondContact OD1-CB 3.49Å; N46-E48 PolarHBondContact OD1-N 2.04Å
47G84.4Confident80Confident30 Ų3079.9 Ų79.931%0.30944%0.443SS..SBendtrans82.89.6-176.900000114.8L44 P45 Y77L44-G47 PolarHBondContact O-N 3.35Å; P45-G47 VanDerWaalsContact C-N 3.32Å; G47-Y77 WeakPolarHBondContact O-CE1 3.4Å; G47-Y77 PolarHBondContact O-OH 3.21Å
48E88Confident81.2Confident111 Ų11173.1 Ų73.152%0.51943%0.429SS..  trans-90.7151.5173.2-62.5-179.3151.600111.4L44 N46L44-E48 WeakPolarHBondContact CB-O 3.49Å; L44-E48 HydrophobicContact CD1-CB 4.33Å; L44-E48 PolarHBondContact N-O 3.5Å; N46-E48 VanDerWaalsContact ND2-CD 3.28Å; N46-E48 PolarHBondContact ND2-OE2 3.08Å; N46-E48 VanDerWaalsContact OD1-CB 3.3Å; N46-E48 WeakPolarHBondContact OD1-CB 3.49Å; N46-E48 PolarHBondContact OD1-N 2.04Å
49I90Very high82.5Confident11 Ų1171.6 Ų71.66%0.05642%0.423CS..BIsolated β-bridgetrans-80.7125.5178.3-63.2151.9000109.9I43 W51 L56 F72 H76I43-I49 HydrophobicContact CD1-CG1 3.86Å; I49-W51 HydrophobicContact CB-CH2 4.3Å; I49-W51 HydrophobicContact CB-CZ2 3.93Å; I49-W51 HydrophobicContact CD1-CH2 3.98Å; I49-W51 HydrophobicContact CD1-CZ2 3.91Å; I49-W51 HydrophobicContact CG2-CD2 3.9Å; I49-W51 HydrophobicContact CG2-CE3 3.86Å; I49-W51 HydrophobicContact CG2-CH2 3.84Å; I49-W51 HydrophobicContact CG2-CZ2 3.87Å; I49-W51 HydrophobicContact CG2-CZ3 3.84Å; I49-W51 PolarHBondContact O-N 3.4Å; I49-W51 VanDerWaalsContact O-N 3.12Å; I49-L56 HydrophobicContact CG2-CD1 4.48Å; I49-F72 HydrophobicContact CD1-CD1 3.83Å; I49-F72 HydrophobicContact CD1-CE1 4.17Å; I49-F72 HydrophobicContact CG1-CD1 4.36Å; I49-F72 HydrophobicContact CG1-CE1 4.23Å; I49-F72 HydrophobicContact CG2-CD1 4.06Å; I49-F72 HydrophobicContact CG2-CE1 3.87Å; I49-H76 HydrophobicContact CD1-CB 4.04Å
50N88.8Confident84Confident43 Ų4365 Ų6523%0.2339%0.393CS..  trans-78.989.6173.6-176.96.7000111.1L42 L44 N52 C53 L56L42-N50 PolarHBondContact O-N 2.99Å; L44-N50 HydrophobicContact CD2-CB 4.02Å; L44-N50 HydrophobicContact CG-CB 4.02Å; N50-N52 PolarHBondContact O-N 2.92Å; N50-N52 PolarHBondContact OD1-N 2.89Å; N50-C53 HydrophobicContact CB-CB 4.39Å; N50-C53 VanDerWaalsContact O-CB 3.31Å; N50-C53 WeakPolarHBondContact O-CB 3.39Å; N50-C53 PolarHBondContact O-N 3.4Å; N50-C53 VanDerWaalsContact O-N 3.07Å; N50-L56 VanDerWaalsContact O-CD1 3.27Å; N50-L56 WeakPolarHBondContact O-CD1 3.43Å
51W89Confident85Confident66 Ų6663.7 Ų63.725%0.2540%0.396CS..THydrogen-bonded Turntrans-63.5-11.8179.2-58.1109000115.2I49 L56 A60 F68 K69 F72I49-W51 HydrophobicContact CB-CH2 4.3Å; I49-W51 HydrophobicContact CB-CZ2 3.93Å; I49-W51 HydrophobicContact CD1-CH2 3.98Å; I49-W51 HydrophobicContact CD1-CZ2 3.91Å; I49-W51 HydrophobicContact CG2-CD2 3.9Å; I49-W51 HydrophobicContact CG2-CE3 3.86Å; I49-W51 HydrophobicContact CG2-CH2 3.84Å; I49-W51 HydrophobicContact CG2-CZ2 3.87Å; I49-W51 HydrophobicContact CG2-CZ3 3.84Å; I49-W51 PolarHBondContact O-N 3.4Å; I49-W51 VanDerWaalsContact O-N 3.12Å; W51-L56 HydrophobicContact CE3-CD1 4.01Å; W51-A60 HydrophobicContact CB-CB 4.37Å; W51-A60 HydrophobicContact CD2-CB 4.27Å; W51-A60 HydrophobicContact CE3-CB 3.49Å; W51-A60 VanDerWaalsContact CE3-CB 3.49Å; W51-A60 HydrophobicContact CZ3-CB 4.19Å; W51-F68 HydrophobicContact CZ3-CD1 4.11Å; W51-F68 AromaticContact CZ3-CE1 3.91Å; W51-F68 HydrophobicContact CZ3-CE1 3.91Å; W51-K69 HydrophobicContact CD2-CD 4.21Å; W51-K69 HydrophobicContact CD2-CG 3.8Å; W51-K69 HydrophobicContact CE3-CG 3.73Å; W51-K69 VanDerWaalsContact CH2-CA 3.43Å; W51-K69 HydrophobicContact CH2-CB 3.81Å; W51-K69 HydrophobicContact CH2-CG 3.71Å; W51-K69 HydrophobicContact CZ2-CB 3.87Å; W51-K69 HydrophobicContact CZ2-CG 3.78Å; W51-K69 HydrophobicContact CZ3-CB 4.24Å; W51-K69 HydrophobicContact CZ3-CG 3.68Å; W51-F72 HydrophobicContact CH2-CB 4.12Å; W51-F72 AromaticContact CH2-CD1 3.87Å; W51-F72 HydrophobicContact CH2-CD1 3.87Å; W51-F72 HydrophobicContact CH2-CG 4.45Å; W51-F72 HydrophobicContact CZ3-CB 4.32Å; W51-F72 AromaticContact CZ3-CD1 3.94Å; W51-F72 HydrophobicContact CZ3-CD1 3.94Å; W51-F72 HydrophobicContact CZ3-CG 4.45Å
52N85.9Confident85.7Confident139 Ų13964 Ų6474%0.74340%0.4SS*.THydrogen-bonded Turntrans-95-0.8178.5-65.5-8.8000112.5N50 P54N50-N52 PolarHBondContact O-N 2.92Å; N50-N52 PolarHBondContact OD1-N 2.89Å; N52-P54 WeakPolarHBondContact O-CD 3.28Å
53C85.9Confident86.1Confident9 Ų964.1 Ų64.16%0.06140%0.404CS..  trans-64.3122.5177.6-172.40000109.5N50 C55 L56N50-C53 HydrophobicContact CB-CB 4.39Å; N50-C53 VanDerWaalsContact O-CB 3.31Å; N50-C53 WeakPolarHBondContact O-CB 3.39Å; N50-C53 PolarHBondContact O-N 3.4Å; N50-C53 VanDerWaalsContact O-N 3.07Å; C53-C55 PolarHBondContact O-N 2.94Å; C53-L56 PolarHBondContact O-N 2.02Å
54P84.3Confident86.5Confident119 Ų11961.2 Ų61.277%0.77339%0.389SS*.G310 helixtrans-59.3-22.2-178.722.4-32.3000112.8N52 L56 G57N52-P54 WeakPolarHBondContact O-CD 3.28Å; P54-L56 PolarHBondContact O-N 3.36Å; P54-G57 PolarHBondContact O-N 3.48Å
