A0A077Z5B6_TRITR Loading...

Tau tubulin kinase 1

AlphaFold DB , UniProt , Accession A0A077Z5B6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 372 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.6Very low51.2Low146 Ų14695.4 Ų95.472%0.71945%0.448SS*.  0-59.20-134.3-178.9-76.500112.8K3 R4 M5M1-K3 PolarHBondContact O-N 3.04Å; M1-R4 PolarHBondContact O-N 3.31Å; M1-R4 VanDerWaalsContact O-N 3.14Å; M1-M5 PolarHBondContact O-N 3.26Å
2H44.2Very low50.8Low134 Ų13494.8 Ų94.862%0.6244%0.438SS*.Hα-helixtrans-59.1-46-176.5-164.771.6000115R4 M5 L6H2-R4 VanDerWaalsContact C-N 3.3Å; H2-R4 PolarHBondContact O-N 3.43Å; H2-M5 WeakPolarHBondContact O-CB 3.2Å; H2-M5 PolarHBondContact O-N 3.34Å; H2-L6 PolarHBondContact O-N 3.38Å
3K55Low50.7Low183 Ų18393.2 Ų93.280%0.79643%0.434SS*.Hα-helixtrans-59.6-38.2174.6-75.6-173175.9-177.50113.3M1 Q7M1-K3 PolarHBondContact O-N 3.04Å; K3-Q7 PolarHBondContact O-N 2.9Å; K3-Q7 VanDerWaalsContact O-N 3.08Å
4R53.6Low51Low62 Ų6295.4 Ų95.423%0.23444%0.441CS..Hα-helixtrans-71.1-38.3177.6-117.2-174.1-172.917011.7111.9M1 H2 Q7 V8 D352M1-R4 PolarHBondContact O-N 3.31Å; M1-R4 VanDerWaalsContact O-N 3.14Å; H2-R4 VanDerWaalsContact C-N 3.3Å; H2-R4 PolarHBondContact O-N 3.43Å; R4-Q7 PolarHBondContact O-N 3.23Å; R4-V8 WeakPolarHBondContact O-CB 3.45Å; R4-V8 VanDerWaalsContact O-CG2 3.28Å; R4-V8 WeakPolarHBondContact O-CG2 3.29Å; R4-V8 PolarHBondContact O-N 2.91Å; R4-D352 IonicContact CZ-OD1 2.94Å; R4-D352 IonicContact NE-OD1 3.68Å; R4-D352 IonicContact NH1-OD1 2.63Å; R4-D352 PolarHBondContact NH1-OD1 2.84Å; R4-D352 IonicContact NH2-OD1 3.5Å; R4-D352 PolarHBondContact NH2-OD1 3.27Å
5M43.1Very low50.2Low54 Ų5497 Ų9727%0.26644%0.443SS..Hα-helixtrans-58.9-47.9174-176.1-176.4-7500110.7M1 H2 Q7 V8 I9M1-M5 PolarHBondContact O-N 3.26Å; H2-M5 WeakPolarHBondContact O-CB 3.2Å; H2-M5 PolarHBondContact O-N 3.34Å; M5-Q7 VanDerWaalsContact C-N 3.34Å; M5-Q7 PolarHBondContact O-N 3.14Å; M5-V8 PolarHBondContact O-N 3.43Å; M5-I9 HydrophobicContact CG-CD1 4.01Å; M5-I9 WeakPolarHBondContact O-CB 3.33Å; M5-I9 WeakPolarHBondContact O-CD1 3.28Å; M5-I9 VanDerWaalsContact O-CG1 3.23Å; M5-I9 WeakPolarHBondContact O-CG1 3.48Å; M5-I9 PolarHBondContact O-N 3.08Å
6L52Low49.5Very low84 Ų8498.3 Ų98.344%0.4445%0.45SS..Hα-helixtrans-59.8-43.5174.8-69173000112.1H2 I9 E10H2-L6 PolarHBondContact O-N 3.38Å; L6-I9 PolarHBondContact O-N 2.84Å; L6-E10 WeakPolarHBondContact O-CG 3.41Å; L6-E10 PolarHBondContact O-N 3.3Å
7Q60.8Low49.1Very low108 Ų108105.1 Ų105.151%0.50547%0.471SS..Hα-helixtrans-65.3-40178.5-166175.7-1.600112.6K3 R4 M5 E10 E11K3-Q7 PolarHBondContact O-N 2.9Å; K3-Q7 VanDerWaalsContact O-N 3.08Å; R4-Q7 PolarHBondContact O-N 3.23Å; M5-Q7 VanDerWaalsContact C-N 3.34Å; M5-Q7 PolarHBondContact O-N 3.14Å; Q7-E10 PolarHBondContact O-N 3.29Å; Q7-E11 WeakPolarHBondContact O-CB 3.23Å; Q7-E11 WeakPolarHBondContact O-CG 3.48Å; Q7-E11 PolarHBondContact O-N 2.92Å
