THIK_HUMAN Loading...

3-ketoacyl-CoA thiolase, peroxisomal

Responsible for the thiolytic cleavage of straight chain 3-keto fatty acyl-CoAs (3-oxoacyl-CoAs)1,2. Plays an important role in fatty acid peroxisomal beta-oxidation3,4. Catalyzes the cleavage of short, medium, long, and very long straight chain 3-oxoacyl-CoAs5,6.

AlphaFold DB , UniProt , Accession P09110, Species HUMAN (Homo sapiens, Human), Gene ACAA1, Length 424 aa.

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

 

Download Structure   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
1M45.8Very low42.7Very low246 Ų246162.2 Ų162.2100%1.21283%0.827SS**  036.70-68.5177-174.400112.8
2Q45.2Very low42.4Very low193 Ų193168.9 Ų168.990%0.90284%0.835SS**  trans-142.440.5-175.9-82.8-178.4-24.700112.6
3R41.2Very low42Very low242 Ų242161.4 Ų161.491%0.91383%0.827SS**SBendtrans-131.59.8176.5-86.7-170.9176.1-173.1-1115.3
4L45.1Very low42Very low161 Ų161159.4 Ų159.484%0.84383%0.829SS**SBendtrans-109.71.1-177.4-109127.1000115.4
5Q47.7Very low42.3Very low181 Ų181155.3 Ų155.385%0.84683%0.829SS**SBendtrans-97.8-7.2-179.7-91.1178.9-23.900115.3
6V45.8Very low42.2Very low124 Ų124156.4 Ų156.475%0.75284%0.835SS**SBendtrans-88.6-11.9-176.2179.50000113
7V39.6Very low42.5Very low124 Ų124153.8 Ų153.875%0.75283%0.832SS**SBendtrans-96.4-8.9-178.2-175.30000113.1
8L42.7Very low42Very low132 Ų132149.9 Ų149.969%0.69183%0.833SS**THydrogen-bonded Turntrans-90.32.9177.7-81.4158.5000114.2
9G40.6Very low41.6Very low59 Ų59154.5 Ų154.561%0.60884%0.836SS**THydrogen-bonded Turntrans-92.64.3-178.100000115.8
10H37.7Very low41.5Very low175 Ų175155.4 Ų155.481%0.8184%0.837SS**SBendtrans-109.68.9-177.9-67.513.5000113.4
11L38.8Very low41.7Very low147 Ų147153.5 Ų153.577%0.7783%0.833SS**SBendtrans-111.820.5-178.6-70174.5000114
12R38.5Very low41.3Very low243 Ų243150.7 Ų150.792%0.91782%0.817SS**  trans-138.184.2173.2-70.4-172.5178.5179.6-0.9110.7
13G38Very low41.2Very low71 Ų71146.2 Ų146.273%0.73281%0.813SS**  trans-80.2152.4160.900000110.5
14P41.5Very low41Very low133 Ų133138.3 Ų138.386%0.86480%0.799SS**  trans-84159.6-161.224.1-14000114.2
15A45.9Very low40.6Very low99 Ų99136.6 Ų136.682%0.81880%0.798SS**  trans-29.2139-179.500000118.4S17A15-S17 PolarHBondContact O-N 3.12Å
16D41.1Very low40.3Very low173 Ų173133.5 Ų133.593%0.92580%0.795SS**  trans-48114.3177.6-70.4-47.8000114.4
17S46.8Very low40.5Very low112 Ų112134.9 Ų134.978%0.78380%0.797SS**  trans-102.7115.6149.955.80000107.9A15 W19A15-S17 PolarHBondContact O-N 3.12Å; S17-W19 PolarHBondContact O-N 2.81Å
18G33.7Very low41.2Very low83 Ų83132.1 Ų132.186%0.85678%0.784SS**  trans-63107.6-173.200000112.5
19W35Very low42.1Very low237 Ų237126.9 Ų126.990%0.89876%0.761SS**  trans-115.694.6164.2-140.460.3000107.8S17S17-W19 PolarHBondContact O-N 2.81Å
20M38.5Very low43.1Very low172 Ų172126.2 Ų126.285%0.84775%0.75SS**  trans-73.9122.7166.2-74.2-171.4119.500107.8Q22M20-Q22 PolarHBondContact O-N 3.41Å
21P46Very low44.5Very low116 Ų116122.9 Ų122.975%0.75374%0.744SS**  trans-67.2109.1166.516.8-9.7000107A23P21-A23 PolarHBondContact O-N 2.62Å; P21-A23 VanDerWaalsContact O-N 3.1Å
22Q37.8Very low46.2Very low188 Ų188122.8 Ų122.888%0.87974%0.739SS**  trans-61.2112.5164.3-78.4-178.3-9.900107.3M20 A24M20-Q22 PolarHBondContact O-N 3.41Å; Q22-A24 PolarHBondContact O-N 2.99Å
23A42.2Very low48.5Very low98 Ų98114.8 Ų114.881%0.8173%0.725SS**  trans-63105.4165.600000107.4P21P21-A23 PolarHBondContact O-N 2.62Å; P21-A23 VanDerWaalsContact O-N 3.1Å
24A38.2Very low51.3Low76 Ų76114.3 Ų114.363%0.62871%0.711SS**  trans-56.1140.3163.200000107.7Q22 C26Q22-A24 PolarHBondContact O-N 2.99Å; A24-C26 VanDerWaalsContact C-N 3.28Å; A24-C26 PolarHBondContact O-N 3.23Å
25P36.4Very low53.9Low126 Ų126110.7 Ų110.782%0.81869%0.692SS**  trans-64.895.7174.527.1-31.2000107.5L27P25-L27 PolarHBondContact O-N 3.12Å; P25-L27 VanDerWaalsContact O-N 3.12Å
26C42.6Very low56.4Low115 Ų115108.9 Ų108.978%0.77768%0.677SS**  trans-58.3118.6162.7-71.70000105.5A24 S28A24-C26 VanDerWaalsContact C-N 3.28Å; A24-C26 PolarHBondContact O-N 3.23Å; C26-S28 PolarHBondContact O-N 2.9Å
27L49.9Very low59.1Low153 Ų153101.8 Ų101.880%0.80164%0.639SS**  trans-60.183.3167.3-75.7159000107.5P25 G29 A30P25-L27 PolarHBondContact O-N 3.12Å; P25-L27 VanDerWaalsContact O-N 3.12Å; L27-G29 PolarHBondContact O-N 3.45Å; L27-A30 HydrophobicContact CB-CB 4.07Å; L27-A30 PolarHBondContact O-N 2.62Å
28S54Low61.6Low67 Ų6796.5 Ų96.547%0.46960%0.602SS.*THydrogen-bonded Turntrans-58.4111.9178.950.40000107.5C26C26-S28 PolarHBondContact O-N 2.9Å
29G60.4Low64.7Low21 Ų2192.6 Ų92.622%0.21656%0.562CS.*THydrogen-bonded Turntrans94.112.517800000117.5L27 R400 Y402L27-G29 PolarHBondContact O-N 3.45Å; G29-R400 PolarHBondContact O-NH1 2.66Å; G29-R400 PolarHBondContact O-NH2 3.4Å; G29-Y402 WeakPolarHBondContact CA-OH 3.42Å; G29-Y402 PolarHBondContact O-OH 3.03Å
30A62.3Low67.7Low46 Ų4681.4 Ų81.438%0.3852%0.519SS..  trans-53.9134.7172.400000111.7L27 Q32L27-A30 HydrophobicContact CB-CB 4.07Å; L27-A30 PolarHBondContact O-N 2.62Å; A30-Q32 PolarHBondContact O-N 2.92Å
31P67.1Low70.6Confident104 Ų10473.2 Ų73.268%0.67548%0.479SS*.  trans-59.7120.6178.7-20.230.8000111.1
32Q73.2Confident73.1Confident145 Ų14569.4 Ų69.468%0.67845%0.451SS*.  trans-118.8114.9167.2-69.4-178-1.800107.5A30 R305A30-Q32 PolarHBondContact O-N 2.92Å; Q32-R305 PolarHBondContact O-NH1 2.9Å; Q32-R305 PolarHBondContact O-NH2 2.69Å
33A87.8Confident76Confident76 Ų7660.5 Ų60.563%0.62841%0.41SS*.  trans-117.277.6174.900000108.4
34S95.9Very high78.7Confident60 Ų6057.2 Ų57.242%0.4238%0.377SS..  trans-80.1140.4178.7178.20000110.2A36 D37 R290S34-A36 PolarHBondContact O-N 2.84Å; S34-A36 VanDerWaalsContact O-N 3.1Å; S34-A36 PolarHBondContact OG-N 2.85Å; S34-D37 PolarHBondContact N-OD2 3.12Å; S34-D37 WeakPolarHBondContact O-CB 3.27Å; S34-D37 PolarHBondContact O-N 3.5Å; S34-R290 WeakPolarHBondContact O-CD 3.06Å; S34-R290 PolarHBondContact O-NE 3.44Å
35A97.5Very high81.6Confident57 Ų5753.7 Ų53.747%0.47135%0.347SS..THydrogen-bonded Turntrans-55.9-24.6170.900000112.8R289 S291A35-R289 WeakPolarHBondContact O-CG 3.31Å; A35-S291 PolarHBondContact O-N 2.76Å; A35-S291 PolarHBondContact O-OG 3Å
36A97.8Very high84.6Confident62 Ų6247.7 Ų47.751%0.51231%0.308SS..THydrogen-bonded Turntrans-89.1-0177.100000114.1S34S34-A36 PolarHBondContact O-N 2.84Å; S34-A36 VanDerWaalsContact O-N 3.1Å; S34-A36 PolarHBondContact OG-N 2.85Å
37D98.3Very high87.3Confident24 Ų2442.2 Ų42.213%0.12827%0.271CS..  trans-57142.1176.2-76.5-20.5000110.6S34 V39 R289 R290 V303 R305S34-D37 PolarHBondContact N-OD2 3.12Å; S34-D37 WeakPolarHBondContact O-CB 3.27Å; S34-D37 PolarHBondContact O-N 3.5Å; D37-V39 HydrophobicContact CB-CG1 4.4Å; D37-R289 CarbonylContact O-C 3.46Å; D37-R290 HydrophobicContact CB-CB 4.09Å; D37-R290 PolarHBondContact O-N 2.66Å; D37-R290 IonicContact OD2-CZ 3.72Å; D37-R290 IonicContact OD2-NE 3.51Å; D37-R290 PolarHBondContact OD2-NE 3.17Å; D37-R290 IonicContact OD2-NH2 2.62Å; D37-R290 PolarHBondContact OD2-NH2 2.92Å; D37-V303 HydrophobicContact CB-CG1 3.91Å; D37-R305 IonicContact OD1-NH1 2.7Å; D37-R305 PolarHBondContact OD1-NH1 3.05Å; D37-R305 VanDerWaalsContact OD1-NH1 3.1Å; D37-R305 IonicContact OD2-CZ 3.59Å; D37-R305 IonicContact OD2-NH1 3.44Å; D37-R305 PolarHBondContact OD2-NH1 2.93Å; D37-R305 IonicContact OD2-NH2 2.81Å
38V98.8Very high89.6Confident1 Ų135 Ų351%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-87.4112168.5-179.30000108A134 I137 R138 L287 L304V38-A134 HydrophobicContact CB-CB 4.41Å; V38-A134 HydrophobicContact CG1-CB 3.88Å; V38-A134 HydrophobicContact CG2-CB 4.25Å; V38-I137 HydrophobicContact CG1-CD1 3.99Å; V38-I137 HydrophobicContact CG2-CB 4.18Å; V38-I137 HydrophobicContact CG2-CG2 3.95Å; V38-R138 HydrophobicContact CG2-CG 4.02Å; V38-L287 HydrophobicContact CG1-CB 4.3Å; V38-L287 HydrophobicContact CG1-CD2 3.82Å; V38-L304 PolarHBondContact O-N 3.23Å
39V98.8Very high91.8Very high0 Ų031.8 Ų31.80%021%0.211CC..EExtended strand (participates in β ladder)trans-101.2144.4-179.1-60.90000110.6D37 V41 L287 A288 R290 A293 I300 G302 V303D37-V39 HydrophobicContact CB-CG1 4.4Å; V39-V41 HydrophobicContact CG2-CG2 4.42Å; V39-L287 VanDerWaalsContact O-CA 3.25Å; V39-L287 WeakPolarHBondContact O-CA 3.45Å; V39-A288 HydrophobicContact CG2-CB 4.25Å; V39-A288 WeakPolarHBondContact CG2-O 3.36Å; V39-A288 PolarHBondContact N-O 2.97Å; V39-A288 PolarHBondContact O-N 3.1Å; V39-R290 HydrophobicContact CG1-CB 3.85Å; V39-R290 HydrophobicContact CG1-CG 4.31Å; V39-A293 HydrophobicContact CG2-CB 3.8Å; V39-I300 HydrophobicContact CB-CG1 4.21Å; V39-I300 HydrophobicContact CB-CG2 4.09Å; V39-I300 HydrophobicContact CG1-CD1 4.16Å; V39-I300 HydrophobicContact CG1-CG1 4.28Å; V39-I300 HydrophobicContact CG1-CG2 4.08Å; V39-I300 HydrophobicContact CG2-CG1 4.21Å; V39-G302 CarbonylContact C-O 3.58Å; V39-G302 WeakPolarHBondContact CA-O 3.22Å; V39-V303 HydrophobicContact CG1-CG1 4.41Å; V39-V303 HydrophobicContact CG1-CG2 4.29Å
40V98.9Very high93.6Very high2 Ų233.2 Ų33.21%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-88116.6165.6177.80000106.9I285 L287 L301 G302 L391 F419V40-I285 HydrophobicContact CG1-CG2 3.59Å; V40-I285 HydrophobicContact CG2-CG2 4.33Å; V40-L287 HydrophobicContact CG2-CD2 4.1Å; V40-L287 HydrophobicContact CG2-CG 4.47Å; V40-L301 HydrophobicContact CG1-CB 4.5Å; V40-L301 HydrophobicContact CG1-CD2 4.45Å; V40-L301 WeakPolarHBondContact O-CA 3.26Å; V40-L301 WeakPolarHBondContact O-CB 3.39Å; V40-L301 PolarHBondContact O-N 2.83Å; V40-G302 PolarHBondContact N-O 2.86Å; V40-G302 PolarHBondContact O-N 3.27Å; V40-L391 HydrophobicContact CB-CD1 3.83Å; V40-L391 HydrophobicContact CG1-CD1 3.67Å; V40-L391 HydrophobicContact CG2-CD1 4.02Å; V40-F419 HydrophobicContact CG2-CD1 4.27Å; V40-F419 HydrophobicContact CG2-CE1 3.98Å
41V98.9Very high95.3Very high1 Ų132.1 Ų32.11%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-79.6-53.8-179.5172.30000109.8V39 V76 L286 A288 A293 L298 P299 L301V39-V41 HydrophobicContact CG2-CG2 4.42Å; V41-V76 HydrophobicContact CG1-CG1 3.99Å; V41-L286 HydrophobicContact CB-CB 4.32Å; V41-L286 HydrophobicContact CB-CD2 4.13Å; V41-L286 HydrophobicContact CB-CG 4.32Å; V41-L286 HydrophobicContact CG1-CD2 4.01Å; V41-L286 PolarHBondContact N-O 2.89Å; V41-A288 HydrophobicContact CG2-CB 3.92Å; V41-A293 HydrophobicContact CG2-CB 4.32Å; V41-L298 HydrophobicContact CG1-CB 3.84Å; V41-L298 HydrophobicContact CG1-CD1 4.39Å; V41-L298 HydrophobicContact CG1-CD2 4.33Å; V41-L298 HydrophobicContact CG1-CG 4.42Å; V41-L298 HydrophobicContact CG2-CB 4.31Å; V41-L298 HydrophobicContact CG2-CD1 4.34Å; V41-P299 VanDerWaalsContact CA-O 3.27Å; V41-P299 WeakPolarHBondContact CA-O 3.24Å; V41-P299 HydrophobicContact CG1-CG 4.07Å; V41-P299 WeakPolarHBondContact CG1-O 3.17Å; V41-L301 WeakPolarHBondContact O-CB 3.44Å
42H98.8Very high96.6Very high36 Ų3629.9 Ų29.917%0.16720%0.196CC..EExtended strand (participates in β ladder)trans-161165.8-176-171.943.4000110.8D75 V76 L286H42-D75 IonicContact CD2-OD2 2.96Å; H42-D75 IonicContact CE1-OD2 2.72Å; H42-D75 WeakPolarHBondContact NE2-CB 3.21Å; H42-D75 IonicContact NE2-OD2 3.25Å; H42-D75 PolarHBondContact NE2-OD2 3.1Å; H42-V76 HydrophobicContact CB-CG1 3.54Å; H42-L286 PolarHBondContact O-N 3.36Å
43G98.9Very high97.7Very high1 Ų131.1 Ų31.11%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-162.2147.5172.200000113.2A284G43-A284 CarbonylContact C-O 3.6Å; G43-A284 WeakPolarHBondContact CA-O 3.44Å
44R98.9Very high98.2Very high29 Ų2927.9 Ų27.911%0.10917%0.168CC..EExtended strand (participates in β ladder)trans-132.8150.7178.5-60.2-63.8-65.5-79.28.6110.2A71 V72 D75 A221 E222 I223 A283 A284 I388R44-A71 HydrophobicContact CB-CB 4.24Å; R44-A71 HydrophobicContact CG-CB 4.07Å; R44-V72 HydrophobicContact CB-CG2 3.84Å; R44-V72 HydrophobicContact CG-CG2 3.85Å; R44-D75 VanDerWaalsContact CD-OD2 3.26Å; R44-D75 WeakPolarHBondContact CD-OD2 3.49Å; R44-D75 WeakPolarHBondContact CG-OD2 3.41Å; R44-D75 IonicContact CZ-OD2 3.33Å; R44-D75 IonicContact NE-OD2 3.22Å; R44-D75 VanDerWaalsContact NH1-CG 3.34Å; R44-D75 IonicContact NH1-OD1 3.1Å; R44-D75 PolarHBondContact NH1-OD1 3.1Å; R44-D75 IonicContact NH1-OD2 3.08Å; R44-D75 PolarHBondContact NH1-OD2 3.16Å; R44-A221 PolarHBondContact NE-O 3.1Å; R44-E222 WeakPolarHBondContact CA-O 3.34Å; R44-E222 PolarHBondContact NE-O 3.11Å; R44-I223 PolarHBondContact NH2-O 3.47Å; R44-A283 CarbonylContact O-C 3.59Å; R44-A283 WeakPolarHBondContact O-CA 3.44Å; R44-A284 PolarHBondContact N-O 3.33Å; R44-A284 PolarHBondContact O-N 2.55Å; R44-I388 VanDerWaalsContact O-CD1 3.27Å; R44-I388 WeakPolarHBondContact O-CD1 3.41Å
45R98.9Very high98.3Very high1 Ų125.3 Ų25.30%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-129.8156.6174.263.5173-172.893.4-12.2110.4E222 I223 V224 D245 A282 A283 I388R45-E222 HydrophobicContact CG-CB 4.32Å; R45-E222 HydrophobicContact CG-CG 4.48Å; R45-E222 WeakPolarHBondContact CG-O 3.49Å; R45-E222 IonicContact CZ-OE1 3.79Å; R45-E222 PolarHBondContact N-O 3.44Å; R45-E222 IonicContact NE-OE1 3.6Å; R45-E222 PolarHBondContact NE-OE1 3.01Å; R45-E222 IonicContact NH2-OE1 3.83Å; R45-E222 PolarHBondContact NH2-OE1 2.95Å; R45-E222 VanDerWaalsContact NH2-OE1 3.08Å; R45-I223 HydrophobicContact CG-CG1 4.33Å; R45-I223 VanDerWaalsContact CZ-CG1 3.43Å; R45-I223 CarbonylContact O-C 3.59Å; R45-I223 VanDerWaalsContact O-CA 3.24Å; R45-I223 WeakPolarHBondContact O-CA 3.44Å; R45-V224 PolarHBondContact O-N 3.41Å; R45-D245 IonicContact CZ-OD1 3.61Å; R45-D245 IonicContact CZ-OD2 2.75Å; R45-D245 IonicContact NH1-OD1 3.16Å; R45-D245 PolarHBondContact NH1-OD1 3.1Å; R45-D245 IonicContact NH1-OD2 3.29Å; R45-D245 PolarHBondContact NH1-OD2 3.17Å; R45-D245 IonicContact NH2-OD1 3.51Å; R45-D245 IonicContact NH2-OD2 2.65Å; R45-D245 PolarHBondContact NH2-OD2 3.22Å; R45-A282 CarbonylContact C-O 3.41Å; R45-A282 VanDerWaalsContact CA-O 3.3Å; R45-A282 WeakPolarHBondContact CA-O 3.28Å; R45-A283 HydrophobicContact CB-CB 3.95Å; R45-I388 HydrophobicContact CB-CD1 4.24Å
46T98.9Very high98.3Very high0 Ų022.6 Ų22.60%013%0.129CC..EExtended strand (participates in β ladder)trans-68.8165.2161.865.80000109.1V68 V226 G281 A282T46-V68 HydrophobicContact CG2-CG1 3.73Å; T46-V226 HydrophobicContact CG2-CG2 3.65Å; T46-G281 VanDerWaalsContact OG1-CA 3.32Å; T46-G281 WeakPolarHBondContact OG1-CA 3.29Å; T46-A282 HydrophobicContact CG2-CB 4.1Å; T46-A282 PolarHBondContact N-O 3.16Å; T46-A282 PolarHBondContact OG1-N 3.11Å; T46-A282 PolarHBondContact OG1-O 2.82Å
47A98.9Very high98.3Very high0 Ų022 Ų220%012%0.115CC..  trans-56159.5152.200000109.9F56 I223 V242 Q244 D245A47-F56 VanDerWaalsContact O-CE2 3.27Å; A47-F56 WeakPolarHBondContact O-CE2 3.3Å; A47-I223 HydrophobicContact CB-CD1 4.42Å; A47-I223 HydrophobicContact CB-CG2 4.33Å; A47-V242 HydrophobicContact CB-CG1 3.76Å; A47-Q244 WeakPolarHBondContact CB-O 3.49Å; A47-D245 WeakPolarHBondContact CA-OD1 3.44Å
48I98.9Very high98.3Very high1 Ų123.4 Ų23.41%0.00512%0.123CC..  trans-104.8121.5174-58.6177.3000108.7D245 E246 S279 L375 P378 R385I48-D245 PolarHBondContact N-OD1 2.85Å; I48-E246 PolarHBondContact O-N 3.5Å; I48-S279 VanDerWaalsContact CG2-CB 3.47Å; I48-L375 WeakPolarHBondContact CB-O 3.21Å; I48-L375 HydrophobicContact CD1-CB 4.4Å; I48-L375 WeakPolarHBondContact CG2-O 3.43Å; I48-P378 HydrophobicContact CD1-CG 4.22Å; I48-P378 HydrophobicContact CG1-CG 4.37Å; I48-P378 HydrophobicContact CG2-CG 4.14Å; I48-R385 HydrophobicContact CD1-CG 4.18Å
49C98.8Very high98.3Very high0 Ų023.5 Ų23.50%012%0.123CC..EExtended strand (participates in β ladder)trans-101.6155.8179.4-69.90000111.1F56 E246 S279 D280C49-F56 HydrophobicContact CB-CB 3.91Å; C49-F56 HydrophobicContact CB-CD2 3.71Å; C49-F56 HydrophobicContact CB-CE2 4.48Å; C49-F56 HydrophobicContact CB-CG 3.89Å; C49-F56 WeakPolarHBondContact SG-CD2 3.34Å; C49-E246 WeakPolarHBondContact CA-OE2 3.47Å; C49-E246 HydrophobicContact CB-CG 4.38Å; C49-E246 VanDerWaalsContact CB-OE2 3.27Å; C49-E246 WeakPolarHBondContact CB-OE2 3.25Å; C49-E246 PolarHBondContact SG-OE1 3.46Å; C49-E246 VanDerWaalsContact SG-OE1 3.33Å; C49-S279 CarbonylContact O-C 3.59Å; C49-S279 WeakPolarHBondContact O-CA 3.43Å; C49-S279 WeakPolarHBondContact O-CB 3.2Å; C49-S279 PolarHBondContact O-OG 3.43Å; C49-D280 PolarHBondContact N-O 2.75Å; C49-D280 VanDerWaalsContact N-O 3.1Å; C49-D280 PolarHBondContact O-N 3.44Å
50R98.5Very high98.3Very high52 Ų5226.2 Ų26.220%0.19614%0.14CC..EExtended strand (participates in β ladder)trans-78.9131.1176.4-59.5-175.774.3164.412110R53 G54 E246 Q277R50-R53 HydrophobicContact CB-CG 4.35Å; R50-G54 WeakPolarHBondContact O-CA 3.43Å; R50-G54 PolarHBondContact O-N 3.08Å; R50-E246 HydrophobicContact CG-CB 4.37Å; R50-E246 PolarHBondContact N-OE2 3.18Å; R50-E246 VanDerWaalsContact N-OE2 3.14Å; R50-Q277 VanDerWaalsContact CZ-OE1 3.32Å
51A98Very high98.3Very high22 Ų2226.5 Ų26.518%0.18214%0.142CC..THydrogen-bonded Turntrans-61.4144.5-179.300000112.4R53 M153 S154 V278A51-R53 PolarHBondContact O-N 2.96Å; A51-R53 VanDerWaalsContact O-N 3.09Å; A51-M153 HydrophobicContact CB-CB 4.08Å; A51-S154 VanDerWaalsContact CA-OG 3.26Å; A51-S154 WeakPolarHBondContact CA-OG 3.37Å; A51-V278 HydrophobicContact CB-CB 4.14Å; A51-V278 HydrophobicContact CB-CG1 3.54Å; A51-V278 WeakPolarHBondContact CB-O 3.39Å; A51-V278 PolarHBondContact N-O 2.85Å
52G95.9Very high98.3Very high57 Ų5727.8 Ų27.859%0.58815%0.149SC*.THydrogen-bonded Turntrans75.1-18.7176.100000116S154G52-S154 PolarHBondContact N-OG 2.89Å
53R95.7Very high98.3Very high172 Ų17230.7 Ų30.765%0.64916%0.163SC*.THydrogen-bonded Turntrans-140.2-6.3-176.463.4172.8170.6-172.8-10.6115.5R50 A51R50-R53 HydrophobicContact CB-CG 4.35Å; A51-R53 PolarHBondContact O-N 2.96Å; A51-R53 VanDerWaalsContact O-N 3.09Å
54G97.4Very high98.3Very high7 Ų730.7 Ų30.77%0.07216%0.162CC..SBendtrans-83.5178.2179.400000113.2R50 F56 K57 E246R50-G54 WeakPolarHBondContact O-CA 3.43Å; R50-G54 PolarHBondContact O-N 3.08Å; G54-F56 PolarHBondContact O-N 2.95Å; G54-F56 VanDerWaalsContact O-N 3.16Å; G54-K57 WeakPolarHBondContact O-CB 3.5Å; G54-K57 VanDerWaalsContact O-CG 3.3Å; G54-K57 WeakPolarHBondContact O-CG 3.41Å; G54-K57 PolarHBondContact O-N 3.34Å; G54-K57 VanDerWaalsContact O-N 3.11Å; G54-E246 WeakPolarHBondContact CA-OE2 3.22Å
55G98.1Very high98.3Very high7 Ų729.3 Ų29.37%0.07216%0.157CC..THydrogen-bonded Turntrans-63.4-16.9-179.200000114.5V230 E246G55-V230 WeakPolarHBondContact O-CG1 3.24Å; G55-E246 WeakPolarHBondContact CA-OE1 3.39Å; G55-E246 PolarHBondContact N-OE1 3.16Å; G55-E246 PolarHBondContact N-OE2 3Å
56F98.6Very high98.3Very high0 Ų029.7 Ų29.70%016%0.16CC..THydrogen-bonded Turntrans-104.19.5176.1-61.6-25.2000114.6A47 C49 G54 D58 T59 L64 V226 T228 V242 D280A47-F56 VanDerWaalsContact O-CE2 3.27Å; A47-F56 WeakPolarHBondContact O-CE2 3.3Å; C49-F56 HydrophobicContact CB-CB 3.91Å; C49-F56 HydrophobicContact CB-CD2 3.71Å; C49-F56 HydrophobicContact CB-CE2 4.48Å; C49-F56 HydrophobicContact CB-CG 3.89Å; C49-F56 WeakPolarHBondContact SG-CD2 3.34Å; G54-F56 PolarHBondContact O-N 2.95Å; G54-F56 VanDerWaalsContact O-N 3.16Å; F56-D58 PolarHBondContact O-N 2.84Å; F56-D58 VanDerWaalsContact O-N 3.07Å; F56-T59 PolarHBondContact O-N 3.11Å; F56-L64 HydrophobicContact CB-CD2 4.38Å; F56-L64 HydrophobicContact CD1-CD2 3.87Å; F56-L64 HydrophobicContact CD2-CD1 4.27Å; F56-L64 HydrophobicContact CD2-CD2 3.64Å; F56-L64 HydrophobicContact CE1-CD2 3.96Å; F56-L64 HydrophobicContact CE2-CD2 3.72Å; F56-L64 HydrophobicContact CG-CD2 3.72Å; F56-L64 HydrophobicContact CZ-CD2 3.9Å; F56-V226 HydrophobicContact CE1-CB 3.76Å; F56-V226 HydrophobicContact CE1-CG1 3.83Å; F56-V226 HydrophobicContact CE1-CG2 4.37Å; F56-V226 HydrophobicContact CZ-CB 3.77Å; F56-V226 HydrophobicContact CZ-CG1 4.19Å; F56-V226 HydrophobicContact CZ-CG2 3.91Å; F56-T228 HydrophobicContact CD1-CG2 4.23Å; F56-T228 HydrophobicContact CE1-CG2 4.44Å; F56-V242 HydrophobicContact CD1-CG2 4.01Å; F56-V242 HydrophobicContact CE1-CB 3.63Å; F56-V242 HydrophobicContact CE1-CG1 4.1Å; F56-V242 HydrophobicContact CE1-CG2 3.53Å; F56-V242 HydrophobicContact CZ-CB 3.86Å; F56-V242 HydrophobicContact CZ-CG1 3.97Å; F56-V242 HydrophobicContact CZ-CG2 4.24Å; F56-D280 HydrophobicContact CB-CB 3.9Å; F56-D280 HydrophobicContact CD2-CB 4.39Å
57K97.8Very high98.3Very high49 Ų4931 Ų3121%0.21317%0.17CC..THydrogen-bonded Turntrans-57-28.3-177.671.3-179.1-175.765.70114.2G54 H231G54-K57 WeakPolarHBondContact O-CB 3.5Å; G54-K57 VanDerWaalsContact O-CG 3.3Å; G54-K57 WeakPolarHBondContact O-CG 3.41Å; G54-K57 PolarHBondContact O-N 3.34Å; G54-K57 VanDerWaalsContact O-N 3.11Å; K57-H231 PolarHBondContact NZ-O 2.97Å
58D97.8Very high98.3Very high53 Ų5331 Ų3128%0.28317%0.17SC..THydrogen-bonded Turntrans-110.85.2179.3-53.2-44.7000112.6F56 V230 H231F56-D58 PolarHBondContact O-N 2.84Å; F56-D58 VanDerWaalsContact O-N 3.07Å; D58-V230 VanDerWaalsContact OD2-CA 3.25Å; D58-V230 WeakPolarHBondContact OD2-CA 3.44Å; D58-H231 PolarHBondContact OD2-N 2.91Å; D58-H231 IonicContact OD2-ND1 3.04Å; D58-H231 PolarHBondContact OD2-ND1 3.25Å
59T98.5Very high98.3Very high3 Ų330.9 Ų30.92%0.01817%0.17CC..  trans-92.6124.7-179.8-49.60000109.5F56 E63 L64 L155 T228F56-T59 PolarHBondContact O-N 3.11Å; T59-E63 HydrophobicContact CG2-CB 3.84Å; T59-L64 HydrophobicContact CG2-CD2 3.64Å; T59-L64 HydrophobicContact CG2-CG 3.9Å; T59-L155 WeakPolarHBondContact O-CD1 3.48Å; T59-T228 WeakPolarHBondContact OG1-CB 3.34Å; T59-T228 WeakPolarHBondContact OG1-CG2 3.43Å; T59-T228 PolarHBondContact OG1-OG1 3.23Å
60T98.7Very high98.3Very high58 Ų5833.7 Ų33.736%0.35619%0.187SC..  trans-70149.6176.547.50000111.2D62 E63 L64 L155T60-D62 WeakPolarHBondContact CB-OD1 3.33Å; T60-D62 PolarHBondContact O-N 3.08Å; T60-D62 PolarHBondContact OG1-OD1 3.33Å; T60-E63 PolarHBondContact O-N 3.45Å; T60-L64 PolarHBondContact O-N 3Å; T60-L155 HydrophobicContact CG2-CD1 4.12Å
61P98.8Very high98.3Very high8 Ų831.6 Ų31.65%0.05218%0.181CC..Hα-helixtrans-64.7-22.6-177.524-33.9000114.1L65 M100 V150P61-L65 VanDerWaalsContact O-CB 3.27Å; P61-L65 WeakPolarHBondContact O-CB 3.4Å; P61-L65 PolarHBondContact O-N 3.37Å; P61-M100 HydrophobicContact CB-CE 4.06Å; P61-M100 HydrophobicContact CB-CG 4.37Å; P61-M100 HydrophobicContact CB-SD 3.91Å; P61-M100 HydrophobicContact CG-CE 4.28Å; P61-M100 HydrophobicContact CG-CG 3.82Å; P61-M100 HydrophobicContact CG-SD 4.05Å; P61-V150 HydrophobicContact CB-CG2 3.88Å; P61-V150 WeakPolarHBondContact O-CG2 3.49Å
62D98.8Very high98.3Very high28 Ų2830.6 Ų30.615%0.1517%0.172CC..Hα-helixtrans-67.4-41.4174.744.320.5000112.4T60 L65 S66 M100 I103 A104 L107T60-D62 WeakPolarHBondContact CB-OD1 3.33Å; T60-D62 PolarHBondContact O-N 3.08Å; T60-D62 PolarHBondContact OG1-OD1 3.33Å; D62-L65 PolarHBondContact O-N 3.38Å; D62-S66 VanDerWaalsContact O-CB 3.25Å; D62-S66 WeakPolarHBondContact O-CB 3.5Å; D62-S66 PolarHBondContact O-N 3.49Å; D62-M100 HydrophobicContact CB-CG 3.97Å; D62-M100 HydrophobicContact CB-SD 4.02Å; D62-M100 PolarHBondContact N-SD 2.66Å; D62-I103 HydrophobicContact CB-CG2 4.29Å; D62-A104 HydrophobicContact CB-CB 3.96Å; D62-A104 VanDerWaalsContact O-CB 3.27Å; D62-A104 WeakPolarHBondContact O-CB 3.14Å; D62-L107 HydrophobicContact CB-CD1 4.19Å
63E98.8Very high98.5Very high97 Ų9728.3 Ų28.345%0.45315%0.147SC..Hα-helixtrans-62.6-44.8173.1-69.3-73-172.200111.6T59 T60 L65 S66 A67T59-E63 HydrophobicContact CG2-CB 3.84Å; T60-E63 PolarHBondContact O-N 3.45Å; E63-L65 VanDerWaalsContact C-N 3.34Å; E63-L65 PolarHBondContact O-N 3.08Å; E63-S66 PolarHBondContact O-N 2.92Å; E63-A67 PolarHBondContact O-N 3.16Å
64L98.9Very high98.6Very high0 Ų028 Ų280%015%0.15CC..Hα-helixtrans-61.3-43.7176.9-62.8-179.6000111.6F56 T59 T60 V150 V226 D280 A282F56-L64 HydrophobicContact CB-CD2 4.38Å; F56-L64 HydrophobicContact CD1-CD2 3.87Å; F56-L64 HydrophobicContact CD2-CD1 4.27Å; F56-L64 HydrophobicContact CD2-CD2 3.64Å; F56-L64 HydrophobicContact CE1-CD2 3.96Å; F56-L64 HydrophobicContact CE2-CD2 3.72Å; F56-L64 HydrophobicContact CG-CD2 3.72Å; F56-L64 HydrophobicContact CZ-CD2 3.9Å; T59-L64 HydrophobicContact CG2-CD2 3.64Å; T59-L64 HydrophobicContact CG2-CG 3.9Å; T60-L64 PolarHBondContact O-N 3Å; L64-V150 HydrophobicContact CB-CG2 4.3Å; L64-V226 HydrophobicContact CD2-CG1 4.4Å; L64-D280 HydrophobicContact CD1-CB 4.35Å; L64-A282 HydrophobicContact CB-CB 4Å; L64-A282 WeakPolarHBondContact O-CB 3.47Å
65L99Very high98.7Very high0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-69.5-42.3179-179.760000111.5P61 D62 E63 A67 V68 M69 V88 M100 A101 A104 C148 V150P61-L65 VanDerWaalsContact O-CB 3.27Å; P61-L65 WeakPolarHBondContact O-CB 3.4Å; P61-L65 PolarHBondContact O-N 3.37Å; D62-L65 PolarHBondContact O-N 3.38Å; E63-L65 VanDerWaalsContact C-N 3.34Å; E63-L65 PolarHBondContact O-N 3.08Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 2.94Å; L65-V68 HydrophobicContact CD1-CG2 4.22Å; L65-V68 WeakPolarHBondContact O-CG2 3.21Å; L65-V68 PolarHBondContact O-N 3.23Å; L65-M69 HydrophobicContact CD1-CG 4.14Å; L65-M69 HydrophobicContact CD1-SD 4.2Å; L65-M69 HydrophobicContact CD2-CE 4.37Å; L65-M69 HydrophobicContact CG-CE 3.83Å; L65-M69 HydrophobicContact CG-CG 4.37Å; L65-M69 HydrophobicContact CG-SD 4.06Å; L65-M69 WeakPolarHBondContact O-CG 3.27Å; L65-M69 PolarHBondContact O-N 3.03Å; L65-M69 VanDerWaalsContact O-N 3.08Å; L65-V88 HydrophobicContact CD1-CG1 4.33Å; L65-V88 HydrophobicContact CD2-CG1 3.86Å; L65-V88 HydrophobicContact CD2-CG2 4.11Å; L65-M100 HydrophobicContact CD2-SD 4.5Å; L65-A101 HydrophobicContact CD2-CB 4.04Å; L65-A104 HydrophobicContact CB-CB 3.89Å; L65-A104 HydrophobicContact CD2-CB 3.73Å; L65-A104 HydrophobicContact CG-CB 3.88Å; L65-C148 HydrophobicContact CD1-CB 3.59Å; L65-V150 HydrophobicContact CB-CB 4.3Å; L65-V150 HydrophobicContact CB-CG1 4.35Å; L65-V150 HydrophobicContact CB-CG2 4.3Å; L65-V150 HydrophobicContact CD1-CB 4.45Å; L65-V150 HydrophobicContact CD2-CG1 4.13Å
66S98.9Very high98.7Very high10 Ų1032.1 Ų32.17%0.0717%0.169CC..Hα-helixtrans-58.2-44.3177.3179.90000111.4D62 E63 V68 M69 T70 L107 S108D62-S66 VanDerWaalsContact O-CB 3.25Å; D62-S66 WeakPolarHBondContact O-CB 3.5Å; D62-S66 PolarHBondContact O-N 3.49Å; E63-S66 PolarHBondContact O-N 2.92Å; S66-V68 VanDerWaalsContact C-N 3.3Å; S66-V68 PolarHBondContact O-N 2.8Å; S66-M69 PolarHBondContact O-N 3.22Å; S66-T70 WeakPolarHBondContact O-CB 3.47Å; S66-T70 PolarHBondContact O-N 3.23Å; S66-T70 PolarHBondContact O-OG1 3.18Å; S66-T70 VanDerWaalsContact O-OG1 3.12Å; S66-L107 PolarHBondContact OG-O 3.02Å; S66-S108 VanDerWaalsContact CA-OG 3.23Å; S66-S108 WeakPolarHBondContact CA-OG 3.49Å; S66-S108 WeakPolarHBondContact CB-OG 3.43Å; S66-S108 PolarHBondContact O-OG 3.02Å; S66-S108 VanDerWaalsContact O-OG 3.13Å; S66-S108 PolarHBondContact OG-N 3.01Å; S66-S108 PolarHBondContact OG-OG 2.81Å
67A98.9Very high98.7Very high26 Ų2639.2 Ų39.222%0.21521%0.207CC..Hα-helixtrans-55.9-42.1179.400000113.1E63 L65 A71 V226E63-A67 PolarHBondContact O-N 3.16Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 2.94Å; A67-A71 VanDerWaalsContact O-CB 3.25Å; A67-A71 WeakPolarHBondContact O-CB 3.5Å; A67-A71 PolarHBondContact O-N 3.25Å; A67-V226 HydrophobicContact CB-CG2 3.98Å
68V98.9Very high98.7Very high0 Ų037.4 Ų37.40%020%0.2CC..Hα-helixtrans-79-35.3-179.6-65.70000112.9T46 L65 S66 A71 V72 V224 A282 A284T46-V68 HydrophobicContact CG2-CG1 3.73Å; L65-V68 HydrophobicContact CD1-CG2 4.22Å; L65-V68 WeakPolarHBondContact O-CG2 3.21Å; L65-V68 PolarHBondContact O-N 3.23Å; S66-V68 VanDerWaalsContact C-N 3.3Å; S66-V68 PolarHBondContact O-N 2.8Å; V68-A71 PolarHBondContact O-N 3.05Å; V68-V72 WeakPolarHBondContact O-CG2 3.39Å; V68-V72 PolarHBondContact O-N 2.94Å; V68-V224 HydrophobicContact CG1-CG1 3.77Å; V68-A282 HydrophobicContact CG1-CB 4.37Å; V68-A282 HydrophobicContact CG2-CB 3.87Å; V68-A284 HydrophobicContact CB-CB 3.88Å; V68-A284 HydrophobicContact CG2-CB 3.75Å
69M98.9Very high98.7Very high0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-65.3-48.7176.9-67.4-169.8-59.200111L65 S66 A71 V72 L73 I86 A104 Q105 I110 M146L65-M69 HydrophobicContact CD1-CG 4.14Å; L65-M69 HydrophobicContact CD1-SD 4.2Å; L65-M69 HydrophobicContact CD2-CE 4.37Å; L65-M69 HydrophobicContact CG-CE 3.83Å; L65-M69 HydrophobicContact CG-CG 4.37Å; L65-M69 HydrophobicContact CG-SD 4.06Å; L65-M69 WeakPolarHBondContact O-CG 3.27Å; L65-M69 PolarHBondContact O-N 3.03Å; L65-M69 VanDerWaalsContact O-N 3.08Å; S66-M69 PolarHBondContact O-N 3.22Å; M69-A71 VanDerWaalsContact C-N 3.34Å; M69-A71 PolarHBondContact O-N 2.92Å; M69-V72 PolarHBondContact O-N 2.92Å; M69-L73 PolarHBondContact O-N 3.1Å; M69-I86 HydrophobicContact SD-CD1 4.47Å; M69-I86 HydrophobicContact SD-CG2 4.3Å; M69-A104 HydrophobicContact CE-CB 3.71Å; M69-A104 WeakPolarHBondContact CE-O 3.36Å; M69-Q105 HydrophobicContact CE-CB 4.45Å; M69-I110 HydrophobicContact CB-CD1 4.24Å; M69-I110 HydrophobicContact SD-CD1 4.46Å; M69-M146 HydrophobicContact CB-SD 3.92Å; M69-M146 HydrophobicContact CG-SD 3.61Å; M69-M146 HydrophobicContact SD-SD 4.35Å
70T98.9Very high98.7Very high58 Ų5843.1 Ų43.136%0.35622%0.222SC..Hα-helixtrans-56.7-46.7174.2-63.50000111.5S66 V72 L73 K74 S108S66-T70 WeakPolarHBondContact O-CB 3.47Å; S66-T70 PolarHBondContact O-N 3.23Å; S66-T70 PolarHBondContact O-OG1 3.18Å; S66-T70 VanDerWaalsContact O-OG1 3.12Å; T70-V72 PolarHBondContact O-N 2.88Å; T70-L73 PolarHBondContact O-N 3.27Å; T70-K74 VanDerWaalsContact O-CB 3.26Å; T70-K74 WeakPolarHBondContact O-CB 3.17Å; T70-K74 PolarHBondContact O-N 3.03Å; T70-S108 WeakPolarHBondContact OG1-CA 3.27Å; T70-S108 VanDerWaalsContact OG1-CB 3.23Å; T70-S108 WeakPolarHBondContact OG1-CB 3.25Å; T70-S108 PolarHBondContact OG1-OG 2.92Å
71A98.9Very high98.7Very high9 Ų945.1 Ų45.17%0.07423%0.227CC..Hα-helixtrans-62.8-44.9-177.900000112.5R44 A67 V68 M69 K74 D75 V224R44-A71 HydrophobicContact CB-CB 4.24Å; R44-A71 HydrophobicContact CG-CB 4.07Å; A67-A71 VanDerWaalsContact O-CB 3.25Å; A67-A71 WeakPolarHBondContact O-CB 3.5Å; A67-A71 PolarHBondContact O-N 3.25Å; V68-A71 PolarHBondContact O-N 3.05Å; M69-A71 VanDerWaalsContact C-N 3.34Å; M69-A71 PolarHBondContact O-N 2.92Å; A71-K74 PolarHBondContact O-N 3.24Å; A71-D75 WeakPolarHBondContact O-CB 3.42Å; A71-D75 PolarHBondContact O-N 3.35Å; A71-V224 HydrophobicContact CB-CB 4.02Å; A71-V224 HydrophobicContact CB-CG1 4.39Å; A71-V224 HydrophobicContact CB-CG2 3.74Å
72V98.9Very high98.7Very high0 Ų047 Ų470%024%0.235CC..Hα-helixtrans-61.6-48.1-180169.40000111.1R44 V68 M69 T70 D75 V76 M146 A284 L286R44-V72 HydrophobicContact CB-CG2 3.84Å; R44-V72 HydrophobicContact CG-CG2 3.85Å; V68-V72 WeakPolarHBondContact O-CG2 3.39Å; V68-V72 PolarHBondContact O-N 2.94Å; M69-V72 PolarHBondContact O-N 2.92Å; T70-V72 PolarHBondContact O-N 2.88Å; V72-D75 PolarHBondContact O-N 3.29Å; V72-V76 WeakPolarHBondContact O-CG2 3.38Å; V72-V76 PolarHBondContact O-N 3.05Å; V72-M146 HydrophobicContact CB-CE 4.38Å; V72-M146 HydrophobicContact CG1-CE 4.19Å; V72-A284 HydrophobicContact CG2-CB 3.95Å; V72-L286 HydrophobicContact CG1-CB 3.61Å; V72-L286 HydrophobicContact CG1-CD2 4.5Å