55C83.4Confident86.8Confident102 Ų10258.4 Ų58.469%0.68938%0.375SS*.G310 helixtrans-63.3-22.9175.4-54.80000113.9C53 G57C53-C55 PolarHBondContact O-N 2.94Å; C55-G57 PolarHBondContact O-N 3.41Å
56L83.4Confident87.4Confident16 Ų1656.5 Ų56.58%0.08437%0.365CS..G310 helixtrans-72.7-0.7176.4-78.4166.9000113.7L42 I49 N50 W51 C53 P54 G58 M59 F68 F72L42-L56 HydrophobicContact CD2-CD1 3.73Å; L42-L56 HydrophobicContact CD2-CD2 3.35Å; L42-L56 HydrophobicContact CD2-CG 3.27Å; I49-L56 HydrophobicContact CG2-CD1 4.48Å; N50-L56 VanDerWaalsContact O-CD1 3.27Å; N50-L56 WeakPolarHBondContact O-CD1 3.43Å; W51-L56 HydrophobicContact CE3-CD1 4.01Å; C53-L56 PolarHBondContact O-N 2.02Å; P54-L56 PolarHBondContact O-N 3.36Å; L56-G58 PolarHBondContact O-N 3.49Å; L56-M59 PolarHBondContact O-N 2.61Å; L56-F68 HydrophobicContact CD2-CE1 4.14Å; L56-F68 HydrophobicContact CD2-CZ 4.12Å; L56-F72 HydrophobicContact CD2-CE1 4.33Å; L56-F72 HydrophobicContact CD2-CZ 4.28Å
57G81.4Confident87.8Confident65 Ų6554 Ų5467%0.6735%0.35SS*.THydrogen-bonded Turntrans60.622.9176.300000113.5P54 C55 M59P54-G57 PolarHBondContact O-N 3.48Å; C55-G57 PolarHBondContact O-N 3.41Å; G57-M59 PolarHBondContact O-N 3.45Å
58G82.9Confident88.3Confident43 Ų4353.6 Ų53.644%0.44334%0.339SS..THydrogen-bonded Turntrans65.85.7179.400000115.5L56 A60 S61L56-G58 PolarHBondContact O-N 3.49Å; G58-A60 PolarHBondContact O-N 3.14Å; G58-S61 CarbonylContact O-C 3.58Å; G58-S61 WeakPolarHBondContact O-CA 3.04Å; G58-S61 PolarHBondContact O-N 3.28Å
59M85.2Confident88.6Confident65 Ų6551.9 Ų51.932%0.3233%0.33SS..THydrogen-bonded Turntrans-61.1-30.8-177.8-64.2-177.272.300112.6L56 G57 S61 G65 F68 M98L56-M59 PolarHBondContact O-N 2.61Å; G57-M59 PolarHBondContact O-N 3.45Å; M59-S61 PolarHBondContact O-N 2.77Å; M59-G65 WeakPolarHBondContact O-CA 3.37Å; M59-F68 HydrophobicContact CB-CD1 4.11Å; M59-F68 HydrophobicContact CB-CD2 3.69Å; M59-F68 HydrophobicContact CB-CE1 4.06Å; M59-F68 HydrophobicContact CB-CE2 3.65Å; M59-F68 HydrophobicContact CB-CG 3.94Å; M59-F68 HydrophobicContact CB-CZ 3.85Å; M59-F68 HydrophobicContact CE-CD2 3.79Å; M59-F68 HydrophobicContact CE-CE2 3.8Å; M59-F68 HydrophobicContact CG-CE2 4.29Å; M59-F68 HydrophobicContact SD-CD2 4.21Å; M59-F68 HydrophobicContact SD-CE2 3.68Å; M59-F68 HydrophobicContact SD-CZ 4.34Å; M59-M98 HydrophobicContact CE-CE 3.57Å; M59-M98 HydrophobicContact CE-SD 4.18Å
60A87.6Confident88.8Confident3 Ų356 Ų563%0.02535%0.35CS..THydrogen-bonded Turntrans-68.8-13.5174.100000114W51 G58 F68 K69W51-A60 HydrophobicContact CB-CB 4.37Å; W51-A60 HydrophobicContact CD2-CB 4.27Å; W51-A60 HydrophobicContact CE3-CB 3.49Å; W51-A60 VanDerWaalsContact CE3-CB 3.49Å; W51-A60 HydrophobicContact CZ3-CB 4.19Å; G58-A60 PolarHBondContact O-N 3.14Å; A60-F68 HydrophobicContact CB-CD1 3.9Å; A60-F68 HydrophobicContact CB-CE1 4.06Å; A60-K69 HydrophobicContact CB-CG 4.24Å; A60-K69 WeakPolarHBondContact O-CE 3.3Å; A60-K69 PolarHBondContact O-NZ 3.03Å
61S86.5Confident89Confident90 Ų9054 Ų5463%0.62934%0.339SS*.SBendtrans-122.275-177.3-69.20000109.6G58 M59G58-S61 CarbonylContact O-C 3.58Å; G58-S61 WeakPolarHBondContact O-CA 3.04Å; G58-S61 PolarHBondContact O-N 3.28Å; M59-S61 PolarHBondContact O-N 2.77Å
62G89.3Confident89.2Confident36 Ų3653 Ų5337%0.37134%0.336SS..SBendtrans-167-179.1-18000000112.2C64 G65G62-C64 PolarHBondContact O-N 2.99Å; G62-G65 PolarHBondContact O-N 3.03Å
63P92.4Very high89.5Confident63 Ų6348 Ų4841%0.40931%0.312SS..THydrogen-bonded Turntrans-61.9-24.4-179.226.2-34.8000113.1Y101 L104 Y105P63-Y101 HydrophobicContact CB-CD1 4.47Å; P63-Y101 HydrophobicContact CB-CD2 4.22Å; P63-Y101 HydrophobicContact CB-CE1 4.09Å; P63-Y101 HydrophobicContact CB-CE2 3.83Å; P63-Y101 HydrophobicContact CG-CD1 4.25Å; P63-Y101 HydrophobicContact CG-CD2 4.06Å; P63-Y101 HydrophobicContact CG-CE1 4.37Å; P63-Y101 HydrophobicContact CG-CE2 4.18Å; P63-Y101 HydrophobicContact CG-CG 4.1Å; P63-L104 HydrophobicContact CG-CD1 3.98Å; P63-Y105 HydrophobicContact CG-CE2 4.07Å
64C94.8Very high89.9Confident2 Ų249.2 Ų49.21%0.01432%0.32CS..THydrogen-bonded Turntrans-103.811175.3-60.60000113.8G62 S66 Q67 F68 C97 M98 Y105G62-C64 PolarHBondContact O-N 2.99Å; C64-S66 VanDerWaalsContact C-N 3.28Å; C64-S66 PolarHBondContact O-N 3.42Å; C64-Q67 PolarHBondContact O-N 2.87Å; C64-F68 PolarHBondContact O-N 2.94Å; C64-F68 VanDerWaalsContact O-N 3.08Å; C64-C97 WeakPolarHBondContact CA-SG 3.13Å; C64-C97 HydrophobicContact CB-CB 3.76Å; C64-C97 WeakPolarHBondContact CB-SG 3.14Å; C64-C97 WeakPolarHBondContact SG-CB 3Å; C64-C97 PolarHBondContact SG-O 3.26Å; C64-C97 VanDerWaalsContact SG-O 3.35Å; C64-C97 CovalentContact SG-SG 2.04Å; C64-C97 PolarHBondContact SG-SG 3.46Å; C64-M98 HydrophobicContact CB-CG 4.23Å; C64-M98 PolarHBondContact SG-N 2.77Å; C64-Y105 HydrophobicContact CB-CE2 4.23Å
65G92.8Very high90.3Very high3 Ų347.4 Ų47.43%0.03130%0.3CS..Hα-helixtrans-63.9-28.7-174.700000114M59 G62 K69M59-G65 WeakPolarHBondContact O-CA 3.37Å; G62-G65 PolarHBondContact O-N 3.03Å; G65-K69 WeakPolarHBondContact O-CB 3.03Å; G65-K69 WeakPolarHBondContact O-CG 3.41Å; G65-K69 PolarHBondContact O-N 3.24Å
