A0A5K4F2W9_SCHMA Loading...

Dynein light intermediate chain AlphaSync

Acts as one of several non-catalytic accessory components of the cytoplasmic dynein 1 complex that are thought to be involved in linking dynein to cargos and to adapter proteins that regulate dynein function. Cytoplasmic dynein 1 acts as a motor for the intracellular retrograde motility of vesicles and organelles along microtubules. May play a role in binding dynein to membranous organelles or chromosomes.

AlphaFold DB , UniProt , Accession A0A5K4F2W9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 487 aa.

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

 

Download Structure   AlphaSync Parameters   PDB   PAE   Table  
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
1M41.7Very low47.1Very low235 Ų235133.8 Ų133.8100%1.15872%0.72SS**  0124.70-65.1170.4-179.800106
2Y38.2Very low47.9Very low225 Ų225130 Ų13088%0.88271%0.705SS**  trans-137173.5-179.1-73.4-75.9000108
3E40.8Very low48.8Very low187 Ų187128.1 Ų128.187%0.87469%0.686SS**  trans7493.4-175.7-51.9-173.9142.400115.5
4T46.2Very low50Low140 Ų140128.9 Ų128.986%0.85968%0.681SS**  trans-161.9-3.6157.4-4.30000115.1
5T47.2Very low51.8Low138 Ų138130.9 Ų130.985%0.84768%0.677SS**SBendtrans-102.6-3.9-164.340.70000116.9
6S48.4Very low53.6Low95 Ų95129.5 Ų129.566%0.66467%0.67SS**SBendtrans-85.1-24.6-170.548.20000116.2
7N49.2Very low55Low124 Ų124132.1 Ų132.166%0.66367%0.669SS**SBendtrans-76.4-29.3-170.4-84.4-0.3000114.9E9 A10 E11N7-E9 VanDerWaalsContact C-N 3.31Å; N7-E9 PolarHBondContact O-N 3.47Å; N7-A10 WeakPolarHBondContact O-CB 3.33Å; N7-A10 PolarHBondContact O-N 3.3Å; N7-E11 PolarHBondContact O-N 2.84Å
8G49.2Very low56.4Low48 Ų48127.7 Ų127.750%0.49565%0.652SS.*Hα-helixtrans-63.4-32.7-174.700000114.2A10 T12G8-A10 VanDerWaalsContact C-N 3.34Å; G8-T12 PolarHBondContact O-N 3.26Å; G8-T12 PolarHBondContact O-OG1 3.38Å
9E49.6Very low57.6Low121 Ų121124.7 Ų124.757%0.56564%0.644SS**Hα-helixtrans-70.2-28.5174.6-76-164.1-153.200113.4N7 T12 K13N7-E9 VanDerWaalsContact C-N 3.31Å; N7-E9 PolarHBondContact O-N 3.47Å; E9-T12 WeakPolarHBondContact CA-OG1 3.48Å; E9-T12 PolarHBondContact O-OG1 3.06Å; E9-K13 WeakPolarHBondContact O-CB 3.37Å; E9-K13 VanDerWaalsContact O-CD 3.22Å; E9-K13 WeakPolarHBondContact O-CD 3.32Å; E9-K13 WeakPolarHBondContact O-CG 3.44Å; E9-K13 PolarHBondContact O-N 3.46Å; E9-K13 VanDerWaalsContact O-N 3.16Å; E9-K13 IonicContact OE2-NZ 2.63Å; E9-K13 PolarHBondContact OE2-NZ 2.98Å
10A52Low58.5Low48 Ų48122 Ų12240%0.39763%0.63SS.*Hα-helixtrans-73.9-35.4-178.400000111.8N7 G8 K14N7-A10 WeakPolarHBondContact O-CB 3.33Å; N7-A10 PolarHBondContact O-N 3.3Å; G8-A10 VanDerWaalsContact C-N 3.34Å; A10-K14 WeakPolarHBondContact O-CG 3.34Å; A10-K14 PolarHBondContact O-N 3.36Å
11E55.1Low59.2Low111 Ų111121.2 Ų121.252%0.51963%0.627SS.*Hα-helixtrans-77.9-45.4177.3-62.9-167.8158.200111.9N7 K13 K14 Y15N7-E11 PolarHBondContact O-N 2.84Å; E11-K13 VanDerWaalsContact C-N 3.27Å; E11-K13 PolarHBondContact O-N 3.4Å; E11-K14 WeakPolarHBondContact O-CA 3.22Å; E11-K14 WeakPolarHBondContact O-CB 3.15Å; E11-K14 PolarHBondContact O-N 3Å; E11-Y15 HydrophobicContact CB-CD2 4.49Å; E11-Y15 HydrophobicContact CB-CE2 4.14Å; E11-Y15 WeakPolarHBondContact O-CD2 3.09Å; E11-Y15 PolarHBondContact O-N 3.24Å
12T56.7Low60.9Low88 Ų88114.5 Ų114.554%0.5460%0.595SS.*Hα-helixtrans-58.3-37.7174.846.10000112.6G8 E9 Y15 L16G8-T12 PolarHBondContact O-N 3.26Å; G8-T12 PolarHBondContact O-OG1 3.38Å; E9-T12 WeakPolarHBondContact CA-OG1 3.48Å; E9-T12 PolarHBondContact O-OG1 3.06Å; T12-Y15 PolarHBondContact O-N 2.81Å; T12-L16 PolarHBondContact O-N 3.19Å
13K60.1Low62.6Low105 Ų105108 Ų10846%0.45757%0.573SS.*Hα-helixtrans-65.8-38.4171.8-71.7165.4-164.2166.10112.4E9 E11 L16 W17E9-K13 WeakPolarHBondContact O-CB 3.37Å; E9-K13 VanDerWaalsContact O-CD 3.22Å; E9-K13 WeakPolarHBondContact O-CD 3.32Å; E9-K13 WeakPolarHBondContact O-CG 3.44Å; E9-K13 PolarHBondContact O-N 3.46Å; E9-K13 VanDerWaalsContact O-N 3.16Å; E9-K13 IonicContact OE2-NZ 2.63Å; E9-K13 PolarHBondContact OE2-NZ 2.98Å; E11-K13 VanDerWaalsContact C-N 3.27Å; E11-K13 PolarHBondContact O-N 3.4Å; K13-L16 PolarHBondContact O-N 2.92Å; K13-W17 PolarHBondContact O-N 3.26Å
14K65.8Low63.8Low140 Ų140103.3 Ų103.361%0.60956%0.557SS**Hα-helixtrans-62.2-44.8173.1-73.6168-177.2175.10111.9A10 E11 L16 W17 S18A10-K14 WeakPolarHBondContact O-CG 3.34Å; A10-K14 PolarHBondContact O-N 3.36Å; E11-K14 WeakPolarHBondContact O-CA 3.22Å; E11-K14 WeakPolarHBondContact O-CB 3.15Å; E11-K14 PolarHBondContact O-N 3Å; K14-L16 VanDerWaalsContact C-N 3.32Å; K14-L16 PolarHBondContact O-N 3.29Å; K14-W17 PolarHBondContact O-N 3.16Å; K14-S18 PolarHBondContact O-N 2.63Å; K14-S18 PolarHBondContact O-OG 3.27Å
15Y76.8Confident64.8Low159 Ų15999.5 Ų99.562%0.62453%0.534SS*.Hα-helixtrans-64.8-34.3176.6-67.4-61.8000112.7E11 T12 S18 S19E11-Y15 HydrophobicContact CB-CD2 4.49Å; E11-Y15 HydrophobicContact CB-CE2 4.14Å; E11-Y15 WeakPolarHBondContact O-CD2 3.09Å; E11-Y15 PolarHBondContact O-N 3.24Å; T12-Y15 PolarHBondContact O-N 2.81Å; Y15-S18 WeakPolarHBondContact CA-OG 3.45Å; Y15-S18 PolarHBondContact O-OG 3.46Å; Y15-S18 VanDerWaalsContact O-OG 3.13Å; Y15-S19 WeakPolarHBondContact O-CB 3.49Å; Y15-S19 PolarHBondContact O-N 3.35Å
16L80.1Confident65.4Low108 Ų10896.4 Ų96.457%0.56551%0.512SS*.Hα-helixtrans-65.4-46.1172.4-166.180000111.4T12 K13 K14 S19 L20T12-L16 PolarHBondContact O-N 3.19Å; K13-L16 PolarHBondContact O-N 2.92Å; K14-L16 VanDerWaalsContact C-N 3.32Å; K14-L16 PolarHBondContact O-N 3.29Å; L16-S19 PolarHBondContact O-N 3.14Å; L16-L20 HydrophobicContact CD2-CD1 4.44Å; L16-L20 HydrophobicContact CG-CD1 4.14Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 WeakPolarHBondContact O-CG 3.24Å; L16-L20 PolarHBondContact O-N 2.77Å
17W77.8Confident65.8Low174 Ų17497.6 Ų97.666%0.65951%0.505SS*.Hα-helixtrans-66.7-38177.4-73.8117.4000112.9K13 K14 L20 L21K13-W17 PolarHBondContact O-N 3.26Å; K14-W17 PolarHBondContact O-N 3.16Å; W17-L20 HydrophobicContact CE3-CD1 4.44Å; W17-L21 WeakPolarHBondContact O-CB 3.46Å; W17-L21 VanDerWaalsContact O-CG 3.25Å; W17-L21 WeakPolarHBondContact O-CG 3.29Å; W17-L21 PolarHBondContact O-N 2.98Å
18S80.1Confident65.9Low52 Ų5295.4 Ų95.436%0.36450%0.504SS..Hα-helixtrans-67.7-42.2173.866.60000111.2K14 Y15 L20 L21 D22K14-S18 PolarHBondContact O-N 2.63Å; K14-S18 PolarHBondContact O-OG 3.27Å; Y15-S18 WeakPolarHBondContact CA-OG 3.45Å; Y15-S18 PolarHBondContact O-OG 3.46Å; Y15-S18 VanDerWaalsContact O-OG 3.13Å; S18-L20 PolarHBondContact O-N 3.06Å; S18-L21 CarbonylContact O-C 3.58Å; S18-L21 PolarHBondContact O-N 2.98Å; S18-D22 WeakPolarHBondContact O-CB 3.25Å; S18-D22 PolarHBondContact O-N 3.29Å
19S78.9Confident65.9Low71 Ų71100.2 Ų100.250%0.49751%0.511SS..Hα-helixtrans-62.2-40.1175.4-171.90000112.4Y15 L16 D22 E23Y15-S19 WeakPolarHBondContact O-CB 3.49Å; Y15-S19 PolarHBondContact O-N 3.35Å; L16-S19 PolarHBondContact O-N 3.14Å; S19-D22 PolarHBondContact O-N 2.76Å; S19-E23 WeakPolarHBondContact O-CB 3.34Å; S19-E23 PolarHBondContact O-N 2.76Å
20L76.1Confident65.9Low70 Ų7099.1 Ų99.137%0.36651%0.508SS..Hα-helixtrans-69.6-34.3174.1-75.1167.4000112.7L16 W17 S18 E23 V24L16-L20 HydrophobicContact CD2-CD1 4.44Å; L16-L20 HydrophobicContact CG-CD1 4.14Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 WeakPolarHBondContact O-CG 3.24Å; L16-L20 PolarHBondContact O-N 2.77Å; W17-L20 HydrophobicContact CE3-CD1 4.44Å; S18-L20 PolarHBondContact O-N 3.06Å; L20-E23 PolarHBondContact O-N 2.79Å; L20-V24 VanDerWaalsContact O-CB 3.29Å; L20-V24 WeakPolarHBondContact O-CB 3.41Å; L20-V24 WeakPolarHBondContact O-CG2 3.34Å; L20-V24 PolarHBondContact O-N 3.2Å
21L74.1Confident65.9Low106 Ų10697.8 Ų97.856%0.55550%0.5SS*.Hα-helixtrans-73.3-34.1173.5-74.4169.6000112W17 S18 T25W17-L21 WeakPolarHBondContact O-CB 3.46Å; W17-L21 VanDerWaalsContact O-CG 3.25Å; W17-L21 WeakPolarHBondContact O-CG 3.29Å; W17-L21 PolarHBondContact O-N 2.98Å; S18-L21 CarbonylContact O-C 3.58Å; S18-L21 PolarHBondContact O-N 2.98Å; L21-T25 VanDerWaalsContact O-CB 3.29Å; L21-T25 WeakPolarHBondContact O-CB 3.44Å; L21-T25 VanDerWaalsContact O-CG2 3.24Å; L21-T25 WeakPolarHBondContact O-CG2 3.39Å; L21-T25 PolarHBondContact O-N 3.22Å; L21-T25 PolarHBondContact O-OG1 2.72Å
22D75.9Confident66.1Low94 Ų9493.4 Ų93.450%0.50348%0.48SS..Hα-helixtrans-68-39.1169.9-74.7-29.4000110.4S18 S19 T25 N26S18-D22 WeakPolarHBondContact O-CB 3.25Å; S18-D22 PolarHBondContact O-N 3.29Å; S19-D22 PolarHBondContact O-N 2.76Å; D22-T25 PolarHBondContact O-OG1 2.91Å; D22-N26 WeakPolarHBondContact O-CA 3.43Å; D22-N26 WeakPolarHBondContact O-CB 3.49Å; D22-N26 PolarHBondContact O-N 2.88Å; D22-N26 PolarHBondContact O-ND2 3.44Å
23E73.9Confident66.4Low89 Ų8991.6 Ų91.642%0.41647%0.47SS..Hα-helixtrans-66.5-41.1173.4-161.5-162138.700111.9S19 L20 K27S19-E23 WeakPolarHBondContact O-CB 3.34Å; S19-E23 PolarHBondContact O-N 2.76Å; L20-E23 PolarHBondContact O-N 2.79Å; E23-K27 HydrophobicContact CG-CD 4.46Å; E23-K27 VanDerWaalsContact O-CB 3.27Å; E23-K27 WeakPolarHBondContact O-CB 3.18Å; E23-K27 VanDerWaalsContact O-CG 3.29Å; E23-K27 WeakPolarHBondContact O-CG 3.32Å; E23-K27 PolarHBondContact O-N 2.97Å; E23-K27 WeakPolarHBondContact OE1-CE 3.48Å; E23-K27 IonicContact OE1-NZ 2.62Å; E23-K27 PolarHBondContact OE1-NZ 3.4Å
24V66.2Low66.5Low89 Ų8991 Ų9154%0.53947%0.472SS..Hα-helixtrans-73-39.5178.5167.70000111.9L20 K27 A28L20-V24 VanDerWaalsContact O-CB 3.29Å; L20-V24 WeakPolarHBondContact O-CB 3.41Å; L20-V24 WeakPolarHBondContact O-CG2 3.34Å; L20-V24 PolarHBondContact O-N 3.2Å; V24-K27 PolarHBondContact O-N 2.9Å; V24-A28 PolarHBondContact O-N 3.45Å
25T67.4Low66.7Low60 Ų6087 Ų8737%0.36846%0.462SS..Hα-helixtrans-73.6-32.2174.158.10000111.9L21 D22 A28 K29L21-T25 VanDerWaalsContact O-CB 3.29Å; L21-T25 WeakPolarHBondContact O-CB 3.44Å; L21-T25 VanDerWaalsContact O-CG2 3.24Å; L21-T25 WeakPolarHBondContact O-CG2 3.39Å; L21-T25 PolarHBondContact O-N 3.22Å; L21-T25 PolarHBondContact O-OG1 2.72Å; D22-T25 PolarHBondContact O-OG1 2.91Å; T25-A28 WeakPolarHBondContact O-CB 3.21Å; T25-A28 PolarHBondContact O-N 3.49Å; T25-K29 VanDerWaalsContact O-CG 3.3Å; T25-K29 WeakPolarHBondContact O-CG 3.42Å; T25-K29 PolarHBondContact O-N 3.4Å
26N60.1Low67.1Low73 Ų7380.7 Ų80.739%0.3944%0.438SS..Hα-helixtrans-71-31.9168.7-67.6-28000111.4D22 K29 I30D22-N26 WeakPolarHBondContact O-CA 3.43Å; D22-N26 WeakPolarHBondContact O-CB 3.49Å; D22-N26 PolarHBondContact O-N 2.88Å; D22-N26 PolarHBondContact O-ND2 3.44Å; N26-K29 CarbonylContact O-C 3.59Å; N26-K29 WeakPolarHBondContact O-CA 3.49Å; N26-K29 PolarHBondContact O-N 3.17Å; N26-K29 VanDerWaalsContact O-N 3.16Å; N26-K29 PolarHBondContact OD1-NZ 3.29Å; N26-I30 WeakPolarHBondContact O-CB 3.31Å; N26-I30 WeakPolarHBondContact O-CD1 3.21Å; N26-I30 WeakPolarHBondContact O-CG1 3.47Å; N26-I30 PolarHBondContact O-N 3.12Å
27K56.6Low67.5Low120 Ų12076.5 Ų76.552%0.52242%0.416SS..Hα-helixtrans-64.9-36.5167.8-83.4169.9170.1170.30112.4E23 V24 K29 I30 G31E23-K27 HydrophobicContact CG-CD 4.46Å; E23-K27 VanDerWaalsContact O-CB 3.27Å; E23-K27 WeakPolarHBondContact O-CB 3.18Å; E23-K27 VanDerWaalsContact O-CG 3.29Å; E23-K27 WeakPolarHBondContact O-CG 3.32Å; E23-K27 PolarHBondContact O-N 2.97Å; E23-K27 WeakPolarHBondContact OE1-CE 3.48Å; E23-K27 IonicContact OE1-NZ 2.62Å; E23-K27 PolarHBondContact OE1-NZ 3.4Å; V24-K27 PolarHBondContact O-N 2.9Å; K27-K29 VanDerWaalsContact C-N 3.34Å; K27-I30 HydrophobicContact CG-CD1 4.42Å; K27-I30 PolarHBondContact O-N 3.29Å; K27-G31 PolarHBondContact O-N 3.47Å; K27-G31 VanDerWaalsContact O-N 3.14Å
28A50.5Low68.1Low77 Ų7768.3 Ų68.364%0.63639%0.385SS*.Hα-helixtrans-65.1-34.9169.500000112.6V24 T25 G31V24-A28 PolarHBondContact O-N 3.45Å; T25-A28 WeakPolarHBondContact O-CB 3.21Å; T25-A28 PolarHBondContact O-N 3.49Å; A28-G31 PolarHBondContact O-N 3.13Å
29K51.2Low68.7Low149 Ų14965.9 Ų65.965%0.64837%0.368SS*.Hα-helixtrans-79.5-10.1171-62.4167.3-163.1159.20114.7T25 N26 K27 G31T25-K29 VanDerWaalsContact O-CG 3.3Å; T25-K29 WeakPolarHBondContact O-CG 3.42Å; T25-K29 PolarHBondContact O-N 3.4Å; N26-K29 CarbonylContact O-C 3.59Å; N26-K29 WeakPolarHBondContact O-CA 3.49Å; N26-K29 PolarHBondContact O-N 3.17Å; N26-K29 VanDerWaalsContact O-N 3.16Å; N26-K29 PolarHBondContact OD1-NZ 3.29Å; K27-K29 VanDerWaalsContact C-N 3.34Å; K29-G31 CarbonylContact C-O 3.57Å; K29-G31 VanDerWaalsContact C-O 3.26Å; K29-G31 VanDerWaalsContact O-O 3.08Å
30I48.6Very low69.3Low98 Ų9862.5 Ų62.550%0.50335%0.345SS..Hα-helixtrans-85.5-19.8169-73.9159.7000109.8N26 K27 K79N26-I30 WeakPolarHBondContact O-CB 3.31Å; N26-I30 WeakPolarHBondContact O-CD1 3.21Å; N26-I30 WeakPolarHBondContact O-CG1 3.47Å; N26-I30 PolarHBondContact O-N 3.12Å; K27-I30 HydrophobicContact CG-CD1 4.42Å; K27-I30 PolarHBondContact O-N 3.29Å; I30-K79 HydrophobicContact CG2-CD 4.2Å
31G52Low70Confident21 Ų2159.2 Ų59.222%0.21633%0.327CS..SBendtrans-54.1135.9147.900000109.9K27 A28 K29 S33K27-G31 PolarHBondContact O-N 3.47Å; K27-G31 VanDerWaalsContact O-N 3.14Å; A28-G31 PolarHBondContact O-N 3.13Å; K29-G31 CarbonylContact C-O 3.57Å; K29-G31 VanDerWaalsContact C-O 3.26Å; K29-G31 VanDerWaalsContact O-O 3.08Å; G31-S33 PolarHBondContact O-N 2.95Å
32L58.9Low70.7Confident18 Ų1854.2 Ų54.29%0.09430%0.301CS..PPolyproline II helixtrans-59.8126.7-179.1-58.1175.3000109.6D34 D76 V81 A83 Y290 F292L32-D34 PolarHBondContact O-N 3.39Å; L32-D76 HydrophobicContact CD1-CB 4.11Å; L32-V81 HydrophobicContact CB-CG1 4.33Å; L32-V81 HydrophobicContact CD1-CG1 4.28Å; L32-V81 HydrophobicContact CG-CG1 4.04Å; L32-A83 HydrophobicContact CB-CB 3.4Å; L32-A83 HydrophobicContact CD1-CB 3.85Å; L32-A83 HydrophobicContact CG-CB 4.3Å; L32-Y290 HydrophobicContact CB-CD1 3.89Å; L32-Y290 HydrophobicContact CB-CE1 3.87Å; L32-Y290 HydrophobicContact CD2-CD1 3.78Å; L32-Y290 HydrophobicContact CD2-CG 4.23Å; L32-Y290 HydrophobicContact CG-CD1 4.27Å; L32-F292 HydrophobicContact CD1-CZ 3.92Å; L32-F292 HydrophobicContact CD2-CE1 3.99Å; L32-F292 HydrophobicContact CD2-CZ 3.6Å; L32-F292 HydrophobicContact CG-CZ 4.41Å
33S62.9Low71.3Confident50 Ų5051.5 Ų51.535%0.3529%0.286SS..PPolyproline II helixtrans-75.2125.8-179.669.50000112G31 S35 K36G31-S33 PolarHBondContact O-N 2.95Å; S33-S35 WeakPolarHBondContact CB-OG 3.42Å; S33-S35 PolarHBondContact O-N 3.36Å; S33-S35 VanDerWaalsContact O-N 3.17Å; S33-S35 PolarHBondContact OG-OG 3.28Å; S33-K36 WeakPolarHBondContact OG-CE 3.06Å
34D63.3Low71.8Confident92 Ų9250.9 Ų50.949%0.49229%0.286SS..THydrogen-bonded Turntrans-70.72.9174.8-67.8-52.9000113.6L32 K36 A83 N84L32-D34 PolarHBondContact O-N 3.39Å; D34-K36 PolarHBondContact O-N 3.03Å; D34-A83 WeakPolarHBondContact OD1-CA 3.29Å; D34-N84 PolarHBondContact OD1-N 3.08Å; D34-N84 PolarHBondContact OD1-ND2 3.13Å
35S70Confident72.7Confident56 Ų5653.5 Ų53.539%0.39230%0.296SS..THydrogen-bonded Turntrans-74.4-1.4-176.149.70000115S33 N37 D111S33-S35 WeakPolarHBondContact CB-OG 3.42Å; S33-S35 PolarHBondContact O-N 3.36Å; S33-S35 VanDerWaalsContact O-N 3.17Å; S33-S35 PolarHBondContact OG-OG 3.28Å; S35-N37 PolarHBondContact O-ND2 2.9Å; S35-D111 WeakPolarHBondContact CB-OD2 3.32Å; S35-D111 PolarHBondContact OG-OD2 3.15Å
36K84.6Confident73.5Confident28 Ų2850.9 Ų50.912%0.12228%0.281CS..  trans-99.1137.5-159.2-55.7-174-168-176.60112.6S33 D34 L85 S86 D111 I289 Y290S33-K36 WeakPolarHBondContact OG-CE 3.06Å; D34-K36 PolarHBondContact O-N 3.03Å; K36-L85 HydrophobicContact CB-CD1 4.36Å; K36-S86 PolarHBondContact O-N 3.23Å; K36-S86 VanDerWaalsContact O-N 3.13Å; K36-D111 WeakPolarHBondContact CA-O 3.36Å; K36-D111 HydrophobicContact CG-CB 4.1Å; K36-I289 HydrophobicContact CB-CG2 3.8Å; K36-I289 HydrophobicContact CD-CG2 3.29Å; K36-I289 WeakPolarHBondContact CD-O 3.3Å; K36-I289 HydrophobicContact CG-CG2 4.15Å; K36-I289 PolarHBondContact NZ-O 2.87Å; K36-Y290 HydrophobicContact CD-CD1 4.06Å; K36-Y290 HydrophobicContact CD-CE1 3.75Å
37N89Confident74.7Confident20 Ų2048.2 Ų48.211%0.10727%0.27CS..EExtended strand (participates in β ladder)trans-129.5119.5-165.5-59.3-62.2000111.6S35 S86 F88 D111 Q112 M113S35-N37 PolarHBondContact O-ND2 2.9Å; N37-S86 CarbonylContact C-O 3.57Å; N37-S86 WeakPolarHBondContact CA-O 3.35Å; N37-S86 VanDerWaalsContact OD1-CB 3.3Å; N37-S86 WeakPolarHBondContact OD1-CB 3.29Å; N37-F88 HydrophobicContact CB-CD2 4.42Å; N37-F88 HydrophobicContact CB-CE2 4.2Å; N37-F88 WeakPolarHBondContact OD1-CE2 3.24Å; N37-D111 PolarHBondContact N-O 2.79Å; N37-Q112 HydrophobicContact CB-CG 3.86Å; N37-Q112 CarbonylContact O-C 3.54Å; N37-Q112 VanDerWaalsContact O-CA 3.31Å; N37-Q112 WeakPolarHBondContact O-CA 3.48Å; N37-M113 PolarHBondContact O-N 3.29Å
38L90.9Very high76.2Confident1 Ų143.1 Ų43.11%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-98.4117.5172.5-179.666.7000109.7V40 L85 S86 V87 F88 M113 L115 I285L38-V40 HydrophobicContact CG-CG2 4.33Å; L38-L85 HydrophobicContact CB-CD1 4.14Å; L38-L85 HydrophobicContact CB-CD2 4.37Å; L38-L85 HydrophobicContact CB-CG 4.36Å; L38-L85 HydrophobicContact CD2-CD2 4.38Å; L38-S86 PolarHBondContact N-O 3.41Å; L38-V87 HydrophobicContact CB-CG2 4.29Å; L38-V87 HydrophobicContact CD2-CG1 4.29Å; L38-V87 HydrophobicContact CD2-CG2 4.26Å; L38-V87 CarbonylContact O-C 3.49Å; L38-V87 WeakPolarHBondContact O-CA 3.28Å; L38-F88 PolarHBondContact O-N 3.32Å; L38-M113 HydrophobicContact CD1-CB 3.91Å; L38-M113 HydrophobicContact CD1-CG 3.85Å; L38-M113 HydrophobicContact CD1-SD 4.18Å; L38-L115 HydrophobicContact CD1-CB 4Å; L38-L115 HydrophobicContact CD2-CD2 4.43Å; L38-I285 HydrophobicContact CD2-CD1 4.05Å; L38-I285 HydrophobicContact CD2-CG2 4.41Å
39V90.9Very high77.9Confident2 Ų240.5 Ų40.51%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-103.3119.4-179.5-1670000109.7F41 I90 L100 V103 M113 A114 L115V39-F41 HydrophobicContact CB-CE2 3.78Å; V39-F41 HydrophobicContact CB-CZ 4.34Å; V39-F41 HydrophobicContact CG1-CD2 4.19Å; V39-F41 HydrophobicContact CG1-CE1 4.45Å; V39-F41 HydrophobicContact CG1-CE2 3.45Å; V39-F41 VanDerWaalsContact CG1-CE2 3.45Å; V39-F41 HydrophobicContact CG1-CZ 3.61Å; V39-F41 WeakPolarHBondContact O-CD2 3.41Å; V39-I90 HydrophobicContact CG1-CD1 3.68Å; V39-L100 HydrophobicContact CG1-CD2 4.31Å; V39-V103 HydrophobicContact CB-CG1 4.33Å; V39-V103 HydrophobicContact CG1-CG1 3.96Å; V39-V103 HydrophobicContact CG2-CG1 3.48Å; V39-V103 VanDerWaalsContact CG2-CG1 3.48Å; V39-M113 PolarHBondContact N-O 3.02Å; V39-A114 WeakPolarHBondContact O-CA 3.36Å; V39-L115 PolarHBondContact O-N 3.48Å
40V92.1Very high79.7Confident0 Ų036.1 Ų36.10%021%0.21CC..EExtended strand (participates in β ladder)trans-105.7113.2-172.5-167.10000109.9L38 K48 I52 V87 F88 I89 I90 L115 V117L38-V40 HydrophobicContact CG-CG2 4.33Å; V40-K48 HydrophobicContact CG1-CB 4.32Å; V40-I52 HydrophobicContact CG2-CD1 3.97Å; V40-I52 HydrophobicContact CG2-CG1 4.19Å; V40-V87 HydrophobicContact CG2-CG1 3.65Å; V40-F88 PolarHBondContact N-O 3.14Å; V40-I89 HydrophobicContact CB-CB 4.48Å; V40-I89 HydrophobicContact CB-CG1 4.18Å; V40-I89 HydrophobicContact CB-CG2 4.5Å; V40-I89 HydrophobicContact CG2-CG1 4.17Å; V40-I90 PolarHBondContact O-N 3.3Å; V40-L115 WeakPolarHBondContact CA-O 3.22Å; V40-L115 HydrophobicContact CG1-CD2 4.22Å; V40-L115 HydrophobicContact CG1-CG 4.42Å; V40-L115 HydrophobicContact CG2-CD2 4.29Å; V40-V117 HydrophobicContact CG1-CG2 3.58Å
41F90.3Very high81.6Confident1 Ų131.4 Ų31.40%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-104.8156.3179.1-61.3-94.5000110.5V39 I90 L100 A114 L115 M116 V117 W133 L137V39-F41 HydrophobicContact CB-CE2 3.78Å; V39-F41 HydrophobicContact CB-CZ 4.34Å; V39-F41 HydrophobicContact CG1-CD2 4.19Å; V39-F41 HydrophobicContact CG1-CE1 4.45Å; V39-F41 HydrophobicContact CG1-CE2 3.45Å; V39-F41 VanDerWaalsContact CG1-CE2 3.45Å; V39-F41 HydrophobicContact CG1-CZ 3.61Å; V39-F41 WeakPolarHBondContact O-CD2 3.41Å; F41-I90 HydrophobicContact CD1-CD1 4.39Å; F41-I90 HydrophobicContact CE1-CD1 4.07Å; F41-I90 HydrophobicContact CZ-CD1 4.42Å; F41-L100 HydrophobicContact CE1-CD1 4.14Å; F41-L100 HydrophobicContact CE1-CD2 3.64Å; F41-L100 HydrophobicContact CE1-CG 4.43Å; F41-L100 HydrophobicContact CZ-CD2 3.66Å; F41-A114 HydrophobicContact CD2-CB 4.32Å; F41-A114 HydrophobicContact CE2-CB 3.8Å; F41-L115 PolarHBondContact N-O 3.21Å; F41-M116 HydrophobicContact CB-CG 4.4Å; F41-V117 WeakPolarHBondContact O-CB 3.31Å; F41-V117 PolarHBondContact O-N 2.85Å; F41-W133 HydrophobicContact CB-CB 4.43Å; F41-W133 HydrophobicContact CB-CD2 4.2Å; F41-W133 HydrophobicContact CB-CE3 4.17Å; F41-W133 HydrophobicContact CB-CG 4.29Å; F41-W133 AromaticContact CD1-CE3 3.73Å; F41-W133 HydrophobicContact CD1-CE3 3.73Å; F41-W133 HydrophobicContact CD1-CZ3 4.21Å; F41-W133 HydrophobicContact CG-CE3 4.44Å; F41-L137 HydrophobicContact CD2-CD1 4.27Å; F41-L137 HydrophobicContact CE1-CD1 4.36Å; F41-L137 HydrophobicContact CE2-CD1 3.56Å; F41-L137 HydrophobicContact CE2-CG 4.38Å; F41-L137 HydrophobicContact CZ-CD1 3.61Å; F41-L137 HydrophobicContact CZ-CG 3.93Å
42G88.8Confident83.4Confident0 Ų030.4 Ų30.40%018%0.176CC..  trans154.8160.9172.800000112.3K48 G92 V117 W133G42-K48 PolarHBondContact O-NZ 3.04Å; G42-G92 WeakPolarHBondContact O-CA 3.28Å; G42-V117 VanDerWaalsContact CA-O 3.26Å; G42-V117 WeakPolarHBondContact CA-O 3.22Å; G42-W133 VanDerWaalsContact O-CZ2 3.3Å; G42-W133 WeakPolarHBondContact O-CZ2 3.4Å
43D88.7Confident84.8Confident37 Ų3730.2 Ų30.220%0.19818%0.176CC..  trans-69.1163179.6-75.60.8000112.6S46 K48 K132 W133D43-S46 VanDerWaalsContact O-CB 3.31Å; D43-S46 WeakPolarHBondContact O-CB 3.37Å; D43-S46 PolarHBondContact O-N 3.33Å; D43-S46 PolarHBondContact O-OG 3.31Å; D43-K48 PolarHBondContact O-NZ 2.81Å; D43-K132 IonicContact OD1-NZ 2.65Å; D43-K132 PolarHBondContact OD1-NZ 2.92Å; D43-W133 PolarHBondContact OD1-NE1 2.83Å
44D85.7Confident86Confident76 Ų7631.7 Ų31.741%0.40617%0.174SC..THydrogen-bonded Turntrans-52.7141.8172.5-51.427.2000109.4S46 G92 N93D44-S46 PolarHBondContact O-N 3.25Å; D44-G92 WeakPolarHBondContact OD1-CA 3.47Å; D44-G92 PolarHBondContact OD1-N 3.49Å; D44-N93 PolarHBondContact OD1-N 2.81Å; D44-N93 PolarHBondContact OD2-ND2 3.17Å
45L84Confident87.1Confident145 Ų14527.9 Ų27.976%0.75915%0.154SC*.THydrogen-bonded Turntrans58.810.1-176.7-50.3175.4000116G47 K231L45-G47 PolarHBondContact O-N 2.91Å; L45-K231 PolarHBondContact O-NZ 3.35Å
46S85.4Confident87.9Confident5 Ų527.9 Ų27.94%0.03515%0.147CC..SBendtrans-68.1-14.6176.283.60000113.7D43 D44 K48 V117 T230D43-S46 VanDerWaalsContact O-CB 3.31Å; D43-S46 WeakPolarHBondContact O-CB 3.37Å; D43-S46 PolarHBondContact O-N 3.33Å; D43-S46 PolarHBondContact O-OG 3.31Å; D44-S46 PolarHBondContact O-N 3.25Å; S46-K48 WeakPolarHBondContact OG-CG 3.35Å; S46-V117 WeakPolarHBondContact CB-O 3.49Å; S46-V117 PolarHBondContact OG-O 2.82Å; S46-T230 PolarHBondContact O-OG1 3.49Å
47G83.9Confident87.7Confident16 Ų1629 Ų2917%0.16517%0.166CC..SBendtrans97.719.717800000114.7L45 T50 L51L45-G47 PolarHBondContact O-N 2.91Å; G47-T50 PolarHBondContact O-N 2.86Å; G47-L51 WeakPolarHBondContact O-CB 3.48Å; G47-L51 PolarHBondContact O-N 2.96Å
48K88.2Confident87.3Confident14 Ų1432 Ų326%0.06118%0.183CC..Hα-helixtrans-49.2-65.2-179.2-55.1-177.1-70.6-99.10112.9V40 G42 D43 S46 T50 L51 I52 I89 I90 D91 V117V40-K48 HydrophobicContact CG1-CB 4.32Å; G42-K48 PolarHBondContact O-NZ 3.04Å; D43-K48 PolarHBondContact O-NZ 2.81Å; S46-K48 WeakPolarHBondContact OG-CG 3.35Å; K48-T50 VanDerWaalsContact C-N 3.28Å; K48-T50 PolarHBondContact O-N 3.06Å; K48-L51 WeakPolarHBondContact O-CB 3.44Å; K48-L51 PolarHBondContact O-N 2.98Å; K48-I52 PolarHBondContact O-N 2.99Å; K48-I89 HydrophobicContact CB-CG2 3.76Å; K48-I89 HydrophobicContact CD-CG2 4.15Å; K48-I90 WeakPolarHBondContact CD-O 3.38Å; K48-I90 WeakPolarHBondContact CE-O 3.46Å; K48-I90 PolarHBondContact NZ-O 2.98Å; K48-D91 IonicContact NZ-OD1 3.44Å; K48-V117 HydrophobicContact CG-CB 4.23Å; K48-V117 HydrophobicContact CG-CG1 4.39Å
49S87.7Confident86.2Confident22 Ų2240.2 Ų40.215%0.15422%0.221CC..Hα-helixtrans-65.1-31.9-177.7-39.10000111.9L51 I52 C53 E68S49-L51 VanDerWaalsContact C-N 3.34Å; S49-L51 PolarHBondContact O-N 3.32Å; S49-I52 PolarHBondContact O-N 2.79Å; S49-C53 WeakPolarHBondContact O-CB 3.41Å; S49-C53 PolarHBondContact O-N 3.48Å; S49-E68 VanDerWaalsContact CB-OE2 3.25Å; S49-E68 WeakPolarHBondContact CB-OE2 3.45Å; S49-E68 PolarHBondContact OG-OE2 2.82Å
50T88.2Confident85.1Confident56 Ų5646.2 Ų46.234%0.34425%0.253SS..Hα-helixtrans-64.5-36172.2-33.50000112.7G47 K48 R54 V272G47-T50 PolarHBondContact O-N 2.86Å; K48-T50 VanDerWaalsContact C-N 3.28Å; K48-T50 PolarHBondContact O-N 3.06Å; T50-R54 WeakPolarHBondContact O-CB 3.15Å; T50-R54 PolarHBondContact O-N 2.57Å; T50-V272 HydrophobicContact CG2-CG1 4.22Å
51L88.5Confident83.9Confident0 Ų053.8 Ų53.80%029%0.286CS..Hα-helixtrans-71.9-43.4176.1-179.964.7000111.4G47 K48 S49 R54 L55 V117 V228 V270 V272 L281G47-L51 WeakPolarHBondContact O-CB 3.48Å; G47-L51 PolarHBondContact O-N 2.96Å; K48-L51 WeakPolarHBondContact O-CB 3.44Å; K48-L51 PolarHBondContact O-N 2.98Å; S49-L51 VanDerWaalsContact C-N 3.34Å; S49-L51 PolarHBondContact O-N 3.32Å; L51-R54 PolarHBondContact O-N 3.16Å; L51-L55 HydrophobicContact CG-CD1 4.19Å; L51-L55 VanDerWaalsContact O-CG 3.27Å; L51-L55 WeakPolarHBondContact O-CG 3.28Å; L51-L55 PolarHBondContact O-N 3.16Å; L51-V117 HydrophobicContact CD2-CG1 4.31Å; L51-V117 HydrophobicContact CD2-CG2 4.24Å; L51-V228 HydrophobicContact CD2-CG1 3.99Å; L51-V270 HydrophobicContact CD1-CG1 3.95Å; L51-V272 HydrophobicContact CB-CG2 4.42Å; L51-V272 HydrophobicContact CD1-CG2 3.88Å; L51-L281 HydrophobicContact CD1-CD2 4.18Å; L51-L281 HydrophobicContact CD2-CD2 4.03Å; L51-L281 HydrophobicContact CG-CD2 4.42Å
52I89.7Confident82.7Confident0 Ų060.7 Ų60.70%032%0.318CS..Hα-helixtrans-69.7-42.8179.1-58.2-45.8000111.7V40 K48 S49 R54 L55 Q56 D70 I72 V87 I89V40-I52 HydrophobicContact CG2-CD1 3.97Å; V40-I52 HydrophobicContact CG2-CG1 4.19Å; K48-I52 PolarHBondContact O-N 2.99Å; S49-I52 PolarHBondContact O-N 2.79Å; I52-R54 VanDerWaalsContact C-N 3.3Å; I52-R54 PolarHBondContact O-N 3.41Å; I52-L55 HydrophobicContact CD1-CD1 3.91Å; I52-L55 CarbonylContact O-C 3.57Å; I52-L55 PolarHBondContact O-N 2.93Å; I52-Q56 PolarHBondContact O-N 2.83Å; I52-D70 HydrophobicContact CG2-CB 3.99Å; I52-D70 WeakPolarHBondContact CG2-OD2 3.38Å; I52-I72 HydrophobicContact CG2-CD1 4.46Å; I52-V87 HydrophobicContact CD1-CG1 4.14Å; I52-V87 HydrophobicContact CG1-CG1 4.1Å; I52-V87 HydrophobicContact CG2-CB 4.49Å; I52-V87 HydrophobicContact CG2-CG1 4Å; I52-I89 HydrophobicContact CB-CD1 3.67Å; I52-I89 HydrophobicContact CG1-CD1 3.49Å; I52-I89 VanDerWaalsContact CG1-CD1 3.49Å; I52-I89 HydrophobicContact CG1-CG1 3.97Å; I52-I89 HydrophobicContact CG2-CD1 4.04Å
53C87.8Confident81.6Confident14 Ų1467.4 Ų67.410%0.09535%0.35CS..Hα-helixtrans-55.6-44.6172.2-177.50000111.2S49 L55 Q56 G57 N58 D60S49-C53 WeakPolarHBondContact O-CB 3.41Å; S49-C53 PolarHBondContact O-N 3.48Å; C53-L55 PolarHBondContact O-N 2.8Å; C53-Q56 WeakPolarHBondContact O-CB 3.09Å; C53-Q56 PolarHBondContact O-N 3.02Å; C53-G57 PolarHBondContact O-N 3.44Å; C53-N58 CarbonylContact C-O 3.52Å; C53-N58 PolarHBondContact O-N 3.47Å; C53-N58 VanDerWaalsContact O-O 3.11Å; C53-N58 VanDerWaalsContact SG-CB 3.55Å; C53-N58 PolarHBondContact SG-O 2.67Å; C53-D60 PolarHBondContact SG-O 3.3Å
54R88.1Confident80.3Confident81 Ų8166.7 Ų66.731%0.30635%0.351SS..Hα-helixtrans-61.5-41.4173.2-176.869.9-163.3113.7-0.8112.8T50 L51 I52 Q56 G57 V272 D275 C278T50-R54 WeakPolarHBondContact O-CB 3.15Å; T50-R54 PolarHBondContact O-N 2.57Å; L51-R54 PolarHBondContact O-N 3.16Å; I52-R54 VanDerWaalsContact C-N 3.3Å; I52-R54 PolarHBondContact O-N 3.41Å; R54-Q56 VanDerWaalsContact C-N 3.34Å; R54-G57 PolarHBondContact O-N 3.06Å; R54-V272 HydrophobicContact CB-CG1 3.82Å; R54-V272 HydrophobicContact CG-CG1 3.95Å; R54-D275 IonicContact CZ-OD1 3.73Å; R54-D275 IonicContact CZ-OD2 3.71Å; R54-D275 IonicContact NE-OD1 3.99Å; R54-D275 PolarHBondContact NE-OD1 3.2Å; R54-D275 IonicContact NE-OD2 3.89Å; R54-D275 IonicContact NH2-OD1 2.83Å; R54-D275 PolarHBondContact NH2-OD1 3.46Å; R54-D275 IonicContact NH2-OD2 3.75Å; R54-D275 PolarHBondContact NH2-OD2 3.32Å; R54-C278 HydrophobicContact CG-CB 4.28Å