8V49.2Very low48.6Very low14 Ų14109.2 Ų109.29%0.08549%0.488CS..Hα-helixtrans-68.2-38.8175.7173.20000111R4 M5 E11 R12 I368R4-V8 WeakPolarHBondContact O-CB 3.45Å; R4-V8 VanDerWaalsContact O-CG2 3.28Å; R4-V8 WeakPolarHBondContact O-CG2 3.29Å; R4-V8 PolarHBondContact O-N 2.91Å; M5-V8 PolarHBondContact O-N 3.43Å; V8-E11 PolarHBondContact O-N 3.33Å; V8-R12 WeakPolarHBondContact O-CB 3.41Å; V8-R12 PolarHBondContact O-N 3.32Å; V8-I368 HydrophobicContact CB-CG2 3.81Å; V8-I368 HydrophobicContact CG1-CB 4.24Å; V8-I368 HydrophobicContact CG1-CG2 3.64Å; V8-I368 HydrophobicContact CG2-CD1 4.35Å; V8-I368 HydrophobicContact CG2-CG2 4.06Å
9I49.3Very low47.6Very low55 Ų55105.1 Ų105.128%0.28248%0.479SS..Hα-helixtrans-60-47.3172.6-70.3163.2000110.2M5 L6 E11 R12 I13M5-I9 HydrophobicContact CG-CD1 4.01Å; M5-I9 WeakPolarHBondContact O-CB 3.33Å; M5-I9 WeakPolarHBondContact O-CD1 3.28Å; M5-I9 VanDerWaalsContact O-CG1 3.23Å; M5-I9 WeakPolarHBondContact O-CG1 3.48Å; M5-I9 PolarHBondContact O-N 3.08Å; L6-I9 PolarHBondContact O-N 2.84Å; I9-E11 PolarHBondContact O-N 2.92Å; I9-R12 PolarHBondContact O-N 2.89Å; I9-I13 HydrophobicContact CG2-CD1 3.82Å; I9-I13 HydrophobicContact CG2-CG1 4.46Å; I9-I13 VanDerWaalsContact O-CG1 3.29Å; I9-I13 WeakPolarHBondContact O-CG1 3.45Å; I9-I13 PolarHBondContact O-N 2.84Å
10E61.2Low46.9Very low110 Ų110104.8 Ų104.851%0.51449%0.487SS..Hα-helixtrans-62.1-40.2176.6-75.2-178.8-176.500112.8L6 Q7 K14L6-E10 WeakPolarHBondContact O-CG 3.41Å; L6-E10 PolarHBondContact O-N 3.3Å; Q7-E10 PolarHBondContact O-N 3.29Å; E10-K14 WeakPolarHBondContact O-CB 3.48Å; E10-K14 VanDerWaalsContact O-CG 3.27Å; E10-K14 WeakPolarHBondContact O-CG 3.38Å; E10-K14 PolarHBondContact O-N 3.38Å
11E56.2Low46.4Very low99 Ų99108.4 Ų108.446%0.46350%0.502SS..Hα-helixtrans-67.1-37.6175.9-76.8-178.4-179.500112Q7 V8 I9 K14 Y15Q7-E11 WeakPolarHBondContact O-CB 3.23Å; Q7-E11 WeakPolarHBondContact O-CG 3.48Å; Q7-E11 PolarHBondContact O-N 2.92Å; V8-E11 PolarHBondContact O-N 3.33Å; I9-E11 PolarHBondContact O-N 2.92Å; E11-K14 CarbonylContact O-C 3.58Å; E11-K14 WeakPolarHBondContact O-CB 3.49Å; E11-K14 PolarHBondContact O-N 3.15Å; E11-Y15 WeakPolarHBondContact O-CB 3.45Å; E11-Y15 PolarHBondContact O-N 3.02Å