66S94.6Very high90.7Very high72 Ų7245.3 Ų45.350%0.50328%0.28SS..Hα-helixtrans-64.2-47.7175.458.10000111.6C64 F68 K69 E70C64-S66 VanDerWaalsContact C-N 3.28Å; C64-S66 PolarHBondContact O-N 3.42Å; S66-F68 VanDerWaalsContact C-N 3.33Å; S66-F68 PolarHBondContact O-N 3.17Å; S66-K69 PolarHBondContact O-N 3.31Å; S66-E70 PolarHBondContact O-N 3Å
67Q94.3Very high91Very high46 Ų4650.4 Ų50.422%0.21530%0.299CS..Hα-helixtrans-68.2-37.6-179.9-52.8-41.710000110.8C64 E70 A71 T93 M94 C97C64-Q67 PolarHBondContact O-N 2.87Å; Q67-E70 PolarHBondContact O-N 3.11Å; Q67-A71 WeakPolarHBondContact O-CB 3.31Å; Q67-A71 PolarHBondContact O-N 3.11Å; Q67-T93 HydrophobicContact CG-CG2 4.21Å; Q67-M94 HydrophobicContact CB-CB 3.87Å; Q67-M94 HydrophobicContact CB-CG 4.31Å; Q67-C97 HydrophobicContact CG-CB 4.4Å
68F94.3Very high91.6Very high21 Ų2147.5 Ų47.59%0.09227%0.269CS..Hα-helixtrans-60.9-46.7173.2179.2-91.6000111.8W51 L56 M59 A60 C64 S66 E70 A71 F72 M94W51-F68 HydrophobicContact CZ3-CD1 4.11Å; W51-F68 AromaticContact CZ3-CE1 3.91Å; W51-F68 HydrophobicContact CZ3-CE1 3.91Å; L56-F68 HydrophobicContact CD2-CE1 4.14Å; L56-F68 HydrophobicContact CD2-CZ 4.12Å; M59-F68 HydrophobicContact CB-CD1 4.11Å; M59-F68 HydrophobicContact CB-CD2 3.69Å; M59-F68 HydrophobicContact CB-CE1 4.06Å; M59-F68 HydrophobicContact CB-CE2 3.65Å; M59-F68 HydrophobicContact CB-CG 3.94Å; M59-F68 HydrophobicContact CB-CZ 3.85Å; M59-F68 HydrophobicContact CE-CD2 3.79Å; M59-F68 HydrophobicContact CE-CE2 3.8Å; M59-F68 HydrophobicContact CG-CE2 4.29Å; M59-F68 HydrophobicContact SD-CD2 4.21Å; M59-F68 HydrophobicContact SD-CE2 3.68Å; M59-F68 HydrophobicContact SD-CZ 4.34Å; A60-F68 HydrophobicContact CB-CD1 3.9Å; A60-F68 HydrophobicContact CB-CE1 4.06Å; C64-F68 PolarHBondContact O-N 2.94Å; C64-F68 VanDerWaalsContact O-N 3.08Å; S66-F68 VanDerWaalsContact C-N 3.33Å; S66-F68 PolarHBondContact O-N 3.17Å; F68-E70 VanDerWaalsContact C-N 3.31Å; F68-E70 PolarHBondContact O-N 2.97Å; F68-A71 PolarHBondContact O-N 3.28Å; F68-F72 HydrophobicContact CE1-CB 4.37Å; F68-F72 HydrophobicContact CZ-CB 4.49Å; F68-F72 HydrophobicContact CZ-CD2 4.41Å; F68-F72 HydrophobicContact CZ-CG 4.49Å; F68-F72 WeakPolarHBondContact O-CB 3.37Å; F68-F72 PolarHBondContact O-N 3.35Å; F68-M94 HydrophobicContact CB-CG 4.27Å; F68-M94 HydrophobicContact CB-SD 3.91Å; F68-M94 HydrophobicContact CD2-SD 3.52Å; F68-M94 VanDerWaalsContact CD2-SD 3.52Å; F68-M94 HydrophobicContact CE2-SD 4.49Å; F68-M94 HydrophobicContact CG-SD 4.16Å
69K93.6Very high91.9Very high76 Ų7654.5 Ų54.533%0.3329%0.29SS..Hα-helixtrans-61.3-41178.6-75.4174.2178.41740112.1W51 A60 G65 S66 S73W51-K69 HydrophobicContact CD2-CD 4.21Å; W51-K69 HydrophobicContact CD2-CG 3.8Å; W51-K69 HydrophobicContact CE3-CG 3.73Å; W51-K69 VanDerWaalsContact CH2-CA 3.43Å; W51-K69 HydrophobicContact CH2-CB 3.81Å; W51-K69 HydrophobicContact CH2-CG 3.71Å; W51-K69 HydrophobicContact CZ2-CB 3.87Å; W51-K69 HydrophobicContact CZ2-CG 3.78Å; W51-K69 HydrophobicContact CZ3-CB 4.24Å; W51-K69 HydrophobicContact CZ3-CG 3.68Å; A60-K69 HydrophobicContact CB-CG 4.24Å; A60-K69 WeakPolarHBondContact O-CE 3.3Å; A60-K69 PolarHBondContact O-NZ 3.03Å; G65-K69 WeakPolarHBondContact O-CB 3.03Å; G65-K69 WeakPolarHBondContact O-CG 3.41Å; G65-K69 PolarHBondContact O-N 3.24Å; S66-K69 PolarHBondContact O-N 3.31Å; K69-S73 WeakPolarHBondContact O-CB 3.29Å; K69-S73 PolarHBondContact O-N 3.43Å; K69-S73 PolarHBondContact O-OG 2.93Å
70E93.9Very high92.2Very high98 Ų9855.8 Ų55.846%0.45830%0.295SS..Hα-helixtrans-67.4-47.4178.8-170173.2-170.500111.7S66 Q67 F68 S73 C74 Q90S66-E70 PolarHBondContact O-N 3Å; Q67-E70 PolarHBondContact O-N 3.11Å; F68-E70 VanDerWaalsContact C-N 3.31Å; F68-E70 PolarHBondContact O-N 2.97Å; E70-S73 PolarHBondContact O-OG 3.3Å; E70-C74 VanDerWaalsContact O-CB 3.3Å; E70-C74 WeakPolarHBondContact O-CB 3.27Å; E70-C74 PolarHBondContact O-N 3.4Å; E70-Q90 HydrophobicContact CG-CG 4.22Å
71A94Very high92Very high0 Ų064.8 Ų64.80%034%0.337CS..Hα-helixtrans-64.2-44.8178.200000112Q67 F68 C74 F75 Q90 F91 M94Q67-A71 WeakPolarHBondContact O-CB 3.31Å; Q67-A71 PolarHBondContact O-N 3.11Å; F68-A71 PolarHBondContact O-N 3.28Å; A71-C74 PolarHBondContact O-N 3.41Å; A71-F75 PolarHBondContact O-N 2.94Å; A71-Q90 HydrophobicContact CB-CB 3.87Å; A71-F91 HydrophobicContact CB-CD1 4Å; A71-F91 HydrophobicContact CB-CD2 4.13Å; A71-F91 HydrophobicContact CB-CE1 4.06Å; A71-F91 HydrophobicContact CB-CE2 4.18Å; A71-F91 HydrophobicContact CB-CG 4.03Å; A71-F91 HydrophobicContact CB-CZ 4.15Å; A71-M94 HydrophobicContact CB-SD 4.49Å