55L86.6Confident79.5Confident12 Ų1272.2 Ų72.26%0.06337%0.371CS..Hα-helixtrans-68.6-27.6178.5-72.2168000113.5L51 I52 C53 G57 I72 C278 L281 N282L51-L55 HydrophobicContact CG-CD1 4.19Å; L51-L55 VanDerWaalsContact O-CG 3.27Å; L51-L55 WeakPolarHBondContact O-CG 3.28Å; L51-L55 PolarHBondContact O-N 3.16Å; I52-L55 HydrophobicContact CD1-CD1 3.91Å; I52-L55 CarbonylContact O-C 3.57Å; I52-L55 PolarHBondContact O-N 2.93Å; C53-L55 PolarHBondContact O-N 2.8Å; L55-G57 VanDerWaalsContact C-N 3.27Å; L55-I72 HydrophobicContact CB-CD1 4.01Å; L55-C278 WeakPolarHBondContact CD2-O 3.46Å; L55-L281 HydrophobicContact CD1-CD2 4.28Å; L55-N282 HydrophobicContact CD2-CB 3.58Å
56Q86Confident79Confident55 Ų5566 Ų6626%0.25734%0.343SS..Hα-helixtrans-72.7-18.5168.1-70.7172.6-16.700113.1I52 C53 R54 N58 D70 I71 I72I52-Q56 PolarHBondContact O-N 2.83Å; C53-Q56 WeakPolarHBondContact O-CB 3.09Å; C53-Q56 PolarHBondContact O-N 3.02Å; R54-Q56 VanDerWaalsContact C-N 3.34Å; Q56-N58 HydrophobicContact CB-CB 4.41Å; Q56-N58 PolarHBondContact OE1-ND2 2.91Å; Q56-D70 PolarHBondContact NE2-OD1 2.95Å; Q56-I71 PolarHBondContact NE2-O 3.46Å; Q56-I72 HydrophobicContact CG-CG1 3.89Å
57G81.8Confident78.9Confident51 Ų5168.6 Ų68.653%0.52636%0.356SS..THydrogen-bonded Turntrans82.99-168.900000114.4C53 R54 L55C53-G57 PolarHBondContact O-N 3.44Å; R54-G57 PolarHBondContact O-N 3.06Å; L55-G57 VanDerWaalsContact C-N 3.27Å
58N79.5Confident78.9Confident83 Ų8369.7 Ų69.744%0.44436%0.357SS..  trans-85.1155.1175.5-70.1-36.5000111.1C53 Q56C53-N58 CarbonylContact C-O 3.52Å; C53-N58 PolarHBondContact O-N 3.47Å; C53-N58 VanDerWaalsContact O-O 3.11Å; C53-N58 VanDerWaalsContact SG-CB 3.55Å; C53-N58 PolarHBondContact SG-O 2.67Å; Q56-N58 HydrophobicContact CB-CB 4.41Å; Q56-N58 PolarHBondContact OE1-ND2 2.91Å
59E69.3Low78.9Confident174 Ų17474.7 Ų74.781%0.81338%0.376SS*.  trans-111-10.7171.2-64-164.5164.900113.4K61E59-K61 PolarHBondContact O-N 3.46Å
60D67.4Low78.9Confident128 Ų12875.1 Ų75.168%0.68438%0.377SS*.  trans-71.1100.7-176.2-79.3-31.6000111.7C53 Q62C53-D60 PolarHBondContact SG-O 3.3Å; D60-Q62 PolarHBondContact O-N 3.1Å
61K66.6Low78.8Confident159 Ų15976.3 Ų76.369%0.69138%0.38SS*.  trans-74.494.5176.3-65.6168.5-168.8164.10110.3E59E59-K61 PolarHBondContact O-N 3.46Å
62Q64.2Low78.8Confident146 Ų14676.7 Ų76.768%0.68238%0.382SS*.  trans-88.1134.7162.5-55.7-166.840.800108.7D60 G64D60-Q62 PolarHBondContact O-N 3.1Å; Q62-G64 PolarHBondContact O-N 3.32Å
63E66.5Low78.5Confident142 Ų14281.6 Ų81.666%0.66441%0.405SS*.  trans-88.593.7173.8-65.7-70.4166.500107.7F65E63-F65 HydrophobicContact CB-CE2 4.42Å; E63-F65 WeakPolarHBondContact O-CD2 3.21Å; E63-F65 WeakPolarHBondContact O-CE2 3.47Å; E63-F65 PolarHBondContact O-N 2.91Å
64G61.2Low78.4Confident21 Ų2180.9 Ų80.922%0.21640%0.4CS..  trans-65.7126.4-179.300000113Q62 E68Q62-G64 PolarHBondContact O-N 3.32Å; G64-E68 VanDerWaalsContact CA-OE1 3.28Å; G64-E68 WeakPolarHBondContact CA-OE1 3.47Å
65F68.9Low78Confident192 Ų19282.9 Ų82.984%0.84241%0.411SS*.  trans-106.9115.2177.2-69.7-82.8000111.4E63E63-F65 HydrophobicContact CB-CE2 4.42Å; E63-F65 WeakPolarHBondContact O-CD2 3.21Å; E63-F65 WeakPolarHBondContact O-CE2 3.47Å; E63-F65 PolarHBondContact O-N 2.91Å
66G74.5Confident77.5Confident15 Ų1582.7 Ų82.716%0.15541%0.41CS..SBendtrans96-118.8174.100000113.4D91 Q96G66-D91 PolarHBondContact O-N 3.04Å; G66-Q96 PolarHBondContact O-OE1 3.11Å; G66-Q96 VanDerWaalsContact O-OE1 3.06Å
67L82.2Confident77Confident60 Ų6088.9 Ų88.931%0.31444%0.439SS..EExtended strand (participates in β ladder)trans-102.4104.4170.4178.466.7000108.3F88 I89 I90 L99 V103L67-F88 HydrophobicContact CD1-CB 4.15Å; L67-F88 HydrophobicContact CD1-CD1 4.23Å; L67-I89 WeakPolarHBondContact CA-O 3.48Å; L67-I90 HydrophobicContact CD1-CG1 3.88Å; L67-L99 HydrophobicContact CB-CB 4.33Å; L67-L99 HydrophobicContact CB-CD1 3.76Å; L67-L99 HydrophobicContact CD2-CB 4.4Å; L67-V103 HydrophobicContact CD1-CG2 3.73Å; L67-V103 HydrophobicContact CD2-CG2 3.8Å; L67-V103 HydrophobicContact CG-CG2 4.44Å
68E84.9Confident76.7Confident38 Ų3893 Ų9318%0.17845%0.453CS..EExtended strand (participates in β ladder)trans-89.5139173.3165.5171.4-112.300108.8S49 G64 I89S49-E68 VanDerWaalsContact CB-OE2 3.25Å; S49-E68 WeakPolarHBondContact CB-OE2 3.45Å; S49-E68 PolarHBondContact OG-OE2 2.82Å; G64-E68 VanDerWaalsContact CA-OE1 3.28Å; G64-E68 WeakPolarHBondContact CA-OE1 3.47Å; E68-I89 HydrophobicContact CB-CB 4.07Å; E68-I89 HydrophobicContact CG-CB 4.28Å; E68-I89 HydrophobicContact CG-CD1 4.14Å; E68-I89 PolarHBondContact N-O 3.18Å; E68-I89 PolarHBondContact O-N 2.56Å; E68-I89 WeakPolarHBondContact OE2-CD1 3.44Å
69Y87.2Confident76.2Confident119 Ų11993.7 Ų93.747%0.46745%0.453SS..EExtended strand (participates in β ladder)trans-124.9122.4-177.3174.5-107.5000109.7I71 S86 V87 F88Y69-I71 HydrophobicContact CE1-CD1 4.09Å; Y69-I71 HydrophobicContact CE1-CG1 3.96Å; Y69-S86 PolarHBondContact OH-OG 2.8Å; Y69-V87 WeakPolarHBondContact CA-O 3.3Å; Y69-V87 WeakPolarHBondContact CD2-O 3.49Å; Y69-F88 AromaticContact CD2-CD1 3.72Å; Y69-F88 HydrophobicContact CD2-CD1 3.72Å; Y69-F88 HydrophobicContact CD2-CD2 4.46Å; Y69-F88 AromaticContact CD2-CE1 3.39Å; Y69-F88 HydrophobicContact CD2-CE1 3.39Å; Y69-F88 HydrophobicContact CD2-CE2 4.18Å; Y69-F88 HydrophobicContact CD2-CG 4.26Å; Y69-F88 AromaticContact CD2-CZ 3.65Å; Y69-F88 HydrophobicContact CD2-CZ 3.65Å; Y69-F88 HydrophobicContact CE2-CD1 4.44Å; Y69-F88 AromaticContact CE2-CE1 3.83Å; Y69-F88 HydrophobicContact CE2-CE1 3.83Å; Y69-F88 AromaticContact CE2-CE2 3.97Å; Y69-F88 HydrophobicContact CE2-CE2 3.97Å; Y69-F88 AromaticContact CE2-CZ 3.56Å; Y69-F88 HydrophobicContact CE2-CZ 3.56Å; Y69-F88 HydrophobicContact CG-CE1 4.34Å
70D86.8Confident76.6Confident32 Ų3293 Ų9317%0.17145%0.454CS..EExtended strand (participates in β ladder)trans-125.4157.2-173.8-93.2-46.1000110I52 Q56 V87 I89I52-D70 HydrophobicContact CG2-CB 3.99Å; I52-D70 WeakPolarHBondContact CG2-OD2 3.38Å; Q56-D70 PolarHBondContact NE2-OD1 2.95Å; D70-V87 HydrophobicContact CB-CB 3.89Å; D70-V87 HydrophobicContact CB-CG1 4.49Å; D70-V87 PolarHBondContact N-O 2.78Å; D70-V87 PolarHBondContact O-N 3.36Å; D70-I89 WeakPolarHBondContact OD2-CD1 3.34Å
71I87.8Confident77Confident80 Ų8089 Ų8941%0.4144%0.435SS..EExtended strand (participates in β ladder)trans-124.9133171.7-60.5175.4000108.3Q56 Y69 N84Q56-I71 PolarHBondContact NE2-O 3.46Å; Y69-I71 HydrophobicContact CE1-CD1 4.09Å; Y69-I71 HydrophobicContact CE1-CG1 3.96Å; I71-N84 HydrophobicContact CG2-CB 3.74Å; I71-N84 WeakPolarHBondContact CG2-OD1 3.35Å
72I86.9Confident77.7Confident9 Ų984.4 Ų84.45%0.04642%0.423CS..EExtended strand (participates in β ladder)trans-111120.3169.8-62.7176.6000107.8I52 L55 Q56 V74 L85 V87I52-I72 HydrophobicContact CG2-CD1 4.46Å; L55-I72 HydrophobicContact CB-CD1 4.01Å; Q56-I72 HydrophobicContact CG-CG1 3.89Å; I72-V74 HydrophobicContact CG2-CG2 4.25Å; I72-V74 PolarHBondContact O-N 3.49Å; I72-L85 HydrophobicContact CB-CB 4.35Å; I72-L85 PolarHBondContact N-O 2.78Å; I72-L85 PolarHBondContact O-N 3.28Å; I72-V87 HydrophobicContact CD1-CG2 3.76Å; I72-V87 HydrophobicContact CG1-CG2 3.88Å
73E85.4Confident78.6Confident102 Ų10277.5 Ų77.548%0.47739%0.39SS..EExtended strand (participates in β ladder)trans-77.5111.8172.8-166.4-170.6-176.300109.6K75 S82E73-K75 WeakPolarHBondContact OE1-CE 3.31Å; E73-K75 IonicContact OE1-NZ 3.74Å; E73-K75 PolarHBondContact OE1-NZ 3.03Å; E73-K75 WeakPolarHBondContact OE2-CE 2.97Å; E73-K75 IonicContact OE2-NZ 2.7Å; E73-K75 PolarHBondContact OE2-NZ 2.85Å; E73-S82 VanDerWaalsContact OE1-CB 3.31Å; E73-S82 WeakPolarHBondContact OE1-CB 3.33Å; E73-S82 PolarHBondContact OE1-OG 3.06Å
74V83.7Confident79.6Confident0 Ų074 Ų740%038%0.376CS..EExtended strand (participates in β ladder)trans-98.7125.51781750000108.9I72 S82 A83 L85 Q286 Y290 F292I72-V74 HydrophobicContact CG2-CG2 4.25Å; I72-V74 PolarHBondContact O-N 3.49Å; V74-S82 CarbonylContact O-C 3.5Å; V74-S82 VanDerWaalsContact O-CA 3.27Å; V74-S82 WeakPolarHBondContact O-CA 3.27Å; V74-A83 PolarHBondContact N-O 2.84Å; V74-A83 PolarHBondContact O-N 2.84Å; V74-L85 HydrophobicContact CG2-CB 4.12Å; V74-Q286 HydrophobicContact CG1-CG 3.8Å; V74-Q286 HydrophobicContact CG2-CG 4.09Å; V74-Y290 HydrophobicContact CB-CE2 4.2Å; V74-Y290 HydrophobicContact CG1-CD2 4.16Å; V74-Y290 HydrophobicContact CG1-CE2 4.02Å; V74-Y290 HydrophobicContact CG2-CE2 4.12Å; V74-F292 HydrophobicContact CG1-CE2 3.83Å; V74-F292 HydrophobicContact CG1-CZ 4.33Å
75K80.3Confident80.8Confident122 Ų12273.1 Ų73.153%0.5337%0.366SS..EExtended strand (participates in β ladder)trans-112.5125.5-176.8-72.7171.4-177.4158.50111.4E73 E77E73-K75 WeakPolarHBondContact OE1-CE 3.31Å; E73-K75 IonicContact OE1-NZ 3.74Å; E73-K75 PolarHBondContact OE1-NZ 3.03Å; E73-K75 WeakPolarHBondContact OE2-CE 2.97Å; E73-K75 IonicContact OE2-NZ 2.7Å; E73-K75 PolarHBondContact OE2-NZ 2.85Å; K75-E77 PolarHBondContact O-N 2.88Å
76D76.8Confident81.8Confident8 Ų864.7 Ų64.74%0.04333%0.331CS..EExtended strand (participates in β ladder)trans-8598.2170.1-174.6-16.2000110L32 V78 K79 D80 V81 F292L32-D76 HydrophobicContact CD1-CB 4.11Å; D76-V78 PolarHBondContact O-N 3.3Å; D76-V78 VanDerWaalsContact O-N 3.08Å; D76-V78 WeakPolarHBondContact OD1-CA 3.42Å; D76-V78 WeakPolarHBondContact OD1-CB 3.47Å; D76-V78 PolarHBondContact OD1-N 2.71Å; D76-K79 HydrophobicContact CB-CB 4.27Å; D76-K79 PolarHBondContact O-N 2.87Å; D76-K79 VanDerWaalsContact O-N 3.14Å; D76-K79 PolarHBondContact OD1-N 2.84Å; D76-K79 WeakPolarHBondContact OD2-CD 3.43Å; D76-K79 WeakPolarHBondContact OD2-CE 3.18Å; D76-K79 WeakPolarHBondContact OD2-CG 3.49Å; D76-K79 IonicContact OD2-NZ 3.96Å; D76-K79 PolarHBondContact OD2-NZ 3.47Å; D76-D80 PolarHBondContact O-N 2.8Å; D76-V81 WeakPolarHBondContact CB-O 3.47Å; D76-V81 PolarHBondContact N-O 2.99Å; D76-F292 HydrophobicContact CB-CE1 3.74Å; D76-F292 HydrophobicContact CB-CZ 3.99Å; D76-F292 WeakPolarHBondContact OD2-CE1 3.24Å
77E75.4Confident82.6Confident186 Ų18664 Ų6487%0.86932%0.324SS*.THydrogen-bonded Turntrans-58.2-16.8176.3-61.7-175.5167.600113.8K75K75-E77 PolarHBondContact O-N 2.88Å
78V74.5Confident82.9Confident136 Ų13662.7 Ų62.782%0.82432%0.316SS*.THydrogen-bonded Turntrans-94.4-20.7-178.5-172.10000111.9D76D76-V78 PolarHBondContact O-N 3.3Å; D76-V78 VanDerWaalsContact O-N 3.08Å; D76-V78 WeakPolarHBondContact OD1-CA 3.42Å; D76-V78 WeakPolarHBondContact OD1-CB 3.47Å; D76-V78 PolarHBondContact OD1-N 2.71Å
79K70.6Confident83.2Confident99 Ų9961 Ų6143%0.4331%0.308SS..THydrogen-bonded Turntrans-118.9-6.8-177.4-59.2-167.4-15496.60115.4I30 D76 V81I30-K79 HydrophobicContact CG2-CD 4.2Å; D76-K79 HydrophobicContact CB-CB 4.27Å; D76-K79 PolarHBondContact O-N 2.87Å; D76-K79 VanDerWaalsContact O-N 3.14Å; D76-K79 PolarHBondContact OD1-N 2.84Å; D76-K79 WeakPolarHBondContact OD2-CD 3.43Å; D76-K79 WeakPolarHBondContact OD2-CE 3.18Å; D76-K79 WeakPolarHBondContact OD2-CG 3.49Å; D76-K79 IonicContact OD2-NZ 3.96Å; D76-K79 PolarHBondContact OD2-NZ 3.47Å; K79-V81 HydrophobicContact CB-CB 4.38Å; K79-V81 HydrophobicContact CB-CG2 4.01Å; K79-V81 PolarHBondContact O-N 2.93Å
80D76.4Confident83.2Confident158 Ų15855.5 Ų55.585%0.84529%0.287SS*.THydrogen-bonded Turntrans54.333.3-169.3-70.3-44000113.2D76D76-D80 PolarHBondContact O-N 2.8Å
81V77.1Confident83Confident45 Ų4555.3 Ų55.327%0.27329%0.286SS..EExtended strand (participates in β ladder)trans-109.6124.9177.9176.90000109.9L32 D76 K79L32-V81 HydrophobicContact CB-CG1 4.33Å; L32-V81 HydrophobicContact CD1-CG1 4.28Å; L32-V81 HydrophobicContact CG-CG1 4.04Å; D76-V81 WeakPolarHBondContact CB-O 3.47Å; D76-V81 PolarHBondContact N-O 2.99Å; K79-V81 HydrophobicContact CB-CB 4.38Å; K79-V81 HydrophobicContact CB-CG2 4.01Å; K79-V81 PolarHBondContact O-N 2.93Å
82S81.3Confident82.4Confident63 Ų6351.5 Ų51.544%0.44127%0.267SS..EExtended strand (participates in β ladder)trans-92.9150.1163.455.40000111.8E73 V74E73-S82 VanDerWaalsContact OE1-CB 3.31Å; E73-S82 WeakPolarHBondContact OE1-CB 3.33Å; E73-S82 PolarHBondContact OE1-OG 3.06Å; V74-S82 CarbonylContact O-C 3.5Å; V74-S82 VanDerWaalsContact O-CA 3.27Å; V74-S82 WeakPolarHBondContact O-CA 3.27Å
83A83.2Confident81.9Confident0 Ų054.1 Ų54.10%028%0.281CS..EExtended strand (participates in β ladder)trans-135.2159.9165.300000110.7L32 D34 V74 Y290L32-A83 HydrophobicContact CB-CB 3.4Å; L32-A83 HydrophobicContact CD1-CB 3.85Å; L32-A83 HydrophobicContact CG-CB 4.3Å; D34-A83 WeakPolarHBondContact OD1-CA 3.29Å; V74-A83 PolarHBondContact N-O 2.84Å; V74-A83 PolarHBondContact O-N 2.84Å; A83-Y290 HydrophobicContact CB-CE1 4.07Å
84N85.9Confident81.3Confident70 Ų7052.7 Ų52.737%0.37428%0.28SS..EExtended strand (participates in β ladder)trans-100.3111.8177.9-62.7-72.9000109.4D34 I71D34-N84 PolarHBondContact OD1-N 3.08Å; D34-N84 PolarHBondContact OD1-ND2 3.13Å; I71-N84 HydrophobicContact CG2-CB 3.74Å; I71-N84 WeakPolarHBondContact CG2-OD1 3.35Å
85L87.9Confident80.7Confident1 Ų159.1 Ų59.11%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-82113.8166.717558.8000108.3K36 L38 I72 V74 V87 I285 I289K36-L85 HydrophobicContact CB-CD1 4.36Å; L38-L85 HydrophobicContact CB-CD1 4.14Å; L38-L85 HydrophobicContact CB-CD2 4.37Å; L38-L85 HydrophobicContact CB-CG 4.36Å; L38-L85 HydrophobicContact CD2-CD2 4.38Å; I72-L85 HydrophobicContact CB-CB 4.35Å; I72-L85 PolarHBondContact N-O 2.78Å; I72-L85 PolarHBondContact O-N 3.28Å; V74-L85 HydrophobicContact CG2-CB 4.12Å; L85-V87 HydrophobicContact CG-CG2 4.26Å; L85-I285 HydrophobicContact CD2-CG2 3.81Å; L85-I289 HydrophobicContact CD1-CD1 3.62Å; L85-I289 HydrophobicContact CD1-CG2 4.4Å; L85-I289 HydrophobicContact CD2-CD1 4.03Å
86S89.4Confident80.1Confident15 Ų1554.9 Ų54.911%0.10530%0.295CS..EExtended strand (participates in β ladder)trans-74.8124.3174.1-80.90000110.1K36 N37 L38 Y69K36-S86 PolarHBondContact O-N 3.23Å; K36-S86 VanDerWaalsContact O-N 3.13Å; N37-S86 CarbonylContact C-O 3.57Å; N37-S86 WeakPolarHBondContact CA-O 3.35Å; N37-S86 VanDerWaalsContact OD1-CB 3.3Å; N37-S86 WeakPolarHBondContact OD1-CB 3.29Å; L38-S86 PolarHBondContact N-O 3.41Å; Y69-S86 PolarHBondContact OH-OG 2.8Å
87V90.4Very high79.8Confident0 Ų056.2 Ų56.20%031%0.305CS..EExtended strand (participates in β ladder)trans-115.3129.9-179.1-173.20000109.7L38 V40 I52 Y69 D70 I72 L85 I89L38-V87 HydrophobicContact CB-CG2 4.29Å; L38-V87 HydrophobicContact CD2-CG1 4.29Å; L38-V87 HydrophobicContact CD2-CG2 4.26Å; L38-V87 CarbonylContact O-C 3.49Å; L38-V87 WeakPolarHBondContact O-CA 3.28Å; V40-V87 HydrophobicContact CG2-CG1 3.65Å; I52-V87 HydrophobicContact CD1-CG1 4.14Å; I52-V87 HydrophobicContact CG1-CG1 4.1Å; I52-V87 HydrophobicContact CG2-CB 4.49Å; I52-V87 HydrophobicContact CG2-CG1 4Å; Y69-V87 WeakPolarHBondContact CA-O 3.3Å; Y69-V87 WeakPolarHBondContact CD2-O 3.49Å; D70-V87 HydrophobicContact CB-CB 3.89Å; D70-V87 HydrophobicContact CB-CG1 4.49Å; D70-V87 PolarHBondContact N-O 2.78Å; D70-V87 PolarHBondContact O-N 3.36Å; I72-V87 HydrophobicContact CD1-CG2 3.76Å; I72-V87 HydrophobicContact CG1-CG2 3.88Å; L85-V87 HydrophobicContact CG-CG2 4.26Å; V87-I89 HydrophobicContact CG1-CG1 4.23Å
88F89.6Confident79.7Confident33 Ų3353.4 Ų53.415%0.14529%0.292CS..EExtended strand (participates in β ladder)trans-120.1106.8-178.7-68.1-87.9000109.6N37 L38 V40 L67 Y69 V103N37-F88 HydrophobicContact CB-CD2 4.42Å; N37-F88 HydrophobicContact CB-CE2 4.2Å; N37-F88 WeakPolarHBondContact OD1-CE2 3.24Å; L38-F88 PolarHBondContact O-N 3.32Å; V40-F88 PolarHBondContact N-O 3.14Å; L67-F88 HydrophobicContact CD1-CB 4.15Å; L67-F88 HydrophobicContact CD1-CD1 4.23Å; Y69-F88 AromaticContact CD2-CD1 3.72Å; Y69-F88 HydrophobicContact CD2-CD1 3.72Å; Y69-F88 HydrophobicContact CD2-CD2 4.46Å; Y69-F88 AromaticContact CD2-CE1 3.39Å; Y69-F88 HydrophobicContact CD2-CE1 3.39Å; Y69-F88 HydrophobicContact CD2-CE2 4.18Å; Y69-F88 HydrophobicContact CD2-CG 4.26Å; Y69-F88 AromaticContact CD2-CZ 3.65Å; Y69-F88 HydrophobicContact CD2-CZ 3.65Å; Y69-F88 HydrophobicContact CE2-CD1 4.44Å; Y69-F88 AromaticContact CE2-CE1 3.83Å; Y69-F88 HydrophobicContact CE2-CE1 3.83Å; Y69-F88 AromaticContact CE2-CE2 3.97Å; Y69-F88 HydrophobicContact CE2-CE2 3.97Å; Y69-F88 AromaticContact CE2-CZ 3.56Å; Y69-F88 HydrophobicContact CE2-CZ 3.56Å; Y69-F88 HydrophobicContact CG-CE1 4.34Å; F88-V103 HydrophobicContact CB-CG1 3.65Å; F88-V103 HydrophobicContact CB-CG2 4.07Å; F88-V103 HydrophobicContact CD1-CB 4.45Å; F88-V103 HydrophobicContact CD1-CG1 4.1Å; F88-V103 HydrophobicContact CD1-CG2 3.74Å; F88-V103 HydrophobicContact CD2-CG1 3.73Å; F88-V103 HydrophobicContact CE1-CG2 4.38Å; F88-V103 HydrophobicContact CE2-CG1 4.37Å; F88-V103 HydrophobicContact CG-CB 4.37Å; F88-V103 HydrophobicContact CG-CG1 3.56Å; F88-V103 HydrophobicContact CG-CG2 3.99Å
89I89.6Confident79.9Confident3 Ų349.7 Ų49.72%0.01527%0.267CS..EExtended strand (participates in β ladder)trans-95.2124-179.3-52.2176.6000109.3V40 K48 I52 L67 E68 D70 V87V40-I89 HydrophobicContact CB-CB 4.48Å; V40-I89 HydrophobicContact CB-CG1 4.18Å; V40-I89 HydrophobicContact CB-CG2 4.5Å; V40-I89 HydrophobicContact CG2-CG1 4.17Å; K48-I89 HydrophobicContact CB-CG2 3.76Å; K48-I89 HydrophobicContact CD-CG2 4.15Å; I52-I89 HydrophobicContact CB-CD1 3.67Å; I52-I89 HydrophobicContact CG1-CD1 3.49Å; I52-I89 VanDerWaalsContact CG1-CD1 3.49Å; I52-I89 HydrophobicContact CG1-CG1 3.97Å; I52-I89 HydrophobicContact CG2-CD1 4.04Å; L67-I89 WeakPolarHBondContact CA-O 3.48Å; E68-I89 HydrophobicContact CB-CB 4.07Å; E68-I89 HydrophobicContact CG-CB 4.28Å; E68-I89 HydrophobicContact CG-CD1 4.14Å; E68-I89 PolarHBondContact N-O 3.18Å; E68-I89 PolarHBondContact O-N 2.56Å; E68-I89 WeakPolarHBondContact OE2-CD1 3.44Å; D70-I89 WeakPolarHBondContact OD2-CD1 3.34Å; V87-I89 HydrophobicContact CG1-CG1 4.23Å
90I87.2Confident80.2Confident3 Ų345 Ų452%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-107.5119.2-179.1-61.1169.7000108.1V39 V40 F41 K48 L67 L100V39-I90 HydrophobicContact CG1-CD1 3.68Å; V40-I90 PolarHBondContact O-N 3.3Å; F41-I90 HydrophobicContact CD1-CD1 4.39Å; F41-I90 HydrophobicContact CE1-CD1 4.07Å; F41-I90 HydrophobicContact CZ-CD1 4.42Å; K48-I90 WeakPolarHBondContact CD-O 3.38Å; K48-I90 WeakPolarHBondContact CE-O 3.46Å; K48-I90 PolarHBondContact NZ-O 2.98Å; L67-I90 HydrophobicContact CD1-CG1 3.88Å; I90-L100 HydrophobicContact CD1-CD2 3.32Å; I90-L100 HydrophobicContact CD1-CG 3.83Å
91D83.1Confident80.2Confident28 Ų2843.8 Ų43.815%0.1523%0.234CC..  trans-64.9153.2174167.256.9000111.9K48 G66 N93 Q96K48-D91 IonicContact NZ-OD1 3.44Å; G66-D91 PolarHBondContact O-N 3.04Å; D91-N93 PolarHBondContact O-N 2.91Å; D91-N93 PolarHBondContact OD2-ND2 3.05Å; D91-Q96 VanDerWaalsContact CB-OE1 3.26Å; D91-Q96 PolarHBondContact O-OE1 2.95Å; D91-Q96 PolarHBondContact OD2-NE2 2.62Å
92G74.7Confident80Confident1 Ų148.8 Ų48.81%0.0125%0.252CS..SBendtrans-74.6-3.5-159.300000115.6G42 D44 K132 W133G42-G92 WeakPolarHBondContact O-CA 3.28Å; D44-G92 WeakPolarHBondContact OD1-CA 3.47Å; D44-G92 PolarHBondContact OD1-N 3.49Å; G92-K132 PolarHBondContact O-NZ 2.7Å; G92-W133 WeakPolarHBondContact O-CH2 3.35Å; G92-W133 WeakPolarHBondContact O-CZ2 3.35Å
93N77.7Confident79.8Confident64 Ų6446 Ų4634%0.34223%0.232SC..  trans-73.3115.7-179-78.7-78.7000111.7D44 D91 I95 Q96D44-N93 PolarHBondContact OD1-N 2.81Å; D44-N93 PolarHBondContact OD2-ND2 3.17Å; D91-N93 PolarHBondContact O-N 2.91Å; D91-N93 PolarHBondContact OD2-ND2 3.05Å; N93-I95 PolarHBondContact O-N 3.05Å; N93-Q96 HydrophobicContact CB-CG 4.34Å; N93-Q96 WeakPolarHBondContact O-CB 3.34Å; N93-Q96 PolarHBondContact O-N 2.78Å
94P72.2Confident79.6Confident72 Ų7246.1 Ų46.147%0.46823%0.233SC..G310 helixtrans-64.9-16.1-169.426.1-35.6000114.6Q96 S97 I136P94-Q96 PolarHBondContact O-N 3.16Å; P94-S97 VanDerWaalsContact O-CB 3.22Å; P94-S97 WeakPolarHBondContact O-CB 3.18Å; P94-S97 PolarHBondContact O-N 3.46Å; P94-S97 VanDerWaalsContact O-N 3.16Å; P94-S97 PolarHBondContact O-OG 3.48Å; P94-I136 HydrophobicContact CB-CD1 4.5Å
95I72.3Confident79.2Confident135 Ų13545.2 Ų45.269%0.69223%0.23SC*.G310 helixtrans-59.8-32.2171.5-58.7171.5000110.8N93 S97 H98N93-I95 PolarHBondContact O-N 3.05Å; I95-S97 PolarHBondContact O-N 2.73Å; I95-H98 PolarHBondContact O-N 3.36Å
96Q67.9Low78.6Confident33 Ų3349.4 Ų49.415%0.15425%0.249CC..G310 helixtrans-75-4.5180-57.31751800113.3G66 D91 N93 P94 H98 L99G66-Q96 PolarHBondContact O-OE1 3.11Å; G66-Q96 VanDerWaalsContact O-OE1 3.06Å; D91-Q96 VanDerWaalsContact CB-OE1 3.26Å; D91-Q96 PolarHBondContact O-OE1 2.95Å; D91-Q96 PolarHBondContact OD2-NE2 2.62Å; N93-Q96 HydrophobicContact CB-CG 4.34Å; N93-Q96 WeakPolarHBondContact O-CB 3.34Å; N93-Q96 PolarHBondContact O-N 2.78Å; P94-Q96 PolarHBondContact O-N 3.16Å; Q96-H98 PolarHBondContact O-N 2.77Å; Q96-L99 HydrophobicContact CB-CD1 4.08Å; Q96-L99 HydrophobicContact CB-CG 4.45Å; Q96-L99 HydrophobicContact CG-CD1 4.33Å; Q96-L99 VanDerWaalsContact O-CB 3.32Å; Q96-L99 WeakPolarHBondContact O-CB 3.49Å; Q96-L99 PolarHBondContact O-N 3.48Å
97S70.3Confident77.9Confident35 Ų3555.7 Ų55.725%0.24528%0.282CS..G310 helixtrans-58-13168.763.60000113.8P94 I95P94-S97 VanDerWaalsContact O-CB 3.22Å; P94-S97 WeakPolarHBondContact O-CB 3.18Å; P94-S97 PolarHBondContact O-N 3.46Å; P94-S97 VanDerWaalsContact O-N 3.16Å; P94-S97 PolarHBondContact O-OG 3.48Å; I95-S97 PolarHBondContact O-N 2.73Å
98H73.5Confident77.3Confident128 Ų12856.7 Ų56.759%0.59329%0.289SS*.G310 helixtrans-73.7-30168.9-62.2-16.5000113.3I95 Q96 L100 K101I95-H98 PolarHBondContact O-N 3.36Å; Q96-H98 PolarHBondContact O-N 2.77Å; H98-L100 VanDerWaalsContact C-N 3.3Å; H98-L100 PolarHBondContact O-N 3.32Å; H98-K101 WeakPolarHBondContact O-CB 3.35Å; H98-K101 PolarHBondContact O-N 2.96Å
99L77.6Confident76.8Confident58 Ų5855.1 Ų55.130%0.30428%0.282SS..THydrogen-bonded Turntrans-70.7-25.8-179.9-55.7-179.9000112.4L67 Q96 K101 F102L67-L99 HydrophobicContact CB-CB 4.33Å; L67-L99 HydrophobicContact CB-CD1 3.76Å; L67-L99 HydrophobicContact CD2-CB 4.4Å; Q96-L99 HydrophobicContact CB-CD1 4.08Å; Q96-L99 HydrophobicContact CB-CG 4.45Å; Q96-L99 HydrophobicContact CG-CD1 4.33Å; Q96-L99 VanDerWaalsContact O-CB 3.32Å; Q96-L99 WeakPolarHBondContact O-CB 3.49Å; Q96-L99 PolarHBondContact O-N 3.48Å; L99-K101 PolarHBondContact O-N 3.43Å; L99-F102 PolarHBondContact O-N 2.91Å
100L77.8Confident76.2Confident1 Ų157.5 Ų57.51%0.00530%0.295CS..Hα-helixtrans-48.7-29.5171.4-80.5164.7000113.4V39 F41 I90 H98 F102 V103 I104 I136 H140V39-L100 HydrophobicContact CG1-CD2 4.31Å; F41-L100 HydrophobicContact CE1-CD1 4.14Å; F41-L100 HydrophobicContact CE1-CD2 3.64Å; F41-L100 HydrophobicContact CE1-CG 4.43Å; F41-L100 HydrophobicContact CZ-CD2 3.66Å; I90-L100 HydrophobicContact CD1-CD2 3.32Å; I90-L100 HydrophobicContact CD1-CG 3.83Å; H98-L100 VanDerWaalsContact C-N 3.3Å; H98-L100 PolarHBondContact O-N 3.32Å; L100-F102 PolarHBondContact O-N 2.87Å; L100-F102 VanDerWaalsContact O-N 3.14Å; L100-V103 PolarHBondContact O-N 2.81Å; L100-I104 HydrophobicContact CD2-CD1 3.82Å; L100-I104 HydrophobicContact CD2-CG1 4.13Å; L100-I104 PolarHBondContact O-N 2.87Å; L100-I136 HydrophobicContact CD1-CG2 3.63Å; L100-H140 VanDerWaalsContact C-CE1 3.42Å; L100-H140 VanDerWaalsContact CB-CE1 3.43Å; L100-H140 WeakPolarHBondContact CB-CE1 3.44Å; L100-H140 VanDerWaalsContact CB-ND1 3.31Å; L100-H140 WeakPolarHBondContact CB-ND1 3.46Å; L100-H140 HydrophobicContact CD1-CB 4.28Å
101K74.9Confident76Confident132 Ų13260.1 Ų60.157%0.57431%0.309SS*.Hα-helixtrans-67.9-11.9-178.6-156.7-131.1170.3-168.30113.8H98 L99 H140H98-K101 WeakPolarHBondContact O-CB 3.35Å; H98-K101 PolarHBondContact O-N 2.96Å; L99-K101 PolarHBondContact O-N 3.43Å; K101-H140 VanDerWaalsContact CA-CE1 3.46Å; K101-H140 WeakPolarHBondContact CA-CE1 3.49Å; K101-H140 PolarHBondContact N-CE1 3.47Å
102F72.7Confident76.1Confident149 Ų14959 Ų5965%0.65430%0.303SS*.Hα-helixtrans-100.6-19.5173.9-56.9-73.4000112.5L99 L100L99-F102 PolarHBondContact O-N 2.91Å; L100-F102 PolarHBondContact O-N 2.87Å; L100-F102 VanDerWaalsContact O-N 3.14Å
103V79Confident76.8Confident4 Ų459 Ų592%0.02430%0.303CS..Hα-helixtrans-90.7-51178.8-176.80000110.6V39 L67 F88 L100 T105V39-V103 HydrophobicContact CB-CG1 4.33Å; V39-V103 HydrophobicContact CG1-CG1 3.96Å; V39-V103 HydrophobicContact CG2-CG1 3.48Å; V39-V103 VanDerWaalsContact CG2-CG1 3.48Å; L67-V103 HydrophobicContact CD1-CG2 3.73Å; L67-V103 HydrophobicContact CD2-CG2 3.8Å; L67-V103 HydrophobicContact CG-CG2 4.44Å; F88-V103 HydrophobicContact CB-CG1 3.65Å; F88-V103 HydrophobicContact CB-CG2 4.07Å; F88-V103 HydrophobicContact CD1-CB 4.45Å; F88-V103 HydrophobicContact CD1-CG1 4.1Å; F88-V103 HydrophobicContact CD1-CG2 3.74Å; F88-V103 HydrophobicContact CD2-CG1 3.73Å; F88-V103 HydrophobicContact CE1-CG2 4.38Å; F88-V103 HydrophobicContact CE2-CG1 4.37Å; F88-V103 HydrophobicContact CG-CB 4.37Å; F88-V103 HydrophobicContact CG-CG1 3.56Å; F88-V103 HydrophobicContact CG-CG2 3.99Å; L100-V103 PolarHBondContact O-N 2.81Å; V103-T105 PolarHBondContact O-N 2.99Å
104I78.5Confident77.5Confident4 Ų456.1 Ų56.12%0.02129%0.288CS..SBendtrans-92.687.1-179.4-50.6-171.4000108.1L100 F109 L144L100-I104 HydrophobicContact CD2-CD1 3.82Å; L100-I104 HydrophobicContact CD2-CG1 4.13Å; L100-I104 PolarHBondContact O-N 2.87Å; I104-F109 HydrophobicContact CG2-CD2 4.14Å; I104-L144 HydrophobicContact CB-CD1 4.17Å; I104-L144 HydrophobicContact CG2-CD1 3.34Å; I104-L144 WeakPolarHBondContact O-CD1 3.32Å
105T76.7Confident78.5Confident51 Ų5152.7 Ų52.731%0.31327%0.265SS..  trans-90.2159.4173.6710000111.7V103 D107 S108 F109V103-T105 PolarHBondContact O-N 2.99Å; T105-D107 VanDerWaalsContact C-N 3.28Å; T105-D107 PolarHBondContact O-N 2.98Å; T105-S108 PolarHBondContact O-N 3.09Å; T105-S108 WeakPolarHBondContact OG1-CB 3.38Å; T105-S108 PolarHBondContact OG1-N 3.29Å; T105-S108 PolarHBondContact OG1-OG 2.91Å; T105-F109 PolarHBondContact O-N 3.33Å
106E76.5Confident79.5Confident88 Ų8846.3 Ų46.341%0.41123%0.233SC..THydrogen-bonded Turntrans-65.7-31.8-178.8-65.6178.8174.100112.1L144 K145 L146E106-L144 HydrophobicContact CG-CB 4.25Å; E106-L144 HydrophobicContact CG-CD2 4.22Å; E106-K145 PolarHBondContact OE1-N 3.36Å; E106-L146 HydrophobicContact CB-CD2 4.09Å; E106-L146 HydrophobicContact CG-CD2 4.25Å
107D74.3Confident80.7Confident148 Ų14844.8 Ų44.879%0.79123%0.225SC*.THydrogen-bonded Turntrans-76.7-41.2177.3-51.2-67.9000113.1T105 F109T105-D107 VanDerWaalsContact C-N 3.28Å; T105-D107 PolarHBondContact O-N 2.98Å; D107-F109 VanDerWaalsContact C-N 3.35Å; D107-F109 PolarHBondContact O-N 3.06Å
108S76.9Confident81.9Confident20 Ų2043.6 Ų43.614%0.1422%0.216CC..G310 helixtrans-86.1-3-173.465.80000114.4T105 N110 D111 Q112T105-S108 PolarHBondContact O-N 3.09Å; T105-S108 WeakPolarHBondContact OG1-CB 3.38Å; T105-S108 PolarHBondContact OG1-N 3.29Å; T105-S108 PolarHBondContact OG1-OG 2.91Å; S108-N110 PolarHBondContact O-N 2.9Å; S108-N110 VanDerWaalsContact O-N 3.16Å; S108-D111 PolarHBondContact O-N 2.94Å; S108-Q112 VanDerWaalsContact C-NE2 3.32Å; S108-Q112 WeakPolarHBondContact O-CG 3.28Å; S108-Q112 PolarHBondContact O-N 3.21Å; S108-Q112 PolarHBondContact O-NE2 3.4Å; S108-Q112 PolarHBondContact OG-NE2 3.21Å
109F78.6Confident82.8Confident1 Ų138.1 Ų38.10%0.00419%0.193CC..G310 helixtrans-55.3-32.9-177.6-173.7-104.2000114I104 T105 D107 D111 I141 L146 C154 V223I104-F109 HydrophobicContact CG2-CD2 4.14Å; T105-F109 PolarHBondContact O-N 3.33Å; D107-F109 VanDerWaalsContact C-N 3.35Å; D107-F109 PolarHBondContact O-N 3.06Å; F109-D111 VanDerWaalsContact C-N 3.33Å; F109-D111 PolarHBondContact O-N 2.9Å; F109-I141 HydrophobicContact CE2-CD1 3.73Å; F109-I141 HydrophobicContact CE2-CG1 3.87Å; F109-I141 HydrophobicContact CE2-CG2 4.32Å; F109-I141 HydrophobicContact CZ-CD1 4.05Å; F109-I141 HydrophobicContact CZ-CG1 4.47Å; F109-I141 HydrophobicContact CZ-CG2 4.27Å; F109-L146 HydrophobicContact CB-CD2 4.05Å; F109-L146 HydrophobicContact CD1-CD1 3.83Å; F109-L146 HydrophobicContact CD1-CD2 4.28Å; F109-L146 HydrophobicContact CD2-CD1 3.84Å; F109-L146 HydrophobicContact CE1-CD1 3.89Å; F109-L146 HydrophobicContact CE2-CD1 3.9Å; F109-L146 HydrophobicContact CG-CD1 3.81Å; F109-L146 HydrophobicContact CG-CD2 4.13Å; F109-L146 HydrophobicContact CZ-CD1 3.92Å; F109-C154 HydrophobicContact CE1-CB 4.07Å; F109-V223 HydrophobicContact CD2-CG2 4.07Å; F109-V223 HydrophobicContact CE2-CG2 3.33Å; F109-V223 HydrophobicContact CZ-CG2 3.65Å