73L98.8Very high98.7Very high10 Ų1045.9 Ų45.95%0.05223%0.229CC..Hα-helixtrans-63.4-42.7179.5-68.8173.9000112M69 T70 N77 L78 P80 L83 I110 M146M69-L73 PolarHBondContact O-N 3.1Å; T70-L73 PolarHBondContact O-N 3.27Å; L73-N77 WeakPolarHBondContact O-CA 3.41Å; L73-N77 PolarHBondContact O-N 3.17Å; L73-L78 HydrophobicContact CD2-CB 4.11Å; L73-L78 HydrophobicContact CD2-CD2 3.92Å; L73-L78 HydrophobicContact CD2-CG 4.46Å; L73-L78 PolarHBondContact O-N 3.07Å; L73-L78 VanDerWaalsContact O-N 3.13Å; L73-P80 HydrophobicContact CD1-CB 4.21Å; L73-P80 HydrophobicContact CD1-CG 4.17Å; L73-L83 HydrophobicContact CD1-CD1 4.29Å; L73-L83 HydrophobicContact CD2-CD1 4.15Å; L73-L83 HydrophobicContact CD2-CD2 4.43Å; L73-L83 HydrophobicContact CD2-CG 4.35Å; L73-I110 HydrophobicContact CD1-CD1 3.74Å; L73-I110 HydrophobicContact CD1-CG1 3.77Å; L73-M146 HydrophobicContact CD1-CE 4.17Å; L73-M146 HydrophobicContact CD2-CE 3.84Å; L73-M146 HydrophobicContact CG-CE 3.69Å
74K98.6Very high98.7Very high166 Ų16642.4 Ų42.472%0.72222%0.22SC*.Hα-helixtrans-64.2-44179-174.3176-178.51760112.4T70 A71 V76 N77T70-K74 VanDerWaalsContact O-CB 3.26Å; T70-K74 WeakPolarHBondContact O-CB 3.17Å; T70-K74 PolarHBondContact O-N 3.03Å; A71-K74 PolarHBondContact O-N 3.24Å; K74-V76 VanDerWaalsContact C-N 3.27Å; K74-V76 PolarHBondContact O-N 3.42Å; K74-N77 PolarHBondContact O-N 3.32Å
75D98.7Very high98.7Very high78 Ų7843.7 Ų43.742%0.41723%0.227SC..Hα-helixtrans-63.2-32.8-177.3-74-13.6000112.8H42 R44 A71 V72H42-D75 IonicContact CD2-OD2 2.96Å; H42-D75 IonicContact CE1-OD2 2.72Å; H42-D75 WeakPolarHBondContact NE2-CB 3.21Å; H42-D75 IonicContact NE2-OD2 3.25Å; H42-D75 PolarHBondContact NE2-OD2 3.1Å; R44-D75 VanDerWaalsContact CD-OD2 3.26Å; R44-D75 WeakPolarHBondContact CD-OD2 3.49Å; R44-D75 WeakPolarHBondContact CG-OD2 3.41Å; R44-D75 IonicContact CZ-OD2 3.33Å; R44-D75 IonicContact NE-OD2 3.22Å; R44-D75 VanDerWaalsContact NH1-CG 3.34Å; R44-D75 IonicContact NH1-OD1 3.1Å; R44-D75 PolarHBondContact NH1-OD1 3.1Å; R44-D75 IonicContact NH1-OD2 3.08Å; R44-D75 PolarHBondContact NH1-OD2 3.16Å; A71-D75 WeakPolarHBondContact O-CB 3.42Å; A71-D75 PolarHBondContact O-N 3.35Å; V72-D75 PolarHBondContact O-N 3.29Å
76V98.5Very high98.7Very high21 Ų2143.7 Ų43.713%0.12723%0.227CC..THydrogen-bonded Turntrans-102.12.9178.9-56.50000113.5V41 H42 V72 K74 L78 L286 L298 P299V41-V76 HydrophobicContact CG1-CG1 3.99Å; H42-V76 HydrophobicContact CB-CG1 3.54Å; V72-V76 WeakPolarHBondContact O-CG2 3.38Å; V72-V76 PolarHBondContact O-N 3.05Å; K74-V76 VanDerWaalsContact C-N 3.27Å; K74-V76 PolarHBondContact O-N 3.42Å; V76-L78 HydrophobicContact CG2-CB 3.78Å; V76-L78 PolarHBondContact O-N 2.95Å; V76-L286 HydrophobicContact CG2-CD2 3.67Å; V76-L298 HydrophobicContact CB-CD2 3.99Å; V76-L298 HydrophobicContact CG2-CD2 4.24Å; V76-P299 HydrophobicContact CG1-CG 4.47Å
77N98.3Very high98.7Very high149 Ų14943.3 Ų43.380%0.79722%0.224SC*.THydrogen-bonded Turntrans50.440.7-177.9-165.341.1000113.5L73 K74L73-N77 WeakPolarHBondContact O-CA 3.41Å; L73-N77 PolarHBondContact O-N 3.17Å; K74-N77 PolarHBondContact O-N 3.32Å
78L98.5Very high98.7Very high12 Ų1242 Ų426%0.06321%0.213CC..  trans-87.7135.5178.2-169.979.5000109.6L73 V76 Q82 L83 I144 L286 L296 L298L73-L78 HydrophobicContact CD2-CB 4.11Å; L73-L78 HydrophobicContact CD2-CD2 3.92Å; L73-L78 HydrophobicContact CD2-CG 4.46Å; L73-L78 PolarHBondContact O-N 3.07Å; L73-L78 VanDerWaalsContact O-N 3.13Å; V76-L78 HydrophobicContact CG2-CB 3.78Å; V76-L78 PolarHBondContact O-N 2.95Å; L78-Q82 HydrophobicContact CD1-CB 4.29Å; L78-Q82 HydrophobicContact CD2-CB 4.45Å; L78-Q82 HydrophobicContact CG-CB 4.28Å; L78-L83 HydrophobicContact CD2-CD2 4.25Å; L78-I144 HydrophobicContact CD1-CD1 4.18Å; L78-I144 HydrophobicContact CD2-CG2 4.08Å; L78-L286 HydrophobicContact CD2-CD1 4.13Å; L78-L286 HydrophobicContact CD2-CD2 4.03Å; L78-L296 HydrophobicContact CD1-CD1 3.97Å; L78-L298 HydrophobicContact CD1-CD1 4.09Å; L78-L298 HydrophobicContact CD1-CD2 4.41Å
79R98.3Very high98.7Very high141 Ų14142 Ų4253%0.53221%0.213SC..  trans-71.6130.7173.3-61-168.9-59.2-80.5-2.1109.9E81 Q82R79-E81 VanDerWaalsContact C-N 3.26Å; R79-E81 VanDerWaalsContact CB-OE1 3.26Å; R79-E81 WeakPolarHBondContact CB-OE1 3.43Å; R79-E81 WeakPolarHBondContact CB-OE2 3.43Å; R79-E81 VanDerWaalsContact CD-OE1 3.22Å; R79-E81 WeakPolarHBondContact CD-OE1 3.42Å; R79-E81 IonicContact NE-OE1 3.83Å; R79-E81 PolarHBondContact NE-OE1 3.22Å; R79-E81 PolarHBondContact O-N 3.42Å; R79-E81 VanDerWaalsContact O-N 3.17Å; R79-Q82 HydrophobicContact CB-CG 4.17Å; R79-Q82 WeakPolarHBondContact O-CB 3.48Å; R79-Q82 PolarHBondContact O-N 3.45Å
80P98.7Very high98.7Very high35 Ų3542 Ų4223%0.22721%0.213CC..G310 helixtrans-54.1-37.8-173.9-29.435.8000114.7L73 Q82 L83 I110 V114L73-P80 HydrophobicContact CD1-CB 4.21Å; L73-P80 HydrophobicContact CD1-CG 4.17Å; P80-Q82 PolarHBondContact O-N 3.25Å; P80-Q82 VanDerWaalsContact O-N 3.1Å; P80-L83 WeakPolarHBondContact O-CB 3.46Å; P80-L83 WeakPolarHBondContact O-CG 3.47Å; P80-L83 PolarHBondContact O-N 3.3Å; P80-L83 VanDerWaalsContact O-N 3.11Å; P80-I110 HydrophobicContact CB-CB 4.27Å; P80-I110 HydrophobicContact CB-CG1 4.16Å; P80-I110 HydrophobicContact CB-CG2 4.14Å; P80-V114 WeakPolarHBondContact O-CG2 3.49Å
81E98.5Very high98.7Very high99 Ų9940 Ų4046%0.46320%0.201SC..G310 helixtrans-66.9-8.4-179.871.8-80-177.400114.4R79 L83 P111R79-E81 VanDerWaalsContact C-N 3.26Å; R79-E81 VanDerWaalsContact CB-OE1 3.26Å; R79-E81 WeakPolarHBondContact CB-OE1 3.43Å; R79-E81 WeakPolarHBondContact CB-OE2 3.43Å; R79-E81 VanDerWaalsContact CD-OE1 3.22Å; R79-E81 WeakPolarHBondContact CD-OE1 3.42Å; R79-E81 IonicContact NE-OE1 3.83Å; R79-E81 PolarHBondContact NE-OE1 3.22Å; R79-E81 PolarHBondContact O-N 3.42Å; R79-E81 VanDerWaalsContact O-N 3.17Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-P111 HydrophobicContact CB-CG 3.96Å
82Q98.6Very high98.6Very high47 Ų4741.5 Ų41.522%0.2221%0.207CC..G310 helixtrans-80.1-10.6173.4-60.7-175.3-66.800113L78 R79 P80 G84L78-Q82 HydrophobicContact CD1-CB 4.29Å; L78-Q82 HydrophobicContact CD2-CB 4.45Å; L78-Q82 HydrophobicContact CG-CB 4.28Å; R79-Q82 HydrophobicContact CB-CG 4.17Å; R79-Q82 WeakPolarHBondContact O-CB 3.48Å; R79-Q82 PolarHBondContact O-N 3.45Å; P80-Q82 PolarHBondContact O-N 3.25Å; P80-Q82 VanDerWaalsContact O-N 3.1Å; Q82-G84 PolarHBondContact O-N 3.34Å
83L98.9Very high98.5Very high6 Ų643.5 Ų43.53%0.03122%0.217CC..  trans-71.1125.7172-66.5174.7000110L73 L78 P80 E81 I86 I110 V114 I144 M146 L286L73-L83 HydrophobicContact CD1-CD1 4.29Å; L73-L83 HydrophobicContact CD2-CD1 4.15Å; L73-L83 HydrophobicContact CD2-CD2 4.43Å; L73-L83 HydrophobicContact CD2-CG 4.35Å; L78-L83 HydrophobicContact CD2-CD2 4.25Å; P80-L83 WeakPolarHBondContact O-CB 3.46Å; P80-L83 WeakPolarHBondContact O-CG 3.47Å; P80-L83 PolarHBondContact O-N 3.3Å; P80-L83 VanDerWaalsContact O-N 3.11Å; E81-L83 VanDerWaalsContact C-N 3.28Å; L83-I86 HydrophobicContact CD1-CD1 4.16Å; L83-I86 HydrophobicContact CD1-CG1 4.21Å; L83-I110 HydrophobicContact CD1-CD1 4.32Å; L83-I110 HydrophobicContact CD1-CG2 4.35Å; L83-V114 HydrophobicContact CB-CG1 3.64Å; L83-V114 HydrophobicContact CB-CG2 4.13Å; L83-V114 HydrophobicContact CD1-CG1 4.36Å; L83-I144 HydrophobicContact CD2-CG2 4.09Å; L83-M146 HydrophobicContact CD1-CE 4.09Å; L83-M146 HydrophobicContact CD2-CB 4.15Å; L83-M146 HydrophobicContact CD2-CE 4.5Å; L83-L286 HydrophobicContact CD2-CD1 3.54Å
84G98.8Very high98.4Very high24 Ų2448.4 Ų48.425%0.24725%0.249CC..SBendtrans-87-21.9174.200000114.3Q82 P115 I144Q82-G84 PolarHBondContact O-N 3.34Å; G84-P115 VanDerWaalsContact O-CD 3.27Å; G84-P115 WeakPolarHBondContact O-CD 3.27Å; G84-P115 WeakPolarHBondContact O-CG 3.23Å; G84-I144 PolarHBondContact N-O 2.91Å
85D98.9Very high98.3Very high27 Ų2743.7 Ų43.714%0.14425%0.248CC..  trans-162.6155.6173.2-164.217.3000111.6P115 I133 Y142 G145 M146D85-P115 HydrophobicContact CB-CG 4.37Å; D85-I133 HydrophobicContact CB-CD1 4.08Å; D85-Y142 HydrophobicContact CB-CD1 4Å; D85-Y142 HydrophobicContact CB-CE1 3.4Å; D85-Y142 HydrophobicContact CB-CE2 4.24Å; D85-G145 VanDerWaalsContact O-CA 3.3Å; D85-G145 WeakPolarHBondContact O-CA 3.3Å; D85-M146 PolarHBondContact O-N 3.02Å
86I99Very high98.2Very high0 Ų040.8 Ų40.80%023%0.234CC..EExtended strand (participates in β ladder)trans-121.8122.5168.6-57.7176.9000108M69 L83 V88 Q105 I110 V114 P115 L116 S117 M146M69-I86 HydrophobicContact SD-CD1 4.47Å; M69-I86 HydrophobicContact SD-CG2 4.3Å; L83-I86 HydrophobicContact CD1-CD1 4.16Å; L83-I86 HydrophobicContact CD1-CG1 4.21Å; I86-V88 HydrophobicContact CG2-CG2 3.91Å; I86-Q105 HydrophobicContact CD1-CG 4.01Å; I86-I110 HydrophobicContact CD1-CD1 3.95Å; I86-I110 HydrophobicContact CD1-CG2 4.2Å; I86-V114 HydrophobicContact CD1-CG1 3.93Å; I86-V114 HydrophobicContact CG1-CG1 3.89Å; I86-P115 PolarHBondContact N-O 3.13Å; I86-P115 VanDerWaalsContact N-O 3.1Å; I86-L116 HydrophobicContact CB-CB 4.25Å; I86-L116 HydrophobicContact CB-CD1 3.99Å; I86-L116 HydrophobicContact CB-CG 4.06Å; I86-L116 HydrophobicContact CG2-CD1 3.76Å; I86-L116 HydrophobicContact CG2-CG 4.14Å; I86-L116 CarbonylContact O-C 3.49Å; I86-L116 VanDerWaalsContact O-CA 3.25Å; I86-L116 WeakPolarHBondContact O-CA 3.23Å; I86-S117 PolarHBondContact O-N 3.12Å; I86-M146 CarbonylContact C-O 3.58Å; I86-M146 WeakPolarHBondContact CA-O 3.25Å; I86-M146 HydrophobicContact CG1-CB 4.26Å
87C98.9Very high98.2Very high1 Ų139.9 Ų39.91%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-116.2123.4176.1-166.70000109.9S117 V119 A129 I133 M146 C148C87-S117 WeakPolarHBondContact CA-O 3.38Å; C87-V119 VanDerWaalsContact SG-CG1 3.58Å; C87-A129 HydrophobicContact CB-CB 4.34Å; C87-A129 WeakPolarHBondContact O-CB 3.36Å; C87-I133 HydrophobicContact CB-CD1 3.67Å; C87-I133 HydrophobicContact CB-CG1 3.77Å; C87-M146 PolarHBondContact N-O 3.43Å; C87-C148 PolarHBondContact O-N 3.47Å
88V99Very high98.2Very high0 Ų034.9 Ų34.90%021%0.209CC..EExtended strand (participates in β ladder)trans-115.4121.3-174.6-171.90000111.5L65 I86 A101 L116 S117 T118 V119 C148 V150L65-V88 HydrophobicContact CD1-CG1 4.33Å; L65-V88 HydrophobicContact CD2-CG1 3.86Å; L65-V88 HydrophobicContact CD2-CG2 4.11Å; I86-V88 HydrophobicContact CG2-CG2 3.91Å; V88-A101 HydrophobicContact CB-CB 4.2Å; V88-A101 HydrophobicContact CG1-CB 4.4Å; V88-A101 HydrophobicContact CG2-CB 3.94Å; V88-L116 HydrophobicContact CG2-CD1 4.21Å; V88-L116 HydrophobicContact CG2-CG 4.43Å; V88-S117 PolarHBondContact N-O 2.95Å; V88-T118 HydrophobicContact CB-CG2 4.24Å; V88-T118 CarbonylContact O-C 3.5Å; V88-T118 WeakPolarHBondContact O-CA 3.5Å; V88-V119 PolarHBondContact O-N 3.24Å; V88-C148 HydrophobicContact CB-CB 4.41Å; V88-C148 HydrophobicContact CG1-CB 4.18Å; V88-C148 HydrophobicContact CG2-CB 4.07Å; V88-V150 HydrophobicContact CG1-CG1 3.86Å
89G98.9Very high98.2Very high0 Ų040.8 Ų40.80%024%0.239CC..EExtended strand (participates in β ladder)trans-79.4117.1170.800000112.1V119 C148 G149 V150 G380G89-V119 WeakPolarHBondContact CA-O 3.36Å; G89-C148 PolarHBondContact N-O 3.37Å; G89-G149 CarbonylContact O-C 3.46Å; G89-G149 VanDerWaalsContact O-CA 3.25Å; G89-G149 WeakPolarHBondContact O-CA 3.41Å; G89-V150 PolarHBondContact O-N 3.35Å; G89-G380 CarbonylContact O-C 3.54Å
90N98.8Very high98.3Very high0 Ų034.9 Ų34.90%022%0.218CC..  trans-145.2147.6173177.8-88.8000110.4L92 Q93 A96 V119 N120 V150 E151N90-L92 PolarHBondContact OD1-N 3.14Å; N90-Q93 WeakPolarHBondContact OD1-CB 3.21Å; N90-Q93 PolarHBondContact OD1-N 3.12Å; N90-A96 WeakPolarHBondContact CB-O 3.43Å; N90-V119 PolarHBondContact N-O 3.26Å; N90-N120 WeakPolarHBondContact O-CB 3.11Å; N90-V150 PolarHBondContact ND2-O 3.08Å; N90-E151 PolarHBondContact ND2-OE1 3.04Å
91V98.2Very high98.3Very high15 Ų1533.2 Ų33.29%0.09121%0.207CC..SBendtrans-108.9-48.8-176.3-174.90000112.6N120 Q122 E151 L379V91-N120 PolarHBondContact O-ND2 3.14Å; V91-Q122 WeakPolarHBondContact CG2-O 3.46Å; V91-E151 VanDerWaalsContact CB-OE2 3.31Å; V91-E151 WeakPolarHBondContact CB-OE2 3.38Å; V91-E151 PolarHBondContact N-OE2 3.02Å; V91-L379 HydrophobicContact CB-CB 4.18Å; V91-L379 HydrophobicContact CB-CD1 4.16Å; V91-L379 HydrophobicContact CG1-CD1 4.16Å; V91-L379 HydrophobicContact CG2-CB 3.81Å
92L97.6Very high98.3Very high40 Ų4031.5 Ų31.521%0.20920%0.196CC..SBendtrans-97.2-16.4-162.1-59.2172.9000114.9N90 E151 M153 A156 R158 L379N90-L92 PolarHBondContact OD1-N 3.14Å; L92-E151 HydrophobicContact CD1-CG 4.22Å; L92-E151 PolarHBondContact N-OE1 3.24Å; L92-M153 HydrophobicContact CD1-CE 4.23Å; L92-M153 HydrophobicContact CD1-CG 3.97Å; L92-A156 HydrophobicContact CB-CB 3.43Å; L92-A156 VanDerWaalsContact CB-CB 3.43Å; L92-A156 HydrophobicContact CD1-CB 4.02Å; L92-A156 HydrophobicContact CG-CB 4.38Å; L92-R158 HydrophobicContact CD1-CG 3.88Å; L92-L379 HydrophobicContact CD1-CD1 4.01Å; L92-L379 HydrophobicContact CD2-CD1 4.14Å; L92-L379 HydrophobicContact CG-CD1 3.98Å
93Q97Very high98.3Very high43 Ų4332.8 Ų32.820%0.20120%0.204CC..SBendtrans-71.1146.8178.7-68.4-68.6-39.300110.8N90 G95 A96 M100N90-Q93 WeakPolarHBondContact OD1-CB 3.21Å; N90-Q93 PolarHBondContact OD1-N 3.12Å; Q93-G95 PolarHBondContact O-N 2.99Å; Q93-A96 WeakPolarHBondContact O-CA 3.44Å; Q93-A96 PolarHBondContact O-N 2.9Å; Q93-M100 HydrophobicContact CG-CE 4.33Å
94P95.7Very high98.3Very high113 Ų11332.5 Ų32.573%0.73420%0.202SC*.G310 helixtrans-51.5132.9170.7-26.134.9000111.5A96 G97P94-A96 PolarHBondContact O-N 3.13Å; P94-G97 PolarHBondContact O-N 3.24Å
95G96Very high98.3Very high67 Ų6731.4 Ų31.469%0.69119%0.191SC*.G310 helixtrans60.128.3-176.700000113.9Q93 G97Q93-G95 PolarHBondContact O-N 2.99Å; G95-G97 PolarHBondContact O-N 2.92Å; G95-G97 VanDerWaalsContact O-N 3.14Å
96A97.7Very high98.3Very high16 Ų1634.7 Ų34.713%0.13220%0.204CC..G310 helixtrans55.624.1-172.200000113.6N90 Q93 P94 T118 N120N90-A96 WeakPolarHBondContact CB-O 3.43Å; Q93-A96 WeakPolarHBondContact O-CA 3.44Å; Q93-A96 PolarHBondContact O-N 2.9Å; P94-A96 PolarHBondContact O-N 3.13Å; A96-T118 WeakPolarHBondContact O-CB 3.37Å; A96-T118 VanDerWaalsContact O-CG2 3.3Å; A96-T118 WeakPolarHBondContact O-CG2 3.38Å; A96-N120 HydrophobicContact CB-CB 4.06Å
97G98.2Very high98.3Very high3 Ų338.5 Ų38.53%0.03122%0.224CC..G310 helixtrans78.223.1171.800000115.6P94 G95 I99 M100 A101P94-G97 PolarHBondContact O-N 3.24Å; G95-G97 PolarHBondContact O-N 2.92Å; G95-G97 VanDerWaalsContact O-N 3.14Å; G97-I99 VanDerWaalsContact C-N 3.34Å; G97-I99 PolarHBondContact O-N 2.84Å; G97-M100 PolarHBondContact O-N 2.96Å; G97-A101 WeakPolarHBondContact O-CB 3.36Å; G97-A101 PolarHBondContact O-N 2.81Å
98A98.7Very high98.3Very high44 Ų4439 Ų3936%0.36423%0.227SC..Hα-helixtrans-55.1-44.6-17800000113.8R102 T118A98-R102 WeakPolarHBondContact O-CB 3.47Å; A98-R102 PolarHBondContact O-N 2.9Å; A98-R102 VanDerWaalsContact O-N 3.07Å; A98-T118 HydrophobicContact CB-CG2 4.13Å
99I98.7Very high98.3Very high136 Ų13645.8 Ų45.870%0.69726%0.263SS*.Hα-helixtrans-63.5-49.3176.8-62.7175.9000110.5G97 A101 R102 I103G97-I99 VanDerWaalsContact C-N 3.34Å; G97-I99 PolarHBondContact O-N 2.84Å; I99-A101 VanDerWaalsContact C-N 3.35Å; I99-A101 PolarHBondContact O-N 2.92Å; I99-R102 PolarHBondContact O-N 2.84Å; I99-I103 HydrophobicContact CG2-CD1 3.99Å; I99-I103 WeakPolarHBondContact O-CG1 3.28Å; I99-I103 PolarHBondContact O-N 2.84Å
100M98.7Very high98.3Very high17 Ų1745.8 Ų45.88%0.08426%0.264CS..Hα-helixtrans-58.5-44.7179.2175-76.2-6600111.9P61 D62 L65 Q93 G97 R102 I103 A104 V150P61-M100 HydrophobicContact CB-CE 4.06Å; P61-M100 HydrophobicContact CB-CG 4.37Å; P61-M100 HydrophobicContact CB-SD 3.91Å; P61-M100 HydrophobicContact CG-CE 4.28Å; P61-M100 HydrophobicContact CG-CG 3.82Å; P61-M100 HydrophobicContact CG-SD 4.05Å; D62-M100 HydrophobicContact CB-CG 3.97Å; D62-M100 HydrophobicContact CB-SD 4.02Å; D62-M100 PolarHBondContact N-SD 2.66Å; L65-M100 HydrophobicContact CD2-SD 4.5Å; Q93-M100 HydrophobicContact CG-CE 4.33Å; G97-M100 PolarHBondContact O-N 2.96Å; M100-R102 VanDerWaalsContact C-N 3.34Å; M100-R102 PolarHBondContact O-N 3.42Å; M100-I103 WeakPolarHBondContact O-CB 3.32Å; M100-I103 PolarHBondContact O-N 2.85Å; M100-A104 PolarHBondContact O-N 3.04Å; M100-V150 HydrophobicContact CE-CG1 3.71Å
101A98.9Very high98.3Very high0 Ų047.9 Ų47.90%028%0.277CS..Hα-helixtrans-65.4-37.817900000112L65 V88 G97 I99 A104 Q105 L116 T118L65-A101 HydrophobicContact CD2-CB 4.04Å; V88-A101 HydrophobicContact CB-CB 4.2Å; V88-A101 HydrophobicContact CG1-CB 4.4Å; V88-A101 HydrophobicContact CG2-CB 3.94Å; G97-A101 WeakPolarHBondContact O-CB 3.36Å; G97-A101 PolarHBondContact O-N 2.81Å; I99-A101 VanDerWaalsContact C-N 3.35Å; I99-A101 PolarHBondContact O-N 2.92Å; A101-A104 WeakPolarHBondContact O-CB 3.4Å; A101-A104 PolarHBondContact O-N 3.14Å; A101-Q105 PolarHBondContact O-N 3.13Å; A101-L116 HydrophobicContact CB-CD1 4.06Å; A101-L116 HydrophobicContact CB-CD2 3.63Å; A101-L116 HydrophobicContact CB-CG 4.48Å; A101-L116 WeakPolarHBondContact O-CD1 3.37Å; A101-T118 HydrophobicContact CB-CG2 4.07Å
102R98.9Very high98.3Very high62 Ų6254.4 Ų54.423%0.23431%0.306CS..Hα-helixtrans-69.1-35.6175-168.659.9172.9-161.91.4112.5A98 I99 M100 Q105 F106 E112 V114A98-R102 WeakPolarHBondContact O-CB 3.47Å; A98-R102 PolarHBondContact O-N 2.9Å; A98-R102 VanDerWaalsContact O-N 3.07Å; I99-R102 PolarHBondContact O-N 2.84Å; M100-R102 VanDerWaalsContact C-N 3.34Å; M100-R102 PolarHBondContact O-N 3.42Å; R102-Q105 VanDerWaalsContact CD-OE1 3.22Å; R102-Q105 WeakPolarHBondContact O-CB 3.25Å; R102-Q105 PolarHBondContact O-N 3.42Å; R102-F106 HydrophobicContact CG-CD2 4.38Å; R102-F106 HydrophobicContact CG-CE2 3.82Å; R102-F106 HydrophobicContact CG-CZ 4.42Å; R102-F106 WeakPolarHBondContact O-CD2 3.34Å; R102-F106 PolarHBondContact O-N 3.28Å; R102-E112 PolarHBondContact NH2-O 3.38Å; R102-V114 PolarHBondContact NH1-O 2.98Å; R102-V114 PolarHBondContact NH2-O 2.97Å
103I98.8Very high98.3Very high75 Ų7557.6 Ų57.639%0.38533%0.328SS..Hα-helixtrans-61.9-48.2170.5-69.5167.6000109.9D62 I99 M100 Q105 F106 L107D62-I103 HydrophobicContact CB-CG2 4.29Å; I99-I103 HydrophobicContact CG2-CD1 3.99Å; I99-I103 WeakPolarHBondContact O-CG1 3.28Å; I99-I103 PolarHBondContact O-N 2.84Å; M100-I103 WeakPolarHBondContact O-CB 3.32Å; M100-I103 PolarHBondContact O-N 2.85Å; I103-Q105 VanDerWaalsContact C-N 3.26Å; I103-Q105 PolarHBondContact O-N 2.99Å; I103-F106 PolarHBondContact O-N 3.1Å; I103-L107 HydrophobicContact CG2-CD1 4.01Å; I103-L107 HydrophobicContact CG2-CG 4.17Å; I103-L107 WeakPolarHBondContact O-CG 3.4Å; I103-L107 PolarHBondContact O-N 2.74Å
104A98.9Very high98.4Very high0 Ų055.6 Ų55.60%032%0.319CS..Hα-helixtrans-56.1-40177.400000112.8D62 L65 M69 M100 A101 F106 L107 S108D62-A104 HydrophobicContact CB-CB 3.96Å; D62-A104 VanDerWaalsContact O-CB 3.27Å; D62-A104 WeakPolarHBondContact O-CB 3.14Å; L65-A104 HydrophobicContact CB-CB 3.89Å; L65-A104 HydrophobicContact CD2-CB 3.73Å; L65-A104 HydrophobicContact CG-CB 3.88Å; M69-A104 HydrophobicContact CE-CB 3.71Å; M69-A104 WeakPolarHBondContact CE-O 3.36Å; M100-A104 PolarHBondContact O-N 3.04Å; A101-A104 WeakPolarHBondContact O-CB 3.4Å; A101-A104 PolarHBondContact O-N 3.14Å; A104-F106 VanDerWaalsContact C-N 3.33Å; A104-F106 PolarHBondContact O-N 3.25Å; A104-L107 PolarHBondContact O-N 3.17Å; A104-S108 PolarHBondContact O-N 3.07Å; A104-S108 VanDerWaalsContact O-N 3.1Å; A104-S108 PolarHBondContact O-OG 3.29Å
105Q98.9Very high98.6Very high0 Ų053.1 Ų53.10%030%0.303CS..Hα-helixtrans-57.2-47.4175.6175.3-174-21.800111.1M69 I86 A101 R102 I103 S108 I110 P111 V114 L116M69-Q105 HydrophobicContact CE-CB 4.45Å; I86-Q105 HydrophobicContact CD1-CG 4.01Å; A101-Q105 PolarHBondContact O-N 3.13Å; R102-Q105 VanDerWaalsContact CD-OE1 3.22Å; R102-Q105 WeakPolarHBondContact O-CB 3.25Å; R102-Q105 PolarHBondContact O-N 3.42Å; I103-Q105 VanDerWaalsContact C-N 3.26Å; I103-Q105 PolarHBondContact O-N 2.99Å; Q105-S108 WeakPolarHBondContact O-CB 3.21Å; Q105-S108 PolarHBondContact O-N 3.33Å; Q105-S108 VanDerWaalsContact O-N 3.16Å; Q105-I110 HydrophobicContact CG-CB 3.59Å; Q105-I110 HydrophobicContact CG-CD1 4.37Å; Q105-I110 HydrophobicContact CG-CG2 3.77Å; Q105-I110 PolarHBondContact O-N 3.06Å; Q105-I110 VanDerWaalsContact O-N 3.14Å; Q105-P111 PolarHBondContact NE2-O 2.79Å; Q105-V114 PolarHBondContact NE2-O 2.98Å; Q105-L116 HydrophobicContact CB-CD1 4.16Å
106F98.9Very high98.7Very high96 Ų9651.5 Ų51.542%0.42128%0.278SS..Hα-helixtrans-71.5-32.7178.4-64.4-46.7000113R102 I103 A104 S108 D109 E112R102-F106 HydrophobicContact CG-CD2 4.38Å; R102-F106 HydrophobicContact CG-CE2 3.82Å; R102-F106 HydrophobicContact CG-CZ 4.42Å; R102-F106 WeakPolarHBondContact O-CD2 3.34Å; R102-F106 PolarHBondContact O-N 3.28Å; I103-F106 PolarHBondContact O-N 3.1Å; A104-F106 VanDerWaalsContact C-N 3.33Å; A104-F106 PolarHBondContact O-N 3.25Å; F106-S108 PolarHBondContact O-N 3.24Å; F106-D109 PolarHBondContact O-N 3.46Å; F106-E112 HydrophobicContact CE1-CB 3.92Å; F106-E112 HydrophobicContact CZ-CB 4.13Å
107L98.8Very high98.8Very high81 Ų8153 Ų5342%0.42429%0.287SS..Hα-helixtrans-63.2-20170-67176.5000112.8D62 S66 I103 A104D62-L107 HydrophobicContact CB-CD1 4.19Å; S66-L107 PolarHBondContact OG-O 3.02Å; I103-L107 HydrophobicContact CG2-CD1 4.01Å; I103-L107 HydrophobicContact CG2-CG 4.17Å; I103-L107 WeakPolarHBondContact O-CG 3.4Å; I103-L107 PolarHBondContact O-N 2.74Å; A104-L107 PolarHBondContact O-N 3.17Å
108S98.8Very high98.8Very high10 Ų1054.4 Ų54.47%0.0730%0.296CS..THydrogen-bonded Turntrans-94.79.7173.6-57.50000113.6S66 T70 A104 Q105 F106 I110S66-S108 VanDerWaalsContact CA-OG 3.23Å; S66-S108 WeakPolarHBondContact CA-OG 3.49Å; S66-S108 WeakPolarHBondContact CB-OG 3.43Å; S66-S108 PolarHBondContact O-OG 3.02Å; S66-S108 VanDerWaalsContact O-OG 3.13Å; S66-S108 PolarHBondContact OG-N 3.01Å; S66-S108 PolarHBondContact OG-OG 2.81Å; T70-S108 WeakPolarHBondContact OG1-CA 3.27Å; T70-S108 VanDerWaalsContact OG1-CB 3.23Å; T70-S108 WeakPolarHBondContact OG1-CB 3.25Å; T70-S108 PolarHBondContact OG1-OG 2.92Å; A104-S108 PolarHBondContact O-N 3.07Å; A104-S108 VanDerWaalsContact O-N 3.1Å; A104-S108 PolarHBondContact O-OG 3.29Å; Q105-S108 WeakPolarHBondContact O-CB 3.21Å; Q105-S108 PolarHBondContact O-N 3.33Å; Q105-S108 VanDerWaalsContact O-N 3.16Å; F106-S108 PolarHBondContact O-N 3.24Å; S108-I110 PolarHBondContact O-N 3.16Å; S108-I110 VanDerWaalsContact O-N 3.12Å
109D98.6Very high98.8Very high143 Ų14353.7 Ų53.777%0.76529%0.287SS*.THydrogen-bonded Turntrans55.225.5-175.1-60.3-53.1000114.1F106F106-D109 PolarHBondContact O-N 3.46Å
110I98.8Very high98.8Very high1 Ų150.8 Ų50.81%0.00527%0.272CS..  trans-80.2124.2172.9-57.4173.1000107.9M69 L73 P80 L83 I86 Q105 S108 V114M69-I110 HydrophobicContact CB-CD1 4.24Å; M69-I110 HydrophobicContact SD-CD1 4.46Å; L73-I110 HydrophobicContact CD1-CD1 3.74Å; L73-I110 HydrophobicContact CD1-CG1 3.77Å; P80-I110 HydrophobicContact CB-CB 4.27Å; P80-I110 HydrophobicContact CB-CG1 4.16Å; P80-I110 HydrophobicContact CB-CG2 4.14Å; L83-I110 HydrophobicContact CD1-CD1 4.32Å; L83-I110 HydrophobicContact CD1-CG2 4.35Å; I86-I110 HydrophobicContact CD1-CD1 3.95Å; I86-I110 HydrophobicContact CD1-CG2 4.2Å; Q105-I110 HydrophobicContact CG-CB 3.59Å; Q105-I110 HydrophobicContact CG-CD1 4.37Å; Q105-I110 HydrophobicContact CG-CG2 3.77Å; Q105-I110 PolarHBondContact O-N 3.06Å; Q105-I110 VanDerWaalsContact O-N 3.14Å; S108-I110 PolarHBondContact O-N 3.16Å; S108-I110 VanDerWaalsContact O-N 3.12Å; I110-V114 HydrophobicContact CG2-CB 3.86Å; I110-V114 HydrophobicContact CG2-CG1 4.1Å; I110-V114 HydrophobicContact CG2-CG2 3.83Å
111P98.7Very high98.8Very high43 Ų4354.1 Ų54.128%0.27928%0.284SS..  trans-68.2159.7-167.526.5-33.8000112.9E81 Q105 T113 V114E81-P111 HydrophobicContact CB-CG 3.96Å; Q105-P111 PolarHBondContact NE2-O 2.79Å; P111-T113 PolarHBondContact O-N 2.87Å; P111-T113 VanDerWaalsContact O-N 3.12Å; P111-V114 HydrophobicContact CG-CG2 4.21Å; P111-V114 PolarHBondContact O-N 3.4Å; P111-V114 VanDerWaalsContact O-N 3.12Å
112E98.7Very high98.7Very high152 Ų15257 Ų5771%0.7130%0.297SS*.THydrogen-bonded Turntrans-60.1-21.7-18062.5-177.7-165.200114.3R102 F106 V114R102-E112 PolarHBondContact NH2-O 3.38Å; F106-E112 HydrophobicContact CE1-CB 3.92Å; F106-E112 HydrophobicContact CZ-CB 4.13Å; E112-V114 VanDerWaalsContact C-N 3.27Å; E112-V114 PolarHBondContact O-N 3.17Å
113T98.8Very high98.7Very high108 Ų10854.1 Ų54.166%0.66329%0.287SS*.THydrogen-bonded Turntrans-68.3-23.3177.554.60000113.3P111P111-T113 PolarHBondContact O-N 2.87Å; P111-T113 VanDerWaalsContact O-N 3.12Å
114V98.9Very high98.7Very high1 Ų150.5 Ų50.51%0.00627%0.268CS..SBendtrans-80.9121.3175.6178.30000108.2P80 L83 I86 R102 Q105 I110 P111 E112P80-V114 WeakPolarHBondContact O-CG2 3.49Å; L83-V114 HydrophobicContact CB-CG1 3.64Å; L83-V114 HydrophobicContact CB-CG2 4.13Å; L83-V114 HydrophobicContact CD1-CG1 4.36Å; I86-V114 HydrophobicContact CD1-CG1 3.93Å; I86-V114 HydrophobicContact CG1-CG1 3.89Å; R102-V114 PolarHBondContact NH1-O 2.98Å; R102-V114 PolarHBondContact NH2-O 2.97Å; Q105-V114 PolarHBondContact NE2-O 2.98Å; I110-V114 HydrophobicContact CG2-CB 3.86Å; I110-V114 HydrophobicContact CG2-CG1 4.1Å; I110-V114 HydrophobicContact CG2-CG2 3.83Å; P111-V114 HydrophobicContact CG-CG2 4.21Å; P111-V114 PolarHBondContact O-N 3.4Å; P111-V114 VanDerWaalsContact O-N 3.12Å; E112-V114 VanDerWaalsContact C-N 3.27Å; E112-V114 PolarHBondContact O-N 3.17Å
115P98.9Very high98.6Very high61 Ų6150.5 Ų50.540%0.39627%0.268SS..  trans-76.8164.4178.931.7-33.1000112G84 D85 I86G84-P115 VanDerWaalsContact O-CD 3.27Å; G84-P115 WeakPolarHBondContact O-CD 3.27Å; G84-P115 WeakPolarHBondContact O-CG 3.23Å; D85-P115 HydrophobicContact CB-CG 4.37Å; I86-P115 PolarHBondContact N-O 3.13Å; I86-P115 VanDerWaalsContact N-O 3.1Å
116L98.9Very high98.6Very high33 Ų3350.5 Ų50.517%0.17327%0.268CS..EExtended strand (participates in β ladder)trans-144.8142.5177.6-175.3149.3000111.5I86 V88 A101 Q105 T118I86-L116 HydrophobicContact CB-CB 4.25Å; I86-L116 HydrophobicContact CB-CD1 3.99Å; I86-L116 HydrophobicContact CB-CG 4.06Å; I86-L116 HydrophobicContact CG2-CD1 3.76Å; I86-L116 HydrophobicContact CG2-CG 4.14Å; I86-L116 CarbonylContact O-C 3.49Å; I86-L116 VanDerWaalsContact O-CA 3.25Å; I86-L116 WeakPolarHBondContact O-CA 3.23Å; V88-L116 HydrophobicContact CG2-CD1 4.21Å; V88-L116 HydrophobicContact CG2-CG 4.43Å; A101-L116 HydrophobicContact CB-CD1 4.06Å; A101-L116 HydrophobicContact CB-CD2 3.63Å; A101-L116 HydrophobicContact CB-CG 4.48Å; A101-L116 WeakPolarHBondContact O-CD1 3.37Å; Q105-L116 HydrophobicContact CB-CD1 4.16Å; L116-T118 HydrophobicContact CD2-CG2 4.45Å
117S98.9Very high98.6Very high47 Ų4746 Ų4633%0.32925%0.249SC..EExtended strand (participates in β ladder)trans-134.9163.5170.867.40000112I86 C87 V88I86-S117 PolarHBondContact O-N 3.12Å; C87-S117 WeakPolarHBondContact CA-O 3.38Å; V88-S117 PolarHBondContact N-O 2.95Å
118T98.9Very high98.7Very high33 Ų3343.5 Ų43.520%0.20224%0.235CC..EExtended strand (participates in β ladder)trans-120.4145.9172.953.30000111.1V88 A96 A98 A101 L116V88-T118 HydrophobicContact CB-CG2 4.24Å; V88-T118 CarbonylContact O-C 3.5Å; V88-T118 WeakPolarHBondContact O-CA 3.5Å; A96-T118 WeakPolarHBondContact O-CB 3.37Å; A96-T118 VanDerWaalsContact O-CG2 3.3Å; A96-T118 WeakPolarHBondContact O-CG2 3.38Å; A98-T118 HydrophobicContact CB-CG2 4.13Å; A101-T118 HydrophobicContact CB-CG2 4.07Å; L116-T118 HydrophobicContact CD2-CG2 4.45Å
119V98.8Very high98.7Very high29 Ų2943 Ų4318%0.17623%0.232CC..EExtended strand (participates in β ladder)trans-126140.4176.3-66.60000110.5C87 V88 G89 N90 Q128 A129C87-V119 VanDerWaalsContact SG-CG1 3.58Å; V88-V119 PolarHBondContact O-N 3.24Å; G89-V119 WeakPolarHBondContact CA-O 3.36Å; N90-V119 PolarHBondContact N-O 3.26Å; V119-Q128 HydrophobicContact CB-CG 4.26Å; V119-Q128 HydrophobicContact CG2-CB 4.38Å; V119-Q128 HydrophobicContact CG2-CG 4.11Å; V119-A129 HydrophobicContact CG2-CB 3.98Å
120N98.5Very high98.7Very high75 Ų7536.3 Ų36.340%0.40120%0.196SC..  trans-125.7107.8172.6-173-15.7000109.7N90 V91 A96 Q122N90-N120 WeakPolarHBondContact O-CB 3.11Å; V91-N120 PolarHBondContact O-ND2 3.14Å; A96-N120 HydrophobicContact CB-CB 4.06Å; N120-Q122 PolarHBondContact OD1-N 3.45Å
121R98.5Very high98.7Very high86 Ų8637 Ų3733%0.32520%0.202SC..  trans-126.150.8163.8-165.9-176.9-66-72.9-4.3108.7C123 S124 S125 Q128 I409 M413R121-C123 PolarHBondContact O-N 2.96Å; R121-S124 WeakPolarHBondContact CB-OG 3.33Å; R121-S124 WeakPolarHBondContact CD-OG 3.43Å; R121-S124 WeakPolarHBondContact CG-OG 3.41Å; R121-S124 PolarHBondContact O-N 2.94Å; R121-S124 VanDerWaalsContact O-N 3.12Å; R121-S124 PolarHBondContact O-OG 3.33Å; R121-S125 PolarHBondContact N-OG 3.43Å; R121-Q128 HydrophobicContact CB-CB 4.27Å; R121-Q128 HydrophobicContact CB-CG 4.27Å; R121-I409 HydrophobicContact CG-CD1 4.34Å; R121-I409 HydrophobicContact CG-CG2 4.35Å; R121-I409 WeakPolarHBondContact O-CG2 3.26Å; R121-M413 HydrophobicContact CG-CE 4.43Å; R121-M413 HydrophobicContact CG-SD 4.39Å
122Q97.7Very high98.7Very high60 Ų6036.7 Ų36.728%0.2820%0.201SC..G310 helixtrans48.5-132179.6-54-71.4-1300111.2V91 N120 S124 S125 I409V91-Q122 WeakPolarHBondContact CG2-O 3.46Å; N120-Q122 PolarHBondContact OD1-N 3.45Å; Q122-S124 PolarHBondContact O-N 3.36Å; Q122-S125 PolarHBondContact N-OG 3.05Å; Q122-S125 WeakPolarHBondContact O-CB 3.31Å; Q122-S125 PolarHBondContact O-N 3.21Å; Q122-S125 PolarHBondContact O-OG 3.45Å; Q122-I409 HydrophobicContact CB-CG2 3.69Å; Q122-I409 HydrophobicContact CG-CG2 4.23Å
123C97.2Very high98.7Very high2 Ų229.5 Ų29.51%0.01417%0.167CC..G310 helixtrans-57.7-16-176.7-47.20000115.1R121 C408R121-C123 PolarHBondContact O-N 2.96Å; C123-C408 WeakPolarHBondContact CB-O 3.35Å
124S98.6Very high98.7Very high0 Ų024.4 Ų24.40%014%0.136CC..G310 helixtrans-95.80.3178.770.60000114.3R121 Q122 G126 L127 Q128 M407 I409R121-S124 WeakPolarHBondContact CB-OG 3.33Å; R121-S124 WeakPolarHBondContact CD-OG 3.43Å; R121-S124 WeakPolarHBondContact CG-OG 3.41Å; R121-S124 PolarHBondContact O-N 2.94Å; R121-S124 VanDerWaalsContact O-N 3.12Å; R121-S124 PolarHBondContact O-OG 3.33Å; Q122-S124 PolarHBondContact O-N 3.36Å; S124-G126 VanDerWaalsContact C-N 3.3Å; S124-G126 PolarHBondContact O-N 3.27Å; S124-G126 VanDerWaalsContact O-N 3.14Å; S124-L127 CarbonylContact O-C 3.39Å; S124-L127 WeakPolarHBondContact O-CA 3.49Å; S124-L127 WeakPolarHBondContact O-CB 3.47Å; S124-L127 PolarHBondContact O-N 3.08Å; S124-Q128 PolarHBondContact O-N 3Å; S124-M407 VanDerWaalsContact CB-SD 3.52Å; S124-I409 VanDerWaalsContact OG-CD1 3.23Å; S124-I409 WeakPolarHBondContact OG-CD1 3.45Å