72F92.8Very high92.1Very high45 Ų4565.1 Ų65.120%0.19733%0.334CS..Hα-helixtrans-71.9-37.4-178.2-169.1-97.1000112.6I49 W51 L56 F68 F75 H76I49-F72 HydrophobicContact CD1-CD1 3.83Å; I49-F72 HydrophobicContact CD1-CE1 4.17Å; I49-F72 HydrophobicContact CG1-CD1 4.36Å; I49-F72 HydrophobicContact CG1-CE1 4.23Å; I49-F72 HydrophobicContact CG2-CD1 4.06Å; I49-F72 HydrophobicContact CG2-CE1 3.87Å; W51-F72 HydrophobicContact CH2-CB 4.12Å; W51-F72 AromaticContact CH2-CD1 3.87Å; W51-F72 HydrophobicContact CH2-CD1 3.87Å; W51-F72 HydrophobicContact CH2-CG 4.45Å; W51-F72 HydrophobicContact CZ3-CB 4.32Å; W51-F72 AromaticContact CZ3-CD1 3.94Å; W51-F72 HydrophobicContact CZ3-CD1 3.94Å; W51-F72 HydrophobicContact CZ3-CG 4.45Å; L56-F72 HydrophobicContact CD2-CE1 4.33Å; L56-F72 HydrophobicContact CD2-CZ 4.28Å; F68-F72 HydrophobicContact CE1-CB 4.37Å; F68-F72 HydrophobicContact CZ-CB 4.49Å; F68-F72 HydrophobicContact CZ-CD2 4.41Å; F68-F72 HydrophobicContact CZ-CG 4.49Å; F68-F72 WeakPolarHBondContact O-CB 3.37Å; F68-F72 PolarHBondContact O-N 3.35Å; F72-F75 PolarHBondContact O-N 2.99Å; F72-H76 WeakPolarHBondContact O-CB 3.37Å; F72-H76 PolarHBondContact O-N 3.43Å
73S93.1Very high92Very high34 Ų3468.5 Ų68.524%0.23834%0.339CS..Hα-helixtrans-65.3-41.5172.157.90000111.9K69 E70 F75 H76 Y77K69-S73 WeakPolarHBondContact O-CB 3.29Å; K69-S73 PolarHBondContact O-N 3.43Å; K69-S73 PolarHBondContact O-OG 2.93Å; E70-S73 PolarHBondContact O-OG 3.3Å; S73-F75 PolarHBondContact O-N 3.25Å; S73-H76 PolarHBondContact O-N 3.05Å; S73-Y77 WeakPolarHBondContact O-CB 3.3Å; S73-Y77 WeakPolarHBondContact O-CD2 3.2Å; S73-Y77 PolarHBondContact O-N 3.04Å
74C94Very high91.8Very high34 Ų3465.6 Ų65.623%0.2332%0.321CS..Hα-helixtrans-58.3-48.8173.5-172.90000111.2E70 A71 H76 Y77 S78 C87E70-C74 VanDerWaalsContact O-CB 3.3Å; E70-C74 WeakPolarHBondContact O-CB 3.27Å; E70-C74 PolarHBondContact O-N 3.4Å; A71-C74 PolarHBondContact O-N 3.41Å; C74-H76 PolarHBondContact O-N 3.29Å; C74-Y77 PolarHBondContact O-N 2.71Å; C74-S78 VanDerWaalsContact O-CB 3.29Å; C74-S78 WeakPolarHBondContact O-CB 3.19Å; C74-S78 PolarHBondContact O-N 2.92Å; C74-C87 HydrophobicContact CB-CB 3.71Å; C74-C87 WeakPolarHBondContact CB-SG 3.37Å; C74-C87 PolarHBondContact O-SG 3.12Å; C74-C87 VanDerWaalsContact O-SG 3.36Å; C74-C87 WeakPolarHBondContact SG-CB 3.43Å; C74-C87 CovalentContact SG-SG 2.02Å; C74-C87 PolarHBondContact SG-SG 2.87Å
75F93Very high91.6Very high82 Ų8268.2 Ų68.236%0.3634%0.339SS..Hα-helixtrans-59.4-45.1177.5175.2-97.3000112.9A71 F72 S73 S78 K83 F91A71-F75 PolarHBondContact O-N 2.94Å; F72-F75 PolarHBondContact O-N 2.99Å; S73-F75 PolarHBondContact O-N 3.25Å; F75-S78 PolarHBondContact O-N 3.37Å; F75-K83 HydrophobicContact CD2-CB 4Å; F75-K83 WeakPolarHBondContact CD2-O 3.4Å; F75-K83 HydrophobicContact CE2-CB 3.41Å; F75-K83 VanDerWaalsContact CE2-CB 3.41Å; F75-K83 VanDerWaalsContact CE2-O 3.28Å; F75-K83 WeakPolarHBondContact CE2-O 3.21Å; F75-K83 HydrophobicContact CZ-CB 3.79Å; F75-F91 HydrophobicContact CB-CE2 4.03Å; F75-F91 HydrophobicContact CB-CZ 4.02Å; F75-F91 HydrophobicContact CG-CZ 4.48Å
76H90.7Very high91.7Very high57 Ų5773.4 Ų73.426%0.26436%0.362SS..Hα-helixtrans-64.6-44-178.8-177.960.2000112I43 I49 F72 S73 C74I43-H76 WeakPolarHBondContact CD1-CE1 3.33Å; I49-H76 HydrophobicContact CD1-CB 4.04Å; F72-H76 WeakPolarHBondContact O-CB 3.37Å; F72-H76 PolarHBondContact O-N 3.43Å; S73-H76 PolarHBondContact O-N 3.05Å; C74-H76 PolarHBondContact O-N 3.29Å
77Y90.7Very high91.7Very high124 Ų12470 Ų7049%0.48634%0.338SS..Hα-helixtrans-85.3-8.9-178.5-63.2-52.9000114.5G47 S73 C74 Q79G47-Y77 WeakPolarHBondContact O-CE1 3.4Å; G47-Y77 PolarHBondContact O-OH 3.21Å; S73-Y77 WeakPolarHBondContact O-CB 3.3Å; S73-Y77 WeakPolarHBondContact O-CD2 3.2Å; S73-Y77 PolarHBondContact O-N 3.04Å; C74-Y77 PolarHBondContact O-N 2.71Å; Y77-Q79 PolarHBondContact O-N 3.38Å
78S92.3Very high91.7Very high4 Ų471.4 Ų71.43%0.02835%0.347CS..  trans-60.3134.5177.4178.90000111.2C74 F75 E80 K83 G84 E86C74-S78 VanDerWaalsContact O-CB 3.29Å; C74-S78 WeakPolarHBondContact O-CB 3.19Å; C74-S78 PolarHBondContact O-N 2.92Å; F75-S78 PolarHBondContact O-N 3.37Å; S78-E80 PolarHBondContact OG-N 2.85Å; S78-K83 WeakPolarHBondContact O-CD 3.47Å; S78-K83 PolarHBondContact O-NZ 3.18Å; S78-G84 PolarHBondContact OG-N 3.05Å; S78-G84 VanDerWaalsContact OG-N 3.14Å; S78-E86 WeakPolarHBondContact CA-OE1 3.31Å; S78-E86 VanDerWaalsContact CB-OE1 3.27Å; S78-E86 WeakPolarHBondContact CB-OE1 3.49Å; S78-E86 PolarHBondContact OG-OE1 3.18Å
79Q89.5Confident91.7Very high189 Ų18975.8 Ų75.888%0.88337%0.368SS*.  trans-103.75.2179.4-70.2175.677.500112.4Y77Y77-Q79 PolarHBondContact O-N 3.38Å
80E91.3Very high91.7Very high92 Ų9274.9 Ų74.943%0.4337%0.365SS..SBendtrans-68.9153.1179.4-69.9-63.715500112.3S78 V82 S85S78-E80 PolarHBondContact OG-N 2.85Å; E80-V82 WeakPolarHBondContact CB-O 3.1Å; E80-V82 PolarHBondContact O-N 2.83Å; E80-S85 WeakPolarHBondContact CB-OG 3.26Å; E80-S85 WeakPolarHBondContact CG-OG 3.16Å
81E84.2Confident91.7Very high193 Ų19373.3 Ų73.390%0.90236%0.356SS*.SBendtrans-58.2-38.4179.161.3-179.8171.600111.7