110N78.6Confident83.4Confident52 Ų5235.4 Ų35.428%0.27818%0.178SC..G310 helixtrans-68.3-30.2178.4-81.9-9.2000114.2S108 M150 C154 R157S108-N110 PolarHBondContact O-N 2.9Å; S108-N110 VanDerWaalsContact O-N 3.16Å; N110-M150 WeakPolarHBondContact ND2-CE 3.26Å; N110-C154 PolarHBondContact OD1-SG 3.35Å; N110-R157 PolarHBondContact O-NH1 2.9Å; N110-R157 PolarHBondContact O-NH2 3.04Å
111D81.8Confident83.8Confident59 Ų5939 Ų3932%0.31620%0.198SC..G310 helixtrans-106.315.5-170.7-828.6000111.8S35 K36 N37 S108 F109S35-D111 WeakPolarHBondContact CB-OD2 3.32Å; S35-D111 PolarHBondContact OG-OD2 3.15Å; K36-D111 WeakPolarHBondContact CA-O 3.36Å; K36-D111 HydrophobicContact CG-CB 4.1Å; N37-D111 PolarHBondContact N-O 2.79Å; S108-D111 PolarHBondContact O-N 2.94Å; F109-D111 VanDerWaalsContact C-N 3.33Å; F109-D111 PolarHBondContact O-N 2.9Å
112Q86.1Confident84.3Confident4 Ų435.8 Ų35.82%0.01919%0.185CC..EExtended strand (participates in β ladder)trans-96.3151.7-179.8-85.5168.743.200113.5N37 S108 V223 P224N37-Q112 HydrophobicContact CB-CG 3.86Å; N37-Q112 CarbonylContact O-C 3.54Å; N37-Q112 VanDerWaalsContact O-CA 3.31Å; N37-Q112 WeakPolarHBondContact O-CA 3.48Å; S108-Q112 VanDerWaalsContact C-NE2 3.32Å; S108-Q112 WeakPolarHBondContact O-CG 3.28Å; S108-Q112 PolarHBondContact O-N 3.21Å; S108-Q112 PolarHBondContact O-NE2 3.4Å; S108-Q112 PolarHBondContact OG-NE2 3.21Å; Q112-V223 HydrophobicContact CB-CG1 4.37Å; Q112-P224 VanDerWaalsContact O-CD 3.28Å; Q112-P224 WeakPolarHBondContact O-CD 3.47Å; Q112-P224 WeakPolarHBondContact O-CG 3.38Å
113M89.4Confident84.9Confident2 Ų228.8 Ų28.81%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-134.7142169.8-174.4166-73.200109.6N37 L38 V39 P224 I226 I285 R288 I289N37-M113 PolarHBondContact O-N 3.29Å; L38-M113 HydrophobicContact CD1-CB 3.91Å; L38-M113 HydrophobicContact CD1-CG 3.85Å; L38-M113 HydrophobicContact CD1-SD 4.18Å; V39-M113 PolarHBondContact N-O 3.02Å; M113-P224 HydrophobicContact CB-CG 4.39Å; M113-P224 HydrophobicContact CE-CB 4.23Å; M113-P224 HydrophobicContact CE-CG 4.03Å; M113-P224 HydrophobicContact CG-CG 4.4Å; M113-I226 HydrophobicContact CG-CD1 4.46Å; M113-I226 HydrophobicContact SD-CD1 3.58Å; M113-I226 VanDerWaalsContact SD-CD1 3.58Å; M113-I226 HydrophobicContact SD-CG1 4.34Å; M113-I285 HydrophobicContact SD-CG1 4.41Å; M113-I285 HydrophobicContact SD-CG2 4.39Å; M113-R288 HydrophobicContact CE-CB 3.32Å; M113-R288 HydrophobicContact CE-CG 4.36Å; M113-I289 HydrophobicContact CB-CD1 4.09Å; M113-I289 HydrophobicContact CB-CG1 4.34Å; M113-I289 HydrophobicContact CE-CD1 4.23Å; M113-I289 HydrophobicContact CE-CG1 3.43Å; M113-I289 VanDerWaalsContact CE-CG1 3.43Å; M113-I289 HydrophobicContact SD-CD1 3.93Å; M113-I289 HydrophobicContact SD-CG1 3.77Å
114A91.8Very high85.2Confident3 Ų330.4 Ų30.43%0.02516%0.16CC..EExtended strand (participates in β ladder)trans-117.7124179.200000111.6V39 F41 L137 V223 P224 L225 I226V39-A114 WeakPolarHBondContact O-CA 3.36Å; F41-A114 HydrophobicContact CD2-CB 4.32Å; F41-A114 HydrophobicContact CE2-CB 3.8Å; A114-L137 HydrophobicContact CB-CD1 3.61Å; A114-V223 HydrophobicContact CB-CG1 4.01Å; A114-P224 PolarHBondContact N-O 3.26Å; A114-L225 HydrophobicContact CB-CD2 3.63Å; A114-L225 WeakPolarHBondContact O-CA 3.21Å; A114-I226 PolarHBondContact O-N 3.47Å
115L93.7Very high85.6Confident0 Ų033.5 Ų33.50%017%0.173CC..EExtended strand (participates in β ladder)trans-112.2112.3-176.217561.3000109.3L38 V39 V40 F41 V117 I226 V228L38-L115 HydrophobicContact CD1-CB 4Å; L38-L115 HydrophobicContact CD2-CD2 4.43Å; V39-L115 PolarHBondContact O-N 3.48Å; V40-L115 WeakPolarHBondContact CA-O 3.22Å; V40-L115 HydrophobicContact CG1-CD2 4.22Å; V40-L115 HydrophobicContact CG1-CG 4.42Å; V40-L115 HydrophobicContact CG2-CD2 4.29Å; F41-L115 PolarHBondContact N-O 3.21Å; L115-V117 HydrophobicContact CD1-CG2 4.46Å; L115-V117 HydrophobicContact CD2-CG2 4.17Å; L115-V117 HydrophobicContact CG-CG2 3.83Å; L115-I226 CarbonylContact C-O 3.57Å; L115-I226 WeakPolarHBondContact CA-O 3.44Å; L115-I226 HydrophobicContact CD1-CB 3.86Å; L115-I226 HydrophobicContact CD1-CG2 3.77Å; L115-V228 HydrophobicContact CD1-CB 4.23Å; L115-V228 HydrophobicContact CD1-CG2 3.59Å
116M93.4Very high86.3Confident1 Ų131.1 Ų31.11%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-94.9114.9175.6-64.1-166.5-125.200110.5F41 L130 W133 A134 L225 I226 V227 V228 F259F41-M116 HydrophobicContact CB-CG 4.4Å; M116-L130 HydrophobicContact CB-CD2 4.06Å; M116-L130 HydrophobicContact SD-CD2 4.13Å; M116-W133 HydrophobicContact CG-CB 4.49Å; M116-W133 HydrophobicContact SD-CB 3.92Å; M116-A134 HydrophobicContact CE-CB 4.12Å; M116-L225 HydrophobicContact CE-CD1 4.3Å; M116-L225 HydrophobicContact CE-CD2 3.73Å; M116-I226 PolarHBondContact N-O 3.48Å; M116-V227 HydrophobicContact CB-CG2 4.47Å; M116-V227 WeakPolarHBondContact O-CA 3.35Å; M116-V228 PolarHBondContact O-N 3.38Å; M116-F259 HydrophobicContact CE-CE1 4.17Å; M116-F259 HydrophobicContact CE-CZ 4.14Å; M116-F259 HydrophobicContact SD-CE1 4.45Å; M116-F259 HydrophobicContact SD-CZ 4.32Å
117V93.9Very high86.9Confident0 Ų028 Ų280%015%0.145CC..EExtended strand (participates in β ladder)trans-109.1111.1-173.5-174.30000110.5V40 F41 G42 S46 K48 L51 L115 T230V40-V117 HydrophobicContact CG1-CG2 3.58Å; F41-V117 WeakPolarHBondContact O-CB 3.31Å; F41-V117 PolarHBondContact O-N 2.85Å; G42-V117 VanDerWaalsContact CA-O 3.26Å; G42-V117 WeakPolarHBondContact CA-O 3.22Å; S46-V117 WeakPolarHBondContact CB-O 3.49Å; S46-V117 PolarHBondContact OG-O 2.82Å; K48-V117 HydrophobicContact CG-CB 4.23Å; K48-V117 HydrophobicContact CG-CG1 4.39Å; L51-V117 HydrophobicContact CD2-CG1 4.31Å; L51-V117 HydrophobicContact CD2-CG2 4.24Å; L115-V117 HydrophobicContact CD1-CG2 4.46Å; L115-V117 HydrophobicContact CD2-CG2 4.17Å; L115-V117 HydrophobicContact CG-CG2 3.83Å; V117-T230 HydrophobicContact CG1-CG2 3.38Å
118V93.7Very high87.6Confident10 Ų1024.7 Ų24.76%0.06112%0.124CC..EExtended strand (participates in β ladder)trans-129.1142.3-174.2-169.30000109.8I126 A129 L130 V228 V229 T230V118-I126 HydrophobicContact CG1-CB 4.12Å; V118-I126 HydrophobicContact CG1-CG1 3.91Å; V118-I126 HydrophobicContact CG1-CG2 4Å; V118-A129 HydrophobicContact CG1-CB 4.27Å; V118-L130 HydrophobicContact CG2-CD2 3.67Å; V118-L130 HydrophobicContact CG2-CG 4.02Å; V118-V228 PolarHBondContact N-O 2.75Å; V118-V229 CarbonylContact O-C 3.56Å; V118-V229 VanDerWaalsContact O-CA 3.27Å; V118-V229 WeakPolarHBondContact O-CA 3.17Å; V118-T230 PolarHBondContact O-N 3.43Å; V118-T230 PolarHBondContact O-OG1 3.04Å
119S92.3Very high88.3Confident14 Ų1423.9 Ų23.910%0.09812%0.119CC..EExtended strand (participates in β ladder)trans-104.3136.1-172.1-166.70000113.4N121 T230 K231S119-N121 PolarHBondContact O-N 2.87Å; S119-N121 VanDerWaalsContact O-N 3.12Å; S119-T230 VanDerWaalsContact CA-OG1 3.3Å; S119-T230 WeakPolarHBondContact CA-OG1 3.32Å; S119-T230 VanDerWaalsContact CB-OG1 3.31Å; S119-T230 WeakPolarHBondContact CB-OG1 3.28Å; S119-T230 PolarHBondContact OG-O 3.31Å; S119-T230 PolarHBondContact OG-OG1 3.34Å; S119-K231 WeakPolarHBondContact OG-CD 3.43Å; S119-K231 VanDerWaalsContact OG-CE 3.29Å; S119-K231 WeakPolarHBondContact OG-CE 3.41Å; S119-K231 PolarHBondContact OG-NZ 3.12Å
120I90.3Very high88.9Confident0 Ų023.9 Ų23.90%012%0.119CC..THydrogen-bonded Turntrans-66.1-10.8176.2-160.564.8000113.5E122 P123 I126 V229 T230 K231 L234 M235 F249 I252I120-E122 PolarHBondContact O-N 2.89Å; I120-P123 WeakPolarHBondContact O-CD 3.4Å; I120-I126 HydrophobicContact CD1-CD1 3.84Å; I120-V229 HydrophobicContact CB-CG1 4.12Å; I120-V229 HydrophobicContact CD1-CG1 4.38Å; I120-T230 PolarHBondContact N-O 3.11Å; I120-K231 HydrophobicContact CG2-CB 4.48Å; I120-K231 WeakPolarHBondContact CG2-O 3.25Å; I120-L234 HydrophobicContact CG2-CB 4.16Å; I120-M235 HydrophobicContact CB-CE 4.14Å; I120-M235 HydrophobicContact CD1-CE 3.8Å; I120-M235 HydrophobicContact CG1-CE 3.58Å; I120-M235 HydrophobicContact CG1-CG 3.95Å; I120-M235 HydrophobicContact CG2-CE 4.45Å; I120-M235 HydrophobicContact CG2-CG 4.35Å; I120-F249 HydrophobicContact CD1-CD1 4.29Å; I120-F249 HydrophobicContact CD1-CE1 4.19Å; I120-F249 HydrophobicContact CG1-CE1 4.07Å; I120-I252 HydrophobicContact CD1-CD1 4.19Å; I120-I252 HydrophobicContact CD1-CG2 4.46Å
121N87Confident89.5Confident77 Ų7726.3 Ų26.341%0.41213%0.129SC..THydrogen-bonded Turntrans-61.8-26.6179-173.571.9000113.8S119 L234 M238S119-N121 PolarHBondContact O-N 2.87Å; S119-N121 VanDerWaalsContact O-N 3.12Å; N121-L234 HydrophobicContact CB-CD1 3.82Å; N121-M238 WeakPolarHBondContact O-CE 3.29Å
122E85.3Confident89.9Confident65 Ų6526.4 Ų26.430%0.30413%0.126SC..SBendtrans-128.169.7178.4-63.8-167.998.200110.3I120 W124 K125I120-E122 PolarHBondContact O-N 2.89Å; E122-W124 HydrophobicContact CB-CD2 4.49Å; E122-W124 HydrophobicContact CB-CH2 4.18Å; E122-W124 HydrophobicContact CB-CZ2 3.65Å; E122-W124 HydrophobicContact CG-CH2 4.1Å; E122-W124 HydrophobicContact CG-CZ2 3.57Å; E122-W124 PolarHBondContact O-N 2.86Å; E122-W124 VanDerWaalsContact O-N 3.12Å; E122-K125 HydrophobicContact CB-CB 4.41Å; E122-K125 HydrophobicContact CB-CD 4.27Å; E122-K125 HydrophobicContact CB-CG 4.26Å; E122-K125 VanDerWaalsContact CD-CE 3.46Å; E122-K125 PolarHBondContact O-N 2.84Å; E122-K125 WeakPolarHBondContact OE1-CE 3.31Å; E122-K125 IonicContact OE1-NZ 2.68Å; E122-K125 PolarHBondContact OE1-NZ 3.36Å; E122-K125 WeakPolarHBondContact OE2-CE 3.27Å; E122-K125 IonicContact OE2-NZ 2.74Å; E122-K125 PolarHBondContact OE2-NZ 2.88Å
123P85.1Confident90Very high1 Ų126.4 Ų26.41%0.00613%0.126CC..G310 helixtrans-57.3-36.7-169.122.6-33.8000112.3I120 K125 I126 M238 I252 F334 I338I120-P123 WeakPolarHBondContact O-CD 3.4Å; P123-K125 PolarHBondContact O-N 2.57Å; P123-K125 VanDerWaalsContact O-N 3.14Å; P123-I126 HydrophobicContact CB-CD1 4.35Å; P123-I126 WeakPolarHBondContact O-CB 3.25Å; P123-I126 WeakPolarHBondContact O-CG1 3.36Å; P123-I126 PolarHBondContact O-N 2.82Å; P123-M238 HydrophobicContact CG-CE 4.28Å; P123-I252 HydrophobicContact CB-CD1 3.72Å; P123-F334 WeakPolarHBondContact O-CE1 3.43Å; P123-F334 WeakPolarHBondContact O-CZ 3.5Å; P123-I338 HydrophobicContact CB-CD1 4.49Å; P123-I338 HydrophobicContact CB-CG2 4.13Å; P123-I338 HydrophobicContact CG-CG2 4.01Å
124W86Confident90Very high38 Ų3826.3 Ų26.314%0.14413%0.125CC..G310 helixtrans-60.6-18.6176.659.682.2000114.9E122 I338 R340 P341E122-W124 HydrophobicContact CB-CD2 4.49Å; E122-W124 HydrophobicContact CB-CH2 4.18Å; E122-W124 HydrophobicContact CB-CZ2 3.65Å; E122-W124 HydrophobicContact CG-CH2 4.1Å; E122-W124 HydrophobicContact CG-CZ2 3.57Å; E122-W124 PolarHBondContact O-N 2.86Å; E122-W124 VanDerWaalsContact O-N 3.12Å; W124-I338 HydrophobicContact CB-CG2 4.11Å; W124-R340 HydrophobicContact CB-CG 4.04Å; W124-R340 HydrophobicContact CG-CB 4.17Å; W124-R340 HydrophobicContact CG-CG 3.98Å; W124-P341 HydrophobicContact CD2-CG 4.29Å; W124-P341 VanDerWaalsContact CE2-CD 3.44Å; W124-P341 VanDerWaalsContact CE3-CD 3.42Å; W124-P341 HydrophobicContact CE3-CG 4.18Å; W124-P341 HydrophobicContact CH2-CG 3.55Å; W124-P341 HydrophobicContact CZ2-CG 3.62Å; W124-P341 HydrophobicContact CZ3-CG 3.81Å
125K87Confident89.8Confident69 Ų6931.1 Ų31.130%0.315%0.148SC..G310 helixtrans-92.6-15.2174.6-65.8-171.2-171.5164.60113.7E122 P123 I127 E128 A129E122-K125 HydrophobicContact CB-CB 4.41Å; E122-K125 HydrophobicContact CB-CD 4.27Å; E122-K125 HydrophobicContact CB-CG 4.26Å; E122-K125 VanDerWaalsContact CD-CE 3.46Å; E122-K125 PolarHBondContact O-N 2.84Å; E122-K125 WeakPolarHBondContact OE1-CE 3.31Å; E122-K125 IonicContact OE1-NZ 2.68Å; E122-K125 PolarHBondContact OE1-NZ 3.36Å; E122-K125 WeakPolarHBondContact OE2-CE 3.27Å; E122-K125 IonicContact OE2-NZ 2.74Å; E122-K125 PolarHBondContact OE2-NZ 2.88Å; P123-K125 PolarHBondContact O-N 2.57Å; P123-K125 VanDerWaalsContact O-N 3.14Å; K125-I127 PolarHBondContact O-N 2.8Å; K125-E128 PolarHBondContact O-N 2.97Å; K125-A129 WeakPolarHBondContact O-CB 3.17Å; K125-A129 PolarHBondContact O-N 3.32Å
126I90.2Very high89.5Confident1 Ų132.3 Ų32.31%0.00515%0.153CC..Hα-helixtrans-57.2-49.9-162.9-67.8177.8000112.3V118 I120 P123 A129 L130 I252 I256V118-I126 HydrophobicContact CG1-CB 4.12Å; V118-I126 HydrophobicContact CG1-CG1 3.91Å; V118-I126 HydrophobicContact CG1-CG2 4Å; I120-I126 HydrophobicContact CD1-CD1 3.84Å; P123-I126 HydrophobicContact CB-CD1 4.35Å; P123-I126 WeakPolarHBondContact O-CB 3.25Å; P123-I126 WeakPolarHBondContact O-CG1 3.36Å; P123-I126 PolarHBondContact O-N 2.82Å; I126-A129 PolarHBondContact O-N 3.49Å; I126-L130 HydrophobicContact CG2-CD1 4.02Å; I126-L130 WeakPolarHBondContact O-CG 3.48Å; I126-L130 PolarHBondContact O-N 2.87Å; I126-I252 HydrophobicContact CD1-CG2 4.23Å; I126-I256 HydrophobicContact CG2-CD1 3.8Å; I126-I256 HydrophobicContact CG2-CG1 3.97Å
127I89.9Confident89.2Confident23 Ų2332.3 Ų32.312%0.11815%0.153CC..Hα-helixtrans-66.8-46.4-179.3-56.6-175.4000110.7K125 A129 L130 E131 H255 F334K125-I127 PolarHBondContact O-N 2.8Å; I127-A129 VanDerWaalsContact C-N 3.25Å; I127-A129 PolarHBondContact O-N 2.97Å; I127-L130 PolarHBondContact O-N 2.81Å; I127-L130 VanDerWaalsContact O-N 3.13Å; I127-E131 HydrophobicContact CG2-CG 4.15Å; I127-E131 WeakPolarHBondContact CG2-OE1 3.02Å; I127-E131 WeakPolarHBondContact O-CB 3.44Å; I127-E131 WeakPolarHBondContact O-CG 3.3Å; I127-E131 PolarHBondContact O-N 2.65Å; I127-H255 HydrophobicContact CD1-CB 3.59Å; I127-H255 HydrophobicContact CG1-CB 4.46Å; I127-F334 HydrophobicContact CB-CD1 4.45Å; I127-F334 HydrophobicContact CD1-CB 3.68Å; I127-F334 HydrophobicContact CD1-CD1 3.73Å; I127-F334 HydrophobicContact CD1-CD2 3.45Å; I127-F334 VanDerWaalsContact CD1-CD2 3.45Å; I127-F334 HydrophobicContact CD1-CE1 4.13Å; I127-F334 HydrophobicContact CD1-CE2 3.9Å; I127-F334 HydrophobicContact CD1-CG 3.35Å; I127-F334 HydrophobicContact CD1-CZ 4.21Å; I127-F334 HydrophobicContact CG1-CD1 4.04Å; I127-F334 HydrophobicContact CG1-CD2 4.28Å; I127-F334 HydrophobicContact CG1-CE1 4.03Å; I127-F334 HydrophobicContact CG1-CE2 4.3Å; I127-F334 HydrophobicContact CG1-CG 4.16Å; I127-F334 HydrophobicContact CG1-CZ 4.17Å
128E89.3Confident88.8Confident79 Ų7935.1 Ų35.137%0.36917%0.169SC..Hα-helixtrans-59.3-37.1179-58.8-178.7-174.100112.2K125 K132 R340K125-E128 PolarHBondContact O-N 2.97Å; E128-K132 WeakPolarHBondContact O-CB 3.48Å; E128-K132 PolarHBondContact O-N 2.96Å; E128-R340 IonicContact OE1-CZ 2.68Å; E128-R340 IonicContact OE1-NE 3.65Å; E128-R340 IonicContact OE1-NH2 3.41Å; E128-R340 PolarHBondContact OE1-NH2 3.17Å; E128-R340 IonicContact OE2-CZ 3.35Å; E128-R340 IonicContact OE2-NH1 2.86Å; E128-R340 IonicContact OE2-NH2 3.32Å; E128-R340 PolarHBondContact OE2-NH2 3.31Å
129A90.7Very high88.4Confident3 Ų340.9 Ų40.93%0.02519%0.193CC..Hα-helixtrans-67.8-48.8174.100000111.2V118 K125 I126 I127 E131 K132 W133V118-A129 HydrophobicContact CG1-CB 4.27Å; K125-A129 WeakPolarHBondContact O-CB 3.17Å; K125-A129 PolarHBondContact O-N 3.32Å; I126-A129 PolarHBondContact O-N 3.49Å; I127-A129 VanDerWaalsContact C-N 3.25Å; I127-A129 PolarHBondContact O-N 2.97Å; A129-E131 PolarHBondContact O-N 2.77Å; A129-K132 WeakPolarHBondContact O-CB 3.46Å; A129-K132 PolarHBondContact O-N 2.95Å; A129-W133 WeakPolarHBondContact O-CB 3.09Å; A129-W133 PolarHBondContact O-N 2.8Å
130L91.7Very high87.9Confident1 Ų140.8 Ų40.81%0.00519%0.191CC..Hα-helixtrans-58.3-45177.4-73.5174.1000112.1M116 V118 I126 I127 W133 A134 V227 I256 F259M116-L130 HydrophobicContact CB-CD2 4.06Å; M116-L130 HydrophobicContact SD-CD2 4.13Å; V118-L130 HydrophobicContact CG2-CD2 3.67Å; V118-L130 HydrophobicContact CG2-CG 4.02Å; I126-L130 HydrophobicContact CG2-CD1 4.02Å; I126-L130 WeakPolarHBondContact O-CG 3.48Å; I126-L130 PolarHBondContact O-N 2.87Å; I127-L130 PolarHBondContact O-N 2.81Å; I127-L130 VanDerWaalsContact O-N 3.13Å; L130-W133 PolarHBondContact O-N 2.8Å; L130-A134 WeakPolarHBondContact O-CB 3.43Å; L130-A134 PolarHBondContact O-N 3.03Å; L130-V227 HydrophobicContact CD1-CG1 4.39Å; L130-V227 HydrophobicContact CD2-CG1 3.81Å; L130-V227 HydrophobicContact CD2-CG2 4.13Å; L130-I256 HydrophobicContact CD1-CG1 4.39Å; L130-I256 HydrophobicContact CD1-CG2 4.25Å; L130-F259 HydrophobicContact CB-CD1 4.34Å; L130-F259 HydrophobicContact CB-CD2 4.13Å; L130-F259 HydrophobicContact CB-CE1 3.96Å; L130-F259 HydrophobicContact CB-CE2 3.71Å; L130-F259 HydrophobicContact CB-CG 4.43Å; L130-F259 HydrophobicContact CB-CZ 3.63Å; L130-F259 HydrophobicContact CD1-CD1 4.1Å; L130-F259 HydrophobicContact CD1-CE1 4.36Å; L130-F259 HydrophobicContact CD1-CG 4.32Å; L130-F259 HydrophobicContact CD2-CE1 4.07Å; L130-F259 HydrophobicContact CD2-CZ 4.44Å; L130-F259 HydrophobicContact CG-CE1 4.35Å; L130-F259 HydrophobicContact CG-CZ 4.49Å; L130-F259 WeakPolarHBondContact O-CZ 3.37Å
131E90.6Very high87.5Confident103 Ų10341.3 Ų41.348%0.48119%0.194SC..Hα-helixtrans-65.1-46.4176-70.2174.816900111.7I127 A129 W133 A134 E135 F259I127-E131 HydrophobicContact CG2-CG 4.15Å; I127-E131 WeakPolarHBondContact CG2-OE1 3.02Å; I127-E131 WeakPolarHBondContact O-CB 3.44Å; I127-E131 WeakPolarHBondContact O-CG 3.3Å; I127-E131 PolarHBondContact O-N 2.65Å; A129-E131 PolarHBondContact O-N 2.77Å; E131-W133 PolarHBondContact O-N 2.81Å; E131-A134 PolarHBondContact O-N 2.85Å; E131-E135 WeakPolarHBondContact O-CB 3.45Å; E131-E135 WeakPolarHBondContact O-CG 3.5Å; E131-E135 PolarHBondContact O-N 3.44Å; E131-F259 HydrophobicContact CG-CE2 4.3Å
132K89.9Confident87.2Confident60 Ų6043.6 Ų43.626%0.26121%0.206SC..Hα-helixtrans-53.2-49.1172.2166.1-164164.5-165.60111.7D43 G92 E128 A129 E135 I136D43-K132 IonicContact OD1-NZ 2.65Å; D43-K132 PolarHBondContact OD1-NZ 2.92Å; G92-K132 PolarHBondContact O-NZ 2.7Å; E128-K132 WeakPolarHBondContact O-CB 3.48Å; E128-K132 PolarHBondContact O-N 2.96Å; A129-K132 WeakPolarHBondContact O-CB 3.46Å; A129-K132 PolarHBondContact O-N 2.95Å; K132-E135 PolarHBondContact O-N 2.83Å; K132-I136 HydrophobicContact CG-CD1 3.92Å; K132-I136 WeakPolarHBondContact O-CB 3.47Å; K132-I136 WeakPolarHBondContact O-CD1 3.22Å; K132-I136 VanDerWaalsContact O-CG1 3.24Å; K132-I136 WeakPolarHBondContact O-CG1 3.27Å; K132-I136 PolarHBondContact O-N 2.82Å
133W89.3Confident87Confident4 Ų447.6 Ų47.62%0.01522%0.222CC..Hα-helixtrans-71.2-41.3-176.3-70.9118.7000112.1F41 G42 D43 G92 M116 A129 L130 E131 I136 L137F41-W133 HydrophobicContact CB-CB 4.43Å; F41-W133 HydrophobicContact CB-CD2 4.2Å; F41-W133 HydrophobicContact CB-CE3 4.17Å; F41-W133 HydrophobicContact CB-CG 4.29Å; F41-W133 AromaticContact CD1-CE3 3.73Å; F41-W133 HydrophobicContact CD1-CE3 3.73Å; F41-W133 HydrophobicContact CD1-CZ3 4.21Å; F41-W133 HydrophobicContact CG-CE3 4.44Å; G42-W133 VanDerWaalsContact O-CZ2 3.3Å; G42-W133 WeakPolarHBondContact O-CZ2 3.4Å; D43-W133 PolarHBondContact OD1-NE1 2.83Å; G92-W133 WeakPolarHBondContact O-CH2 3.35Å; G92-W133 WeakPolarHBondContact O-CZ2 3.35Å; M116-W133 HydrophobicContact CG-CB 4.49Å; M116-W133 HydrophobicContact SD-CB 3.92Å; A129-W133 WeakPolarHBondContact O-CB 3.09Å; A129-W133 PolarHBondContact O-N 2.8Å; L130-W133 PolarHBondContact O-N 2.8Å; E131-W133 PolarHBondContact O-N 2.81Å; W133-I136 HydrophobicContact CE3-CD1 3.85Å; W133-I136 HydrophobicContact CZ3-CD1 3.85Å; W133-I136 PolarHBondContact O-N 2.83Å; W133-L137 WeakPolarHBondContact O-CB 3.39Å; W133-L137 PolarHBondContact O-N 3.44Å
134A89Confident86.5Confident0 Ų048.6 Ų48.60%023%0.227CC..Hα-helixtrans-65.2-38.1172.900000112.8M116 L130 E131 L137 N138 F259 Y263M116-A134 HydrophobicContact CE-CB 4.12Å; L130-A134 WeakPolarHBondContact O-CB 3.43Å; L130-A134 PolarHBondContact O-N 3.03Å; E131-A134 PolarHBondContact O-N 2.85Å; A134-L137 PolarHBondContact O-N 2.87Å; A134-N138 WeakPolarHBondContact O-CB 3.26Å; A134-N138 PolarHBondContact O-N 3.43Å; A134-F259 HydrophobicContact CB-CE2 4.36Å; A134-F259 HydrophobicContact CB-CZ 3.97Å; A134-Y263 HydrophobicContact CB-CE1 3.76Å; A134-Y263 HydrophobicContact CB-CE2 4.24Å; A134-Y263 WeakPolarHBondContact CB-OH 3.39Å
135E88.2Confident85.6Confident105 Ų10555.7 Ų55.749%0.49126%0.259SS..Hα-helixtrans-61.5-46.5171.7-86.6-16017800111.9E131 K132 L137 N138 K139E131-E135 WeakPolarHBondContact O-CB 3.45Å; E131-E135 WeakPolarHBondContact O-CG 3.5Å; E131-E135 PolarHBondContact O-N 3.44Å; K132-E135 PolarHBondContact O-N 2.83Å; E135-L137 VanDerWaalsContact C-N 3.32Å; E135-L137 PolarHBondContact O-N 2.92Å; E135-N138 PolarHBondContact O-N 2.92Å; E135-K139 VanDerWaalsContact O-CB 3.22Å; E135-K139 WeakPolarHBondContact O-CB 3.09Å; E135-K139 WeakPolarHBondContact O-CD 3.41Å; E135-K139 WeakPolarHBondContact O-CG 3.45Å; E135-K139 PolarHBondContact O-N 3.41Å; E135-K139 IonicContact OE2-NZ 2.56Å; E135-K139 PolarHBondContact OE2-NZ 3.42Å
136I87.2Confident84.8Confident24 Ų2453.3 Ų53.312%0.12325%0.25CC..Hα-helixtrans-60.3-44.9178.4-73.5165.7000110.1P94 L100 K132 W133 K139 H140P94-I136 HydrophobicContact CB-CD1 4.5Å; L100-I136 HydrophobicContact CD1-CG2 3.63Å; K132-I136 HydrophobicContact CG-CD1 3.92Å; K132-I136 WeakPolarHBondContact O-CB 3.47Å; K132-I136 WeakPolarHBondContact O-CD1 3.22Å; K132-I136 VanDerWaalsContact O-CG1 3.24Å; K132-I136 WeakPolarHBondContact O-CG1 3.27Å; K132-I136 PolarHBondContact O-N 2.82Å; W133-I136 HydrophobicContact CE3-CD1 3.85Å; W133-I136 HydrophobicContact CZ3-CD1 3.85Å; W133-I136 PolarHBondContact O-N 2.83Å; I136-K139 PolarHBondContact O-N 3.32Å; I136-H140 WeakPolarHBondContact O-CB 3.41Å; I136-H140 PolarHBondContact O-N 2.98Å
137L86.3Confident83.9Confident1 Ų156.3 Ų56.31%0.00527%0.271CS..Hα-helixtrans-65-46.6179.2-155162.1000111.1F41 A114 W133 A134 E135 H140 I141 L221 L225F41-L137 HydrophobicContact CD2-CD1 4.27Å; F41-L137 HydrophobicContact CE1-CD1 4.36Å; F41-L137 HydrophobicContact CE2-CD1 3.56Å; F41-L137 HydrophobicContact CE2-CG 4.38Å; F41-L137 HydrophobicContact CZ-CD1 3.61Å; F41-L137 HydrophobicContact CZ-CG 3.93Å; A114-L137 HydrophobicContact CB-CD1 3.61Å; W133-L137 WeakPolarHBondContact O-CB 3.39Å; W133-L137 PolarHBondContact O-N 3.44Å; A134-L137 PolarHBondContact O-N 2.87Å; E135-L137 VanDerWaalsContact C-N 3.32Å; E135-L137 PolarHBondContact O-N 2.92Å; L137-H140 WeakPolarHBondContact O-CA 3.47Å; L137-H140 WeakPolarHBondContact O-CB 3.4Å; L137-H140 PolarHBondContact O-N 2.74Å; L137-H140 VanDerWaalsContact O-N 3.1Å; L137-I141 HydrophobicContact CD2-CD1 3.4Å; L137-I141 HydrophobicContact CD2-CG1 4.02Å; L137-I141 WeakPolarHBondContact O-CG1 3.47Å; L137-I141 PolarHBondContact O-N 3.29Å; L137-L221 HydrophobicContact CB-CD1 4.43Å; L137-L221 HydrophobicContact CD2-CD1 3.78Å; L137-L225 HydrophobicContact CD1-CD2 4.23Å
138N85.9Confident83.3Confident59 Ų5964 Ų6432%0.31630%0.303SS..Hα-helixtrans-61.7-45.5175.8-169.18.6000111.7A134 E135 H140 I141 N142 L221A134-N138 WeakPolarHBondContact O-CB 3.26Å; A134-N138 PolarHBondContact O-N 3.43Å; E135-N138 PolarHBondContact O-N 2.92Å; N138-H140 PolarHBondContact O-N 3.16Å; N138-I141 PolarHBondContact O-N 2.85Å; N138-N142 PolarHBondContact O-N 2.87Å; N138-N142 PolarHBondContact O-ND2 3.47Å; N138-N142 PolarHBondContact OD1-ND2 3.27Å; N138-L221 HydrophobicContact CB-CD2 3.82Å
139K85.4Confident82.8Confident131 Ų13167.5 Ų67.557%0.5732%0.32SS*.Hα-helixtrans-62.3-28.4173.9-72.8163.5-177.5170.30112.3E135 I136E135-K139 VanDerWaalsContact O-CB 3.22Å; E135-K139 WeakPolarHBondContact O-CB 3.09Å; E135-K139 WeakPolarHBondContact O-CD 3.41Å; E135-K139 WeakPolarHBondContact O-CG 3.45Å; E135-K139 PolarHBondContact O-N 3.41Å; E135-K139 IonicContact OE2-NZ 2.56Å; E135-K139 PolarHBondContact OE2-NZ 3.42Å; I136-K139 PolarHBondContact O-N 3.32Å
140H82Confident82.1Confident12 Ų1270 Ų706%0.05633%0.331CS..Hα-helixtrans-74.3-49.5174-159.682.7000112.2L100 K101 I136 L137 N138 N142 K143 L144L100-H140 VanDerWaalsContact C-CE1 3.42Å; L100-H140 VanDerWaalsContact CB-CE1 3.43Å; L100-H140 WeakPolarHBondContact CB-CE1 3.44Å; L100-H140 VanDerWaalsContact CB-ND1 3.31Å; L100-H140 WeakPolarHBondContact CB-ND1 3.46Å; L100-H140 HydrophobicContact CD1-CB 4.28Å; K101-H140 VanDerWaalsContact CA-CE1 3.46Å; K101-H140 WeakPolarHBondContact CA-CE1 3.49Å; K101-H140 PolarHBondContact N-CE1 3.47Å; I136-H140 WeakPolarHBondContact O-CB 3.41Å; I136-H140 PolarHBondContact O-N 2.98Å; L137-H140 WeakPolarHBondContact O-CA 3.47Å; L137-H140 WeakPolarHBondContact O-CB 3.4Å; L137-H140 PolarHBondContact O-N 2.74Å; L137-H140 VanDerWaalsContact O-N 3.1Å; N138-H140 PolarHBondContact O-N 3.16Å; H140-N142 VanDerWaalsContact C-N 3.34Å; H140-N142 PolarHBondContact O-N 2.85Å; H140-K143 WeakPolarHBondContact O-CA 3.32Å; H140-K143 WeakPolarHBondContact O-CB 3.38Å; H140-K143 PolarHBondContact O-N 3.49Å; H140-L144 PolarHBondContact O-N 3.43Å
141I81.5Confident81.4Confident12 Ų1272 Ų726%0.06234%0.342CS..Hα-helixtrans-59.5-44179.3-68.2177.6000111.1F109 L137 N138 K143 L144 L146 L221 V223F109-I141 HydrophobicContact CE2-CD1 3.73Å; F109-I141 HydrophobicContact CE2-CG1 3.87Å; F109-I141 HydrophobicContact CE2-CG2 4.32Å; F109-I141 HydrophobicContact CZ-CD1 4.05Å; F109-I141 HydrophobicContact CZ-CG1 4.47Å; F109-I141 HydrophobicContact CZ-CG2 4.27Å; L137-I141 HydrophobicContact CD2-CD1 3.4Å; L137-I141 HydrophobicContact CD2-CG1 4.02Å; L137-I141 WeakPolarHBondContact O-CG1 3.47Å; L137-I141 PolarHBondContact O-N 3.29Å; N138-I141 PolarHBondContact O-N 2.85Å; I141-K143 PolarHBondContact O-N 2.72Å; I141-K143 VanDerWaalsContact O-N 3.12Å; I141-L144 PolarHBondContact O-N 2.86Å; I141-L146 HydrophobicContact CG2-CD1 4.38Å; I141-L221 HydrophobicContact CD1-CB 4.03Å; I141-L221 WeakPolarHBondContact CD1-O 3.48Å; I141-V223 HydrophobicContact CD1-CG2 3.91Å
142N81.2Confident81Confident124 Ų12471.3 Ų71.366%0.66335%0.345SS*.THydrogen-bonded Turntrans-66.7-10.1176-69.3-63.2000114.4N138 H140N138-N142 PolarHBondContact O-N 2.87Å; N138-N142 PolarHBondContact O-ND2 3.47Å; N138-N142 PolarHBondContact OD1-ND2 3.27Å; H140-N142 VanDerWaalsContact C-N 3.34Å; H140-N142 PolarHBondContact O-N 2.85Å
143K81.1Confident80.6Confident150 Ų15071.3 Ų71.365%0.65236%0.356SS*.THydrogen-bonded Turntrans-94.4-21.8176.5-172.9176.4179.1179.20112.5H140 I141H140-K143 WeakPolarHBondContact O-CA 3.32Å; H140-K143 WeakPolarHBondContact O-CB 3.38Å; H140-K143 PolarHBondContact O-N 3.49Å; I141-K143 PolarHBondContact O-N 2.72Å; I141-K143 VanDerWaalsContact O-N 3.12Å
144L74.4Confident80.1Confident22 Ų2271.2 Ų71.212%0.11536%0.356CS..SBendtrans-77.4140.3170.3-61.5170.3000109I104 E106 H140 I141 L146I104-L144 HydrophobicContact CB-CD1 4.17Å; I104-L144 HydrophobicContact CG2-CD1 3.34Å; I104-L144 WeakPolarHBondContact O-CD1 3.32Å; E106-L144 HydrophobicContact CG-CB 4.25Å; E106-L144 HydrophobicContact CG-CD2 4.22Å; H140-L144 PolarHBondContact O-N 3.43Å; I141-L144 PolarHBondContact O-N 2.86Å; L144-L146 HydrophobicContact CB-CD1 4.28Å; L144-L146 HydrophobicContact CB-CG 4.05Å; L144-L146 PolarHBondContact O-N 3.25Å
145K66.4Low79.8Confident187 Ų18775.1 Ų75.181%0.81337%0.373SS*.  trans-91.436.8-176.5-66.5-175.1177-178.70112E106E106-K145 PolarHBondContact OE1-N 3.36Å
146L70.4Confident79.5Confident19 Ų1972.4 Ų72.410%0.09937%0.365CS..  trans-49.2139.4174.9-66.7167.5000110.5E106 F109 I141 L144 I151E106-L146 HydrophobicContact CB-CD2 4.09Å; E106-L146 HydrophobicContact CG-CD2 4.25Å; F109-L146 HydrophobicContact CB-CD2 4.05Å; F109-L146 HydrophobicContact CD1-CD1 3.83Å; F109-L146 HydrophobicContact CD1-CD2 4.28Å; F109-L146 HydrophobicContact CD2-CD1 3.84Å; F109-L146 HydrophobicContact CE1-CD1 3.89Å; F109-L146 HydrophobicContact CE2-CD1 3.9Å; F109-L146 HydrophobicContact CG-CD1 3.81Å; F109-L146 HydrophobicContact CG-CD2 4.13Å; F109-L146 HydrophobicContact CZ-CD1 3.92Å; I141-L146 HydrophobicContact CG2-CD1 4.38Å; L144-L146 HydrophobicContact CB-CD1 4.28Å; L144-L146 HydrophobicContact CB-CG 4.05Å; L144-L146 PolarHBondContact O-N 3.25Å; L146-I151 HydrophobicContact CB-CD1 3.88Å; L146-I151 HydrophobicContact CB-CG1 3.87Å; L146-I151 HydrophobicContact CD1-CG1 4.23Å
147S71.5Confident79.3Confident64 Ų6475.8 Ų75.845%0.44838%0.376SS..  trans-63.6145.4175.680.70000109.9E149 M150 I151S147-E149 PolarHBondContact O-N 3.25Å; S147-M150 WeakPolarHBondContact O-CB 3.5Å; S147-M150 PolarHBondContact O-N 3.31Å; S147-M150 VanDerWaalsContact O-N 3.15Å; S147-M150 WeakPolarHBondContact OG-CB 3.37Å; S147-M150 PolarHBondContact OG-N 3.49Å; S147-I151 PolarHBondContact O-N 2.93Å; S147-I151 VanDerWaalsContact O-N 3.08Å
148K76.9Confident79Confident183 Ų18376.2 Ų76.280%0.79638%0.379SS*.Hα-helixtrans-57.2-39.4177.4-68-176.6177.3-177.70111.1I151 T152K148-I151 PolarHBondContact O-N 3.22Å; K148-T152 PolarHBondContact O-N 3.21Å; K148-T152 PolarHBondContact O-OG1 2.89Å