125S98.8Very high98.7Very high0 Ų025.9 Ų25.90%015%0.151CC..Hα-helixtrans-54.6-40.7-167.7-57.30000113.7R121 Q122 L127 Q128 A129R121-S125 PolarHBondContact N-OG 3.43Å; Q122-S125 PolarHBondContact N-OG 3.05Å; Q122-S125 WeakPolarHBondContact O-CB 3.31Å; Q122-S125 PolarHBondContact O-N 3.21Å; Q122-S125 PolarHBondContact O-OG 3.45Å; S125-L127 VanDerWaalsContact C-N 3.34Å; S125-L127 PolarHBondContact O-N 3.4Å; S125-Q128 CarbonylContact O-C 3.51Å; S125-Q128 WeakPolarHBondContact O-CB 3.33Å; S125-Q128 PolarHBondContact O-N 3.48Å; S125-A129 PolarHBondContact O-N 3.47Å
126G98.8Very high98.7Very high0 Ų023.2 Ų23.20%014%0.135CC..Hα-helixtrans-65.7-32.5175.200000114S124 V130 G380S124-G126 VanDerWaalsContact C-N 3.3Å; S124-G126 PolarHBondContact O-N 3.27Å; S124-G126 VanDerWaalsContact O-N 3.14Å; G126-V130 PolarHBondContact O-N 3.34Å; G126-G380 WeakPolarHBondContact CA-O 3.06Å; G126-G380 PolarHBondContact N-O 3.31Å
127L98.9Very high98.7Very high1 Ų121.7 Ų21.71%0.00513%0.127CC..Hα-helixtrans-78.3-34173.5-172.865.9000111.3S124 S125 A129 V130 A131 Y307 V387 V405 M407 A417 F419S124-L127 CarbonylContact O-C 3.39Å; S124-L127 WeakPolarHBondContact O-CA 3.49Å; S124-L127 WeakPolarHBondContact O-CB 3.47Å; S124-L127 PolarHBondContact O-N 3.08Å; S125-L127 VanDerWaalsContact C-N 3.34Å; S125-L127 PolarHBondContact O-N 3.4Å; L127-A129 VanDerWaalsContact C-N 3.29Å; L127-A129 PolarHBondContact O-N 3.49Å; L127-V130 WeakPolarHBondContact O-CB 3.17Å; L127-V130 PolarHBondContact O-N 3.27Å; L127-A131 PolarHBondContact O-N 3.41Å; L127-Y307 HydrophobicContact CD2-CD2 4.4Å; L127-Y307 HydrophobicContact CD2-CE2 3.83Å; L127-Y307 HydrophobicContact CG-CD2 4.43Å; L127-Y307 HydrophobicContact CG-CE2 3.85Å; L127-V387 HydrophobicContact CD1-CG2 3.72Å; L127-V405 HydrophobicContact CD1-CB 4.43Å; L127-V405 HydrophobicContact CD1-CG1 4.24Å; L127-V405 HydrophobicContact CD2-CB 4.45Å; L127-V405 HydrophobicContact CD2-CG1 4.03Å; L127-M407 HydrophobicContact CB-CE 4.01Å; L127-M407 HydrophobicContact CB-SD 4.31Å; L127-M407 HydrophobicContact CD2-CE 3.87Å; L127-M407 HydrophobicContact CD2-SD 3.75Å; L127-A417 HydrophobicContact CD1-CB 3.86Å; L127-A417 HydrophobicContact CD2-CB 4.06Å; L127-A417 HydrophobicContact CG-CB 4.35Å; L127-F419 HydrophobicContact CD1-CE2 4.41Å; L127-F419 HydrophobicContact CD1-CZ 4.43Å
128Q98.9Very high98.7Very high29 Ų2926.3 Ų26.314%0.13614%0.137CC..Hα-helixtrans-63.5-36.4171.3178.161.865.200111.1V119 R121 S124 S125 A131 S132 Y307V119-Q128 HydrophobicContact CB-CG 4.26Å; V119-Q128 HydrophobicContact CG2-CB 4.38Å; V119-Q128 HydrophobicContact CG2-CG 4.11Å; R121-Q128 HydrophobicContact CB-CB 4.27Å; R121-Q128 HydrophobicContact CB-CG 4.27Å; S124-Q128 PolarHBondContact O-N 3Å; S125-Q128 CarbonylContact O-C 3.51Å; S125-Q128 WeakPolarHBondContact O-CB 3.33Å; S125-Q128 PolarHBondContact O-N 3.48Å; Q128-A131 PolarHBondContact O-N 3.41Å; Q128-S132 PolarHBondContact NE2-OG 2.84Å; Q128-S132 VanDerWaalsContact NE2-OG 3.14Å; Q128-S132 WeakPolarHBondContact O-CB 3.38Å; Q128-S132 PolarHBondContact O-N 3.36Å; Q128-S132 PolarHBondContact O-OG 3.26Å; Q128-Y307 PolarHBondContact OE1-OH 3Å
129A98.9Very high98.7Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-60.9-44.9173.300000111.2C87 V119 S125 L127 A131 S132 I133 A147 C148C87-A129 HydrophobicContact CB-CB 4.34Å; C87-A129 WeakPolarHBondContact O-CB 3.36Å; V119-A129 HydrophobicContact CG2-CB 3.98Å; S125-A129 PolarHBondContact O-N 3.47Å; L127-A129 VanDerWaalsContact C-N 3.29Å; L127-A129 PolarHBondContact O-N 3.49Å; A129-A131 VanDerWaalsContact C-N 3.34Å; A129-A131 PolarHBondContact O-N 2.92Å; A129-S132 PolarHBondContact O-N 3.23Å; A129-S132 VanDerWaalsContact O-N 3.13Å; A129-I133 PolarHBondContact O-N 2.8Å; A129-A147 HydrophobicContact CB-CB 4.26Å; A129-C148 VanDerWaalsContact CB-O 3.31Å; A129-C148 WeakPolarHBondContact CB-O 3.5Å
130V98.9Very high98.6Very high2 Ų231 Ų311%0.01217%0.172CC..Hα-helixtrans-56.9-47.3173.3172.70000111.2G126 L127 S132 A134 A147 I285 L287 F419G126-V130 PolarHBondContact O-N 3.34Å; L127-V130 WeakPolarHBondContact O-CB 3.17Å; L127-V130 PolarHBondContact O-N 3.27Å; V130-S132 VanDerWaalsContact C-N 3.31Å; V130-S132 PolarHBondContact O-N 2.87Å; V130-A134 WeakPolarHBondContact O-CB 3.28Å; V130-A134 PolarHBondContact O-N 3.19Å; V130-A147 VanDerWaalsContact CA-CB 3.46Å; V130-A147 HydrophobicContact CB-CB 4.18Å; V130-A147 HydrophobicContact CG2-CB 3.68Å; V130-I285 HydrophobicContact CG2-CD1 3.52Å; V130-L287 HydrophobicContact CG1-CD2 3.95Å; V130-F419 HydrophobicContact CG1-CZ 4.27Å
131A98.9Very high98.6Very high16 Ų1631.3 Ų31.313%0.13218%0.18CC..Hα-helixtrans-65.1-33.3177.800000113.1L127 Q128 A129 G135 Y307L127-A131 PolarHBondContact O-N 3.41Å; Q128-A131 PolarHBondContact O-N 3.41Å; A129-A131 VanDerWaalsContact C-N 3.34Å; A129-A131 PolarHBondContact O-N 2.92Å; A131-G135 PolarHBondContact O-N 3.15Å; A131-Y307 HydrophobicContact CB-CD1 3.3Å; A131-Y307 HydrophobicContact CB-CD2 4.29Å; A131-Y307 HydrophobicContact CB-CE1 3.34Å; A131-Y307 HydrophobicContact CB-CE2 4.32Å; A131-Y307 HydrophobicContact CB-CG 3.79Å
132S98.9Very high98.7Very high36 Ų3628.8 Ų28.825%0.25217%0.171SC..Hα-helixtrans-71.8-45.4-180-52.60000110.8Q128 A129 V130 A134 G135 G136Q128-S132 PolarHBondContact NE2-OG 2.84Å; Q128-S132 VanDerWaalsContact NE2-OG 3.14Å; Q128-S132 WeakPolarHBondContact O-CB 3.38Å; Q128-S132 PolarHBondContact O-N 3.36Å; Q128-S132 PolarHBondContact O-OG 3.26Å; A129-S132 PolarHBondContact O-N 3.23Å; A129-S132 VanDerWaalsContact O-N 3.13Å; V130-S132 VanDerWaalsContact C-N 3.31Å; V130-S132 PolarHBondContact O-N 2.87Å; S132-A134 VanDerWaalsContact C-N 3.34Å; S132-A134 PolarHBondContact O-N 2.67Å; S132-G135 WeakPolarHBondContact O-CA 3.36Å; S132-G135 PolarHBondContact O-N 3.31Å; S132-G135 VanDerWaalsContact O-N 3.08Å; S132-G136 PolarHBondContact O-N 2.88Å
133I98.9Very high98.7Very high0 Ų028.7 Ų28.70%017%0.172CC..Hα-helixtrans-60.3-44.1172-67.3-59.7000111.2D85 C87 A129 G135 G136 I137 Y142 A147 L287D85-I133 HydrophobicContact CB-CD1 4.08Å; C87-I133 HydrophobicContact CB-CD1 3.67Å; C87-I133 HydrophobicContact CB-CG1 3.77Å; A129-I133 PolarHBondContact O-N 2.8Å; I133-G135 PolarHBondContact O-N 2.78Å; I133-G136 PolarHBondContact O-N 2.87Å; I133-G136 VanDerWaalsContact O-N 3.16Å; I133-I137 HydrophobicContact CG2-CD1 4.03Å; I133-I137 WeakPolarHBondContact O-CG1 3.49Å; I133-I137 PolarHBondContact O-N 2.96Å; I133-Y142 HydrophobicContact CD1-CE2 4.47Å; I133-Y142 HydrophobicContact CG2-CE2 4.32Å; I133-A147 HydrophobicContact CB-CB 4.32Å; I133-A147 HydrophobicContact CG1-CB 3.88Å; I133-L287 HydrophobicContact CB-CD1 4.29Å; I133-L287 HydrophobicContact CG2-CB 3.93Å; I133-L287 HydrophobicContact CG2-CD1 3.91Å; I133-L287 HydrophobicContact CG2-CG 4.46Å
134A98.9Very high98.8Very high1 Ų128.7 Ų28.71%0.00817%0.172CC..Hα-helixtrans-60.4-35.8174.600000112.6V38 V130 S132 I137 R138 L304V38-A134 HydrophobicContact CB-CB 4.41Å; V38-A134 HydrophobicContact CG1-CB 3.88Å; V38-A134 HydrophobicContact CG2-CB 4.25Å; V130-A134 WeakPolarHBondContact O-CB 3.28Å; V130-A134 PolarHBondContact O-N 3.19Å; S132-A134 VanDerWaalsContact C-N 3.34Å; S132-A134 PolarHBondContact O-N 2.67Å; A134-I137 PolarHBondContact O-N 2.83Å; A134-R138 WeakPolarHBondContact O-CB 3.42Å; A134-R138 VanDerWaalsContact O-CG 3.27Å; A134-R138 WeakPolarHBondContact O-CG 3.41Å; A134-R138 PolarHBondContact O-N 2.81Å; A134-L304 HydrophobicContact CB-CD2 3.49Å; A134-L304 VanDerWaalsContact CB-CD2 3.49Å
135G98.8Very high98.8Very high33 Ų3328.7 Ų28.734%0.3417%0.172SC..Hα-helixtrans-63.1-44.7172.600000112.7A131 S132 I133 R138 N139A131-G135 PolarHBondContact O-N 3.15Å; S132-G135 WeakPolarHBondContact O-CA 3.36Å; S132-G135 PolarHBondContact O-N 3.31Å; S132-G135 VanDerWaalsContact O-N 3.08Å; I133-G135 PolarHBondContact O-N 2.78Å; G135-R138 PolarHBondContact O-N 3.27Å; G135-N139 WeakPolarHBondContact O-CB 3.44Å; G135-N139 PolarHBondContact O-N 3Å
136G98.9Very high98.8Very high5 Ų528.7 Ų28.75%0.05217%0.172CC..Hα-helixtrans-66.8-31.5175.600000114.2S132 I133 N139 G140 S141 Y142S132-G136 PolarHBondContact O-N 2.88Å; I133-G136 PolarHBondContact O-N 2.87Å; I133-G136 VanDerWaalsContact O-N 3.16Å; G136-N139 VanDerWaalsContact C-OD1 3.31Å; G136-N139 WeakPolarHBondContact CA-OD1 3.41Å; G136-N139 PolarHBondContact O-OD1 3.36Å; G136-G140 PolarHBondContact O-N 3.5Å; G136-S141 PolarHBondContact O-N 2.87Å; G136-S141 VanDerWaalsContact O-N 3.12Å; G136-Y142 WeakPolarHBondContact CA-OH 3.28Å
137I98.9Very high98.8Very high1 Ų128.7 Ų28.71%0.00517%0.172CC..Hα-helixtrans-69-41.6170.8-66.7164.8000110.8V38 I133 A134 G140 Y142 L287 R289V38-I137 HydrophobicContact CG1-CD1 3.99Å; V38-I137 HydrophobicContact CG2-CB 4.18Å; V38-I137 HydrophobicContact CG2-CG2 3.95Å; I133-I137 HydrophobicContact CG2-CD1 4.03Å; I133-I137 WeakPolarHBondContact O-CG1 3.49Å; I133-I137 PolarHBondContact O-N 2.96Å; A134-I137 PolarHBondContact O-N 2.83Å; I137-G140 PolarHBondContact O-N 3.43Å; I137-Y142 WeakPolarHBondContact CA-O 3.27Å; I137-Y142 HydrophobicContact CG1-CD2 3.98Å; I137-Y142 HydrophobicContact CG1-CE2 3.92Å; I137-L287 HydrophobicContact CD1-CB 4.01Å; I137-R289 HydrophobicContact CG2-CB 3.83Å; I137-R289 PolarHBondContact O-NH2 3.26Å
138R98.6Very high98.8Very high144 Ų14428.7 Ų28.754%0.54317%0.172SC..Hα-helixtrans-72.4-31.4-179.4-76.2170.1174.3164.4-1.2113.6V38 A134 G135 G140V38-R138 HydrophobicContact CG2-CG 4.02Å; A134-R138 WeakPolarHBondContact O-CB 3.42Å; A134-R138 VanDerWaalsContact O-CG 3.27Å; A134-R138 WeakPolarHBondContact O-CG 3.41Å; A134-R138 PolarHBondContact O-N 2.81Å; G135-R138 PolarHBondContact O-N 3.27Å; R138-G140 VanDerWaalsContact C-N 3.26Å
139N98.4Very high98.8Very high109 Ų10927.3 Ų27.358%0.58317%0.165SC*.THydrogen-bonded Turntrans-82.2-4.3177.577.55.7000113G135 G136 S141G135-N139 WeakPolarHBondContact O-CB 3.44Å; G135-N139 PolarHBondContact O-N 3Å; G136-N139 VanDerWaalsContact C-OD1 3.31Å; G136-N139 WeakPolarHBondContact CA-OD1 3.41Å; G136-N139 PolarHBondContact O-OD1 3.36Å; N139-S141 VanDerWaalsContact CG-OG 3.26Å; N139-S141 PolarHBondContact ND2-OG 2.78Å; N139-S141 VanDerWaalsContact OD1-CB 3.24Å; N139-S141 WeakPolarHBondContact OD1-CB 3.39Å; N139-S141 PolarHBondContact OD1-N 3.27Å; N139-S141 PolarHBondContact OD1-OG 3.18Å
140G98.5Very high98.8Very high51 Ų5127.3 Ų27.353%0.52617%0.165SC..THydrogen-bonded Turntrans81.812.7177.900000115.3G136 I137 R138 Y142G136-G140 PolarHBondContact O-N 3.5Å; I137-G140 PolarHBondContact O-N 3.43Å; R138-G140 VanDerWaalsContact C-N 3.26Å; G140-Y142 VanDerWaalsContact C-N 3.33Å
141S98.7Very high98.8Very high81 Ų8127.2 Ų27.257%0.56617%0.165SC*.SBendtrans-68.2-33.4179-59.20000112.5G136 N139G136-S141 PolarHBondContact O-N 2.87Å; G136-S141 VanDerWaalsContact O-N 3.12Å; N139-S141 VanDerWaalsContact CG-OG 3.26Å; N139-S141 PolarHBondContact ND2-OG 2.78Å; N139-S141 VanDerWaalsContact OD1-CB 3.24Å; N139-S141 WeakPolarHBondContact OD1-CB 3.39Å; N139-S141 PolarHBondContact OD1-N 3.27Å; N139-S141 PolarHBondContact OD1-OG 3.18Å
142Y98.8Very high98.8Very high34 Ų3426.4 Ų26.413%0.13316%0.159CC..  trans-162.2167.4179.544.5-97.5000111.1D85 I133 G136 I137 G140 I144D85-Y142 HydrophobicContact CB-CD1 4Å; D85-Y142 HydrophobicContact CB-CE1 3.4Å; D85-Y142 HydrophobicContact CB-CE2 4.24Å; I133-Y142 HydrophobicContact CD1-CE2 4.47Å; I133-Y142 HydrophobicContact CG2-CE2 4.32Å; G136-Y142 WeakPolarHBondContact CA-OH 3.28Å; I137-Y142 WeakPolarHBondContact CA-O 3.27Å; I137-Y142 HydrophobicContact CG1-CD2 3.98Å; I137-Y142 HydrophobicContact CG1-CE2 3.92Å; G140-Y142 VanDerWaalsContact C-N 3.33Å; Y142-I144 WeakPolarHBondContact CD2-O 3.5Å
143D98.8Very high98.8Very high57 Ų5725.7 Ų25.731%0.30515%0.151SC..SBendtrans-101.2-21179.3-71.5-44.1000114.3A288 R289 K292D143-A288 CarbonylContact O-C 3.53Å; D143-A288 WeakPolarHBondContact O-CA 3.36Å; D143-R289 PolarHBondContact O-N 2.83Å; D143-R289 IonicContact OD1-CZ 2.73Å; D143-R289 IonicContact OD1-NE 3.29Å; D143-R289 IonicContact OD1-NH1 3.58Å; D143-R289 PolarHBondContact OD1-NH1 2.91Å; D143-R289 IonicContact OD1-NH2 3.77Å; D143-K292 HydrophobicContact CB-CB 3.85Å; D143-K292 HydrophobicContact CB-CD 4.36Å; D143-K292 HydrophobicContact CB-CG 3.71Å
144I98.9Very high98.7Very high3 Ų327.2 Ų27.22%0.01516%0.162CC..EExtended strand (participates in β ladder)trans-136.2137.5-178.1-52179.3000108.2L78 L83 G84 Y142 L286 L287 A288 K292 L296L78-I144 HydrophobicContact CD1-CD1 4.18Å; L78-I144 HydrophobicContact CD2-CG2 4.08Å; L83-I144 HydrophobicContact CD2-CG2 4.09Å; G84-I144 PolarHBondContact N-O 2.91Å; Y142-I144 WeakPolarHBondContact CD2-O 3.5Å; I144-L286 HydrophobicContact CG2-CD1 3.8Å; I144-L286 HydrophobicContact CG2-CG 4.32Å; I144-L287 WeakPolarHBondContact CA-O 3.19Å; I144-L287 WeakPolarHBondContact CG2-O 3.33Å; I144-A288 HydrophobicContact CG1-CB 4.11Å; I144-K292 HydrophobicContact CD1-CG 3.9Å; I144-K292 HydrophobicContact CG1-CG 3.83Å; I144-L296 HydrophobicContact CD1-CD1 3.51Å
145G98.9Very high98.7Very high0 Ų031.2 Ų31.20%018%0.183CC..EExtended strand (participates in β ladder)trans-151160.7173.400000112D85 L287D85-G145 VanDerWaalsContact O-CA 3.3Å; D85-G145 WeakPolarHBondContact O-CA 3.3Å; G145-L287 PolarHBondContact N-O 2.83Å; G145-L287 PolarHBondContact O-N 3.4Å
146M99Very high98.5Very high0 Ų030.4 Ų30.40%017%0.173CC..EExtended strand (participates in β ladder)trans-110.8122.6178.7-164.9-179.2-72.100110.5M69 V72 L73 L83 D85 I86 C87 A284 I285 L286M69-M146 HydrophobicContact CB-SD 3.92Å; M69-M146 HydrophobicContact CG-SD 3.61Å; M69-M146 HydrophobicContact SD-SD 4.35Å; V72-M146 HydrophobicContact CB-CE 4.38Å; V72-M146 HydrophobicContact CG1-CE 4.19Å; L73-M146 HydrophobicContact CD1-CE 4.17Å; L73-M146 HydrophobicContact CD2-CE 3.84Å; L73-M146 HydrophobicContact CG-CE 3.69Å; L83-M146 HydrophobicContact CD1-CE 4.09Å; L83-M146 HydrophobicContact CD2-CB 4.15Å; L83-M146 HydrophobicContact CD2-CE 4.5Å; D85-M146 PolarHBondContact O-N 3.02Å; I86-M146 CarbonylContact C-O 3.58Å; I86-M146 WeakPolarHBondContact CA-O 3.25Å; I86-M146 HydrophobicContact CG1-CB 4.26Å; C87-M146 PolarHBondContact N-O 3.43Å; M146-A284 HydrophobicContact CG-CB 4.42Å; M146-A284 HydrophobicContact SD-CB 4.09Å; M146-I285 WeakPolarHBondContact CA-O 3.4Å; M146-L286 HydrophobicContact CE-CD1 4.46Å
147A99Very high98.1Very high0 Ų035.2 Ų35.20%020%0.197CC..EExtended strand (participates in β ladder)trans-102.1121.8173.100000109.6A129 V130 I133 A284 I285 L287A129-A147 HydrophobicContact CB-CB 4.26Å; V130-A147 VanDerWaalsContact CA-CB 3.46Å; V130-A147 HydrophobicContact CB-CB 4.18Å; V130-A147 HydrophobicContact CG2-CB 3.68Å; I133-A147 HydrophobicContact CB-CB 4.32Å; I133-A147 HydrophobicContact CG1-CB 3.88Å; A147-A284 CarbonylContact O-C 3.55Å; A147-I285 PolarHBondContact N-O 2.86Å; A147-I285 PolarHBondContact O-N 2.94Å; A147-L287 HydrophobicContact CB-CD1 3.6Å
148C98.9Very high97.5Very high0 Ų042.6 Ų42.60%023%0.225CC..EExtended strand (participates in β ladder)trans-120.7164.1-178.6-54.60000111.3L65 C87 V88 G89 A129 A283L65-C148 HydrophobicContact CD1-CB 3.59Å; C87-C148 PolarHBondContact O-N 3.47Å; V88-C148 HydrophobicContact CB-CB 4.41Å; V88-C148 HydrophobicContact CG1-CB 4.18Å; V88-C148 HydrophobicContact CG2-CB 4.07Å; G89-C148 PolarHBondContact N-O 3.37Å; A129-C148 VanDerWaalsContact CB-O 3.31Å; A129-C148 WeakPolarHBondContact CB-O 3.5Å; C148-A283 CarbonylContact C-O 3.58Å; C148-A283 WeakPolarHBondContact CA-O 3.26Å; C148-A283 WeakPolarHBondContact CB-O 3.33Å
149G98.9Very high96.9Very high0 Ų038.7 Ų38.70%023%0.23CC..EExtended strand (participates in β ladder)trans-144.9140.5162.400000109.8G89 A282 A283 G380 C381G89-G149 CarbonylContact O-C 3.46Å; G89-G149 VanDerWaalsContact O-CA 3.25Å; G89-G149 WeakPolarHBondContact O-CA 3.41Å; G149-A282 CarbonylContact O-C 3.58Å; G149-A282 VanDerWaalsContact O-CA 3.26Å; G149-A282 WeakPolarHBondContact O-CA 3.29Å; G149-A283 PolarHBondContact N-O 2.89Å; G149-A283 PolarHBondContact O-N 2.79Å; G149-G380 WeakPolarHBondContact CA-O 3.29Å; G149-C381 VanDerWaalsContact C-CA 3.46Å; G149-C381 WeakPolarHBondContact O-CB 3.49Å
150V98.9Very high96.4Very high0 Ų038.7 Ų38.70%023%0.23CC..EExtended strand (participates in β ladder)trans-145144.4179.162.10000110.5P61 L64 L65 V88 G89 N90 M100 G281 A282P61-V150 HydrophobicContact CB-CG2 3.88Å; P61-V150 WeakPolarHBondContact O-CG2 3.49Å; L64-V150 HydrophobicContact CB-CG2 4.3Å; L65-V150 HydrophobicContact CB-CB 4.3Å; L65-V150 HydrophobicContact CB-CG1 4.35Å; L65-V150 HydrophobicContact CB-CG2 4.3Å; L65-V150 HydrophobicContact CD1-CB 4.45Å; L65-V150 HydrophobicContact CD2-CG1 4.13Å; V88-V150 HydrophobicContact CG1-CG1 3.86Å; G89-V150 PolarHBondContact O-N 3.35Å; N90-V150 PolarHBondContact ND2-O 3.08Å; M100-V150 HydrophobicContact CE-CG1 3.71Å; V150-G281 WeakPolarHBondContact CA-O 3.22Å; V150-A282 HydrophobicContact CB-CB 3.95Å; V150-A282 HydrophobicContact CG2-CB 3.78Å
151E98.8Very high95.9Very high0 Ų040.5 Ų40.50%023%0.232CC..EExtended strand (participates in β ladder)trans-145.7139.6167.6-157.465.2-97.800110.4N90 V91 L92 M153 D280 G281 P378 L379 G380N90-E151 PolarHBondContact ND2-OE1 3.04Å; V91-E151 VanDerWaalsContact CB-OE2 3.31Å; V91-E151 WeakPolarHBondContact CB-OE2 3.38Å; V91-E151 PolarHBondContact N-OE2 3.02Å; L92-E151 HydrophobicContact CD1-CG 4.22Å; L92-E151 PolarHBondContact N-OE1 3.24Å; E151-M153 HydrophobicContact CG-CG 3.68Å; E151-D280 WeakPolarHBondContact O-CA 3.41Å; E151-G281 PolarHBondContact N-O 2.64Å; E151-G281 PolarHBondContact O-N 3.07Å; E151-P378 HydrophobicContact CB-CB 3.95Å; E151-L379 HydrophobicContact CG-CB 4.17Å; E151-G380 PolarHBondContact OE2-N 3.33Å
152S98.6Very high95.6Very high0 Ų038.6 Ų38.60%023%0.225CC..EExtended strand (participates in β ladder)trans-120.890.9164.3178.90000107.7S154 L155 A156 D280S152-S154 PolarHBondContact O-N 3.31Å; S152-L155 PolarHBondContact O-N 3.45Å; S152-L155 WeakPolarHBondContact OG-CG 3.06Å; S152-A156 WeakPolarHBondContact O-CB 3.34Å; S152-A156 PolarHBondContact O-N 2.7Å; S152-A156 VanDerWaalsContact O-N 3.07Å; S152-D280 VanDerWaalsContact C-OD1 3.31Å; S152-D280 WeakPolarHBondContact CA-OD1 3.45Å
153M98.3Very high95.4Very high20 Ų2045.5 Ų45.510%0.09926%0.264CS..THydrogen-bonded Turntrans-74.5-12.8176.7-60.4-172.28400112A51 L92 E151 V278 S279 D280 L379A51-M153 HydrophobicContact CB-CB 4.08Å; L92-M153 HydrophobicContact CD1-CE 4.23Å; L92-M153 HydrophobicContact CD1-CG 3.97Å; E151-M153 HydrophobicContact CG-CG 3.68Å; M153-V278 HydrophobicContact CB-CG1 3.58Å; M153-V278 HydrophobicContact CE-CG1 3.7Å; M153-V278 HydrophobicContact CG-CG1 4.22Å; M153-V278 HydrophobicContact SD-CB 4.39Å; M153-V278 HydrophobicContact SD-CG1 3.61Å; M153-S279 VanDerWaalsContact CG-O 3.24Å; M153-S279 WeakPolarHBondContact CG-O 3.43Å; M153-D280 PolarHBondContact N-OD1 2.81Å; M153-L379 HydrophobicContact CE-CD1 3.9Å; M153-L379 HydrophobicContact CE-CD2 4.4Å; M153-L379 HydrophobicContact CE-CG 3.95Å; M153-L379 HydrophobicContact SD-CG 4.07Å
154S97.9Very high95.3Very high33 Ų3346.4 Ų46.423%0.23127%0.269CS..THydrogen-bonded Turntrans-65.8-41167.5-72.90000112.7A51 G52 S152 D280A51-S154 VanDerWaalsContact CA-OG 3.26Å; A51-S154 WeakPolarHBondContact CA-OG 3.37Å; G52-S154 PolarHBondContact N-OG 2.89Å; S152-S154 PolarHBondContact O-N 3.31Å; S154-D280 WeakPolarHBondContact CB-OD2 3.43Å; S154-D280 PolarHBondContact N-OD1 2.94Å; S154-D280 VanDerWaalsContact OG-CG 3.32Å; S154-D280 PolarHBondContact OG-OD1 2.87Å; S154-D280 PolarHBondContact OG-OD2 2.74Å
155L97.4Very high95.2Very high85 Ų8550.6 Ų50.645%0.44529%0.294SS..THydrogen-bonded Turntrans-105.8-21.5-169.1-59.8178.2000113.9T59 T60 S152T59-L155 WeakPolarHBondContact O-CD1 3.48Å; T60-L155 HydrophobicContact CG2-CD1 4.12Å; S152-L155 PolarHBondContact O-N 3.45Å; S152-L155 WeakPolarHBondContact OG-CG 3.06Å
156A94.8Very high95Very high15 Ų1556.3 Ų56.312%0.12433%0.334CS..SBendtrans-82.4146.4-178.100000113.2L92 S152 R158L92-A156 HydrophobicContact CB-CB 3.43Å; L92-A156 VanDerWaalsContact CB-CB 3.43Å; L92-A156 HydrophobicContact CD1-CB 4.02Å; L92-A156 HydrophobicContact CG-CB 4.38Å; S152-A156 WeakPolarHBondContact O-CB 3.34Å; S152-A156 PolarHBondContact O-N 2.7Å; S152-A156 VanDerWaalsContact O-N 3.07Å; A156-R158 PolarHBondContact O-N 2.74Å
157D90.2Very high94.9Very high106 Ų10664.1 Ų64.157%0.56736%0.364SS*.  trans-76.9103.6172.6-177.85.5000110.8G159 N160D157-G159 VanDerWaalsContact C-N 3.25Å; D157-G159 PolarHBondContact O-N 3.43Å; D157-G159 PolarHBondContact OD1-N 2.76Å; D157-N160 WeakPolarHBondContact OD2-CB 3.48Å
158R87.6Confident94.7Very high156 Ų15665 Ų6559%0.58937%0.369SS*.THydrogen-bonded Turntrans-74.9-12.9179-64.6179.6-69162.6-1.2113.6L92 A156L92-R158 HydrophobicContact CD1-CG 3.88Å; A156-R158 PolarHBondContact O-N 2.74Å
159G85Confident94.5Very high62 Ų6270.4 Ų70.464%0.63940%0.395SS*.THydrogen-bonded Turntrans-94.4-7.8-172.300000114.7D157 P161D157-G159 VanDerWaalsContact C-N 3.25Å; D157-G159 PolarHBondContact O-N 3.43Å; D157-G159 PolarHBondContact OD1-N 2.76Å; G159-P161 WeakPolarHBondContact O-CD 3.34Å
160N88.3Confident94.4Very high109 Ų10976.7 Ų76.758%0.58342%0.424SS*.  trans-96.2105.4-175.7-177.13.3000111.9D157 G162D157-N160 WeakPolarHBondContact OD2-CB 3.48Å; N160-G162 VanDerWaalsContact C-N 3.29Å; N160-G162 PolarHBondContact O-N 3.36Å; N160-G162 WeakPolarHBondContact OD1-CA 3.25Å; N160-G162 PolarHBondContact OD1-N 3.08Å
161P88.5Confident94.4Very high90 Ų9083.5 Ų83.558%0.58445%0.454SS*.  trans-84.5-2177.238.3-39000113.2G159 I164 L178G159-P161 WeakPolarHBondContact O-CD 3.34Å; P161-I164 HydrophobicContact CB-CD1 3.85Å; P161-I164 HydrophobicContact CG-CD1 3.99Å; P161-L178 HydrophobicContact CB-CD2 4.38Å
162G92.3Very high94.3Very high40 Ų4089.4 Ų89.441%0.41248%0.481SS..  trans83.4-168.1-170.900000113.9N160 I164N160-G162 VanDerWaalsContact C-N 3.29Å; N160-G162 PolarHBondContact O-N 3.36Å; N160-G162 WeakPolarHBondContact OD1-CA 3.25Å; N160-G162 PolarHBondContact OD1-N 3.08Å; G162-I164 PolarHBondContact O-N 3.04Å
163N94.9Very high94.2Very high179 Ų17994 Ų9496%0.95750%0.502SS*.  trans-81115-179-62.1-33.5000110.5
164I95.5Very high94.2Very high77 Ų7794.9 Ų94.940%0.39551%0.512SS..  trans-114.3141.5-178.3-61178.8000110.3P161 G162 L168 L178P161-I164 HydrophobicContact CB-CD1 3.85Å; P161-I164 HydrophobicContact CG-CD1 3.99Å; G162-I164 PolarHBondContact O-N 3.04Å; I164-L168 HydrophobicContact CG2-CB 4.15Å; I164-L168 HydrophobicContact CG2-CD1 3.79Å; I164-L168 HydrophobicContact CG2-CD2 4.08Å; I164-L168 HydrophobicContact CG2-CG 4.23Å; I164-L178 HydrophobicContact CD1-CD1 4.13Å; I164-L178 HydrophobicContact CD1-CD2 3.74Å; I164-L178 HydrophobicContact CD1-CG 4.43Å
165T96.6Very high94.2Very high91 Ų9198.7 Ų98.756%0.55852%0.521SS*.  trans-59.5142.7177.1179.30000112.6R167 L168T165-R167 PolarHBondContact O-N 3.17Å; T165-R167 PolarHBondContact OG1-N 2.92Å; T165-L168 PolarHBondContact O-N 2.95Å
166S95.6Very high94.2Very high120 Ų12095.7 Ų95.784%0.83951%0.505SS*.G310 helixtrans-63.1-20.1173.354.30000113.4L168S166-L168 PolarHBondContact O-N 3.02Å
167R96.4Very high94.3Very high164 Ų16497.4 Ų97.462%0.61952%0.516SS*.G310 helixtrans-81.65.5178.4-57.7-166.8-173.9168.60.8114.1T165 M169 E170T165-R167 PolarHBondContact O-N 3.17Å; T165-R167 PolarHBondContact OG1-N 2.92Å; R167-M169 PolarHBondContact O-N 2.7Å; R167-M169 VanDerWaalsContact O-N 3.15Å; R167-E170 HydrophobicContact CB-CG 4.31Å; R167-E170 WeakPolarHBondContact CG-OE1 3.31Å; R167-E170 VanDerWaalsContact O-CB 3.28Å; R167-E170 WeakPolarHBondContact O-CB 3.2Å; R167-E170 PolarHBondContact O-N 3.12Å
168L95.4Very high94.6Very high19 Ų1996.4 Ų96.410%0.09951%0.511CS..G310 helixtrans-51.9-40.2-179.3-170.979.8000112.3I164 T165 S166 E170 K171 A174 L178I164-L168 HydrophobicContact CG2-CB 4.15Å; I164-L168 HydrophobicContact CG2-CD1 3.79Å; I164-L168 HydrophobicContact CG2-CD2 4.08Å; I164-L168 HydrophobicContact CG2-CG 4.23Å; T165-L168 PolarHBondContact O-N 2.95Å; S166-L168 PolarHBondContact O-N 3.02Å; L168-E170 PolarHBondContact O-N 3.29Å; L168-K171 PolarHBondContact O-N 2.76Å; L168-K171 VanDerWaalsContact O-N 3.15Å; L168-A174 HydrophobicContact CD1-CB 3.67Å; L168-A174 WeakPolarHBondContact CD1-O 3.26Å; L168-L178 HydrophobicContact CD2-CD1 3.29Å; L168-L178 HydrophobicContact CD2-CG 3.94Å
169M94.2Very high95Very high113 Ų11391 Ų9156%0.55749%0.493SS*.G310 helixtrans-66.5-19.7-178.2-59.5-55.9149.600113R167 K171 R175R167-M169 PolarHBondContact O-N 2.7Å; R167-M169 VanDerWaalsContact O-N 3.15Å; M169-K171 VanDerWaalsContact C-N 3.3Å; M169-K171 PolarHBondContact O-N 3.1Å; M169-R175 HydrophobicContact CE-CG 4.41Å; M169-R175 PolarHBondContact O-NH2 2.56Å; M169-R175 HydrophobicContact SD-CG 3.82Å
170E97.5Very high95.6Very high132 Ų13291.9 Ų91.962%0.61749%0.487SS*.G310 helixtrans-76.9-16177.7-56.3172.6-162.500112.8R167 L168R167-E170 HydrophobicContact CB-CG 4.31Å; R167-E170 WeakPolarHBondContact CG-OE1 3.31Å; R167-E170 VanDerWaalsContact O-CB 3.28Å; R167-E170 WeakPolarHBondContact O-CB 3.2Å; R167-E170 PolarHBondContact O-N 3.12Å; L168-E170 PolarHBondContact O-N 3.29Å
171K97.6Very high96Very high143 Ų14390.2 Ų90.262%0.62248%0.477SS*.  trans-122.6102.2-177.1-64-62.5-179.2-174.30110.2L168 M169 K173 A174 R175L168-K171 PolarHBondContact O-N 2.76Å; L168-K171 VanDerWaalsContact O-N 3.15Å; M169-K171 VanDerWaalsContact C-N 3.3Å; M169-K171 PolarHBondContact O-N 3.1Å; K171-K173 PolarHBondContact O-N 2.97Å; K171-A174 HydrophobicContact CB-CB 3.77Å; K171-A174 WeakPolarHBondContact O-CA 3.49Å; K171-A174 WeakPolarHBondContact O-CB 3.26Å; K171-A174 PolarHBondContact O-N 3.34Å; K171-R175 PolarHBondContact O-N 3.4Å
172E97.3Very high96.5Very high123 Ų12386 Ų8658%0.57545%0.45SS*.Hα-helixtrans-46.9-54.4-177.7-173.5-171146.100112.7A174 R175 D176E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.45Å; E172-R175 WeakPolarHBondContact O-CA 3.37Å; E172-R175 VanDerWaalsContact O-CB 3.29Å; E172-R175 WeakPolarHBondContact O-CB 3.19Å; E172-R175 PolarHBondContact O-N 2.92Å; E172-R175 VanDerWaalsContact O-N 3.07Å; E172-D176 VanDerWaalsContact O-CG 3.32Å; E172-D176 PolarHBondContact O-N 3.26Å
173K97.7Very high96.8Very high98 Ų9886.4 Ų86.443%0.42644%0.442SS..Hα-helixtrans-65.9-26.6-179.3-68-70.8156.7-137.30114.1K171 D176 C177 D315K171-K173 PolarHBondContact O-N 2.97Å; K173-D176 IonicContact NZ-OD2 3.48Å; K173-D176 PolarHBondContact NZ-OD2 3.42Å; K173-C177 PolarHBondContact O-SG 3.4Å; K173-D315 IonicContact NZ-OD1 2.89Å
174A97.4Very high96.9Very high38 Ų3878 Ų7831%0.31440%0.397SS..Hα-helixtrans-72.3-41.7173.400000110.5L168 K171 E172 D176 C177L168-A174 HydrophobicContact CD1-CB 3.67Å; L168-A174 WeakPolarHBondContact CD1-O 3.26Å; K171-A174 HydrophobicContact CB-CB 3.77Å; K171-A174 WeakPolarHBondContact O-CA 3.49Å; K171-A174 WeakPolarHBondContact O-CB 3.26Å; K171-A174 PolarHBondContact O-N 3.34Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.45Å; A174-D176 VanDerWaalsContact C-N 3.31Å; A174-D176 PolarHBondContact O-N 3.04Å; A174-C177 WeakPolarHBondContact O-CB 3.4Å; A174-C177 PolarHBondContact O-N 3.18Å
175R97.1Very high97.1Very high113 Ų11374.4 Ų74.443%0.42638%0.379SS..Hα-helixtrans-59.7-41.4173.1-164.9-166.4-46.1162.35.8111.8M169 K171 E172 C177 L178M169-R175 HydrophobicContact CE-CG 4.41Å; M169-R175 PolarHBondContact O-NH2 2.56Å; M169-R175 HydrophobicContact SD-CG 3.82Å; K171-R175 PolarHBondContact O-N 3.4Å; E172-R175 WeakPolarHBondContact O-CA 3.37Å; E172-R175 VanDerWaalsContact O-CB 3.29Å; E172-R175 WeakPolarHBondContact O-CB 3.19Å; E172-R175 PolarHBondContact O-N 2.92Å; E172-R175 VanDerWaalsContact O-N 3.07Å; R175-C177 PolarHBondContact O-N 3.18Å; R175-C177 VanDerWaalsContact O-N 3.16Å; R175-L178 PolarHBondContact O-N 3.5Å
176D98Very high97.2Very high21 Ų2170.2 Ų70.211%0.11235%0.353CS..Hα-helixtrans-60.4-25.4-180-67-13.9000112.9E172 K173 A174 L178 I179 P314E172-D176 VanDerWaalsContact O-CG 3.32Å; E172-D176 PolarHBondContact O-N 3.26Å; K173-D176 IonicContact NZ-OD2 3.48Å; K173-D176 PolarHBondContact NZ-OD2 3.42Å; A174-D176 VanDerWaalsContact C-N 3.31Å; A174-D176 PolarHBondContact O-N 3.04Å; D176-L178 PolarHBondContact O-N 2.97Å; D176-I179 HydrophobicContact CB-CD1 3.9Å; D176-I179 WeakPolarHBondContact O-CB 3.37Å; D176-I179 WeakPolarHBondContact O-CG1 3.14Å; D176-I179 PolarHBondContact O-N 2.88Å; D176-I179 VanDerWaalsContact O-N 3.1Å; D176-P314 HydrophobicContact CB-CB 3.87Å; D176-P314 HydrophobicContact CB-CG 4.21Å
177C97.4Very high97.3Very high52 Ų5266 Ų6635%0.35132%0.321SS..THydrogen-bonded Turntrans-65.3-17.1175.2-65.80000113.6K173 A174 R175 T411K173-C177 PolarHBondContact O-SG 3.4Å; A174-C177 WeakPolarHBondContact O-CB 3.4Å; A174-C177 PolarHBondContact O-N 3.18Å; R175-C177 PolarHBondContact O-N 3.18Å; R175-C177 VanDerWaalsContact O-N 3.16Å; C177-T411 HydrophobicContact CB-CG2 4.22Å
178L96.3Very high97.4Very high85 Ų8558.1 Ų58.145%0.44529%0.291SS..THydrogen-bonded Turntrans-95.71.1174.8-61.7-169.6000113.6P161 I164 L168 R175 D176 P180P161-L178 HydrophobicContact CB-CD2 4.38Å; I164-L178 HydrophobicContact CD1-CD1 4.13Å; I164-L178 HydrophobicContact CD1-CD2 3.74Å; I164-L178 HydrophobicContact CD1-CG 4.43Å; L168-L178 HydrophobicContact CD2-CD1 3.29Å; L168-L178 HydrophobicContact CD2-CG 3.94Å; R175-L178 PolarHBondContact O-N 3.5Å; D176-L178 PolarHBondContact O-N 2.97Å; L178-P180 WeakPolarHBondContact O-CD 3.42Å
179I96.9Very high97.6Very high42 Ų4257.5 Ų57.522%0.21529%0.289CS..SBendtrans-64.3125.9174.7-65.6170.6000108.3D176 M181 I183 T184 D315D176-I179 HydrophobicContact CB-CD1 3.9Å; D176-I179 WeakPolarHBondContact O-CB 3.37Å; D176-I179 WeakPolarHBondContact O-CG1 3.14Å; D176-I179 PolarHBondContact O-N 2.88Å; D176-I179 VanDerWaalsContact O-N 3.1Å; I179-M181 PolarHBondContact O-N 2.83Å; I179-I183 HydrophobicContact CG2-CB 3.73Å; I179-I183 HydrophobicContact CG2-CG2 3.69Å; I179-T184 HydrophobicContact CB-CG2 4.25Å; I179-T184 HydrophobicContact CG2-CG2 3.69Å; I179-D315 HydrophobicContact CD1-CB 3.83Å
180P96.9Very high97.8Very high80 Ų8057.2 Ų57.252%0.51929%0.286SS..  trans-55.1135.3175.6-25.534000110.7L178 G182 I183 T184L178-P180 WeakPolarHBondContact O-CD 3.42Å; P180-G182 PolarHBondContact O-N 3.44Å; P180-G182 VanDerWaalsContact O-N 3.07Å; P180-I183 HydrophobicContact CB-CG1 4.15Å; P180-I183 HydrophobicContact CG-CG1 4.27Å; P180-I183 WeakPolarHBondContact O-CA 3.48Å; P180-I183 WeakPolarHBondContact O-CB 3.39Å; P180-I183 PolarHBondContact O-N 3.01Å; P180-T184 PolarHBondContact O-N 2.96Å