82V88.6Confident91.7Very high96 Ų9679.5 Ų79.558%0.58238%0.38SS*.SBendtrans-102.3105.1166.5-179.60000106.7E80 G84 S85E80-V82 WeakPolarHBondContact CB-O 3.1Å; E80-V82 PolarHBondContact O-N 2.83Å; V82-G84 PolarHBondContact O-N 3.28Å; V82-S85 WeakPolarHBondContact O-CB 3.41Å; V82-S85 PolarHBondContact O-N 3.07Å; V82-S85 PolarHBondContact O-OG 3.19Å
83K86.9Confident91.8Very high107 Ų10780 Ų8047%0.46539%0.387SS..THydrogen-bonded Turntrans-47.9123.4-179.5-72.8-71.2-174167.90111.4F75 S78 S85F75-K83 HydrophobicContact CD2-CB 4Å; F75-K83 WeakPolarHBondContact CD2-O 3.4Å; F75-K83 HydrophobicContact CE2-CB 3.41Å; F75-K83 VanDerWaalsContact CE2-CB 3.41Å; F75-K83 VanDerWaalsContact CE2-O 3.28Å; F75-K83 WeakPolarHBondContact CE2-O 3.21Å; F75-K83 HydrophobicContact CZ-CB 3.79Å; S78-K83 WeakPolarHBondContact O-CD 3.47Å; S78-K83 PolarHBondContact O-NZ 3.18Å; K83-S85 VanDerWaalsContact C-N 3.33Å; K83-S85 PolarHBondContact O-N 3.01Å
84G88Confident91.9Very high3 Ų379.4 Ų79.43%0.03138%0.38CS..THydrogen-bonded Turntrans73.117.8175.600000115.5S78 V82 E86 C87S78-G84 PolarHBondContact OG-N 3.05Å; S78-G84 VanDerWaalsContact OG-N 3.14Å; V82-G84 PolarHBondContact O-N 3.28Å; G84-E86 PolarHBondContact O-N 3.06Å; G84-C87 WeakPolarHBondContact O-CB 3.07Å; G84-C87 PolarHBondContact O-N 3.32Å
85S91.6Very high91.8Very high57 Ų5782.9 Ų82.940%0.39939%0.393SS..G310 helixtrans-55.4-32.5169.260.60000112.4E80 V82 K83 I88E80-S85 WeakPolarHBondContact CB-OG 3.26Å; E80-S85 WeakPolarHBondContact CG-OG 3.16Å; V82-S85 WeakPolarHBondContact O-CB 3.41Å; V82-S85 PolarHBondContact O-N 3.07Å; V82-S85 PolarHBondContact O-OG 3.19Å; K83-S85 VanDerWaalsContact C-N 3.33Å; K83-S85 PolarHBondContact O-N 3.01Å; S85-I88 WeakPolarHBondContact O-CG1 3.27Å
86E94.1Very high91.9Very high111 Ų11183.6 Ų83.652%0.51940%0.398SS..G310 helixtrans-78.6-15.2174.466.5-167128.400114S78 G84S78-E86 WeakPolarHBondContact CA-OE1 3.31Å; S78-E86 VanDerWaalsContact CB-OE1 3.27Å; S78-E86 WeakPolarHBondContact CB-OE1 3.49Å; S78-E86 PolarHBondContact OG-OE1 3.18Å; G84-E86 PolarHBondContact O-N 3.06Å
87C95.4Very high92.1Very high0 Ų081.7 Ų81.70%039%0.39CS..G310 helixtrans-98.66.4-170.7-54.90000113.9C74 G84 E89 Q90 F91C74-C87 HydrophobicContact CB-CB 3.71Å; C74-C87 WeakPolarHBondContact CB-SG 3.37Å; C74-C87 PolarHBondContact O-SG 3.12Å; C74-C87 VanDerWaalsContact O-SG 3.36Å; C74-C87 WeakPolarHBondContact SG-CB 3.43Å; C74-C87 CovalentContact SG-SG 2.02Å; C74-C87 PolarHBondContact SG-SG 2.87Å; G84-C87 WeakPolarHBondContact O-CB 3.07Å; G84-C87 PolarHBondContact O-N 3.32Å; C87-E89 PolarHBondContact O-N 2.92Å; C87-Q90 VanDerWaalsContact CA-OE1 3.28Å; C87-Q90 WeakPolarHBondContact O-CB 3.3Å; C87-Q90 PolarHBondContact O-N 2.99Å; C87-Q90 VanDerWaalsContact O-N 3.1Å; C87-Q90 PolarHBondContact O-OE1 2.84Å; C87-Q90 VanDerWaalsContact O-OE1 3.07Å; C87-F91 HydrophobicContact CB-CD2 4.27Å; C87-F91 HydrophobicContact CB-CE2 4.22Å; C87-F91 WeakPolarHBondContact O-CD2 3.49Å; C87-F91 PolarHBondContact O-N 3.29Å
88I92.8Very high92.2Very high76 Ų7677.2 Ų77.239%0.3937%0.374SS..Hα-helixtrans-60.5-33.8-172.4-61.3-65.7000111.8S85 Q90 F91 R92S85-I88 WeakPolarHBondContact O-CG1 3.27Å; I88-Q90 VanDerWaalsContact C-N 3.33Å; I88-Q90 PolarHBondContact O-N 2.8Å; I88-F91 PolarHBondContact O-N 3.3Å; I88-R92 HydrophobicContact CG2-CG 4.48Å; I88-R92 VanDerWaalsContact CG2-CZ 3.4Å; I88-R92 WeakPolarHBondContact O-CG 3.3Å; I88-R92 PolarHBondContact O-N 3.46Å
89E95.1Very high92.2Very high114 Ų11482.3 Ų82.353%0.53340%0.398SS..Hα-helixtrans-64.2-37.4177.6-67.4-62.9109.400112.4C87 R92 T93C87-E89 PolarHBondContact O-N 2.92Å; E89-R92 WeakPolarHBondContact O-CB 3.3Å; E89-R92 PolarHBondContact O-N 3.39Å; E89-R92 IonicContact OE1-CZ 3.72Å; E89-R92 IonicContact OE1-NH1 2.63Å; E89-R92 PolarHBondContact OE1-NH1 3.23Å; E89-T93 PolarHBondContact O-N 2.67Å; E89-T93 PolarHBondContact O-OG1 2.86Å
90Q93.9Very high92.4Very high56 Ų5681.1 Ų81.126%0.26239%0.385SS..Hα-helixtrans-70.1-41.3179-66.5732.200109.8E70 A71 C87 I88 T93 M94E70-Q90 HydrophobicContact CG-CG 4.22Å; A71-Q90 HydrophobicContact CB-CB 3.87Å; C87-Q90 VanDerWaalsContact CA-OE1 3.28Å; C87-Q90 WeakPolarHBondContact O-CB 3.3Å; C87-Q90 PolarHBondContact O-N 2.99Å; C87-Q90 VanDerWaalsContact O-N 3.1Å; C87-Q90 PolarHBondContact O-OE1 2.84Å; C87-Q90 VanDerWaalsContact O-OE1 3.07Å; I88-Q90 VanDerWaalsContact C-N 3.33Å; I88-Q90 PolarHBondContact O-N 2.8Å; Q90-T93 PolarHBondContact O-N 2.97Å; Q90-M94 WeakPolarHBondContact O-CB 3.23Å; Q90-M94 PolarHBondContact O-N 3.4Å
91F93.3Very high92.4Very high66 Ų6681.5 Ų81.529%0.28938%0.383SS..Hα-helixtrans-63.7-39.8172.2-80.1-77.4000112.5A71 F75 C87 I88 M94 Q95A71-F91 HydrophobicContact CB-CD1 4Å; A71-F91 HydrophobicContact CB-CD2 4.13Å; A71-F91 HydrophobicContact CB-CE1 4.06Å; A71-F91 HydrophobicContact CB-CE2 4.18Å; A71-F91 HydrophobicContact CB-CG 4.03Å; A71-F91 HydrophobicContact CB-CZ 4.15Å; F75-F91 HydrophobicContact CB-CE2 4.03Å; F75-F91 HydrophobicContact CB-CZ 4.02Å; F75-F91 HydrophobicContact CG-CZ 4.48Å; C87-F91 HydrophobicContact CB-CD2 4.27Å; C87-F91 HydrophobicContact CB-CE2 4.22Å; C87-F91 WeakPolarHBondContact O-CD2 3.49Å; C87-F91 PolarHBondContact O-N 3.29Å; I88-F91 PolarHBondContact O-N 3.3Å; F91-M94 HydrophobicContact CD1-CE 3.97Å; F91-M94 WeakPolarHBondContact O-CB 3.47Å; F91-M94 PolarHBondContact O-N 3.01Å; F91-Q95 WeakPolarHBondContact O-CB 3.38Å; F91-Q95 PolarHBondContact O-N 3.45Å