12R46.6Very low46Very low89 Ų89110.9 Ų110.934%0.33651%0.511SS..Hα-helixtrans-69.3-43175.9-165.6175.1-176.8-144.93.9111.8V8 I9 K14 Y15 E16 S369 S372V8-R12 WeakPolarHBondContact O-CB 3.41Å; V8-R12 PolarHBondContact O-N 3.32Å; I9-R12 PolarHBondContact O-N 2.89Å; R12-K14 PolarHBondContact O-N 3.38Å; R12-Y15 CarbonylContact O-C 3.58Å; R12-Y15 WeakPolarHBondContact O-CA 3.48Å; R12-Y15 WeakPolarHBondContact O-CB 3.48Å; R12-Y15 PolarHBondContact O-N 2.79Å; R12-E16 HydrophobicContact CG-CG 4.37Å; R12-E16 IonicContact CZ-OE1 3.9Å; R12-E16 IonicContact NE-OE1 2.8Å; R12-E16 PolarHBondContact NE-OE1 3.05Å; R12-E16 IonicContact NH2-OE1 2.62Å; R12-E16 WeakPolarHBondContact O-CB 3.5Å; R12-E16 WeakPolarHBondContact O-CG 3.39Å; R12-E16 PolarHBondContact O-N 3Å; R12-S369 PolarHBondContact NH1-O 3.27Å; R12-S372 WeakPolarHBondContact CD-OG 3.44Å; R12-S372 PolarHBondContact NH1-OG 3.45Å; R12-S372 PolarHBondContact NH1-OXT 2.73Å
13I49.7Very low45.5Very low74 Ų74107.7 Ų107.738%0.37951%0.514SS..Hα-helixtrans-58.4-38.6171.8-68.1167.2000110.4I9 R17I9-I13 HydrophobicContact CG2-CD1 3.82Å; I9-I13 HydrophobicContact CG2-CG1 4.46Å; I9-I13 VanDerWaalsContact O-CG1 3.29Å; I9-I13 WeakPolarHBondContact O-CG1 3.45Å; I9-I13 PolarHBondContact O-N 2.84Å; I13-R17 WeakPolarHBondContact O-CB 3.38Å; I13-R17 WeakPolarHBondContact O-CG 3.38Å; I13-R17 PolarHBondContact O-N 2.63Å; I13-R17 VanDerWaalsContact O-N 3.15Å
14K55.2Low44.5Very low124 Ų124108.5 Ų108.554%0.53952%0.518SS..Hα-helixtrans-68.8-34.9173.9-74.7169.3-174165.80112.7E10 E11 R12 K18E10-K14 WeakPolarHBondContact O-CB 3.48Å; E10-K14 VanDerWaalsContact O-CG 3.27Å; E10-K14 WeakPolarHBondContact O-CG 3.38Å; E10-K14 PolarHBondContact O-N 3.38Å; E11-K14 CarbonylContact O-C 3.58Å; E11-K14 WeakPolarHBondContact O-CB 3.49Å; E11-K14 PolarHBondContact O-N 3.15Å; R12-K14 PolarHBondContact O-N 3.38Å; K14-K18 WeakPolarHBondContact O-CB 3.42Å; K14-K18 VanDerWaalsContact O-CG 3.31Å; K14-K18 WeakPolarHBondContact O-CG 3.47Å; K14-K18 PolarHBondContact O-N 3Å
15Y38.8Very low43.3Very low119 Ų119110.8 Ų110.847%0.46754%0.543SS..Hα-helixtrans-72.8-46.6178.4-175.9-96.1000111.9E11 R12 R17 K18 G19 P20E11-Y15 WeakPolarHBondContact O-CB 3.45Å; E11-Y15 PolarHBondContact O-N 3.02Å; R12-Y15 CarbonylContact O-C 3.58Å; R12-Y15 WeakPolarHBondContact O-CA 3.48Å; R12-Y15 WeakPolarHBondContact O-CB 3.48Å; R12-Y15 PolarHBondContact O-N 2.79Å; Y15-R17 VanDerWaalsContact C-N 3.29Å; Y15-R17 PolarHBondContact O-N 3.22Å; Y15-K18 CarbonylContact O-C 3.49Å; Y15-K18 WeakPolarHBondContact O-CA 3.27Å; Y15-K18 PolarHBondContact O-N 2.95Å; Y15-G19 PolarHBondContact O-N 3.27Å; Y15-P20 HydrophobicContact CE1-CB 3.93Å; Y15-P20 VanDerWaalsContact CZ-CA 3.45Å; Y15-P20 WeakPolarHBondContact OH-CA 3.5Å; Y15-P20 WeakPolarHBondContact OH-CB 3.31Å