181M97.2Very high97.9Very high75 Ų7557.2 Ų57.237%0.36928%0.28SS..Hα-helixtrans-55.7-34.2-176-69.6-171.2-83.700112.8I179 I183 T184 S185 M317 F348I179-M181 PolarHBondContact O-N 2.83Å; M181-I183 VanDerWaalsContact C-N 3.3Å; M181-I183 PolarHBondContact O-N 2.64Å; M181-T184 PolarHBondContact O-N 2.73Å; M181-T184 VanDerWaalsContact O-N 3.12Å; M181-T184 PolarHBondContact O-OG1 3.29Å; M181-S185 PolarHBondContact O-N 3.43Å; M181-M317 HydrophobicContact CB-CE 3.94Å; M181-M317 HydrophobicContact CG-CE 3.93Å; M181-M317 HydrophobicContact SD-CE 4.09Å; M181-F348 HydrophobicContact CB-CE2 4.03Å; M181-F348 HydrophobicContact CB-CZ 4.01Å
182G97.5Very high97.9Very high2 Ų253.9 Ų53.92%0.02127%0.266CS..Hα-helixtrans-62.3-32.2173.300000114.3P180 S185 E186 F264P180-G182 PolarHBondContact O-N 3.44Å; P180-G182 VanDerWaalsContact O-N 3.07Å; G182-S185 VanDerWaalsContact O-CB 3.28Å; G182-S185 WeakPolarHBondContact O-CB 3.25Å; G182-S185 PolarHBondContact O-N 3.17Å; G182-E186 PolarHBondContact O-N 3.08Å; G182-F264 VanDerWaalsContact CA-CD2 3.46Å
183I98.6Very high97.9Very high47 Ų4750.8 Ų50.824%0.24127%0.267CS..Hα-helixtrans-71.6-36.2172.5-61.7-63.5000110.8I179 P180 M181 S185 E186 N187 F264 K265I179-I183 HydrophobicContact CG2-CB 3.73Å; I179-I183 HydrophobicContact CG2-CG2 3.69Å; P180-I183 HydrophobicContact CB-CG1 4.15Å; P180-I183 HydrophobicContact CG-CG1 4.27Å; P180-I183 WeakPolarHBondContact O-CA 3.48Å; P180-I183 WeakPolarHBondContact O-CB 3.39Å; P180-I183 PolarHBondContact O-N 3.01Å; M181-I183 VanDerWaalsContact C-N 3.3Å; M181-I183 PolarHBondContact O-N 2.64Å; I183-S185 PolarHBondContact O-N 3.27Å; I183-E186 WeakPolarHBondContact O-CB 3.29Å; I183-E186 PolarHBondContact O-N 3.17Å; I183-N187 VanDerWaalsContact O-CG 3.26Å; I183-N187 PolarHBondContact O-N 3.15Å; I183-N187 PolarHBondContact O-OD1 3.07Å; I183-F264 HydrophobicContact CD1-CB 3.86Å; I183-F264 HydrophobicContact CG1-CB 4.48Å; I183-K265 HydrophobicContact CD1-CB 4.41Å
184T98.5Very high98Very high4 Ų446.4 Ų46.43%0.02525%0.249CC..Hα-helixtrans-64.3-29.6172.675.60000112.2I179 P180 M181 N187 V188 P314 D315 M317I179-T184 HydrophobicContact CB-CG2 4.25Å; I179-T184 HydrophobicContact CG2-CG2 3.69Å; P180-T184 PolarHBondContact O-N 2.96Å; M181-T184 PolarHBondContact O-N 2.73Å; M181-T184 VanDerWaalsContact O-N 3.12Å; M181-T184 PolarHBondContact O-OG1 3.29Å; T184-N187 PolarHBondContact O-N 2.93Å; T184-V188 VanDerWaalsContact O-CG2 3.31Å; T184-V188 WeakPolarHBondContact O-CG2 3.27Å; T184-V188 PolarHBondContact O-N 2.84Å; T184-P314 WeakPolarHBondContact CG2-O 3.46Å; T184-D315 WeakPolarHBondContact CA-O 3.46Å; T184-D315 WeakPolarHBondContact CB-O 3.36Å; T184-M317 HydrophobicContact CG2-CG 4.32Å; T184-M317 WeakPolarHBondContact OG1-CE 3.44Å
185S98.7Very high98Very high1 Ų147.4 Ų47.41%0.00725%0.253CS..Hα-helixtrans-64.4-43.7172.4178.60000111.5M181 G182 I183 V188 A189 T270 F348 S350M181-S185 PolarHBondContact O-N 3.43Å; G182-S185 VanDerWaalsContact O-CB 3.28Å; G182-S185 WeakPolarHBondContact O-CB 3.25Å; G182-S185 PolarHBondContact O-N 3.17Å; I183-S185 PolarHBondContact O-N 3.27Å; S185-V188 PolarHBondContact O-N 2.9Å; S185-A189 WeakPolarHBondContact O-CB 3.44Å; S185-A189 PolarHBondContact O-N 2.85Å; S185-T270 WeakPolarHBondContact CB-OG1 3.45Å; S185-T270 PolarHBondContact OG-OG1 2.93Å; S185-F348 VanDerWaalsContact CB-CG 3.45Å; S185-F348 WeakPolarHBondContact OG-CB 3.33Å; S185-F348 VanDerWaalsContact OG-CG 3.29Å; S185-F348 WeakPolarHBondContact OG-CG 2.91Å; S185-S350 WeakPolarHBondContact CA-OG 3.12Å; S185-S350 PolarHBondContact O-OG 2.84Å; S185-S350 PolarHBondContact OG-OG 2.84Å
186E98.7Very high98.1Very high2 Ų244.8 Ų44.81%0.00924%0.243CC..Hα-helixtrans-64.1-44.4173.3-59.4-66-174.100111.3G182 I183 V188 A189 E190 K265 G268 S269 T270G182-E186 PolarHBondContact O-N 3.08Å; I183-E186 WeakPolarHBondContact O-CB 3.29Å; I183-E186 PolarHBondContact O-N 3.17Å; E186-V188 VanDerWaalsContact C-N 3.31Å; E186-V188 PolarHBondContact O-N 2.95Å; E186-A189 WeakPolarHBondContact O-CB 3.48Å; E186-A189 PolarHBondContact O-N 3.21Å; E186-A189 VanDerWaalsContact O-N 3.08Å; E186-E190 WeakPolarHBondContact O-CB 3.48Å; E186-E190 WeakPolarHBondContact O-CG 3.37Å; E186-E190 PolarHBondContact O-N 2.75Å; E186-K265 HydrophobicContact CG-CB 4.25Å; E186-G268 WeakPolarHBondContact OE1-CA 3.48Å; E186-S269 VanDerWaalsContact CD-N 3.3Å; E186-S269 PolarHBondContact OE1-N 3.49Å; E186-S269 PolarHBondContact OE2-N 3.47Å; E186-S269 PolarHBondContact OE2-OG 3.37Å; E186-T270 VanDerWaalsContact CD-OG1 3.32Å; E186-T270 VanDerWaalsContact OE1-CB 3.25Å; E186-T270 WeakPolarHBondContact OE1-CB 3.38Å; E186-T270 PolarHBondContact OE1-N 3.08Å; E186-T270 PolarHBondContact OE1-OG1 3.26Å; E186-T270 PolarHBondContact OE2-N 3.3Å
187N98.7Very high98.1Very high31 Ų3150.3 Ų50.317%0.16627%0.268CS..Hα-helixtrans-59-41.6178.1-67.7-15.5000112.1I183 T184 R191 D315 I316I183-N187 VanDerWaalsContact O-CG 3.26Å; I183-N187 PolarHBondContact O-N 3.15Å; I183-N187 PolarHBondContact O-OD1 3.07Å; T184-N187 PolarHBondContact O-N 2.93Å; N187-R191 WeakPolarHBondContact O-CB 3.23Å; N187-R191 PolarHBondContact O-N 3.42Å; N187-D315 WeakPolarHBondContact CB-O 3.28Å; N187-D315 PolarHBondContact ND2-O 3.33Å; N187-I316 HydrophobicContact CB-CG2 3.81Å
188V98.8Very high98.2Very high0 Ų051.4 Ų51.40%027%0.267CS..Hα-helixtrans-65.4-44174.61700000110.6T184 S185 E186 F192 I316 I319 Q351 Y354T184-V188 VanDerWaalsContact O-CG2 3.31Å; T184-V188 WeakPolarHBondContact O-CG2 3.27Å; T184-V188 PolarHBondContact O-N 2.84Å; S185-V188 PolarHBondContact O-N 2.9Å; E186-V188 VanDerWaalsContact C-N 3.31Å; E186-V188 PolarHBondContact O-N 2.95Å; V188-F192 HydrophobicContact CB-CD2 4.43Å; V188-F192 HydrophobicContact CG1-CD2 3.94Å; V188-F192 HydrophobicContact CG1-CE2 4.45Å; V188-F192 VanDerWaalsContact O-CD2 3.29Å; V188-F192 WeakPolarHBondContact O-CD2 3.34Å; V188-F192 PolarHBondContact O-N 2.98Å; V188-F192 VanDerWaalsContact O-N 3.11Å; V188-I316 HydrophobicContact CG2-CB 3.84Å; V188-I316 HydrophobicContact CG2-CG2 3.94Å; V188-I319 HydrophobicContact CG2-CG2 4.21Å; V188-Q351 HydrophobicContact CG1-CB 4.19Å; V188-Y354 HydrophobicContact CG1-CG 4.33Å
189A98.8Very high98.3Very high5 Ų547.3 Ų47.34%0.04125%0.246CC..Hα-helixtrans-61.2-48.1179.100000112.1S185 E186 G193 I194S185-A189 WeakPolarHBondContact O-CB 3.44Å; S185-A189 PolarHBondContact O-N 2.85Å; E186-A189 WeakPolarHBondContact O-CB 3.48Å; E186-A189 PolarHBondContact O-N 3.21Å; E186-A189 VanDerWaalsContact O-N 3.08Å; A189-G193 WeakPolarHBondContact O-CA 3.43Å; A189-G193 PolarHBondContact O-N 3.46Å; A189-I194 HydrophobicContact CB-CB 4.45Å; A189-I194 PolarHBondContact O-N 3.16Å
190E98.5Very high98.4Very high107 Ų10745.4 Ų45.450%0.524%0.236SC..Hα-helixtrans-66.3-47.3179.6-70176-175.700111.5E186 F192 K265E186-E190 WeakPolarHBondContact O-CB 3.48Å; E186-E190 WeakPolarHBondContact O-CG 3.37Å; E186-E190 PolarHBondContact O-N 2.75Å; E190-F192 PolarHBondContact O-N 3.26Å; E190-K265 IonicContact OE1-NZ 2.7Å; E190-K265 PolarHBondContact OE1-NZ 3.5Å; E190-K265 IonicContact OE2-NZ 2.76Å; E190-K265 PolarHBondContact OE2-NZ 2.98Å
191R98.6Very high98.5Very high133 Ų13345 Ų4550%0.50223%0.232SC..Hα-helixtrans-70.7-29.2-174.1-169163-62.6150.67113.8N187 D315N187-R191 WeakPolarHBondContact O-CB 3.23Å; N187-R191 PolarHBondContact O-N 3.42Å; R191-D315 IonicContact CZ-OD2 3.5Å; R191-D315 IonicContact NH1-OD2 2.76Å; R191-D315 PolarHBondContact NH1-OD2 2.83Å; R191-D315 IonicContact NH2-OD2 3.43Å
192F98.6Very high98.6Very high72 Ų7243.3 Ų43.332%0.31622%0.223SC..Hα-helixtrans-115.49.3-176.5-54.4-66.4000113.7V188 E190 I194 I316 I319 Y354V188-F192 HydrophobicContact CB-CD2 4.43Å; V188-F192 HydrophobicContact CG1-CD2 3.94Å; V188-F192 HydrophobicContact CG1-CE2 4.45Å; V188-F192 VanDerWaalsContact O-CD2 3.29Å; V188-F192 WeakPolarHBondContact O-CD2 3.34Å; V188-F192 PolarHBondContact O-N 2.98Å; V188-F192 VanDerWaalsContact O-N 3.11Å; E190-F192 PolarHBondContact O-N 3.26Å; F192-I194 HydrophobicContact CB-CG1 4.39Å; F192-I316 HydrophobicContact CE2-CD1 4.44Å; F192-I316 HydrophobicContact CZ-CD1 4.26Å; F192-I319 HydrophobicContact CD2-CG2 4.46Å; F192-I319 HydrophobicContact CE2-CG2 3.62Å; F192-I319 HydrophobicContact CZ-CG2 4.14Å; F192-Y354 HydrophobicContact CB-CD2 3.59Å; F192-Y354 HydrophobicContact CB-CE2 3.86Å; F192-Y354 HydrophobicContact CD1-CD2 4.21Å; F192-Y354 AromaticContact CD1-CE2 3.56Å; F192-Y354 HydrophobicContact CD1-CE2 3.56Å; F192-Y354 AromaticContact CD2-CD2 3.75Å; F192-Y354 HydrophobicContact CD2-CD2 3.75Å; F192-Y354 AromaticContact CD2-CE2 3.66Å; F192-Y354 HydrophobicContact CD2-CE2 3.66Å; F192-Y354 HydrophobicContact CD2-CG 4.31Å; F192-Y354 AromaticContact CE1-CE2 3.95Å; F192-Y354 HydrophobicContact CE1-CE2 3.95Å; F192-Y354 HydrophobicContact CE2-CD2 4.48Å; F192-Y354 HydrophobicContact CE2-CE2 4.05Å; F192-Y354 AromaticContact CG-CD2 3.58Å; F192-Y354 HydrophobicContact CG-CD2 3.58Å; F192-Y354 AromaticContact CG-CE2 3.39Å; F192-Y354 HydrophobicContact CG-CE2 3.39Å; F192-Y354 HydrophobicContact CZ-CE2 4.18Å
193G98.2Very high98.6Very high59 Ų5943.2 Ų43.261%0.60822%0.222SC*.THydrogen-bonded Turntrans66.938.3173.500000114.3A189 S195A189-G193 WeakPolarHBondContact O-CA 3.43Å; A189-G193 PolarHBondContact O-N 3.46Å; G193-S195 PolarHBondContact O-N 3.34Å
194I98.7Very high98.7Very high6 Ų642.3 Ų42.33%0.03122%0.217CC..  trans-88.195.8178.9-46.9-59000109.6A189 F192 K198 Q199 A353A189-I194 HydrophobicContact CB-CB 4.45Å; A189-I194 PolarHBondContact O-N 3.16Å; F192-I194 HydrophobicContact CB-CG1 4.39Å; I194-K198 HydrophobicContact CG2-CB 4.47Å; I194-K198 HydrophobicContact CG2-CD 4.12Å; I194-K198 HydrophobicContact CG2-CG 4.4Å; I194-Q199 HydrophobicContact CG2-CG 3.97Å; I194-Q199 PolarHBondContact O-NE2 3.33Å; I194-A353 HydrophobicContact CG2-CB 4.08Å
195S98.5Very high98.7Very high58 Ų5844 Ų4441%0.40623%0.232SC..  trans-59.8155.6-17673.20000113.6G193 E197 K198 Q199G193-S195 PolarHBondContact O-N 3.34Å; S195-E197 VanDerWaalsContact C-N 3.28Å; S195-E197 PolarHBondContact O-N 3.18Å; S195-K198 WeakPolarHBondContact O-CB 3.5Å; S195-K198 PolarHBondContact O-N 3.42Å; S195-K198 VanDerWaalsContact O-N 3.14Å; S195-K198 WeakPolarHBondContact OG-CB 3.5Å; S195-K198 PolarHBondContact OG-N 2.73Å; S195-Q199 WeakPolarHBondContact O-CG 3.49Å; S195-Q199 PolarHBondContact O-N 3.46Å
196R98.5Very high98.7Very high59 Ų5943.9 Ų43.922%0.22323%0.231CC..Hα-helixtrans-54.3-43.4172.6172.158.7180-80.4-5.7112.4K198 Q199 D200 L257 A258 L260 S269 T271R196-K198 VanDerWaalsContact C-N 3.32Å; R196-K198 PolarHBondContact O-N 3.12Å; R196-Q199 WeakPolarHBondContact O-CB 3.46Å; R196-Q199 PolarHBondContact O-N 3.43Å; R196-D200 IonicContact CZ-OD2 3.83Å; R196-D200 IonicContact NE-OD1 3.58Å; R196-D200 PolarHBondContact NE-OD1 2.85Å; R196-D200 VanDerWaalsContact NE-OD1 3.1Å; R196-D200 IonicContact NE-OD2 2.74Å; R196-D200 PolarHBondContact NE-OD2 3.14Å; R196-D200 IonicContact NH2-OD2 3.15Å; R196-D200 PolarHBondContact NH2-OD2 2.94Å; R196-D200 PolarHBondContact O-N 3Å; R196-L257 PolarHBondContact NH2-O 3.05Å; R196-A258 PolarHBondContact NH2-O 3.46Å; R196-L260 PolarHBondContact NH1-O 3.11Å; R196-L260 PolarHBondContact NH2-O 2.87Å; R196-S269 WeakPolarHBondContact CD-O 3.43Å; R196-T271 VanDerWaalsContact CZ-CG2 3.42Å
197E98.6Very high98.7Very high137 Ų13744.4 Ų44.464%0.6423%0.234SC*.Hα-helixtrans-60.5-41.6177.8-175.7-178.3-174.700112S195 Q199 D200 T201 M254S195-E197 VanDerWaalsContact C-N 3.28Å; S195-E197 PolarHBondContact O-N 3.18Å; E197-Q199 VanDerWaalsContact C-N 3.35Å; E197-D200 PolarHBondContact O-N 3.26Å; E197-T201 VanDerWaalsContact O-CB 3.27Å; E197-T201 WeakPolarHBondContact O-CB 3.3Å; E197-T201 PolarHBondContact O-N 3.22Å; E197-T201 PolarHBondContact O-OG1 3.48Å; E197-M254 HydrophobicContact CB-CE 4.47Å; E197-M254 HydrophobicContact CG-CE 3.89Å
198K98.6Very high98.7Very high74 Ų7447.3 Ų47.332%0.32225%0.246SC..Hα-helixtrans-65.4-39.9177.3-170.6175.9-76.7-173.20111.4I194 S195 R196 F202 A353 E357I194-K198 HydrophobicContact CG2-CB 4.47Å; I194-K198 HydrophobicContact CG2-CD 4.12Å; I194-K198 HydrophobicContact CG2-CG 4.4Å; S195-K198 WeakPolarHBondContact O-CB 3.5Å; S195-K198 PolarHBondContact O-N 3.42Å; S195-K198 VanDerWaalsContact O-N 3.14Å; S195-K198 WeakPolarHBondContact OG-CB 3.5Å; S195-K198 PolarHBondContact OG-N 2.73Å; R196-K198 VanDerWaalsContact C-N 3.32Å; R196-K198 PolarHBondContact O-N 3.12Å; K198-F202 WeakPolarHBondContact O-CB 3.4Å; K198-F202 PolarHBondContact O-N 3.25Å; K198-A353 HydrophobicContact CG-CB 4.41Å; K198-E357 VanDerWaalsContact CD-OE1 3.26Å; K198-E357 WeakPolarHBondContact CD-OE1 3.49Å; K198-E357 WeakPolarHBondContact CE-OE1 3.28Å; K198-E357 VanDerWaalsContact NZ-CD 3.25Å; K198-E357 IonicContact NZ-OE1 2.63Å; K198-E357 PolarHBondContact NZ-OE1 3.42Å; K198-E357 IonicContact NZ-OE2 3.1Å; K198-E357 PolarHBondContact NZ-OE2 2.94Å
199Q98.8Very high98.7Very high0 Ų049 Ų490%025%0.253CS..Hα-helixtrans-63.2-48.1175.3-67.3179.257.100112.1I194 S195 R196 E197 F202 A203 S269 N274 A349I194-Q199 HydrophobicContact CG2-CG 3.97Å; I194-Q199 PolarHBondContact O-NE2 3.33Å; S195-Q199 WeakPolarHBondContact O-CG 3.49Å; S195-Q199 PolarHBondContact O-N 3.46Å; R196-Q199 WeakPolarHBondContact O-CB 3.46Å; R196-Q199 PolarHBondContact O-N 3.43Å; E197-Q199 VanDerWaalsContact C-N 3.35Å; Q199-F202 PolarHBondContact O-N 2.95Å; Q199-A203 PolarHBondContact O-N 3.31Å; Q199-S269 VanDerWaalsContact NE2-CB 3.3Å; Q199-S269 PolarHBondContact NE2-OG 3.07Å; Q199-N274 HydrophobicContact CB-CB 4.24Å; Q199-A349 HydrophobicContact CB-CB 3.83Å; Q199-A349 HydrophobicContact CG-CB 4.26Å; Q199-A349 WeakPolarHBondContact O-CB 3.22Å
200D98.8Very high98.7Very high1 Ų148.8 Ų48.81%0.00525%0.251CS..Hα-helixtrans-69.6-35.6-179.2-72.42.4000111.7R196 E197 F202 A203 L204 M254 L257 A258 N274R196-D200 IonicContact CZ-OD2 3.83Å; R196-D200 IonicContact NE-OD1 3.58Å; R196-D200 PolarHBondContact NE-OD1 2.85Å; R196-D200 VanDerWaalsContact NE-OD1 3.1Å; R196-D200 IonicContact NE-OD2 2.74Å; R196-D200 PolarHBondContact NE-OD2 3.14Å; R196-D200 IonicContact NH2-OD2 3.15Å; R196-D200 PolarHBondContact NH2-OD2 2.94Å; R196-D200 PolarHBondContact O-N 3Å; E197-D200 PolarHBondContact O-N 3.26Å; D200-F202 PolarHBondContact O-N 3.27Å; D200-A203 PolarHBondContact O-N 2.91Å; D200-L204 WeakPolarHBondContact O-CB 3.47Å; D200-L204 PolarHBondContact O-N 2.95Å; D200-M254 HydrophobicContact CB-CE 3.54Å; D200-M254 HydrophobicContact CB-SD 3.86Å; D200-L257 HydrophobicContact CB-CB 3.99Å; D200-L257 HydrophobicContact CB-CD1 4.17Å; D200-L257 VanDerWaalsContact O-CD1 3.27Å; D200-L257 WeakPolarHBondContact O-CD1 3.39Å; D200-A258 PolarHBondContact OD2-N 2.86Å; D200-N274 PolarHBondContact OD1-ND2 3.08Å
201T98.8Very high98.7Very high73 Ų7344.6 Ų44.645%0.44824%0.236SC..Hα-helixtrans-61.4-44.5173.2-610000111.2E197 L204 A205E197-T201 VanDerWaalsContact O-CB 3.27Å; E197-T201 WeakPolarHBondContact O-CB 3.3Å; E197-T201 PolarHBondContact O-N 3.22Å; E197-T201 PolarHBondContact O-OG1 3.48Å; T201-L204 PolarHBondContact O-N 3.15Å; T201-A205 WeakPolarHBondContact O-CB 3.25Å; T201-A205 PolarHBondContact O-N 2.97Å
202F98.7Very high98.7Very high38 Ų3844.3 Ų44.317%0.16723%0.234CC..Hα-helixtrans-61.6-44.7176.2-169.2-77.5000111.3K198 Q199 D200 A205 S206 E346 A349 A352 A353 V356K198-F202 WeakPolarHBondContact O-CB 3.4Å; K198-F202 PolarHBondContact O-N 3.25Å; Q199-F202 PolarHBondContact O-N 2.95Å; D200-F202 PolarHBondContact O-N 3.27Å; F202-A205 PolarHBondContact O-N 3.46Å; F202-S206 PolarHBondContact O-N 3.03Å; F202-E346 HydrophobicContact CE1-CB 4.41Å; F202-E346 HydrophobicContact CE1-CG 3.82Å; F202-E346 WeakPolarHBondContact CE1-OE1 3.32Å; F202-E346 HydrophobicContact CZ-CG 4.37Å; F202-A349 HydrophobicContact CB-CB 4.26Å; F202-A349 HydrophobicContact CD1-CB 4.28Å; F202-A352 HydrophobicContact CD1-CB 4.43Å; F202-A352 HydrophobicContact CE1-CB 3.71Å; F202-A352 HydrophobicContact CE2-CB 4.17Å; F202-A352 HydrophobicContact CZ-CB 3.57Å; F202-A353 HydrophobicContact CD2-CB 4.19Å; F202-V356 HydrophobicContact CE2-CG2 4.42Å
203A98.8Very high98.7Very high1 Ų141 Ų411%0.00822%0.22CC..Hα-helixtrans-62.3-44.2177.900000112.8Q199 D200 S206 Q207 L257 G273 N274 V373Q199-A203 PolarHBondContact O-N 3.31Å; D200-A203 PolarHBondContact O-N 2.91Å; A203-S206 WeakPolarHBondContact O-CB 3.35Å; A203-S206 PolarHBondContact O-N 2.86Å; A203-Q207 PolarHBondContact O-N 3.22Å; A203-L257 HydrophobicContact CB-CD1 4.15Å; A203-G273 WeakPolarHBondContact CB-O 3.17Å; A203-N274 HydrophobicContact CB-CB 4.01Å; A203-V373 HydrophobicContact CB-CG1 3.78Å
204L98.8Very high98.7Very high27 Ų2740.3 Ų40.314%0.14120%0.201CC..Hα-helixtrans-60.6-46.3176.1-179.660.9000111.1D200 T201 S206 Q207 Q208 T252 M254 L257D200-L204 WeakPolarHBondContact O-CB 3.47Å; D200-L204 PolarHBondContact O-N 2.95Å; T201-L204 PolarHBondContact O-N 3.15Å; L204-S206 VanDerWaalsContact C-N 3.29Å; L204-S206 PolarHBondContact O-N 3.12Å; L204-Q207 PolarHBondContact O-N 2.84Å; L204-Q208 HydrophobicContact CD1-CG 4.18Å; L204-Q208 HydrophobicContact CG-CG 4.42Å; L204-Q208 WeakPolarHBondContact O-CB 3.28Å; L204-Q208 VanDerWaalsContact O-CG 3.28Å; L204-Q208 WeakPolarHBondContact O-CG 3.16Å; L204-Q208 PolarHBondContact O-N 2.96Å; L204-T252 HydrophobicContact CD1-CG2 4.16Å; L204-T252 WeakPolarHBondContact CD1-O 3.48Å; L204-M254 HydrophobicContact CD2-CB 4.18Å; L204-L257 HydrophobicContact CB-CD1 3.96Å
205A98.8Very high98.7Very high39 Ų3944.7 Ų44.732%0.32223%0.233SC..Hα-helixtrans-60.7-39.3177.100000111.9T201 F202 K209T201-A205 WeakPolarHBondContact O-CB 3.25Å; T201-A205 PolarHBondContact O-N 2.97Å; F202-A205 PolarHBondContact O-N 3.46Å; A205-K209 WeakPolarHBondContact O-CB 3.37Å; A205-K209 WeakPolarHBondContact O-CE 3.22Å; A205-K209 VanDerWaalsContact O-CG 3.26Å; A205-K209 WeakPolarHBondContact O-CG 3.5Å; A205-K209 PolarHBondContact O-N 3.15Å
206S98.9Very high98.7Very high0 Ų049.8 Ų49.80%025%0.247CC..Hα-helixtrans-61.9-50.3175.3-175.20000111.9F202 A203 L204 Q208 K209 A210 E346 G370 G371F202-S206 PolarHBondContact O-N 3.03Å; A203-S206 WeakPolarHBondContact O-CB 3.35Å; A203-S206 PolarHBondContact O-N 2.86Å; L204-S206 VanDerWaalsContact C-N 3.29Å; L204-S206 PolarHBondContact O-N 3.12Å; S206-Q208 PolarHBondContact O-N 2.85Å; S206-K209 PolarHBondContact O-N 3.24Å; S206-A210 WeakPolarHBondContact O-CB 3.45Å; S206-A210 PolarHBondContact O-N 3.28Å; S206-E346 VanDerWaalsContact CB-OE2 3.31Å; S206-E346 WeakPolarHBondContact CB-OE2 3.47Å; S206-E346 PolarHBondContact OG-OE1 2.93Å; S206-E346 PolarHBondContact OG-OE2 3.47Å; S206-G370 WeakPolarHBondContact O-CA 3.5Å; S206-G371 PolarHBondContact OG-N 3Å
207Q98.8Very high98.7Very high13 Ų1347.8 Ų47.86%0.06125%0.245CC..Hα-helixtrans-60-43.6177.7-76.5-72.85.700112.6A203 L204 A210 A211 G247 T252 A374A203-Q207 PolarHBondContact O-N 3.22Å; L204-Q207 PolarHBondContact O-N 2.84Å; Q207-A210 PolarHBondContact O-N 3.28Å; Q207-A211 WeakPolarHBondContact O-CB 3.45Å; Q207-A211 PolarHBondContact O-N 2.84Å; Q207-G247 PolarHBondContact NE2-O 3.47Å; Q207-T252 HydrophobicContact CB-CG2 4.5Å; Q207-T252 HydrophobicContact CG-CG2 4.25Å; Q207-A374 HydrophobicContact CG-CB 4.16Å
208Q98.8Very high98.7Very high91 Ų9142 Ų4243%0.42522%0.22SC..Hα-helixtrans-66.6-42178.7-72.1178.1-7.900112.5L204 S206 R212L204-Q208 HydrophobicContact CD1-CG 4.18Å; L204-Q208 HydrophobicContact CG-CG 4.42Å; L204-Q208 WeakPolarHBondContact O-CB 3.28Å; L204-Q208 VanDerWaalsContact O-CG 3.28Å; L204-Q208 WeakPolarHBondContact O-CG 3.16Å; L204-Q208 PolarHBondContact O-N 2.96Å; S206-Q208 PolarHBondContact O-N 2.85Å; Q208-R212 WeakPolarHBondContact O-CG 3.49Å; Q208-R212 PolarHBondContact O-N 3.45Å; Q208-R212 VanDerWaalsContact O-N 3.11Å
209K98.8Very high98.7Very high36 Ų3638.8 Ų38.816%0.15721%0.206CC..Hα-helixtrans-62.4-46175.2-75.2-178.8-65.6175.10110.9A205 S206 R212 A213 V366 N367 G370A205-K209 WeakPolarHBondContact O-CB 3.37Å; A205-K209 WeakPolarHBondContact O-CE 3.22Å; A205-K209 VanDerWaalsContact O-CG 3.26Å; A205-K209 WeakPolarHBondContact O-CG 3.5Å; A205-K209 PolarHBondContact O-N 3.15Å; S206-K209 PolarHBondContact O-N 3.24Å; K209-R212 VanDerWaalsContact CG-NH2 3.31Å; K209-R212 PolarHBondContact O-N 3.19Å; K209-A213 WeakPolarHBondContact O-CB 3.38Å; K209-A213 PolarHBondContact O-N 2.93Å; K209-V366 PolarHBondContact NZ-O 2.89Å; K209-N367 WeakPolarHBondContact CD-O 3.49Å; K209-N367 WeakPolarHBondContact CE-O 3.48Å; K209-N367 PolarHBondContact NZ-O 3.45Å; K209-G370 VanDerWaalsContact CB-N 3.34Å
210A98.9Very high98.7Very high0 Ų046.2 Ų46.20%024%0.241CC..Hα-helixtrans-62.1-44.917800000112.6S206 Q207 R212 A213 Q214 I248 L369 A374 L375S206-A210 WeakPolarHBondContact O-CB 3.45Å; S206-A210 PolarHBondContact O-N 3.28Å; Q207-A210 PolarHBondContact O-N 3.28Å; A210-R212 VanDerWaalsContact C-N 3.34Å; A210-R212 PolarHBondContact O-N 3.01Å; A210-A213 PolarHBondContact O-N 2.97Å; A210-Q214 WeakPolarHBondContact O-CB 3.28Å; A210-Q214 PolarHBondContact O-N 2.67Å; A210-I248 HydrophobicContact CB-CD1 3.83Å; A210-I248 HydrophobicContact CB-CG1 3.95Å; A210-I248 HydrophobicContact CB-CG2 4.18Å; A210-L369 WeakPolarHBondContact CA-O 3.46Å; A210-L369 PolarHBondContact N-O 2.81Å; A210-A374 HydrophobicContact CB-CB 3.51Å; A210-L375 HydrophobicContact CB-CD2 4.28Å
211A98.8Very high98.7Very high20 Ų2049 Ų4917%0.16526%0.264CS..Hα-helixtrans-59.5-43.8176.500000112.2Q207 S215 I248 P250Q207-A211 WeakPolarHBondContact O-CB 3.45Å; Q207-A211 PolarHBondContact O-N 2.84Å; A211-S215 WeakPolarHBondContact O-CB 3.31Å; A211-S215 PolarHBondContact O-N 3.39Å; A211-S215 PolarHBondContact O-OG 2.93Å; A211-I248 HydrophobicContact CB-CG2 3.93Å; A211-P250 HydrophobicContact CB-CB 4.12Å; A211-P250 HydrophobicContact CB-CG 3.97Å
212R98.8Very high98.6Very high126 Ų12645.5 Ų45.548%0.47524%0.242SC..Hα-helixtrans-66.8-39175.5-71-172.6-59.7-97.91.9112.7Q208 K209 A210 S215 K216Q208-R212 WeakPolarHBondContact O-CG 3.49Å; Q208-R212 PolarHBondContact O-N 3.45Å; Q208-R212 VanDerWaalsContact O-N 3.11Å; K209-R212 VanDerWaalsContact CG-NH2 3.31Å; K209-R212 PolarHBondContact O-N 3.19Å; A210-R212 VanDerWaalsContact C-N 3.34Å; A210-R212 PolarHBondContact O-N 3.01Å; R212-S215 PolarHBondContact O-OG 2.77Å; R212-S215 VanDerWaalsContact O-OG 3.05Å; R212-K216 WeakPolarHBondContact O-CB 3.5Å; R212-K216 VanDerWaalsContact O-CG 3.28Å; R212-K216 WeakPolarHBondContact O-CG 3.28Å; R212-K216 PolarHBondContact O-N 2.93Å; R212-K216 VanDerWaalsContact O-N 3.08Å
213A98.8Very high98.7Very high3 Ų344.2 Ų44.23%0.02524%0.237CC..Hα-helixtrans-67.6-43.3179.300000111.3K209 A210 K216 G217 C218 F219 L369K209-A213 WeakPolarHBondContact O-CB 3.38Å; K209-A213 PolarHBondContact O-N 2.93Å; A210-A213 PolarHBondContact O-N 2.97Å; A213-K216 PolarHBondContact O-N 2.73Å; A213-G217 PolarHBondContact O-N 2.97Å; A213-C218 HydrophobicContact CB-CB 4.07Å; A213-C218 WeakPolarHBondContact O-CB 3.39Å; A213-C218 PolarHBondContact O-N 2.87Å; A213-F219 HydrophobicContact CB-CE1 4.28Å; A213-F219 HydrophobicContact CB-CE2 3.79Å; A213-F219 HydrophobicContact CB-CZ 3.57Å; A213-L369 HydrophobicContact CB-CB 3.84Å; A213-L369 HydrophobicContact CB-CD2 3.9Å; A213-L369 HydrophobicContact CB-CG 4.39Å
214Q98.6Very high98.7Very high45 Ų4545 Ų4521%0.2124%0.242CC..Hα-helixtrans-64-43.5176-174.9162.5-80.300111.5A210 K216 G217 F219 I248A210-Q214 WeakPolarHBondContact O-CB 3.28Å; A210-Q214 PolarHBondContact O-N 2.67Å; Q214-K216 VanDerWaalsContact C-N 3.31Å; Q214-K216 PolarHBondContact O-N 3Å; Q214-G217 PolarHBondContact O-N 2.86Å; Q214-G217 VanDerWaalsContact O-N 3.09Å; Q214-F219 HydrophobicContact CB-CD2 4.07Å; Q214-F219 HydrophobicContact CB-CE2 4.11Å; Q214-I248 HydrophobicContact CB-CD1 3.92Å; Q214-I248 HydrophobicContact CG-CD1 4.46Å
215S98.4Very high98.7Very high98 Ų9847.2 Ų47.269%0.68526%0.257SS*.Hα-helixtrans-67-30.4178.569.20000113.5A211 R212 G217A211-S215 WeakPolarHBondContact O-CB 3.31Å; A211-S215 PolarHBondContact O-N 3.39Å; A211-S215 PolarHBondContact O-OG 2.93Å; R212-S215 PolarHBondContact O-OG 2.77Å; R212-S215 VanDerWaalsContact O-OG 3.05Å; S215-G217 VanDerWaalsContact C-N 3.26Å; S215-G217 PolarHBondContact O-N 3.21Å
216K98.5Very high98.7Very high164 Ų16445.7 Ų45.771%0.71324%0.244SC*.THydrogen-bonded Turntrans-80.2-0.6173-71.6179.9178.8-172.20114R212 A213 Q214 C218R212-K216 WeakPolarHBondContact O-CB 3.5Å; R212-K216 VanDerWaalsContact O-CG 3.28Å; R212-K216 WeakPolarHBondContact O-CG 3.28Å; R212-K216 PolarHBondContact O-N 2.93Å; R212-K216 VanDerWaalsContact O-N 3.08Å; A213-K216 PolarHBondContact O-N 2.73Å; Q214-K216 VanDerWaalsContact C-N 3.31Å; Q214-K216 PolarHBondContact O-N 3Å; K216-C218 VanDerWaalsContact C-N 3.28Å; K216-C218 PolarHBondContact O-N 3.07Å
217G98.4Very high98.6Very high17 Ų1750.1 Ų50.118%0.17527%0.271CS..THydrogen-bonded Turntrans71.817-178.700000114.5A213 Q214 S215 F219 Q220A213-G217 PolarHBondContact O-N 2.97Å; Q214-G217 PolarHBondContact O-N 2.86Å; Q214-G217 VanDerWaalsContact O-N 3.09Å; S215-G217 VanDerWaalsContact C-N 3.26Å; S215-G217 PolarHBondContact O-N 3.21Å; G217-F219 PolarHBondContact O-N 2.86Å; G217-F219 VanDerWaalsContact O-N 3.07Å; G217-Q220 WeakPolarHBondContact O-CB 3.34Å; G217-Q220 WeakPolarHBondContact O-CG 3.41Å; G217-Q220 PolarHBondContact O-N 3.35Å
218C98.6Very high98.6Very high16 Ų1650.4 Ų50.411%0.10827%0.274CS..THydrogen-bonded Turntrans-58.1-27.2-177.5-64.10000113.1A213 K216 L369 R396A213-C218 HydrophobicContact CB-CB 4.07Å; A213-C218 WeakPolarHBondContact O-CB 3.39Å; A213-C218 PolarHBondContact O-N 2.87Å; K216-C218 VanDerWaalsContact C-N 3.28Å; K216-C218 PolarHBondContact O-N 3.07Å; C218-L369 HydrophobicContact CB-CD1 4.45Å; C218-L369 HydrophobicContact CB-CD2 4.4Å; C218-R396 PolarHBondContact O-NH1 3.14Å
219F98.8Very high98.5Very high6 Ų649 Ų493%0.02627%0.272CS..THydrogen-bonded Turntrans-91.8-5.9-179.2-53-48.5000114.3A213 Q214 G217 A221 E222 I223 I248 L369 L375 T389A213-F219 HydrophobicContact CB-CE1 4.28Å; A213-F219 HydrophobicContact CB-CE2 3.79Å; A213-F219 HydrophobicContact CB-CZ 3.57Å; Q214-F219 HydrophobicContact CB-CD2 4.07Å; Q214-F219 HydrophobicContact CB-CE2 4.11Å; G217-F219 PolarHBondContact O-N 2.86Å; G217-F219 VanDerWaalsContact O-N 3.07Å; F219-A221 VanDerWaalsContact C-N 3.32Å; F219-A221 PolarHBondContact O-N 2.75Å; F219-E222 HydrophobicContact CB-CG 4.18Å; F219-E222 HydrophobicContact CD1-CG 4.46Å; F219-E222 WeakPolarHBondContact CD1-OE1 2.9Å; F219-E222 VanDerWaalsContact O-CG 3.22Å; F219-E222 WeakPolarHBondContact O-CG 3.43Å; F219-E222 PolarHBondContact O-N 3.35Å; F219-I223 HydrophobicContact CB-CD1 3.79Å; F219-I223 HydrophobicContact CB-CG1 4.25Å; F219-I223 WeakPolarHBondContact O-CB 3.45Å; F219-I223 WeakPolarHBondContact O-CG1 3.43Å; F219-I223 PolarHBondContact O-N 3.09Å; F219-I248 HydrophobicContact CE2-CD1 4.24Å; F219-L369 HydrophobicContact CE1-CB 3.9Å; F219-L369 HydrophobicContact CE1-CD1 4Å; F219-L369 HydrophobicContact CZ-CB 3.98Å; F219-L375 HydrophobicContact CE2-CD2 4.11Å; F219-L375 HydrophobicContact CZ-CD2 4.05Å; F219-T389 HydrophobicContact CE1-CG2 4.44Å
220Q98.3Very high98.5Very high157 Ų15747.5 Ų47.573%0.73427%0.266SS*.THydrogen-bonded Turntrans-63.8-36.6-174.5-71178.8-4.100112.9G217G217-Q220 WeakPolarHBondContact O-CB 3.34Å; G217-Q220 WeakPolarHBondContact O-CG 3.41Å; G217-Q220 PolarHBondContact O-N 3.35Å
221A98Very high98.3Very high59 Ų5950.5 Ų50.549%0.48828%0.28SS..THydrogen-bonded Turntrans-72.1-30179.300000112.9R44 F219R44-A221 PolarHBondContact NE-O 3.1Å; F219-A221 VanDerWaalsContact C-N 3.32Å; F219-A221 PolarHBondContact O-N 2.75Å
222E98.7Very high97.8Very high0 Ų051.9 Ų51.90%028%0.284CS..THydrogen-bonded Turntrans-91.4-31.5-177.255.6-173.1-111.300113.1R44 R45 F219 I388 T389R44-E222 WeakPolarHBondContact CA-O 3.34Å; R44-E222 PolarHBondContact NE-O 3.11Å; R45-E222 HydrophobicContact CG-CB 4.32Å; R45-E222 HydrophobicContact CG-CG 4.48Å; R45-E222 WeakPolarHBondContact CG-O 3.49Å; R45-E222 IonicContact CZ-OE1 3.79Å; R45-E222 PolarHBondContact N-O 3.44Å; R45-E222 IonicContact NE-OE1 3.6Å; R45-E222 PolarHBondContact NE-OE1 3.01Å; R45-E222 IonicContact NH2-OE1 3.83Å; R45-E222 PolarHBondContact NH2-OE1 2.95Å; R45-E222 VanDerWaalsContact NH2-OE1 3.08Å; F219-E222 HydrophobicContact CB-CG 4.18Å; F219-E222 HydrophobicContact CD1-CG 4.46Å; F219-E222 WeakPolarHBondContact CD1-OE1 2.9Å; F219-E222 VanDerWaalsContact O-CG 3.22Å; F219-E222 WeakPolarHBondContact O-CG 3.43Å; F219-E222 PolarHBondContact O-N 3.35Å; E222-I388 HydrophobicContact CB-CG2 3.48Å; E222-I388 VanDerWaalsContact CB-CG2 3.48Å; E222-T389 PolarHBondContact OE1-OG1 2.84Å; E222-T389 WeakPolarHBondContact OE2-CA 3.25Å
223I98.9Very high97.3Very high11 Ų1154.4 Ų54.46%0.05631%0.307CS..EExtended strand (participates in β ladder)trans-78.7127.2-179.3-69.4175.4000111.1R44 R45 A47 F219R44-I223 PolarHBondContact NH2-O 3.47Å; R45-I223 HydrophobicContact CG-CG1 4.33Å; R45-I223 VanDerWaalsContact CZ-CG1 3.43Å; R45-I223 CarbonylContact O-C 3.59Å; R45-I223 VanDerWaalsContact O-CA 3.24Å; R45-I223 WeakPolarHBondContact O-CA 3.44Å; A47-I223 HydrophobicContact CB-CD1 4.42Å; A47-I223 HydrophobicContact CB-CG2 4.33Å; F219-I223 HydrophobicContact CB-CD1 3.79Å; F219-I223 HydrophobicContact CB-CG1 4.25Å; F219-I223 WeakPolarHBondContact O-CB 3.45Å; F219-I223 WeakPolarHBondContact O-CG1 3.43Å; F219-I223 PolarHBondContact O-N 3.09Å
224V98.9Very high97Very high18 Ų1863.2 Ų63.211%0.10935%0.345CS..EExtended strand (participates in β ladder)trans-90.6127.816064.60000109.6R45 V68 A71 V226R45-V224 PolarHBondContact O-N 3.41Å; V68-V224 HydrophobicContact CG1-CG1 3.77Å; A71-V224 HydrophobicContact CB-CB 4.02Å; A71-V224 HydrophobicContact CB-CG1 4.39Å; A71-V224 HydrophobicContact CB-CG2 3.74Å; V224-V226 PolarHBondContact O-N 2.99Å
225P98.7Very high96.6Very high72 Ų7263.5 Ų63.547%0.46836%0.359SS..PPolyproline II helixtrans-58.3132.1169.4-27.337.2000111.7T241 V242 T243P225-T241 HydrophobicContact CB-CG2 3.92Å; P225-V242 WeakPolarHBondContact CA-O 3.33Å; P225-T243 HydrophobicContact CB-CG2 3.97Å; P225-T243 HydrophobicContact CG-CG2 4.17Å
226V98.8Very high96.3Very high8 Ų862.7 Ų62.75%0.04835%0.35CS..EExtended strand (participates in β ladder)trans-112.8118.1175.9-179.60000109T46 F56 L64 A67 V224 T241 V242T46-V226 HydrophobicContact CG2-CG2 3.65Å; F56-V226 HydrophobicContact CE1-CB 3.76Å; F56-V226 HydrophobicContact CE1-CG1 3.83Å; F56-V226 HydrophobicContact CE1-CG2 4.37Å; F56-V226 HydrophobicContact CZ-CB 3.77Å; F56-V226 HydrophobicContact CZ-CG1 4.19Å; F56-V226 HydrophobicContact CZ-CG2 3.91Å; L64-V226 HydrophobicContact CD2-CG1 4.4Å; A67-V226 HydrophobicContact CB-CG2 3.98Å; V224-V226 PolarHBondContact O-N 2.99Å; V226-T241 CarbonylContact O-C 3.55Å; V226-T241 WeakPolarHBondContact O-CA 3.35Å; V226-V242 PolarHBondContact N-O 3.42Å; V226-V242 VanDerWaalsContact N-O 3.09Å; V226-V242 PolarHBondContact O-N 2.85Å