149E78.2Confident78.8Confident154 Ų15474.6 Ų74.672%0.7237%0.372SS*.Hα-helixtrans-58.1-48.4176.2-67.7164.6-16500111.8S147 T152 A153S147-E149 PolarHBondContact O-N 3.25Å; E149-T152 VanDerWaalsContact CA-OG1 3.31Å; E149-T152 WeakPolarHBondContact CA-OG1 3.43Å; E149-T152 PolarHBondContact O-N 2.91Å; E149-T152 PolarHBondContact O-OG1 3.12Å; E149-A153 WeakPolarHBondContact O-CB 3.49Å; E149-A153 PolarHBondContact O-N 3.01Å
150M76.5Confident78.6Confident54 Ų5474.2 Ų74.227%0.26637%0.37SS..Hα-helixtrans-58.8-52.7175.9-167.676.713500110.3N110 S147 T152 A153 C154N110-M150 WeakPolarHBondContact ND2-CE 3.26Å; S147-M150 WeakPolarHBondContact O-CB 3.5Å; S147-M150 PolarHBondContact O-N 3.31Å; S147-M150 VanDerWaalsContact O-N 3.15Å; S147-M150 WeakPolarHBondContact OG-CB 3.37Å; S147-M150 PolarHBondContact OG-N 3.49Å; M150-T152 VanDerWaalsContact C-N 3.3Å; M150-T152 PolarHBondContact O-N 3.15Å; M150-A153 WeakPolarHBondContact O-CB 3.35Å; M150-A153 PolarHBondContact O-N 3.08Å; M150-C154 PolarHBondContact O-N 3.38Å; M150-C154 PolarHBondContact O-SG 3.1Å
151I78.2Confident78.5Confident44 Ų4476.5 Ų76.523%0.22638%0.381CS..Hα-helixtrans-55.8-44.9178.3-66.2164.3000111L146 S147 K148 A153 C154 K155L146-I151 HydrophobicContact CB-CD1 3.88Å; L146-I151 HydrophobicContact CB-CG1 3.87Å; L146-I151 HydrophobicContact CD1-CG1 4.23Å; S147-I151 PolarHBondContact O-N 2.93Å; S147-I151 VanDerWaalsContact O-N 3.08Å; K148-I151 PolarHBondContact O-N 3.22Å; I151-A153 PolarHBondContact O-N 3.4Å; I151-C154 PolarHBondContact O-N 3.14Å; I151-K155 HydrophobicContact CG2-CD 4.15Å; I151-K155 HydrophobicContact CG2-CG 4.38Å; I151-K155 WeakPolarHBondContact O-CB 3.46Å; I151-K155 VanDerWaalsContact O-CG 3.28Å; I151-K155 WeakPolarHBondContact O-CG 3.27Å; I151-K155 PolarHBondContact O-N 3.34Å
152T80.9Confident78.4Confident89 Ų8976.8 Ų76.855%0.54638%0.382SS..Hα-helixtrans-65.6-36177.246.80000113K148 E149 M150 S156K148-T152 PolarHBondContact O-N 3.21Å; K148-T152 PolarHBondContact O-OG1 2.89Å; E149-T152 VanDerWaalsContact CA-OG1 3.31Å; E149-T152 WeakPolarHBondContact CA-OG1 3.43Å; E149-T152 PolarHBondContact O-N 2.91Å; E149-T152 PolarHBondContact O-OG1 3.12Å; M150-T152 VanDerWaalsContact C-N 3.3Å; M150-T152 PolarHBondContact O-N 3.15Å; T152-S156 WeakPolarHBondContact O-CB 3.23Å; T152-S156 PolarHBondContact O-N 3.11Å
153A83Confident78.2Confident59 Ų5974.4 Ų74.449%0.48836%0.364SS..Hα-helixtrans-67.3-45.9175.700000111.6E149 M150 I151 S156 R157E149-A153 WeakPolarHBondContact O-CB 3.49Å; E149-A153 PolarHBondContact O-N 3.01Å; M150-A153 WeakPolarHBondContact O-CB 3.35Å; M150-A153 PolarHBondContact O-N 3.08Å; I151-A153 PolarHBondContact O-N 3.4Å; A153-S156 PolarHBondContact O-N 3.3Å; A153-R157 PolarHBondContact O-N 3.06Å
154C78.4Confident78Confident3 Ų370 Ų702%0.0236%0.362CS..Hα-helixtrans-62-45176.3-49.10000111.5F109 N110 M150 I151 R157 I158 G222F109-C154 HydrophobicContact CE1-CB 4.07Å; N110-C154 PolarHBondContact OD1-SG 3.35Å; M150-C154 PolarHBondContact O-N 3.38Å; M150-C154 PolarHBondContact O-SG 3.1Å; I151-C154 PolarHBondContact O-N 3.14Å; C154-R157 WeakPolarHBondContact O-CB 3.25Å; C154-R157 PolarHBondContact O-N 2.88Å; C154-I158 WeakPolarHBondContact O-CG1 3.39Å; C154-I158 PolarHBondContact O-N 2.68Å; C154-I158 VanDerWaalsContact O-N 3.09Å; C154-G222 VanDerWaalsContact CB-O 3.28Å; C154-G222 WeakPolarHBondContact CB-O 3.28Å
155K82.4Confident78Confident81 Ų8171.5 Ų71.535%0.35237%0.366SS..Hα-helixtrans-62-44175.2-71.3-172.2-173.1-141.90111.9I151 I158 S159 N220I151-K155 HydrophobicContact CG2-CD 4.15Å; I151-K155 HydrophobicContact CG2-CG 4.38Å; I151-K155 WeakPolarHBondContact O-CB 3.46Å; I151-K155 VanDerWaalsContact O-CG 3.28Å; I151-K155 WeakPolarHBondContact O-CG 3.27Å; I151-K155 PolarHBondContact O-N 3.34Å; K155-I158 PolarHBondContact O-N 3.36Å; K155-S159 PolarHBondContact O-N 3.34Å; K155-S159 PolarHBondContact O-OG 2.96Å; K155-N220 WeakPolarHBondContact CE-O 3.47Å; K155-N220 PolarHBondContact NZ-O 2.87Å; K155-N220 PolarHBondContact O-ND2 3.23Å
156S81Confident78.1Confident48 Ų4866.5 Ų66.534%0.33636%0.359SS..Hα-helixtrans-63.6-38.8176.8-171.20000112.2T152 A153 S159 K160T152-S156 WeakPolarHBondContact O-CB 3.23Å; T152-S156 PolarHBondContact O-N 3.11Å; A153-S156 PolarHBondContact O-N 3.3Å; S156-S159 PolarHBondContact O-N 3.43Å; S156-K160 WeakPolarHBondContact O-CB 3.49Å; S156-K160 VanDerWaalsContact O-CG 3.28Å; S156-K160 WeakPolarHBondContact O-CG 3.09Å; S156-K160 PolarHBondContact O-N 3.04Å
157R83.1Confident78Confident95 Ų9570.2 Ų70.236%0.35838%0.376SS..Hα-helixtrans-57.3-51.2172.7-170-178.577-163.3-3.4110.5N110 A153 C154 S159 K160 E161N110-R157 PolarHBondContact O-NH1 2.9Å; N110-R157 PolarHBondContact O-NH2 3.04Å; A153-R157 PolarHBondContact O-N 3.06Å; C154-R157 WeakPolarHBondContact O-CB 3.25Å; C154-R157 PolarHBondContact O-N 2.88Å; R157-S159 PolarHBondContact O-N 3.45Å; R157-K160 PolarHBondContact O-N 3.04Å; R157-E161 WeakPolarHBondContact CG-OE1 3.23Å; R157-E161 IonicContact NE-OE1 3.54Å; R157-E161 WeakPolarHBondContact O-CB 3.4Å; R157-E161 WeakPolarHBondContact O-CG 3.41Å; R157-E161 PolarHBondContact O-N 3.2Å
158I80.9Confident77.7Confident11 Ų1168.9 Ų68.96%0.05637%0.366CS..Hα-helixtrans-62.8-43.4178.9-67.5169.7000111.8C154 K155 K160 E161 F162 G222C154-I158 WeakPolarHBondContact O-CG1 3.39Å; C154-I158 PolarHBondContact O-N 2.68Å; C154-I158 VanDerWaalsContact O-N 3.09Å; K155-I158 PolarHBondContact O-N 3.36Å; I158-K160 PolarHBondContact O-N 2.88Å; I158-E161 CarbonylContact O-C 3.26Å; I158-E161 PolarHBondContact O-N 3.08Å; I158-F162 VanDerWaalsContact O-CB 3.26Å; I158-F162 WeakPolarHBondContact O-CB 2.93Å; I158-F162 PolarHBondContact O-N 3.41Å; I158-G222 WeakPolarHBondContact CD1-O 3.47Å
159S81.4Confident76.4Confident25 Ų2567.7 Ų67.718%0.17536%0.363CS..Hα-helixtrans-62.3-42.5176.1-620000111.8K155 S156 R157 F162 Y163K155-S159 PolarHBondContact O-N 3.34Å; K155-S159 PolarHBondContact O-OG 2.96Å; S156-S159 PolarHBondContact O-N 3.43Å; R157-S159 PolarHBondContact O-N 3.45Å; S159-F162 PolarHBondContact O-N 3.19Å; S159-Y163 VanDerWaalsContact O-CD2 3.23Å; S159-Y163 WeakPolarHBondContact O-CD2 3.48Å; S159-Y163 PolarHBondContact O-N 3.3Å
160K81.6Confident74.7Confident122 Ų12264.1 Ų64.153%0.5336%0.36SS..Hα-helixtrans-65.4-38.5175.7-72.5173.3-179.5-178.70112.1S156 R157 I158 F162 G164S156-K160 WeakPolarHBondContact O-CB 3.49Å; S156-K160 VanDerWaalsContact O-CG 3.28Å; S156-K160 WeakPolarHBondContact O-CG 3.09Å; S156-K160 PolarHBondContact O-N 3.04Å; R157-K160 PolarHBondContact O-N 3.04Å; I158-K160 PolarHBondContact O-N 2.88Å; K160-F162 VanDerWaalsContact C-N 3.31Å; K160-F162 PolarHBondContact O-N 3.24Å; K160-G164 VanDerWaalsContact O-CA 3.27Å; K160-G164 WeakPolarHBondContact O-CA 3.31Å; K160-G164 PolarHBondContact O-N 3.14Å
161E79.7Confident72.7Confident60 Ų6067 Ų6728%0.2839%0.385SS..Hα-helixtrans-69.2-22.8172.9-86.4-172.5-114.300114.4R157 I158 R288R157-E161 WeakPolarHBondContact CG-OE1 3.23Å; R157-E161 IonicContact NE-OE1 3.54Å; R157-E161 WeakPolarHBondContact O-CB 3.4Å; R157-E161 WeakPolarHBondContact O-CG 3.41Å; R157-E161 PolarHBondContact O-N 3.2Å; I158-E161 CarbonylContact O-C 3.26Å; I158-E161 PolarHBondContact O-N 3.08Å; E161-R288 IonicContact OE2-CZ 3.26Å; E161-R288 IonicContact OE2-NH1 2.77Å; E161-R288 PolarHBondContact OE2-NH1 3.04Å
162F79.7Confident70.5Confident19 Ų1969.3 Ų69.38%0.08340%0.402CS..Hα-helixtrans-88.1-53.6179.8-175.1-82.5000110.9I158 S159 K160 G164 Y165 V216 L217 L261 A310 G311I158-F162 VanDerWaalsContact O-CB 3.26Å; I158-F162 WeakPolarHBondContact O-CB 2.93Å; I158-F162 PolarHBondContact O-N 3.41Å; S159-F162 PolarHBondContact O-N 3.19Å; K160-F162 VanDerWaalsContact C-N 3.31Å; K160-F162 PolarHBondContact O-N 3.24Å; F162-G164 VanDerWaalsContact C-N 3.32Å; F162-Y165 WeakPolarHBondContact O-CB 3.45Å; F162-Y165 PolarHBondContact O-N 2.68Å; F162-V216 HydrophobicContact CE1-CG1 3.72Å; F162-V216 HydrophobicContact CZ-CG1 4.05Å; F162-L217 HydrophobicContact CB-CD1 4.21Å; F162-L217 HydrophobicContact CD1-CD1 3.9Å; F162-L217 HydrophobicContact CD1-CG 4.41Å; F162-L217 HydrophobicContact CD2-CD2 4.23Å; F162-L217 HydrophobicContact CE1-CD1 4.5Å; F162-L217 HydrophobicContact CG-CD1 4.01Å; F162-L217 HydrophobicContact CG-CD2 4.35Å; F162-L217 HydrophobicContact CG-CG 4.4Å; F162-L261 HydrophobicContact CZ-CD1 3.76Å; F162-A310 HydrophobicContact CD2-CB 4.2Å; F162-G311 VanDerWaalsContact O-CA 3.31Å; F162-G311 WeakPolarHBondContact O-CA 3.47Å
163Y77.5Confident68.2Low73 Ų7373.3 Ų73.329%0.28642%0.42SS..Hα-helixtrans-72.9-24.1176.8-67.4-66000112.9S159 Y165 M211 L217S159-Y163 VanDerWaalsContact O-CD2 3.23Å; S159-Y163 WeakPolarHBondContact O-CD2 3.48Å; S159-Y163 PolarHBondContact O-N 3.3Å; Y163-Y165 VanDerWaalsContact C-N 3.27Å; Y163-Y165 PolarHBondContact O-N 2.86Å; Y163-M211 HydrophobicContact CD1-CB 4.48Å; Y163-M211 HydrophobicContact CE1-CB 4.04Å; Y163-M211 PolarHBondContact OH-O 2.93Å; Y163-L217 HydrophobicContact CE2-CD1 3.9Å
164G75.1Confident66Low58 Ų5874.7 Ų74.760%0.59842%0.422SS*.THydrogen-bonded Turntrans-82.46.4173.600000114.7K160 F162 A166K160-G164 VanDerWaalsContact O-CA 3.27Å; K160-G164 WeakPolarHBondContact O-CA 3.31Å; K160-G164 PolarHBondContact O-N 3.14Å; F162-G164 VanDerWaalsContact C-N 3.32Å; G164-A166 PolarHBondContact O-N 2.9Å; G164-A166 VanDerWaalsContact O-N 3.12Å
165Y74.8Confident63.8Low54 Ų5483 Ų8321%0.21247%0.465CS..  trans-68.2107.7173.6177.1-90000110.2F162 Y163 E167 P309 W312F162-Y165 WeakPolarHBondContact O-CB 3.45Å; F162-Y165 PolarHBondContact O-N 2.68Å; Y163-Y165 VanDerWaalsContact C-N 3.27Å; Y163-Y165 PolarHBondContact O-N 2.86Å; Y165-E167 HydrophobicContact CE1-CB 4.09Å; Y165-P309 HydrophobicContact CD2-CB 4.41Å; Y165-P309 HydrophobicContact CD2-CG 4.46Å; Y165-P309 HydrophobicContact CE2-CB 3.83Å; Y165-P309 HydrophobicContact CE2-CG 3.55Å; Y165-P309 WeakPolarHBondContact OH-CG 3.49Å; Y165-W312 HydrophobicContact CD1-CB 4.35Å; Y165-W312 HydrophobicContact CE1-CB 3.94Å; Y165-W312 AromaticContact CE1-CD1 3.74Å; Y165-W312 HydrophobicContact CE1-CG 4.26Å
166A68.3Low61.5Low81 Ų8185.6 Ų85.667%0.66948%0.481SS*.PPolyproline II helixtrans-94.1136.3162.600000108.8G164G164-A166 PolarHBondContact O-N 2.9Å; G164-A166 VanDerWaalsContact O-N 3.12Å
167E68.2Low59.3Low98 Ų9889.4 Ų89.446%0.45850%0.497SS..PPolyproline II helixtrans-70.1124.6174.6-177.4147.2-123.900109.6Y165 E169 W312Y165-E167 HydrophobicContact CE1-CB 4.09Å; E167-E169 PolarHBondContact O-N 2.9Å; E167-W312 VanDerWaalsContact OE1-CD1 3.29Å; E167-W312 PolarHBondContact OE1-NE1 2.93Å
168P65.7Low57Low36 Ų3691.4 Ų91.423%0.23452%0.523CS..PPolyproline II helixtrans-64.8120.4175.525.7-32.4000108.6A170 S297P168-A170 PolarHBondContact O-N 2.85Å; P168-A170 VanDerWaalsContact O-N 3.13Å; P168-S297 PolarHBondContact O-OG 2.82Å
169E49.6Very low54.8Low158 Ų15895.9 Ų95.974%0.73855%0.55SS**PPolyproline II helixtrans-60.7117.3-179-72.8-164.2165.900110.4E167 S171E167-E169 PolarHBondContact O-N 2.9Å; E169-S171 PolarHBondContact O-N 3.25Å
170A42.9Very low52.4Low78 Ų78101 Ų10165%0.64558%0.576SS**SBendtrans-65.5109.8179.500000110.4P168P168-A170 PolarHBondContact O-N 2.85Å; P168-A170 VanDerWaalsContact O-N 3.13Å
171S34.2Very low50.4Low114 Ų114101.8 Ų101.880%0.79760%0.597SS**  trans64.277.1170620000117.9E169E169-S171 PolarHBondContact O-N 3.25Å
172T32.7Very low48.4Very low94 Ų94103.1 Ų103.158%0.57762%0.618SS**  trans-123.396.2150.6-57.30000111.3V174T172-V174 VanDerWaalsContact C-N 3.3Å; T172-V174 HydrophobicContact CG2-CB 3.9Å; T172-V174 HydrophobicContact CG2-CG2 3.59Å; T172-V174 PolarHBondContact O-N 2.88Å
173N32.5Very low46.3Very low172 Ų172106.2 Ų106.292%0.9264%0.642SS**  trans-75.876.9170.4-80-27.5000110.7
174V35.6Very low44.7Very low89 Ų89113.4 Ų113.454%0.53967%0.67SS.*  trans-129.9113.8176.5171.40000110.7T172 I176T172-V174 VanDerWaalsContact C-N 3.3Å; T172-V174 HydrophobicContact CG2-CB 3.9Å; T172-V174 HydrophobicContact CG2-CG2 3.59Å; T172-V174 PolarHBondContact O-N 2.88Å; V174-I176 HydrophobicContact CG1-CB 4.06Å; V174-I176 HydrophobicContact CG1-CD1 3.52Å; V174-I176 HydrophobicContact CG1-CG1 3.53Å; V174-I176 PolarHBondContact O-N 3.43Å
175I32.9Very low42.8Very low178 Ų178116 Ų11691%0.91368%0.679SS**  trans-7984.9173.3-55.1172.1000108.2
176I35.1Very low40.9Very low135 Ų135119.1 Ų119.169%0.69270%0.704SS**  trans-129.2125.5170.1-68176.6000110.8V174V174-I176 HydrophobicContact CG1-CB 4.06Å; V174-I176 HydrophobicContact CG1-CD1 3.52Å; V174-I176 HydrophobicContact CG1-CG1 3.53Å; V174-I176 PolarHBondContact O-N 3.43Å
177N34.9Very low39.4Very low127 Ų127123.6 Ų123.668%0.67971%0.713SS**  trans-26145.3173.5-51.7-32.3000117.5V179N177-V179 VanDerWaalsContact C-N 3.32Å; N177-V179 PolarHBondContact O-N 3.39Å
178P33.6Very low38.2Very low138 Ų138130.2 Ų130.290%0.89674%0.735SS**SBendtrans-7673.9-179.433.7-37.4000112.8
179V34.1Very low36.6Very low104 Ų104133.1 Ų133.163%0.6376%0.762SS**  trans-144.2135.8173.4-157.10000109.7N177N177-V179 VanDerWaalsContact C-N 3.32Å; N177-V179 PolarHBondContact O-N 3.39Å
180N31.5Very low35.9Very low133 Ų133131.8 Ų131.871%0.71177%0.765SS**  trans8919.1170.1-49.5-45.3000120.4A182N180-A182 PolarHBondContact O-N 2.88Å
181S40Very low35.6Very low139 Ų139132.7 Ų132.797%0.97277%0.767SS**  trans-74.357.9163.4-57.80000112.5
182A36.8Very low36Very low87 Ų87135.6 Ų135.672%0.71977%0.768SS**  trans-13112.2-17600000113.2N180N180-A182 PolarHBondContact O-N 2.88Å
183S36.3Very low36.1Very low84 Ų84139.1 Ų139.159%0.58778%0.778SS**  trans-117.450.6-15959.30000114.7
184Y43.8Very low36Very low224 Ų224136.7 Ų136.788%0.87877%0.769SS**SBendtrans-122.6-2.2163.8-72.5-72.3000113.8T186Y184-T186 PolarHBondContact O-N 3.06Å
185S36Very low35.8Very low113 Ų113138.9 Ų138.979%0.7978%0.783SS**  trans-99.748.9-175.5-175.90000113.6
186T34.7Very low35.7Very low120 Ų120135.8 Ų135.874%0.73678%0.777SS**  trans-14751.6-170.4-32.60000115.8Y184Y184-T186 PolarHBondContact O-N 3.06Å
187M35.7Very low35.6Very low174 Ų174139.9 Ų139.986%0.85778%0.784SS**SBendtrans-136.4-0.2171.1-82-160.3171.700118.1
188Y44.3Very low35.4Very low237 Ų237139.7 Ų139.793%0.92979%0.792SS**SBendtrans-127.261.4178.7-62.8-65.9000113.2
189A32.1Very low35.5Very low97 Ų97136.6 Ų136.680%0.80277%0.774SS**  trans-147.490.6172.900000110.6
190T34.2Very low35.7Very low131 Ų131139.9 Ų139.980%0.80478%0.78SS**  trans-142.9133.1176.4-47.20000110.5
191S37.5Very low36.3Very low96 Ų96141.2 Ų141.267%0.67179%0.787SS**SBendtrans80.4116178.4-34.80000116.3
192Q41.8Very low36.2Very low176 Ų176141.1 Ų141.182%0.82278%0.775SS**  trans64.7146.5145.9-60.5165.120.400119
193E34.2Very low36.2Very low168 Ų168141.2 Ų141.279%0.78576%0.763SS**  cis-164.6140.3-38.2-128.1166-14500106.3
194T30.8Very low36.5Very low121 Ų121143.7 Ų143.774%0.74277%0.77SS**  trans2799.6161.655.10000119.9
195T32.3Very low36.5Very low134 Ų134140.6 Ų140.682%0.82276%0.764SS**  -180134.5115.526.40000114.9
196S29.6Very low36.6Very low113 Ų113137.8 Ų137.879%0.7974%0.744SS**  trans36.386.4138.1-500000120.5
197R32.5Very low36.7Very low222 Ų222138.5 Ų138.584%0.83874%0.737SS**  trans-159.1143.4140-121.2163.9-178.6147.3-1.8115.7
198S31.9Very low37.2Very low122 Ų122133.8 Ų133.885%0.85372%0.715SS**  trans-98.596.1172.8520000110
199S35Very low37.3Very low74 Ų74129.1 Ų129.152%0.51770%0.701SS.*  trans-167.164.7-177.855.30000112.8
200F39.3Very low37.8Very low172 Ų172132.4 Ų132.475%0.75470%0.7SS**  trans-141.135.5-176.4-66.9-64.8000113.8
201L44.4Very low38.4Very low162 Ų162131.4 Ų131.485%0.84869%0.687SS**SBendtrans-125.64.6179-70.1177.6000114
202N37.9Very low39.1Very low136 Ų136134 Ų13473%0.72768%0.684SS**SBendtrans-113.3-14.3-174.7-67.927000113.5N204N202-N204 VanDerWaalsContact C-N 3.26Å; N202-N204 PolarHBondContact O-N 2.85Å
203D36Very low39.5Very low89 Ų89128.3 Ų128.348%0.47666%0.657SS.*Hα-helixtrans-81.1-0.5-165.4-48.8-61.2000114.5S206 F207D203-S206 WeakPolarHBondContact CA-OG 3.48Å; D203-S206 PolarHBondContact O-OG 3.45Å; D203-F207 PolarHBondContact O-N 3.19Å
204N41.6Very low40.4Very low137 Ų137127.2 Ų127.273%0.73366%0.657SS**Hα-helixtrans-81.8-17.6179.7-70.6-25.1000113.8N202N202-N204 VanDerWaalsContact C-N 3.26Å; N202-N204 PolarHBondContact O-N 2.85Å
205E44.8Very low41.8Very low159 Ų159125.6 Ų125.674%0.74364%0.644SS**Hα-helixtrans-89.4-37.4173.3-65.9-165124.700111.5F207 I208E205-F207 PolarHBondContact O-N 3.28Å; E205-I208 PolarHBondContact O-N 3Å
206S38.3Very low43.3Very low53 Ų53119.7 Ų119.737%0.37161%0.607SS.*Hα-helixtrans-65.8-34.4176.845.40000113.4D203 I208 E209 E210D203-S206 WeakPolarHBondContact CA-OG 3.48Å; D203-S206 PolarHBondContact O-OG 3.45Å; S206-I208 PolarHBondContact O-N 3.29Å; S206-E209 WeakPolarHBondContact O-CA 3.43Å; S206-E209 WeakPolarHBondContact O-CB 3.19Å; S206-E209 PolarHBondContact O-N 3.13Å; S206-E210 PolarHBondContact O-N 2.82Å
207F36.8Very low45.2Very low136 Ų136115 Ų11560%0.59657%0.573SS**Hα-helixtrans-63.5-23.6176.5-169.3-103.8000113.6D203 E205 E209D203-F207 PolarHBondContact O-N 3.19Å; E205-F207 PolarHBondContact O-N 3.28Å; F207-E209 VanDerWaalsContact C-N 3.33Å
208I46.7Very low47Very low75 Ų75109.1 Ų109.139%0.38556%0.559SS.*Hα-helixtrans-77.7-25173.5-57.3174.9000110.6E205 S206E205-I208 PolarHBondContact O-N 3Å; S206-I208 PolarHBondContact O-N 3.29Å
209E46.1Very low49Very low139 Ų139106.6 Ų106.665%0.6554%0.535SS*.Hα-helixtrans-83.2-16.5-176.3-134.3167.2-155.600113.4S206 F207 Y212S206-E209 WeakPolarHBondContact O-CA 3.43Å; S206-E209 WeakPolarHBondContact O-CB 3.19Å; S206-E209 PolarHBondContact O-N 3.13Å; F207-E209 VanDerWaalsContact C-N 3.33Å; E209-Y212 HydrophobicContact CG-CE2 4.07Å; E209-Y212 VanDerWaalsContact O-CD2 3.25Å; E209-Y212 WeakPolarHBondContact O-CD2 3.34Å
210E42.5Very low51.1Low166 Ų166103.6 Ų103.678%0.77651%0.514SS*.THydrogen-bonded Turntrans-87.9-2177.3-65.1-167.9150.100114.5S206S206-E210 PolarHBondContact O-N 2.82Å
211M45.4Very low52.9Low109 Ų10996 Ų9654%0.53748%0.481SS..  trans-103.621.1-177.2-74.1-140.4162.400115.9Y163 E213Y163-M211 HydrophobicContact CD1-CB 4.48Å; Y163-M211 HydrophobicContact CE1-CB 4.04Å; Y163-M211 PolarHBondContact OH-O 2.93Å; M211-E213 VanDerWaalsContact C-N 3.33Å; M211-E213 PolarHBondContact O-N 3.02Å
212Y52.5Low54.5Low151 Ų15188.3 Ų88.359%0.59244%0.441SS*.  trans-72.983166-65.4-73.9000111.3E209E209-Y212 HydrophobicContact CG-CE2 4.07Å; E209-Y212 VanDerWaalsContact O-CD2 3.25Å; E209-Y212 WeakPolarHBondContact O-CD2 3.34Å
213E51.4Low56.7Low56 Ų5682.1 Ų82.126%0.26241%0.408SS..  trans-63.3131.4158.6-81-168175.500109.3M211 N215 V216 N314 H315 K316M211-E213 VanDerWaalsContact C-N 3.33Å; M211-E213 PolarHBondContact O-N 3.02Å; E213-N215 PolarHBondContact O-N 3.29Å; E213-N215 VanDerWaalsContact O-N 3.08Å; E213-V216 HydrophobicContact CB-CG2 3.77Å; E213-V216 PolarHBondContact O-N 3.16Å; E213-N314 PolarHBondContact OE1-ND2 3.41Å; E213-N314 PolarHBondContact OE2-ND2 2.91Å; E213-H315 IonicContact OE2-CD2 2.63Å; E213-K316 IonicContact OE1-NZ 2.63Å; E213-K316 PolarHBondContact OE1-NZ 2.87Å
214D53.6Low59.3Low145 Ų14578.8 Ų78.878%0.77539%0.391SS*.THydrogen-bonded Turntrans-51.8116-178.6-78.4-49.2000111.8H315D214-H315 PolarHBondContact O-NE2 2.89Å
215N58.6Low61.7Low88 Ų8872.6 Ų72.647%0.47136%0.358SS..THydrogen-bonded Turntrans88.45.4-179.1-47.5-86.4000117.9E213 N218 S262E213-N215 PolarHBondContact O-N 3.29Å; E213-N215 VanDerWaalsContact O-N 3.08Å; N215-N218 WeakPolarHBondContact CA-OD1 3.34Å; N215-N218 PolarHBondContact OD1-ND2 2.63Å; N215-N218 VanDerWaalsContact OD1-ND2 3.12Å; N215-S262 WeakPolarHBondContact O-CA 3.5Å
216V65.1Low64Low10 Ų1065.2 Ų65.26%0.06132%0.323CS..SBendtrans-78.5130166.2-178.60000110.2F162 E213 N218 L261F162-V216 HydrophobicContact CE1-CG1 3.72Å; F162-V216 HydrophobicContact CZ-CG1 4.05Å; E213-V216 HydrophobicContact CB-CG2 3.77Å; E213-V216 PolarHBondContact O-N 3.16Å; V216-N218 PolarHBondContact O-N 3.03Å; V216-L261 HydrophobicContact CB-CD1 4.47Å; V216-L261 HydrophobicContact CG1-CD1 4.05Å; V216-L261 HydrophobicContact CG2-CD1 3.99Å; V216-L261 HydrophobicContact CG2-CD2 4.3Å; V216-L261 HydrophobicContact CG2-CG 4.13Å
217L69.6Low66.7Low13 Ų1362.7 Ų62.77%0.06831%0.306CS..SBendtrans58.510.2177.3-68.3167.9000117.1F162 Y163 N219 N220 L261 S262 G264F162-L217 HydrophobicContact CB-CD1 4.21Å; F162-L217 HydrophobicContact CD1-CD1 3.9Å; F162-L217 HydrophobicContact CD1-CG 4.41Å; F162-L217 HydrophobicContact CD2-CD2 4.23Å; F162-L217 HydrophobicContact CE1-CD1 4.5Å; F162-L217 HydrophobicContact CG-CD1 4.01Å; F162-L217 HydrophobicContact CG-CD2 4.35Å; F162-L217 HydrophobicContact CG-CG 4.4Å; Y163-L217 HydrophobicContact CE2-CD1 3.9Å; L217-N219 PolarHBondContact O-N 2.63Å; L217-N220 HydrophobicContact CD2-CB 4.46Å; L217-N220 WeakPolarHBondContact O-CB 3.06Å; L217-N220 PolarHBondContact O-N 2.84Å; L217-L261 PolarHBondContact N-O 3.12Å; L217-S262 CarbonylContact C-O 3.36Å; L217-G264 VanDerWaalsContact CD2-CA 3.49Å
218N68.6Low69.5Low100 Ų10056.2 Ų56.254%0.53528%0.278SS..THydrogen-bonded Turntrans-42.8-45.6177.9-83.712.5000113.7N215 V216 S262N215-N218 WeakPolarHBondContact CA-OD1 3.34Å; N215-N218 PolarHBondContact OD1-ND2 2.63Å; N215-N218 VanDerWaalsContact OD1-ND2 3.12Å; V216-N218 PolarHBondContact O-N 3.03Å; N218-S262 PolarHBondContact N-O 3.3Å
219N75.6Confident71.8Confident69 Ų6952.7 Ų52.737%0.36926%0.259SS..THydrogen-bonded Turntrans-102.732.1-176.3-69-4.3000112.3L217 L221 S262 Y263L217-N219 PolarHBondContact O-N 2.63Å; N219-L221 WeakPolarHBondContact O-CG 3.48Å; N219-L221 PolarHBondContact O-N 2.87Å; N219-S262 PolarHBondContact N-O 3.33Å; N219-Y263 HydrophobicContact CB-CD1 3.66Å; N219-Y263 HydrophobicContact CB-CE1 3.4Å; N219-Y263 VanDerWaalsContact CB-CE1 3.4Å; N219-Y263 HydrophobicContact CB-CE2 4.31Å; N219-Y263 HydrophobicContact CB-CG 4.23Å; N219-Y263 PolarHBondContact ND2-OH 3.12Å; N219-Y263 VanDerWaalsContact ND2-OH 3.16Å; N219-Y263 WeakPolarHBondContact O-CD1 3.4Å
220N77.8Confident74Confident11 Ų1146.3 Ų46.36%0.05923%0.23CC..  trans-56.2110.6174.6-179.2-12.8000110.3K155 L217 G222K155-N220 WeakPolarHBondContact CE-O 3.47Å; K155-N220 PolarHBondContact NZ-O 2.87Å; K155-N220 PolarHBondContact O-ND2 3.23Å; L217-N220 HydrophobicContact CD2-CB 4.46Å; L217-N220 WeakPolarHBondContact O-CB 3.06Å; L217-N220 PolarHBondContact O-N 2.84Å; N220-G222 PolarHBondContact OD1-N 2.95Å
221L76.9Confident76.3Confident12 Ų1241.4 Ų41.46%0.06321%0.206CC..  trans-85-9.6-175.6-62.2-176.5000113.3L137 N138 I141 N219 V223 L225 Y263L137-L221 HydrophobicContact CB-CD1 4.43Å; L137-L221 HydrophobicContact CD2-CD1 3.78Å; N138-L221 HydrophobicContact CB-CD2 3.82Å; I141-L221 HydrophobicContact CD1-CB 4.03Å; I141-L221 WeakPolarHBondContact CD1-O 3.48Å; N219-L221 WeakPolarHBondContact O-CG 3.48Å; N219-L221 PolarHBondContact O-N 2.87Å; L221-V223 VanDerWaalsContact C-N 3.32Å; L221-L225 HydrophobicContact CD1-CD1 4.29Å; L221-Y263 HydrophobicContact CD1-CD1 4.26Å; L221-Y263 HydrophobicContact CD1-CE1 4.15Å; L221-Y263 HydrophobicContact CG-CD1 4.26Å; L221-Y263 HydrophobicContact CG-CE1 4.3Å
222G78.4Confident78.4Confident1 Ų136.2 Ų36.21%0.0118%0.18CC..SBendtrans84.8-2.9-17300000114.7C154 I158 N220C154-G222 VanDerWaalsContact CB-O 3.28Å; C154-G222 WeakPolarHBondContact CB-O 3.28Å; I158-G222 WeakPolarHBondContact CD1-O 3.47Å; N220-G222 PolarHBondContact OD1-N 2.95Å
223V85.2Confident80.2Confident6 Ų629.6 Ų29.64%0.03616%0.155CC..SBendtrans-114133.6173.4-177.30000108.8F109 Q112 A114 I141 L221 L225F109-V223 HydrophobicContact CD2-CG2 4.07Å; F109-V223 HydrophobicContact CE2-CG2 3.33Å; F109-V223 HydrophobicContact CZ-CG2 3.65Å; Q112-V223 HydrophobicContact CB-CG1 4.37Å; A114-V223 HydrophobicContact CB-CG1 4.01Å; I141-V223 HydrophobicContact CD1-CG2 3.91Å; L221-V223 VanDerWaalsContact C-N 3.32Å; V223-L225 PolarHBondContact O-N 3.12Å
224P89.1Confident81.9Confident18 Ų1828.6 Ų28.612%0.11715%0.152CC..  trans-63.9132.4174.625.6-33.5000110.8Q112 M113 A114Q112-P224 VanDerWaalsContact O-CD 3.28Å; Q112-P224 WeakPolarHBondContact O-CD 3.47Å; Q112-P224 WeakPolarHBondContact O-CG 3.38Å; M113-P224 HydrophobicContact CB-CG 4.39Å; M113-P224 HydrophobicContact CE-CB 4.23Å; M113-P224 HydrophobicContact CE-CG 4.03Å; M113-P224 HydrophobicContact CG-CG 4.4Å; A114-P224 PolarHBondContact N-O 3.26Å
225L92.2Very high83.5Confident8 Ų822.2 Ų22.24%0.04212%0.117CC..EExtended strand (participates in β ladder)trans-114.1140.3-172.6-73.9167.8000112.3A114 M116 L137 L221 V223 Y263 A265 A266A114-L225 HydrophobicContact CB-CD2 3.63Å; A114-L225 WeakPolarHBondContact O-CA 3.21Å; M116-L225 HydrophobicContact CE-CD1 4.3Å; M116-L225 HydrophobicContact CE-CD2 3.73Å; L137-L225 HydrophobicContact CD1-CD2 4.23Å; L221-L225 HydrophobicContact CD1-CD1 4.29Å; V223-L225 PolarHBondContact O-N 3.12Å; L225-Y263 HydrophobicContact CD1-CD1 3.97Å; L225-Y263 HydrophobicContact CD1-CG 4.25Å; L225-A265 HydrophobicContact CB-CB 3.59Å; L225-A265 VanDerWaalsContact O-CA 3.25Å; L225-A265 WeakPolarHBondContact O-CA 3.4Å; L225-A266 PolarHBondContact O-N 3.19Å
226I94.2Very high84.8Confident3 Ų321.7 Ų21.72%0.01511%0.111CC..EExtended strand (participates in β ladder)trans-129.7132.3171-56.1177.4000108.2M113 A114 L115 M116 V228 A266 F268 L281 Y284 I285M113-I226 HydrophobicContact CG-CD1 4.46Å; M113-I226 HydrophobicContact SD-CD1 3.58Å; M113-I226 VanDerWaalsContact SD-CD1 3.58Å; M113-I226 HydrophobicContact SD-CG1 4.34Å; A114-I226 PolarHBondContact O-N 3.47Å; L115-I226 CarbonylContact C-O 3.57Å; L115-I226 WeakPolarHBondContact CA-O 3.44Å; L115-I226 HydrophobicContact CD1-CB 3.86Å; L115-I226 HydrophobicContact CD1-CG2 3.77Å; M116-I226 PolarHBondContact N-O 3.48Å; I226-V228 HydrophobicContact CG2-CG2 4.31Å; I226-A266 HydrophobicContact CG1-CB 4.43Å; I226-F268 HydrophobicContact CG2-CD2 3.6Å; I226-F268 HydrophobicContact CG2-CE2 3.9Å; I226-L281 HydrophobicContact CG2-CD1 4Å; I226-Y284 HydrophobicContact CD1-CD1 3.93Å; I226-Y284 HydrophobicContact CD1-CE1 4.22Å; I226-Y284 HydrophobicContact CG1-CE1 4.42Å; I226-I285 HydrophobicContact CD1-CG1 3.81Å
227V94.9Very high85.8Confident1 Ų123.6 Ų23.61%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-106.5123.4171.6176.60000108.8M116 L130 I256 F259 A265 A266 L267 F268M116-V227 HydrophobicContact CB-CG2 4.47Å; M116-V227 WeakPolarHBondContact O-CA 3.35Å; L130-V227 HydrophobicContact CD1-CG1 4.39Å; L130-V227 HydrophobicContact CD2-CG1 3.81Å; L130-V227 HydrophobicContact CD2-CG2 4.13Å; V227-I256 HydrophobicContact CG1-CG2 4.1Å; V227-F259 HydrophobicContact CG2-CD1 4.37Å; V227-F259 HydrophobicContact CG2-CE1 4.14Å; V227-A265 HydrophobicContact CG2-CB 4.22Å; V227-A266 PolarHBondContact N-O 2.86Å; V227-L267 HydrophobicContact CB-CD1 4.03Å; V227-L267 HydrophobicContact CG1-CD1 3.81Å; V227-L267 WeakPolarHBondContact O-CA 3.47Å; V227-F268 PolarHBondContact O-N 3.48Å
228V94.9Very high86.5Confident0 Ų023.5 Ų23.50%012%0.122CC..EExtended strand (participates in β ladder)trans-113122174.1168.30000110.1L51 L115 M116 V118 I226 T230 F268 V270 L281L51-V228 HydrophobicContact CD2-CG1 3.99Å; L115-V228 HydrophobicContact CD1-CB 4.23Å; L115-V228 HydrophobicContact CD1-CG2 3.59Å; M116-V228 PolarHBondContact O-N 3.38Å; V118-V228 PolarHBondContact N-O 2.75Å; I226-V228 HydrophobicContact CG2-CG2 4.31Å; V228-T230 HydrophobicContact CG1-CG2 3.81Å; V228-F268 CarbonylContact C-O 3.41Å; V228-F268 WeakPolarHBondContact CA-O 3.46Å; V228-F268 HydrophobicContact CG2-CB 3.81Å; V228-V270 HydrophobicContact CG1-CB 4Å; V228-V270 HydrophobicContact CG1-CG2 3.8Å; V228-L281 HydrophobicContact CG2-CD1 3.75Å; V228-L281 HydrophobicContact CG2-CD2 3.69Å; V228-L281 HydrophobicContact CG2-CG 4.37Å
229V94.6Very high87.2Confident1 Ų122 Ų221%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-91.4113.5168.5-178.20000108.7V118 I120 M235 I256 L267 F268 Y269 V270V118-V229 CarbonylContact O-C 3.56Å; V118-V229 VanDerWaalsContact O-CA 3.27Å; V118-V229 WeakPolarHBondContact O-CA 3.17Å; I120-V229 HydrophobicContact CB-CG1 4.12Å; I120-V229 HydrophobicContact CD1-CG1 4.38Å; V229-M235 HydrophobicContact CG1-CE 4.48Å; V229-I256 HydrophobicContact CG2-CD1 3.81Å; V229-L267 HydrophobicContact CG2-CD1 4.22Å; V229-F268 PolarHBondContact N-O 3.26Å; V229-Y269 HydrophobicContact CB-CD2 3.83Å; V229-Y269 HydrophobicContact CB-CE2 3.97Å; V229-Y269 HydrophobicContact CB-CG 4.19Å; V229-Y269 HydrophobicContact CG2-CD2 3.87Å; V229-Y269 HydrophobicContact CG2-CE2 3.57Å; V229-V270 PolarHBondContact O-N 3.44Å