92R94.6Very high92.7Very high130 Ų13075.8 Ų75.849%0.49136%0.363SS..Hα-helixtrans-60.3-48.3173-76.2175.2178.5133.16.9111.3I88 E89 M94 Q95 E96I88-R92 HydrophobicContact CG2-CG 4.48Å; I88-R92 VanDerWaalsContact CG2-CZ 3.4Å; I88-R92 WeakPolarHBondContact O-CG 3.3Å; I88-R92 PolarHBondContact O-N 3.46Å; E89-R92 WeakPolarHBondContact O-CB 3.3Å; E89-R92 PolarHBondContact O-N 3.39Å; E89-R92 IonicContact OE1-CZ 3.72Å; E89-R92 IonicContact OE1-NH1 2.63Å; E89-R92 PolarHBondContact OE1-NH1 3.23Å; R92-M94 VanDerWaalsContact C-N 3.28Å; R92-M94 PolarHBondContact O-N 3.46Å; R92-Q95 PolarHBondContact O-N 3.48Å; R92-Q95 VanDerWaalsContact O-N 3.11Å; R92-E96 WeakPolarHBondContact O-CG 3.26Å; R92-E96 PolarHBondContact O-N 3.47Å
93T95.3Very high92.8Very high56 Ų5678.8 Ų78.834%0.34438%0.376SS..Hα-helixtrans-61-39.5179.1-53.50000111.7Q67 E89 Q90 C97Q67-T93 HydrophobicContact CG-CG2 4.21Å; E89-T93 PolarHBondContact O-N 2.67Å; E89-T93 PolarHBondContact O-OG1 2.86Å; Q90-T93 PolarHBondContact O-N 2.97Å; T93-C97 PolarHBondContact O-N 3.28Å
94M93.8Very high92.8Very high21 Ų2179.1 Ų79.110%0.10338%0.382CS..Hα-helixtrans-62.5-47.4173.4-178.6-165.378.600111.5Q67 F68 A71 Q90 F91 R92 C97 M98Q67-M94 HydrophobicContact CB-CB 3.87Å; Q67-M94 HydrophobicContact CB-CG 4.31Å; F68-M94 HydrophobicContact CB-CG 4.27Å; F68-M94 HydrophobicContact CB-SD 3.91Å; F68-M94 HydrophobicContact CD2-SD 3.52Å; F68-M94 VanDerWaalsContact CD2-SD 3.52Å; F68-M94 HydrophobicContact CE2-SD 4.49Å; F68-M94 HydrophobicContact CG-SD 4.16Å; A71-M94 HydrophobicContact CB-SD 4.49Å; Q90-M94 WeakPolarHBondContact O-CB 3.23Å; Q90-M94 PolarHBondContact O-N 3.4Å; F91-M94 HydrophobicContact CD1-CE 3.97Å; F91-M94 WeakPolarHBondContact O-CB 3.47Å; F91-M94 PolarHBondContact O-N 3.01Å; R92-M94 VanDerWaalsContact C-N 3.28Å; R92-M94 PolarHBondContact O-N 3.46Å; M94-C97 WeakPolarHBondContact O-CA 3.44Å; M94-C97 VanDerWaalsContact O-CB 3.31Å; M94-C97 WeakPolarHBondContact O-CB 3.36Å; M94-C97 PolarHBondContact O-N 3.41Å; M94-C97 VanDerWaalsContact O-N 3.1Å; M94-M98 HydrophobicContact CE-SD 4.2Å; M94-M98 HydrophobicContact CG-SD 4.23Å; M94-M98 WeakPolarHBondContact O-CG 3.1Å; M94-M98 PolarHBondContact O-N 3.1Å
95Q92.8Very high92.9Very high107 Ų10780.5 Ų80.550%0.539%0.387SS..Hα-helixtrans-64.3-41.9-180-169.2163.871.500111.9F91 R92 C97 M98 Q99F91-Q95 WeakPolarHBondContact O-CB 3.38Å; F91-Q95 PolarHBondContact O-N 3.45Å; R92-Q95 PolarHBondContact O-N 3.48Å; R92-Q95 VanDerWaalsContact O-N 3.11Å; Q95-C97 VanDerWaalsContact C-N 3.26Å; Q95-C97 PolarHBondContact O-N 3.43Å; Q95-M98 PolarHBondContact O-N 3.18Å; Q95-M98 VanDerWaalsContact O-N 3.14Å; Q95-Q99 WeakPolarHBondContact O-CG 3.29Å; Q95-Q99 PolarHBondContact O-N 3.08Å
96E94.8Very high92.7Very high96 Ų9682.9 Ų82.945%0.44940%0.401SS..Hα-helixtrans-59.9-35.8171.7-73.3179.7-167.200112.4R92 R100R92-E96 WeakPolarHBondContact O-CG 3.26Å; R92-E96 PolarHBondContact O-N 3.47Å; E96-R100 VanDerWaalsContact C-NH1 3.28Å; E96-R100 PolarHBondContact O-NH1 3.3Å
97C94.6Very high92Very high17 Ų1781.1 Ų81.112%0.11539%0.392CS..Hα-helixtrans-64.4-48.6173.1-176.30000110.7C64 Q67 T93 M94 Q95 Q99 R100 Y101C64-C97 WeakPolarHBondContact CA-SG 3.13Å; C64-C97 HydrophobicContact CB-CB 3.76Å; C64-C97 WeakPolarHBondContact CB-SG 3.14Å; C64-C97 WeakPolarHBondContact SG-CB 3Å; C64-C97 PolarHBondContact SG-O 3.26Å; C64-C97 VanDerWaalsContact SG-O 3.35Å; C64-C97 CovalentContact SG-SG 2.04Å; C64-C97 PolarHBondContact SG-SG 3.46Å; Q67-C97 HydrophobicContact CG-CB 4.4Å; T93-C97 PolarHBondContact O-N 3.28Å; M94-C97 WeakPolarHBondContact O-CA 3.44Å; M94-C97 VanDerWaalsContact O-CB 3.31Å; M94-C97 WeakPolarHBondContact O-CB 3.36Å; M94-C97 PolarHBondContact O-N 3.41Å; M94-C97 VanDerWaalsContact O-N 3.1Å; Q95-C97 VanDerWaalsContact C-N 3.26Å; Q95-C97 PolarHBondContact O-N 3.43Å; C97-Q99 VanDerWaalsContact C-N 3.28Å; C97-Q99 PolarHBondContact O-N 2.73Å; C97-R100 WeakPolarHBondContact O-CB 3.37Å; C97-R100 PolarHBondContact O-N 2.88Å; C97-Y101 VanDerWaalsContact O-CD2 3.3Å; C97-Y101 WeakPolarHBondContact O-CD2 3.39Å