227T98.6Very high96.2Very high92 Ų9261.8 Ų61.856%0.56435%0.346SS*.EExtended strand (participates in β ladder)trans-91.7122.9171.4-59.30000108.7I240 T241T227-I240 WeakPolarHBondContact CA-O 3.37Å; T227-T241 PolarHBondContact OG1-OG1 2.96Å
228T98.3Very high96.1Very high19 Ų1967.8 Ų67.812%0.11736%0.364CS..EExtended strand (participates in β ladder)trans-146.6175.2-175.1-172.30000110.3F56 T59 S239 I240F56-T228 HydrophobicContact CD1-CG2 4.23Å; F56-T228 HydrophobicContact CE1-CG2 4.44Å; T59-T228 WeakPolarHBondContact OG1-CB 3.34Å; T59-T228 WeakPolarHBondContact OG1-CG2 3.43Å; T59-T228 PolarHBondContact OG1-OG1 3.23Å; T228-S239 WeakPolarHBondContact O-CA 3.27Å; T228-I240 HydrophobicContact CG2-CD1 4.35Å; T228-I240 HydrophobicContact CG2-CG1 3.93Å; T228-I240 PolarHBondContact N-O 2.79Å; T228-I240 PolarHBondContact O-N 2.79Å; T228-I240 VanDerWaalsContact O-O 3.13Å
229T97.2Very high96Very high63 Ų6371.2 Ų71.239%0.38739%0.388SS..EExtended strand (participates in β ladder)trans-108.8139.4173.858.70000111.6R238T229-R238 WeakPolarHBondContact CA-O 3.33Å
230V96.8Very high96Very high4 Ų473 Ų732%0.02440%0.397CS..EExtended strand (participates in β ladder)trans-120146.3167.8-63.70000110.6G55 D58 K237 R238 I240G55-V230 WeakPolarHBondContact O-CG1 3.24Å; D58-V230 VanDerWaalsContact OD2-CA 3.25Å; D58-V230 WeakPolarHBondContact OD2-CA 3.44Å; V230-K237 WeakPolarHBondContact O-CA 3.39Å; V230-R238 HydrophobicContact CG2-CG 3.55Å; V230-R238 PolarHBondContact N-O 3.34Å; V230-R238 PolarHBondContact O-N 2.99Å; V230-I240 HydrophobicContact CB-CD1 4.47Å; V230-I240 HydrophobicContact CG1-CD1 3.55Å; V230-I240 HydrophobicContact CG1-CG1 4.19Å; V230-I240 HydrophobicContact CG2-CD1 4.05Å; V230-I240 HydrophobicContact CG2-CG1 4.37Å; V230-I240 HydrophobicContact CG2-CG2 4.02Å
231H94.9Very high96Very high63 Ų6369.1 Ų69.129%0.29239%0.385SS..EExtended strand (participates in β ladder)trans-92.6127.4170.6-56.880.2000108.7K57 D58 T236 K237K57-H231 PolarHBondContact NZ-O 2.97Å; D58-H231 PolarHBondContact OD2-N 2.91Å; D58-H231 IonicContact OD2-ND1 3.04Å; D58-H231 PolarHBondContact OD2-ND1 3.25Å; H231-T236 WeakPolarHBondContact CA-O 3.32Å; H231-K237 VanDerWaalsContact CD2-CG 3.43Å; H231-K237 WeakPolarHBondContact CD2-CG 3.3Å; H231-K237 WeakPolarHBondContact NE2-CE 3.41Å; H231-K237 VanDerWaalsContact NE2-CG 3.32Å; H231-K237 WeakPolarHBondContact NE2-CG 3.24Å
232D89.5Confident96Very high49 Ų4966.9 Ų66.926%0.26237%0.365SS..  trans-73.9174.4167.271.810.7000111.6K234 G235 T236D232-K234 PolarHBondContact O-N 3.46Å; D232-K234 VanDerWaalsContact OD1-CA 3.32Å; D232-K234 WeakPolarHBondContact OD1-CA 3.46Å; D232-K234 WeakPolarHBondContact OD1-CB 3.48Å; D232-K234 PolarHBondContact OD1-N 2.75Å; D232-G235 PolarHBondContact O-N 3.14Å; D232-G235 PolarHBondContact OD1-N 2.94Å; D232-G235 VanDerWaalsContact OD1-N 3.08Å; D232-T236 PolarHBondContact N-O 2.7Å; D232-T236 WeakPolarHBondContact OD1-CB 3.29Å; D232-T236 PolarHBondContact OD1-N 2.84Å
233D88.3Confident96Very high179 Ų17970.4 Ų70.496%0.95739%0.386SS*.THydrogen-bonded Turntrans-63.6-12.7-179.6-58.5-30000113.1
234K91.8Very high96Very high188 Ų18875.3 Ų75.382%0.81741%0.409SS*.THydrogen-bonded Turntrans-930.1174.5-57178.6-178.2177.10112.4D232 T236D232-K234 PolarHBondContact O-N 3.46Å; D232-K234 VanDerWaalsContact OD1-CA 3.32Å; D232-K234 WeakPolarHBondContact OD1-CA 3.46Å; D232-K234 WeakPolarHBondContact OD1-CB 3.48Å; D232-K234 PolarHBondContact OD1-N 2.75Å; K234-T236 VanDerWaalsContact C-N 3.3Å
235G89.7Confident96Very high50 Ų5074.7 Ų74.752%0.51541%0.405SS..  trans79.46.8-176.100000114.5D232 K237D232-G235 PolarHBondContact O-N 3.14Å; D232-G235 PolarHBondContact OD1-N 2.94Å; D232-G235 VanDerWaalsContact OD1-N 3.08Å; G235-K237 PolarHBondContact O-N 3.24Å
236T93.6Very high96Very high81 Ų8173.8 Ų73.850%0.49740%0.395SS..  trans-76.1123178.8-530000109.6H231 D232 K234H231-T236 WeakPolarHBondContact CA-O 3.32Å; D232-T236 PolarHBondContact N-O 2.7Å; D232-T236 WeakPolarHBondContact OD1-CB 3.29Å; D232-T236 PolarHBondContact OD1-N 2.84Å; K234-T236 VanDerWaalsContact C-N 3.3Å
237K95.6Very high96Very high145 Ų14573.4 Ų73.463%0.6339%0.392SS*.EExtended strand (participates in β ladder)trans-74.3129.6173.4-73.4-179.4175-1790110.3V230 H231 G235V230-K237 WeakPolarHBondContact O-CA 3.39Å; H231-K237 VanDerWaalsContact CD2-CG 3.43Å; H231-K237 WeakPolarHBondContact CD2-CG 3.3Å; H231-K237 WeakPolarHBondContact NE2-CE 3.41Å; H231-K237 VanDerWaalsContact NE2-CG 3.32Å; H231-K237 WeakPolarHBondContact NE2-CG 3.24Å; G235-K237 PolarHBondContact O-N 3.24Å
238R95.3Very high96Very high144 Ų14469.6 Ų69.654%0.54337%0.368SS..EExtended strand (participates in β ladder)trans-128139.6168.565.5179.3-174.6-139.7-0.4110.8T229 V230 I240T229-R238 WeakPolarHBondContact CA-O 3.33Å; V230-R238 HydrophobicContact CG2-CG 3.55Å; V230-R238 PolarHBondContact N-O 3.34Å; V230-R238 PolarHBondContact O-N 2.99Å; R238-I240 HydrophobicContact CG-CG2 4.22Å
239S97.5Very high96Very high87 Ų8773 Ų7361%0.60838%0.379SS*.EExtended strand (participates in β ladder)trans-75.8135.9169.8-1740000109.8T228T228-S239 WeakPolarHBondContact O-CA 3.27Å
240I98.2Very high96Very high43 Ų4374.9 Ų74.922%0.22139%0.393CS..EExtended strand (participates in β ladder)trans-135.4154.8174.163.9167.9000109.5T227 T228 V230 R238 V242T227-I240 WeakPolarHBondContact CA-O 3.37Å; T228-I240 HydrophobicContact CG2-CD1 4.35Å; T228-I240 HydrophobicContact CG2-CG1 3.93Å; T228-I240 PolarHBondContact N-O 2.79Å; T228-I240 PolarHBondContact O-N 2.79Å; T228-I240 VanDerWaalsContact O-O 3.13Å; V230-I240 HydrophobicContact CB-CD1 4.47Å; V230-I240 HydrophobicContact CG1-CD1 3.55Å; V230-I240 HydrophobicContact CG1-CG1 4.19Å; V230-I240 HydrophobicContact CG2-CD1 4.05Å; V230-I240 HydrophobicContact CG2-CG1 4.37Å; V230-I240 HydrophobicContact CG2-CG2 4.02Å; R238-I240 HydrophobicContact CG-CG2 4.22Å; I240-V242 HydrophobicContact CD1-CG2 3.95Å; I240-V242 HydrophobicContact CG1-CG2 4.43Å
241T98.6Very high96.1Very high77 Ų7779.3 Ų79.347%0.47242%0.423SS..EExtended strand (participates in β ladder)trans-117.9118.6169.2-56.20000109.2P225 V226 T227 T243P225-T241 HydrophobicContact CB-CG2 3.92Å; V226-T241 CarbonylContact O-C 3.55Å; V226-T241 WeakPolarHBondContact O-CA 3.35Å; T227-T241 PolarHBondContact OG1-OG1 2.96Å; T241-T243 HydrophobicContact CG2-CG2 4.02Å
242V98.7Very high96.2Very high12 Ų1277.7 Ų77.77%0.07342%0.418CS..EExtended strand (participates in β ladder)trans-93.5123-179.8-174.50000109.5A47 F56 P225 V226 I240A47-V242 HydrophobicContact CB-CG1 3.76Å; F56-V242 HydrophobicContact CD1-CG2 4.01Å; F56-V242 HydrophobicContact CE1-CB 3.63Å; F56-V242 HydrophobicContact CE1-CG1 4.1Å; F56-V242 HydrophobicContact CE1-CG2 3.53Å; F56-V242 HydrophobicContact CZ-CB 3.86Å; F56-V242 HydrophobicContact CZ-CG1 3.97Å; F56-V242 HydrophobicContact CZ-CG2 4.24Å; P225-V242 WeakPolarHBondContact CA-O 3.33Å; V226-V242 PolarHBondContact N-O 3.42Å; V226-V242 VanDerWaalsContact N-O 3.09Å; V226-V242 PolarHBondContact O-N 2.85Å; I240-V242 HydrophobicContact CD1-CG2 3.95Å; I240-V242 HydrophobicContact CG1-CG2 4.43Å
243T98.6Very high96.7Very high74 Ų7478.8 Ų78.845%0.45443%0.427SS..  trans-129-4.9-175.460.90000114.5P225 T241P225-T243 HydrophobicContact CB-CG2 3.97Å; P225-T243 HydrophobicContact CG-CG2 4.17Å; T241-T243 HydrophobicContact CG2-CG2 4.02Å
244Q98.6Very high97.2Very high114 Ų11473.3 Ų73.353%0.53340%0.396SS..SBendtrans-137.7149.3-174.7-69-173.3-8.500111.5A47 E246A47-Q244 WeakPolarHBondContact CB-O 3.49Å; Q244-E246 PolarHBondContact O-N 3.25Å
245D98.8Very high97.5Very high4 Ų470.4 Ų70.42%0.02139%0.386CS..  trans-69.3118.3177-64.8-49.7000110R45 A47 I48 G247 I248 L375R45-D245 IonicContact CZ-OD1 3.61Å; R45-D245 IonicContact CZ-OD2 2.75Å; R45-D245 IonicContact NH1-OD1 3.16Å; R45-D245 PolarHBondContact NH1-OD1 3.1Å; R45-D245 IonicContact NH1-OD2 3.29Å; R45-D245 PolarHBondContact NH1-OD2 3.17Å; R45-D245 IonicContact NH2-OD1 3.51Å; R45-D245 IonicContact NH2-OD2 2.65Å; R45-D245 PolarHBondContact NH2-OD2 3.22Å; A47-D245 WeakPolarHBondContact CA-OD1 3.44Å; I48-D245 PolarHBondContact N-OD1 2.85Å; D245-G247 VanDerWaalsContact C-N 3.29Å; D245-G247 PolarHBondContact O-N 2.88Å; D245-I248 HydrophobicContact CB-CD1 4.13Å; D245-I248 HydrophobicContact CB-CG1 4.28Å; D245-L375 HydrophobicContact CB-CD2 4.19Å
246E98.2Very high97.9Very high54 Ų5469.7 Ų69.725%0.25238%0.378SS..THydrogen-bonded Turntrans-79.9-11.7-171.5-65.1-176.9164.900113.8I48 C49 R50 G54 G55 Q244 I248 R249I48-E246 PolarHBondContact O-N 3.5Å; C49-E246 WeakPolarHBondContact CA-OE2 3.47Å; C49-E246 HydrophobicContact CB-CG 4.38Å; C49-E246 VanDerWaalsContact CB-OE2 3.27Å; C49-E246 WeakPolarHBondContact CB-OE2 3.25Å; C49-E246 PolarHBondContact SG-OE1 3.46Å; C49-E246 VanDerWaalsContact SG-OE1 3.33Å; R50-E246 HydrophobicContact CG-CB 4.37Å; R50-E246 PolarHBondContact N-OE2 3.18Å; R50-E246 VanDerWaalsContact N-OE2 3.14Å; G54-E246 WeakPolarHBondContact CA-OE2 3.22Å; G55-E246 WeakPolarHBondContact CA-OE1 3.39Å; G55-E246 PolarHBondContact N-OE1 3.16Å; G55-E246 PolarHBondContact N-OE2 3Å; Q244-E246 PolarHBondContact O-N 3.25Å; E246-I248 VanDerWaalsContact C-N 3.34Å; E246-R249 PolarHBondContact O-NH1 3.14Å; E246-R249 PolarHBondContact O-NH2 2.91Å
247G98.3Very high98.1Very high0 Ų066.1 Ų66.10%036%0.356CS..THydrogen-bonded Turntrans-78.1-18.8-176.800000113.7Q207 D245 R249 Q277 A374Q207-G247 PolarHBondContact NE2-O 3.47Å; D245-G247 VanDerWaalsContact C-N 3.29Å; D245-G247 PolarHBondContact O-N 2.88Å; G247-R249 PolarHBondContact O-N 3.45Å; G247-Q277 VanDerWaalsContact CA-OE1 3.28Å; G247-Q277 PolarHBondContact O-NE2 3.37Å; G247-A374 CarbonylContact C-O 3.54Å; G247-A374 WeakPolarHBondContact CA-O 3.47Å; G247-A374 VanDerWaalsContact O-O 3.13Å
248I98.7Very high98.3Very high11 Ų1162 Ų626%0.05635%0.349CS..  trans-70.9127.6-173.7-54.3-180000109.5A210 A211 Q214 F219 D245 E246 A374 L375A210-I248 HydrophobicContact CB-CD1 3.83Å; A210-I248 HydrophobicContact CB-CG1 3.95Å; A210-I248 HydrophobicContact CB-CG2 4.18Å; A211-I248 HydrophobicContact CB-CG2 3.93Å; Q214-I248 HydrophobicContact CB-CD1 3.92Å; Q214-I248 HydrophobicContact CG-CD1 4.46Å; F219-I248 HydrophobicContact CE2-CD1 4.24Å; D245-I248 HydrophobicContact CB-CD1 4.13Å; D245-I248 HydrophobicContact CB-CG1 4.28Å; E246-I248 VanDerWaalsContact C-N 3.34Å; I248-A374 PolarHBondContact N-O 3.35Å; I248-L375 HydrophobicContact CD1-CD2 3.93Å; I248-L375 HydrophobicContact CG1-CD2 4.18Å
249R98.4Very high98.4Very high90 Ų9062.3 Ų62.334%0.3435%0.354SS..  trans-126.987.8-178.7-68.2-68.9175.7-74.6-0.1109.1E246 G247 S251 T252E246-R249 PolarHBondContact O-NH1 3.14Å; E246-R249 PolarHBondContact O-NH2 2.91Å; G247-R249 PolarHBondContact O-N 3.45Å; R249-S251 PolarHBondContact O-N 3.48Å; R249-S251 VanDerWaalsContact O-N 3.08Å; R249-T252 WeakPolarHBondContact CB-OG1 3.4Å; R249-T252 WeakPolarHBondContact O-CB 3.37Å; R249-T252 PolarHBondContact O-N 2.9Å; R249-T252 PolarHBondContact O-OG1 3.35Å
250P97.7Very high98.5Very high104 Ų10461.3 Ų61.368%0.67534%0.342SS*.THydrogen-bonded Turntrans-59.1-22.1178.6-22.833.4000113.6A211 T252A211-P250 HydrophobicContact CB-CB 4.12Å; A211-P250 HydrophobicContact CB-CG 3.97Å; P250-T252 PolarHBondContact O-N 2.81Å
251S98.3Very high98.5Very high96 Ų9667.8 Ų67.867%0.67137%0.368SS*.THydrogen-bonded Turntrans-78.41.3176.464.30000114.4R249 T253R249-S251 PolarHBondContact O-N 3.48Å; R249-S251 VanDerWaalsContact O-N 3.08Å; S251-T253 PolarHBondContact O-N 2.99Å
252T98.4Very high98.5Very high30 Ų3066.4 Ų66.418%0.18436%0.36CS..  trans-64.7127.6177.9-54.90000109.6L204 Q207 R249 P250 L257L204-T252 HydrophobicContact CD1-CG2 4.16Å; L204-T252 WeakPolarHBondContact CD1-O 3.48Å; Q207-T252 HydrophobicContact CB-CG2 4.5Å; Q207-T252 HydrophobicContact CG-CG2 4.25Å; R249-T252 WeakPolarHBondContact CB-OG1 3.4Å; R249-T252 WeakPolarHBondContact O-CB 3.37Å; R249-T252 PolarHBondContact O-N 2.9Å; R249-T252 PolarHBondContact O-OG1 3.35Å; P250-T252 PolarHBondContact O-N 2.81Å; T252-L257 HydrophobicContact CG2-CD1 3.81Å; T252-L257 HydrophobicContact CG2-CD2 3.82Å; T252-L257 HydrophobicContact CG2-CG 3.72Å
253T98.6Very high98.4Very high72 Ų7268.3 Ų68.344%0.44238%0.378SS..  trans-126.1158176.564.90000110.4S251 E255 G256 L257S251-T253 PolarHBondContact O-N 2.99Å; T253-E255 VanDerWaalsContact C-N 3.28Å; T253-E255 PolarHBondContact O-N 3.26Å; T253-G256 PolarHBondContact O-N 3.18Å; T253-G256 PolarHBondContact OG1-N 3.2Å; T253-L257 WeakPolarHBondContact O-CG 3.33Å; T253-L257 PolarHBondContact O-N 2.88Å
254M98.6Very high98.4Very high63 Ų6369.1 Ų69.131%0.3138%0.375SS..Hα-helixtrans-59.2-41.5175.8-167.264.2-170.200111.7E197 D200 L204 G256 L257 A258E197-M254 HydrophobicContact CB-CE 4.47Å; E197-M254 HydrophobicContact CG-CE 3.89Å; D200-M254 HydrophobicContact CB-CE 3.54Å; D200-M254 HydrophobicContact CB-SD 3.86Å; L204-M254 HydrophobicContact CD2-CB 4.18Å; M254-G256 PolarHBondContact O-N 3.27Å; M254-L257 PolarHBondContact O-N 3.04Å; M254-A258 WeakPolarHBondContact O-CB 3.32Å; M254-A258 PolarHBondContact O-N 2.86Å
255E98.4Very high98.3Very high128 Ų12867.8 Ų67.860%0.59837%0.367SS*.Hα-helixtrans-62-42.4175.8-168.5-165.8154.100112.1T253 A258 K259T253-E255 VanDerWaalsContact C-N 3.28Å; T253-E255 PolarHBondContact O-N 3.26Å; E255-A258 PolarHBondContact O-N 3.05Å; E255-K259 WeakPolarHBondContact O-CG 3.5Å; E255-K259 PolarHBondContact O-N 2.88Å; E255-K259 WeakPolarHBondContact OE1-CE 3.44Å; E255-K259 IonicContact OE1-NZ 2.64Å; E255-K259 PolarHBondContact OE1-NZ 2.94Å
256G98.6Very high98.1Very high34 Ų3476.6 Ų76.635%0.35141%0.405SS..Hα-helixtrans-64-41.6176.800000112.5T253 M254T253-G256 PolarHBondContact O-N 3.18Å; T253-G256 PolarHBondContact OG1-N 3.2Å; M254-G256 PolarHBondContact O-N 3.27Å
257L98.7Very high98Very high7 Ų780.7 Ų80.74%0.03743%0.429CS..Hα-helixtrans-65.8-45.3175.7-69.3174000111.7R196 D200 A203 L204 T252 T253 M254 K259 L260R196-L257 PolarHBondContact NH2-O 3.05Å; D200-L257 HydrophobicContact CB-CB 3.99Å; D200-L257 HydrophobicContact CB-CD1 4.17Å; D200-L257 VanDerWaalsContact O-CD1 3.27Å; D200-L257 WeakPolarHBondContact O-CD1 3.39Å; A203-L257 HydrophobicContact CB-CD1 4.15Å; L204-L257 HydrophobicContact CB-CD1 3.96Å; T252-L257 HydrophobicContact CG2-CD1 3.81Å; T252-L257 HydrophobicContact CG2-CD2 3.82Å; T252-L257 HydrophobicContact CG2-CG 3.72Å; T253-L257 WeakPolarHBondContact O-CG 3.33Å; T253-L257 PolarHBondContact O-N 2.88Å; M254-L257 PolarHBondContact O-N 3.04Å; L257-K259 PolarHBondContact O-N 3.05Å; L257-L260 HydrophobicContact CD2-CD1 4.19Å; L257-L260 WeakPolarHBondContact O-CB 3.48Å; L257-L260 PolarHBondContact O-N 3.21Å
258A98.4Very high98Very high59 Ų5981.1 Ų81.149%0.48843%0.434SS..Hα-helixtrans-60.8-31-179.400000113R196 D200 M254 E255 L260R196-A258 PolarHBondContact NH2-O 3.46Å; D200-A258 PolarHBondContact OD2-N 2.86Å; M254-A258 WeakPolarHBondContact O-CB 3.32Å; M254-A258 PolarHBondContact O-N 2.86Å; E255-A258 PolarHBondContact O-N 3.05Å; A258-L260 VanDerWaalsContact C-N 3.29Å; A258-L260 PolarHBondContact O-N 3.48Å
259K98.4Very high98Very high149 Ų14981.5 Ų81.565%0.64844%0.438SS*.THydrogen-bonded Turntrans-73.1-14.6176.9-75.3170.8173.7171.80114.3E255 L257E255-K259 WeakPolarHBondContact O-CG 3.5Å; E255-K259 PolarHBondContact O-N 2.88Å; E255-K259 WeakPolarHBondContact OE1-CE 3.44Å; E255-K259 IonicContact OE1-NZ 2.64Å; E255-K259 PolarHBondContact OE1-NZ 2.94Å; L257-K259 PolarHBondContact O-N 3.05Å
260L98.5Very high98Very high67 Ų6777.2 Ų77.235%0.35142%0.421SS..PPolyproline II helixtrans-70.4135.2-178.7-62.6177.1000111.3R196 L257 A258 T271 G273R196-L260 PolarHBondContact NH1-O 3.11Å; R196-L260 PolarHBondContact NH2-O 2.87Å; L257-L260 HydrophobicContact CD2-CD1 4.19Å; L257-L260 WeakPolarHBondContact O-CB 3.48Å; L257-L260 PolarHBondContact O-N 3.21Å; A258-L260 VanDerWaalsContact C-N 3.29Å; A258-L260 PolarHBondContact O-N 3.48Å; L260-T271 HydrophobicContact CB-CG2 4.12Å; L260-G273 VanDerWaalsContact CD1-CA 3.45Å
261K98.2Very high98.1Very high179 Ų17972.3 Ų72.378%0.77839%0.389SS*.PPolyproline II helixtrans-71147.4174.2-63.8-178.9-179.2178.80110.5
262P98.6Very high98.1Very high47 Ų4771.4 Ų71.431%0.30539%0.388SS..BIsolated β-bridgetrans-55.5141.3170.5-26.638000111.9K265 G268 T270P262-K265 WeakPolarHBondContact CB-O 3.38Å; P262-G268 WeakPolarHBondContact CG-O 3.49Å; P262-T270 CarbonylContact C-O 3.59Å; P262-T270 WeakPolarHBondContact CA-O 3.24Å
263A97.9Very high98.1Very high53 Ų5370.8 Ų70.844%0.43839%0.387SS..SBendtrans-94.7-22.9-172.500000113.9T270A263-T270 PolarHBondContact N-O 3.44Å
264F97.1Very high98.1Very high90 Ų9067.3 Ų67.340%0.39537%0.366SS..SBendtrans-127.2-33.8-169-55.9-75.2000114.5G182 I183 T270 F348G182-F264 VanDerWaalsContact CA-CD2 3.46Å; I183-F264 HydrophobicContact CD1-CB 3.86Å; I183-F264 HydrophobicContact CG1-CB 4.48Å; F264-T270 HydrophobicContact CD2-CG2 3.71Å; F264-T270 HydrophobicContact CE2-CG2 3.62Å; F264-F348 AromaticContact CE2-CE1 3.84Å; F264-F348 HydrophobicContact CE2-CE1 3.84Å; F264-F348 HydrophobicContact CZ-CE1 4.06Å
265K96.8Very high98.1Very high86 Ų8664.7 Ų64.737%0.37435%0.354SS..SBendtrans-131.3139.6179.5-174.1178.5178.1-176.10109.1I183 E186 E190 P262 D267 G268I183-K265 HydrophobicContact CD1-CB 4.41Å; E186-K265 HydrophobicContact CG-CB 4.25Å; E190-K265 IonicContact OE1-NZ 2.7Å; E190-K265 PolarHBondContact OE1-NZ 3.5Å; E190-K265 IonicContact OE2-NZ 2.76Å; E190-K265 PolarHBondContact OE2-NZ 2.98Å; P262-K265 WeakPolarHBondContact CB-O 3.38Å; K265-D267 VanDerWaalsContact C-N 3.31Å; K265-D267 PolarHBondContact O-N 3.46Å; K265-G268 WeakPolarHBondContact O-CA 3.48Å; K265-G268 PolarHBondContact O-N 3.22Å
266K96.1Very high98.1Very high189 Ų18959.8 Ų59.882%0.82233%0.334SS*.THydrogen-bonded Turntrans-52.7-45.7-173.6-174.5-177.6176.7-174.10113.1
267D96.1Very high98.1Very high140 Ų14059.1 Ų59.175%0.74932%0.321SS*.THydrogen-bonded Turntrans-103.425.9178.5-51.8-50.4000111.6K265K265-D267 VanDerWaalsContact C-N 3.31Å; K265-D267 PolarHBondContact O-N 3.46Å
268G97.9Very high98.1Very high10 Ų1061.5 Ų61.510%0.10334%0.336CS..  trans-74.4168.3-178.100000113.6E186 P262 K265E186-G268 WeakPolarHBondContact OE1-CA 3.48Å; P262-G268 WeakPolarHBondContact CG-O 3.49Å; K265-G268 WeakPolarHBondContact O-CA 3.48Å; K265-G268 PolarHBondContact O-N 3.22Å
269S98.7Very high98.1Very high19 Ų1958.8 Ų58.813%0.13331%0.313CS..SBendtrans-109.8-18.8178.362.50000112.6E186 R196 Q199 N274E186-S269 VanDerWaalsContact CD-N 3.3Å; E186-S269 PolarHBondContact OE1-N 3.49Å; E186-S269 PolarHBondContact OE2-N 3.47Å; E186-S269 PolarHBondContact OE2-OG 3.37Å; R196-S269 WeakPolarHBondContact CD-O 3.43Å; Q199-S269 VanDerWaalsContact NE2-CB 3.3Å; Q199-S269 PolarHBondContact NE2-OG 3.07Å; S269-N274 PolarHBondContact O-ND2 3.18Å
270T98.8Very high98.1Very high0 Ų051.7 Ų51.70%028%0.283CS..  trans-80.6123.1178.2-52.50000110.2S185 E186 P262 A263 F264 N274 S275 F348S185-T270 WeakPolarHBondContact CB-OG1 3.45Å; S185-T270 PolarHBondContact OG-OG1 2.93Å; E186-T270 VanDerWaalsContact CD-OG1 3.32Å; E186-T270 VanDerWaalsContact OE1-CB 3.25Å; E186-T270 WeakPolarHBondContact OE1-CB 3.38Å; E186-T270 PolarHBondContact OE1-N 3.08Å; E186-T270 PolarHBondContact OE1-OG1 3.26Å; E186-T270 PolarHBondContact OE2-N 3.3Å; P262-T270 CarbonylContact C-O 3.59Å; P262-T270 WeakPolarHBondContact CA-O 3.24Å; A263-T270 PolarHBondContact N-O 3.44Å; F264-T270 HydrophobicContact CD2-CG2 3.71Å; F264-T270 HydrophobicContact CE2-CG2 3.62Å; T270-N274 WeakPolarHBondContact CA-OD1 3.46Å; T270-S275 VanDerWaalsContact CG2-OG 3.28Å; T270-S275 WeakPolarHBondContact CG2-OG 3.24Å; T270-F348 HydrophobicContact CG2-CD1 3.54Å; T270-F348 HydrophobicContact CG2-CE1 4.11Å; T270-F348 HydrophobicContact CG2-CG 4.41Å
271T98.8Very high98.1Very high0 Ų048.5 Ų48.50%027%0.266CS..BIsolated β-bridgetrans-125.3167.9179.873.90000110.8R196 L260 G273 N274 S275R196-T271 VanDerWaalsContact CZ-CG2 3.42Å; L260-T271 HydrophobicContact CB-CG2 4.12Å; T271-G273 PolarHBondContact O-N 2.77Å; T271-G273 VanDerWaalsContact O-N 3.15Å; T271-G273 PolarHBondContact OG1-N 2.89Å; T271-N274 PolarHBondContact N-OD1 2.86Å; T271-N274 PolarHBondContact O-N 3.08Å; T271-N274 PolarHBondContact O-OD1 3.26Å; T271-N274 VanDerWaalsContact O-OD1 3.11Å; T271-N274 PolarHBondContact OG1-N 2.92Å; T271-N274 PolarHBondContact OG1-ND2 3.13Å; T271-S275 VanDerWaalsContact O-CB 3.29Å; T271-S275 WeakPolarHBondContact O-CB 3.45Å; T271-S275 PolarHBondContact O-N 3.44Å; T271-S275 VanDerWaalsContact O-N 3.13Å; T271-S275 PolarHBondContact O-OG 3.4Å
272A98.2Very high98.2Very high78 Ų7840 Ų4065%0.64523%0.229SC*.THydrogen-bonded Turntrans-61-21.2172.800000113.8
273G98.5Very high98.2Very high16 Ų1637.7 Ų37.717%0.16521%0.214CC..THydrogen-bonded Turntrans-86.1-25-179.300000113.9A203 L260 T271 V373A203-G273 WeakPolarHBondContact CB-O 3.17Å; L260-G273 VanDerWaalsContact CD1-CA 3.45Å; T271-G273 PolarHBondContact O-N 2.77Å; T271-G273 VanDerWaalsContact O-N 3.15Å; T271-G273 PolarHBondContact OG1-N 2.89Å; G273-V373 WeakPolarHBondContact O-CG1 3.27Å
274N98.7Very high98.2Very high0 Ų035.2 Ų35.20%019%0.193CC..SBendtrans-109.617.4176.768.428.5000112.7Q199 D200 A203 S269 T270 T271 F348 A349Q199-N274 HydrophobicContact CB-CB 4.24Å; D200-N274 PolarHBondContact OD1-ND2 3.08Å; A203-N274 HydrophobicContact CB-CB 4.01Å; S269-N274 PolarHBondContact O-ND2 3.18Å; T270-N274 WeakPolarHBondContact CA-OD1 3.46Å; T271-N274 PolarHBondContact N-OD1 2.86Å; T271-N274 PolarHBondContact O-N 3.08Å; T271-N274 PolarHBondContact O-OD1 3.26Å; T271-N274 VanDerWaalsContact O-OD1 3.11Å; T271-N274 PolarHBondContact OG1-N 2.92Å; T271-N274 PolarHBondContact OG1-ND2 3.13Å; N274-F348 CarbonylContact O-C 3.48Å; N274-A349 HydrophobicContact CB-CB 3.91Å; N274-A349 WeakPolarHBondContact O-CB 3.43Å; N274-A349 PolarHBondContact O-N 3.21Å
275S98.7Very high98.3Very high8 Ų830.9 Ų30.96%0.05618%0.175CC..BIsolated β-bridgetrans-113.5156171.9-56.90000110.3T270 T271 F348T270-S275 VanDerWaalsContact CG2-OG 3.28Å; T270-S275 WeakPolarHBondContact CG2-OG 3.24Å; T271-S275 VanDerWaalsContact O-CB 3.29Å; T271-S275 WeakPolarHBondContact O-CB 3.45Å; T271-S275 PolarHBondContact O-N 3.44Å; T271-S275 VanDerWaalsContact O-N 3.13Å; T271-S275 PolarHBondContact O-OG 3.4Å; S275-F348 WeakPolarHBondContact OG-CD1 3.33Å
276S98.4Very high98.4Very high25 Ų2526.8 Ų26.818%0.17516%0.157CC..PPolyproline II helixtrans-59.8148.3166.6580000111.7E346 A347 A372S276-E346 WeakPolarHBondContact CB-O 3.39Å; S276-A347 WeakPolarHBondContact CB-O 3.42Å; S276-A347 PolarHBondContact N-O 3.09Å; S276-A347 PolarHBondContact OG-O 3.47Å; S276-A372 WeakPolarHBondContact CA-O 3.49Å
277Q98.5Very high98.5Very high19 Ų1917.8 Ų17.89%0.08912%0.118CC..PPolyproline II helixtrans-81.9135.3177.1-55.1177.748.300109.6R50 G247 S279 V373 A374 H377R50-Q277 VanDerWaalsContact CZ-OE1 3.32Å; G247-Q277 VanDerWaalsContact CA-OE1 3.28Å; G247-Q277 PolarHBondContact O-NE2 3.37Å; Q277-S279 PolarHBondContact O-N 3.23Å; Q277-S279 PolarHBondContact O-OG 2.9Å; Q277-V373 PolarHBondContact NE2-O 3.07Å; Q277-A374 PolarHBondContact NE2-O 2.98Å; Q277-A374 VanDerWaalsContact NE2-O 3.17Å; Q277-H377 PolarHBondContact O-N 3.32Å
278V98Very high98.7Very high58 Ų5811.1 Ų11.135%0.3528%0.082SC..PPolyproline II helixtrans-63.3125.3167-174.80000107.5A51 M153A51-V278 HydrophobicContact CB-CB 4.14Å; A51-V278 HydrophobicContact CB-CG1 3.54Å; A51-V278 WeakPolarHBondContact CB-O 3.39Å; A51-V278 PolarHBondContact N-O 2.85Å; M153-V278 HydrophobicContact CB-CG1 3.58Å; M153-V278 HydrophobicContact CE-CG1 3.7Å; M153-V278 HydrophobicContact CG-CG1 4.22Å; M153-V278 HydrophobicContact SD-CB 4.39Å; M153-V278 HydrophobicContact SD-CG1 3.61Å
279S98.7Very high98.7Very high1 Ų113.7 Ų13.71%0.0079%0.089CC..EExtended strand (participates in β ladder)trans-149.1159.4-162.4-75.80000113.6I48 C49 M153 Q277 G376 P378I48-S279 VanDerWaalsContact CG2-CB 3.47Å; C49-S279 CarbonylContact O-C 3.59Å; C49-S279 WeakPolarHBondContact O-CA 3.43Å; C49-S279 WeakPolarHBondContact O-CB 3.2Å; C49-S279 PolarHBondContact O-OG 3.43Å; M153-S279 VanDerWaalsContact CG-O 3.24Å; M153-S279 WeakPolarHBondContact CG-O 3.43Å; Q277-S279 PolarHBondContact O-N 3.23Å; Q277-S279 PolarHBondContact O-OG 2.9Å; S279-G376 WeakPolarHBondContact OG-CA 3.37Å; S279-P378 WeakPolarHBondContact O-CA 3.49Å; S279-P378 WeakPolarHBondContact O-CB 3.28Å
280D98.8Very high98.7Very high0 Ų014 Ų140%09%0.087CC..EExtended strand (participates in β ladder)trans-114.1144173.7-49.6-46.6000109.8C49 F56 L64 E151 S152 M153 S154C49-D280 PolarHBondContact N-O 2.75Å; C49-D280 VanDerWaalsContact N-O 3.1Å; C49-D280 PolarHBondContact O-N 3.44Å; F56-D280 HydrophobicContact CB-CB 3.9Å; F56-D280 HydrophobicContact CD2-CB 4.39Å; L64-D280 HydrophobicContact CD1-CB 4.35Å; E151-D280 WeakPolarHBondContact O-CA 3.41Å; S152-D280 VanDerWaalsContact C-OD1 3.31Å; S152-D280 WeakPolarHBondContact CA-OD1 3.45Å; M153-D280 PolarHBondContact N-OD1 2.81Å; S154-D280 WeakPolarHBondContact CB-OD2 3.43Å; S154-D280 PolarHBondContact N-OD1 2.94Å; S154-D280 VanDerWaalsContact OG-CG 3.32Å; S154-D280 PolarHBondContact OG-OD1 2.87Å; S154-D280 PolarHBondContact OG-OD2 2.74Å
281G98.9Very high98.7Very high0 Ų016.3 Ų16.30%010%0.103CC..EExtended strand (participates in β ladder)trans167.5167.8174.300000113.9T46 V150 E151 C381T46-G281 VanDerWaalsContact OG1-CA 3.32Å; T46-G281 WeakPolarHBondContact OG1-CA 3.29Å; V150-G281 WeakPolarHBondContact CA-O 3.22Å; E151-G281 PolarHBondContact N-O 2.64Å; E151-G281 PolarHBondContact O-N 3.07Å; G281-C381 VanDerWaalsContact O-CB 3.29Å; G281-C381 WeakPolarHBondContact O-CB 3.46Å
282A99Very high98.7Very high0 Ų018.2 Ų18.20%011%0.111CC..EExtended strand (participates in β ladder)trans-135.3159.5177.300000112.2R45 T46 L64 V68 G149 V150R45-A282 CarbonylContact C-O 3.41Å; R45-A282 VanDerWaalsContact CA-O 3.3Å; R45-A282 WeakPolarHBondContact CA-O 3.28Å; T46-A282 HydrophobicContact CG2-CB 4.1Å; T46-A282 PolarHBondContact N-O 3.16Å; T46-A282 PolarHBondContact OG1-N 3.11Å; T46-A282 PolarHBondContact OG1-O 2.82Å; L64-A282 HydrophobicContact CB-CB 4Å; L64-A282 WeakPolarHBondContact O-CB 3.47Å; V68-A282 HydrophobicContact CG1-CB 4.37Å; V68-A282 HydrophobicContact CG2-CB 3.87Å; G149-A282 CarbonylContact O-C 3.58Å; G149-A282 VanDerWaalsContact O-CA 3.26Å; G149-A282 WeakPolarHBondContact O-CA 3.29Å; V150-A282 HydrophobicContact CB-CB 3.95Å; V150-A282 HydrophobicContact CG2-CB 3.78Å
283A99Very high98.7Very high0 Ų014.5 Ų14.50%08%0.08CC..EExtended strand (participates in β ladder)trans-147.7144.6173.400000110.1R44 R45 C148 G149 A384 R385 I388R44-A283 CarbonylContact O-C 3.59Å; R44-A283 WeakPolarHBondContact O-CA 3.44Å; R45-A283 HydrophobicContact CB-CB 3.95Å; C148-A283 CarbonylContact C-O 3.58Å; C148-A283 WeakPolarHBondContact CA-O 3.26Å; C148-A283 WeakPolarHBondContact CB-O 3.33Å; G149-A283 PolarHBondContact N-O 2.89Å; G149-A283 PolarHBondContact O-N 2.79Å; A283-A384 HydrophobicContact CB-CB 3.8Å; A283-R385 HydrophobicContact CB-CB 4.31Å; A283-I388 HydrophobicContact CB-CD1 3.88Å
284A99Very high98.7Very high0 Ų019 Ų190%010%0.097CC..EExtended strand (participates in β ladder)trans-133.6139.8176.100000110.3G43 R44 V68 V72 M146 A147G43-A284 CarbonylContact C-O 3.6Å; G43-A284 WeakPolarHBondContact CA-O 3.44Å; R44-A284 PolarHBondContact N-O 3.33Å; R44-A284 PolarHBondContact O-N 2.55Å; V68-A284 HydrophobicContact CB-CB 3.88Å; V68-A284 HydrophobicContact CG2-CB 3.75Å; V72-A284 HydrophobicContact CG2-CB 3.95Å; M146-A284 HydrophobicContact CG-CB 4.42Å; M146-A284 HydrophobicContact SD-CB 4.09Å; A147-A284 CarbonylContact O-C 3.55Å
285I99Very high98.7Very high0 Ų025.2 Ų25.20%013%0.126CC..EExtended strand (participates in β ladder)trans-131.2126.1-178.8-59.7163.1000107.7V40 V130 M146 A147 L287 A384 V387 I388V40-I285 HydrophobicContact CG1-CG2 3.59Å; V40-I285 HydrophobicContact CG2-CG2 4.33Å; V130-I285 HydrophobicContact CG2-CD1 3.52Å; M146-I285 WeakPolarHBondContact CA-O 3.4Å; A147-I285 PolarHBondContact N-O 2.86Å; A147-I285 PolarHBondContact O-N 2.94Å; I285-L287 HydrophobicContact CB-CD1 4.32Å; I285-L287 HydrophobicContact CG2-CD1 3.87Å; I285-L287 HydrophobicContact CG2-CG 4.14Å; I285-A384 HydrophobicContact CD1-CB 3.87Å; I285-A384 WeakPolarHBondContact CD1-O 3.32Å; I285-V387 HydrophobicContact CD1-CB 3.65Å; I285-V387 HydrophobicContact CD1-CG1 3.81Å; I285-V387 HydrophobicContact CD1-CG2 4.18Å; I285-I388 HydrophobicContact CD1-CG1 4.29Å; I285-I388 HydrophobicContact CG1-CD1 4.03Å; I285-I388 HydrophobicContact CG1-CG1 3.79Å
286L98.9Very high98.7Very high0 Ų027.6 Ų27.60%014%0.138CC..EExtended strand (participates in β ladder)trans-90.1125.4172.4-169.269.2000109.4V41 H42 V72 V76 L78 L83 I144 M146V41-L286 HydrophobicContact CB-CB 4.32Å; V41-L286 HydrophobicContact CB-CD2 4.13Å; V41-L286 HydrophobicContact CB-CG 4.32Å; V41-L286 HydrophobicContact CG1-CD2 4.01Å; V41-L286 PolarHBondContact N-O 2.89Å; H42-L286 PolarHBondContact O-N 3.36Å; V72-L286 HydrophobicContact CG1-CB 3.61Å; V72-L286 HydrophobicContact CG1-CD2 4.5Å; V76-L286 HydrophobicContact CG2-CD2 3.67Å; L78-L286 HydrophobicContact CD2-CD1 4.13Å; L78-L286 HydrophobicContact CD2-CD2 4.03Å; L83-L286 HydrophobicContact CD2-CD1 3.54Å; I144-L286 HydrophobicContact CG2-CD1 3.8Å; I144-L286 HydrophobicContact CG2-CG 4.32Å; M146-L286 HydrophobicContact CE-CD1 4.46Å
287L98.9Very high98.7Very high0 Ų029.6 Ų29.60%016%0.163CC..EExtended strand (participates in β ladder)trans-117.9148.6175.6-61.5103000110.4V38 V39 V40 V130 I133 I137 I144 G145 A147 I285V38-L287 HydrophobicContact CG1-CB 4.3Å; V38-L287 HydrophobicContact CG1-CD2 3.82Å; V39-L287 VanDerWaalsContact O-CA 3.25Å; V39-L287 WeakPolarHBondContact O-CA 3.45Å; V40-L287 HydrophobicContact CG2-CD2 4.1Å; V40-L287 HydrophobicContact CG2-CG 4.47Å; V130-L287 HydrophobicContact CG1-CD2 3.95Å; I133-L287 HydrophobicContact CB-CD1 4.29Å; I133-L287 HydrophobicContact CG2-CB 3.93Å; I133-L287 HydrophobicContact CG2-CD1 3.91Å; I133-L287 HydrophobicContact CG2-CG 4.46Å; I137-L287 HydrophobicContact CD1-CB 4.01Å; I144-L287 WeakPolarHBondContact CA-O 3.19Å; I144-L287 WeakPolarHBondContact CG2-O 3.33Å; G145-L287 PolarHBondContact N-O 2.83Å; G145-L287 PolarHBondContact O-N 3.4Å; A147-L287 HydrophobicContact CB-CD1 3.6Å; I285-L287 HydrophobicContact CB-CD1 4.32Å; I285-L287 HydrophobicContact CG2-CD1 3.87Å; I285-L287 HydrophobicContact CG2-CG 4.14Å
288A98.9Very high98.7Very high0 Ų029.6 Ų29.60%016%0.163CC..EExtended strand (participates in β ladder)trans-143.2160.5175.800000111.3V39 V41 D143 I144 A293V39-A288 HydrophobicContact CG2-CB 4.25Å; V39-A288 WeakPolarHBondContact CG2-O 3.36Å; V39-A288 PolarHBondContact N-O 2.97Å; V39-A288 PolarHBondContact O-N 3.1Å; V41-A288 HydrophobicContact CG2-CB 3.92Å; D143-A288 CarbonylContact O-C 3.53Å; D143-A288 WeakPolarHBondContact O-CA 3.36Å; I144-A288 HydrophobicContact CG1-CB 4.11Å; A288-A293 HydrophobicContact CB-CB 4.15Å