230T92.9Very high87.6Confident4 Ų427 Ų273%0.02513%0.131CC..EExtended strand (participates in β ladder)trans-95.9157.5-176.367.20000113.6S46 V117 V118 S119 I120 V228 V270S46-T230 PolarHBondContact O-OG1 3.49Å; V117-T230 HydrophobicContact CG1-CG2 3.38Å; V118-T230 PolarHBondContact O-N 3.43Å; V118-T230 PolarHBondContact O-OG1 3.04Å; S119-T230 VanDerWaalsContact CA-OG1 3.3Å; S119-T230 WeakPolarHBondContact CA-OG1 3.32Å; S119-T230 VanDerWaalsContact CB-OG1 3.31Å; S119-T230 WeakPolarHBondContact CB-OG1 3.28Å; S119-T230 PolarHBondContact OG-O 3.31Å; S119-T230 PolarHBondContact OG-OG1 3.34Å; I120-T230 PolarHBondContact N-O 3.11Å; V228-T230 HydrophobicContact CG1-CG2 3.81Å; T230-V270 CarbonylContact C-O 3.57Å; T230-V270 WeakPolarHBondContact CA-O 3.41Å
231K89.9Confident87.8Confident63 Ų6333.2 Ų33.227%0.27416%0.16SC..  trans67.638.6174.6-45.6-179.7-160.81600112.9L45 S119 I120 D233 L234 V270L45-K231 PolarHBondContact O-NZ 3.35Å; S119-K231 WeakPolarHBondContact OG-CD 3.43Å; S119-K231 VanDerWaalsContact OG-CE 3.29Å; S119-K231 WeakPolarHBondContact OG-CE 3.41Å; S119-K231 PolarHBondContact OG-NZ 3.12Å; I120-K231 HydrophobicContact CG2-CB 4.48Å; I120-K231 WeakPolarHBondContact CG2-O 3.25Å; K231-D233 VanDerWaalsContact C-OD1 3.3Å; K231-D233 WeakPolarHBondContact CA-OD1 3.41Å; K231-D233 PolarHBondContact O-N 2.87Å; K231-D233 VanDerWaalsContact O-N 3.1Å; K231-L234 HydrophobicContact CB-CD1 3.75Å; K231-L234 HydrophobicContact CB-CG 4.06Å; K231-L234 HydrophobicContact CD-CD1 4.05Å; K231-L234 VanDerWaalsContact O-CB 3.29Å; K231-L234 WeakPolarHBondContact O-CB 3.24Å; K231-L234 WeakPolarHBondContact O-CG 3.35Å; K231-L234 PolarHBondContact O-N 3.47Å; K231-V270 PolarHBondContact N-O 3.18Å
232T91Very high87.4Confident0 Ų037 Ų370%018%0.18CC..G310 helixtrans-61-19.5-177.358.60000113.4L234 M235 Y269 D304T232-L234 PolarHBondContact O-N 3.01Å; T232-M235 HydrophobicContact CG2-CE 3.77Å; T232-M235 HydrophobicContact CG2-SD 4.31Å; T232-M235 VanDerWaalsContact O-CB 3.26Å; T232-M235 WeakPolarHBondContact O-CB 3.23Å; T232-M235 VanDerWaalsContact O-CG 3.27Å; T232-M235 WeakPolarHBondContact O-CG 3.4Å; T232-M235 PolarHBondContact O-N 3.29Å; T232-Y269 HydrophobicContact CG2-CD1 4.04Å; T232-Y269 HydrophobicContact CG2-CG 4.21Å; T232-D304 WeakPolarHBondContact CB-O 3.29Å; T232-D304 PolarHBondContact OG1-O 3.33Å
233D90.2Very high87Confident12 Ų1245.7 Ų45.76%0.06422%0.221CC..G310 helixtrans-56.6-27.1167.561.5-76.7000113.7K231 M235 S271 K273 E274K231-D233 VanDerWaalsContact C-OD1 3.3Å; K231-D233 WeakPolarHBondContact CA-OD1 3.41Å; K231-D233 PolarHBondContact O-N 2.87Å; K231-D233 VanDerWaalsContact O-N 3.1Å; D233-M235 VanDerWaalsContact C-N 3.28Å; D233-M235 PolarHBondContact O-N 3.26Å; D233-S271 PolarHBondContact OD1-OG 3.29Å; D233-K273 HydrophobicContact CB-CD 4.33Å; D233-K273 WeakPolarHBondContact OD2-CD 3.46Å; D233-K273 IonicContact OD2-NZ 3.01Å; D233-K273 PolarHBondContact OD2-NZ 2.84Å; D233-E274 HydrophobicContact CB-CG 4.04Å; D233-E274 WeakPolarHBondContact CB-OE1 3.31Å
234L87.6Confident86.6Confident36 Ų3647 Ų4719%0.18823%0.225CC..G310 helixtrans-70.5-20.2175.2-62.4178.2000113.1I120 N121 K231 T232 K236 V237 M238I120-L234 HydrophobicContact CG2-CB 4.16Å; N121-L234 HydrophobicContact CB-CD1 3.82Å; K231-L234 HydrophobicContact CB-CD1 3.75Å; K231-L234 HydrophobicContact CB-CG 4.06Å; K231-L234 HydrophobicContact CD-CD1 4.05Å; K231-L234 VanDerWaalsContact O-CB 3.29Å; K231-L234 WeakPolarHBondContact O-CB 3.24Å; K231-L234 WeakPolarHBondContact O-CG 3.35Å; K231-L234 PolarHBondContact O-N 3.47Å; T232-L234 PolarHBondContact O-N 3.01Å; L234-K236 VanDerWaalsContact C-N 3.27Å; L234-K236 PolarHBondContact O-N 2.96Å; L234-V237 CarbonylContact O-C 3.38Å; L234-V237 WeakPolarHBondContact O-CA 3.43Å; L234-V237 WeakPolarHBondContact O-CB 3.48Å; L234-V237 PolarHBondContact O-N 2.93Å; L234-M238 WeakPolarHBondContact O-CB 3.27Å; L234-M238 WeakPolarHBondContact O-CG 3.41Å; L234-M238 PolarHBondContact O-N 2.9Å
235M86.4Confident86.2Confident10 Ų1048.5 Ų48.55%0.04924%0.236CC..Hα-helixtrans-58.2-43.4177.1-63.5169.517500110.7I120 V229 T232 D233 V237 M238 I239 F249 Y269 D304I120-M235 HydrophobicContact CB-CE 4.14Å; I120-M235 HydrophobicContact CD1-CE 3.8Å; I120-M235 HydrophobicContact CG1-CE 3.58Å; I120-M235 HydrophobicContact CG1-CG 3.95Å; I120-M235 HydrophobicContact CG2-CE 4.45Å; I120-M235 HydrophobicContact CG2-CG 4.35Å; V229-M235 HydrophobicContact CG1-CE 4.48Å; T232-M235 HydrophobicContact CG2-CE 3.77Å; T232-M235 HydrophobicContact CG2-SD 4.31Å; T232-M235 VanDerWaalsContact O-CB 3.26Å; T232-M235 WeakPolarHBondContact O-CB 3.23Å; T232-M235 VanDerWaalsContact O-CG 3.27Å; T232-M235 WeakPolarHBondContact O-CG 3.4Å; T232-M235 PolarHBondContact O-N 3.29Å; D233-M235 VanDerWaalsContact C-N 3.28Å; D233-M235 PolarHBondContact O-N 3.26Å; M235-V237 PolarHBondContact O-N 2.9Å; M235-M238 PolarHBondContact O-N 3.18Å; M235-I239 VanDerWaalsContact O-CG1 3.29Å; M235-I239 WeakPolarHBondContact O-CG1 3.21Å; M235-I239 PolarHBondContact O-N 3.42Å; M235-F249 HydrophobicContact CB-CE1 4.14Å; M235-F249 HydrophobicContact CB-CZ 4.32Å; M235-F249 HydrophobicContact CG-CD1 4.04Å; M235-F249 HydrophobicContact CG-CE1 3.75Å; M235-F249 HydrophobicContact CG-CZ 4.41Å; M235-F249 HydrophobicContact SD-CD1 4.47Å; M235-Y269 HydrophobicContact CE-CD1 3.68Å; M235-Y269 HydrophobicContact CE-CE1 3.58Å; M235-D304 HydrophobicContact SD-CB 4.22Å
236K85.3Confident85.7Confident77 Ų7754.7 Ų54.734%0.33527%0.265SS..Hα-helixtrans-62.6-22.3177.1-61.1166-170.2164.40113.4L234 K240 E274 D304L234-K236 VanDerWaalsContact C-N 3.27Å; L234-K236 PolarHBondContact O-N 2.96Å; K236-K240 VanDerWaalsContact O-CD 3.29Å; K236-K240 WeakPolarHBondContact O-CD 3.5Å; K236-K240 WeakPolarHBondContact O-CE 3.1Å; K236-K240 WeakPolarHBondContact O-CG 3.38Å; K236-E274 IonicContact NZ-OE1 2.75Å; K236-E274 PolarHBondContact NZ-OE1 2.89Å; K236-E274 IonicContact NZ-OE2 2.71Å; K236-E274 PolarHBondContact NZ-OE2 3.1Å; K236-D304 WeakPolarHBondContact CE-OD2 3.41Å; K236-D304 IonicContact NZ-OD2 3.17Å; K236-D304 PolarHBondContact NZ-OD2 2.97Å
237V86.8Confident85.2Confident51 Ų5155.4 Ų55.431%0.30927%0.268SS..Hα-helixtrans-89.5-46175.6-1760000110L234 M235 I239 K240 E241L234-V237 CarbonylContact O-C 3.38Å; L234-V237 WeakPolarHBondContact O-CA 3.43Å; L234-V237 WeakPolarHBondContact O-CB 3.48Å; L234-V237 PolarHBondContact O-N 2.93Å; M235-V237 PolarHBondContact O-N 2.9Å; V237-I239 VanDerWaalsContact C-N 3.32Å; V237-I239 PolarHBondContact O-N 2.74Å; V237-K240 PolarHBondContact O-N 3.01Å; V237-E241 HydrophobicContact CG1-CG 4.03Å; V237-E241 WeakPolarHBondContact CG1-OE2 3.43Å; V237-E241 PolarHBondContact O-N 3.38Å
238M83Confident84.7Confident10 Ų1057.3 Ų57.35%0.04928%0.277CS..Hα-helixtrans-60.9-36.1179.7-74.2-175.2131.300113.4N121 P123 L234 M235 K240 N242 Y244 F249N121-M238 WeakPolarHBondContact O-CE 3.29Å; P123-M238 HydrophobicContact CG-CE 4.28Å; L234-M238 WeakPolarHBondContact O-CB 3.27Å; L234-M238 WeakPolarHBondContact O-CG 3.41Å; L234-M238 PolarHBondContact O-N 2.9Å; M235-M238 PolarHBondContact O-N 3.18Å; M238-K240 VanDerWaalsContact C-N 3.28Å; M238-K240 PolarHBondContact O-N 3.19Å; M238-N242 WeakPolarHBondContact O-CA 3.44Å; M238-N242 WeakPolarHBondContact O-CB 3.4Å; M238-N242 PolarHBondContact O-N 3.46Å; M238-Y244 HydrophobicContact CB-CD2 4.01Å; M238-Y244 HydrophobicContact CE-CE2 4.47Å; M238-F249 HydrophobicContact CB-CZ 3.95Å
239I84.3Confident84.2Confident68 Ų6858.5 Ų58.535%0.34928%0.282SS..Hα-helixtrans-61.8-37.2172.4-66.8164.1000111.2M235 V237 Y244 E246 F249M235-I239 VanDerWaalsContact O-CG1 3.29Å; M235-I239 WeakPolarHBondContact O-CG1 3.21Å; M235-I239 PolarHBondContact O-N 3.42Å; V237-I239 VanDerWaalsContact C-N 3.32Å; V237-I239 PolarHBondContact O-N 2.74Å; I239-Y244 WeakPolarHBondContact CA-O 3.44Å; I239-E246 HydrophobicContact CD1-CG 4.46Å; I239-F249 HydrophobicContact CD1-CD2 4.49Å; I239-F249 HydrophobicContact CD1-CE2 4.23Å; I239-F249 HydrophobicContact CG1-CD2 4.25Å; I239-F249 HydrophobicContact CG1-CE2 3.62Å; I239-F249 HydrophobicContact CG1-CZ 4.44Å
240K83.6Confident83.9Confident174 Ų17461 Ų6176%0.75730%0.296SS*.Hα-helixtrans-85.4-41.2-175.2-65176.1-173.9174.20113.6K236 V237 M238K236-K240 VanDerWaalsContact O-CD 3.29Å; K236-K240 WeakPolarHBondContact O-CD 3.5Å; K236-K240 WeakPolarHBondContact O-CE 3.1Å; K236-K240 WeakPolarHBondContact O-CG 3.38Å; V237-K240 PolarHBondContact O-N 3.01Å; M238-K240 VanDerWaalsContact C-N 3.28Å; M238-K240 PolarHBondContact O-N 3.19Å
241E82.5Confident83.5Confident143 Ų14360.9 Ų60.967%0.66829%0.294SS*.Hα-helixtrans-97.2-39.8-171.2-64.2-176.8177.600112.9V237V237-E241 HydrophobicContact CG1-CG 4.03Å; V237-E241 WeakPolarHBondContact CG1-OE2 3.43Å; V237-E241 PolarHBondContact O-N 3.38Å
242N68.6Low83.5Confident91 Ų9158 Ų5849%0.48728%0.282SS..SBendtrans-101.99.4-170.8-67.5-40.4000113.7M238 Y244M238-N242 WeakPolarHBondContact O-CA 3.44Å; M238-N242 WeakPolarHBondContact O-CB 3.4Å; M238-N242 PolarHBondContact O-N 3.46Å; N242-Y244 HydrophobicContact CB-CD2 3.59Å; N242-Y244 HydrophobicContact CB-CE2 3.62Å; N242-Y244 PolarHBondContact O-N 2.9Å
243Q70.8Confident83.4Confident183 Ų18358.4 Ų58.486%0.85528%0.284SS*.  trans61.621.6177.6-53.3-178.6-0.500115.2S245Q243-S245 PolarHBondContact O-N 3.13Å
244Y76.2Confident83.3Confident35 Ų3557.9 Ų57.914%0.13728%0.281CS..  trans-74.2112.2175.1-70.9-73.4000111.4M238 I239 N242 H248 F249 I338M238-Y244 HydrophobicContact CB-CD2 4.01Å; M238-Y244 HydrophobicContact CE-CE2 4.47Å; I239-Y244 WeakPolarHBondContact CA-O 3.44Å; N242-Y244 HydrophobicContact CB-CD2 3.59Å; N242-Y244 HydrophobicContact CB-CE2 3.62Å; N242-Y244 PolarHBondContact O-N 2.9Å; Y244-H248 HydrophobicContact CD1-CB 3.95Å; Y244-H248 AromaticContact CD1-CD2 3.96Å; Y244-H248 AromaticContact CD1-CG 3.97Å; Y244-F249 HydrophobicContact CG-CE2 4.46Å; Y244-I338 HydrophobicContact CE1-CG2 4.39Å
245S80.3Confident83.3Confident49 Ų4957.9 Ų57.934%0.34328%0.28SS..  trans-57.2152.8159.4-1690000111.8Q243 E247 H248Q243-S245 PolarHBondContact O-N 3.13Å; S245-E247 PolarHBondContact O-N 3.44Å; S245-E247 PolarHBondContact OG-OE1 3.43Å; S245-E247 VanDerWaalsContact OG-OE1 3.09Å; S245-H248 PolarHBondContact N-CD2 2.77Å; S245-H248 WeakPolarHBondContact O-CB 3.3Å; S245-H248 PolarHBondContact O-N 3.24Å
246E82.1Confident83.5Confident138 Ų13857.5 Ų57.565%0.64528%0.278SS*.Hα-helixtrans-56.3-35.9174.9-66.5172.4159.100111.6I239 H248 F249 D250I239-E246 HydrophobicContact CD1-CG 4.46Å; E246-H248 PolarHBondContact O-N 3.08Å; E246-F249 WeakPolarHBondContact O-CA 3.27Å; E246-F249 WeakPolarHBondContact O-CB 3.36Å; E246-F249 PolarHBondContact O-N 3.06Å; E246-D250 PolarHBondContact O-N 3.1Å
247E83Confident83.8Confident17 Ų1754 Ų548%0.07926%0.263CS..Hα-helixtrans-53.9-27.6173.7-69.8162.8-7500114S245 F251 L325 T326 K327 I328S245-E247 PolarHBondContact O-N 3.44Å; S245-E247 PolarHBondContact OG-OE1 3.43Å; S245-E247 VanDerWaalsContact OG-OE1 3.09Å; E247-F251 VanDerWaalsContact O-CB 3.27Å; E247-F251 WeakPolarHBondContact O-CB 3.36Å; E247-F251 PolarHBondContact O-N 2.8Å; E247-L325 HydrophobicContact CB-CD2 4.07Å; E247-L325 HydrophobicContact CG-CD2 4.47Å; E247-L325 VanDerWaalsContact O-CD2 3.29Å; E247-L325 WeakPolarHBondContact O-CD2 3.31Å; E247-T326 PolarHBondContact OE2-N 3.18Å; E247-T326 PolarHBondContact OE2-OG1 3.02Å; E247-K327 VanDerWaalsContact CD-NZ 3.32Å; E247-K327 WeakPolarHBondContact OE1-CD 3.38Å; E247-K327 IonicContact OE1-NZ 3.35Å; E247-K327 PolarHBondContact OE1-NZ 3.25Å; E247-K327 WeakPolarHBondContact OE2-CB 3.39Å; E247-K327 WeakPolarHBondContact OE2-CG 3.45Å; E247-K327 PolarHBondContact OE2-N 2.81Å; E247-K327 IonicContact OE2-NZ 2.64Å; E247-K327 PolarHBondContact OE2-NZ 3.05Å; E247-I328 HydrophobicContact CB-CD1 4Å
248H84.4Confident83.9Confident41 Ų4154.5 Ų54.519%0.1926%0.259CS..Hα-helixtrans-73.7-33.1174.2-65.4-72.9000112.1Y244 S245 E246 I252 I328Y244-H248 HydrophobicContact CD1-CB 3.95Å; Y244-H248 AromaticContact CD1-CD2 3.96Å; Y244-H248 AromaticContact CD1-CG 3.97Å; S245-H248 PolarHBondContact N-CD2 2.77Å; S245-H248 WeakPolarHBondContact O-CB 3.3Å; S245-H248 PolarHBondContact O-N 3.24Å; E246-H248 PolarHBondContact O-N 3.08Å; H248-I252 WeakPolarHBondContact O-CD1 3.42Å; H248-I252 VanDerWaalsContact O-CG1 3.24Å; H248-I252 WeakPolarHBondContact O-CG1 3.43Å; H248-I252 PolarHBondContact O-N 3.29Å; H248-I328 WeakPolarHBondContact ND1-CD1 3.35Å
249F85.8Confident84.2Confident26 Ų2654.9 Ų54.911%0.11426%0.26CS..Hα-helixtrans-74-37.6175-66.6-78.8000111.3I120 M235 M238 I239 Y244 E246 F251 I252 Q253I120-F249 HydrophobicContact CD1-CD1 4.29Å; I120-F249 HydrophobicContact CD1-CE1 4.19Å; I120-F249 HydrophobicContact CG1-CE1 4.07Å; M235-F249 HydrophobicContact CB-CE1 4.14Å; M235-F249 HydrophobicContact CB-CZ 4.32Å; M235-F249 HydrophobicContact CG-CD1 4.04Å; M235-F249 HydrophobicContact CG-CE1 3.75Å; M235-F249 HydrophobicContact CG-CZ 4.41Å; M235-F249 HydrophobicContact SD-CD1 4.47Å; M238-F249 HydrophobicContact CB-CZ 3.95Å; I239-F249 HydrophobicContact CD1-CD2 4.49Å; I239-F249 HydrophobicContact CD1-CE2 4.23Å; I239-F249 HydrophobicContact CG1-CD2 4.25Å; I239-F249 HydrophobicContact CG1-CE2 3.62Å; I239-F249 HydrophobicContact CG1-CZ 4.44Å; Y244-F249 HydrophobicContact CG-CE2 4.46Å; E246-F249 WeakPolarHBondContact O-CA 3.27Å; E246-F249 WeakPolarHBondContact O-CB 3.36Å; E246-F249 PolarHBondContact O-N 3.06Å; F249-F251 VanDerWaalsContact C-N 3.33Å; F249-F251 PolarHBondContact O-N 3.07Å; F249-I252 HydrophobicContact CD1-CD1 4.13Å; F249-I252 HydrophobicContact CE1-CD1 4.47Å; F249-I252 PolarHBondContact O-N 2.98Å; F249-Q253 VanDerWaalsContact O-CB 3.29Å; F249-Q253 WeakPolarHBondContact O-CB 3.48Å; F249-Q253 PolarHBondContact O-N 3.29Å
250D86.8Confident84.5Confident54 Ų5452 Ų5229%0.28925%0.246SC..Hα-helixtrans-61.2-42.4170.4-65.3-28000111.5E246 Q253 M254 L325E246-D250 PolarHBondContact O-N 3.1Å; D250-Q253 PolarHBondContact O-N 3.45Å; D250-M254 WeakPolarHBondContact O-CB 3.49Å; D250-M254 PolarHBondContact O-N 3.17Å; D250-L325 HydrophobicContact CB-CD2 3.87Å
251F85.8Confident84.8Confident0 Ų043.9 Ų43.90%021%0.211CC..Hα-helixtrans-64-42.4174.9-179.8-98.5000112.5E247 F249 M254 H255 L325 I328 F334 V337 I338E247-F251 VanDerWaalsContact O-CB 3.27Å; E247-F251 WeakPolarHBondContact O-CB 3.36Å; E247-F251 PolarHBondContact O-N 2.8Å; F249-F251 VanDerWaalsContact C-N 3.33Å; F249-F251 PolarHBondContact O-N 3.07Å; F251-M254 HydrophobicContact CD2-CE 3.72Å; F251-M254 HydrophobicContact CE2-CE 3.95Å; F251-H255 AromaticContact CE1-CD2 3.73Å; F251-H255 AromaticContact CE1-NE2 3.86Å; F251-H255 AromaticContact CE2-CD2 3.77Å; F251-H255 AromaticContact CE2-NE2 3.5Å; F251-H255 WeakPolarHBondContact CE2-NE2 3.15Å; F251-H255 AromaticContact CZ-CD2 3.54Å; F251-H255 AromaticContact CZ-NE2 3.22Å; F251-H255 WeakPolarHBondContact CZ-NE2 3.37Å; F251-H255 PolarHBondContact O-CD2 2.89Å; F251-H255 PolarHBondContact O-N 2.98Å; F251-H255 VanDerWaalsContact O-N 3.13Å; F251-L325 HydrophobicContact CB-CD1 4.11Å; F251-L325 HydrophobicContact CB-CD2 4.39Å; F251-L325 HydrophobicContact CD2-CD1 3.82Å; F251-L325 HydrophobicContact CG-CD1 4.47Å; F251-I328 HydrophobicContact CD2-CG2 3.87Å; F251-I328 HydrophobicContact CE2-CG2 4.16Å; F251-I328 HydrophobicContact CG-CG2 4.27Å; F251-F334 HydrophobicContact CD1-CD2 4.15Å; F251-F334 HydrophobicContact CD1-CE2 4.43Å; F251-F334 AromaticContact CE1-CD2 3.6Å; F251-F334 HydrophobicContact CE1-CD2 3.6Å; F251-F334 HydrophobicContact CE1-CE2 4.3Å; F251-F334 HydrophobicContact CE1-CG 4.44Å; F251-F334 HydrophobicContact CZ-CD2 4.5Å; F251-V337 HydrophobicContact CD1-CB 4Å; F251-V337 HydrophobicContact CD1-CG1 3.69Å; F251-V337 HydrophobicContact CD1-CG2 4.42Å; F251-V337 HydrophobicContact CE1-CB 3.5Å; F251-V337 HydrophobicContact CE1-CG1 3.75Å; F251-V337 HydrophobicContact CE1-CG2 3.74Å; F251-V337 HydrophobicContact CE2-CG2 4.09Å; F251-V337 HydrophobicContact CG-CG1 4.2Å; F251-V337 HydrophobicContact CZ-CB 3.9Å; F251-V337 HydrophobicContact CZ-CG1 4.33Å; F251-V337 HydrophobicContact CZ-CG2 3.55Å; F251-I338 HydrophobicContact CD1-CD1 4.5Å
252I88.3Confident85Confident3 Ų338.2 Ų38.22%0.01519%0.187CC..Hα-helixtrans-58.2-50.8170.2-68.6160.8000110.1I120 P123 I126 H248 F249 M254 H255 I256 F334 I338I120-I252 HydrophobicContact CD1-CD1 4.19Å; I120-I252 HydrophobicContact CD1-CG2 4.46Å; P123-I252 HydrophobicContact CB-CD1 3.72Å; I126-I252 HydrophobicContact CD1-CG2 4.23Å; H248-I252 WeakPolarHBondContact O-CD1 3.42Å; H248-I252 VanDerWaalsContact O-CG1 3.24Å; H248-I252 WeakPolarHBondContact O-CG1 3.43Å; H248-I252 PolarHBondContact O-N 3.29Å; F249-I252 HydrophobicContact CD1-CD1 4.13Å; F249-I252 HydrophobicContact CE1-CD1 4.47Å; F249-I252 PolarHBondContact O-N 2.98Å; I252-M254 PolarHBondContact O-N 3.26Å; I252-H255 PolarHBondContact O-N 3.04Å; I252-H255 VanDerWaalsContact O-N 3.15Å; I252-I256 HydrophobicContact CG2-CD1 3.55Å; I252-I256 HydrophobicContact CG2-CG1 4.2Å; I252-I256 WeakPolarHBondContact O-CG1 3.45Å; I252-I256 PolarHBondContact O-N 3.06Å; I252-F334 HydrophobicContact CG1-CE2 3.91Å; I252-F334 HydrophobicContact CG1-CZ 4.17Å; I252-I338 HydrophobicContact CD1-CD1 3.6Å; I252-I338 HydrophobicContact CG1-CD1 3.34Å
253Q89.1Confident85.9Confident9 Ų935 Ų354%0.04217%0.169CC..Hα-helixtrans-61.3-43.9-176-164.3-157.163.700111F249 D250 H255 I256 R257F249-Q253 VanDerWaalsContact O-CB 3.29Å; F249-Q253 WeakPolarHBondContact O-CB 3.48Å; F249-Q253 PolarHBondContact O-N 3.29Å; D250-Q253 PolarHBondContact O-N 3.45Å; Q253-H255 PolarHBondContact O-N 2.9Å; Q253-I256 PolarHBondContact O-N 2.75Å; Q253-R257 WeakPolarHBondContact O-CB 3.18Å; Q253-R257 WeakPolarHBondContact O-CG 3.17Å; Q253-R257 PolarHBondContact O-N 3.21Å; Q253-R257 VanDerWaalsContact OE1-NE 3.12Å
254M88Confident86.6Confident0 Ų026.7 Ų26.70%013%0.131CC..Hα-helixtrans-56.8-46.7173.7-179.1-166.663.600111.4D250 F251 I252 R257 R258 I318 L325 A330D250-M254 WeakPolarHBondContact O-CB 3.49Å; D250-M254 PolarHBondContact O-N 3.17Å; F251-M254 HydrophobicContact CD2-CE 3.72Å; F251-M254 HydrophobicContact CE2-CE 3.95Å; I252-M254 PolarHBondContact O-N 3.26Å; M254-R257 PolarHBondContact O-N 2.66Å; M254-R258 WeakPolarHBondContact O-CG 3.46Å; M254-R258 PolarHBondContact O-N 2.83Å; M254-I318 HydrophobicContact CG-CG2 3.74Å; M254-L325 HydrophobicContact CE-CD1 4.47Å; M254-A330 HydrophobicContact CE-CB 3.99Å; M254-A330 HydrophobicContact SD-CB 3.85Å
255H88Confident87.3Confident37 Ų3725.3 Ų25.317%0.17113%0.128CC..Hα-helixtrans-65.4-43.7178-90.2-78.7000113I127 F251 I252 Q253 R257 R258 F259I127-H255 HydrophobicContact CD1-CB 3.59Å; I127-H255 HydrophobicContact CG1-CB 4.46Å; F251-H255 AromaticContact CE1-CD2 3.73Å; F251-H255 AromaticContact CE1-NE2 3.86Å; F251-H255 AromaticContact CE2-CD2 3.77Å; F251-H255 AromaticContact CE2-NE2 3.5Å; F251-H255 WeakPolarHBondContact CE2-NE2 3.15Å; F251-H255 AromaticContact CZ-CD2 3.54Å; F251-H255 AromaticContact CZ-NE2 3.22Å; F251-H255 WeakPolarHBondContact CZ-NE2 3.37Å; F251-H255 PolarHBondContact O-CD2 2.89Å; F251-H255 PolarHBondContact O-N 2.98Å; F251-H255 VanDerWaalsContact O-N 3.13Å; I252-H255 PolarHBondContact O-N 3.04Å; I252-H255 VanDerWaalsContact O-N 3.15Å; Q253-H255 PolarHBondContact O-N 2.9Å; H255-R257 VanDerWaalsContact C-N 3.34Å; H255-R257 PolarHBondContact O-N 2.93Å; H255-R258 PolarHBondContact O-N 3.4Å; H255-F259 PolarHBondContact O-N 3.06Å
256I91.6Very high87.9Confident1 Ų123 Ų231%0.00511%0.112CC..Hα-helixtrans-65.4-38.7177-59.1169.3000110.6I126 L130 V227 V229 I252 Q253 F259 C260 L267I126-I256 HydrophobicContact CG2-CD1 3.8Å; I126-I256 HydrophobicContact CG2-CG1 3.97Å; L130-I256 HydrophobicContact CD1-CG1 4.39Å; L130-I256 HydrophobicContact CD1-CG2 4.25Å; V227-I256 HydrophobicContact CG1-CG2 4.1Å; V229-I256 HydrophobicContact CG2-CD1 3.81Å; I252-I256 HydrophobicContact CG2-CD1 3.55Å; I252-I256 HydrophobicContact CG2-CG1 4.2Å; I252-I256 WeakPolarHBondContact O-CG1 3.45Å; I252-I256 PolarHBondContact O-N 3.06Å; Q253-I256 PolarHBondContact O-N 2.75Å; I256-F259 WeakPolarHBondContact O-CB 3.37Å; I256-F259 PolarHBondContact O-N 3.43Å; I256-C260 PolarHBondContact O-N 3.36Å; I256-C260 PolarHBondContact O-SG 3.46Å; I256-C260 VanDerWaalsContact O-SG 3.33Å; I256-L267 HydrophobicContact CB-CD2 4.39Å; I256-L267 HydrophobicContact CG2-CD1 3.5Å; I256-L267 VanDerWaalsContact CG2-CD1 3.5Å; I256-L267 HydrophobicContact CG2-CD2 3.87Å; I256-L267 HydrophobicContact CG2-CG 4.34Å
257R91Very high88.5Confident5 Ų516.6 Ų16.62%0.0198%0.081CC..Hα-helixtrans-61.5-44173.3-72.6169.4-175.5-110.211.6112.4Q253 M254 H255 F259 C260 L261 L267 I300 I308 D313 I318 L321Q253-R257 WeakPolarHBondContact O-CB 3.18Å; Q253-R257 WeakPolarHBondContact O-CG 3.17Å; Q253-R257 PolarHBondContact O-N 3.21Å; Q253-R257 VanDerWaalsContact OE1-NE 3.12Å; M254-R257 PolarHBondContact O-N 2.66Å; H255-R257 VanDerWaalsContact C-N 3.34Å; H255-R257 PolarHBondContact O-N 2.93Å; R257-F259 VanDerWaalsContact C-N 3.31Å; R257-F259 PolarHBondContact O-N 3.27Å; R257-C260 PolarHBondContact O-N 2.89Å; R257-L261 WeakPolarHBondContact O-CB 3.22Å; R257-L261 PolarHBondContact O-N 3.3Å; R257-L267 HydrophobicContact CG-CD2 4.04Å; R257-I300 VanDerWaalsContact NH2-CG2 3.32Å; R257-I308 HydrophobicContact CG-CD1 3.78Å; R257-I308 VanDerWaalsContact NH1-CD1 3.3Å; R257-D313 WeakPolarHBondContact CD-OD2 3.39Å; R257-D313 WeakPolarHBondContact CG-OD2 3.4Å; R257-D313 IonicContact CZ-OD2 3.63Å; R257-D313 IonicContact NE-OD2 3.72Å; R257-D313 IonicContact NH1-OD1 2.69Å; R257-D313 IonicContact NH1-OD2 2.71Å; R257-D313 PolarHBondContact NH1-OD2 3.19Å; R257-I318 HydrophobicContact CB-CD1 3.84Å; R257-I318 HydrophobicContact CB-CG1 3.89Å; R257-I318 HydrophobicContact CB-CG2 4.43Å; R257-L321 VanDerWaalsContact NE-CD1 3.3Å
258R88.7Confident89.1Confident60 Ų6015.8 Ų15.823%0.2268%0.078CC..Hα-helixtrans-58.2-43.9175-72.9-178.7175.6172-2.3111.1M254 H255 S262 I318 N319 A330M254-R258 WeakPolarHBondContact O-CG 3.46Å; M254-R258 PolarHBondContact O-N 2.83Å; H255-R258 PolarHBondContact O-N 3.4Å; R258-S262 PolarHBondContact O-N 3.46Å; R258-I318 HydrophobicContact CG-CD1 4.45Å; R258-I318 HydrophobicContact CG-CG2 3.74Å; R258-N319 PolarHBondContact NH2-OD1 3.27Å; R258-A330 PolarHBondContact NH1-O 3.26Å
259F90.1Very high89.6Confident18 Ų1814.1 Ų14.18%0.0797%0.07CC..Hα-helixtrans-58.4-56172180-86.6000111.1M116 L130 E131 A134 V227 H255 I256 R257 L261 S262 Y263M116-F259 HydrophobicContact CE-CE1 4.17Å; M116-F259 HydrophobicContact CE-CZ 4.14Å; M116-F259 HydrophobicContact SD-CE1 4.45Å; M116-F259 HydrophobicContact SD-CZ 4.32Å; L130-F259 HydrophobicContact CB-CD1 4.34Å; L130-F259 HydrophobicContact CB-CD2 4.13Å; L130-F259 HydrophobicContact CB-CE1 3.96Å; L130-F259 HydrophobicContact CB-CE2 3.71Å; L130-F259 HydrophobicContact CB-CG 4.43Å; L130-F259 HydrophobicContact CB-CZ 3.63Å; L130-F259 HydrophobicContact CD1-CD1 4.1Å; L130-F259 HydrophobicContact CD1-CE1 4.36Å; L130-F259 HydrophobicContact CD1-CG 4.32Å; L130-F259 HydrophobicContact CD2-CE1 4.07Å; L130-F259 HydrophobicContact CD2-CZ 4.44Å; L130-F259 HydrophobicContact CG-CE1 4.35Å; L130-F259 HydrophobicContact CG-CZ 4.49Å; L130-F259 WeakPolarHBondContact O-CZ 3.37Å; E131-F259 HydrophobicContact CG-CE2 4.3Å; A134-F259 HydrophobicContact CB-CE2 4.36Å; A134-F259 HydrophobicContact CB-CZ 3.97Å; V227-F259 HydrophobicContact CG2-CD1 4.37Å; V227-F259 HydrophobicContact CG2-CE1 4.14Å; H255-F259 PolarHBondContact O-N 3.06Å; I256-F259 WeakPolarHBondContact O-CB 3.37Å; I256-F259 PolarHBondContact O-N 3.43Å; R257-F259 VanDerWaalsContact C-N 3.31Å; R257-F259 PolarHBondContact O-N 3.27Å; F259-L261 VanDerWaalsContact C-N 3.31Å; F259-L261 PolarHBondContact O-N 3.35Å; F259-S262 PolarHBondContact O-N 2.81Å; F259-S262 VanDerWaalsContact O-N 3.12Å; F259-S262 PolarHBondContact O-OG 2.94Å; F259-Y263 HydrophobicContact CD1-CD2 4.09Å; F259-Y263 HydrophobicContact CD2-CD2 4.06Å; F259-Y263 AromaticContact CD2-CE2 3.79Å; F259-Y263 HydrophobicContact CD2-CE2 3.79Å; F259-Y263 AromaticContact CE1-CD2 3.82Å; F259-Y263 HydrophobicContact CE1-CD2 3.82Å; F259-Y263 HydrophobicContact CE1-CE2 4.19Å; F259-Y263 AromaticContact CE2-CD2 3.81Å; F259-Y263 HydrophobicContact CE2-CD2 3.81Å; F259-Y263 AromaticContact CE2-CE2 3.33Å; F259-Y263 HydrophobicContact CE2-CE2 3.33Å; F259-Y263 HydrophobicContact CG-CD2 4.19Å; F259-Y263 HydrophobicContact CG-CE2 4.38Å; F259-Y263 AromaticContact CZ-CD2 3.67Å; F259-Y263 HydrophobicContact CZ-CD2 3.67Å; F259-Y263 AromaticContact CZ-CE2 3.55Å; F259-Y263 HydrophobicContact CZ-CE2 3.55Å; F259-Y263 WeakPolarHBondContact O-CD2 3.43Å; F259-Y263 PolarHBondContact O-N 2.98Å
260C90.9Very high89.9Confident7 Ų712.9 Ų12.95%0.0476%0.064CC..Hα-helixtrans-55.5-42.7-179.6-70.10000113I256 R257 S262 Y263 G264 A265I256-C260 PolarHBondContact O-N 3.36Å; I256-C260 PolarHBondContact O-SG 3.46Å; I256-C260 VanDerWaalsContact O-SG 3.33Å; R257-C260 PolarHBondContact O-N 2.89Å; C260-S262 PolarHBondContact O-N 2.81Å; C260-Y263 PolarHBondContact O-N 3.14Å; C260-G264 CarbonylContact O-C 3.59Å; C260-G264 WeakPolarHBondContact O-CA 3.33Å; C260-G264 PolarHBondContact O-N 3.06Å; C260-A265 HydrophobicContact CB-CB 4.19Å; C260-A265 PolarHBondContact O-N 2.84Å
261L88.5Confident90.2Very high5 Ų510.3 Ų10.33%0.0265%0.051CC..Hα-helixtrans-63.3-40.4178.7-17555.9000112.6F162 V216 L217 R257 F259 Y263 G264 H315 I318F162-L261 HydrophobicContact CZ-CD1 3.76Å; V216-L261 HydrophobicContact CB-CD1 4.47Å; V216-L261 HydrophobicContact CG1-CD1 4.05Å; V216-L261 HydrophobicContact CG2-CD1 3.99Å; V216-L261 HydrophobicContact CG2-CD2 4.3Å; V216-L261 HydrophobicContact CG2-CG 4.13Å; L217-L261 PolarHBondContact N-O 3.12Å; R257-L261 WeakPolarHBondContact O-CB 3.22Å; R257-L261 PolarHBondContact O-N 3.3Å; F259-L261 VanDerWaalsContact C-N 3.31Å; F259-L261 PolarHBondContact O-N 3.35Å; L261-Y263 VanDerWaalsContact C-N 3.27Å; L261-Y263 PolarHBondContact O-N 2.91Å; L261-G264 PolarHBondContact O-N 2.88Å; L261-H315 WeakPolarHBondContact CD2-NE2 3.35Å; L261-I318 HydrophobicContact CB-CD1 4.17Å; L261-I318 HydrophobicContact CD2-CD1 3.62Å
262S87.3Confident90.4Very high23 Ų2312.4 Ų12.416%0.1616%0.064CC..Hα-helixtrans-66.7-25176.9730000114.5N215 L217 N218 N219 R258 F259 C260N215-S262 WeakPolarHBondContact O-CA 3.5Å; L217-S262 CarbonylContact C-O 3.36Å; N218-S262 PolarHBondContact N-O 3.3Å; N219-S262 PolarHBondContact N-O 3.33Å; R258-S262 PolarHBondContact O-N 3.46Å; F259-S262 PolarHBondContact O-N 2.81Å; F259-S262 VanDerWaalsContact O-N 3.12Å; F259-S262 PolarHBondContact O-OG 2.94Å; C260-S262 PolarHBondContact O-N 2.81Å
263Y87Confident90.4Very high25 Ų2519.7 Ų19.710%0.09810%0.095CC..Hα-helixtrans-101.8-12.4178.9-78.4-80.6000113.8A134 N219 L221 L225 F259 C260 L261A134-Y263 HydrophobicContact CB-CE1 3.76Å; A134-Y263 HydrophobicContact CB-CE2 4.24Å; A134-Y263 WeakPolarHBondContact CB-OH 3.39Å; N219-Y263 HydrophobicContact CB-CD1 3.66Å; N219-Y263 HydrophobicContact CB-CE1 3.4Å; N219-Y263 VanDerWaalsContact CB-CE1 3.4Å; N219-Y263 HydrophobicContact CB-CE2 4.31Å; N219-Y263 HydrophobicContact CB-CG 4.23Å; N219-Y263 PolarHBondContact ND2-OH 3.12Å; N219-Y263 VanDerWaalsContact ND2-OH 3.16Å; N219-Y263 WeakPolarHBondContact O-CD1 3.4Å; L221-Y263 HydrophobicContact CD1-CD1 4.26Å; L221-Y263 HydrophobicContact CD1-CE1 4.15Å; L221-Y263 HydrophobicContact CG-CD1 4.26Å; L221-Y263 HydrophobicContact CG-CE1 4.3Å; L225-Y263 HydrophobicContact CD1-CD1 3.97Å; L225-Y263 HydrophobicContact CD1-CG 4.25Å; F259-Y263 HydrophobicContact CD1-CD2 4.09Å; F259-Y263 HydrophobicContact CD2-CD2 4.06Å; F259-Y263 AromaticContact CD2-CE2 3.79Å; F259-Y263 HydrophobicContact CD2-CE2 3.79Å; F259-Y263 AromaticContact CE1-CD2 3.82Å; F259-Y263 HydrophobicContact CE1-CD2 3.82Å; F259-Y263 HydrophobicContact CE1-CE2 4.19Å; F259-Y263 AromaticContact CE2-CD2 3.81Å; F259-Y263 HydrophobicContact CE2-CD2 3.81Å; F259-Y263 AromaticContact CE2-CE2 3.33Å; F259-Y263 HydrophobicContact CE2-CE2 3.33Å; F259-Y263 HydrophobicContact CG-CD2 4.19Å; F259-Y263 HydrophobicContact CG-CE2 4.38Å; F259-Y263 AromaticContact CZ-CD2 3.67Å; F259-Y263 HydrophobicContact CZ-CD2 3.67Å; F259-Y263 AromaticContact CZ-CE2 3.55Å; F259-Y263 HydrophobicContact CZ-CE2 3.55Å; F259-Y263 WeakPolarHBondContact O-CD2 3.43Å; F259-Y263 PolarHBondContact O-N 2.98Å; C260-Y263 PolarHBondContact O-N 3.14Å; L261-Y263 VanDerWaalsContact C-N 3.27Å; L261-Y263 PolarHBondContact O-N 2.91Å