98M92.3Very high90.6Very high30 Ų3090.6 Ų90.615%0.14844%0.437CS..Hα-helixtrans-61.8-36-178-65.4172.586.600112.1M59 C64 M94 Q95 R100 Y101 Y105M59-M98 HydrophobicContact CE-CE 3.57Å; M59-M98 HydrophobicContact CE-SD 4.18Å; C64-M98 HydrophobicContact CB-CG 4.23Å; C64-M98 PolarHBondContact SG-N 2.77Å; M94-M98 HydrophobicContact CE-SD 4.2Å; M94-M98 HydrophobicContact CG-SD 4.23Å; M94-M98 WeakPolarHBondContact O-CG 3.1Å; M94-M98 PolarHBondContact O-N 3.1Å; Q95-M98 PolarHBondContact O-N 3.18Å; Q95-M98 VanDerWaalsContact O-N 3.14Å; M98-R100 PolarHBondContact O-N 3Å; M98-Y101 CarbonylContact O-C 3.35Å; M98-Y101 PolarHBondContact O-N 3.03Å; M98-Y105 HydrophobicContact CB-CD2 3.98Å; M98-Y105 HydrophobicContact CB-CG 4.03Å; M98-Y105 HydrophobicContact CE-CD1 3.32Å; M98-Y105 HydrophobicContact CE-CE1 3.86Å; M98-Y105 HydrophobicContact CE-CG 3.71Å; M98-Y105 HydrophobicContact CG-CD1 4.35Å; M98-Y105 HydrophobicContact CG-CD2 3.98Å; M98-Y105 HydrophobicContact CG-CE2 4.27Å; M98-Y105 HydrophobicContact CG-CG 4.01Å
99Q92.8Very high89.2Confident111 Ų11194.8 Ų94.852%0.51945%0.454SS..Hα-helixtrans-60.6-25.6174.5-72.6173.121.100113.6Q95 C97 Y101Q95-Q99 WeakPolarHBondContact O-CG 3.29Å; Q95-Q99 PolarHBondContact O-N 3.08Å; C97-Q99 VanDerWaalsContact C-N 3.28Å; C97-Q99 PolarHBondContact O-N 2.73Å; Q99-Y101 VanDerWaalsContact C-N 3.27Å; Q99-Y101 PolarHBondContact O-N 3.28Å
100R93.8Very high87.2Confident164 Ų16496.7 Ų96.762%0.61947%0.468SS*.THydrogen-bonded Turntrans-77.2-14175.7-62.9178.5-175.296.2-5.2112.9E96 C97 M98 P102E96-R100 VanDerWaalsContact C-NH1 3.28Å; E96-R100 PolarHBondContact O-NH1 3.3Å; C97-R100 WeakPolarHBondContact O-CB 3.37Å; C97-R100 PolarHBondContact O-N 2.88Å; M98-R100 PolarHBondContact O-N 3Å; R100-P102 VanDerWaalsContact C-CD 3.42Å; R100-P102 WeakPolarHBondContact O-CD 3.24Å
101Y92.1Very high85Confident101 Ų101103.3 Ų103.340%0.39650%0.496SS..  trans-126.262.4-178.5-56.5-81.8000111.6P63 C97 M98 Q99 D103 L104 Y105P63-Y101 HydrophobicContact CB-CD1 4.47Å; P63-Y101 HydrophobicContact CB-CD2 4.22Å; P63-Y101 HydrophobicContact CB-CE1 4.09Å; P63-Y101 HydrophobicContact CB-CE2 3.83Å; P63-Y101 HydrophobicContact CG-CD1 4.25Å; P63-Y101 HydrophobicContact CG-CD2 4.06Å; P63-Y101 HydrophobicContact CG-CE1 4.37Å; P63-Y101 HydrophobicContact CG-CE2 4.18Å; P63-Y101 HydrophobicContact CG-CG 4.1Å; C97-Y101 VanDerWaalsContact O-CD2 3.3Å; C97-Y101 WeakPolarHBondContact O-CD2 3.39Å; M98-Y101 CarbonylContact O-C 3.35Å; M98-Y101 PolarHBondContact O-N 3.03Å; Q99-Y101 VanDerWaalsContact C-N 3.27Å; Q99-Y101 PolarHBondContact O-N 3.28Å; Y101-D103 PolarHBondContact O-N 3.24Å; Y101-L104 PolarHBondContact O-N 3.49Å; Y101-L104 VanDerWaalsContact O-N 3.11Å; Y101-Y105 PolarHBondContact O-N 2.94Å
102P90.7Very high82.9Confident73 Ų73109.4 Ų109.447%0.47453%0.526SS..THydrogen-bonded Turntrans-63.3-27.5-174.726.9-35.9000113.8R100 L104 Y105R100-P102 VanDerWaalsContact C-CD 3.42Å; R100-P102 WeakPolarHBondContact O-CD 3.24Å; P102-L104 VanDerWaalsContact C-N 3.29Å; P102-L104 PolarHBondContact O-N 3.34Å; P102-Y105 CarbonylContact O-C 3.41Å
103D89.9Confident80.1Confident158 Ų158107.8 Ų107.885%0.84553%0.534SS*.THydrogen-bonded Turntrans-70.2-26.3177.9-61.9-39.6000112.9Y101Y101-D103 PolarHBondContact O-N 3.24Å
104L88.1Confident77.7Confident114 Ų114110.6 Ų110.660%0.59755%0.553SS**THydrogen-bonded Turntrans-98.9-28.2179.2-64177.4000112.1P63 Y101 P102P63-L104 HydrophobicContact CG-CD1 3.98Å; Y101-L104 PolarHBondContact O-N 3.49Å; Y101-L104 VanDerWaalsContact O-N 3.11Å; P102-L104 VanDerWaalsContact C-N 3.29Å; P102-L104 PolarHBondContact O-N 3.34Å
105Y89.3Confident75.1Confident33 Ų33115.7 Ų115.713%0.12959%0.588CS.*SBendtrans-127.282.7179.1-54.7-69.3000109.5P63 C64 M98 Y101 P102 Q107P63-Y105 HydrophobicContact CG-CE2 4.07Å; C64-Y105 HydrophobicContact CB-CE2 4.23Å; M98-Y105 HydrophobicContact CB-CD2 3.98Å; M98-Y105 HydrophobicContact CB-CG 4.03Å; M98-Y105 HydrophobicContact CE-CD1 3.32Å; M98-Y105 HydrophobicContact CE-CE1 3.86Å; M98-Y105 HydrophobicContact CE-CG 3.71Å; M98-Y105 HydrophobicContact CG-CD1 4.35Å; M98-Y105 HydrophobicContact CG-CD2 3.98Å; M98-Y105 HydrophobicContact CG-CE2 4.27Å; M98-Y105 HydrophobicContact CG-CG 4.01Å; Y101-Y105 PolarHBondContact O-N 2.94Å; P102-Y105 CarbonylContact O-C 3.41Å; Y105-Q107 PolarHBondContact O-N 2.79Å
106P86.9Confident72.9Confident107 Ų107119.6 Ų119.670%0.69561%0.607SS**  trans-58.7125.2176.5-18.830.6000109.3
107Q79.9Confident70.2Confident74 Ų74118.8 Ų118.835%0.34662%0.616SS.*  trans-77.3131.3169.6-59.3-63.5-34.700107.1Y105 E109Y105-Q107 PolarHBondContact O-N 2.79Å; Q107-E109 HydrophobicContact CB-CG 4.22Å; Q107-E109 PolarHBondContact O-N 3.03Å
108E67Low67.8Low199 Ų199126.7 Ų126.793%0.9365%0.651SS**  trans-71.713.4179.3-58.6-170.6131.500113.1D110E108-D110 PolarHBondContact O-N 2.76Å
109E62.6Low65.1Low163 Ų163131.3 Ų131.376%0.76269%0.686SS**  trans-82.5109.7-179-51.4-177129.500108.7Q107Q107-E109 HydrophobicContact CB-CG 4.22Å; Q107-E109 PolarHBondContact O-N 3.03Å
110D53Low62.3Low154 Ų154130.2 Ų130.282%0.82471%0.705SS**SBendtrans88.770.4171.9-147.6-96.9000117.3E108E108-D110 PolarHBondContact O-N 2.76Å
111K47.4Very low59.4Low196 Ų196125.8 Ų125.885%0.85271%0.71SS**  trans-141.398.6146.4-79.7-165.8177.4168.90112S113K111-S113 PolarHBondContact O-N 2.84Å
112E49.7Very low56.6Low193 Ų193125.5 Ų125.590%0.90273%0.729SS**  trans-63114.6156.4179.6156.860.500109.4