289R98.8Very high98.6Very high64 Ų6430.2 Ų30.224%0.24217%0.169CC..EExtended strand (participates in β ladder)trans-63.8135.1157.5-172.6173.9-68156.3-2108.3A35 D37 I137 D143 S291 K292 A293A35-R289 WeakPolarHBondContact O-CG 3.31Å; D37-R289 CarbonylContact O-C 3.46Å; I137-R289 HydrophobicContact CG2-CB 3.83Å; I137-R289 PolarHBondContact O-NH2 3.26Å; D143-R289 PolarHBondContact O-N 2.83Å; D143-R289 IonicContact OD1-CZ 2.73Å; D143-R289 IonicContact OD1-NE 3.29Å; D143-R289 IonicContact OD1-NH1 3.58Å; D143-R289 PolarHBondContact OD1-NH1 2.91Å; D143-R289 IonicContact OD1-NH2 3.77Å; R289-S291 VanDerWaalsContact C-N 3.29Å; R289-S291 WeakPolarHBondContact CD-OG 3.46Å; R289-S291 PolarHBondContact O-N 2.94Å; R289-K292 HydrophobicContact CB-CB 4.34Å; R289-K292 WeakPolarHBondContact O-CA 3.32Å; R289-K292 WeakPolarHBondContact O-CB 3.45Å; R289-K292 PolarHBondContact O-N 2.79Å; R289-A293 PolarHBondContact O-N 3.03Å
290R98.7Very high98.6Very high25 Ų2532.3 Ų32.39%0.09418%0.179CC..Hα-helixtrans-49.6-50.1-178.6176.2-175.9-64.2-91.50.6111.8S34 D37 V39 K292 A293 E294 I300S34-R290 WeakPolarHBondContact O-CD 3.06Å; S34-R290 PolarHBondContact O-NE 3.44Å; D37-R290 HydrophobicContact CB-CB 4.09Å; D37-R290 PolarHBondContact O-N 2.66Å; D37-R290 IonicContact OD2-CZ 3.72Å; D37-R290 IonicContact OD2-NE 3.51Å; D37-R290 PolarHBondContact OD2-NE 3.17Å; D37-R290 IonicContact OD2-NH2 2.62Å; D37-R290 PolarHBondContact OD2-NH2 2.92Å; V39-R290 HydrophobicContact CG1-CB 3.85Å; V39-R290 HydrophobicContact CG1-CG 4.31Å; R290-K292 PolarHBondContact O-N 3.26Å; R290-A293 WeakPolarHBondContact O-CB 3.32Å; R290-A293 PolarHBondContact O-N 3.07Å; R290-A293 VanDerWaalsContact O-N 3.11Å; R290-E294 VanDerWaalsContact CD-OE1 3.28Å; R290-E294 WeakPolarHBondContact CD-OE1 3.25Å; R290-E294 HydrophobicContact CG-CG 4.31Å; R290-E294 WeakPolarHBondContact CG-OE1 3.49Å; R290-E294 WeakPolarHBondContact O-CG 3.43Å; R290-E294 PolarHBondContact O-N 3.24Å; R290-I300 HydrophobicContact CG-CD1 4.31Å
291S98.5Very high98.6Very high48 Ų4832.9 Ų32.934%0.33618%0.182SC..Hα-helixtrans-57.3-35.7179.659.40000113.1A35 R289 E295A35-S291 PolarHBondContact O-N 2.76Å; A35-S291 PolarHBondContact O-OG 3Å; R289-S291 VanDerWaalsContact C-N 3.29Å; R289-S291 WeakPolarHBondContact CD-OG 3.46Å; R289-S291 PolarHBondContact O-N 2.94Å; S291-E295 WeakPolarHBondContact O-CB 3.35Å; S291-E295 PolarHBondContact O-N 3.07Å
292K98.7Very high98.6Very high40 Ų4032.9 Ų32.917%0.17418%0.182CC..Hα-helixtrans-74.8-37.9178-170.359.1167.3-178.20112.3D143 I144 R289 R290 E294 E295 L296D143-K292 HydrophobicContact CB-CB 3.85Å; D143-K292 HydrophobicContact CB-CD 4.36Å; D143-K292 HydrophobicContact CB-CG 3.71Å; I144-K292 HydrophobicContact CD1-CG 3.9Å; I144-K292 HydrophobicContact CG1-CG 3.83Å; R289-K292 HydrophobicContact CB-CB 4.34Å; R289-K292 WeakPolarHBondContact O-CA 3.32Å; R289-K292 WeakPolarHBondContact O-CB 3.45Å; R289-K292 PolarHBondContact O-N 2.79Å; R290-K292 PolarHBondContact O-N 3.26Å; K292-E294 VanDerWaalsContact C-N 3.31Å; K292-E295 HydrophobicContact CD-CB 4.48Å; K292-E295 WeakPolarHBondContact CD-OE2 3.3Å; K292-E295 IonicContact NZ-OE1 3.05Å; K292-E295 PolarHBondContact NZ-OE1 3.08Å; K292-E295 IonicContact NZ-OE2 2.99Å; K292-E295 PolarHBondContact NZ-OE2 3.35Å; K292-E295 PolarHBondContact O-N 2.8Å; K292-L296 HydrophobicContact CD-CD1 4.37Å; K292-L296 HydrophobicContact CD-CG 4.33Å; K292-L296 HydrophobicContact CG-CD1 4.29Å; K292-L296 WeakPolarHBondContact O-CB 3.33Å; K292-L296 WeakPolarHBondContact O-CG 3.26Å; K292-L296 PolarHBondContact O-N 3.39Å; K292-L296 VanDerWaalsContact O-N 3.08Å
293A98.6Very high98.6Very high0 Ų033 Ų330%018%0.183CC..Hα-helixtrans-60.3-45172.800000110.8V39 V41 A288 R289 R290 L296 G297 L298V39-A293 HydrophobicContact CG2-CB 3.8Å; V41-A293 HydrophobicContact CG2-CB 4.32Å; A288-A293 HydrophobicContact CB-CB 4.15Å; R289-A293 PolarHBondContact O-N 3.03Å; R290-A293 WeakPolarHBondContact O-CB 3.32Å; R290-A293 PolarHBondContact O-N 3.07Å; R290-A293 VanDerWaalsContact O-N 3.11Å; A293-L296 PolarHBondContact O-N 3.04Å; A293-G297 PolarHBondContact O-N 2.8Å; A293-G297 VanDerWaalsContact O-N 3.08Å; A293-L298 HydrophobicContact CB-CB 4.19Å; A293-L298 PolarHBondContact O-N 2.82Å
294E98.1Very high98.6Very high110 Ų11033.2 Ų33.251%0.51418%0.184SC..Hα-helixtrans-64.2-44.8176.9-70.1166.8177.200112.1R290 K292 L296 G297R290-E294 VanDerWaalsContact CD-OE1 3.28Å; R290-E294 WeakPolarHBondContact CD-OE1 3.25Å; R290-E294 HydrophobicContact CG-CG 4.31Å; R290-E294 WeakPolarHBondContact CG-OE1 3.49Å; R290-E294 WeakPolarHBondContact O-CG 3.43Å; R290-E294 PolarHBondContact O-N 3.24Å; K292-E294 VanDerWaalsContact C-N 3.31Å; E294-L296 VanDerWaalsContact C-N 3.28Å; E294-L296 PolarHBondContact O-N 2.66Å; E294-G297 PolarHBondContact O-N 3.23Å; E294-G297 VanDerWaalsContact O-N 3.16Å
295E98.4Very high98.6Very high132 Ų13235.4 Ų35.462%0.61719%0.192SC*.Hα-helixtrans-56.4-40.7175.7-174.1-158.3134.200112.3S291 K292S291-E295 WeakPolarHBondContact O-CB 3.35Å; S291-E295 PolarHBondContact O-N 3.07Å; K292-E295 HydrophobicContact CD-CB 4.48Å; K292-E295 WeakPolarHBondContact CD-OE2 3.3Å; K292-E295 IonicContact NZ-OE1 3.05Å; K292-E295 PolarHBondContact NZ-OE1 3.08Å; K292-E295 IonicContact NZ-OE2 2.99Å; K292-E295 PolarHBondContact NZ-OE2 3.35Å; K292-E295 PolarHBondContact O-N 2.8Å
296L98.4Very high98.5Very high57 Ų5735.7 Ų35.730%0.29819%0.194SC..THydrogen-bonded Turntrans-89.4-0.5-178.6-64.7-178.2000113.9L78 I144 K292 A293 E294 L298L78-L296 HydrophobicContact CD1-CD1 3.97Å; I144-L296 HydrophobicContact CD1-CD1 3.51Å; K292-L296 HydrophobicContact CD-CD1 4.37Å; K292-L296 HydrophobicContact CD-CG 4.33Å; K292-L296 HydrophobicContact CG-CD1 4.29Å; K292-L296 WeakPolarHBondContact O-CB 3.33Å; K292-L296 WeakPolarHBondContact O-CG 3.26Å; K292-L296 PolarHBondContact O-N 3.39Å; K292-L296 VanDerWaalsContact O-N 3.08Å; A293-L296 PolarHBondContact O-N 3.04Å; E294-L296 VanDerWaalsContact C-N 3.28Å; E294-L296 PolarHBondContact O-N 2.66Å; L296-L298 HydrophobicContact CB-CD1 4.04Å; L296-L298 HydrophobicContact CB-CG 3.87Å; L296-L298 HydrophobicContact CD1-CD1 4.05Å; L296-L298 PolarHBondContact O-N 3.12Å
297G98.2Very high98.5Very high68 Ų6837.8 Ų37.870%0.70120%0.203SC*.THydrogen-bonded Turntrans64.926.1-175.700000113.9A293 E294A293-G297 PolarHBondContact O-N 2.8Å; A293-G297 VanDerWaalsContact O-N 3.08Å; E294-G297 PolarHBondContact O-N 3.23Å; E294-G297 VanDerWaalsContact O-N 3.16Å
298L98.4Very high98.5Very high18 Ų1838 Ų389%0.09420%0.204CC..  trans-77.8142.8179.1-66.7173.1000111V41 V76 L78 A293 L296V41-L298 HydrophobicContact CG1-CB 3.84Å; V41-L298 HydrophobicContact CG1-CD1 4.39Å; V41-L298 HydrophobicContact CG1-CD2 4.33Å; V41-L298 HydrophobicContact CG1-CG 4.42Å; V41-L298 HydrophobicContact CG2-CB 4.31Å; V41-L298 HydrophobicContact CG2-CD1 4.34Å; V76-L298 HydrophobicContact CB-CD2 3.99Å; V76-L298 HydrophobicContact CG2-CD2 4.24Å; L78-L298 HydrophobicContact CD1-CD1 4.09Å; L78-L298 HydrophobicContact CD1-CD2 4.41Å; A293-L298 HydrophobicContact CB-CB 4.19Å; A293-L298 PolarHBondContact O-N 2.82Å; L296-L298 HydrophobicContact CB-CD1 4.04Å; L296-L298 HydrophobicContact CB-CG 3.87Å; L296-L298 HydrophobicContact CD1-CD1 4.05Å; L296-L298 PolarHBondContact O-N 3.12Å
299P97.8Very high98.5Very high72 Ų7240.5 Ų40.547%0.46822%0.219SC..  trans-66.5156177.329.3-35.5000111.6V41 V76V41-P299 VanDerWaalsContact CA-O 3.27Å; V41-P299 WeakPolarHBondContact CA-O 3.24Å; V41-P299 HydrophobicContact CG1-CG 4.07Å; V41-P299 WeakPolarHBondContact CG1-O 3.17Å; V76-P299 HydrophobicContact CG1-CG 4.47Å
300I98.2Very high98.5Very high45 Ų4538.9 Ų38.923%0.23122%0.216CC..  trans-112.1102.1170.5-65.4169.2000108.2V39 R290 V303 P422V39-I300 HydrophobicContact CB-CG1 4.21Å; V39-I300 HydrophobicContact CB-CG2 4.09Å; V39-I300 HydrophobicContact CG1-CD1 4.16Å; V39-I300 HydrophobicContact CG1-CG1 4.28Å; V39-I300 HydrophobicContact CG1-CG2 4.08Å; V39-I300 HydrophobicContact CG2-CG1 4.21Å; R290-I300 HydrophobicContact CG-CD1 4.31Å; I300-V303 HydrophobicContact CG2-CG2 4.31Å; I300-P422 HydrophobicContact CG2-CG 4.41Å
301L98.6Very high98.5Very high12 Ų1240.8 Ų40.86%0.06324%0.244CC..  trans-78.7-25.8175.617761.7000112V40 V41 L391 K395 Y421V40-L301 HydrophobicContact CG1-CB 4.5Å; V40-L301 HydrophobicContact CG1-CD2 4.45Å; V40-L301 WeakPolarHBondContact O-CA 3.26Å; V40-L301 WeakPolarHBondContact O-CB 3.39Å; V40-L301 PolarHBondContact O-N 2.83Å; V41-L301 WeakPolarHBondContact O-CB 3.44Å; L301-L391 HydrophobicContact CD1-CB 4.2Å; L301-L391 HydrophobicContact CD2-CB 4.04Å; L301-L391 HydrophobicContact CD2-CD1 4.29Å; L301-L391 HydrophobicContact CG-CB 3.83Å; L301-L391 HydrophobicContact CG-CD1 4.13Å; L301-K395 HydrophobicContact CD1-CB 4.18Å; L301-K395 HydrophobicContact CD1-CD 3.7Å; L301-Y421 WeakPolarHBondContact O-CD2 3.36Å
302G98.6Very high98.5Very high0 Ų039.5 Ų39.50%023%0.234CC..EExtended strand (participates in β ladder)trans-175.8177.517500000112.7V39 V40 E420V39-G302 CarbonylContact C-O 3.58Å; V39-G302 WeakPolarHBondContact CA-O 3.22Å; V40-G302 PolarHBondContact N-O 2.86Å; V40-G302 PolarHBondContact O-N 3.27Å; G302-E420 CarbonylContact C-O 3.52Å; G302-E420 WeakPolarHBondContact CA-O 3.47Å
303V98.7Very high98.5Very high1 Ų140 Ų401%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-130127.8-179.3-165.70000109.6D37 V39 I300 R305 F419 E420D37-V303 HydrophobicContact CB-CG1 3.91Å; V39-V303 HydrophobicContact CG1-CG1 4.41Å; V39-V303 HydrophobicContact CG1-CG2 4.29Å; I300-V303 HydrophobicContact CG2-CG2 4.31Å; V303-R305 VanDerWaalsContact CG1-CZ 3.42Å; V303-R305 PolarHBondContact O-N 2.72Å; V303-F419 CarbonylContact O-C 3.46Å; V303-F419 VanDerWaalsContact O-CA 3.26Å; V303-F419 WeakPolarHBondContact O-CA 3.27Å; V303-E420 HydrophobicContact CB-CB 4.37Å; V303-E420 PolarHBondContact N-O 3.2Å; V303-E420 PolarHBondContact O-N 3.22Å
304L98.8Very high98.5Very high5 Ų540.7 Ų40.73%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-79112.4175.3176.265.7000109.7V38 A134 A417 F419V38-L304 PolarHBondContact O-N 3.23Å; A134-L304 HydrophobicContact CB-CD2 3.49Å; A134-L304 VanDerWaalsContact CB-CD2 3.49Å; L304-A417 HydrophobicContact CD1-CB 4.17Å; L304-F419 HydrophobicContact CB-CD1 4.29Å; L304-F419 HydrophobicContact CB-CE1 4.04Å; L304-F419 HydrophobicContact CD1-CD1 4.21Å; L304-F419 HydrophobicContact CD1-CE1 3.7Å; L304-F419 HydrophobicContact CD1-CE2 4.33Å; L304-F419 HydrophobicContact CD1-CZ 3.76Å; L304-F419 HydrophobicContact CG-CE1 4.43Å
305R98.5Very high98.5Very high46 Ų4636.4 Ų36.417%0.17423%0.226CC..EExtended strand (participates in β ladder)trans-93.1-44.6-176.9-64.6-56.6-175.5-1650.2112.8Q32 D37 V303 A332 V418 E420Q32-R305 PolarHBondContact O-NH1 2.9Å; Q32-R305 PolarHBondContact O-NH2 2.69Å; D37-R305 IonicContact OD1-NH1 2.7Å; D37-R305 PolarHBondContact OD1-NH1 3.05Å; D37-R305 VanDerWaalsContact OD1-NH1 3.1Å; D37-R305 IonicContact OD2-CZ 3.59Å; D37-R305 IonicContact OD2-NH1 3.44Å; D37-R305 PolarHBondContact OD2-NH1 2.93Å; D37-R305 IonicContact OD2-NH2 2.81Å; V303-R305 VanDerWaalsContact CG1-CZ 3.42Å; V303-R305 PolarHBondContact O-N 2.72Å; R305-A332 HydrophobicContact CB-CB 4.33Å; R305-V418 HydrophobicContact CB-CB 4.34Å; R305-V418 HydrophobicContact CB-CG1 4.14Å; R305-V418 PolarHBondContact N-O 3.37Å; R305-E420 HydrophobicContact CG-CB 4.05Å; R305-E420 IonicContact CZ-OE2 2.92Å; R305-E420 IonicContact NE-OE2 2.69Å; R305-E420 PolarHBondContact NE-OE2 2.8Å; R305-E420 IonicContact NH2-OE1 3.26Å; R305-E420 IonicContact NH2-OE2 3.74Å; R305-E420 PolarHBondContact NH2-OE2 2.95Å
306S98.7Very high98.5Very high6 Ų630.7 Ų30.74%0.04220%0.2CC..EExtended strand (participates in β ladder)trans-149.9159178.173.20000112.3A328 A417 V418S306-A328 WeakPolarHBondContact CB-O 3.26Å; S306-A328 PolarHBondContact OG-O 3.38Å; S306-A417 CarbonylContact O-C 3.56Å; S306-A417 VanDerWaalsContact O-CA 3.25Å; S306-A417 WeakPolarHBondContact O-CA 3.47Å; S306-V418 PolarHBondContact N-O 3.22Å; S306-V418 PolarHBondContact O-N 3.33Å; S306-V418 WeakPolarHBondContact OG-CB 3.34Å; S306-V418 VanDerWaalsContact OG-CG2 3.22Å; S306-V418 WeakPolarHBondContact OG-CG2 3.14Å
307Y98.9Very high98.5Very high45 Ų4528 Ų2818%0.17619%0.186CC..EExtended strand (participates in β ladder)trans-140.9136.7170.6179.9-119.8000108.7L127 Q128 A131 V309 A415 A416 A417L127-Y307 HydrophobicContact CD2-CD2 4.4Å; L127-Y307 HydrophobicContact CD2-CE2 3.83Å; L127-Y307 HydrophobicContact CG-CD2 4.43Å; L127-Y307 HydrophobicContact CG-CE2 3.85Å; Q128-Y307 PolarHBondContact OE1-OH 3Å; A131-Y307 HydrophobicContact CB-CD1 3.3Å; A131-Y307 HydrophobicContact CB-CD2 4.29Å; A131-Y307 HydrophobicContact CB-CE1 3.34Å; A131-Y307 HydrophobicContact CB-CE2 4.32Å; A131-Y307 HydrophobicContact CB-CG 3.79Å; Y307-V309 HydrophobicContact CD1-CG2 4.31Å; Y307-V309 HydrophobicContact CE1-CG2 3.43Å; Y307-V309 VanDerWaalsContact CE1-CG2 3.43Å; Y307-V309 HydrophobicContact CE2-CG2 4.24Å; Y307-V309 VanDerWaalsContact OH-CG2 3.28Å; Y307-V309 WeakPolarHBondContact OH-CG2 3.35Å; Y307-A415 HydrophobicContact CE2-CB 4.06Å; Y307-A416 CarbonylContact C-O 3.6Å; Y307-A416 WeakPolarHBondContact CA-O 3.35Å; Y307-A416 WeakPolarHBondContact CD2-O 3.22Å; Y307-A417 HydrophobicContact CD2-CB 4.02Å
308A98.9Very high98.6Very high4 Ų424.9 Ų24.93%0.03315%0.154CC..EExtended strand (participates in β ladder)trans-135.1140.717700000110.3V327 A328 K331 A415 A416A308-V327 HydrophobicContact CB-CB 3.93Å; A308-V327 HydrophobicContact CB-CG1 3.65Å; A308-A328 HydrophobicContact CB-CB 3.92Å; A308-K331 HydrophobicContact CB-CD 4.48Å; A308-A415 CarbonylContact O-C 3.6Å; A308-A415 VanDerWaalsContact O-CA 3.25Å; A308-A415 WeakPolarHBondContact O-CA 3.36Å; A308-A416 PolarHBondContact N-O 3.42Å; A308-A416 PolarHBondContact O-N 2.74Å
309V98.9Very high98.6Very high52 Ų5224.3 Ų24.332%0.31515%0.151SC..EExtended strand (participates in β ladder)trans-128.6134.1169.5-176.30000107.6Y307 G414 A415Y307-V309 HydrophobicContact CD1-CG2 4.31Å; Y307-V309 HydrophobicContact CE1-CG2 3.43Å; Y307-V309 VanDerWaalsContact CE1-CG2 3.43Å; Y307-V309 HydrophobicContact CE2-CG2 4.24Å; Y307-V309 VanDerWaalsContact OH-CG2 3.28Å; Y307-V309 WeakPolarHBondContact OH-CG2 3.35Å; V309-G414 CarbonylContact C-O 3.49Å; V309-G414 WeakPolarHBondContact CA-O 3.16Å; V309-A415 HydrophobicContact CG2-CB 4.13Å
310V98.8Very high98.6Very high30 Ų3020.9 Ų20.918%0.18213%0.128CC..EExtended strand (participates in β ladder)trans-132.4151.3-178.9-58.70000110.6A324 V327 M413 G414V310-A324 HydrophobicContact CG2-CB 3.94Å; V310-V327 HydrophobicContact CG1-CG2 4.1Å; V310-M413 CarbonylContact O-C 3.39Å; V310-M413 WeakPolarHBondContact O-CA 3.26Å; V310-M413 VanDerWaalsContact O-CB 3.28Å; V310-M413 WeakPolarHBondContact O-CB 3.43Å; V310-G414 PolarHBondContact N-O 3.37Å; V310-G414 PolarHBondContact O-N 3.43Å
311G98.7Very high98.7Very high66 Ų6618.8 Ų18.868%0.6812%0.118SC*.EExtended strand (participates in β ladder)trans-90.8144170.800000111.8
312V98.8Very high98.7Very high21 Ų2118.6 Ų18.613%0.12712%0.118CC..  trans-140.4167.2174.6-62.70000109.2I319 Y323 G412V312-I319 HydrophobicContact CB-CD1 4.17Å; V312-I319 HydrophobicContact CB-CG1 3.96Å; V312-I319 HydrophobicContact CG1-CD1 4.36Å; V312-I319 HydrophobicContact CG1-CG1 4.02Å; V312-I319 HydrophobicContact CG2-CG1 4.11Å; V312-Y323 HydrophobicContact CG1-CD2 4.02Å; V312-Y323 HydrophobicContact CG1-CG 4.33Å; V312-G412 PolarHBondContact N-O 3.43Å; V312-G412 CarbonylContact O-C 3.59Å; V312-G412 VanDerWaalsContact O-CA 3.3Å; V312-G412 WeakPolarHBondContact O-CA 3.49Å
313P98.6Very high98.7Very high50 Ų5023.9 Ų23.933%0.32514%0.139SC..  trans-59.8133177.7-24.435.3000112.2D315 I316 M317P313-D315 VanDerWaalsContact C-N 3.31Å; P313-D315 WeakPolarHBondContact CB-OD1 3.45Å; P313-D315 PolarHBondContact O-N 2.71Å; P313-I316 HydrophobicContact CB-CD1 4.36Å; P313-I316 HydrophobicContact CB-CG1 3.85Å; P313-I316 HydrophobicContact CG-CD1 4.31Å; P313-I316 HydrophobicContact CG-CG1 4.28Å; P313-I316 CarbonylContact O-C 3.58Å; P313-I316 PolarHBondContact O-N 2.79Å; P313-M317 PolarHBondContact O-N 2.84Å
314P98.5Very high98.7Very high14 Ų1423.9 Ų23.99%0.09114%0.139CC..G310 helixtrans-63.2-33.1-177.1-21.831.7000114.1D176 T184 I316 M317D176-P314 HydrophobicContact CB-CB 3.87Å; D176-P314 HydrophobicContact CB-CG 4.21Å; T184-P314 WeakPolarHBondContact CG2-O 3.46Å; P314-I316 PolarHBondContact O-N 3.26Å; P314-M317 WeakPolarHBondContact O-CB 3.39Å; P314-M317 PolarHBondContact O-N 3.25Å
315D98.4Very high98.7Very high20 Ų2023.6 Ų23.611%0.10714%0.137CC..G310 helixtrans-66-18.1-179.669.3-57.7000113.7K173 I179 T184 N187 R191 P313K173-D315 IonicContact NZ-OD1 2.89Å; I179-D315 HydrophobicContact CD1-CB 3.83Å; T184-D315 WeakPolarHBondContact CA-O 3.46Å; T184-D315 WeakPolarHBondContact CB-O 3.36Å; N187-D315 WeakPolarHBondContact CB-O 3.28Å; N187-D315 PolarHBondContact ND2-O 3.33Å; R191-D315 IonicContact CZ-OD2 3.5Å; R191-D315 IonicContact NH1-OD2 2.76Å; R191-D315 PolarHBondContact NH1-OD2 2.83Å; R191-D315 IonicContact NH2-OD2 3.43Å; P313-D315 VanDerWaalsContact C-N 3.31Å; P313-D315 WeakPolarHBondContact CB-OD1 3.45Å; P313-D315 PolarHBondContact O-N 2.71Å
316I98.5Very high98.7Very high12 Ų1224.1 Ų24.16%0.06215%0.146CC..G310 helixtrans-133.137.7175.751.5171000111.1N187 V188 F192 P313 P314 G318 I319N187-I316 HydrophobicContact CB-CG2 3.81Å; V188-I316 HydrophobicContact CG2-CB 3.84Å; V188-I316 HydrophobicContact CG2-CG2 3.94Å; F192-I316 HydrophobicContact CE2-CD1 4.44Å; F192-I316 HydrophobicContact CZ-CD1 4.26Å; P313-I316 HydrophobicContact CB-CD1 4.36Å; P313-I316 HydrophobicContact CB-CG1 3.85Å; P313-I316 HydrophobicContact CG-CD1 4.31Å; P313-I316 HydrophobicContact CG-CG1 4.28Å; P313-I316 CarbonylContact O-C 3.58Å; P313-I316 PolarHBondContact O-N 2.79Å; P314-I316 PolarHBondContact O-N 3.26Å; I316-G318 PolarHBondContact O-N 2.89Å; I316-I319 HydrophobicContact CB-CG2 4.49Å; I316-I319 HydrophobicContact CD1-CD1 3.79Å; I316-I319 HydrophobicContact CG1-CD1 4.16Å; I316-I319 WeakPolarHBondContact O-CG1 3.48Å; I316-I319 PolarHBondContact O-N 3.47Å; I316-I319 VanDerWaalsContact O-N 3.08Å
317M98.4Very high98.7Very high2 Ų226 Ų261%0.0116%0.158CC..G310 helixtrans-49.5-27-177.168.985.3-176.700114.3M181 T184 P313 P314 I319 G320 F348 C408 I409M181-M317 HydrophobicContact CB-CE 3.94Å; M181-M317 HydrophobicContact CG-CE 3.93Å; M181-M317 HydrophobicContact SD-CE 4.09Å; T184-M317 HydrophobicContact CG2-CG 4.32Å; T184-M317 WeakPolarHBondContact OG1-CE 3.44Å; P313-M317 PolarHBondContact O-N 2.84Å; P314-M317 WeakPolarHBondContact O-CB 3.39Å; P314-M317 PolarHBondContact O-N 3.25Å; M317-I319 PolarHBondContact O-N 2.84Å; M317-G320 PolarHBondContact O-N 2.96Å; M317-F348 HydrophobicContact CE-CE2 4.28Å; M317-C408 WeakPolarHBondContact O-CB 3.42Å; M317-C408 HydrophobicContact SD-CB 3.9Å; M317-I409 WeakPolarHBondContact CB-O 3.38Å
318G98.3Very high98.7Very high2 Ų223.9 Ų23.92%0.02115%0.149CC..G310 helixtrans-54.3-23.4178.200000115.1I316 G320 P321 Q351 C355I316-G318 PolarHBondContact O-N 2.89Å; G318-G320 PolarHBondContact O-N 3.13Å; G318-P321 WeakPolarHBondContact O-CD 3.26Å; G318-Q351 VanDerWaalsContact CA-CB 3.47Å; G318-Q351 WeakPolarHBondContact O-CB 3.46Å; G318-Q351 VanDerWaalsContact O-CG 3.26Å; G318-Q351 WeakPolarHBondContact O-CG 3.44Å; G318-C355 PolarHBondContact O-SG 3.16Å
319I98.8Very high98.7Very high5 Ų523.9 Ų23.93%0.02615%0.149CC..G310 helixtrans-74.2-8.4179.174.8-176.1000113.7V188 F192 V312 I316 M317 A322 Y323 Y354V188-I319 HydrophobicContact CG2-CG2 4.21Å; F192-I319 HydrophobicContact CD2-CG2 4.46Å; F192-I319 HydrophobicContact CE2-CG2 3.62Å; F192-I319 HydrophobicContact CZ-CG2 4.14Å; V312-I319 HydrophobicContact CB-CD1 4.17Å; V312-I319 HydrophobicContact CB-CG1 3.96Å; V312-I319 HydrophobicContact CG1-CD1 4.36Å; V312-I319 HydrophobicContact CG1-CG1 4.02Å; V312-I319 HydrophobicContact CG2-CG1 4.11Å; I316-I319 HydrophobicContact CB-CG2 4.49Å; I316-I319 HydrophobicContact CD1-CD1 3.79Å; I316-I319 HydrophobicContact CG1-CD1 4.16Å; I316-I319 WeakPolarHBondContact O-CG1 3.48Å; I316-I319 PolarHBondContact O-N 3.47Å; I316-I319 VanDerWaalsContact O-N 3.08Å; M317-I319 PolarHBondContact O-N 2.84Å; I319-A322 VanDerWaalsContact O-CB 3.28Å; I319-A322 WeakPolarHBondContact O-CB 3.43Å; I319-A322 PolarHBondContact O-N 3.04Å; I319-Y323 HydrophobicContact CB-CE2 4.22Å; I319-Y323 HydrophobicContact CD1-CD2 4.32Å; I319-Y323 HydrophobicContact CD1-CE2 3.69Å; I319-Y323 HydrophobicContact CG1-CD2 4.1Å; I319-Y323 HydrophobicContact CG1-CE2 3.88Å; I319-Y323 WeakPolarHBondContact O-CD2 3.33Å; I319-Y354 HydrophobicContact CB-CD1 4.26Å; I319-Y354 HydrophobicContact CB-CE1 3.62Å; I319-Y354 HydrophobicContact CG2-CD1 3.85Å; I319-Y354 HydrophobicContact CG2-CE1 3.4Å; I319-Y354 VanDerWaalsContact CG2-CE1 3.4Å
320G98.8Very high98.7Very high0 Ų028.6 Ų28.60%017%0.167CC..Hα-helixtrans-42.9-50.5-17500000115.2M317 G318 A322 Y323 A324M317-G320 PolarHBondContact O-N 2.96Å; G318-G320 PolarHBondContact O-N 3.13Å; G320-A322 VanDerWaalsContact C-N 3.27Å; G320-A322 PolarHBondContact O-N 3.19Å; G320-Y323 PolarHBondContact O-N 2.75Å; G320-Y323 VanDerWaalsContact O-N 3.08Å; G320-A324 WeakPolarHBondContact O-CB 3.48Å; G320-A324 PolarHBondContact O-N 3.49Å
321P98.9Very high98.7Very high2 Ų233.7 Ų33.71%0.01319%0.187CC..Hα-helixtrans-56.7-36.3178.3-28.336.4000114.2G318 Y323 A324 I325 I344 C355 S406 C408G318-P321 WeakPolarHBondContact O-CD 3.26Å; P321-Y323 PolarHBondContact O-N 2.94Å; P321-Y323 VanDerWaalsContact O-N 3.13Å; P321-A324 PolarHBondContact O-N 3.39Å; P321-I325 HydrophobicContact CB-CD1 4.15Å; P321-I325 WeakPolarHBondContact O-CB 3.42Å; P321-I325 VanDerWaalsContact O-CG1 3.29Å; P321-I325 WeakPolarHBondContact O-CG1 3.37Å; P321-I325 PolarHBondContact O-N 2.84Å; P321-I344 HydrophobicContact CB-CG2 4.22Å; P321-I344 HydrophobicContact CG-CG2 4.23Å; P321-C355 HydrophobicContact CB-CB 4.13Å; P321-S406 WeakPolarHBondContact CB-OG 3.5Å; P321-C408 HydrophobicContact CG-CB 4.43Å
322A98.8Very high98.6Very high8 Ų831.9 Ų31.97%0.06617%0.166CC..Hα-helixtrans-62.6-20.2179.800000113.1I319 G320 P326 Y354 K358I319-A322 VanDerWaalsContact O-CB 3.28Å; I319-A322 WeakPolarHBondContact O-CB 3.43Å; I319-A322 PolarHBondContact O-N 3.04Å; G320-A322 VanDerWaalsContact C-N 3.27Å; G320-A322 PolarHBondContact O-N 3.19Å; A322-P326 WeakPolarHBondContact O-CD 3.43Å; A322-P326 WeakPolarHBondContact O-CG 3.38Å; A322-Y354 HydrophobicContact CB-CE1 4.02Å; A322-K358 HydrophobicContact CB-CB 4.41Å; A322-K358 HydrophobicContact CB-CG 4.02Å
323Y98.8Very high98.6Very high111 Ų11133.1 Ų33.144%0.43518%0.183SC..Hα-helixtrans-108.9-31.3178-65-91.1000112.6V312 I319 G320 P321 V327V312-Y323 HydrophobicContact CG1-CD2 4.02Å; V312-Y323 HydrophobicContact CG1-CG 4.33Å; I319-Y323 HydrophobicContact CB-CE2 4.22Å; I319-Y323 HydrophobicContact CD1-CD2 4.32Å; I319-Y323 HydrophobicContact CD1-CE2 3.69Å; I319-Y323 HydrophobicContact CG1-CD2 4.1Å; I319-Y323 HydrophobicContact CG1-CE2 3.88Å; I319-Y323 WeakPolarHBondContact O-CD2 3.33Å; G320-Y323 PolarHBondContact O-N 2.75Å; G320-Y323 VanDerWaalsContact O-N 3.08Å; P321-Y323 PolarHBondContact O-N 2.94Å; P321-Y323 VanDerWaalsContact O-N 3.13Å; Y323-V327 WeakPolarHBondContact O-CG2 3.31Å
324A98.9Very high98.5Very high0 Ų031.3 Ų31.30%017%0.17CC..Hα-helixtrans-74-41.3179.100000112.8V310 G320 P321 V327 A328 A416V310-A324 HydrophobicContact CG2-CB 3.94Å; G320-A324 WeakPolarHBondContact O-CB 3.48Å; G320-A324 PolarHBondContact O-N 3.49Å; P321-A324 PolarHBondContact O-N 3.39Å; A324-V327 PolarHBondContact O-N 3.07Å; A324-A328 PolarHBondContact O-N 3.28Å; A324-A416 HydrophobicContact CB-CB 3.82Å
325I98.9Very high98.5Very high0 Ų033.9 Ų33.90%019%0.186CC..Hα-helixtrans-60.8-50-177.1-67.7171.8000111.3P321 V327 A328 L329 F342 I344 L359 V404 S406 A416P321-I325 HydrophobicContact CB-CD1 4.15Å; P321-I325 WeakPolarHBondContact O-CB 3.42Å; P321-I325 VanDerWaalsContact O-CG1 3.29Å; P321-I325 WeakPolarHBondContact O-CG1 3.37Å; P321-I325 PolarHBondContact O-N 2.84Å; I325-V327 VanDerWaalsContact C-N 3.28Å; I325-V327 PolarHBondContact O-N 3.31Å; I325-A328 PolarHBondContact O-N 3.47Å; I325-L329 HydrophobicContact CG2-CD1 3.72Å; I325-L329 HydrophobicContact CG2-CG 4.15Å; I325-L329 WeakPolarHBondContact O-CG 3.34Å; I325-L329 PolarHBondContact O-N 2.79Å; I325-F342 HydrophobicContact CG2-CE1 4.21Å; I325-I344 HydrophobicContact CD1-CD1 3.7Å; I325-I344 HydrophobicContact CD1-CG1 4.09Å; I325-L359 HydrophobicContact CB-CD1 3.95Å; I325-L359 HydrophobicContact CD1-CD1 3.68Å; I325-L359 HydrophobicContact CG1-CD1 4.35Å; I325-L359 HydrophobicContact CG2-CD1 4.16Å; I325-V404 HydrophobicContact CD1-CG1 4.36Å; I325-V404 HydrophobicContact CG1-CG1 4Å; I325-V404 HydrophobicContact CG2-CG1 4.43Å; I325-S406 WeakPolarHBondContact CG1-OG 3.26Å; I325-A416 HydrophobicContact CG1-CB 3.95Å
326P98.8Very high98.5Very high56 Ų5635 Ų3536%0.36419%0.193SC..Hα-helixtrans-55.8-41.2176.9-27.736.3000113.4A322 L329 Q330 L359A322-P326 WeakPolarHBondContact O-CD 3.43Å; A322-P326 WeakPolarHBondContact O-CG 3.38Å; P326-L329 PolarHBondContact O-N 3.05Å; P326-Q330 WeakPolarHBondContact O-CB 3.19Å; P326-Q330 PolarHBondContact O-N 2.89Å; P326-L359 HydrophobicContact CG-CD2 3.63Å
327V98.8Very high98.5Very high46 Ų4638.8 Ų38.828%0.27922%0.221SC..Hα-helixtrans-67.3-41.8179.2178.60000111.4A308 V310 Y323 A324 I325 K331A308-V327 HydrophobicContact CB-CB 3.93Å; A308-V327 HydrophobicContact CB-CG1 3.65Å; V310-V327 HydrophobicContact CG1-CG2 4.1Å; Y323-V327 WeakPolarHBondContact O-CG2 3.31Å; A324-V327 PolarHBondContact O-N 3.07Å; I325-V327 VanDerWaalsContact C-N 3.28Å; I325-V327 PolarHBondContact O-N 3.31Å; V327-K331 HydrophobicContact CG1-CD 4.3Å; V327-K331 WeakPolarHBondContact O-CB 3.41Å; V327-K331 WeakPolarHBondContact O-CG 3.45Å; V327-K331 PolarHBondContact O-N 2.83Å
328A98.8Very high98.4Very high0 Ų040.9 Ų40.90%023%0.232CC..Hα-helixtrans-65-42.6176.800000111.7S306 A308 A324 I325 K331 A332 A416 V418S306-A328 WeakPolarHBondContact CB-O 3.26Å; S306-A328 PolarHBondContact OG-O 3.38Å; A308-A328 HydrophobicContact CB-CB 3.92Å; A324-A328 PolarHBondContact O-N 3.28Å; I325-A328 PolarHBondContact O-N 3.47Å; A328-K331 PolarHBondContact O-N 3.05Å; A328-A332 PolarHBondContact O-N 3.41Å; A328-A332 VanDerWaalsContact O-N 3.08Å; A328-A416 HydrophobicContact CB-CB 3.75Å; A328-V418 HydrophobicContact CB-CG2 4.12Å
329L98.7Very high98.5Very high4 Ų440.8 Ų40.82%0.02123%0.231CC..Hα-helixtrans-63.7-45.9176.7-68.3175.3000111.9I325 P326 K331 A332 G333 L334 V336 V339 V404 V418I325-L329 HydrophobicContact CG2-CD1 3.72Å; I325-L329 HydrophobicContact CG2-CG 4.15Å; I325-L329 WeakPolarHBondContact O-CG 3.34Å; I325-L329 PolarHBondContact O-N 2.79Å; P326-L329 PolarHBondContact O-N 3.05Å; L329-K331 VanDerWaalsContact C-N 3.31Å; L329-K331 PolarHBondContact O-N 3.05Å; L329-A332 CarbonylContact O-C 3.48Å; L329-A332 WeakPolarHBondContact O-CA 3.38Å; L329-A332 PolarHBondContact O-N 3.04Å; L329-G333 PolarHBondContact O-N 3.09Å; L329-L334 CarbonylContact C-O 3.56Å; L329-L334 HydrophobicContact CD2-CB 4.13Å; L329-L334 PolarHBondContact O-N 3.08Å; L329-V336 HydrophobicContact CD1-CG2 3.87Å; L329-V339 HydrophobicContact CD2-CG2 3.49Å; L329-V339 VanDerWaalsContact CD2-CG2 3.49Å; L329-V404 HydrophobicContact CD2-CG2 3.94Å; L329-V418 HydrophobicContact CD2-CG2 3.99Å
330Q98.4Very high98.5Very high151 Ų15143.3 Ų43.371%0.70625%0.245SC*.Hα-helixtrans-56.9-44.9175.3-175.1-174.813.200111.6P326 A332 G333P326-Q330 WeakPolarHBondContact O-CB 3.19Å; P326-Q330 PolarHBondContact O-N 2.89Å; Q330-A332 PolarHBondContact O-N 2.8Å; Q330-G333 PolarHBondContact O-N 2.94Å; Q330-G333 VanDerWaalsContact O-N 3.08Å
331K98.3Very high98.5Very high137 Ų13743.3 Ų43.360%0.59625%0.245SC*.Hα-helixtrans-63.4-28.3176.5-75.7174.7179.9-67.80113.4A308 V327 A328 L329A308-K331 HydrophobicContact CB-CD 4.48Å; V327-K331 HydrophobicContact CG1-CD 4.3Å; V327-K331 WeakPolarHBondContact O-CB 3.41Å; V327-K331 WeakPolarHBondContact O-CG 3.45Å; V327-K331 PolarHBondContact O-N 2.83Å; A328-K331 PolarHBondContact O-N 3.05Å; L329-K331 VanDerWaalsContact C-N 3.31Å; L329-K331 PolarHBondContact O-N 3.05Å
332A98Very high98.5Very high29 Ų2943.2 Ų43.224%0.2424%0.244CC..Hα-helixtrans-87.7-4.2175.800000113.2R305 A328 L329 Q330 L334 V418R305-A332 HydrophobicContact CB-CB 4.33Å; A328-A332 PolarHBondContact O-N 3.41Å; A328-A332 VanDerWaalsContact O-N 3.08Å; L329-A332 CarbonylContact O-C 3.48Å; L329-A332 WeakPolarHBondContact O-CA 3.38Å; L329-A332 PolarHBondContact O-N 3.04Å; Q330-A332 PolarHBondContact O-N 2.8Å; A332-L334 HydrophobicContact CB-CD1 4.03Å; A332-L334 HydrophobicContact CB-CG 4.06Å; A332-V418 HydrophobicContact CB-CB 4.09Å; A332-V418 HydrophobicContact CB-CG1 3.99Å; A332-V418 HydrophobicContact CB-CG2 4.04Å
333G97.4Very high98.5Very high46 Ų4643 Ų4347%0.47424%0.241SC..THydrogen-bonded Turntrans68.632.8-174.400000113.5L329 Q330L329-G333 PolarHBondContact O-N 3.09Å; Q330-G333 PolarHBondContact O-N 2.94Å; Q330-G333 VanDerWaalsContact O-N 3.08Å
334L98Very high98.5Very high12 Ų1237.8 Ų37.86%0.06322%0.221CC..  trans-122.3164.2-176.3-60.3177.8000112.1L329 A332 D338 Y402 V418L329-L334 CarbonylContact C-O 3.56Å; L329-L334 HydrophobicContact CD2-CB 4.13Å; L329-L334 PolarHBondContact O-N 3.08Å; A332-L334 HydrophobicContact CB-CD1 4.03Å; A332-L334 HydrophobicContact CB-CG 4.06Å; L334-D338 HydrophobicContact CB-CB 4.28Å; L334-D338 HydrophobicContact CD2-CB 3.98Å; L334-Y402 HydrophobicContact CD1-CD1 3.63Å; L334-Y402 HydrophobicContact CD1-CD2 3.92Å; L334-Y402 HydrophobicContact CD1-CE1 3.96Å; L334-Y402 HydrophobicContact CD1-CE2 4.22Å; L334-Y402 HydrophobicContact CD1-CG 3.6Å; L334-Y402 HydrophobicContact CD2-CD2 4.11Å; L334-Y402 HydrophobicContact CD2-CE2 3.78Å; L334-V418 HydrophobicContact CD1-CG1 3.83Å
335T98.2Very high98.5Very high68 Ų6837.8 Ų37.842%0.41722%0.221SC..  trans-115171.6171.168.70000110.5S337 D338T335-S337 PolarHBondContact O-N 2.8Å; T335-S337 PolarHBondContact OG1-OG 3.14Å; T335-D338 WeakPolarHBondContact CA-OD2 3.44Å; T335-D338 WeakPolarHBondContact CB-OD2 3.41Å; T335-D338 PolarHBondContact N-OD2 3.37Å; T335-D338 PolarHBondContact O-N 3.27Å; T335-D338 VanDerWaalsContact OG1-CG 3.29Å; T335-D338 PolarHBondContact OG1-OD2 3.24Å
336V98.3Very high98.5Very high44 Ų4437.8 Ų37.827%0.26722%0.221SC..G310 helixtrans-60-33.8176.2168.30000112L329 D338 V339 F342 L361L329-V336 HydrophobicContact CD1-CG2 3.87Å; V336-D338 VanDerWaalsContact C-N 3.25Å; V336-D338 PolarHBondContact O-N 2.7Å; V336-V339 PolarHBondContact O-N 2.63Å; V336-F342 HydrophobicContact CG1-CZ 4.19Å; V336-L361 HydrophobicContact CB-CD2 4.49Å; V336-L361 HydrophobicContact CG1-CD2 3.49Å; V336-L361 VanDerWaalsContact CG1-CD2 3.49Å; V336-L361 HydrophobicContact CG2-CD2 4.16Å