264G85.8Confident90.3Very high7 Ų723 Ų237%0.07211%0.111CC..THydrogen-bonded Turntrans72.625.3-170.300000114L217 C260 L261 A310L217-G264 VanDerWaalsContact CD2-CA 3.49Å; C260-G264 CarbonylContact O-C 3.59Å; C260-G264 WeakPolarHBondContact O-CA 3.33Å; C260-G264 PolarHBondContact O-N 3.06Å; L261-G264 PolarHBondContact O-N 2.88Å; G264-A310 VanDerWaalsContact O-CB 3.23Å; G264-A310 WeakPolarHBondContact O-CB 3.32Å
265A91.4Very high90.3Very high7 Ų726.3 Ų26.36%0.05813%0.128CC..  trans-86.5150.1-17500000113L225 V227 C260L225-A265 HydrophobicContact CB-CB 3.59Å; L225-A265 VanDerWaalsContact O-CA 3.25Å; L225-A265 WeakPolarHBondContact O-CA 3.4Å; V227-A265 HydrophobicContact CG2-CB 4.22Å; C260-A265 HydrophobicContact CB-CB 4.19Å; C260-A265 PolarHBondContact O-N 2.84Å
266A92.9Very high90.2Very high1 Ų126.8 Ų26.81%0.00813%0.13CC..EExtended strand (participates in β ladder)trans-80.3154.116600000110.7L225 I226 V227 F268 Y284 I308 A310L225-A266 PolarHBondContact O-N 3.19Å; I226-A266 HydrophobicContact CG1-CB 4.43Å; V227-A266 PolarHBondContact N-O 2.86Å; A266-F268 HydrophobicContact CB-CD2 4.45Å; A266-F268 HydrophobicContact CB-CE2 3.96Å; A266-Y284 HydrophobicContact CB-CD1 4.46Å; A266-Y284 HydrophobicContact CB-CE1 3.53Å; A266-I308 CarbonylContact C-O 3.47Å; A266-I308 WeakPolarHBondContact CA-O 3.32Å; A266-A310 HydrophobicContact CB-CB 4.33Å
267L94.5Very high90.1Very high2 Ų228.3 Ų28.31%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-121.8131178.8-176.555.6000111.5V227 V229 I256 R257 Y269 F307 I308V227-L267 HydrophobicContact CB-CD1 4.03Å; V227-L267 HydrophobicContact CG1-CD1 3.81Å; V227-L267 WeakPolarHBondContact O-CA 3.47Å; V229-L267 HydrophobicContact CG2-CD1 4.22Å; I256-L267 HydrophobicContact CB-CD2 4.39Å; I256-L267 HydrophobicContact CG2-CD1 3.5Å; I256-L267 VanDerWaalsContact CG2-CD1 3.5Å; I256-L267 HydrophobicContact CG2-CD2 3.87Å; I256-L267 HydrophobicContact CG2-CG 4.34Å; R257-L267 HydrophobicContact CG-CD2 4.04Å; L267-Y269 HydrophobicContact CD1-CD2 4.3Å; L267-Y269 HydrophobicContact CD1-CE2 4.03Å; L267-Y269 HydrophobicContact CD2-CE2 4.04Å; L267-Y269 HydrophobicContact CG-CD2 4.26Å; L267-Y269 HydrophobicContact CG-CE2 4.05Å; L267-F307 WeakPolarHBondContact O-CA 3.4Å; L267-I308 HydrophobicContact CB-CB 4.22Å; L267-I308 HydrophobicContact CB-CD1 4.31Å; L267-I308 HydrophobicContact CB-CG1 4.4Å; L267-I308 HydrophobicContact CD2-CD1 4.01Å; L267-I308 PolarHBondContact N-O 2.92Å; L267-I308 PolarHBondContact O-N 3.35Å
268F94.9Very high90Very high0 Ų028.2 Ų28.20%014%0.138CC..EExtended strand (participates in β ladder)trans-132.1134.8179.6-76.4-99.2000110.8I226 V227 V228 V229 A266 V270 L280 L281 Y284 V306 F307I226-F268 HydrophobicContact CG2-CD2 3.6Å; I226-F268 HydrophobicContact CG2-CE2 3.9Å; V227-F268 PolarHBondContact O-N 3.48Å; V228-F268 CarbonylContact C-O 3.41Å; V228-F268 WeakPolarHBondContact CA-O 3.46Å; V228-F268 HydrophobicContact CG2-CB 3.81Å; V229-F268 PolarHBondContact N-O 3.26Å; A266-F268 HydrophobicContact CB-CD2 4.45Å; A266-F268 HydrophobicContact CB-CE2 3.96Å; F268-V270 HydrophobicContact CB-CG2 4.1Å; F268-L280 HydrophobicContact CE1-CG 4.17Å; F268-L281 HydrophobicContact CD1-CB 4.09Å; F268-L281 HydrophobicContact CD1-CD1 4.13Å; F268-L281 HydrophobicContact CD2-CD1 4.07Å; F268-L281 HydrophobicContact CE1-CB 4.23Å; F268-L281 HydrophobicContact CE1-CD1 4.32Å; F268-L281 HydrophobicContact CE2-CD1 4.27Å; F268-L281 HydrophobicContact CG-CD1 4Å; F268-L281 HydrophobicContact CZ-CD1 4.39Å; F268-Y284 AromaticContact CE2-CD1 3.58Å; F268-Y284 HydrophobicContact CE2-CD1 3.58Å; F268-Y284 HydrophobicContact CE2-CE1 4.02Å; F268-Y284 HydrophobicContact CE2-CG 4.04Å; F268-Y284 VanDerWaalsContact CZ-CB 3.49Å; F268-Y284 AromaticContact CZ-CD1 3.54Å; F268-Y284 HydrophobicContact CZ-CD1 3.54Å; F268-Y284 HydrophobicContact CZ-CD2 4.24Å; F268-Y284 HydrophobicContact CZ-CE1 4.3Å; F268-Y284 AromaticContact CZ-CG 3.49Å; F268-Y284 HydrophobicContact CZ-CG 3.49Å; F268-Y284 VanDerWaalsContact CZ-CG 3.49Å; F268-V306 CarbonylContact C-O 3.56Å; F268-F307 AromaticContact CD1-CD2 3.86Å; F268-F307 HydrophobicContact CD1-CD2 3.86Å; F268-F307 HydrophobicContact CD2-CD2 4.33Å; F268-F307 AromaticContact CE1-CD2 3.39Å; F268-F307 HydrophobicContact CE1-CD2 3.39Å; F268-F307 AromaticContact CE1-CE2 3.69Å; F268-F307 HydrophobicContact CE1-CE2 3.69Å; F268-F307 HydrophobicContact CE1-CG 4.3Å; F268-F307 AromaticContact CE2-CD2 3.91Å; F268-F307 HydrophobicContact CE2-CD2 3.91Å; F268-F307 AromaticContact CE2-CE2 3.79Å; F268-F307 HydrophobicContact CE2-CE2 3.79Å; F268-F307 HydrophobicContact CG-CD2 4.3Å; F268-F307 AromaticContact CZ-CD2 3.4Å; F268-F307 HydrophobicContact CZ-CD2 3.4Å; F268-F307 VanDerWaalsContact CZ-CD2 3.4Å; F268-F307 AromaticContact CZ-CE2 3.23Å; F268-F307 HydrophobicContact CZ-CE2 3.23Å; F268-F307 HydrophobicContact CZ-CZ 4.34Å
269Y94.5Very high90Very high6 Ų629.3 Ų29.32%0.02415%0.148CC..EExtended strand (participates in β ladder)trans-109.3120.8171.1-84.1-140.3000107.6V229 T232 M235 L267 N277 G303 V306V229-Y269 HydrophobicContact CB-CD2 3.83Å; V229-Y269 HydrophobicContact CB-CE2 3.97Å; V229-Y269 HydrophobicContact CB-CG 4.19Å; V229-Y269 HydrophobicContact CG2-CD2 3.87Å; V229-Y269 HydrophobicContact CG2-CE2 3.57Å; T232-Y269 HydrophobicContact CG2-CD1 4.04Å; T232-Y269 HydrophobicContact CG2-CG 4.21Å; M235-Y269 HydrophobicContact CE-CD1 3.68Å; M235-Y269 HydrophobicContact CE-CE1 3.58Å; L267-Y269 HydrophobicContact CD1-CD2 4.3Å; L267-Y269 HydrophobicContact CD1-CE2 4.03Å; L267-Y269 HydrophobicContact CD2-CE2 4.04Å; L267-Y269 HydrophobicContact CG-CD2 4.26Å; L267-Y269 HydrophobicContact CG-CE2 4.05Å; Y269-N277 WeakPolarHBondContact O-CB 3.47Å; Y269-N277 PolarHBondContact O-ND2 2.75Å; Y269-G303 WeakPolarHBondContact CD1-O 3.47Å; Y269-G303 WeakPolarHBondContact CE1-O 3.46Å; Y269-V306 WeakPolarHBondContact CB-O 3.26Å; Y269-V306 HydrophobicContact CD1-CB 3.96Å; Y269-V306 HydrophobicContact CD1-CG2 3.7Å; Y269-V306 HydrophobicContact CD2-CB 3.8Å; Y269-V306 HydrophobicContact CD2-CG1 4.43Å; Y269-V306 HydrophobicContact CD2-CG2 4.37Å; Y269-V306 HydrophobicContact CE1-CB 4.42Å; Y269-V306 HydrophobicContact CE1-CG2 3.95Å; Y269-V306 HydrophobicContact CE2-CB 4.3Å; Y269-V306 HydrophobicContact CG-CB 3.64Å; Y269-V306 HydrophobicContact CG-CG2 3.94Å; Y269-V306 PolarHBondContact N-O 2.85Å
270V93.6Very high90.1Very high0 Ų029.4 Ų29.40%015%0.149CC..EExtended strand (participates in β ladder)trans-133.8134.5-166-1790000111L51 V228 V229 T230 K231 F268 N277 C278L51-V270 HydrophobicContact CD1-CG1 3.95Å; V228-V270 HydrophobicContact CG1-CB 4Å; V228-V270 HydrophobicContact CG1-CG2 3.8Å; V229-V270 PolarHBondContact O-N 3.44Å; T230-V270 CarbonylContact C-O 3.57Å; T230-V270 WeakPolarHBondContact CA-O 3.41Å; K231-V270 PolarHBondContact N-O 3.18Å; F268-V270 HydrophobicContact CB-CG2 4.1Å; V270-N277 HydrophobicContact CG2-CB 4.12Å; V270-C278 VanDerWaalsContact CG1-SG 3.58Å
271S92.6Very high90.1Very high0 Ų029 Ų290%015%0.147CC..BIsolated β-bridgetrans-122.3113.3163.9178.90000109.8D233 K273 E274 D275 K276D233-S271 PolarHBondContact OD1-OG 3.29Å; S271-K273 PolarHBondContact O-N 3.08Å; S271-K273 PolarHBondContact OG-N 3.34Å; S271-E274 PolarHBondContact OG-N 3.15Å; S271-E274 VanDerWaalsContact OG-N 3.15Å; S271-D275 CarbonylContact O-C 3.58Å; S271-D275 VanDerWaalsContact O-CA 3.23Å; S271-D275 WeakPolarHBondContact O-CA 3.37Å; S271-D275 PolarHBondContact O-N 2.94Å; S271-K276 PolarHBondContact N-O 3.5Å; S271-K276 PolarHBondContact O-N 3.3Å
272V90.3Very high90.2Very high45 Ų4530.2 Ų30.227%0.27315%0.154SC..THydrogen-bonded Turntrans-66.8-12.9171.5-177.50000111.7T50 L51 R54T50-V272 HydrophobicContact CG2-CG1 4.22Å; L51-V272 HydrophobicContact CB-CG2 4.42Å; L51-V272 HydrophobicContact CD1-CG2 3.88Å; R54-V272 HydrophobicContact CB-CG1 3.82Å; R54-V272 HydrophobicContact CG-CG1 3.95Å
273K87Confident90.2Very high156 Ų15635.6 Ų35.668%0.67817%0.17SC*.THydrogen-bonded Turntrans-95.3-34.9-178.1-178-158.1176.3-175.40113D233 S271 D275D233-K273 HydrophobicContact CB-CD 4.33Å; D233-K273 WeakPolarHBondContact OD2-CD 3.46Å; D233-K273 IonicContact OD2-NZ 3.01Å; D233-K273 PolarHBondContact OD2-NZ 2.84Å; S271-K273 PolarHBondContact O-N 3.08Å; S271-K273 PolarHBondContact OG-N 3.34Å; K273-D275 VanDerWaalsContact C-N 3.34Å
274E87.3Confident90.4Very high79 Ų7934.6 Ų34.637%0.36917%0.166SC..THydrogen-bonded Turntrans-93.33168.5-66.9-173.8-160.300112.3D233 K236 S271 K276D233-E274 HydrophobicContact CB-CG 4.04Å; D233-E274 WeakPolarHBondContact CB-OE1 3.31Å; K236-E274 IonicContact NZ-OE1 2.75Å; K236-E274 PolarHBondContact NZ-OE1 2.89Å; K236-E274 IonicContact NZ-OE2 2.71Å; K236-E274 PolarHBondContact NZ-OE2 3.1Å; S271-E274 PolarHBondContact OG-N 3.15Å; S271-E274 VanDerWaalsContact OG-N 3.15Å; E274-K276 HydrophobicContact CB-CD 4.24Å; E274-K276 HydrophobicContact CB-CG 4.01Å; E274-K276 PolarHBondContact O-N 3.35Å; E274-K276 WeakPolarHBondContact OE2-CD 3.31Å; E274-K276 WeakPolarHBondContact OE2-CE 3.47Å
275D87.9Confident90.6Very high68 Ų6834.3 Ų34.336%0.36416%0.163SC..THydrogen-bonded Turntrans54.214.1-172.2-148.127.3000115.6R54 S271 K273 N277R54-D275 IonicContact CZ-OD1 3.73Å; R54-D275 IonicContact CZ-OD2 3.71Å; R54-D275 IonicContact NE-OD1 3.99Å; R54-D275 PolarHBondContact NE-OD1 3.2Å; R54-D275 IonicContact NE-OD2 3.89Å; R54-D275 IonicContact NH2-OD1 2.83Å; R54-D275 PolarHBondContact NH2-OD1 3.46Å; R54-D275 IonicContact NH2-OD2 3.75Å; R54-D275 PolarHBondContact NH2-OD2 3.32Å; S271-D275 CarbonylContact O-C 3.58Å; S271-D275 VanDerWaalsContact O-CA 3.23Å; S271-D275 WeakPolarHBondContact O-CA 3.37Å; S271-D275 PolarHBondContact O-N 2.94Å; K273-D275 VanDerWaalsContact C-N 3.34Å; D275-N277 PolarHBondContact O-N 3.13Å
276K87.5Confident90.4Very high47 Ų4735.8 Ų35.820%0.20417%0.169CC..BIsolated β-bridgetrans-65.2127.1-179.7-75.2-176.8161.1-148.90111.1S271 E274 C278 E302 D304 C305S271-K276 PolarHBondContact N-O 3.5Å; S271-K276 PolarHBondContact O-N 3.3Å; E274-K276 HydrophobicContact CB-CD 4.24Å; E274-K276 HydrophobicContact CB-CG 4.01Å; E274-K276 PolarHBondContact O-N 3.35Å; E274-K276 WeakPolarHBondContact OE2-CD 3.31Å; E274-K276 WeakPolarHBondContact OE2-CE 3.47Å; K276-C278 PolarHBondContact O-N 3.29Å; K276-E302 IonicContact NZ-OE2 3.97Å; K276-E302 PolarHBondContact NZ-OE2 3.3Å; K276-D304 IonicContact NZ-OD1 2.65Å; K276-D304 PolarHBondContact NZ-OD1 2.95Å; K276-D304 IonicContact NZ-OD2 2.98Å; K276-D304 PolarHBondContact NZ-OD2 3.19Å; K276-C305 VanDerWaalsContact CD-SG 3.55Å; K276-C305 VanDerWaalsContact CE-SG 3.57Å; K276-C305 PolarHBondContact NZ-SG 3.22Å
277N89.1Confident90.1Very high33 Ų3338.3 Ų38.318%0.17618%0.181CC..THydrogen-bonded Turntrans62.55.5175.2-70.1-21.8000118Y269 V270 D275 L280 L281 C305Y269-N277 WeakPolarHBondContact O-CB 3.47Å; Y269-N277 PolarHBondContact O-ND2 2.75Å; V270-N277 HydrophobicContact CG2-CB 4.12Å; D275-N277 PolarHBondContact O-N 3.13Å; N277-L280 PolarHBondContact O-N 2.98Å; N277-L281 WeakPolarHBondContact O-CB 3.22Å; N277-L281 PolarHBondContact O-N 3.01Å; N277-C305 VanDerWaalsContact ND2-C 3.27Å; N277-C305 PolarHBondContact ND2-O 2.89Å
278C88.4Confident89.6Confident3 Ų340.3 Ų40.32%0.0219%0.188CC..Hα-helixtrans-62-50.8176.5-61.60000111.6R54 L55 V270 K276 L280 L281 N282R54-C278 HydrophobicContact CG-CB 4.28Å; L55-C278 WeakPolarHBondContact CD2-O 3.46Å; V270-C278 VanDerWaalsContact CG1-SG 3.58Å; K276-C278 PolarHBondContact O-N 3.29Å; C278-L280 VanDerWaalsContact C-N 3.29Å; C278-L280 PolarHBondContact O-N 2.86Å; C278-L281 PolarHBondContact O-N 2.98Å; C278-N282 PolarHBondContact O-N 2.76Å
279D89.2Confident89.1Confident83 Ų8341.3 Ų41.344%0.44419%0.193SC..Hα-helixtrans-54.6-41.9172.1-89.818.6000113.4N282 R283D279-N282 WeakPolarHBondContact O-CB 3.36Å; D279-N282 PolarHBondContact O-N 2.84Å; D279-R283 WeakPolarHBondContact O-CG 3.21Å; D279-R283 PolarHBondContact O-N 3.38Å; D279-R283 IonicContact OD2-CZ 3.81Å; D279-R283 IonicContact OD2-NH1 2.77Å; D279-R283 IonicContact OD2-NH2 2.9Å; D279-R283 PolarHBondContact OD2-NH2 2.94Å
280L90.6Very high88.5Confident20 Ų2042.4 Ų42.411%0.10520%0.197CC..Hα-helixtrans-70.4-39.8-175.3-174.561.2000111.2F268 N277 C278 N282 Y284 F294 Q296 F307F268-L280 HydrophobicContact CE1-CG 4.17Å; N277-L280 PolarHBondContact O-N 2.98Å; C278-L280 VanDerWaalsContact C-N 3.29Å; C278-L280 PolarHBondContact O-N 2.86Å; L280-N282 VanDerWaalsContact C-N 3.34Å; L280-Y284 WeakPolarHBondContact O-CB 3.4Å; L280-Y284 PolarHBondContact O-N 3.05Å; L280-F294 HydrophobicContact CD1-CE2 3.78Å; L280-F294 HydrophobicContact CD1-CZ 3.64Å; L280-F294 HydrophobicContact CG-CZ 4.45Å; L280-Q296 HydrophobicContact CD1-CB 3.9Å; L280-Q296 HydrophobicContact CD1-CG 3.68Å; L280-Q296 HydrophobicContact CD2-CG 4.2Å; L280-F307 HydrophobicContact CD2-CB 3.99Å; L280-F307 HydrophobicContact CD2-CD1 3.86Å; L280-F307 HydrophobicContact CD2-CD2 4.44Å; L280-F307 HydrophobicContact CD2-CG 3.81Å
281L91.7Very high87.8Confident0 Ų045.5 Ų45.50%023%0.229CC..Hα-helixtrans-60.1-44.4170.4178.165.4000110.9L51 L55 I226 V228 F268 N277 C278 Y284 I285L51-L281 HydrophobicContact CD1-CD2 4.18Å; L51-L281 HydrophobicContact CD2-CD2 4.03Å; L51-L281 HydrophobicContact CG-CD2 4.42Å; L55-L281 HydrophobicContact CD1-CD2 4.28Å; I226-L281 HydrophobicContact CG2-CD1 4Å; V228-L281 HydrophobicContact CG2-CD1 3.75Å; V228-L281 HydrophobicContact CG2-CD2 3.69Å; V228-L281 HydrophobicContact CG2-CG 4.37Å; F268-L281 HydrophobicContact CD1-CB 4.09Å; F268-L281 HydrophobicContact CD1-CD1 4.13Å; F268-L281 HydrophobicContact CD2-CD1 4.07Å; F268-L281 HydrophobicContact CE1-CB 4.23Å; F268-L281 HydrophobicContact CE1-CD1 4.32Å; F268-L281 HydrophobicContact CE2-CD1 4.27Å; F268-L281 HydrophobicContact CG-CD1 4Å; F268-L281 HydrophobicContact CZ-CD1 4.39Å; N277-L281 WeakPolarHBondContact O-CB 3.22Å; N277-L281 PolarHBondContact O-N 3.01Å; C278-L281 PolarHBondContact O-N 2.98Å; L281-Y284 PolarHBondContact O-N 3.19Å; L281-I285 HydrophobicContact CD1-CD1 3.93Å; L281-I285 HydrophobicContact CD1-CG1 4.22Å; L281-I285 HydrophobicContact CG-CD1 3.83Å; L281-I285 HydrophobicContact CG-CG1 4.49Å; L281-I285 WeakPolarHBondContact O-CB 3.38Å; L281-I285 VanDerWaalsContact O-CG1 3.28Å; L281-I285 WeakPolarHBondContact O-CG1 3.42Å; L281-I285 PolarHBondContact O-N 3.39Å
282N90Very high87.2Confident30 Ų3047 Ų4716%0.1624%0.236CC..Hα-helixtrans-58.7-54.1177.1-155.8-7.7000111.1L55 C278 D279 L280 Y284 I285 Q286L55-N282 HydrophobicContact CD2-CB 3.58Å; C278-N282 PolarHBondContact O-N 2.76Å; D279-N282 WeakPolarHBondContact O-CB 3.36Å; D279-N282 PolarHBondContact O-N 2.84Å; L280-N282 VanDerWaalsContact C-N 3.34Å; N282-Y284 VanDerWaalsContact C-N 3.27Å; N282-Y284 PolarHBondContact O-N 2.64Å; N282-I285 PolarHBondContact O-N 3.48Å; N282-Q286 WeakPolarHBondContact O-CB 3.35Å; N282-Q286 VanDerWaalsContact O-CG 3.23Å; N282-Q286 WeakPolarHBondContact O-CG 3.12Å; N282-Q286 PolarHBondContact O-N 2.98Å; N282-Q286 PolarHBondContact OD1-NE2 2.93Å
283R88.4Confident86.7Confident136 Ų13651.2 Ų51.251%0.51326%0.263SS..Hα-helixtrans-59.1-35.4178-67.9176.6-165.7125.518.3112.6D279 H287 F294D279-R283 WeakPolarHBondContact O-CG 3.21Å; D279-R283 PolarHBondContact O-N 3.38Å; D279-R283 IonicContact OD2-CZ 3.81Å; D279-R283 IonicContact OD2-NH1 2.77Å; D279-R283 IonicContact OD2-NH2 2.9Å; D279-R283 PolarHBondContact OD2-NH2 2.94Å; R283-H287 WeakPolarHBondContact O-CB 3.29Å; R283-H287 PolarHBondContact O-N 3.28Å; R283-F294 HydrophobicContact CB-CD2 4.34Å; R283-F294 HydrophobicContact CB-CE2 4.22Å
284Y90.5Very high86.3Confident3 Ų345.4 Ų45.41%0.01224%0.238CC..Hα-helixtrans-74.3-40178.1-169.8-102.8000113.5I226 A266 F268 L280 L281 N282 Q286 H287 R288 F294 F307 P309 A310I226-Y284 HydrophobicContact CD1-CD1 3.93Å; I226-Y284 HydrophobicContact CD1-CE1 4.22Å; I226-Y284 HydrophobicContact CG1-CE1 4.42Å; A266-Y284 HydrophobicContact CB-CD1 4.46Å; A266-Y284 HydrophobicContact CB-CE1 3.53Å; F268-Y284 AromaticContact CE2-CD1 3.58Å; F268-Y284 HydrophobicContact CE2-CD1 3.58Å; F268-Y284 HydrophobicContact CE2-CE1 4.02Å; F268-Y284 HydrophobicContact CE2-CG 4.04Å; F268-Y284 VanDerWaalsContact CZ-CB 3.49Å; F268-Y284 AromaticContact CZ-CD1 3.54Å; F268-Y284 HydrophobicContact CZ-CD1 3.54Å; F268-Y284 HydrophobicContact CZ-CD2 4.24Å; F268-Y284 HydrophobicContact CZ-CE1 4.3Å; F268-Y284 AromaticContact CZ-CG 3.49Å; F268-Y284 HydrophobicContact CZ-CG 3.49Å; F268-Y284 VanDerWaalsContact CZ-CG 3.49Å; L280-Y284 WeakPolarHBondContact O-CB 3.4Å; L280-Y284 PolarHBondContact O-N 3.05Å; L281-Y284 PolarHBondContact O-N 3.19Å; N282-Y284 VanDerWaalsContact C-N 3.27Å; N282-Y284 PolarHBondContact O-N 2.64Å; Y284-Q286 VanDerWaalsContact C-N 3.32Å; Y284-H287 PolarHBondContact O-N 3.48Å; Y284-R288 HydrophobicContact CD1-CG 4.12Å; Y284-R288 HydrophobicContact CE1-CG 3.66Å; Y284-R288 HydrophobicContact CE2-CG 4.36Å; Y284-R288 WeakPolarHBondContact O-CB 3.49Å; Y284-R288 PolarHBondContact O-N 3.42Å; Y284-R288 PolarHBondContact OH-NE 3.04Å; Y284-R288 PolarHBondContact OH-NH2 3.38Å; Y284-R288 VanDerWaalsContact OH-NH2 3.16Å; Y284-F294 HydrophobicContact CD2-CD1 4.2Å; Y284-F294 HydrophobicContact CD2-CD2 4.29Å; Y284-F294 AromaticContact CD2-CE1 3.77Å; Y284-F294 HydrophobicContact CD2-CE1 3.77Å; Y284-F294 AromaticContact CD2-CE2 3.88Å; Y284-F294 HydrophobicContact CD2-CE2 3.88Å; Y284-F294 HydrophobicContact CD2-CG 4.43Å; Y284-F294 AromaticContact CD2-CZ 3.59Å; Y284-F294 HydrophobicContact CD2-CZ 3.59Å; Y284-F294 HydrophobicContact CE2-CE1 4.3Å; Y284-F294 HydrophobicContact CG-CE2 4.35Å; Y284-F294 HydrophobicContact CG-CZ 4.3Å; Y284-F307 HydrophobicContact CD2-CE2 4.27Å; Y284-F307 HydrophobicContact CD2-CZ 4.19Å; Y284-F307 HydrophobicContact CE2-CE2 4.4Å; Y284-F307 HydrophobicContact CE2-CZ 4.29Å; Y284-P309 HydrophobicContact CE2-CB 3.83Å; Y284-A310 PolarHBondContact OH-N 2.88Å
285I89.7Confident86Confident2 Ų246.7 Ų46.71%0.0126%0.256CS..Hα-helixtrans-58-49.8170.2-71.2167000108.4L38 L85 M113 I226 L281 N282 H287 R288 I289L38-I285 HydrophobicContact CD2-CD1 4.05Å; L38-I285 HydrophobicContact CD2-CG2 4.41Å; L85-I285 HydrophobicContact CD2-CG2 3.81Å; M113-I285 HydrophobicContact SD-CG1 4.41Å; M113-I285 HydrophobicContact SD-CG2 4.39Å; I226-I285 HydrophobicContact CD1-CG1 3.81Å; L281-I285 HydrophobicContact CD1-CD1 3.93Å; L281-I285 HydrophobicContact CD1-CG1 4.22Å; L281-I285 HydrophobicContact CG-CD1 3.83Å; L281-I285 HydrophobicContact CG-CG1 4.49Å; L281-I285 WeakPolarHBondContact O-CB 3.38Å; L281-I285 VanDerWaalsContact O-CG1 3.28Å; L281-I285 WeakPolarHBondContact O-CG1 3.42Å; L281-I285 PolarHBondContact O-N 3.39Å; N282-I285 PolarHBondContact O-N 3.48Å; I285-H287 PolarHBondContact O-N 2.82Å; I285-R288 PolarHBondContact O-N 3.36Å; I285-I289 HydrophobicContact CG2-CD1 3.58Å; I285-I289 HydrophobicContact CG2-CG1 4.15Å; I285-I289 WeakPolarHBondContact O-CB 3.43Å; I285-I289 VanDerWaalsContact O-CG1 3.27Å; I285-I289 WeakPolarHBondContact O-CG1 3.39Å; I285-I289 PolarHBondContact O-N 3.03Å
286Q87.4Confident85.7Confident37 Ų3747.5 Ų47.517%0.17326%0.258CS..Hα-helixtrans-59.2-45.1177.9-67.7175.522.200112.4V74 N282 Y284 Y290 F292V74-Q286 HydrophobicContact CG1-CG 3.8Å; V74-Q286 HydrophobicContact CG2-CG 4.09Å; N282-Q286 WeakPolarHBondContact O-CB 3.35Å; N282-Q286 VanDerWaalsContact O-CG 3.23Å; N282-Q286 WeakPolarHBondContact O-CG 3.12Å; N282-Q286 PolarHBondContact O-N 2.98Å; N282-Q286 PolarHBondContact OD1-NE2 2.93Å; Y284-Q286 VanDerWaalsContact C-N 3.32Å; Q286-Y290 WeakPolarHBondContact O-CB 3.48Å; Q286-Y290 PolarHBondContact O-N 3Å; Q286-F292 HydrophobicContact CB-CD2 3.81Å; Q286-F292 HydrophobicContact CB-CE2 4.17Å; Q286-F292 WeakPolarHBondContact O-CD2 3.49Å
287H87.1Confident85.7Confident55 Ų5546.2 Ų46.226%0.25525%0.254SS..Hα-helixtrans-57.2-52.7172.3159.1-81.5000112.3R283 Y284 I285 I289 G291 F292 F294R283-H287 WeakPolarHBondContact O-CB 3.29Å; R283-H287 PolarHBondContact O-N 3.28Å; Y284-H287 PolarHBondContact O-N 3.48Å; I285-H287 PolarHBondContact O-N 2.82Å; H287-I289 VanDerWaalsContact C-N 3.34Å; H287-I289 PolarHBondContact O-N 3.5Å; H287-G291 WeakPolarHBondContact O-CA 3.45Å; H287-G291 PolarHBondContact O-N 2.8Å; H287-F292 WeakPolarHBondContact CB-O 3.38Å; H287-F292 PolarHBondContact CD2-O 3.25Å; H287-F294 HydrophobicContact CB-CB 3.82Å; H287-F294 HydrophobicContact CB-CD2 4.26Å; H287-F294 HydrophobicContact CB-CG 4.32Å; H287-F294 WeakPolarHBondContact CD2-CB 3.17Å
288R84.6Confident85.6Confident44 Ų4445.7 Ų45.717%0.16626%0.255CS..Hα-helixtrans-70.6-27.7-176.6-77.4-71-168.4-165.9-4113.2M113 E161 Y284 I285 A310M113-R288 HydrophobicContact CE-CB 3.32Å; M113-R288 HydrophobicContact CE-CG 4.36Å; E161-R288 IonicContact OE2-CZ 3.26Å; E161-R288 IonicContact OE2-NH1 2.77Å; E161-R288 PolarHBondContact OE2-NH1 3.04Å; Y284-R288 HydrophobicContact CD1-CG 4.12Å; Y284-R288 HydrophobicContact CE1-CG 3.66Å; Y284-R288 HydrophobicContact CE2-CG 4.36Å; Y284-R288 WeakPolarHBondContact O-CB 3.49Å; Y284-R288 PolarHBondContact O-N 3.42Å; Y284-R288 PolarHBondContact OH-NE 3.04Å; Y284-R288 PolarHBondContact OH-NH2 3.38Å; Y284-R288 VanDerWaalsContact OH-NH2 3.16Å; I285-R288 PolarHBondContact O-N 3.36Å; R288-A310 PolarHBondContact NH2-O 3Å
289I84.2Confident85.7Confident21 Ų2149 Ų4911%0.10827%0.267CS..Hα-helixtrans-87.4-41.7-179.4-68.8-168.9000111.8K36 L85 M113 I285 H287K36-I289 HydrophobicContact CB-CG2 3.8Å; K36-I289 HydrophobicContact CD-CG2 3.29Å; K36-I289 WeakPolarHBondContact CD-O 3.3Å; K36-I289 HydrophobicContact CG-CG2 4.15Å; K36-I289 PolarHBondContact NZ-O 2.87Å; L85-I289 HydrophobicContact CD1-CD1 3.62Å; L85-I289 HydrophobicContact CD1-CG2 4.4Å; L85-I289 HydrophobicContact CD2-CD1 4.03Å; M113-I289 HydrophobicContact CB-CD1 4.09Å; M113-I289 HydrophobicContact CB-CG1 4.34Å; M113-I289 HydrophobicContact CE-CD1 4.23Å; M113-I289 HydrophobicContact CE-CG1 3.43Å; M113-I289 VanDerWaalsContact CE-CG1 3.43Å; M113-I289 HydrophobicContact SD-CD1 3.93Å; M113-I289 HydrophobicContact SD-CG1 3.77Å; I285-I289 HydrophobicContact CG2-CD1 3.58Å; I285-I289 HydrophobicContact CG2-CG1 4.15Å; I285-I289 WeakPolarHBondContact O-CB 3.43Å; I285-I289 VanDerWaalsContact O-CG1 3.27Å; I285-I289 WeakPolarHBondContact O-CG1 3.39Å; I285-I289 PolarHBondContact O-N 3.03Å; H287-I289 VanDerWaalsContact C-N 3.34Å; H287-I289 PolarHBondContact O-N 3.5Å
290Y81.8Confident85.5Confident29 Ų2947.6 Ų47.611%0.11426%0.259CS..Hα-helixtrans-114.2-9.5-172.5-63-83.4000115.2L32 K36 V74 A83 Q286 F292L32-Y290 HydrophobicContact CB-CD1 3.89Å; L32-Y290 HydrophobicContact CB-CE1 3.87Å; L32-Y290 HydrophobicContact CD2-CD1 3.78Å; L32-Y290 HydrophobicContact CD2-CG 4.23Å; L32-Y290 HydrophobicContact CG-CD1 4.27Å; K36-Y290 HydrophobicContact CD-CD1 4.06Å; K36-Y290 HydrophobicContact CD-CE1 3.75Å; V74-Y290 HydrophobicContact CB-CE2 4.2Å; V74-Y290 HydrophobicContact CG1-CD2 4.16Å; V74-Y290 HydrophobicContact CG1-CE2 4.02Å; V74-Y290 HydrophobicContact CG2-CE2 4.12Å; A83-Y290 HydrophobicContact CB-CE1 4.07Å; Q286-Y290 WeakPolarHBondContact O-CB 3.48Å; Q286-Y290 PolarHBondContact O-N 3Å; Y290-F292 VanDerWaalsContact CB-CE2 3.43Å; Y290-F292 AromaticContact CD2-CE2 3.94Å; Y290-F292 HydrophobicContact CD2-CE2 3.94Å; Y290-F292 AromaticContact CG-CE2 3.87Å; Y290-F292 HydrophobicContact CG-CE2 3.87Å; Y290-F292 HydrophobicContact CG-CZ 4.39Å
291G78.6Confident85.2Confident64 Ų6452.7 Ų52.766%0.6629%0.291SS*.  trans79.919.5-179.900000114.7H287H287-G291 WeakPolarHBondContact O-CA 3.45Å; H287-G291 PolarHBondContact O-N 2.8Å
292F80.6Confident84.8Confident33 Ų3357 Ų5715%0.14531%0.311CS..  trans-62.7147.2172.7-62.4-61000111.7L32 V74 D76 Q286 H287 Y290L32-F292 HydrophobicContact CD1-CZ 3.92Å; L32-F292 HydrophobicContact CD2-CE1 3.99Å; L32-F292 HydrophobicContact CD2-CZ 3.6Å; L32-F292 HydrophobicContact CG-CZ 4.41Å; V74-F292 HydrophobicContact CG1-CE2 3.83Å; V74-F292 HydrophobicContact CG1-CZ 4.33Å; D76-F292 HydrophobicContact CB-CE1 3.74Å; D76-F292 HydrophobicContact CB-CZ 3.99Å; D76-F292 WeakPolarHBondContact OD2-CE1 3.24Å; Q286-F292 HydrophobicContact CB-CD2 3.81Å; Q286-F292 HydrophobicContact CB-CE2 4.17Å; Q286-F292 WeakPolarHBondContact O-CD2 3.49Å; H287-F292 WeakPolarHBondContact CB-O 3.38Å; H287-F292 PolarHBondContact CD2-O 3.25Å; Y290-F292 VanDerWaalsContact CB-CE2 3.43Å; Y290-F292 AromaticContact CD2-CE2 3.94Å; Y290-F292 HydrophobicContact CD2-CE2 3.94Å; Y290-F292 AromaticContact CG-CE2 3.87Å; Y290-F292 HydrophobicContact CG-CE2 3.87Å; Y290-F292 HydrophobicContact CG-CZ 4.39Å
293P78.3Confident84.3Confident132 Ų13257.8 Ų57.886%0.85733%0.326SS*.  trans-64.4135.6177.727.7-35000111.8
294F80.4Confident84.1Confident35 Ų3552.1 Ų52.115%0.15431%0.306CS..  trans-127.6110.3179.8-175.1-93.8000109.8L280 R283 Y284 H287 Q296 F307L280-F294 HydrophobicContact CD1-CE2 3.78Å; L280-F294 HydrophobicContact CD1-CZ 3.64Å; L280-F294 HydrophobicContact CG-CZ 4.45Å; R283-F294 HydrophobicContact CB-CD2 4.34Å; R283-F294 HydrophobicContact CB-CE2 4.22Å; Y284-F294 HydrophobicContact CD2-CD1 4.2Å; Y284-F294 HydrophobicContact CD2-CD2 4.29Å; Y284-F294 AromaticContact CD2-CE1 3.77Å; Y284-F294 HydrophobicContact CD2-CE1 3.77Å; Y284-F294 AromaticContact CD2-CE2 3.88Å; Y284-F294 HydrophobicContact CD2-CE2 3.88Å; Y284-F294 HydrophobicContact CD2-CG 4.43Å; Y284-F294 AromaticContact CD2-CZ 3.59Å; Y284-F294 HydrophobicContact CD2-CZ 3.59Å; Y284-F294 HydrophobicContact CE2-CE1 4.3Å; Y284-F294 HydrophobicContact CG-CE2 4.35Å; Y284-F294 HydrophobicContact CG-CZ 4.3Å; H287-F294 HydrophobicContact CB-CB 3.82Å; H287-F294 HydrophobicContact CB-CD2 4.26Å; H287-F294 HydrophobicContact CB-CG 4.32Å; H287-F294 WeakPolarHBondContact CD2-CB 3.17Å; F294-Q296 HydrophobicContact CD1-CB 4.38Å; F294-Q296 HydrophobicContact CE1-CB 3.78Å; F294-Q296 WeakPolarHBondContact CE1-O 3.21Å; F294-Q296 HydrophobicContact CE2-CB 4.46Å; F294-Q296 HydrophobicContact CZ-CB 3.83Å; F294-F307 AromaticContact CE1-CE1 3.83Å; F294-F307 HydrophobicContact CE1-CE1 3.83Å; F294-F307 AromaticContact CE1-CZ 3.57Å; F294-F307 HydrophobicContact CE1-CZ 3.57Å; F294-F307 AromaticContact CZ-CE1 3.94Å; F294-F307 HydrophobicContact CZ-CE1 3.94Å; F294-F307 HydrophobicContact CZ-CE2 4.44Å; F294-F307 AromaticContact CZ-CZ 3.63Å; F294-F307 HydrophobicContact CZ-CZ 3.63Å
295S79.3Confident84Confident105 Ų10552.6 Ų52.673%0.73431%0.31SS*.  trans-94.5-1.4-173.150.50000114.5S297S295-S297 PolarHBondContact O-N 2.98Å
296Q82.5Confident84Confident86 Ų8652.5 Ų52.540%0.40231%0.309SS..  trans-84.9111.2-175.8-176.75864.300111.3L280 F294 F307L280-Q296 HydrophobicContact CD1-CB 3.9Å; L280-Q296 HydrophobicContact CD1-CG 3.68Å; L280-Q296 HydrophobicContact CD2-CG 4.2Å; F294-Q296 HydrophobicContact CD1-CB 4.38Å; F294-Q296 HydrophobicContact CE1-CB 3.78Å; F294-Q296 WeakPolarHBondContact CE1-O 3.21Å; F294-Q296 HydrophobicContact CE2-CB 4.46Å; F294-Q296 HydrophobicContact CZ-CB 3.83Å; Q296-F307 HydrophobicContact CG-CD1 4.24Å; Q296-F307 HydrophobicContact CG-CE1 4.11Å
297S86.3Confident84.3Confident19 Ų1950.7 Ų50.713%0.13330%0.301CS..  trans-66.4165170.3-29.50000111.3P168 S295P168-S297 PolarHBondContact O-OG 2.82Å; S295-S297 PolarHBondContact O-N 2.98Å
298A88.5Confident84.6Confident22 Ų2248.4 Ų48.418%0.18229%0.29CS..  trans-60.8143.9179.900000112.1W312A298-W312 HydrophobicContact CB-CD2 3.66Å; A298-W312 HydrophobicContact CB-CE3 4.36Å; A298-W312 HydrophobicContact CB-CG 3.76Å; A298-W312 HydrophobicContact CB-CZ2 4.2Å
299Y89.5Confident84.9Confident74 Ų7446.4 Ų46.429%0.2928%0.283SS..BIsolated β-bridgetrans-125.1115.7-178.7-175.3-84.3000110.8V301 E302 C305 V306 F307Y299-V301 HydrophobicContact CE1-CB 4.27Å; Y299-V301 HydrophobicContact CE2-CB 4.21Å; Y299-V301 HydrophobicContact CE2-CG2 4.32Å; Y299-E302 HydrophobicContact CE1-CB 3.98Å; Y299-E302 HydrophobicContact CE1-CG 4.46Å; Y299-E302 WeakPolarHBondContact OH-CG 3.4Å; Y299-C305 HydrophobicContact CD1-CB 3.99Å; Y299-C305 WeakPolarHBondContact CD1-O 3.27Å; Y299-C305 HydrophobicContact CE1-CB 3.63Å; Y299-V306 CarbonylContact O-C 3.46Å; Y299-V306 WeakPolarHBondContact O-CA 3.33Å; Y299-F307 PolarHBondContact N-O 2.83Å; Y299-F307 PolarHBondContact O-N 2.77Å
300I86.3Confident85Confident53 Ų5345.9 Ų45.927%0.27228%0.282SS..  trans-128.20.4-171.5-71.4163.7000111.9R257 I308 W312R257-I300 VanDerWaalsContact NH2-CG2 3.32Å; I300-I308 HydrophobicContact CD1-CG1 4.31Å; I300-I308 HydrophobicContact CG1-CG1 4.28Å; I300-W312 HydrophobicContact CD1-CE3 4.02Å; I300-W312 HydrophobicContact CD1-CH2 3.29Å; I300-W312 HydrophobicContact CD1-CZ2 4.08Å; I300-W312 HydrophobicContact CD1-CZ3 3.24Å