16E39.5Very low43.3Very low118 Ų118114.8 Ų114.855%0.55157%0.57SS**Hα-helixtrans-61.3-38.2176-71.6175.4177.900111.4R12 K18R12-E16 HydrophobicContact CG-CG 4.37Å; R12-E16 IonicContact CZ-OE1 3.9Å; R12-E16 IonicContact NE-OE1 2.8Å; R12-E16 PolarHBondContact NE-OE1 3.05Å; R12-E16 IonicContact NH2-OE1 2.62Å; R12-E16 WeakPolarHBondContact O-CB 3.5Å; R12-E16 WeakPolarHBondContact O-CG 3.39Å; R12-E16 PolarHBondContact O-N 3Å; E16-K18 VanDerWaalsContact C-N 3.27Å; E16-K18 PolarHBondContact O-N 2.96Å
17R41.9Very low42.4Very low213 Ų213118.5 Ų118.580%0.80459%0.586SS**THydrogen-bonded Turntrans-69.2-19.4172.3-74.1177.8-178.9-171.31.1114.3I13 Y15I13-R17 WeakPolarHBondContact O-CB 3.38Å; I13-R17 WeakPolarHBondContact O-CG 3.38Å; I13-R17 PolarHBondContact O-N 2.63Å; I13-R17 VanDerWaalsContact O-N 3.15Å; Y15-R17 VanDerWaalsContact C-N 3.29Å; Y15-R17 PolarHBondContact O-N 3.22Å
18K40.8Very low41.3Very low179 Ų179122.8 Ų122.878%0.77861%0.606SS**THydrogen-bonded Turntrans-104.2-1.7-179-75.4-175.2177.6-174.60113.8K14 Y15 E16K14-K18 WeakPolarHBondContact O-CB 3.42Å; K14-K18 VanDerWaalsContact O-CG 3.31Å; K14-K18 WeakPolarHBondContact O-CG 3.47Å; K14-K18 PolarHBondContact O-N 3Å; Y15-K18 CarbonylContact O-C 3.49Å; Y15-K18 WeakPolarHBondContact O-CA 3.27Å; Y15-K18 PolarHBondContact O-N 2.95Å; E16-K18 VanDerWaalsContact C-N 3.27Å; E16-K18 PolarHBondContact O-N 2.96Å
19G28.8Very low40.7Very low31 Ų31128 Ų12832%0.3263%0.633SS.*  trans65.9154-172.300000112Y15 K21Y15-G19 PolarHBondContact O-N 3.27Å; G19-K21 PolarHBondContact O-N 3.22Å; G19-K21 VanDerWaalsContact O-N 3.14Å
20P34.2Very low40.6Very low99 Ų99130.2 Ų130.264%0.64366%0.659SS**  trans-65.5119.4179.226.5-32.4000110.5Y15 Q22Y15-P20 HydrophobicContact CE1-CB 3.93Å; Y15-P20 VanDerWaalsContact CZ-CA 3.45Å; Y15-P20 WeakPolarHBondContact OH-CA 3.5Å; Y15-P20 WeakPolarHBondContact OH-CB 3.31Å; P20-Q22 PolarHBondContact O-N 3.15Å; P20-Q22 VanDerWaalsContact O-N 3.17Å
21K36.1Very low40.7Very low182 Ų182131.9 Ų131.979%0.79167%0.672SS**  trans-64.3115.2165.6-76-172175.1-174.30107.6G19 G23G19-K21 PolarHBondContact O-N 3.22Å; G19-K21 VanDerWaalsContact O-N 3.14Å; K21-G23 PolarHBondContact O-N 3.31Å
22Q30.8Very low41.5Very low198 Ų198128.6 Ų128.693%0.92566%0.664SS**  trans-44.7101.9174.7-71.6175.5-9.900110.2P20P20-Q22 PolarHBondContact O-N 3.15Å; P20-Q22 VanDerWaalsContact O-N 3.17Å
23G33.2Very low43.2Very low66 Ų66125.8 Ų125.868%0.6866%0.656SS**  trans-71.3139.1164.400000107.7K21 S25K21-G23 PolarHBondContact O-N 3.31Å; G23-S25 PolarHBondContact O-N 2.71Å; G23-S25 VanDerWaalsContact O-N 3.16Å
24K33.4Very low45Very low200 Ų200122.8 Ų122.887%0.8764%0.641SS**  trans-34.2118.6-175.2-71.9-178.7172.1-175.80111.9V26K24-V26 PolarHBondContact O-N 3.39Å