113S36.3Very low54Low96 Ų96128 Ų12867%0.67175%0.746SS**SBendtrans83.4140168.5-55.60000120.2K111K111-S113 PolarHBondContact O-N 2.84Å
114P43.7Very low51.5Low115 Ų115125.1 Ų125.175%0.74774%0.743SS**  trans-91.8161.3-160.238-35000113.8
115P38.7Very low48.9Very low128 Ų128124.5 Ų124.583%0.83176%0.755SS**  -122.4132.2115.833.2-27.2000110.9
116Q48.6Very low46.5Very low190 Ų190131.9 Ų131.989%0.88879%0.79SS**  trans-59.3130.6166.8-70.8177.3-58.600110.4
117A37.7Very low44Very low78 Ų78130.3 Ų130.365%0.64579%0.793SS**  trans-156.1105.4142.900000108.5
118E43.4Very low41.9Very low183 Ų183132.2 Ų132.286%0.85582%0.815SS**  trans26.8102.9152.545.7-111.45200121.8
119S35.1Very low40.4Very low127 Ų127127 Ų12789%0.88881%0.806SS**  -143.4112.5127.8-171.10000107.9G121S119-G121 PolarHBondContact O-N 3.06Å
120G35.3Very low39.5Very low88 Ų88127 Ų12791%0.90781%0.811SS**  trans-70.5111-168.600000113.1
121G32.3Very low38.7Very low71 Ų71127.2 Ų127.273%0.73281%0.811SS**PPolyproline II helixtrans-102.1126.9153.800000109S119S119-G121 PolarHBondContact O-N 3.06Å
122A33.5Very low38.4Very low96 Ų96123.7 Ų123.779%0.79381%0.811SS**PPolyproline II helixtrans-58.3146.5176.200000111.7A124A122-A124 PolarHBondContact O-N 2.79Å
123P36.7Very low38Very low126 Ų126123 Ų12382%0.81881%0.808SS**PPolyproline II helixtrans-71.5125.1175.229.7-30.7000109.3A125P123-A125 PolarHBondContact O-N 2.81Å
124A36.2Very low37.9Very low97 Ų97125.6 Ų125.680%0.80281%0.814SS**PPolyproline II helixtrans-60.8131.2166.600000109A122 E126A122-A124 PolarHBondContact O-N 2.79Å; A124-E126 PolarHBondContact O-N 2.65Å
125A34.2Very low37.5Very low101 Ų101125.8 Ų125.884%0.83581%0.809SS**PPolyproline II helixtrans-57122.218000000111.6P123 G127P123-A125 PolarHBondContact O-N 2.81Å; A125-G127 PolarHBondContact O-N 3.04Å; A125-G127 VanDerWaalsContact O-N 3.11Å
126E39Very low37.4Very low188 Ų188125.3 Ų125.388%0.87981%0.809SS**  trans-72.394159-69.7-15887.400109A124A124-E126 PolarHBondContact O-N 2.65Å
127G33.9Very low37.1Very low73 Ų73120.8 Ų120.875%0.75380%0.796SS**  trans-94.171.6164.600000110.6A125 A129A125-G127 PolarHBondContact O-N 3.04Å; A125-G127 VanDerWaalsContact O-N 3.11Å; G127-A129 VanDerWaalsContact C-N 3.29Å; G127-A129 PolarHBondContact O-N 2.93Å
128S36.6Very low37.1Very low114 Ų114123.2 Ų123.280%0.79781%0.808SS**  trans-72.985.8165.7-890000109.5
129A34Very low36.8Very low91 Ų91121 Ų12175%0.75281%0.806SS**  trans-90109.5161.500000108.6G127 L131G127-A129 VanDerWaalsContact C-N 3.29Å; G127-A129 PolarHBondContact O-N 2.93Å; A129-L131 PolarHBondContact O-N 3.23Å
130L43.8Very low36.8Very low163 Ų163119.5 Ų119.585%0.85380%0.802SS**  trans-59.7115.6169.8-69.5162000110.4
131L36.5Very low37.2Very low157 Ų157121 Ų12182%0.82280%0.799SS**  trans-138.591.5155.8-76.6169.1000107.8A129A129-L131 PolarHBondContact O-N 3.23Å
132S41.2Very low37.8Very low123 Ų123123.2 Ų123.286%0.8680%0.8SS**  trans-95.897.7163.9-84.30000109.2
133E41.1Very low37.9Very low178 Ų178126.6 Ų126.683%0.83280%0.804SS**  trans-138.6124.2153.4-87.1154.574.700102.8
134N35.2Very low38.2Very low151 Ų151125.6 Ų125.681%0.80780%0.801SS**  -170.1143.252-163.632.6000111.1
135D35.1Very low38.7Very low119 Ų119125.8 Ų125.864%0.63680%0.802SS**  trans35.6121.3138.8-156.5-108.3000121.5
136S35.7Very low39.1Very low118 Ų118126.8 Ų126.883%0.82580%0.803SS**  trans-142.6132.2137.5-87.50000110.8
137P43.7Very low39.4Very low95 Ų95122.1 Ų122.162%0.61780%0.797SS**  trans-86.3128.1-178.233.3-30.8000110.4V139P137-V139 HydrophobicContact CB-CG1 4.49Å
138S36.6Very low39.9Very low129 Ų129123.3 Ų123.390%0.90280%0.799SS**  trans-102.6105.8155.4-94.50000108.2
139V37.6Very low40Very low136 Ų136126.3 Ų126.382%0.82481%0.806SS**  trans-98.3115.2164.9-39.70000107.4P137P137-V139 HydrophobicContact CB-CG1 4.49Å
140A35.2Very low40.3Very low96 Ų96129 Ų12979%0.79384%0.843SS**  trans-162.687.6153.500000108.7
141S43.3Very low40.2Very low120 Ų120127.3 Ų127.384%0.83984%0.842SS**  trans40.2145150.2-59.10000123.8
142P44.7Very low40.3Very low117 Ų117125.7 Ų125.776%0.7684%0.843SS**  trans-91.5151.9-177.338-32.4000112.1
143D35.5Very low40.3Very low166 Ų166125.8 Ų125.889%0.88884%0.842SS**  trans-115.9138154.7-144.4-62.1000110
144S42.4Very low40.3Very low105 Ų105122.8 Ų122.873%0.73484%0.843SS**  trans-83.1156-162.9-74.10000112.3
145A47Very low40.6Very low102 Ų102121 Ų12184%0.84385%0.845SS**  trans-58.8144.5168.700000112.8
146S42.5Very low40.9Very low122 Ų122121.1 Ų121.185%0.85386%0.859SS**  trans-149.8132.7137.6-165.90000110.7
147A46.3Very low41.3Very low90 Ų90121.4 Ų121.474%0.74486%0.862SS**  trans-85.9164.9168.900000111.5
148A43.7Very low41.1Very low97 Ų97123.4 Ų123.480%0.80288%0.88SS**  trans95.2134.1149.300000121.4
149D39.2Very low41.5Very low177 Ų177122.9 Ų122.995%0.94788%0.879SS**  trans92.1120.6143-140.4-109.1000120.3
150G40.7Very low41.9Very low147 Ų147121.7 Ų121.7100%1.51588%0.883SS**  trans149.10171.500000114.4

Retrieved 150 of 150 residues in 262.2 ms (Link to these results)