301V83.2Confident85.1Confident127 Ų12745.5 Ų45.577%0.7729%0.286SS*.SBendtrans-72.3-43-170.3-1750000113.1Y299Y299-V301 HydrophobicContact CE1-CB 4.27Å; Y299-V301 HydrophobicContact CE2-CB 4.21Å; Y299-V301 HydrophobicContact CE2-CG2 4.32Å
302E83.1Confident85.4Confident90 Ų9044.6 Ų44.642%0.42126%0.263SS..SBendtrans-103.8128.5175-68.4170.9-167.400111K276 Y299 D304 C305 V306K276-E302 IonicContact NZ-OE2 3.97Å; K276-E302 PolarHBondContact NZ-OE2 3.3Å; Y299-E302 HydrophobicContact CE1-CB 3.98Å; Y299-E302 HydrophobicContact CE1-CG 4.46Å; Y299-E302 WeakPolarHBondContact OH-CG 3.4Å; E302-D304 PolarHBondContact O-N 2.92Å; E302-C305 HydrophobicContact CB-CB 4.06Å; E302-C305 PolarHBondContact O-N 3.22Å; E302-C305 VanDerWaalsContact O-N 3.16Å; E302-C305 PolarHBondContact OE2-SG 3.26Å; E302-V306 PolarHBondContact O-N 3.38Å
303G79.7Confident85.7Confident47 Ų4743.9 Ų43.949%0.48526%0.261SS..THydrogen-bonded Turntrans-64.7-16.1179.600000115.4Y269Y269-G303 WeakPolarHBondContact CD1-O 3.47Å; Y269-G303 WeakPolarHBondContact CE1-O 3.46Å
304D84.2Confident86.1Confident16 Ų1639.5 Ų39.59%0.08623%0.23CC..THydrogen-bonded Turntrans-96.6-8.3176.174-23.8000114.2T232 M235 K236 K276 E302T232-D304 WeakPolarHBondContact CB-O 3.29Å; T232-D304 PolarHBondContact OG1-O 3.33Å; M235-D304 HydrophobicContact SD-CB 4.22Å; K236-D304 WeakPolarHBondContact CE-OD2 3.41Å; K236-D304 IonicContact NZ-OD2 3.17Å; K236-D304 PolarHBondContact NZ-OD2 2.97Å; K276-D304 IonicContact NZ-OD1 2.65Å; K276-D304 PolarHBondContact NZ-OD1 2.95Å; K276-D304 IonicContact NZ-OD2 2.98Å; K276-D304 PolarHBondContact NZ-OD2 3.19Å; E302-D304 PolarHBondContact O-N 2.92Å
305C87.7Confident86.2Confident13 Ų1339.9 Ų39.99%0.08823%0.232CC..SBendtrans-118.210.2-176.2-69.80000114.6K276 N277 Y299 E302 F307K276-C305 VanDerWaalsContact CD-SG 3.55Å; K276-C305 VanDerWaalsContact CE-SG 3.57Å; K276-C305 PolarHBondContact NZ-SG 3.22Å; N277-C305 VanDerWaalsContact ND2-C 3.27Å; N277-C305 PolarHBondContact ND2-O 2.89Å; Y299-C305 HydrophobicContact CD1-CB 3.99Å; Y299-C305 WeakPolarHBondContact CD1-O 3.27Å; Y299-C305 HydrophobicContact CE1-CB 3.63Å; E302-C305 HydrophobicContact CB-CB 4.06Å; E302-C305 PolarHBondContact O-N 3.22Å; E302-C305 VanDerWaalsContact O-N 3.16Å; E302-C305 PolarHBondContact OE2-SG 3.26Å; C305-F307 PolarHBondContact O-N 2.71Å
306V91.7Very high86.4Confident0 Ų041.5 Ų41.50%023%0.226CC..  trans-52.4126.3-172.6-171.50000112.8F268 Y269 Y299 E302 I308F268-V306 CarbonylContact C-O 3.56Å; Y269-V306 WeakPolarHBondContact CB-O 3.26Å; Y269-V306 HydrophobicContact CD1-CB 3.96Å; Y269-V306 HydrophobicContact CD1-CG2 3.7Å; Y269-V306 HydrophobicContact CD2-CB 3.8Å; Y269-V306 HydrophobicContact CD2-CG1 4.43Å; Y269-V306 HydrophobicContact CD2-CG2 4.37Å; Y269-V306 HydrophobicContact CE1-CB 4.42Å; Y269-V306 HydrophobicContact CE1-CG2 3.95Å; Y269-V306 HydrophobicContact CE2-CB 4.3Å; Y269-V306 HydrophobicContact CG-CB 3.64Å; Y269-V306 HydrophobicContact CG-CG2 3.94Å; Y269-V306 PolarHBondContact N-O 2.85Å; Y299-V306 CarbonylContact O-C 3.46Å; Y299-V306 WeakPolarHBondContact O-CA 3.33Å; E302-V306 PolarHBondContact O-N 3.38Å; V306-I308 HydrophobicContact CG1-CD1 4.22Å; V306-I308 HydrophobicContact CG1-CG1 4.06Å
307F93.6Very high86.5Confident0 Ų041.3 Ų41.30%022%0.224CC..EExtended strand (participates in β ladder)trans-132128.6170.9162.5-119000110.3L267 F268 L280 Y284 F294 Q296 Y299 C305 P309L267-F307 WeakPolarHBondContact O-CA 3.4Å; F268-F307 AromaticContact CD1-CD2 3.86Å; F268-F307 HydrophobicContact CD1-CD2 3.86Å; F268-F307 HydrophobicContact CD2-CD2 4.33Å; F268-F307 AromaticContact CE1-CD2 3.39Å; F268-F307 HydrophobicContact CE1-CD2 3.39Å; F268-F307 AromaticContact CE1-CE2 3.69Å; F268-F307 HydrophobicContact CE1-CE2 3.69Å; F268-F307 HydrophobicContact CE1-CG 4.3Å; F268-F307 AromaticContact CE2-CD2 3.91Å; F268-F307 HydrophobicContact CE2-CD2 3.91Å; F268-F307 AromaticContact CE2-CE2 3.79Å; F268-F307 HydrophobicContact CE2-CE2 3.79Å; F268-F307 HydrophobicContact CG-CD2 4.3Å; F268-F307 AromaticContact CZ-CD2 3.4Å; F268-F307 HydrophobicContact CZ-CD2 3.4Å; F268-F307 VanDerWaalsContact CZ-CD2 3.4Å; F268-F307 AromaticContact CZ-CE2 3.23Å; F268-F307 HydrophobicContact CZ-CE2 3.23Å; F268-F307 HydrophobicContact CZ-CZ 4.34Å; L280-F307 HydrophobicContact CD2-CB 3.99Å; L280-F307 HydrophobicContact CD2-CD1 3.86Å; L280-F307 HydrophobicContact CD2-CD2 4.44Å; L280-F307 HydrophobicContact CD2-CG 3.81Å; Y284-F307 HydrophobicContact CD2-CE2 4.27Å; Y284-F307 HydrophobicContact CD2-CZ 4.19Å; Y284-F307 HydrophobicContact CE2-CE2 4.4Å; Y284-F307 HydrophobicContact CE2-CZ 4.29Å; F294-F307 AromaticContact CE1-CE1 3.83Å; F294-F307 HydrophobicContact CE1-CE1 3.83Å; F294-F307 AromaticContact CE1-CZ 3.57Å; F294-F307 HydrophobicContact CE1-CZ 3.57Å; F294-F307 AromaticContact CZ-CE1 3.94Å; F294-F307 HydrophobicContact CZ-CE1 3.94Å; F294-F307 HydrophobicContact CZ-CE2 4.44Å; F294-F307 AromaticContact CZ-CZ 3.63Å; F294-F307 HydrophobicContact CZ-CZ 3.63Å; Q296-F307 HydrophobicContact CG-CD1 4.24Å; Q296-F307 HydrophobicContact CG-CE1 4.11Å; Y299-F307 PolarHBondContact N-O 2.83Å; Y299-F307 PolarHBondContact O-N 2.77Å; C305-F307 PolarHBondContact O-N 2.71Å; F307-P309 HydrophobicContact CE1-CG 4.29Å; F307-P309 HydrophobicContact CE2-CB 4.18Å; F307-P309 HydrophobicContact CZ-CB 3.78Å; F307-P309 HydrophobicContact CZ-CG 3.87Å
308I92.2Very high86.5Confident7 Ų740.4 Ų40.44%0.03622%0.218CC..EExtended strand (participates in β ladder)trans-136.2112.6177.4-44175.1000108.9R257 A266 L267 I300 V306 W312 D313R257-I308 HydrophobicContact CG-CD1 3.78Å; R257-I308 VanDerWaalsContact NH1-CD1 3.3Å; A266-I308 CarbonylContact C-O 3.47Å; A266-I308 WeakPolarHBondContact CA-O 3.32Å; L267-I308 HydrophobicContact CB-CB 4.22Å; L267-I308 HydrophobicContact CB-CD1 4.31Å; L267-I308 HydrophobicContact CB-CG1 4.4Å; L267-I308 HydrophobicContact CD2-CD1 4.01Å; L267-I308 PolarHBondContact N-O 2.92Å; L267-I308 PolarHBondContact O-N 3.35Å; I300-I308 HydrophobicContact CD1-CG1 4.31Å; I300-I308 HydrophobicContact CG1-CG1 4.28Å; V306-I308 HydrophobicContact CG1-CD1 4.22Å; V306-I308 HydrophobicContact CG1-CG1 4.06Å; I308-W312 HydrophobicContact CG2-CB 4.22Å; I308-W312 HydrophobicContact CG2-CD2 4.46Å; I308-W312 HydrophobicContact CG2-CE3 3.87Å; I308-D313 HydrophobicContact CG2-CB 4.06Å
309P90.7Very high86.3Confident2 Ų242.5 Ų42.51%0.01323%0.226CC..  trans-72.4144.5172.426.7-27.2000110.8Y165 Y284 F307 G311 W312Y165-P309 HydrophobicContact CD2-CB 4.41Å; Y165-P309 HydrophobicContact CD2-CG 4.46Å; Y165-P309 HydrophobicContact CE2-CB 3.83Å; Y165-P309 HydrophobicContact CE2-CG 3.55Å; Y165-P309 WeakPolarHBondContact OH-CG 3.49Å; Y284-P309 HydrophobicContact CE2-CB 3.83Å; F307-P309 HydrophobicContact CE1-CG 4.29Å; F307-P309 HydrophobicContact CE2-CB 4.18Å; F307-P309 HydrophobicContact CZ-CB 3.78Å; F307-P309 HydrophobicContact CZ-CG 3.87Å; P309-G311 PolarHBondContact O-N 2.87Å; P309-W312 HydrophobicContact CG-CB 3.99Å; P309-W312 WeakPolarHBondContact O-CB 3.4Å; P309-W312 PolarHBondContact O-N 2.82Å; P309-W312 VanDerWaalsContact O-N 3.08Å
310A86.7Confident86Confident9 Ų942.6 Ų42.67%0.07423%0.234CC..THydrogen-bonded Turntrans-59.2129.6172.700000110.5F162 G264 A266 Y284 R288F162-A310 HydrophobicContact CD2-CB 4.2Å; G264-A310 VanDerWaalsContact O-CB 3.23Å; G264-A310 WeakPolarHBondContact O-CB 3.32Å; A266-A310 HydrophobicContact CB-CB 4.33Å; Y284-A310 PolarHBondContact OH-N 2.88Å; R288-A310 PolarHBondContact NH2-O 3Å
311G83.2Confident85.6Confident21 Ų2141.2 Ų41.222%0.21623%0.227CC..THydrogen-bonded Turntrans105.5-21-170.800000114.1F162 P309F162-G311 VanDerWaalsContact O-CA 3.31Å; F162-G311 WeakPolarHBondContact O-CA 3.47Å; P309-G311 PolarHBondContact O-N 2.87Å
312W86.6Confident85.1Confident46 Ų4635.8 Ų35.817%0.17420%0.197CC..SBendtrans-82.9-35-178-171.899.4000114.3Y165 E167 A298 I300 I308 P309 K317Y165-W312 HydrophobicContact CD1-CB 4.35Å; Y165-W312 HydrophobicContact CE1-CB 3.94Å; Y165-W312 AromaticContact CE1-CD1 3.74Å; Y165-W312 HydrophobicContact CE1-CG 4.26Å; E167-W312 VanDerWaalsContact OE1-CD1 3.29Å; E167-W312 PolarHBondContact OE1-NE1 2.93Å; A298-W312 HydrophobicContact CB-CD2 3.66Å; A298-W312 HydrophobicContact CB-CE3 4.36Å; A298-W312 HydrophobicContact CB-CG 3.76Å; A298-W312 HydrophobicContact CB-CZ2 4.2Å; I300-W312 HydrophobicContact CD1-CE3 4.02Å; I300-W312 HydrophobicContact CD1-CH2 3.29Å; I300-W312 HydrophobicContact CD1-CZ2 4.08Å; I300-W312 HydrophobicContact CD1-CZ3 3.24Å; I308-W312 HydrophobicContact CG2-CB 4.22Å; I308-W312 HydrophobicContact CG2-CD2 4.46Å; I308-W312 HydrophobicContact CG2-CE3 3.87Å; P309-W312 HydrophobicContact CG-CB 3.99Å; P309-W312 WeakPolarHBondContact O-CB 3.4Å; P309-W312 PolarHBondContact O-N 2.82Å; P309-W312 VanDerWaalsContact O-N 3.08Å; W312-K317 VanDerWaalsContact CD2-NZ 3.28Å; W312-K317 HydrophobicContact CE3-CD 3.94Å; W312-K317 HydrophobicContact CH2-CD 3.77Å; W312-K317 HydrophobicContact CZ2-CD 4.43Å; W312-K317 VanDerWaalsContact CZ2-NZ 3.34Å; W312-K317 HydrophobicContact CZ3-CD 3.5Å; W312-K317 VanDerWaalsContact CZ3-CD 3.5Å; W312-K317 PolarHBondContact O-NZ 3.06Å
313D85.2Confident84.6Confident18 Ų1838.8 Ų38.810%0.09621%0.211CC..  trans-85.7153.3-173.4-140.4-16000113.2R257 I308 K317 I318R257-D313 WeakPolarHBondContact CD-OD2 3.39Å; R257-D313 WeakPolarHBondContact CG-OD2 3.4Å; R257-D313 IonicContact CZ-OD2 3.63Å; R257-D313 IonicContact NE-OD2 3.72Å; R257-D313 IonicContact NH1-OD1 2.69Å; R257-D313 IonicContact NH1-OD2 2.71Å; R257-D313 PolarHBondContact NH1-OD2 3.19Å; I308-D313 HydrophobicContact CG2-CB 4.06Å; D313-K317 WeakPolarHBondContact OD1-CB 3.32Å; D313-I318 WeakPolarHBondContact OD1-CG1 3.43Å
314N86.8Confident84.3Confident40 Ų4041.3 Ų41.321%0.21421%0.213CC..  trans-149.8150.3-174.5175.2-80.3000109.8E213 K316 K317 I318E213-N314 PolarHBondContact OE1-ND2 3.41Å; E213-N314 PolarHBondContact OE2-ND2 2.91Å; N314-K316 PolarHBondContact O-N 3.19Å; N314-K316 VanDerWaalsContact OD1-CB 3.26Å; N314-K316 WeakPolarHBondContact OD1-CB 3.02Å; N314-K316 WeakPolarHBondContact OD1-CD 3.47Å; N314-K316 WeakPolarHBondContact OD1-CG 3.23Å; N314-K316 PolarHBondContact OD1-N 3.25Å; N314-K317 HydrophobicContact CB-CD 4.39Å; N314-K317 HydrophobicContact CB-CG 4.3Å; N314-K317 WeakPolarHBondContact O-CB 3.35Å; N314-K317 PolarHBondContact O-N 2.98Å; N314-I318 WeakPolarHBondContact O-CG1 3.49Å; N314-I318 PolarHBondContact O-N 3.28Å
315H83.8Confident83.7Confident42 Ų4241.2 Ų41.219%0.19421%0.212CC..Hα-helixtrans-51.5-35.2-179.1-72.2-75.6000113.8E213 D214 L261 N319E213-H315 IonicContact OE2-CD2 2.63Å; D214-H315 PolarHBondContact O-NE2 2.89Å; L261-H315 WeakPolarHBondContact CD2-NE2 3.35Å; H315-N319 WeakPolarHBondContact O-CB 3.45Å; H315-N319 PolarHBondContact O-N 3.3Å; H315-N319 PolarHBondContact O-ND2 3.03Å
316K83.6Confident82.7Confident140 Ų14046.1 Ų46.161%0.60924%0.242SC*.Hα-helixtrans-65.6-48.7175.3-61.1156.4-175137.80111.5E213 N314 I318 N319 V320E213-K316 IonicContact OE1-NZ 2.63Å; E213-K316 PolarHBondContact OE1-NZ 2.87Å; N314-K316 PolarHBondContact O-N 3.19Å; N314-K316 VanDerWaalsContact OD1-CB 3.26Å; N314-K316 WeakPolarHBondContact OD1-CB 3.02Å; N314-K316 WeakPolarHBondContact OD1-CD 3.47Å; N314-K316 WeakPolarHBondContact OD1-CG 3.23Å; N314-K316 PolarHBondContact OD1-N 3.25Å; K316-I318 VanDerWaalsContact C-N 3.32Å; K316-I318 PolarHBondContact O-N 2.85Å; K316-N319 PolarHBondContact O-N 2.81Å; K316-V320 WeakPolarHBondContact O-CG2 3.47Å; K316-V320 PolarHBondContact O-N 3.1Å; K316-V320 VanDerWaalsContact O-N 3.16Å
317K84.5Confident81.3Confident82 Ų8253.5 Ų53.536%0.35727%0.274SS..Hα-helixtrans-61-39.7177.6-66.7-177.2173.2-173.70111.9W312 D313 N314W312-K317 VanDerWaalsContact CD2-NZ 3.28Å; W312-K317 HydrophobicContact CE3-CD 3.94Å; W312-K317 HydrophobicContact CH2-CD 3.77Å; W312-K317 HydrophobicContact CZ2-CD 4.43Å; W312-K317 VanDerWaalsContact CZ2-NZ 3.34Å; W312-K317 HydrophobicContact CZ3-CD 3.5Å; W312-K317 VanDerWaalsContact CZ3-CD 3.5Å; W312-K317 PolarHBondContact O-NZ 3.06Å; D313-K317 WeakPolarHBondContact OD1-CB 3.32Å; N314-K317 HydrophobicContact CB-CD 4.39Å; N314-K317 HydrophobicContact CB-CG 4.3Å; N314-K317 WeakPolarHBondContact O-CB 3.35Å; N314-K317 PolarHBondContact O-N 2.98Å
318I85.4Confident80Confident0 Ų054.4 Ų54.40%028%0.279CS..Hα-helixtrans-67.3-42.9176.1-62.5175.1000111.3M254 R257 R258 L261 D313 N314 K316 V320 L321M254-I318 HydrophobicContact CG-CG2 3.74Å; R257-I318 HydrophobicContact CB-CD1 3.84Å; R257-I318 HydrophobicContact CB-CG1 3.89Å; R257-I318 HydrophobicContact CB-CG2 4.43Å; R258-I318 HydrophobicContact CG-CD1 4.45Å; R258-I318 HydrophobicContact CG-CG2 3.74Å; L261-I318 HydrophobicContact CB-CD1 4.17Å; L261-I318 HydrophobicContact CD2-CD1 3.62Å; D313-I318 WeakPolarHBondContact OD1-CG1 3.43Å; N314-I318 WeakPolarHBondContact O-CG1 3.49Å; N314-I318 PolarHBondContact O-N 3.28Å; K316-I318 VanDerWaalsContact C-N 3.32Å; K316-I318 PolarHBondContact O-N 2.85Å; I318-V320 VanDerWaalsContact C-N 3.33Å; I318-V320 PolarHBondContact O-N 2.81Å; I318-L321 WeakPolarHBondContact O-CB 3.27Å; I318-L321 PolarHBondContact O-N 2.81Å
319N84.1Confident78.6Confident65 Ų6559.3 Ų59.335%0.34831%0.305SS..Hα-helixtrans-69.8-27.1-177.2-73.4-16.2000113.2R258 H315 K316 L321 G322 E323R258-N319 PolarHBondContact NH2-OD1 3.27Å; H315-N319 WeakPolarHBondContact O-CB 3.45Å; H315-N319 PolarHBondContact O-N 3.3Å; H315-N319 PolarHBondContact O-ND2 3.03Å; K316-N319 PolarHBondContact O-N 2.81Å; N319-L321 PolarHBondContact O-N 2.81Å; N319-G322 CarbonylContact O-C 3.48Å; N319-G322 VanDerWaalsContact O-CA 3.31Å; N319-G322 WeakPolarHBondContact O-CA 3.26Å; N319-G322 PolarHBondContact O-N 3.27Å; N319-E323 PolarHBondContact O-N 3.43Å
320V83.7Confident77.3Confident76 Ų7660.1 Ų60.146%0.46131%0.312SS..Hα-helixtrans-58.3-34.8171170.50000112K316 I318 G322 E323 N324K316-V320 WeakPolarHBondContact O-CG2 3.47Å; K316-V320 PolarHBondContact O-N 3.1Å; K316-V320 VanDerWaalsContact O-N 3.16Å; I318-V320 VanDerWaalsContact C-N 3.33Å; I318-V320 PolarHBondContact O-N 2.81Å; V320-G322 VanDerWaalsContact C-N 3.33Å; V320-E323 PolarHBondContact O-N 3.15Å; V320-N324 PolarHBondContact O-N 3.31Å; V320-N324 PolarHBondContact O-ND2 3.42Å
321L78.4Confident76.1Confident24 Ų2467.1 Ų67.113%0.12634%0.343CS..Hα-helixtrans-66.2-38171.7-61.4170.9000111.6R257 I318 N319 E323 N324R257-L321 VanDerWaalsContact NE-CD1 3.3Å; I318-L321 WeakPolarHBondContact O-CB 3.27Å; I318-L321 PolarHBondContact O-N 2.81Å; N319-L321 PolarHBondContact O-N 2.81Å; L321-E323 VanDerWaalsContact C-N 3.32Å; L321-N324 PolarHBondContact O-N 2.96Å
322G71.7Confident75.2Confident13 Ų1370.1 Ų70.113%0.13435%0.352CS..Hα-helixtrans-66.7-29.7174.700000113.9N319 V320 L325N319-G322 CarbonylContact O-C 3.48Å; N319-G322 VanDerWaalsContact O-CA 3.31Å; N319-G322 WeakPolarHBondContact O-CA 3.26Å; N319-G322 PolarHBondContact O-N 3.27Å; V320-G322 VanDerWaalsContact C-N 3.33Å; G322-L325 PolarHBondContact O-N 3.46Å
323E74Confident74.1Confident154 Ų15471.7 Ų71.772%0.7237%0.367SS*.Hα-helixtrans-72.8-28.2174.8-72172.3-170.200112.5N319 V320 L321 L325N319-E323 PolarHBondContact O-N 3.43Å; V320-E323 PolarHBondContact O-N 3.15Å; L321-E323 VanDerWaalsContact C-N 3.32Å; E323-L325 VanDerWaalsContact C-N 3.26Å; E323-L325 PolarHBondContact O-N 2.87Å
324N72.9Confident73.3Confident99 Ų9971.9 Ų71.953%0.52937%0.367SS..THydrogen-bonded Turntrans-73.4-12.5174-68-28.8000113.8V320 L321 T326V320-N324 PolarHBondContact O-N 3.31Å; V320-N324 PolarHBondContact O-ND2 3.42Å; L321-N324 PolarHBondContact O-N 2.96Å; N324-T326 PolarHBondContact O-N 3.13Å
325L71.9Confident72.2Confident14 Ų1473.6 Ų73.67%0.07338%0.383CS..  trans-77.380.7-176.5-61.7-179.5000112.5E247 D250 F251 M254 G322 E323 K327 I328 A330E247-L325 HydrophobicContact CB-CD2 4.07Å; E247-L325 HydrophobicContact CG-CD2 4.47Å; E247-L325 VanDerWaalsContact O-CD2 3.29Å; E247-L325 WeakPolarHBondContact O-CD2 3.31Å; D250-L325 HydrophobicContact CB-CD2 3.87Å; F251-L325 HydrophobicContact CB-CD1 4.11Å; F251-L325 HydrophobicContact CB-CD2 4.39Å; F251-L325 HydrophobicContact CD2-CD1 3.82Å; F251-L325 HydrophobicContact CG-CD1 4.47Å; M254-L325 HydrophobicContact CE-CD1 4.47Å; G322-L325 PolarHBondContact O-N 3.46Å; E323-L325 VanDerWaalsContact C-N 3.26Å; E323-L325 PolarHBondContact O-N 2.87Å; L325-K327 VanDerWaalsContact C-N 3.29Å; L325-K327 PolarHBondContact O-N 2.78Å; L325-I328 HydrophobicContact CB-CB 4.39Å; L325-I328 WeakPolarHBondContact CB-O 3.49Å; L325-A330 HydrophobicContact CD1-CB 4.16Å
326T65.9Low71.2Confident116 Ų11675.9 Ų75.971%0.71240%0.4SS*.THydrogen-bonded Turntrans-62.5-28.9-176.365.10000115E247 N324E247-T326 PolarHBondContact OE2-N 3.18Å; E247-T326 PolarHBondContact OE2-OG1 3.02Å; N324-T326 PolarHBondContact O-N 3.13Å
327K62.4Low70.4Confident156 Ų15670.3 Ų70.368%0.67838%0.378SS*.THydrogen-bonded Turntrans-109.4-8-175.4-60.2175.5-160.167.20114.3E247 L325E247-K327 VanDerWaalsContact CD-NZ 3.32Å; E247-K327 WeakPolarHBondContact OE1-CD 3.38Å; E247-K327 IonicContact OE1-NZ 3.35Å; E247-K327 PolarHBondContact OE1-NZ 3.25Å; E247-K327 WeakPolarHBondContact OE2-CB 3.39Å; E247-K327 WeakPolarHBondContact OE2-CG 3.45Å; E247-K327 PolarHBondContact OE2-N 2.81Å; E247-K327 IonicContact OE2-NZ 2.64Å; E247-K327 PolarHBondContact OE2-NZ 3.05Å; L325-K327 VanDerWaalsContact C-N 3.29Å; L325-K327 PolarHBondContact O-N 2.78Å
328I65.8Low69.8Low19 Ų1966.4 Ų66.410%0.09736%0.361CS..SBendtrans-134.8113.7-165.9-56.4174.4000109.5E247 H248 F251 L325 A330 V337E247-I328 HydrophobicContact CB-CD1 4Å; H248-I328 WeakPolarHBondContact ND1-CD1 3.35Å; F251-I328 HydrophobicContact CD2-CG2 3.87Å; F251-I328 HydrophobicContact CE2-CG2 4.16Å; F251-I328 HydrophobicContact CG-CG2 4.27Å; L325-I328 HydrophobicContact CB-CB 4.39Å; L325-I328 WeakPolarHBondContact CB-O 3.49Å; I328-A330 PolarHBondContact O-N 2.82Å; I328-A330 VanDerWaalsContact O-N 3.17Å; I328-V337 HydrophobicContact CD1-CG1 3.97Å; I328-V337 HydrophobicContact CG1-CG1 4.49Å; I328-V337 HydrophobicContact CG2-CB 4.38Å; I328-V337 HydrophobicContact CG2-CG1 3.69Å; I328-V337 HydrophobicContact CG2-CG2 3.71Å
329N63.8Low68.9Low110 Ų11070.4 Ų70.459%0.58839%0.387SS*.  trans-65.1120.4175-59.8-51.6000110.5Q331 H332N329-Q331 PolarHBondContact O-N 3.17Å; N329-H332 PolarHBondContact ND2-NE2 2.96Å; N329-H332 PolarHBondContact O-N 3.23Å
330A62.2Low68.2Low19 Ų1973.8 Ų73.816%0.15739%0.394CS..THydrogen-bonded Turntrans-59.92.6-179.800000116.4M254 R258 L325 I328M254-A330 HydrophobicContact CE-CB 3.99Å; M254-A330 HydrophobicContact SD-CB 3.85Å; R258-A330 PolarHBondContact NH1-O 3.26Å; L325-A330 HydrophobicContact CD1-CB 4.16Å; I328-A330 PolarHBondContact O-N 2.82Å; I328-A330 VanDerWaalsContact O-N 3.17Å
331Q62.4Low67.5Low156 Ų15673.9 Ų73.973%0.72940%0.397SS*.THydrogen-bonded Turntrans-121.13.1-179.4-51.8-67.230.900113.2N329N329-Q331 PolarHBondContact O-N 3.17Å
332H64.7Low66.7Low84 Ų8478.7 Ų78.739%0.38943%0.427SS..SBendtrans-70.7143.3170-80.4-44.3000110.7N329 F334 V337N329-H332 PolarHBondContact ND2-NE2 2.96Å; N329-H332 PolarHBondContact O-N 3.23Å; H332-F334 PolarHBondContact O-N 3.2Å; H332-V337 HydrophobicContact CB-CG2 3.98Å
333P63.7Low66.1Low78 Ų7883.5 Ų83.551%0.50646%0.455SS..  trans-62.7138.5175.526.7-33.3000109.9S335 T336P333-S335 PolarHBondContact O-N 3.16Å; P333-S335 VanDerWaalsContact O-N 3.1Å; P333-T336 WeakPolarHBondContact O-CB 3.48Å; P333-T336 PolarHBondContact O-N 3.31Å
334F66.8Low64.9Low22 Ų2286.6 Ų86.610%0.09646%0.461CS..Hα-helixtrans-51.3-40.2-169.8-176.5-107.3000114P123 I127 F251 I252 H332 T336 V337 I338P123-F334 WeakPolarHBondContact O-CE1 3.43Å; P123-F334 WeakPolarHBondContact O-CZ 3.5Å; I127-F334 HydrophobicContact CB-CD1 4.45Å; I127-F334 HydrophobicContact CD1-CB 3.68Å; I127-F334 HydrophobicContact CD1-CD1 3.73Å; I127-F334 HydrophobicContact CD1-CD2 3.45Å; I127-F334 VanDerWaalsContact CD1-CD2 3.45Å; I127-F334 HydrophobicContact CD1-CE1 4.13Å; I127-F334 HydrophobicContact CD1-CE2 3.9Å; I127-F334 HydrophobicContact CD1-CG 3.35Å; I127-F334 HydrophobicContact CD1-CZ 4.21Å; I127-F334 HydrophobicContact CG1-CD1 4.04Å; I127-F334 HydrophobicContact CG1-CD2 4.28Å; I127-F334 HydrophobicContact CG1-CE1 4.03Å; I127-F334 HydrophobicContact CG1-CE2 4.3Å; I127-F334 HydrophobicContact CG1-CG 4.16Å; I127-F334 HydrophobicContact CG1-CZ 4.17Å; F251-F334 HydrophobicContact CD1-CD2 4.15Å; F251-F334 HydrophobicContact CD1-CE2 4.43Å; F251-F334 AromaticContact CE1-CD2 3.6Å; F251-F334 HydrophobicContact CE1-CD2 3.6Å; F251-F334 HydrophobicContact CE1-CE2 4.3Å; F251-F334 HydrophobicContact CE1-CG 4.44Å; F251-F334 HydrophobicContact CZ-CD2 4.5Å; I252-F334 HydrophobicContact CG1-CE2 3.91Å; I252-F334 HydrophobicContact CG1-CZ 4.17Å; H332-F334 PolarHBondContact O-N 3.2Å; F334-T336 PolarHBondContact O-N 3.08Å; F334-T336 VanDerWaalsContact O-N 3.15Å; F334-V337 PolarHBondContact O-N 3.44Å; F334-I338 HydrophobicContact CE2-CD1 3.85Å; F334-I338 HydrophobicContact CZ-CD1 4.01Å; F334-I338 PolarHBondContact O-N 3.42Å
335S65.1Low63.7Low76 Ų7691.2 Ų91.253%0.53148%0.476SS..Hα-helixtrans-59.8-20.217756.70000115.4P333 P339P333-S335 PolarHBondContact O-N 3.16Å; P333-S335 VanDerWaalsContact O-N 3.1Å; S335-P339 WeakPolarHBondContact O-CA 3.45Å
336T63.4Low62.3Low91 Ų9194.1 Ų94.156%0.55850%0.502SS*.Hα-helixtrans-86.9-35.7178.5-620000111.8P333 F334P333-T336 WeakPolarHBondContact O-CB 3.48Å; P333-T336 PolarHBondContact O-N 3.31Å; F334-T336 PolarHBondContact O-N 3.08Å; F334-T336 VanDerWaalsContact O-N 3.15Å
337V65Low61.4Low23 Ų2395.1 Ų95.114%0.13950%0.501CS..Hα-helixtrans-81.1-36.1178.2179.70000110.9F251 I328 H332 F334 P339F251-V337 HydrophobicContact CD1-CB 4Å; F251-V337 HydrophobicContact CD1-CG1 3.69Å; F251-V337 HydrophobicContact CD1-CG2 4.42Å; F251-V337 HydrophobicContact CE1-CB 3.5Å; F251-V337 HydrophobicContact CE1-CG1 3.75Å; F251-V337 HydrophobicContact CE1-CG2 3.74Å; F251-V337 HydrophobicContact CE2-CG2 4.09Å; F251-V337 HydrophobicContact CG-CG1 4.2Å; F251-V337 HydrophobicContact CZ-CB 3.9Å; F251-V337 HydrophobicContact CZ-CG1 4.33Å; F251-V337 HydrophobicContact CZ-CG2 3.55Å; I328-V337 HydrophobicContact CD1-CG1 3.97Å; I328-V337 HydrophobicContact CG1-CG1 4.49Å; I328-V337 HydrophobicContact CG2-CB 4.38Å; I328-V337 HydrophobicContact CG2-CG1 3.69Å; I328-V337 HydrophobicContact CG2-CG2 3.71Å; H332-V337 HydrophobicContact CB-CG2 3.98Å; F334-V337 PolarHBondContact O-N 3.44Å; V337-P339 WeakPolarHBondContact O-CD 3.43Å
338I71.9Confident60.5Low0 Ų095.6 Ų95.60%051%0.506CS..SBendtrans-122.777.7179.7-51.6-170.1000108.1P123 W124 Y244 F251 I252 F334P123-I338 HydrophobicContact CB-CD1 4.49Å; P123-I338 HydrophobicContact CB-CG2 4.13Å; P123-I338 HydrophobicContact CG-CG2 4.01Å; W124-I338 HydrophobicContact CB-CG2 4.11Å; Y244-I338 HydrophobicContact CE1-CG2 4.39Å; F251-I338 HydrophobicContact CD1-CD1 4.5Å; I252-I338 HydrophobicContact CD1-CD1 3.6Å; I252-I338 HydrophobicContact CG1-CD1 3.34Å; F334-I338 HydrophobicContact CE2-CD1 3.85Å; F334-I338 HydrophobicContact CZ-CD1 4.01Å; F334-I338 PolarHBondContact O-N 3.42Å
339P67.6Low59.6Low84 Ų84105.5 Ų105.555%0.54554%0.542SS..  trans-62.7139.8177.627-34.7000110S335 V337S335-P339 WeakPolarHBondContact O-CA 3.45Å; V337-P339 WeakPolarHBondContact O-CD 3.43Å
340R70.2Confident58.9Low136 Ų136108 Ų10851%0.51355%0.55SS.*  trans-58133.7169.5-52.1-168.5-173-154.610.9108.5W124 E128 V342W124-R340 HydrophobicContact CB-CG 4.04Å; W124-R340 HydrophobicContact CG-CB 4.17Å; W124-R340 HydrophobicContact CG-CG 3.98Å; E128-R340 IonicContact OE1-CZ 2.68Å; E128-R340 IonicContact OE1-NE 3.65Å; E128-R340 IonicContact OE1-NH2 3.41Å; E128-R340 PolarHBondContact OE1-NH2 3.17Å; E128-R340 IonicContact OE2-CZ 3.35Å; E128-R340 IonicContact OE2-NH1 2.86Å; E128-R340 IonicContact OE2-NH2 3.32Å; E128-R340 PolarHBondContact OE2-NH2 3.31Å; R340-V342 PolarHBondContact O-N 3.44Å
341P67.4Low58.4Low78 Ų78112.4 Ų112.451%0.50658%0.577SS.*  trans-61.7113.1174.525.9-33.2000108.2W124 P343W124-P341 HydrophobicContact CD2-CG 4.29Å; W124-P341 VanDerWaalsContact CE2-CD 3.44Å; W124-P341 VanDerWaalsContact CE3-CD 3.42Å; W124-P341 HydrophobicContact CE3-CG 4.18Å; W124-P341 HydrophobicContact CH2-CG 3.55Å; W124-P341 HydrophobicContact CZ2-CG 3.62Å; W124-P341 HydrophobicContact CZ3-CG 3.81Å; P341-P343 WeakPolarHBondContact O-CD 3.49Å; P341-P343 VanDerWaalsContact O-N 3.13Å
342V62.3Low58.1Low125 Ų125113.6 Ų113.676%0.75858%0.583SS**  trans-57.8121.5176.4179.70000107.1R340 R344R340-V342 PolarHBondContact O-N 3.44Å; V342-R344 PolarHBondContact O-N 3.12Å
343P58.9Low58.1Low113 Ų113117 Ų11773%0.73460%0.602SS**  trans-62110.4-179.324.3-32.8000107.9P341 K345P341-P343 WeakPolarHBondContact O-CD 3.49Å; P341-P343 VanDerWaalsContact O-N 3.13Å; P343-K345 PolarHBondContact O-N 3.22Å
344R48.9Very low58.1Low220 Ų220121.1 Ų121.183%0.8362%0.616SS**  trans-58.7106.8174.9-60.6-178.3-166.7160.15.5106.4V342 A346V342-R344 PolarHBondContact O-N 3.12Å; R344-A346 PolarHBondContact O-N 2.81Å
345K47.6Very low57.8Low196 Ų196126.7 Ų126.785%0.85265%0.653SS**  trans-45.2120.8170.5-71.1-178.3177.5-179.70106.7P343 I347P343-K345 PolarHBondContact O-N 3.22Å; K345-I347 WeakPolarHBondContact O-CG1 3.29Å; K345-I347 PolarHBondContact O-N 3.25Å
346A42.3Very low58.1Low75 Ų75127.8 Ų127.862%0.6265%0.652SS**  trans-47.1102.8-161.800000111.6R344 H348 R349R344-A346 PolarHBondContact O-N 2.81Å; A346-H348 VanDerWaalsContact C-N 3.28Å; A346-H348 PolarHBondContact O-N 2.77Å; A346-R349 HydrophobicContact CB-CG 4.48Å
347I47.1Very low58.9Low136 Ų136128.3 Ų128.370%0.69765%0.651SS**THydrogen-bonded Turntrans-74.192-177.9-61.8-179.9000105.6K345K345-I347 WeakPolarHBondContact O-CG1 3.29Å; K345-I347 PolarHBondContact O-N 3.25Å
348H43.7Very low59.7Low167 Ų167134.6 Ų134.677%0.77368%0.679SS**THydrogen-bonded Turntrans49.976.8-175.5-52.9-77.7000113A346 E350A346-H348 VanDerWaalsContact C-N 3.28Å; A346-H348 PolarHBondContact O-N 2.77Å; H348-E350 VanDerWaalsContact C-N 3.33Å; H348-E350 PolarHBondContact O-N 3.43Å
349R46.5Very low60.1Low226 Ų226141.5 Ų141.585%0.85371%0.711SS**  trans-58.5113.1130.6-85.1-172.5175.8175.6-1.8105.2A346A346-R349 HydrophobicContact CB-CG 4.48Å
350E49.4Very low60.8Low164 Ų164139.8 Ų139.877%0.76670%0.704SS**  trans-53.7140.9163.5-64.5-172.6134.100107.7H348 E352H348-E350 VanDerWaalsContact C-N 3.33Å; H348-E350 PolarHBondContact O-N 3.43Å; E350-E352 PolarHBondContact O-N 3.49Å; E350-E352 VanDerWaalsContact O-N 3.1Å
351P52.2Low61.3Low111 Ų111137.8 Ų137.872%0.72170%0.699SS**  trans-59.4122178.125.8-33000108I353P351-I353 WeakPolarHBondContact O-CG1 3.42Å; P351-I353 PolarHBondContact O-N 3.1Å
352E55.6Low62.1Low181 Ų181139.1 Ų139.185%0.84670%0.701SS**  trans-52.9112.2178.6-175.3171.7-173.100108.4E350 M354E350-E352 PolarHBondContact O-N 3.49Å; E350-E352 VanDerWaalsContact O-N 3.1Å; E352-M354 PolarHBondContact O-N 3.49Å
353I64.1Low63.2Low155 Ų155138.5 Ų138.580%0.79569%0.693SS**  trans-75.682.8-168.1-54.1179.6000108.1P351 T355P351-I353 WeakPolarHBondContact O-CG1 3.42Å; P351-I353 PolarHBondContact O-N 3.1Å; I353-T355 PolarHBondContact O-N 2.98Å
354M63.5Low64.2Low164 Ų164137 Ų13781%0.80867%0.673SS**PPolyproline II helixtrans-55.9124.2170.6-63.6-17173.600108.5E352 I356E352-M354 PolarHBondContact O-N 3.49Å; M354-I356 PolarHBondContact O-N 3.12Å
355T61Low65.8Low140 Ų140129.9 Ų129.986%0.85965%0.651SS**PPolyproline II helixtrans-60124.7176.541.30000109.5I353 D357I353-T355 PolarHBondContact O-N 2.98Å; T355-D357 PolarHBondContact O-N 3.04Å
356I72.1Confident67.4Low99 Ų99123.1 Ų123.151%0.50863%0.628SS.*PPolyproline II helixtrans-61.5133.5170.1-61.1174000107.1M354 E358 A360 F361M354-I356 PolarHBondContact O-N 3.12Å; I356-E358 PolarHBondContact O-N 3.37Å; I356-A360 HydrophobicContact CG2-CB 4.2Å; I356-F361 HydrophobicContact CG2-CB 4.32Å
357D80.4Confident69.4Low102 Ų102122.6 Ų122.655%0.54562%0.617SS.*PPolyproline II helixtrans-50136.2176.4168.161.4000111.6T355 Q359 A360 F361T355-D357 PolarHBondContact O-N 3.04Å; D357-Q359 VanDerWaalsContact C-N 3.29Å; D357-Q359 PolarHBondContact O-N 2.9Å; D357-Q359 WeakPolarHBondContact OD2-CB 3.31Å; D357-Q359 PolarHBondContact OD2-N 2.93Å; D357-A360 HydrophobicContact CB-CB 4.18Å; D357-A360 WeakPolarHBondContact O-CB 3.16Å; D357-A360 PolarHBondContact O-N 2.66Å; D357-A360 VanDerWaalsContact O-N 3.13Å; D357-A360 PolarHBondContact OD2-N 3.31Å; D357-A360 VanDerWaalsContact OD2-N 3.11Å; D357-F361 PolarHBondContact O-N 3.04Å