337S97.6Very high98.4Very high92 Ų9235.3 Ų35.364%0.64321%0.206SC*.G310 helixtrans-68.5-23.5-179.7370000113.7T335 V339T335-S337 PolarHBondContact O-N 2.8Å; T335-S337 PolarHBondContact OG1-OG 3.14Å; S337-V339 VanDerWaalsContact C-N 3.27Å; S337-V339 PolarHBondContact O-N 3.31Å
338D97.8Very high98.4Very high45 Ų4533.9 Ų33.924%0.24120%0.196CC..G310 helixtrans-80.2-8.1-178.4-54.7-46.5000113.2L334 T335 V336L334-D338 HydrophobicContact CB-CB 4.28Å; L334-D338 HydrophobicContact CD2-CB 3.98Å; T335-D338 WeakPolarHBondContact CA-OD2 3.44Å; T335-D338 WeakPolarHBondContact CB-OD2 3.41Å; T335-D338 PolarHBondContact N-OD2 3.37Å; T335-D338 PolarHBondContact O-N 3.27Å; T335-D338 VanDerWaalsContact OG1-CG 3.29Å; T335-D338 PolarHBondContact OG1-OD2 3.24Å; V336-D338 VanDerWaalsContact C-N 3.25Å; V336-D338 PolarHBondContact O-N 2.7Å
339V98.7Very high98.4Very high0 Ų033.9 Ų33.90%020%0.196CC..EExtended strand (participates in β ladder)trans-97.2132.4-176.1-177.70000110.7L329 V336 S337 I341 F342 K365 V404L329-V339 HydrophobicContact CD2-CG2 3.49Å; L329-V339 VanDerWaalsContact CD2-CG2 3.49Å; V336-V339 PolarHBondContact O-N 2.63Å; S337-V339 VanDerWaalsContact C-N 3.27Å; S337-V339 PolarHBondContact O-N 3.31Å; V339-I341 VanDerWaalsContact CG1-O 3.29Å; V339-I341 WeakPolarHBondContact CG1-O 3.48Å; V339-F342 HydrophobicContact CB-CE1 4.04Å; V339-F342 HydrophobicContact CB-CE2 3.66Å; V339-F342 HydrophobicContact CB-CZ 3.38Å; V339-F342 HydrophobicContact CG1-CD1 4.13Å; V339-F342 HydrophobicContact CG1-CD2 3.91Å; V339-F342 HydrophobicContact CG1-CE1 3.76Å; V339-F342 HydrophobicContact CG1-CE2 3.52Å; V339-F342 HydrophobicContact CG1-CG 4.19Å; V339-F342 HydrophobicContact CG1-CZ 3.45Å; V339-F342 VanDerWaalsContact CG1-CZ 3.45Å; V339-F342 HydrophobicContact CG2-CE1 4.16Å; V339-F342 HydrophobicContact CG2-CZ 3.83Å; V339-K365 WeakPolarHBondContact O-CD 3.34Å; V339-K365 PolarHBondContact O-NZ 2.82Å; V339-V404 HydrophobicContact CG1-CB 4.39Å; V339-V404 HydrophobicContact CG1-CG2 3.88Å; V339-V404 HydrophobicContact CG2-CG2 3.96Å
340D98.6Very high98.4Very high59 Ų5933.7 Ų33.732%0.31620%0.195SC..EExtended strand (participates in β ladder)trans-88.9-35.2-179.7-68.2-96.9000113K365 L394 A401 Y402D340-K365 WeakPolarHBondContact O-CB 3.47Å; D340-K365 WeakPolarHBondContact O-CG 3.39Å; D340-L394 HydrophobicContact CB-CD2 4.18Å; D340-A401 HydrophobicContact CB-CB 4.03Å; D340-A401 WeakPolarHBondContact OD2-CA 3.32Å; D340-A401 VanDerWaalsContact OD2-CB 3.31Å; D340-A401 WeakPolarHBondContact OD2-CB 3.16Å; D340-Y402 PolarHBondContact N-O 3.08Å; D340-Y402 PolarHBondContact OD2-N 2.99Å
341I98.8Very high98.4Very high0 Ų026.6 Ų26.60%016%0.162CC..EExtended strand (participates in β ladder)trans-141.8136-176.7-56.9-178.2000111V339 K365 P368 L390 E393 L394 R397 G403 V404V339-I341 VanDerWaalsContact CG1-O 3.29Å; V339-I341 WeakPolarHBondContact CG1-O 3.48Å; I341-K365 WeakPolarHBondContact CA-O 3.42Å; I341-P368 HydrophobicContact CD1-CG 4.29Å; I341-P368 HydrophobicContact CG2-CG 3.85Å; I341-L390 HydrophobicContact CB-CD1 3.62Å; I341-L390 HydrophobicContact CG2-CD1 3.49Å; I341-L390 VanDerWaalsContact CG2-CD1 3.49Å; I341-E393 HydrophobicContact CD1-CB 4Å; I341-E393 HydrophobicContact CD1-CG 3.31Å; I341-L394 HydrophobicContact CB-CD2 4.26Å; I341-L394 HydrophobicContact CD1-CD2 3.47Å; I341-L394 VanDerWaalsContact CD1-CD2 3.47Å; I341-L394 HydrophobicContact CD1-CG 4.05Å; I341-L394 HydrophobicContact CG1-CD2 3.76Å; I341-R397 VanDerWaalsContact CD1-CZ 3.43Å; I341-G403 CarbonylContact O-C 2.89Å; I341-G403 VanDerWaalsContact O-CA 3.28Å; I341-G403 WeakPolarHBondContact O-CA 3.5Å; I341-V404 PolarHBondContact O-N 2.74Å
342F98.9Very high98.4Very high0 Ų020.2 Ų20.20%013%0.134CC..EExtended strand (participates in β ladder)trans-116.2113.9170.2-62.7-95.3000109.6I325 V336 V339 I344 L361 K365 V366 N367 V404I325-F342 HydrophobicContact CG2-CE1 4.21Å; V336-F342 HydrophobicContact CG1-CZ 4.19Å; V339-F342 HydrophobicContact CB-CE1 4.04Å; V339-F342 HydrophobicContact CB-CE2 3.66Å; V339-F342 HydrophobicContact CB-CZ 3.38Å; V339-F342 HydrophobicContact CG1-CD1 4.13Å; V339-F342 HydrophobicContact CG1-CD2 3.91Å; V339-F342 HydrophobicContact CG1-CE1 3.76Å; V339-F342 HydrophobicContact CG1-CE2 3.52Å; V339-F342 HydrophobicContact CG1-CG 4.19Å; V339-F342 HydrophobicContact CG1-CZ 3.45Å; V339-F342 VanDerWaalsContact CG1-CZ 3.45Å; V339-F342 HydrophobicContact CG2-CE1 4.16Å; V339-F342 HydrophobicContact CG2-CZ 3.83Å; F342-I344 HydrophobicContact CB-CD1 4.26Å; F342-I344 HydrophobicContact CB-CG1 4.09Å; F342-I344 PolarHBondContact O-N 2.81Å; F342-L361 HydrophobicContact CD1-CD1 4.05Å; F342-L361 HydrophobicContact CD1-CD2 4.5Å; F342-L361 HydrophobicContact CD2-CD1 4.44Å; F342-L361 HydrophobicContact CE1-CD1 4.35Å; F342-L361 HydrophobicContact CE1-CD2 3.99Å; F342-L361 HydrophobicContact CE2-CD2 4.18Å; F342-L361 HydrophobicContact CG-CD1 4.11Å; F342-L361 HydrophobicContact CZ-CD2 3.8Å; F342-K365 HydrophobicContact CD2-CB 4.13Å; F342-K365 PolarHBondContact N-O 3.47Å; F342-V366 HydrophobicContact CB-CG2 4.27Å; F342-V366 CarbonylContact O-C 3.57Å; F342-V366 WeakPolarHBondContact O-CA 3.39Å; F342-N367 PolarHBondContact O-N 3.43Å; F342-N367 PolarHBondContact O-OD1 3.01Å; F342-V404 CarbonylContact C-O 3.57Å; F342-V404 WeakPolarHBondContact CA-O 3.47Å; F342-V404 HydrophobicContact CD1-CB 3.66Å; F342-V404 HydrophobicContact CD1-CG1 4.07Å; F342-V404 HydrophobicContact CD1-CG2 4.07Å; F342-V404 HydrophobicContact CE1-CB 4.07Å; F342-V404 HydrophobicContact CE1-CG2 3.94Å; F342-V404 HydrophobicContact CG-CB 4.49Å
343E98.9Very high98.5Very high2 Ų219 Ų191%0.00912%0.124CC..EExtended strand (participates in β ladder)trans-88.790.8163.5-81.2-68.9134.800108.7N367 R385 Q386 L390 V404 V405 S406E343-N367 VanDerWaalsContact CA-OD1 3.27Å; E343-N367 WeakPolarHBondContact CA-OD1 3.35Å; E343-R385 IonicContact OE2-NH1 2.98Å; E343-R385 PolarHBondContact OE2-NH1 2.95Å; E343-Q386 HydrophobicContact CB-CB 4.14Å; E343-Q386 HydrophobicContact CB-CG 4.37Å; E343-Q386 PolarHBondContact O-NE2 2.96Å; E343-L390 HydrophobicContact CG-CB 3.95Å; E343-L390 HydrophobicContact CG-CD1 4.41Å; E343-V404 PolarHBondContact N-O 3.23Å; E343-V405 HydrophobicContact CB-CG2 4.36Å; E343-V405 CarbonylContact O-C 3.56Å; E343-V405 WeakPolarHBondContact O-CA 3.35Å; E343-S406 PolarHBondContact O-N 3.21Å
344I98.9Very high98.5Very high2 Ų217.6 Ų17.61%0.0111%0.105CC..EExtended strand (participates in β ladder)trans-101.3120.4176.7-58.7-179.8000108.9P321 I325 F342 E346 V356 L361 V366 N367 S406P321-I344 HydrophobicContact CB-CG2 4.22Å; P321-I344 HydrophobicContact CG-CG2 4.23Å; I325-I344 HydrophobicContact CD1-CD1 3.7Å; I325-I344 HydrophobicContact CD1-CG1 4.09Å; F342-I344 HydrophobicContact CB-CD1 4.26Å; F342-I344 HydrophobicContact CB-CG1 4.09Å; F342-I344 PolarHBondContact O-N 2.81Å; I344-E346 PolarHBondContact O-N 2.94Å; I344-V356 HydrophobicContact CD1-CG2 4.47Å; I344-L361 HydrophobicContact CD1-CD1 3.44Å; I344-L361 VanDerWaalsContact CD1-CD1 3.44Å; I344-V366 HydrophobicContact CB-CG1 4.45Å; I344-V366 HydrophobicContact CD1-CG1 4.48Å; I344-N367 PolarHBondContact N-OD1 3.17Å; I344-N367 PolarHBondContact O-ND2 2.9Å; I344-N367 PolarHBondContact O-OD1 3.29Å; I344-S406 CarbonylContact C-O 3.55Å; I344-S406 WeakPolarHBondContact CA-O 3.44Å
345N98.8Very high98.6Very high1 Ų117 Ų171%0.00510%0.102CC..  trans-61.2130.9-176.3-172.836.7000111.9A347 Q351 A372 H377 T382 S406 M407N345-A347 VanDerWaalsContact C-N 3.34Å; N345-A347 PolarHBondContact O-N 2.88Å; N345-Q351 PolarHBondContact O-NE2 3.23Å; N345-A372 VanDerWaalsContact OD1-CB 3.26Å; N345-A372 WeakPolarHBondContact OD1-CB 3.24Å; N345-H377 PolarHBondContact ND2-CE1 2.85Å; N345-H377 PolarHBondContact ND2-NE2 3.19Å; N345-T382 HydrophobicContact CB-CG2 4.5Å; N345-S406 PolarHBondContact N-O 3.43Å; N345-M407 HydrophobicContact CB-CB 3.55Å
346E98.8Very high98.6Very high0 Ų014.5 Ų14.50%09%0.086CC..  trans-96.154.8-176.5-49.4177.6163.600110.5F202 S206 S276 I344 F348 N367 G371 A372 V373F202-E346 HydrophobicContact CE1-CB 4.41Å; F202-E346 HydrophobicContact CE1-CG 3.82Å; F202-E346 WeakPolarHBondContact CE1-OE1 3.32Å; F202-E346 HydrophobicContact CZ-CG 4.37Å; S206-E346 VanDerWaalsContact CB-OE2 3.31Å; S206-E346 WeakPolarHBondContact CB-OE2 3.47Å; S206-E346 PolarHBondContact OG-OE1 2.93Å; S206-E346 PolarHBondContact OG-OE2 3.47Å; S276-E346 WeakPolarHBondContact CB-O 3.39Å; I344-E346 PolarHBondContact O-N 2.94Å; E346-F348 PolarHBondContact O-N 3.25Å; E346-N367 WeakPolarHBondContact CG-ND2 3.38Å; E346-N367 PolarHBondContact OE1-ND2 2.78Å; E346-G371 PolarHBondContact OE1-N 3.11Å; E346-G371 WeakPolarHBondContact OE2-CA 3.48Å; E346-G371 PolarHBondContact OE2-N 2.85Å; E346-A372 HydrophobicContact CB-CB 4.17Å; E346-A372 PolarHBondContact OE2-N 3.11Å; E346-V373 HydrophobicContact CB-CG2 3.84Å; E346-V373 PolarHBondContact OE2-N 2.99Å; E346-V373 VanDerWaalsContact OE2-N 3.12Å
347A97.9Very high98.6Very high4 Ų416.8 Ų16.83%0.0339%0.094CC..SBendtrans-52.2-45.5179.200000111.1S276 N345S276-A347 WeakPolarHBondContact CB-O 3.42Å; S276-A347 PolarHBondContact N-O 3.09Å; S276-A347 PolarHBondContact OG-O 3.47Å; N345-A347 VanDerWaalsContact C-N 3.34Å; N345-A347 PolarHBondContact O-N 2.88Å
348F98.8Very high98.6Very high16 Ų1618.1 Ų18.17%0.079%0.088CC..BIsolated β-bridgetrans-137.5162163.5-46.2-93.6000110.2M181 S185 F264 T270 N274 S275 M317 E346 S350 Q351 A352M181-F348 HydrophobicContact CB-CE2 4.03Å; M181-F348 HydrophobicContact CB-CZ 4.01Å; S185-F348 VanDerWaalsContact CB-CG 3.45Å; S185-F348 WeakPolarHBondContact OG-CB 3.33Å; S185-F348 VanDerWaalsContact OG-CG 3.29Å; S185-F348 WeakPolarHBondContact OG-CG 2.91Å; F264-F348 AromaticContact CE2-CE1 3.84Å; F264-F348 HydrophobicContact CE2-CE1 3.84Å; F264-F348 HydrophobicContact CZ-CE1 4.06Å; T270-F348 HydrophobicContact CG2-CD1 3.54Å; T270-F348 HydrophobicContact CG2-CE1 4.11Å; T270-F348 HydrophobicContact CG2-CG 4.41Å; N274-F348 CarbonylContact O-C 3.48Å; S275-F348 WeakPolarHBondContact OG-CD1 3.33Å; M317-F348 HydrophobicContact CE-CE2 4.28Å; E346-F348 PolarHBondContact O-N 3.25Å; F348-S350 VanDerWaalsContact C-N 3.32Å; F348-Q351 VanDerWaalsContact N-NE2 3.19Å; F348-Q351 PolarHBondContact O-NE2 3.3Å; F348-Q351 PolarHBondContact O-OE1 2.65Å; F348-A352 WeakPolarHBondContact O-CB 3.49Å; F348-A352 PolarHBondContact O-N 3.27Å
349A98.8Very high98.7Very high0 Ų017.1 Ų17.10%08%0.082CC..Hα-helixtrans-72.1-30.1175.800000111.5Q199 F202 N274 A352 A353Q199-A349 HydrophobicContact CB-CB 3.83Å; Q199-A349 HydrophobicContact CG-CB 4.26Å; Q199-A349 WeakPolarHBondContact O-CB 3.22Å; F202-A349 HydrophobicContact CB-CB 4.26Å; F202-A349 HydrophobicContact CD1-CB 4.28Å; N274-A349 HydrophobicContact CB-CB 3.91Å; N274-A349 WeakPolarHBondContact O-CB 3.43Å; N274-A349 PolarHBondContact O-N 3.21Å; A349-A352 PolarHBondContact O-N 3.13Å; A349-A353 VanDerWaalsContact O-CB 3.24Å; A349-A353 WeakPolarHBondContact O-CB 3.22Å; A349-A353 PolarHBondContact O-N 3.41Å
350S98.6Very high98.7Very high0 Ų027.4 Ų27.40%012%0.121CC..Hα-helixtrans-59.8-50.5-178.6700000112.5S185 F348 Y354S185-S350 WeakPolarHBondContact CA-OG 3.12Å; S185-S350 PolarHBondContact O-OG 2.84Å; S185-S350 PolarHBondContact OG-OG 2.84Å; F348-S350 VanDerWaalsContact C-N 3.32Å; S350-Y354 WeakPolarHBondContact O-CB 3.29Å; S350-Y354 PolarHBondContact O-N 3.37Å; S350-Y354 VanDerWaalsContact O-N 3.11Å
351Q98.5Very high98.7Very high2 Ų225 Ų251%0.00911%0.108CC..Hα-helixtrans-75.8-32.6-18096.4-64.8-33.300113V188 G318 N345 F348 C355V188-Q351 HydrophobicContact CG1-CB 4.19Å; G318-Q351 VanDerWaalsContact CA-CB 3.47Å; G318-Q351 WeakPolarHBondContact O-CB 3.46Å; G318-Q351 VanDerWaalsContact O-CG 3.26Å; G318-Q351 WeakPolarHBondContact O-CG 3.44Å; N345-Q351 PolarHBondContact O-NE2 3.23Å; F348-Q351 VanDerWaalsContact N-NE2 3.19Å; F348-Q351 PolarHBondContact O-NE2 3.3Å; F348-Q351 PolarHBondContact O-OE1 2.65Å; Q351-C355 WeakPolarHBondContact O-CB 3.14Å; Q351-C355 PolarHBondContact O-N 3.45Å; Q351-C355 PolarHBondContact O-SG 3.48Å
352A98.6Very high98.6Very high2 Ų226.9 Ų26.92%0.01712%0.121CC..Hα-helixtrans-65.6-49.317900000110.1F202 F348 A349 Y354 C355 V356F202-A352 HydrophobicContact CD1-CB 4.43Å; F202-A352 HydrophobicContact CE1-CB 3.71Å; F202-A352 HydrophobicContact CE2-CB 4.17Å; F202-A352 HydrophobicContact CZ-CB 3.57Å; F348-A352 WeakPolarHBondContact O-CB 3.49Å; F348-A352 PolarHBondContact O-N 3.27Å; A349-A352 PolarHBondContact O-N 3.13Å; A352-Y354 PolarHBondContact O-N 3.12Å; A352-C355 PolarHBondContact O-N 3.34Å; A352-V356 VanDerWaalsContact O-CG2 3.32Å; A352-V356 WeakPolarHBondContact O-CG2 3.28Å; A352-V356 PolarHBondContact O-N 2.77Å
353A98.7Very high98.6Very high4 Ų431.4 Ų31.43%0.03315%0.15CC..Hα-helixtrans-59.5-46.7175.200000111.6I194 K198 F202 A349 C355 V356 E357I194-A353 HydrophobicContact CG2-CB 4.08Å; K198-A353 HydrophobicContact CG-CB 4.41Å; F202-A353 HydrophobicContact CD2-CB 4.19Å; A349-A353 VanDerWaalsContact O-CB 3.24Å; A349-A353 WeakPolarHBondContact O-CB 3.22Å; A349-A353 PolarHBondContact O-N 3.41Å; A353-C355 PolarHBondContact O-N 3Å; A353-V356 PolarHBondContact O-N 2.97Å; A353-E357 WeakPolarHBondContact O-CG 3.33Å; A353-E357 PolarHBondContact O-N 3.2Å
354Y98.8Very high98.5Very high17 Ų1737.5 Ų37.57%0.06718%0.179CC..Hα-helixtrans-54.4-49.4175167-96.2000112.4V188 F192 I319 A322 S350 A352 V356 E357 K358V188-Y354 HydrophobicContact CG1-CG 4.33Å; F192-Y354 HydrophobicContact CB-CD2 3.59Å; F192-Y354 HydrophobicContact CB-CE2 3.86Å; F192-Y354 HydrophobicContact CD1-CD2 4.21Å; F192-Y354 AromaticContact CD1-CE2 3.56Å; F192-Y354 HydrophobicContact CD1-CE2 3.56Å; F192-Y354 AromaticContact CD2-CD2 3.75Å; F192-Y354 HydrophobicContact CD2-CD2 3.75Å; F192-Y354 AromaticContact CD2-CE2 3.66Å; F192-Y354 HydrophobicContact CD2-CE2 3.66Å; F192-Y354 HydrophobicContact CD2-CG 4.31Å; F192-Y354 AromaticContact CE1-CE2 3.95Å; F192-Y354 HydrophobicContact CE1-CE2 3.95Å; F192-Y354 HydrophobicContact CE2-CD2 4.48Å; F192-Y354 HydrophobicContact CE2-CE2 4.05Å; F192-Y354 AromaticContact CG-CD2 3.58Å; F192-Y354 HydrophobicContact CG-CD2 3.58Å; F192-Y354 AromaticContact CG-CE2 3.39Å; F192-Y354 HydrophobicContact CG-CE2 3.39Å; F192-Y354 HydrophobicContact CZ-CE2 4.18Å; I319-Y354 HydrophobicContact CB-CD1 4.26Å; I319-Y354 HydrophobicContact CB-CE1 3.62Å; I319-Y354 HydrophobicContact CG2-CD1 3.85Å; I319-Y354 HydrophobicContact CG2-CE1 3.4Å; I319-Y354 VanDerWaalsContact CG2-CE1 3.4Å; A322-Y354 HydrophobicContact CB-CE1 4.02Å; S350-Y354 WeakPolarHBondContact O-CB 3.29Å; S350-Y354 PolarHBondContact O-N 3.37Å; S350-Y354 VanDerWaalsContact O-N 3.11Å; A352-Y354 PolarHBondContact O-N 3.12Å; Y354-V356 PolarHBondContact O-N 3.36Å; Y354-E357 PolarHBondContact O-N 2.58Å; Y354-K358 HydrophobicContact CE1-CB 4.31Å; Y354-K358 HydrophobicContact CE1-CG 4.45Å; Y354-K358 HydrophobicContact CE2-CB 4.32Å; Y354-K358 WeakPolarHBondContact O-CB 3.29Å; Y354-K358 PolarHBondContact O-N 3.39Å
355C98.8Very high98.5Very high0 Ų039.7 Ų39.70%019%0.188CC..Hα-helixtrans-65.1-40.9-176.7-69.90000112G318 P321 Q351 A352 A353 L359G318-C355 PolarHBondContact O-SG 3.16Å; P321-C355 HydrophobicContact CB-CB 4.13Å; Q351-C355 WeakPolarHBondContact O-CB 3.14Å; Q351-C355 PolarHBondContact O-N 3.45Å; Q351-C355 PolarHBondContact O-SG 3.48Å; A352-C355 PolarHBondContact O-N 3.34Å; A353-C355 PolarHBondContact O-N 3Å; C355-L359 VanDerWaalsContact O-CB 3.32Å; C355-L359 WeakPolarHBondContact O-CB 3.34Å; C355-L359 WeakPolarHBondContact O-CG 3.49Å; C355-L359 PolarHBondContact O-N 3.38Å
356V98.7Very high98.5Very high14 Ų1439.8 Ų39.89%0.08519%0.189CC..Hα-helixtrans-61.5-47.7176.8170.60000110.8F202 I344 A352 A353 Y354 R360 L361 V366F202-V356 HydrophobicContact CE2-CG2 4.42Å; I344-V356 HydrophobicContact CD1-CG2 4.47Å; A352-V356 VanDerWaalsContact O-CG2 3.32Å; A352-V356 WeakPolarHBondContact O-CG2 3.28Å; A352-V356 PolarHBondContact O-N 2.77Å; A353-V356 PolarHBondContact O-N 2.97Å; Y354-V356 PolarHBondContact O-N 3.36Å; V356-R360 PolarHBondContact O-N 3.22Å; V356-L361 HydrophobicContact CG1-CB 4.3Å; V356-L361 PolarHBondContact O-N 3.17Å; V356-V366 HydrophobicContact CG1-CG2 4.43Å; V356-V366 HydrophobicContact CG2-CB 4.43Å; V356-V366 HydrophobicContact CG2-CG1 3.93Å; V356-V366 HydrophobicContact CG2-CG2 4Å
357E98.6Very high98.5Very high93 Ų9339.9 Ų39.944%0.43519%0.189SC..Hα-helixtrans-66.9-46.2179-70.2-174.9170.100112.1K198 A353 Y354 L359 R360K198-E357 VanDerWaalsContact CD-OE1 3.26Å; K198-E357 WeakPolarHBondContact CD-OE1 3.49Å; K198-E357 WeakPolarHBondContact CE-OE1 3.28Å; K198-E357 VanDerWaalsContact NZ-CD 3.25Å; K198-E357 IonicContact NZ-OE1 2.63Å; K198-E357 PolarHBondContact NZ-OE1 3.42Å; K198-E357 IonicContact NZ-OE2 3.1Å; K198-E357 PolarHBondContact NZ-OE2 2.94Å; A353-E357 WeakPolarHBondContact O-CG 3.33Å; A353-E357 PolarHBondContact O-N 3.2Å; Y354-E357 PolarHBondContact O-N 2.58Å; E357-L359 VanDerWaalsContact C-N 3.28Å; E357-L359 PolarHBondContact O-N 3.44Å; E357-R360 PolarHBondContact O-N 2.89Å
358K98.5Very high98.5Very high120 Ų12040.9 Ų40.952%0.52220%0.195SC..Hα-helixtrans-59.7-38.9-179.4179.259.1176.6-179.90112.3A322 Y354A322-K358 HydrophobicContact CB-CB 4.41Å; A322-K358 HydrophobicContact CB-CG 4.02Å; Y354-K358 HydrophobicContact CE1-CB 4.31Å; Y354-K358 HydrophobicContact CE1-CG 4.45Å; Y354-K358 HydrophobicContact CE2-CB 4.32Å; Y354-K358 WeakPolarHBondContact O-CB 3.29Å; Y354-K358 PolarHBondContact O-N 3.39Å
359L98.6Very high98.5Very high23 Ų2340.6 Ų40.612%0.1220%0.195CC..Hα-helixtrans-87.6-6.1178.7-69.3175.1000113.6I325 P326 C355 E357 L361I325-L359 HydrophobicContact CB-CD1 3.95Å; I325-L359 HydrophobicContact CD1-CD1 3.68Å; I325-L359 HydrophobicContact CG1-CD1 4.35Å; I325-L359 HydrophobicContact CG2-CD1 4.16Å; P326-L359 HydrophobicContact CG-CD2 3.63Å; C355-L359 VanDerWaalsContact O-CB 3.32Å; C355-L359 WeakPolarHBondContact O-CB 3.34Å; C355-L359 WeakPolarHBondContact O-CG 3.49Å; C355-L359 PolarHBondContact O-N 3.38Å; E357-L359 VanDerWaalsContact C-N 3.28Å; E357-L359 PolarHBondContact O-N 3.44Å; L359-L361 VanDerWaalsContact C-N 3.27Å; L359-L361 HydrophobicContact CB-CD1 4.31Å; L359-L361 HydrophobicContact CB-CD2 3.67Å; L359-L361 HydrophobicContact CB-CG 3.69Å; L359-L361 HydrophobicContact CD1-CD1 4.24Å; L359-L361 HydrophobicContact CD1-CD2 4.43Å; L359-L361 HydrophobicContact CD1-CG 4.47Å; L359-L361 PolarHBondContact O-N 2.83Å
360R98.6Very high98.5Very high217 Ų21740.6 Ų40.682%0.81920%0.195SC*.THydrogen-bonded Turntrans54.643.7-176.2-62.2170.3-79.7-175-4111.8V356 E357V356-R360 PolarHBondContact O-N 3.22Å; E357-R360 PolarHBondContact O-N 2.89Å
361L98.5Very high98.6Very high7 Ų740.7 Ų40.74%0.03720%0.195CC..  trans-76138.5178.9-52.1-177.2000110V336 F342 I344 V356 L359 P363 V366V336-L361 HydrophobicContact CB-CD2 4.49Å; V336-L361 HydrophobicContact CG1-CD2 3.49Å; V336-L361 VanDerWaalsContact CG1-CD2 3.49Å; V336-L361 HydrophobicContact CG2-CD2 4.16Å; F342-L361 HydrophobicContact CD1-CD1 4.05Å; F342-L361 HydrophobicContact CD1-CD2 4.5Å; F342-L361 HydrophobicContact CD2-CD1 4.44Å; F342-L361 HydrophobicContact CE1-CD1 4.35Å; F342-L361 HydrophobicContact CE1-CD2 3.99Å; F342-L361 HydrophobicContact CE2-CD2 4.18Å; F342-L361 HydrophobicContact CG-CD1 4.11Å; F342-L361 HydrophobicContact CZ-CD2 3.8Å; I344-L361 HydrophobicContact CD1-CD1 3.44Å; I344-L361 VanDerWaalsContact CD1-CD1 3.44Å; V356-L361 HydrophobicContact CG1-CB 4.3Å; V356-L361 PolarHBondContact O-N 3.17Å; L359-L361 VanDerWaalsContact C-N 3.27Å; L359-L361 HydrophobicContact CB-CD1 4.31Å; L359-L361 HydrophobicContact CB-CD2 3.67Å; L359-L361 HydrophobicContact CB-CG 3.69Å; L359-L361 HydrophobicContact CD1-CD1 4.24Å; L359-L361 HydrophobicContact CD1-CD2 4.43Å; L359-L361 HydrophobicContact CD1-CG 4.47Å; L359-L361 PolarHBondContact O-N 2.83Å; L361-P363 WeakPolarHBondContact O-CD 3.2Å; L361-V366 HydrophobicContact CB-CG2 4.01Å; L361-V366 HydrophobicContact CD1-CG2 4.15Å
362P98Very high98.6Very high40 Ų4040.6 Ų40.626%0.2620%0.195SC..  trans-62.2118.6170.9-20.432.6000110.4E364 K365P362-E364 VanDerWaalsContact C-OE2 3.3Å; P362-E364 VanDerWaalsContact CB-CD 3.49Å; P362-E364 WeakPolarHBondContact CB-OE1 3.31Å; P362-E364 WeakPolarHBondContact CB-OE2 3.47Å; P362-E364 PolarHBondContact O-N 3.08Å; P362-E364 VanDerWaalsContact O-N 3.15Å; P362-K365 HydrophobicContact CB-CD 4.25Å; P362-K365 HydrophobicContact CB-CG 4.19Å; P362-K365 HydrophobicContact CG-CD 4.14Å; P362-K365 WeakPolarHBondContact O-CB 3.14Å; P362-K365 PolarHBondContact O-N 3.33Å
363P97.2Very high98.6Very high95 Ų9540.6 Ų40.662%0.61719%0.194SC*.G310 helixtrans-58.5-30.7-171.5-27.235.7000114.6L361 K365 V366L361-P363 WeakPolarHBondContact O-CD 3.2Å; P363-K365 PolarHBondContact O-N 3.02Å; P363-V366 PolarHBondContact O-N 2.71Å
364E98Very high98.6Very high131 Ų13140.4 Ų40.461%0.61219%0.193SC*.G310 helixtrans-67.7-20.3177.774.7-72.9175.500113.6P362P362-E364 VanDerWaalsContact C-OE2 3.3Å; P362-E364 VanDerWaalsContact CB-CD 3.49Å; P362-E364 WeakPolarHBondContact CB-OE1 3.31Å; P362-E364 WeakPolarHBondContact CB-OE2 3.47Å; P362-E364 PolarHBondContact O-N 3.08Å; P362-E364 VanDerWaalsContact O-N 3.15Å
365K98.7Very high98.6Very high47 Ų4739.6 Ų39.620%0.20419%0.19CC..G310 helixtrans-87-11174.7-63.5-171.8172.1-171.60113V339 D340 I341 F342 P362 P363V339-K365 WeakPolarHBondContact O-CD 3.34Å; V339-K365 PolarHBondContact O-NZ 2.82Å; D340-K365 WeakPolarHBondContact O-CB 3.47Å; D340-K365 WeakPolarHBondContact O-CG 3.39Å; I341-K365 WeakPolarHBondContact CA-O 3.42Å; F342-K365 HydrophobicContact CD2-CB 4.13Å; F342-K365 PolarHBondContact N-O 3.47Å; P362-K365 HydrophobicContact CB-CD 4.25Å; P362-K365 HydrophobicContact CB-CG 4.19Å; P362-K365 HydrophobicContact CG-CD 4.14Å; P362-K365 WeakPolarHBondContact O-CB 3.14Å; P362-K365 PolarHBondContact O-N 3.33Å; P363-K365 PolarHBondContact O-N 3.02Å
366V98.9Very high98.6Very high4 Ų439.6 Ų39.62%0.02419%0.19CC..BIsolated β-bridgetrans-96.3121.3-175.3-1760000111K209 F342 I344 V356 L361 P363K209-V366 PolarHBondContact NZ-O 2.89Å; F342-V366 HydrophobicContact CB-CG2 4.27Å; F342-V366 CarbonylContact O-C 3.57Å; F342-V366 WeakPolarHBondContact O-CA 3.39Å; I344-V366 HydrophobicContact CB-CG1 4.45Å; I344-V366 HydrophobicContact CD1-CG1 4.48Å; V356-V366 HydrophobicContact CG1-CG2 4.43Å; V356-V366 HydrophobicContact CG2-CB 4.43Å; V356-V366 HydrophobicContact CG2-CG1 3.93Å; V356-V366 HydrophobicContact CG2-CG2 4Å; L361-V366 HydrophobicContact CB-CG2 4.01Å; L361-V366 HydrophobicContact CD1-CG2 4.15Å; P363-V366 PolarHBondContact O-N 2.71Å
367N98.8Very high98.6Very high1 Ų139.3 Ų39.31%0.00519%0.188CC..SBendtrans43.659.3-179.5-55.1-22000111.5K209 F342 E343 I344 E346 L369 G370K209-N367 WeakPolarHBondContact CD-O 3.49Å; K209-N367 WeakPolarHBondContact CE-O 3.48Å; K209-N367 PolarHBondContact NZ-O 3.45Å; F342-N367 PolarHBondContact O-N 3.43Å; F342-N367 PolarHBondContact O-OD1 3.01Å; E343-N367 VanDerWaalsContact CA-OD1 3.27Å; E343-N367 WeakPolarHBondContact CA-OD1 3.35Å; I344-N367 PolarHBondContact N-OD1 3.17Å; I344-N367 PolarHBondContact O-ND2 2.9Å; I344-N367 PolarHBondContact O-OD1 3.29Å; E346-N367 WeakPolarHBondContact CG-ND2 3.38Å; E346-N367 PolarHBondContact OE1-ND2 2.78Å; N367-L369 PolarHBondContact O-N 2.92Å; N367-G370 PolarHBondContact O-N 2.95Å
368P98.8Very high98.6Very high26 Ų2634.9 Ų34.917%0.16917%0.167CC..THydrogen-bonded Turntrans-60.5-19.7-170.524.6-34.2000113.1I341 E393I341-P368 HydrophobicContact CD1-CG 4.29Å; I341-P368 HydrophobicContact CG2-CG 3.85Å; P368-E393 HydrophobicContact CG-CG 4.26Å
369L98.8Very high98.6Very high10 Ų1029.8 Ų29.85%0.05215%0.145CC..THydrogen-bonded Turntrans-103.312.2178.3-50.7179.6000113.3A210 A213 C218 F219 N367 T389 E393A210-L369 WeakPolarHBondContact CA-O 3.46Å; A210-L369 PolarHBondContact N-O 2.81Å; A213-L369 HydrophobicContact CB-CB 3.84Å; A213-L369 HydrophobicContact CB-CD2 3.9Å; A213-L369 HydrophobicContact CB-CG 4.39Å; C218-L369 HydrophobicContact CB-CD1 4.45Å; C218-L369 HydrophobicContact CB-CD2 4.4Å; F219-L369 HydrophobicContact CE1-CB 3.9Å; F219-L369 HydrophobicContact CE1-CD1 4Å; F219-L369 HydrophobicContact CZ-CB 3.98Å; N367-L369 PolarHBondContact O-N 2.92Å; L369-T389 HydrophobicContact CD1-CG2 3.9Å; L369-E393 HydrophobicContact CD1-CB 4.12Å; L369-E393 HydrophobicContact CD1-CG 4.41Å
370G98.8Very high98.6Very high0 Ų028.7 Ų28.70%014%0.139CC..  trans81.4159.3-170.200000111.8S206 K209 N367S206-G370 WeakPolarHBondContact O-CA 3.5Å; K209-G370 VanDerWaalsContact CB-N 3.34Å; N367-G370 PolarHBondContact O-N 2.95Å
371G98.7Very high98.6Very high1 Ų118.4 Ų18.41%0.0110%0.101CC..  trans-128.1-156.8-175.900000112.7S206 E346 V373 A374 L375S206-G371 PolarHBondContact OG-N 3Å; E346-G371 PolarHBondContact OE1-N 3.11Å; E346-G371 WeakPolarHBondContact OE2-CA 3.48Å; E346-G371 PolarHBondContact OE2-N 2.85Å; G371-V373 VanDerWaalsContact C-N 3.27Å; G371-V373 PolarHBondContact O-N 3.34Å; G371-A374 PolarHBondContact O-N 3.18Å; G371-L375 WeakPolarHBondContact O-CG 3.41Å; G371-L375 PolarHBondContact O-N 3.04Å
372A98.8Very high98.6Very high0 Ų018 Ų180%010%0.099CC..Hα-helixtrans-67.5-17.9-167.300000115.5S276 N345 E346 A374 G376 H377S276-A372 WeakPolarHBondContact CA-O 3.49Å; N345-A372 VanDerWaalsContact OD1-CB 3.26Å; N345-A372 WeakPolarHBondContact OD1-CB 3.24Å; E346-A372 HydrophobicContact CB-CB 4.17Å; E346-A372 PolarHBondContact OE2-N 3.11Å; A372-A374 PolarHBondContact O-N 3.49Å; A372-G376 VanDerWaalsContact O-CA 3.28Å; A372-G376 WeakPolarHBondContact O-CA 3.21Å; A372-G376 PolarHBondContact O-N 3.15Å; A372-H377 HydrophobicContact CB-CB 4.12Å
373V98.8Very high98.6Very high2 Ų216.1 Ų16.11%0.0129%0.087CC..Hα-helixtrans-63.9-35.6169.7171.30000110.4A203 G273 Q277 E346 G371A203-V373 HydrophobicContact CB-CG1 3.78Å; G273-V373 WeakPolarHBondContact O-CG1 3.27Å; Q277-V373 PolarHBondContact NE2-O 3.07Å; E346-V373 HydrophobicContact CB-CG2 3.84Å; E346-V373 PolarHBondContact OE2-N 2.99Å; E346-V373 VanDerWaalsContact OE2-N 3.12Å; G371-V373 VanDerWaalsContact C-N 3.27Å; G371-V373 PolarHBondContact O-N 3.34Å
374A98.8Very high98.7Very high0 Ų011.6 Ų11.60%06%0.057CC..Hα-helixtrans-93-49.2177.800000113.3Q207 A210 G247 I248 Q277 G371 A372Q207-A374 HydrophobicContact CG-CB 4.16Å; A210-A374 HydrophobicContact CB-CB 3.51Å; G247-A374 CarbonylContact C-O 3.54Å; G247-A374 WeakPolarHBondContact CA-O 3.47Å; G247-A374 VanDerWaalsContact O-O 3.13Å; I248-A374 PolarHBondContact N-O 3.35Å; Q277-A374 PolarHBondContact NE2-O 2.98Å; Q277-A374 VanDerWaalsContact NE2-O 3.17Å; G371-A374 PolarHBondContact O-N 3.18Å; A372-A374 PolarHBondContact O-N 3.49Å
375L98.7Very high98.7Very high0 Ų05.4 Ų5.40%03%0.028CC..Hα-helixtrans-78.6-31.9-173.5-59.9174.6000112.8I48 A210 F219 D245 I248 G371I48-L375 WeakPolarHBondContact CB-O 3.21Å; I48-L375 HydrophobicContact CD1-CB 4.4Å; I48-L375 WeakPolarHBondContact CG2-O 3.43Å; A210-L375 HydrophobicContact CB-CD2 4.28Å; F219-L375 HydrophobicContact CE2-CD2 4.11Å; F219-L375 HydrophobicContact CZ-CD2 4.05Å; D245-L375 HydrophobicContact CB-CD2 4.19Å; I248-L375 HydrophobicContact CD1-CD2 3.93Å; I248-L375 HydrophobicContact CG1-CD2 4.18Å; G371-L375 WeakPolarHBondContact O-CG 3.41Å; G371-L375 PolarHBondContact O-N 3.04Å
376G98.7Very high98.8Very high0 Ų03.2 Ų3.20%02%0.019CC..  trans103.6163.3-170.900000113.9S279 A372S279-G376 WeakPolarHBondContact OG-CA 3.37Å; A372-G376 VanDerWaalsContact O-CA 3.28Å; A372-G376 WeakPolarHBondContact O-CA 3.21Å; A372-G376 PolarHBondContact O-N 3.15Å
377H98.7Very high98.8Very high9 Ų93.1 Ų3.14%0.0422%0.018CC..  trans-128.676-178-17331.7000112Q277 N345 A372 L379 T382Q277-H377 PolarHBondContact O-N 3.32Å; N345-H377 PolarHBondContact ND2-CE1 2.85Å; N345-H377 PolarHBondContact ND2-NE2 3.19Å; A372-H377 HydrophobicContact CB-CB 4.12Å; H377-L379 VanDerWaalsContact C-N 3.28Å; H377-L379 PolarHBondContact O-N 3.15Å; H377-T382 PolarHBondContact CE1-OG1 3.34Å; H377-T382 VanDerWaalsContact ND1-CB 3.33Å; H377-T382 WeakPolarHBondContact ND1-CB 3.37Å; H377-T382 WeakPolarHBondContact ND1-CG2 3.34Å; H377-T382 PolarHBondContact ND1-OG1 2.76Å
378P98.6Very high98.8Very high0 Ų03.2 Ų3.20%02%0.018CC..  trans-71.388.1167.529.9-32.4000108.3I48 E151 S279 G380 C381 T382I48-P378 HydrophobicContact CD1-CG 4.22Å; I48-P378 HydrophobicContact CG1-CG 4.37Å; I48-P378 HydrophobicContact CG2-CG 4.14Å; E151-P378 HydrophobicContact CB-CB 3.95Å; S279-P378 WeakPolarHBondContact O-CA 3.49Å; S279-P378 WeakPolarHBondContact O-CB 3.28Å; P378-G380 PolarHBondContact O-N 3.39Å; P378-G380 VanDerWaalsContact O-N 3.17Å; P378-C381 HydrophobicContact CB-CB 4.02Å; P378-C381 HydrophobicContact CG-CB 3.81Å; P378-C381 WeakPolarHBondContact O-CA 3.39Å; P378-C381 WeakPolarHBondContact O-CB 3.42Å; P378-C381 PolarHBondContact O-N 3.05Å; P378-T382 PolarHBondContact O-N 3.04Å; P378-T382 VanDerWaalsContact O-N 3.14Å; P378-T382 PolarHBondContact O-OG1 2.82Å
379L98.3Very high98.8Very high12 Ų122 Ų26%0.0631%0.01CC..Hα-helixtrans-19.8-76.2-171.8-55.2177.5000114.9V91 L92 E151 M153 H377 C381 T382V91-L379 HydrophobicContact CB-CB 4.18Å; V91-L379 HydrophobicContact CB-CD1 4.16Å; V91-L379 HydrophobicContact CG1-CD1 4.16Å; V91-L379 HydrophobicContact CG2-CB 3.81Å; L92-L379 HydrophobicContact CD1-CD1 4.01Å; L92-L379 HydrophobicContact CD2-CD1 4.14Å; L92-L379 HydrophobicContact CG-CD1 3.98Å; E151-L379 HydrophobicContact CG-CB 4.17Å; M153-L379 HydrophobicContact CE-CD1 3.9Å; M153-L379 HydrophobicContact CE-CD2 4.4Å; M153-L379 HydrophobicContact CE-CG 3.95Å; M153-L379 HydrophobicContact SD-CG 4.07Å; H377-L379 VanDerWaalsContact C-N 3.28Å; H377-L379 PolarHBondContact O-N 3.15Å; L379-C381 VanDerWaalsContact C-N 3.29Å; L379-C381 PolarHBondContact O-N 2.92Å; L379-T382 PolarHBondContact O-N 3.41Å
380G98.5Very high98.8Very high0 Ų01.5 Ų1.50%01%0.008CC..Hα-helixtrans-60.4-30.9-17700000115.2G89 G126 G149 E151 P378G89-G380 CarbonylContact O-C 3.54Å; G126-G380 WeakPolarHBondContact CA-O 3.06Å; G126-G380 PolarHBondContact N-O 3.31Å; G149-G380 WeakPolarHBondContact CA-O 3.29Å; E151-G380 PolarHBondContact OE2-N 3.33Å; P378-G380 PolarHBondContact O-N 3.39Å; P378-G380 VanDerWaalsContact O-N 3.17Å
381C98.9Very high98.8Very high1 Ų11.5 Ų1.51%0.0071%0.008CC..Hα-helixtrans-73.7-33.3178.4164.50000113.5G149 G281 P378 L379 G383 A384 R385G149-C381 VanDerWaalsContact C-CA 3.46Å; G149-C381 WeakPolarHBondContact O-CB 3.49Å; G281-C381 VanDerWaalsContact O-CB 3.29Å; G281-C381 WeakPolarHBondContact O-CB 3.46Å; P378-C381 HydrophobicContact CB-CB 4.02Å; P378-C381 HydrophobicContact CG-CB 3.81Å; P378-C381 WeakPolarHBondContact O-CA 3.39Å; P378-C381 WeakPolarHBondContact O-CB 3.42Å; P378-C381 PolarHBondContact O-N 3.05Å; L379-C381 VanDerWaalsContact C-N 3.29Å; L379-C381 PolarHBondContact O-N 2.92Å; C381-G383 PolarHBondContact O-N 3.25Å; C381-A384 PolarHBondContact O-N 2.89Å; C381-A384 VanDerWaalsContact O-N 3.08Å; C381-R385 PolarHBondContact O-N 3.42Å
382T98.9Very high98.8Very high0 Ų02.1 Ų2.10%01%0.011CC..Hα-helixtrans-59-40.8-163.3-66.80000114.3N345 H377 P378 L379 A384 R385 Q386N345-T382 HydrophobicContact CB-CG2 4.5Å; H377-T382 PolarHBondContact CE1-OG1 3.34Å; H377-T382 VanDerWaalsContact ND1-CB 3.33Å; H377-T382 WeakPolarHBondContact ND1-CB 3.37Å; H377-T382 WeakPolarHBondContact ND1-CG2 3.34Å; H377-T382 PolarHBondContact ND1-OG1 2.76Å; P378-T382 PolarHBondContact O-N 3.04Å; P378-T382 VanDerWaalsContact O-N 3.14Å; P378-T382 PolarHBondContact O-OG1 2.82Å; L379-T382 PolarHBondContact O-N 3.41Å; T382-A384 PolarHBondContact O-N 2.98Å; T382-R385 WeakPolarHBondContact O-CB 3.06Å; T382-R385 PolarHBondContact O-N 3.25Å; T382-Q386 HydrophobicContact CG2-CG 4.25Å; T382-Q386 WeakPolarHBondContact O-CG 3.45Å; T382-Q386 PolarHBondContact O-N 3.11Å
383G98.9Very high98.8Very high0 Ų03.2 Ų3.20%02%0.016CC..Hα-helixtrans-62.3-41.9178.900000113.4C381 V387C381-G383 PolarHBondContact O-N 3.25Å; G383-V387 WeakPolarHBondContact O-CG2 3.32Å; G383-V387 PolarHBondContact O-N 3.42Å
384A98.9Very high98.8Very high0 Ų03.1 Ų3.10%02%0.016CC..Hα-helixtrans-70.9-41.9175.300000111.1A283 I285 C381 T382 Q386 V387 I388A283-A384 HydrophobicContact CB-CB 3.8Å; I285-A384 HydrophobicContact CD1-CB 3.87Å; I285-A384 WeakPolarHBondContact CD1-O 3.32Å; C381-A384 PolarHBondContact O-N 2.89Å; C381-A384 VanDerWaalsContact O-N 3.08Å; T382-A384 PolarHBondContact O-N 2.98Å; A384-Q386 VanDerWaalsContact C-N 3.32Å; A384-Q386 PolarHBondContact O-N 3.36Å; A384-V387 PolarHBondContact O-N 2.93Å; A384-I388 WeakPolarHBondContact O-CG1 3.41Å; A384-I388 PolarHBondContact O-N 3.29Å
385R98.9Very high98.7Very high1 Ų18.4 Ų8.40%0.0044%0.039CC..Hα-helixtrans-53.3-48174.9-170.8-82.4-62157.4-0.1112.3I48 A283 E343 C381 T382 V387 I388 T389I48-R385 HydrophobicContact CD1-CG 4.18Å; A283-R385 HydrophobicContact CB-CB 4.31Å; E343-R385 IonicContact OE2-NH1 2.98Å; E343-R385 PolarHBondContact OE2-NH1 2.95Å; C381-R385 PolarHBondContact O-N 3.42Å; T382-R385 WeakPolarHBondContact O-CB 3.06Å; T382-R385 PolarHBondContact O-N 3.25Å; R385-V387 VanDerWaalsContact C-N 3.34Å; R385-V387 PolarHBondContact O-N 2.91Å; R385-I388 PolarHBondContact O-N 2.89Å; R385-T389 WeakPolarHBondContact CD-OG1 3.37Å; R385-T389 PolarHBondContact O-N 3.01Å; R385-T389 PolarHBondContact O-OG1 3.45Å
386Q98.9Very high98.7Very high1 Ų113 Ų131%0.0056%0.056CC..Hα-helixtrans-63.2-36.8-179-74.2-180-74.700112.8E343 T382 A384 I388 T389 L390 V405 M407E343-Q386 HydrophobicContact CB-CB 4.14Å; E343-Q386 HydrophobicContact CB-CG 4.37Å; E343-Q386 PolarHBondContact O-NE2 2.96Å; T382-Q386 HydrophobicContact CG2-CG 4.25Å; T382-Q386 WeakPolarHBondContact O-CG 3.45Å; T382-Q386 PolarHBondContact O-N 3.11Å; A384-Q386 VanDerWaalsContact C-N 3.32Å; A384-Q386 PolarHBondContact O-N 3.36Å; Q386-I388 VanDerWaalsContact C-N 3.32Å; Q386-I388 PolarHBondContact O-N 3.32Å; Q386-T389 PolarHBondContact O-N 3.39Å; Q386-L390 WeakPolarHBondContact O-CB 3.48Å; Q386-L390 PolarHBondContact O-N 3.33Å; Q386-V405 HydrophobicContact CB-CG1 3.55Å; Q386-V405 HydrophobicContact CB-CG2 4.19Å; Q386-V405 HydrophobicContact CG-CG1 4.44Å; Q386-M407 VanDerWaalsContact OE1-CE 3.24Å
387V98.9Very high98.6Very high1 Ų117.9 Ų17.91%0.0067%0.074CC..Hα-helixtrans-61-44.9175175.90000110.4L127 I285 G383 A384 R385 L390 L391 V405 F419L127-V387 HydrophobicContact CD1-CG2 3.72Å; I285-V387 HydrophobicContact CD1-CB 3.65Å; I285-V387 HydrophobicContact CD1-CG1 3.81Å; I285-V387 HydrophobicContact CD1-CG2 4.18Å; G383-V387 WeakPolarHBondContact O-CG2 3.32Å; G383-V387 PolarHBondContact O-N 3.42Å; A384-V387 PolarHBondContact O-N 2.93Å; R385-V387 VanDerWaalsContact C-N 3.34Å; R385-V387 PolarHBondContact O-N 2.91Å; V387-L390 PolarHBondContact O-N 3.3Å; V387-L391 HydrophobicContact CG1-CD1 3.85Å; V387-L391 HydrophobicContact CG1-CG 4.36Å; V387-L391 WeakPolarHBondContact O-CB 3.42Å; V387-L391 WeakPolarHBondContact O-CG 3.36Å; V387-L391 PolarHBondContact O-N 3.39Å; V387-V405 HydrophobicContact CG2-CG2 3.95Å; V387-F419 HydrophobicContact CB-CZ 4.32Å; V387-F419 HydrophobicContact CG1-CD1 4.49Å; V387-F419 HydrophobicContact CG1-CE1 3.9Å; V387-F419 HydrophobicContact CG1-CE2 4.22Å; V387-F419 HydrophobicContact CG1-CZ 3.75Å; V387-F419 HydrophobicContact CG2-CE2 3.7Å; V387-F419 HydrophobicContact CG2-CZ 3.57Å
388I98.9Very high98.5Very high3 Ų318.7 Ų18.72%0.0159%0.085CC..Hα-helixtrans-64.4-48.6-179.7-60.2166.5000110.5R44 R45 E222 A283 I285 A384 R385 Q386 L390 L391 N392R44-I388 VanDerWaalsContact O-CD1 3.27Å; R44-I388 WeakPolarHBondContact O-CD1 3.41Å; R45-I388 HydrophobicContact CB-CD1 4.24Å; E222-I388 HydrophobicContact CB-CG2 3.48Å; E222-I388 VanDerWaalsContact CB-CG2 3.48Å; A283-I388 HydrophobicContact CB-CD1 3.88Å; I285-I388 HydrophobicContact CD1-CG1 4.29Å; I285-I388 HydrophobicContact CG1-CD1 4.03Å; I285-I388 HydrophobicContact CG1-CG1 3.79Å; A384-I388 WeakPolarHBondContact O-CG1 3.41Å; A384-I388 PolarHBondContact O-N 3.29Å; R385-I388 PolarHBondContact O-N 2.89Å; Q386-I388 VanDerWaalsContact C-N 3.32Å; Q386-I388 PolarHBondContact O-N 3.32Å; I388-L390 PolarHBondContact O-N 3.11Å; I388-L391 PolarHBondContact O-N 3.08Å; I388-N392 WeakPolarHBondContact CG2-ND2 3.1Å; I388-N392 WeakPolarHBondContact O-CB 3.18Å; I388-N392 PolarHBondContact O-N 3.05Å; I388-N392 PolarHBondContact O-ND2 2.65Å
389T98.9Very high98.4Very high0 Ų026.4 Ų26.40%012%0.119CC..Hα-helixtrans-61.1-44178.7-57.10000111.5F219 E222 L369 R385 Q386 E393F219-T389 HydrophobicContact CE1-CG2 4.44Å; E222-T389 PolarHBondContact OE1-OG1 2.84Å; E222-T389 WeakPolarHBondContact OE2-CA 3.25Å; L369-T389 HydrophobicContact CD1-CG2 3.9Å; R385-T389 WeakPolarHBondContact CD-OG1 3.37Å; R385-T389 PolarHBondContact O-N 3.01Å; R385-T389 PolarHBondContact O-OG1 3.45Å; Q386-T389 PolarHBondContact O-N 3.39Å; T389-E393 WeakPolarHBondContact O-CB 3.45Å; T389-E393 PolarHBondContact O-N 2.91Å; T389-E393 VanDerWaalsContact O-N 3.11Å
390L98.9Very high98.3Very high0 Ų030.1 Ų30.10%013%0.132CC..Hα-helixtrans-58.4-55.5176.6174.764.8000111.4I341 E343 Q386 V387 I388 N392 E393 L394 V405 F419I341-L390 HydrophobicContact CB-CD1 3.62Å; I341-L390 HydrophobicContact CG2-CD1 3.49Å; I341-L390 VanDerWaalsContact CG2-CD1 3.49Å; E343-L390 HydrophobicContact CG-CB 3.95Å; E343-L390 HydrophobicContact CG-CD1 4.41Å; Q386-L390 WeakPolarHBondContact O-CB 3.48Å; Q386-L390 PolarHBondContact O-N 3.33Å; V387-L390 PolarHBondContact O-N 3.3Å; I388-L390 PolarHBondContact O-N 3.11Å; L390-N392 PolarHBondContact O-N 2.78Å; L390-E393 PolarHBondContact O-N 3.01Å; L390-L394 HydrophobicContact CD1-CD1 4.12Å; L390-L394 HydrophobicContact CD1-CG 4.25Å; L390-L394 HydrophobicContact CG-CD1 4.15Å; L390-L394 WeakPolarHBondContact O-CG 3.39Å; L390-L394 PolarHBondContact O-N 3.34Å; L390-V405 HydrophobicContact CB-CG2 4.33Å; L390-V405 HydrophobicContact CD2-CG2 3.62Å; L390-F419 HydrophobicContact CD2-CB 4.38Å; L390-F419 HydrophobicContact CD2-CD2 4.04Å
391L98.8Very high98.3Very high1 Ų130.4 Ų30.41%0.00513%0.134CC..Hα-helixtrans-68.9-35.2-173.4-68.6178.5000112.3V40 L301 V387 I388 E393 L394 K395 F419V40-L391 HydrophobicContact CB-CD1 3.83Å; V40-L391 HydrophobicContact CG1-CD1 3.67Å; V40-L391 HydrophobicContact CG2-CD1 4.02Å; L301-L391 HydrophobicContact CD1-CB 4.2Å; L301-L391 HydrophobicContact CD2-CB 4.04Å; L301-L391 HydrophobicContact CD2-CD1 4.29Å; L301-L391 HydrophobicContact CG-CB 3.83Å; L301-L391 HydrophobicContact CG-CD1 4.13Å; V387-L391 HydrophobicContact CG1-CD1 3.85Å; V387-L391 HydrophobicContact CG1-CG 4.36Å; V387-L391 WeakPolarHBondContact O-CB 3.42Å; V387-L391 WeakPolarHBondContact O-CG 3.36Å; V387-L391 PolarHBondContact O-N 3.39Å; I388-L391 PolarHBondContact O-N 3.08Å; L391-E393 VanDerWaalsContact C-N 3.32Å; L391-E393 PolarHBondContact O-N 3.07Å; L391-L394 PolarHBondContact O-N 3Å; L391-K395 VanDerWaalsContact O-CB 3.24Å; L391-K395 WeakPolarHBondContact O-CB 3.39Å; L391-K395 PolarHBondContact O-N 3.02Å; L391-F419 HydrophobicContact CD2-CB 3.97Å; L391-F419 HydrophobicContact CD2-CG 4.48Å
392N98.7Very high98.3Very high13 Ų1331.4 Ų31.47%0.0714%0.138CC..Hα-helixtrans-65.8-35.9173.6-84.3-83.2000112.1I388 L390 R396I388-N392 WeakPolarHBondContact CG2-ND2 3.1Å; I388-N392 WeakPolarHBondContact O-CB 3.18Å; I388-N392 PolarHBondContact O-N 3.05Å; I388-N392 PolarHBondContact O-ND2 2.65Å; L390-N392 PolarHBondContact O-N 2.78Å; N392-R396 WeakPolarHBondContact O-CG 3.28Å; N392-R396 PolarHBondContact O-N 3.5Å
393E98.7Very high98.3Very high24 Ų2431.4 Ų31.411%0.11214%0.138CC..Hα-helixtrans-70.1-43.9174.6179.957-16700112.6I341 P368 L369 T389 L390 L391 K395 R396 R397I341-E393 HydrophobicContact CD1-CB 4Å; I341-E393 HydrophobicContact CD1-CG 3.31Å; P368-E393 HydrophobicContact CG-CG 4.26Å; L369-E393 HydrophobicContact CD1-CB 4.12Å; L369-E393 HydrophobicContact CD1-CG 4.41Å; T389-E393 WeakPolarHBondContact O-CB 3.45Å; T389-E393 PolarHBondContact O-N 2.91Å; T389-E393 VanDerWaalsContact O-N 3.11Å; L390-E393 PolarHBondContact O-N 3.01Å; L391-E393 VanDerWaalsContact C-N 3.32Å; L391-E393 PolarHBondContact O-N 3.07Å; E393-K395 VanDerWaalsContact C-N 3.3Å; E393-K395 PolarHBondContact O-N 3.43Å; E393-R396 PolarHBondContact O-N 3.42Å; E393-R396 IonicContact OE2-CZ 3.13Å; E393-R396 VanDerWaalsContact OE2-CZ 3.25Å; E393-R396 IonicContact OE2-NE 3.45Å; E393-R396 PolarHBondContact OE2-NE 2.99Å; E393-R396 IonicContact OE2-NH2 2.74Å; E393-R396 PolarHBondContact OE2-NH2 3.32Å; E393-R397 WeakPolarHBondContact O-CG 3.43Å; E393-R397 PolarHBondContact O-N 3.02Å; E393-R397 IonicContact OE1-CZ 3.39Å; E393-R397 IonicContact OE1-NE 3.01Å; E393-R397 PolarHBondContact OE1-NE 3.23Å; E393-R397 IonicContact OE1-NH2 2.68Å; E393-R397 PolarHBondContact OE1-NH2 3.06Å; E393-R397 VanDerWaalsContact OE1-NH2 3.16Å
394L98.5Very high98.3Very high0 Ų031.5 Ų31.50%014%0.139CC..Hα-helixtrans-60.8-41.9174.1-66.6178.3000111.2D340 I341 L390 L391 R396 R397 G398 A401 Y421D340-L394 HydrophobicContact CB-CD2 4.18Å; I341-L394 HydrophobicContact CB-CD2 4.26Å; I341-L394 HydrophobicContact CD1-CD2 3.47Å; I341-L394 VanDerWaalsContact CD1-CD2 3.47Å; I341-L394 HydrophobicContact CD1-CG 4.05Å; I341-L394 HydrophobicContact CG1-CD2 3.76Å; L390-L394 HydrophobicContact CD1-CD1 4.12Å; L390-L394 HydrophobicContact CD1-CG 4.25Å; L390-L394 HydrophobicContact CG-CD1 4.15Å; L390-L394 WeakPolarHBondContact O-CG 3.39Å; L390-L394 PolarHBondContact O-N 3.34Å; L391-L394 PolarHBondContact O-N 3Å; L394-R396 PolarHBondContact O-N 2.92Å; L394-R397 PolarHBondContact O-N 3.01Å; L394-R397 VanDerWaalsContact O-N 3.13Å; L394-G398 PolarHBondContact O-N 3.36Å; L394-G398 VanDerWaalsContact O-N 3.08Å; L394-A401 HydrophobicContact CD2-CB 3.81Å; L394-Y421 HydrophobicContact CB-CD1 4.34Å; L394-Y421 HydrophobicContact CB-CG 4.03Å
395K98.3Very high98.3Very high111 Ų11131.5 Ų31.548%0.48314%0.139SC..Hα-helixtrans-58.4-45.3173.5-178.6175.5179.3177.50112.3L301 L391 E393 R397 G398 Y421L301-K395 HydrophobicContact CD1-CB 4.18Å; L301-K395 HydrophobicContact CD1-CD 3.7Å; L391-K395 VanDerWaalsContact O-CB 3.24Å; L391-K395 WeakPolarHBondContact O-CB 3.39Å; L391-K395 PolarHBondContact O-N 3.02Å; E393-K395 VanDerWaalsContact C-N 3.3Å; E393-K395 PolarHBondContact O-N 3.43Å; K395-R397 VanDerWaalsContact C-N 3.27Å; K395-R397 PolarHBondContact O-N 2.88Å; K395-G398 WeakPolarHBondContact O-CA 3.28Å; K395-G398 PolarHBondContact O-N 3.3Å; K395-Y421 HydrophobicContact CB-CD2 4.35Å; K395-Y421 HydrophobicContact CB-CE2 3.81Å; K395-Y421 HydrophobicContact CG-CE2 4.05Å
396R97.8Very high98.3Very high97 Ų9731.4 Ų31.437%0.36614%0.138SC..Hα-helixtrans-61.7-33.6175.4-79.3-172-62.8-90.42.9113.2C218 N392 E393 L394 G398C218-R396 PolarHBondContact O-NH1 3.14Å; N392-R396 WeakPolarHBondContact O-CG 3.28Å; N392-R396 PolarHBondContact O-N 3.5Å; E393-R396 PolarHBondContact O-N 3.42Å; E393-R396 IonicContact OE2-CZ 3.13Å; E393-R396 VanDerWaalsContact OE2-CZ 3.25Å; E393-R396 IonicContact OE2-NE 3.45Å; E393-R396 PolarHBondContact OE2-NE 2.99Å; E393-R396 IonicContact OE2-NH2 2.74Å; E393-R396 PolarHBondContact OE2-NH2 3.32Å; L394-R396 PolarHBondContact O-N 2.92Å; R396-G398 VanDerWaalsContact C-N 3.28Å
397R97.3Very high98.3Very high101 Ų10131.4 Ų31.438%0.38114%0.138SC..Hα-helixtrans-73.5-21175.2-66.9179.5-173.5-163.73.8112.8I341 E393 L394 K395 K399I341-R397 VanDerWaalsContact CD1-CZ 3.43Å; E393-R397 WeakPolarHBondContact O-CG 3.43Å; E393-R397 PolarHBondContact O-N 3.02Å; E393-R397 IonicContact OE1-CZ 3.39Å; E393-R397 IonicContact OE1-NE 3.01Å; E393-R397 PolarHBondContact OE1-NE 3.23Å; E393-R397 IonicContact OE1-NH2 2.68Å; E393-R397 PolarHBondContact OE1-NH2 3.06Å; E393-R397 VanDerWaalsContact OE1-NH2 3.16Å; L394-R397 PolarHBondContact O-N 3.01Å; L394-R397 VanDerWaalsContact O-N 3.13Å; K395-R397 VanDerWaalsContact C-N 3.27Å; K395-R397 PolarHBondContact O-N 2.88Å; R397-K399 VanDerWaalsContact C-N 3.26Å; R397-K399 PolarHBondContact O-N 2.68Å
398G96.6Very high98.3Very high26 Ų2631.3 Ų31.327%0.26814%0.138SC..THydrogen-bonded Turntrans71.610.6163.600000115.9L394 K395 R396L394-G398 PolarHBondContact O-N 3.36Å; L394-G398 VanDerWaalsContact O-N 3.08Å; K395-G398 WeakPolarHBondContact O-CA 3.28Å; K395-G398 PolarHBondContact O-N 3.3Å; R396-G398 VanDerWaalsContact C-N 3.28Å
399K95.7Very high98.3Very high162 Ų16231.2 Ų31.270%0.70414%0.137SC*.SBendtrans-121.5147.3179.1-63.5-175.5-178.2-1780110.2R397 A401 Y421R397-K399 VanDerWaalsContact C-N 3.26Å; R397-K399 PolarHBondContact O-N 2.68Å; K399-A401 WeakPolarHBondContact O-CB 3.32Å; K399-A401 PolarHBondContact O-N 2.73Å; K399-Y421 VanDerWaalsContact O-CD1 3.28Å; K399-Y421 WeakPolarHBondContact O-CD1 3.37Å
400R97.1Very high98.1Very high90 Ų9031.4 Ų31.434%0.3414%0.139SC..  trans-51.8125.7170.9-173.4-178.6179-105.5-2.6109.6G29 Y402 E420 Y421 P422G29-R400 PolarHBondContact O-NH1 2.66Å; G29-R400 PolarHBondContact O-NH2 3.4Å; R400-Y402 PolarHBondContact NH2-OH 3.48Å; R400-E420 IonicContact CZ-OE1 3.47Å; R400-E420 IonicContact NE-OE1 2.8Å; R400-E420 PolarHBondContact NE-OE1 3.48Å; R400-E420 IonicContact NH2-OE1 3.83Å; R400-E420 PolarHBondContact NH2-OE1 3.34Å; R400-E420 IonicContact NH2-OE2 2.79Å; R400-E420 PolarHBondContact NH2-OE2 3.48Å; R400-Y421 VanDerWaalsContact CA-O 3.28Å; R400-Y421 WeakPolarHBondContact CA-O 3.41Å; R400-Y421 WeakPolarHBondContact CG-O 3.27Å; R400-P422 WeakPolarHBondContact CB-O 3.43Å
401A98Very high98.1Very high7 Ų734.1 Ų34.16%0.05816%0.156CC..EExtended strand (participates in β ladder)trans-157153.4-169.900000111.2D340 L394 K399 E420 Y421D340-A401 HydrophobicContact CB-CB 4.03Å; D340-A401 WeakPolarHBondContact OD2-CA 3.32Å; D340-A401 VanDerWaalsContact OD2-CB 3.31Å; D340-A401 WeakPolarHBondContact OD2-CB 3.16Å; L394-A401 HydrophobicContact CD2-CB 3.81Å; K399-A401 WeakPolarHBondContact O-CB 3.32Å; K399-A401 PolarHBondContact O-N 2.73Å; A401-E420 WeakPolarHBondContact O-CA 3.18Å; A401-Y421 PolarHBondContact N-O 3.19Å; A401-Y421 VanDerWaalsContact N-O 3.15Å; A401-Y421 PolarHBondContact O-N 3.04Å
402Y98.6Very high98Very high22 Ų2234.2 Ų34.29%0.08616%0.157CC..EExtended strand (participates in β ladder)trans-103.6142.8173-64.3-76.3000111.1G29 L334 D340 R400 V418 F419 E420G29-Y402 WeakPolarHBondContact CA-OH 3.42Å; G29-Y402 PolarHBondContact O-OH 3.03Å; L334-Y402 HydrophobicContact CD1-CD1 3.63Å; L334-Y402 HydrophobicContact CD1-CD2 3.92Å; L334-Y402 HydrophobicContact CD1-CE1 3.96Å; L334-Y402 HydrophobicContact CD1-CE2 4.22Å; L334-Y402 HydrophobicContact CD1-CG 3.6Å; L334-Y402 HydrophobicContact CD2-CD2 4.11Å; L334-Y402 HydrophobicContact CD2-CE2 3.78Å; D340-Y402 PolarHBondContact N-O 3.08Å; D340-Y402 PolarHBondContact OD2-N 2.99Å; R400-Y402 PolarHBondContact NH2-OH 3.48Å; Y402-V418 HydrophobicContact CD1-CG1 4.3Å; Y402-F419 CarbonylContact C-O 3.59Å; Y402-F419 WeakPolarHBondContact CA-O 3.41Å; Y402-E420 HydrophobicContact CD1-CB 3.86Å; Y402-E420 HydrophobicContact CD1-CG 4.16Å; Y402-E420 HydrophobicContact CE1-CB 3.78Å; Y402-E420 HydrophobicContact CE1-CG 3.84Å
403G98.8Very high98Very high0 Ų035.5 Ų35.50%016%0.163CC..EExtended strand (participates in β ladder)trans-131.7148.6177.300000111.9I341 V418 F419I341-G403 CarbonylContact O-C 2.89Å; I341-G403 VanDerWaalsContact O-CA 3.28Å; I341-G403 WeakPolarHBondContact O-CA 3.5Å; G403-V418 WeakPolarHBondContact O-CA 3.27Å; G403-F419 PolarHBondContact N-O 2.91Å; G403-F419 PolarHBondContact O-N 3.46Å
404V98.9Very high98Very high1 Ų134.3 Ų34.31%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-118.4128.5176.4172.90000110I325 L329 V339 I341 F342 E343 A417 V418I325-V404 HydrophobicContact CD1-CG1 4.36Å; I325-V404 HydrophobicContact CG1-CG1 4Å; I325-V404 HydrophobicContact CG2-CG1 4.43Å; L329-V404 HydrophobicContact CD2-CG2 3.94Å; V339-V404 HydrophobicContact CG1-CB 4.39Å; V339-V404 HydrophobicContact CG1-CG2 3.88Å; V339-V404 HydrophobicContact CG2-CG2 3.96Å; I341-V404 PolarHBondContact O-N 2.74Å; F342-V404 CarbonylContact C-O 3.57Å; F342-V404 WeakPolarHBondContact CA-O 3.47Å; F342-V404 HydrophobicContact CD1-CB 3.66Å; F342-V404 HydrophobicContact CD1-CG1 4.07Å; F342-V404 HydrophobicContact CD1-CG2 4.07Å; F342-V404 HydrophobicContact CE1-CB 4.07Å; F342-V404 HydrophobicContact CE1-CG2 3.94Å; F342-V404 HydrophobicContact CG-CB 4.49Å; E343-V404 PolarHBondContact N-O 3.23Å; V404-A417 VanDerWaalsContact CA-O 3.31Å; V404-A417 WeakPolarHBondContact CA-O 3.09Å; V404-V418 HydrophobicContact CG2-CG2 4.19Å
405V99Very high98.1Very high0 Ų034.3 Ų34.30%016%0.158CC..EExtended strand (participates in β ladder)trans-100.2132.4162.5178.20000108.1L127 E343 Q386 V387 L390 M407 A416 A417 F419L127-V405 HydrophobicContact CD1-CB 4.43Å; L127-V405 HydrophobicContact CD1-CG1 4.24Å; L127-V405 HydrophobicContact CD2-CB 4.45Å; L127-V405 HydrophobicContact CD2-CG1 4.03Å; E343-V405 HydrophobicContact CB-CG2 4.36Å; E343-V405 CarbonylContact O-C 3.56Å; E343-V405 WeakPolarHBondContact O-CA 3.35Å; Q386-V405 HydrophobicContact CB-CG1 3.55Å; Q386-V405 HydrophobicContact CB-CG2 4.19Å; Q386-V405 HydrophobicContact CG-CG1 4.44Å; V387-V405 HydrophobicContact CG2-CG2 3.95Å; L390-V405 HydrophobicContact CB-CG2 4.33Å; L390-V405 HydrophobicContact CD2-CG2 3.62Å; V405-M407 HydrophobicContact CG1-CE 3.95Å; V405-A416 CarbonylContact O-C 3.56Å; V405-A416 WeakPolarHBondContact O-CA 3.36Å; V405-A417 PolarHBondContact N-O 3.04Å; V405-A417 PolarHBondContact O-N 3.43Å; V405-F419 HydrophobicContact CB-CE2 4.41Å; V405-F419 HydrophobicContact CG2-CD2 4.26Å; V405-F419 HydrophobicContact CG2-CE2 4.02Å
406S98.9Very high98.1Very high0 Ų029 Ų290%014%0.135CC..EExtended strand (participates in β ladder)trans-150.7150.8178.1-173.90000113.1P321 I325 E343 I344 N345 A415P321-S406 WeakPolarHBondContact CB-OG 3.5Å; I325-S406 WeakPolarHBondContact CG1-OG 3.26Å; E343-S406 PolarHBondContact O-N 3.21Å; I344-S406 CarbonylContact C-O 3.55Å; I344-S406 WeakPolarHBondContact CA-O 3.44Å; N345-S406 PolarHBondContact N-O 3.43Å; S406-A415 VanDerWaalsContact CA-O 3.24Å; S406-A415 WeakPolarHBondContact CA-O 3.21Å; S406-A415 PolarHBondContact OG-O 2.74Å
407M98.9Very high98.1Very high0 Ų024.4 Ų24.40%012%0.118CC..EExtended strand (participates in β ladder)trans-150.4152175.564.7-74.8-60.900112.6S124 L127 N345 Q386 V405 I409 G414 A415S124-M407 VanDerWaalsContact CB-SD 3.52Å; L127-M407 HydrophobicContact CB-CE 4.01Å; L127-M407 HydrophobicContact CB-SD 4.31Å; L127-M407 HydrophobicContact CD2-CE 3.87Å; L127-M407 HydrophobicContact CD2-SD 3.75Å; N345-M407 HydrophobicContact CB-CB 3.55Å; Q386-M407 VanDerWaalsContact OE1-CE 3.24Å; V405-M407 HydrophobicContact CG1-CE 3.95Å; M407-I409 HydrophobicContact CG-CG1 4.31Å; M407-G414 WeakPolarHBondContact O-CA 3.38Å; M407-A415 PolarHBondContact N-O 2.76Å; M407-A415 PolarHBondContact O-N 3.2Å; M407-A415 VanDerWaalsContact O-N 3.12Å; M407-A415 HydrophobicContact SD-CB 3.99Å
408C98.5Very high98.2Very high0 Ų019.6 Ų19.60%010%0.099CC..EExtended strand (participates in β ladder)trans-73.5159159.360.90000109.7C123 M317 P321C123-C408 WeakPolarHBondContact CB-O 3.35Å; M317-C408 WeakPolarHBondContact O-CB 3.42Å; M317-C408 HydrophobicContact SD-CB 3.9Å; P321-C408 HydrophobicContact CG-CB 4.43Å
409I98.6Very high98.3Very high0 Ų018.4 Ų18.40%09%0.087CC..EExtended strand (participates in β ladder)trans-137.7125-172.8-56.3174.9000106.9R121 Q122 S124 M317 M407 G412 M413 A415R121-I409 HydrophobicContact CG-CD1 4.34Å; R121-I409 HydrophobicContact CG-CG2 4.35Å; R121-I409 WeakPolarHBondContact O-CG2 3.26Å; Q122-I409 HydrophobicContact CB-CG2 3.69Å; Q122-I409 HydrophobicContact CG-CG2 4.23Å; S124-I409 VanDerWaalsContact OG-CD1 3.23Å; S124-I409 WeakPolarHBondContact OG-CD1 3.45Å; M317-I409 WeakPolarHBondContact CB-O 3.38Å; M407-I409 HydrophobicContact CG-CG1 4.31Å; I409-G412 PolarHBondContact O-N 3.36Å; I409-M413 HydrophobicContact CB-CB 3.75Å; I409-M413 WeakPolarHBondContact CB-O 3.12Å; I409-M413 HydrophobicContact CD1-CB 3.83Å; I409-M413 HydrophobicContact CG1-CB 4.29Å; I409-M413 HydrophobicContact CG2-CB 4.03Å; I409-M413 HydrophobicContact CG2-CE 3.87Å; I409-M413 PolarHBondContact N-O 2.86Å; I409-M413 PolarHBondContact O-N 2.92Å; I409-M413 VanDerWaalsContact O-N 3.15Å; I409-A415 HydrophobicContact CD1-CB 3.74Å
410G96.2Very high98.5Very high4 Ų411.2 Ų11.24%0.0416%0.055CC..THydrogen-bonded Turntrans-47.9152.7172.300000111.6G412G410-G412 PolarHBondContact O-N 3.1Å
411T97.1Very high98.5Very high57 Ų577.2 Ų7.235%0.354%0.041SC..THydrogen-bonded Turntrans65.613.7-171.985.50000115.7C177C177-T411 HydrophobicContact CB-CG2 4.22Å
412G98.4Very high98.3Very high4 Ų49.4 Ų9.44%0.0415%0.054CC..THydrogen-bonded Turntrans9158.5166.700000114.8V312 I409 G410V312-G412 PolarHBondContact N-O 3.43Å; V312-G412 CarbonylContact O-C 3.59Å; V312-G412 VanDerWaalsContact O-CA 3.3Å; V312-G412 WeakPolarHBondContact O-CA 3.49Å; I409-G412 PolarHBondContact O-N 3.36Å; G410-G412 PolarHBondContact O-N 3.1Å
413M98.9Very high97.7Very high39 Ų399.2 Ų9.219%0.1926%0.059CC..EExtended strand (participates in β ladder)trans-139.1168.9170.4-68.7169.6-82.900111.7R121 V310 I409R121-M413 HydrophobicContact CG-CE 4.43Å; R121-M413 HydrophobicContact CG-SD 4.39Å; V310-M413 CarbonylContact O-C 3.39Å; V310-M413 WeakPolarHBondContact O-CA 3.26Å; V310-M413 VanDerWaalsContact O-CB 3.28Å; V310-M413 WeakPolarHBondContact O-CB 3.43Å; I409-M413 HydrophobicContact CB-CB 3.75Å; I409-M413 WeakPolarHBondContact CB-O 3.12Å; I409-M413 HydrophobicContact CD1-CB 3.83Å; I409-M413 HydrophobicContact CG1-CB 4.29Å; I409-M413 HydrophobicContact CG2-CB 4.03Å; I409-M413 HydrophobicContact CG2-CE 3.87Å; I409-M413 PolarHBondContact N-O 2.86Å; I409-M413 PolarHBondContact O-N 2.92Å; I409-M413 VanDerWaalsContact O-N 3.15Å
414G98.9Very high96.3Very high0 Ų018.5 Ų18.50%011%0.109CC..EExtended strand (participates in β ladder)trans-134147.4163.900000110.5V309 V310 M407V309-G414 CarbonylContact C-O 3.49Å; V309-G414 WeakPolarHBondContact CA-O 3.16Å; V310-G414 PolarHBondContact N-O 3.37Å; V310-G414 PolarHBondContact O-N 3.43Å; M407-G414 WeakPolarHBondContact O-CA 3.38Å
415A98.9Very high96.2Very high0 Ų019.4 Ų19.40%011%0.114CC..EExtended strand (participates in β ladder)trans-128145170.600000110.6Y307 A308 V309 S406 M407 I409Y307-A415 HydrophobicContact CE2-CB 4.06Å; A308-A415 CarbonylContact O-C 3.6Å; A308-A415 VanDerWaalsContact O-CA 3.25Å; A308-A415 WeakPolarHBondContact O-CA 3.36Å; V309-A415 HydrophobicContact CG2-CB 4.13Å; S406-A415 VanDerWaalsContact CA-O 3.24Å; S406-A415 WeakPolarHBondContact CA-O 3.21Å; S406-A415 PolarHBondContact OG-O 2.74Å; M407-A415 PolarHBondContact N-O 2.76Å; M407-A415 PolarHBondContact O-N 3.2Å; M407-A415 VanDerWaalsContact O-N 3.12Å; M407-A415 HydrophobicContact SD-CB 3.99Å; I409-A415 HydrophobicContact CD1-CB 3.74Å
416A98.9Very high96.1Very high0 Ų020.4 Ų20.40%012%0.12CC..EExtended strand (participates in β ladder)trans-143.8142.2174.500000111Y307 A308 A324 I325 A328 V405Y307-A416 CarbonylContact C-O 3.6Å; Y307-A416 WeakPolarHBondContact CA-O 3.35Å; Y307-A416 WeakPolarHBondContact CD2-O 3.22Å; A308-A416 PolarHBondContact N-O 3.42Å; A308-A416 PolarHBondContact O-N 2.74Å; A324-A416 HydrophobicContact CB-CB 3.82Å; I325-A416 HydrophobicContact CG1-CB 3.95Å; A328-A416 HydrophobicContact CB-CB 3.75Å; V405-A416 CarbonylContact O-C 3.56Å; V405-A416 WeakPolarHBondContact O-CA 3.36Å
417A98.9Very high95.9Very high0 Ų021.6 Ų21.60%013%0.126CC..EExtended strand (participates in β ladder)trans-128.3139174.300000110.5L127 L304 S306 Y307 V404 V405 F419L127-A417 HydrophobicContact CD1-CB 3.86Å; L127-A417 HydrophobicContact CD2-CB 4.06Å; L127-A417 HydrophobicContact CG-CB 4.35Å; L304-A417 HydrophobicContact CD1-CB 4.17Å; S306-A417 CarbonylContact O-C 3.56Å; S306-A417 VanDerWaalsContact O-CA 3.25Å; S306-A417 WeakPolarHBondContact O-CA 3.47Å; Y307-A417 HydrophobicContact CD2-CB 4.02Å; V404-A417 VanDerWaalsContact CA-O 3.31Å; V404-A417 WeakPolarHBondContact CA-O 3.09Å; V405-A417 PolarHBondContact N-O 3.04Å; V405-A417 PolarHBondContact O-N 3.43Å; A417-F419 HydrophobicContact CB-CD2 4.28Å; A417-F419 HydrophobicContact CB-CE2 3.55Å; A417-F419 HydrophobicContact CB-CZ 4.14Å
418V98.9Very high95.7Very high0 Ų022.8 Ų22.80%013%0.134CC..EExtended strand (participates in β ladder)trans-101.4128.2172.6179.50000108.8R305 S306 A328 L329 A332 L334 Y402 G403 V404R305-V418 HydrophobicContact CB-CB 4.34Å; R305-V418 HydrophobicContact CB-CG1 4.14Å; R305-V418 PolarHBondContact N-O 3.37Å; S306-V418 PolarHBondContact N-O 3.22Å; S306-V418 PolarHBondContact O-N 3.33Å; S306-V418 WeakPolarHBondContact OG-CB 3.34Å; S306-V418 VanDerWaalsContact OG-CG2 3.22Å; S306-V418 WeakPolarHBondContact OG-CG2 3.14Å; A328-V418 HydrophobicContact CB-CG2 4.12Å; L329-V418 HydrophobicContact CD2-CG2 3.99Å; A332-V418 HydrophobicContact CB-CB 4.09Å; A332-V418 HydrophobicContact CB-CG1 3.99Å; A332-V418 HydrophobicContact CB-CG2 4.04Å; L334-V418 HydrophobicContact CD1-CG1 3.83Å; Y402-V418 HydrophobicContact CD1-CG1 4.3Å; G403-V418 WeakPolarHBondContact O-CA 3.27Å; V404-V418 HydrophobicContact CG2-CG2 4.19Å
419F98.8Very high95.6Very high0 Ų024.3 Ų24.30%014%0.142CC..EExtended strand (participates in β ladder)trans-117147.9172.6-64.7-90.8000110.7V40 L127 V130 V303 L304 V387 L390 L391 Y402 G403 V405 A417V40-F419 HydrophobicContact CG2-CD1 4.27Å; V40-F419 HydrophobicContact CG2-CE1 3.98Å; L127-F419 HydrophobicContact CD1-CE2 4.41Å; L127-F419 HydrophobicContact CD1-CZ 4.43Å; V130-F419 HydrophobicContact CG1-CZ 4.27Å; V303-F419 CarbonylContact O-C 3.46Å; V303-F419 VanDerWaalsContact O-CA 3.26Å; V303-F419 WeakPolarHBondContact O-CA 3.27Å; L304-F419 HydrophobicContact CB-CD1 4.29Å; L304-F419 HydrophobicContact CB-CE1 4.04Å; L304-F419 HydrophobicContact CD1-CD1 4.21Å; L304-F419 HydrophobicContact CD1-CE1 3.7Å; L304-F419 HydrophobicContact CD1-CE2 4.33Å; L304-F419 HydrophobicContact CD1-CZ 3.76Å; L304-F419 HydrophobicContact CG-CE1 4.43Å; V387-F419 HydrophobicContact CB-CZ 4.32Å; V387-F419 HydrophobicContact CG1-CD1 4.49Å; V387-F419 HydrophobicContact CG1-CE1 3.9Å; V387-F419 HydrophobicContact CG1-CE2 4.22Å; V387-F419 HydrophobicContact CG1-CZ 3.75Å; V387-F419 HydrophobicContact CG2-CE2 3.7Å; V387-F419 HydrophobicContact CG2-CZ 3.57Å; L390-F419 HydrophobicContact CD2-CB 4.38Å; L390-F419 HydrophobicContact CD2-CD2 4.04Å; L391-F419 HydrophobicContact CD2-CB 3.97Å; L391-F419 HydrophobicContact CD2-CG 4.48Å; Y402-F419 CarbonylContact C-O 3.59Å; Y402-F419 WeakPolarHBondContact CA-O 3.41Å; G403-F419 PolarHBondContact N-O 2.91Å; G403-F419 PolarHBondContact O-N 3.46Å; V405-F419 HydrophobicContact CB-CE2 4.41Å; V405-F419 HydrophobicContact CG2-CD2 4.26Å; V405-F419 HydrophobicContact CG2-CE2 4.02Å; A417-F419 HydrophobicContact CB-CD2 4.28Å; A417-F419 HydrophobicContact CB-CE2 3.55Å; A417-F419 HydrophobicContact CB-CZ 4.14Å
420E98.7Very high95.4Very high11 Ų1125.9 Ų25.95%0.05115%0.152CC..EExtended strand (participates in β ladder)trans-111.9129169.4-179.3-177.3163.100109.4G302 V303 R305 R400 A401 Y402G302-E420 CarbonylContact C-O 3.52Å; G302-E420 WeakPolarHBondContact CA-O 3.47Å; V303-E420 HydrophobicContact CB-CB 4.37Å; V303-E420 PolarHBondContact N-O 3.2Å; V303-E420 PolarHBondContact O-N 3.22Å; R305-E420 HydrophobicContact CG-CB 4.05Å; R305-E420 IonicContact CZ-OE2 2.92Å; R305-E420 IonicContact NE-OE2 2.69Å; R305-E420 PolarHBondContact NE-OE2 2.8Å; R305-E420 IonicContact NH2-OE1 3.26Å; R305-E420 IonicContact NH2-OE2 3.74Å; R305-E420 PolarHBondContact NH2-OE2 2.95Å; R400-E420 IonicContact CZ-OE1 3.47Å; R400-E420 IonicContact NE-OE1 2.8Å; R400-E420 PolarHBondContact NE-OE1 3.48Å; R400-E420 IonicContact NH2-OE1 3.83Å; R400-E420 PolarHBondContact NH2-OE1 3.34Å; R400-E420 IonicContact NH2-OE2 2.79Å; R400-E420 PolarHBondContact NH2-OE2 3.48Å; A401-E420 WeakPolarHBondContact O-CA 3.18Å; Y402-E420 HydrophobicContact CD1-CB 3.86Å; Y402-E420 HydrophobicContact CD1-CG 4.16Å; Y402-E420 HydrophobicContact CE1-CB 3.78Å; Y402-E420 HydrophobicContact CE1-CG 3.84Å
421Y98.4Very high95.3Very high7 Ų727.4 Ų27.43%0.02716%0.16CC..EExtended strand (participates in β ladder)trans-89.6126.4161.6175.4-113.2000108.2L301 L394 K395 K399 R400 A401 G423 N424L301-Y421 WeakPolarHBondContact O-CD2 3.36Å; L394-Y421 HydrophobicContact CB-CD1 4.34Å; L394-Y421 HydrophobicContact CB-CG 4.03Å; K395-Y421 HydrophobicContact CB-CD2 4.35Å; K395-Y421 HydrophobicContact CB-CE2 3.81Å; K395-Y421 HydrophobicContact CG-CE2 4.05Å; K399-Y421 VanDerWaalsContact O-CD1 3.28Å; K399-Y421 WeakPolarHBondContact O-CD1 3.37Å; R400-Y421 VanDerWaalsContact CA-O 3.28Å; R400-Y421 WeakPolarHBondContact CA-O 3.41Å; R400-Y421 WeakPolarHBondContact CG-O 3.27Å; A401-Y421 PolarHBondContact N-O 3.19Å; A401-Y421 VanDerWaalsContact N-O 3.15Å; A401-Y421 PolarHBondContact O-N 3.04Å; Y421-G423 VanDerWaalsContact CE1-CA 3.46Å; Y421-G423 PolarHBondContact O-N 3.4Å; Y421-N424 PolarHBondContact OH-OD1 2.63Å
422P92.8Very high95.2Very high53 Ų5325.2 Ų25.234%0.34415%0.145SC..  trans-67.8-19.6-172.725.4-35.1000114.4I300 R400I300-P422 HydrophobicContact CG2-CG 4.41Å; R400-P422 WeakPolarHBondContact CB-O 3.43Å
423G85.9Confident94.9Very high18 Ų1826.9 Ų26.919%0.18615%0.154CC..  trans91.7170.8-164.900000111.7Y421Y421-G423 VanDerWaalsContact CE1-CA 3.46Å; Y421-G423 PolarHBondContact O-N 3.4Å
424N70.7Confident94.5Very high195 Ų19525.8 Ų25.8100%1.04315%0.15SC*.  trans-91.90167-76.7-25.2000110.8Y421Y421-N424 PolarHBondContact OH-OD1 2.63Å

Retrieved 424 of 424 residues in 813.4 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).