358E80.9Confident70.9Confident154 Ų154117.8 Ų117.872%0.7259%0.593SS**Hα-helixtrans-62.3-36.5-171.7-65.6-172.6162.700111.8I356 F361 L362I356-E358 PolarHBondContact O-N 3.37Å; E358-F361 PolarHBondContact O-N 3.3Å; E358-L362 WeakPolarHBondContact O-CB 3.3Å; E358-L362 WeakPolarHBondContact O-CG 3.19Å; E358-L362 PolarHBondContact O-N 3.06Å
359Q81.3Confident72.5Confident145 Ų145117.7 Ų117.768%0.67859%0.59SS**Hα-helixtrans-69.8-41.3176.8-60.4-164.218.700111.5D357 F361 L362 L363D357-Q359 VanDerWaalsContact C-N 3.29Å; D357-Q359 PolarHBondContact O-N 2.9Å; D357-Q359 WeakPolarHBondContact OD2-CB 3.31Å; D357-Q359 PolarHBondContact OD2-N 2.93Å; Q359-F361 VanDerWaalsContact C-N 3.33Å; Q359-F361 PolarHBondContact O-N 3.15Å; Q359-L362 PolarHBondContact O-N 3.42Å; Q359-L363 WeakPolarHBondContact O-CB 3.33Å; Q359-L363 PolarHBondContact O-N 3.01Å
360A80.8Confident74Confident48 Ų48114.5 Ų114.540%0.39759%0.585SS.*Hα-helixtrans-61.8-38.717400000112.5I356 D357 R364I356-A360 HydrophobicContact CG2-CB 4.2Å; D357-A360 HydrophobicContact CB-CB 4.18Å; D357-A360 WeakPolarHBondContact O-CB 3.16Å; D357-A360 PolarHBondContact O-N 2.66Å; D357-A360 VanDerWaalsContact O-N 3.13Å; D357-A360 PolarHBondContact OD2-N 3.31Å; D357-A360 VanDerWaalsContact OD2-N 3.11Å; A360-R364 PolarHBondContact O-N 3.2Å
361F82Confident75Confident95 Ų95110.8 Ų110.842%0.41757%0.57SS.*Hα-helixtrans-67.2-45.5174.9178.3-109.1000112.2I356 D357 E358 Q359 R364 L365I356-F361 HydrophobicContact CG2-CB 4.32Å; D357-F361 PolarHBondContact O-N 3.04Å; E358-F361 PolarHBondContact O-N 3.3Å; Q359-F361 VanDerWaalsContact C-N 3.33Å; Q359-F361 PolarHBondContact O-N 3.15Å; F361-R364 WeakPolarHBondContact O-CB 3.37Å; F361-R364 PolarHBondContact O-N 2.97Å; F361-L365 HydrophobicContact CD1-CD1 3.99Å; F361-L365 HydrophobicContact CE1-CD1 3.45Å; F361-L365 VanDerWaalsContact CE1-CD1 3.45Å; F361-L365 HydrophobicContact CE1-CG 4.42Å; F361-L365 HydrophobicContact CE2-CD1 4.45Å; F361-L365 HydrophobicContact CZ-CD1 3.72Å; F361-L365 HydrophobicContact CZ-CG 4.34Å; F361-L365 PolarHBondContact O-N 3.04Å
362L83.7Confident75.3Confident106 Ų106114 Ų11456%0.55558%0.576SS**Hα-helixtrans-65.9-38.2178.4-72.2168.9000112.8E358 Q359 R364 L365 S366E358-L362 WeakPolarHBondContact O-CB 3.3Å; E358-L362 WeakPolarHBondContact O-CG 3.19Å; E358-L362 PolarHBondContact O-N 3.06Å; Q359-L362 PolarHBondContact O-N 3.42Å; L362-R364 VanDerWaalsContact C-N 3.32Å; L362-R364 PolarHBondContact O-N 3Å; L362-L365 PolarHBondContact O-N 2.82Å; L362-S366 PolarHBondContact O-N 3.19Å
363L84.3Confident75.4Confident111 Ų111113.3 Ų113.358%0.58158%0.578SS**Hα-helixtrans-61.2-39.3171-91.7160.8000112.2Q359 S366 T367Q359-L363 WeakPolarHBondContact O-CB 3.33Å; Q359-L363 PolarHBondContact O-N 3.01Å; L363-S366 PolarHBondContact O-N 3.43Å; L363-S366 PolarHBondContact O-OG 2.99Å; L363-T367 PolarHBondContact O-N 3.34Å; L363-T367 PolarHBondContact O-OG1 2.83Å
364R80.8Confident75.2Confident81 Ų81108.9 Ų108.931%0.30656%0.555SS.*Hα-helixtrans-64.4-42.3175.9-139.1169.6-173.9158.3-1.4111A360 F361 L362 T367 I368 F382A360-R364 PolarHBondContact O-N 3.2Å; F361-R364 WeakPolarHBondContact O-CB 3.37Å; F361-R364 PolarHBondContact O-N 2.97Å; L362-R364 VanDerWaalsContact C-N 3.32Å; L362-R364 PolarHBondContact O-N 3Å; R364-T367 PolarHBondContact O-N 3.47Å; R364-I368 WeakPolarHBondContact O-CD1 3.42Å; R364-I368 VanDerWaalsContact O-CG1 3.31Å; R364-I368 WeakPolarHBondContact O-CG1 3.44Å; R364-I368 PolarHBondContact O-N 3.01Å; R364-F382 PolarHBondContact NE-O 3.16Å; R364-F382 PolarHBondContact NH2-O 2.92Å
365L83.6Confident75Confident72 Ų72106.5 Ų106.538%0.37755%0.546SS..Hα-helixtrans-65.1-39.3174.1-79.3170.9000113.1F361 L362 I368 K369F361-L365 HydrophobicContact CD1-CD1 3.99Å; F361-L365 HydrophobicContact CE1-CD1 3.45Å; F361-L365 VanDerWaalsContact CE1-CD1 3.45Å; F361-L365 HydrophobicContact CE1-CG 4.42Å; F361-L365 HydrophobicContact CE2-CD1 4.45Å; F361-L365 HydrophobicContact CZ-CD1 3.72Å; F361-L365 HydrophobicContact CZ-CG 4.34Å; F361-L365 PolarHBondContact O-N 3.04Å; L362-L365 PolarHBondContact O-N 2.82Å; L365-I368 PolarHBondContact O-N 3.25Å; L365-K369 WeakPolarHBondContact O-CB 3.36Å; L365-K369 PolarHBondContact O-N 3.16Å
366S80.6Confident74.9Confident53 Ų53104.5 Ų104.537%0.37154%0.535SS..Hα-helixtrans-65.8-43.5176.569.40000111.4L362 L363 I368 K369 E370L362-S366 PolarHBondContact O-N 3.19Å; L363-S366 PolarHBondContact O-N 3.43Å; L363-S366 PolarHBondContact O-OG 2.99Å; S366-I368 VanDerWaalsContact C-N 3.29Å; S366-I368 PolarHBondContact O-N 3.04Å; S366-K369 PolarHBondContact O-N 3.07Å; S366-E370 PolarHBondContact O-N 3.06Å
367T83.7Confident74.3Confident64 Ų64106 Ų10639%0.39354%0.544SS..Hα-helixtrans-62.4-36.3176.7-470000111.8L363 R364 N371L363-T367 PolarHBondContact O-N 3.34Å; L363-T367 PolarHBondContact O-OG1 2.83Å; R364-T367 PolarHBondContact O-N 3.47Å; T367-N371 PolarHBondContact O-N 3.03Å; T367-N371 PolarHBondContact O-ND2 3.24Å
368I79.1Confident73.4Confident36 Ų36104 Ų10419%0.18554%0.536CS..Hα-helixtrans-65.9-40.3172.3-75.8164.4000111.1R364 L365 S366 N371 L379 L383R364-I368 WeakPolarHBondContact O-CD1 3.42Å; R364-I368 VanDerWaalsContact O-CG1 3.31Å; R364-I368 WeakPolarHBondContact O-CG1 3.44Å; R364-I368 PolarHBondContact O-N 3.01Å; L365-I368 PolarHBondContact O-N 3.25Å; S366-I368 VanDerWaalsContact C-N 3.29Å; S366-I368 PolarHBondContact O-N 3.04Å; I368-N371 CarbonylContact O-C 3.6Å; I368-N371 PolarHBondContact O-N 3.5Å; I368-L379 HydrophobicContact CB-CD2 4.41Å; I368-L379 HydrophobicContact CD1-CD2 3.8Å; I368-L379 HydrophobicContact CG1-CD2 3.85Å; I368-L379 HydrophobicContact CG2-CD2 3.68Å; I368-L383 HydrophobicContact CD1-CD1 4.33Å; I368-L383 HydrophobicContact CD1-CD2 3.77Å; I368-L383 HydrophobicContact CD1-CG 4.09Å
369K77Confident72.2Confident164 Ų16499 Ų9971%0.71351%0.514SS*.Hα-helixtrans-73.3-31.8-178-167.9-179.8177.4-171.90113.6L365 S366 N371 E372L365-K369 WeakPolarHBondContact O-CB 3.36Å; L365-K369 PolarHBondContact O-N 3.16Å; S366-K369 PolarHBondContact O-N 3.07Å; K369-N371 VanDerWaalsContact C-N 3.28Å; K369-E372 WeakPolarHBondContact O-CG 3.4Å
370E77.6Confident71.1Confident160 Ų160100 Ų10075%0.74852%0.516SS*.Hα-helixtrans-70.9-25.9173.2-70.8-177.3147.400112.4S366S366-E370 PolarHBondContact O-N 3.06Å
371N70.8Confident70.1Confident86 Ų86105 Ų10546%0.4653%0.531SS..  trans-10169177-67.1-76.7000111.1T367 I368 K369 N373 I374T367-N371 PolarHBondContact O-N 3.03Å; T367-N371 PolarHBondContact O-ND2 3.24Å; I368-N371 CarbonylContact O-C 3.6Å; I368-N371 PolarHBondContact O-N 3.5Å; K369-N371 VanDerWaalsContact C-N 3.28Å; N371-N373 PolarHBondContact O-N 3.43Å; N371-I374 HydrophobicContact CB-CD1 3.49Å; N371-I374 VanDerWaalsContact CB-CD1 3.49Å; N371-I374 HydrophobicContact CB-CG1 3.79Å; N371-I374 PolarHBondContact O-N 3Å
372E58.9Low68.8Low179 Ų179106 Ų10684%0.83654%0.535SS*.THydrogen-bonded Turntrans-608.8-179-67-165.6129.200115.9K369K369-E372 WeakPolarHBondContact O-CG 3.4Å
373N58.6Low67.5Low166 Ų166105.2 Ų105.289%0.88853%0.531SS*.THydrogen-bonded Turntrans-132.123.6-171.6-134.4-0.9000113.3N371N371-N373 PolarHBondContact O-N 3.43Å
374I58.4Low65.8Low61 Ų61102.5 Ų102.531%0.31353%0.53SS..  trans-86.4124.6176.1-63.7176.7000110.3N371 T378 L379N371-I374 HydrophobicContact CB-CD1 3.49Å; N371-I374 VanDerWaalsContact CB-CD1 3.49Å; N371-I374 HydrophobicContact CB-CG1 3.79Å; N371-I374 PolarHBondContact O-N 3Å; I374-T378 VanDerWaalsContact CG2-OG1 3.32Å; I374-T378 WeakPolarHBondContact CG2-OG1 3.29Å; I374-L379 HydrophobicContact CG2-CG 4.02Å
375D58.9Low64Low115 Ų115103 Ų10362%0.61555%0.546SS*.  trans-54.7146.8175.2-81.7-57.7000113.3N377 T378 L379D375-N377 PolarHBondContact O-N 3.33Å; D375-T378 PolarHBondContact N-OG1 3.41Å; D375-T378 PolarHBondContact O-N 3.27Å; D375-T378 VanDerWaalsContact O-N 3.12Å; D375-T378 PolarHBondContact O-OG1 3.34Å; D375-L379 PolarHBondContact O-N 2.89Å; D375-L379 VanDerWaalsContact O-N 3.1Å
376P59.4Low61.7Low97 Ų97104 Ų10463%0.6357%0.573SS**Hα-helixtrans-62-19.7-179.825.4-35000113.8
377N60.7Low59.5Low132 Ų132103.9 Ų103.971%0.70658%0.58SS**Hα-helixtrans-76.8-44.7175.3-67.7-33000112.1D375 L379 K380 E381D375-N377 PolarHBondContact O-N 3.33Å; N377-L379 VanDerWaalsContact C-N 3.33Å; N377-L379 PolarHBondContact O-N 2.92Å; N377-K380 WeakPolarHBondContact O-CB 3.41Å; N377-K380 PolarHBondContact O-N 3.31Å; N377-E381 PolarHBondContact O-N 3.17Å
378T61.3Low57.2Low60 Ų60109.2 Ų109.237%0.36861%0.606SS.*Hα-helixtrans-68.1-32.2176.225.40000111.9I374 D375 K380 E381 F382I374-T378 VanDerWaalsContact CG2-OG1 3.32Å; I374-T378 WeakPolarHBondContact CG2-OG1 3.29Å; D375-T378 PolarHBondContact N-OG1 3.41Å; D375-T378 PolarHBondContact O-N 3.27Å; D375-T378 VanDerWaalsContact O-N 3.12Å; D375-T378 PolarHBondContact O-OG1 3.34Å; T378-K380 PolarHBondContact O-N 3.39Å; T378-E381 PolarHBondContact O-N 3.36Å; T378-F382 WeakPolarHBondContact O-CB 3.29Å; T378-F382 PolarHBondContact O-N 3.5Å
379L53.9Low55.1Low49 Ų49116 Ų11626%0.25764%0.636SS.*Hα-helixtrans-55.5-36.7167.7-85.3170.7000112.7I368 I374 D375 N377 F382 L383I368-L379 HydrophobicContact CB-CD2 4.41Å; I368-L379 HydrophobicContact CD1-CD2 3.8Å; I368-L379 HydrophobicContact CG1-CD2 3.85Å; I368-L379 HydrophobicContact CG2-CD2 3.68Å; I374-L379 HydrophobicContact CG2-CG 4.02Å; D375-L379 PolarHBondContact O-N 2.89Å; D375-L379 VanDerWaalsContact O-N 3.1Å; N377-L379 VanDerWaalsContact C-N 3.33Å; N377-L379 PolarHBondContact O-N 2.92Å; L379-F382 PolarHBondContact O-N 2.71Å; L379-L383 WeakPolarHBondContact O-CB 2.96Å; L379-L383 WeakPolarHBondContact O-CG 3.49Å; L379-L383 PolarHBondContact O-N 2.93Å
380K59.4Low53Low165 Ų165113.7 Ų113.772%0.71764%0.641SS**Hα-helixtrans-73-35.3-178.6-158.3176.4-175.1-179.80112.7N377 T378 G384N377-K380 WeakPolarHBondContact O-CB 3.41Å; N377-K380 PolarHBondContact O-N 3.31Å; T378-K380 PolarHBondContact O-N 3.39Å; K380-G384 WeakPolarHBondContact O-CA 3.41Å; K380-G384 PolarHBondContact O-N 3.19Å
381E60.1Low50.8Low154 Ų154113.3 Ų113.372%0.7264%0.644SS**Hα-helixtrans-67.6-45.6167.5-84.4-173.2132.800111.3N377 T378 L383 G384N377-E381 PolarHBondContact O-N 3.17Å; T378-E381 PolarHBondContact O-N 3.36Å; E381-L383 VanDerWaalsContact C-N 3.26Å; E381-L383 PolarHBondContact O-N 2.92Å; E381-G384 PolarHBondContact O-N 3.04Å
382F53.5Low49Very low116 Ų116114.8 Ų114.851%0.50966%0.661SS.*Hα-helixtrans-64.2-28.9-176.7-119.8-94.5000113.7R364 T378 L379R364-F382 PolarHBondContact NE-O 3.16Å; R364-F382 PolarHBondContact NH2-O 2.92Å; T378-F382 WeakPolarHBondContact O-CB 3.29Å; T378-F382 PolarHBondContact O-N 3.5Å; L379-F382 PolarHBondContact O-N 2.71Å
383L58Low47.8Very low88 Ų88115.4 Ų115.446%0.46166%0.661SS.*Hα-helixtrans-100.1-19.7177.7-65.3170.4000113.7I368 L379 E381I368-L383 HydrophobicContact CD1-CD1 4.33Å; I368-L383 HydrophobicContact CD1-CD2 3.77Å; I368-L383 HydrophobicContact CD1-CG 4.09Å; L379-L383 WeakPolarHBondContact O-CB 2.96Å; L379-L383 WeakPolarHBondContact O-CG 3.49Å; L379-L383 PolarHBondContact O-N 2.93Å; E381-L383 VanDerWaalsContact C-N 3.26Å; E381-L383 PolarHBondContact O-N 2.92Å
384G48.2Very low46.4Very low54 Ų54116.6 Ų116.656%0.55766%0.661SS**Hα-helixtrans-107.74.7-159.500000118K380 E381K380-G384 WeakPolarHBondContact O-CA 3.41Å; K380-G384 PolarHBondContact O-N 3.19Å; E381-G384 PolarHBondContact O-N 3.04Å
385S41.7Very low45.1Very low93 Ų93119.6 Ų119.665%0.6568%0.684SS**  trans-147.897.6175.1-820000114.5G387S385-G387 PolarHBondContact O-N 2.77Å; S385-G387 VanDerWaalsContact O-N 3.08Å
386G35.7Very low43.7Very low91 Ų91118.4 Ų118.494%0.93869%0.69SS**  trans-76.666.6157.800000111
387G34.6Very low42.5Very low51 Ų51121.5 Ų121.553%0.52670%0.702SS.*  trans-134.397.8-175.100000112.3S385 H389S385-G387 PolarHBondContact O-N 2.77Å; S385-G387 VanDerWaalsContact O-N 3.08Å; G387-H389 PolarHBondContact O-N 2.69Å
388L35.8Very low41.2Very low176 Ų176120 Ų12092%0.92170%0.701SS**  trans-7396.2-179.1-80.1159.7000111.8S390L388-S390 PolarHBondContact O-N 2.85Å; L388-S390 VanDerWaalsContact O-N 3.1Å
389H34.7Very low39.9Very low179 Ų179125.6 Ų125.683%0.82973%0.728SS**  trans-73.594.3166.5-78.5-177.3000111G387 N391G387-H389 PolarHBondContact O-N 2.69Å; H389-N391 VanDerWaalsContact C-N 3.27Å; H389-N391 PolarHBondContact O-N 3.34Å
390S32.1Very low38.8Very low116 Ų116132.4 Ų132.481%0.81176%0.756SS**  trans-73.471.8176.746.90000112.6L388 S392L388-S390 PolarHBondContact O-N 2.85Å; L388-S390 VanDerWaalsContact O-N 3.1Å; S390-S392 VanDerWaalsContact C-N 3.31Å; S390-S392 PolarHBondContact O-N 2.97Å
391N31.4Very low37.7Very low152 Ų152132.9 Ų132.981%0.81377%0.765SS**  trans-77.373.6-173.4-139.6-4.6000112.8H389 K393H389-N391 VanDerWaalsContact C-N 3.27Å; H389-N391 PolarHBondContact O-N 3.34Å; N391-K393 PolarHBondContact O-N 3.21Å; N391-K393 VanDerWaalsContact O-N 3.11Å
392S32.9Very low36.6Very low116 Ų116128.3 Ų128.381%0.81176%0.758SS**  trans-82.479.5-177.2177.90000113.2S390S390-S392 VanDerWaalsContact C-N 3.31Å; S390-S392 PolarHBondContact O-N 2.97Å
393K34.5Very low35.8Very low192 Ų192129.4 Ų129.484%0.83578%0.78SS**  trans-136.185.1163-79.2-171.6176.51780111.8N391N391-K393 PolarHBondContact O-N 3.21Å; N391-K393 VanDerWaalsContact O-N 3.11Å
394Q28.5Very low34.8Very low191 Ų191128.9 Ų128.989%0.89380%0.797SS**  trans-83.1150.4158.1-75-173.9-21.500110.3
395P31Very low34.3Very low124 Ų124130.7 Ų130.781%0.80581%0.806SS**  -129.8134128.235-27.2000112.9
396A29.4Very low34.2Very low90 Ų90135.6 Ų135.674%0.74482%0.816SS**  trans38.5121.2151.300000120.4
397N34.7Very low34.3Very low163 Ų163136.8 Ų136.887%0.87281%0.805SS**  -143.1146.8116.6-114.1-31.2000112.9
398S33.7Very low34.7Very low99 Ų99141.8 Ų141.869%0.69282%0.816SS**  trans-47.1145.4-169.454.90000118.9
399L35.1Very low34.9Very low178 Ų178139.5 Ų139.593%0.93281%0.805SS**  -159.4166.8117.4-102.5154.5000111
400K30.6Very low35.2Very low192 Ų192137.3 Ų137.384%0.83580%0.799SS**  trans-110.8175.4-161.3-83179.9169.5176.40114
401I35.9Very low35.8Very low176 Ų176138.4 Ų138.490%0.90380%0.796SS**  trans102.2125.8166.4-55.2155.5000113.1
402G36.7Very low36.2Very low57 Ų57137.8 Ų137.859%0.58879%0.793SS**  cis159.8121.9-14.700000114.9
403S37.6Very low36.5Very low139 Ų139143 Ų14397%0.97280%0.795SS**  trans58.5148.8175.460.30000116.8
404G36.9Very low36.6Very low78 Ų78141.6 Ų141.680%0.80480%0.796SS**  cis167.5169-3.100000106.3
405A37.6Very low37.4Very low91 Ų91138.6 Ų138.675%0.75279%0.793SS**  cis177.5154.3-7.400000105.5
406K39.1Very low37.9Very low197 Ų197139 Ų13986%0.85779%0.793SS**  trans69.3160.9173.9-54-176.8177.3-178.30116.9
407T36.8Very low38.3Very low115 Ų115139.7 Ų139.771%0.70679%0.792SS**  cis-164.9142.8-3634.10000109.6
408M42.9Very low38.6Very low156 Ų156137.9 Ų137.977%0.76879%0.789SS**  trans70.8152.5147.3-74.5-17968.700122
409D41.5Very low38.9Very low128 Ų128139 Ų13968%0.68479%0.792SS**  trans73.9130.3155.3-56.4-12.7000124.1
410D41.5Very low39.7Very low133 Ų133136.3 Ų136.371%0.71179%0.785SS**  trans74.7108.8140.1-81.514.6000124.4
411N43Very low40Very low139 Ų139134.6 Ų134.674%0.74378%0.783SS**  86.4145.7126.7-71.9-45.1000122.1
412D39.9Very low40.1Very low140 Ų140136.2 Ų136.275%0.74979%0.785SS**  trans82.1132.4152.4-105.2-23.3000122.6
413R39.1Very low40.1Very low224 Ų224144.3 Ų144.385%0.84580%0.797SS**  trans80.3127.2154.2-65.4172.8179.5-145.9-5.3121.7
414L37.1Very low39.9Very low164 Ų164141.1 Ų141.186%0.85978%0.779SS**PPolyproline II helixtrans-58.2140.6173.8-57.7160000113.7
415P44.8Very low39.7Very low127 Ų127147.8 Ų147.883%0.82579%0.786SS**PPolyproline II helixtrans-90.2122.7156.933.1-28.2000110.9
416V42.4Very low39.8Very low133 Ų133150.7 Ų150.781%0.80679%0.787SS**PPolyproline II helixtrans-82.9134167.7174.20000109
417S37.8Very low39.8Very low105 Ų105146.9 Ų146.973%0.73479%0.786SS**PPolyproline II helixtrans-75.9134.3176.145.10000111.8
418P41Very low39.8Very low124 Ų124147.3 Ų147.381%0.80579%0.79SS**PPolyproline II helixtrans-82.5138.6-178.432.1-34.3000112.3
419T40.1Very low39.4Very low124 Ų124147 Ų14776%0.76180%0.797SS**PPolyproline II helixtrans-85.1141.7165.639.60000111.2I421T419-I421 PolarHBondContact O-N 3.18Å
420P51.2Low39.2Very low121 Ų121144 Ų14479%0.78680%0.796SS**PPolyproline II helixtrans-75.3124.2173.530-32.7000110.7
421I37.5Very low38.9Very low155 Ų155143.1 Ų143.180%0.79580%0.798SS**PPolyproline II helixtrans-79.4119176.3-62.8167.4000109.3T419T419-I421 PolarHBondContact O-N 3.18Å
422F38.5Very low38.5Very low211 Ų211143.4 Ų143.493%0.92580%0.798SS**PPolyproline II helixtrans-91.1133.9160.4-110.3-84.5000110.8
423R36Very low38.3Very low227 Ų227143 Ų14386%0.85780%0.795SS**  trans-109.8116.6-162.5176.4179.3-118.1175-1.8112.4
424A33.1Very low38Very low71 Ų71138.6 Ų138.659%0.58779%0.789SS**  trans38.3126148.500000120.5I426A424-I426 HydrophobicContact CB-CG1 4.48Å
425K33.7Very low37.9Very low218 Ų218137.7 Ų137.795%0.94878%0.784SS**  -123.2133.3122.9-85.6-175.1176.51760109.5
426I39.3Very low37.5Very low153 Ų153137.2 Ų137.279%0.78578%0.779SS**  trans-130.5128.3177-54.1166.1000105.8A424A424-I426 HydrophobicContact CB-CG1 4.48Å
427S38.8Very low37.2Very low117 Ų117135.8 Ų135.882%0.81878%0.775SS**  trans-173154160.8-870000109.7
428P36.4Very low37.1Very low123 Ų123137.1 Ų137.180%0.79978%0.779SS**  -122.6172.8-125.940.5-31.1000115.9
429V34.3Very low37Very low150 Ų150137.6 Ų137.691%0.90978%0.782SS**  trans-70.3135.2167.7177.60000110.4
430G37.2Very low36.8Very low66 Ų66137 Ų13768%0.6878%0.783SS**  trans-155.5142.5171.600000110.6
431P36.7Very low36.2Very low114 Ų114139.3 Ų139.374%0.7479%0.787SS**  trans-107147.3-160.538-32.7000116.4
432I33.7Very low36.4Very low144 Ų144140.6 Ų140.674%0.73879%0.789SS**  trans42.798.4133.2-45.5166.2000117.3
433N35.4Very low36.3Very low131 Ų131134.3 Ų134.370%0.70179%0.785SS**  172.3142.8116.4-96.7-52.6000115.6
434N33.2Very low36.8Very low132 Ų132128.4 Ų128.471%0.70677%0.774SS**  trans57123.1140.6-66.7-18.9000124.2
435L35.5Very low38.4Very low146 Ų146129.3 Ų129.376%0.76478%0.776SS**  trans83.8123.7133.3-96.271.3000122.3
436T35.2Very low40.2Very low116 Ų116124.3 Ų124.371%0.71276%0.759SS**  trans65.1102.6141.850.80000121.9
437S36Very low42.1Very low103 Ų103119.1 Ų119.172%0.7274%0.743SS**  97.2142.6115.577.90000121.2
438T37.3Very low44Very low134 Ų134118.9 Ų118.982%0.82274%0.737SS**  trans68.9132.9171.8650000117.8
439P37.1Very low46Very low133 Ų133117.5 Ų117.586%0.86472%0.722SS**  trans-93150-17736.5-34.4000112.9
440S37.6Very low48.1Very low112 Ų112113 Ų11378%0.78370%0.701SS**  trans-130.5143.8162.262.10000110
441I36.9Very low50.2Low170 Ų170114.7 Ų114.787%0.87269%0.694SS**  trans-83.1119.8-167.2-62.3161.4000110
442Q41.7Very low52.4Low181 Ų181115.2 Ų115.285%0.84669%0.686SS**  trans-129.8121.4160.1-72.1-168.9-18.100109.1T444Q442-T444 PolarHBondContact O-N 2.98Å
443G36.3Very low54.7Low80 Ų80114.4 Ų114.483%0.82568%0.677SS**  trans-83.7113.1-175.300000112.3
444T47.5Very low56.9Low102 Ų102110.3 Ų110.363%0.62666%0.659SS**  trans-114.7157.3160.954.50000109.2Q442 D446 G447Q442-T444 PolarHBondContact O-N 2.98Å; T444-D446 PolarHBondContact O-N 2.75Å; T444-D446 VanDerWaalsContact O-N 3.12Å; T444-G447 PolarHBondContact O-N 3.07Å
445S66.4Low59.1Low90 Ų90108.4 Ų108.463%0.62965%0.648SS**Hα-helixtrans-60.1-25.2-170.643.30000114.8G447 V448 L449S445-G447 VanDerWaalsContact C-N 3.27Å; S445-G447 PolarHBondContact O-N 3.45Å; S445-V448 PolarHBondContact O-N 3.27Å; S445-V448 VanDerWaalsContact O-N 3.17Å; S445-L449 PolarHBondContact O-N 2.71Å
446D71.5Confident61.2Low113 Ų113106.6 Ų106.660%0.60464%0.639SS**Hα-helixtrans-58.9-34.6176.7-74.3-44.7000113.2T444 V448 L449 A450T444-D446 PolarHBondContact O-N 2.75Å; T444-D446 VanDerWaalsContact O-N 3.12Å; D446-V448 VanDerWaalsContact C-N 3.28Å; D446-V448 PolarHBondContact O-N 3.09Å; D446-L449 PolarHBondContact O-N 2.98Å; D446-A450 VanDerWaalsContact O-CB 3.3Å; D446-A450 WeakPolarHBondContact O-CB 3.44Å; D446-A450 PolarHBondContact O-N 3.17Å
447G78.3Confident63.1Low44 Ų44108 Ų10845%0.45464%0.641SS.*Hα-helixtrans-61-39.4177.600000112.3T444 S445 D451T444-G447 PolarHBondContact O-N 3.07Å; S445-G447 VanDerWaalsContact C-N 3.27Å; S445-G447 PolarHBondContact O-N 3.45Å; G447-D451 PolarHBondContact O-N 3.27Å
448V79.2Confident64.7Low113 Ų113110.3 Ų110.369%0.68564%0.638SS**Hα-helixtrans-71.8-37.3178.7-174.80000111.1S445 D446 F452S445-V448 PolarHBondContact O-N 3.27Å; S445-V448 VanDerWaalsContact O-N 3.17Å; D446-V448 VanDerWaalsContact C-N 3.28Å; D446-V448 PolarHBondContact O-N 3.09Å; V448-F452 WeakPolarHBondContact O-CB 3.33Å; V448-F452 PolarHBondContact O-N 2.65Å
449L78.3Confident65.6Low93 Ų93112.6 Ų112.649%0.48764%0.637SS.*Hα-helixtrans-68.4-41.7174.5-66175.5000111.8S445 D446 D451 F452 F453S445-L449 PolarHBondContact O-N 2.71Å; D446-L449 PolarHBondContact O-N 2.98Å; L449-D451 PolarHBondContact O-N 2.85Å; L449-F452 PolarHBondContact O-N 2.97Å; L449-F453 WeakPolarHBondContact O-CD2 3.42Å; L449-F453 PolarHBondContact O-N 2.71Å
450A79.3Confident65.8Low57 Ų57116.3 Ų116.347%0.47163%0.634SS.*Hα-helixtrans-61.8-42.7176.400000111.8D446 S454D446-A450 VanDerWaalsContact O-CB 3.3Å; D446-A450 WeakPolarHBondContact O-CB 3.44Å; D446-A450 PolarHBondContact O-N 3.17Å; A450-S454 WeakPolarHBondContact O-CB 3.49Å; A450-S454 PolarHBondContact O-N 3.22Å; A450-S454 PolarHBondContact O-OG 2.94Å
451D81.1Confident66.2Low100 Ų100116.8 Ų116.854%0.53563%0.634SS.*Hα-helixtrans-68.3-36.6172.7-101.6-25.4000112.4G447 L449 S454 N455G447-D451 PolarHBondContact O-N 3.27Å; L449-D451 PolarHBondContact O-N 2.85Å; D451-S454 PolarHBondContact O-N 2.87Å; D451-N455 VanDerWaalsContact O-CB 3.3Å; D451-N455 WeakPolarHBondContact O-CB 3.3Å; D451-N455 VanDerWaalsContact O-CG 3.29Å; D451-N455 PolarHBondContact O-N 3.42Å; D451-N455 PolarHBondContact O-ND2 3.34Å
452F83.1Confident66.5Low126 Ų126114.4 Ų114.455%0.55363%0.627SS**Hα-helixtrans-61.9-51176.1-175-96.1000111.8V448 L449 N455 L456V448-F452 WeakPolarHBondContact O-CB 3.33Å; V448-F452 PolarHBondContact O-N 2.65Å; L449-F452 PolarHBondContact O-N 2.97Å; F452-N455 PolarHBondContact O-N 2.95Å; F452-L456 HydrophobicContact CE1-CD1 4.11Å; F452-L456 HydrophobicContact CZ-CD1 4.14Å; F452-L456 PolarHBondContact O-N 3.42Å
453F81.6Confident66.4Low126 Ų126111.7 Ų111.755%0.55362%0.622SS**Hα-helixtrans-64.4-39.2175.3-82.4-75000112.4L449 N455 L456 L457L449-F453 WeakPolarHBondContact O-CD2 3.42Å; L449-F453 PolarHBondContact O-N 2.71Å; F453-N455 VanDerWaalsContact C-N 3.32Å; F453-N455 PolarHBondContact O-N 3.35Å; F453-L456 WeakPolarHBondContact O-CB 3.47Å; F453-L456 PolarHBondContact O-N 3.3Å; F453-L457 WeakPolarHBondContact O-CG 3.41Å; F453-L457 PolarHBondContact O-N 2.95Å
454S81.6Confident66.5Low46 Ų46114.6 Ų114.632%0.32262%0.619SS.*Hα-helixtrans-61.5-39175.2-66.90000112.4A450 D451 K458A450-S454 WeakPolarHBondContact O-CB 3.49Å; A450-S454 PolarHBondContact O-N 3.22Å; A450-S454 PolarHBondContact O-OG 2.94Å; D451-S454 PolarHBondContact O-N 2.87Å; S454-K458 WeakPolarHBondContact O-CB 3.19Å; S454-K458 WeakPolarHBondContact O-CD 3.34Å; S454-K458 WeakPolarHBondContact O-CG 3.4Å; S454-K458 PolarHBondContact O-N 3.26Å
455N80.6Confident65.8Low91 Ų91116.8 Ų116.849%0.48763%0.627SS.*Hα-helixtrans-75-32.3176.9-73.9-48.6000112.3D451 F452 F453 K459D451-N455 VanDerWaalsContact O-CB 3.3Å; D451-N455 WeakPolarHBondContact O-CB 3.3Å; D451-N455 VanDerWaalsContact O-CG 3.29Å; D451-N455 PolarHBondContact O-N 3.42Å; D451-N455 PolarHBondContact O-ND2 3.34Å; F452-N455 PolarHBondContact O-N 2.95Å; F453-N455 VanDerWaalsContact C-N 3.32Å; F453-N455 PolarHBondContact O-N 3.35Å; N455-K459 WeakPolarHBondContact O-CB 3.39Å; N455-K459 PolarHBondContact O-N 3.01Å; N455-K459 VanDerWaalsContact O-N 3.15Å
456L77.8Confident64.5Low108 Ų108118.5 Ų118.557%0.56563%0.634SS**Hα-helixtrans-60.5-48.3169.4-128.678.8000111.3F452 F453 K459F452-L456 HydrophobicContact CE1-CD1 4.11Å; F452-L456 HydrophobicContact CZ-CD1 4.14Å; F452-L456 PolarHBondContact O-N 3.42Å; F453-L456 WeakPolarHBondContact O-CB 3.47Å; F453-L456 PolarHBondContact O-N 3.3Å; L456-K459 PolarHBondContact O-N 3.15Å
457L75.1Confident62.9Low145 Ų145119.7 Ų119.776%0.75965%0.646SS**Hα-helixtrans-67.9-33.3-179.8-73.6165.3000113.3F453F453-L457 WeakPolarHBondContact O-CG 3.41Å; F453-L457 PolarHBondContact O-N 2.95Å
458K71.1Confident60.8Low153 Ų153120.7 Ų120.767%0.66566%0.655SS**Hα-helixtrans-74.1-26.4176.2-73.8166.9-172.5170.50113S454 R460S454-K458 WeakPolarHBondContact O-CB 3.19Å; S454-K458 WeakPolarHBondContact O-CD 3.34Å; S454-K458 WeakPolarHBondContact O-CG 3.4Å; S454-K458 PolarHBondContact O-N 3.26Å; K458-R460 VanDerWaalsContact C-N 3.29Å; K458-R460 PolarHBondContact O-N 2.94Å
459K55Low58.9Low181 Ų181124.2 Ų124.279%0.78766%0.664SS**  trans-82.465.1-174.3-161.8178.3-176.3-179.90112.9N455 L456N455-K459 WeakPolarHBondContact O-CB 3.39Å; N455-K459 PolarHBondContact O-N 3.01Å; N455-K459 VanDerWaalsContact O-N 3.15Å; L456-K459 PolarHBondContact O-N 3.15Å
460R41Very low57Low212 Ų212125.5 Ų125.580%0.868%0.677SS**PPolyproline II helixtrans-57.7145.3163.6-74.4-176175.4177.8-1.5110.4K458 V462K458-R460 VanDerWaalsContact C-N 3.29Å; K458-R460 PolarHBondContact O-N 2.94Å; R460-V462 PolarHBondContact O-N 3.43Å
461P46.4Very low55.1Low122 Ų122127.6 Ų127.679%0.79269%0.688SS**PPolyproline II helixtrans-66130.4174.328-33.9000110.3
462V44.1Very low53.2Low120 Ų120129.6 Ų129.673%0.72770%0.704SS**PPolyproline II helixtrans-82.3120.5175.2177.40000109R460 N464R460-V462 PolarHBondContact O-N 3.43Å; V462-N464 WeakPolarHBondContact CG1-OD1 3.35Å
463V38.6Very low51Low123 Ų123132.2 Ų132.275%0.74572%0.718SS**  trans-87.9113.3170.81780000108.5
464N38.6Very low48.9Very low142 Ų142131 Ų13176%0.75972%0.722SS**  trans-108.4111.4172.5-79.9-7.2000110.2V462V462-N464 WeakPolarHBondContact CG1-OD1 3.35Å
465N32.6Very low46.7Very low147 Ų147136.5 Ų136.579%0.78674%0.743SS**  trans-105.7123.8168.6-90.3-10.2000109.8
466T39.6Very low44.7Very low127 Ų127140.3 Ų140.378%0.77976%0.762SS**  trans170.4141.6166.430.10000107.4
467T37.3Very low42.7Very low138 Ų138141.5 Ų141.585%0.84777%0.765SS**  cis-166.5160.5-89.90000108.5
468G35.1Very low40.8Very low64 Ų64144.7 Ų144.766%0.6677%0.767SS**  trans110118.617700000112.4
469E39.6Very low39.2Very low187 Ų187143.9 Ų143.987%0.87478%0.775SS**  75122.170.2-72.2-179.9-161.600112.5
470T38Very low38.5Very low121 Ų121139.4 Ų139.474%0.74277%0.766SS**  cis-158.6156.94.1-11.70000113.6
471S40.2Very low38.5Very low101 Ų101137.9 Ų137.971%0.70677%0.769SS**  trans68.6133.7150.152.50000124.4
472T40.3Very low38.4Very low141 Ų141137 Ų13787%0.86577%0.765SS**  trans79.994.5144.644.60000123.2
473E36.4Very low38.4Very low182 Ų182137 Ų13785%0.8577%0.77SS**  trans-62.9-175.8145.8-101.5-167.6126.100114.6
474P38.8Very low39Very low99 Ų99134.6 Ų134.664%0.64377%0.77SS**  cis-140.6179.7-24.635.6-15.7000115.9
475Q33.8Very low39.7Very low163 Ų163136.6 Ų136.676%0.76277%0.772SS**  trans39.3122.7142-71.2-84.7-5.300122.3
476L39.3Very low40.6Very low171 Ų171136.3 Ų136.390%0.89577%0.77SS**  trans-165.1177.9134-111.5165.4000113.5
477Q36.7Very low41.4Very low133 Ų133141.2 Ų141.262%0.62179%0.789SS**  trans-116.6155.2-154.6-73.7-170.78.800117.4
478R34.4Very low41.6Very low211 Ų211141.4 Ų141.480%0.79679%0.787SS**  trans77.1156144-77.4164.2-172.1-155.40.4121.3
479T37.8Very low41.9Very low136 Ų136145.5 Ų145.583%0.83479%0.793SS**  trans72.2150.6165.862.70000118.4
480S39.2Very low42Very low87 Ų87143.2 Ų143.261%0.60879%0.789SS**  cis-170176.7-29.957.80000110.1
481Q42.5Very low42.3Very low181 Ų181144.5 Ų144.585%0.84679%0.792SS**  trans73.3159.3171.8-51.7175.736.300116.2
482S42.8Very low42.4Very low104 Ų104147.2 Ų147.273%0.72780%0.797SS**  cis-171.8178.4-32.869.20000108.1
483S45.1Very low42.5Very low118 Ų118147.6 Ų147.683%0.82579%0.792SS**  cis-163.41470.1-152.80000112
484G50.1Low43Very low73 Ų73145.1 Ų145.175%0.75379%0.788SS**  trans83169.9155.600000119.1
485K53.9Low43.3Very low184 Ų184148.7 Ų148.780%0.880%0.799SS**  cis-168.1134.7-7.1-156.8-170.7-178.8-171.50112.8
486L50.8Low44.1Very low142 Ų142147.5 Ų147.574%0.74380%0.802SS**  trans59150.8163.6-71.9158.6000116.5
487I56.3Low44.5Very low230 Ų230145.4 Ų145.4100%1.17979%0.794SS**  cis-99.1016.8-67.2170.7000112.1

Retrieved 487 of 487 residues in 200 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).