25S29.6Very low46.7Very low110 Ų110119.7 Ų119.777%0.76964%0.639SS**  trans-43.5109.2165.648.60000109.3G23 E27G23-S25 PolarHBondContact O-N 2.71Å; G23-S25 VanDerWaalsContact O-N 3.16Å; S25-E27 PolarHBondContact O-N 2.78Å
26V41.4Very low49.4Very low138 Ų138118.7 Ų118.784%0.83664%0.641SS**  trans-63.5121.6147.8-179.60000103.3K24 E28K24-V26 PolarHBondContact O-N 3.39Å; V26-E28 PolarHBondContact O-N 3.22Å
27E33.7Very low52Low163 Ų163114.8 Ų114.876%0.76263%0.632SS**  trans-40.9130.4176.2-70.9169.6153.500109S25 N29S25-E27 PolarHBondContact O-N 2.78Å; E27-N29 PolarHBondContact O-N 3.14Å
28E38.2Very low54.5Low198 Ų198108 Ų10893%0.92561%0.609SS**  trans-5787.1168.1-76.1177.6153.200107.4V26 A30V26-E28 PolarHBondContact O-N 3.22Å; E28-A30 VanDerWaalsContact C-N 3.31Å; E28-A30 PolarHBondContact O-N 3.37Å
29N36.1Very low57.2Low123 Ų123102.5 Ų102.566%0.65859%0.591SS**  trans-68.3101.2162.8-96.8-3.6000105.4E27 D31 G32E27-N29 PolarHBondContact O-N 3.14Å; N29-D31 PolarHBondContact O-N 3.12Å; N29-G32 PolarHBondContact O-N 3.21Å
30A47.1Very low60.3Low101 Ų101101.2 Ų101.284%0.83558%0.576SS**THydrogen-bonded Turntrans-59.40.1166.700000113.3E28E28-A30 VanDerWaalsContact C-N 3.31Å; E28-A30 PolarHBondContact O-N 3.37Å
31D63.9Low63.1Low146 Ų146101.5 Ų101.578%0.78157%0.567SS**THydrogen-bonded Turntrans-104.96.1-174.5-64.3-23.3000114.3N29N29-D31 PolarHBondContact O-N 3.12Å
32G72.7Confident65.9Low29 Ų29104.1 Ų104.130%0.29957%0.572SS.*SBendtrans-67.8156.1172.500000112.3N29 C34N29-G32 PolarHBondContact O-N 3.21Å; G32-C34 PolarHBondContact O-N 3.29Å
33I82Confident69Low30 Ų3097.5 Ų97.515%0.15454%0.539CS..SBendtrans-62.8-37.5-179.8-59.1171.4000110.5E57 I74 Q76 A141I33-E57 VanDerWaalsContact CB-OE2 3.27Å; I33-E57 WeakPolarHBondContact CB-OE2 3.32Å; I33-E57 HydrophobicContact CD1-CG 4.17Å; I33-E57 HydrophobicContact CG1-CG 4.49Å; I33-E57 WeakPolarHBondContact CG1-OE2 3.25Å; I33-E57 PolarHBondContact N-OE2 2.99Å; I33-I74 HydrophobicContact CB-CG2 4.4Å; I33-I74 HydrophobicContact CD1-CG2 4.38Å; I33-I74 HydrophobicContact CG2-CD1 3.77Å; I33-I74 HydrophobicContact CG2-CG1 3.9Å; I33-Q76 HydrophobicContact CD1-CG 3.88Å; I33-Q76 HydrophobicContact CG1-CG 3.85Å; I33-Q76 HydrophobicContact CG2-CG 4.34Å; I33-A141 HydrophobicContact CG2-CB 3.59Å
34C88.2Confident72Confident11 Ų1194.5 Ų94.57%0.07451%0.507CS..SBendtrans-136.7157.8174.2-80.60000111.5G32 E38 L46 Y59 I74G32-C34 PolarHBondContact O-N 3.29Å; C34-E38 WeakPolarHBondContact CA-OE2 3.12Å; C34-E38 VanDerWaalsContact CB-OE2 3.31Å; C34-E38 WeakPolarHBondContact CB-OE2 3.16Å; C34-E38 PolarHBondContact SG-OE2 2.99Å; C34-L46 HydrophobicContact CB-CD1 3.39Å; C34-Y59 PolarHBondContact O-OH 3.25Å; C34-I74 HydrophobicContact CB-CD1 4.12Å; C34-I74 WeakPolarHBondContact SG-CD1 3.26Å
35A91.1Very high75.1Confident60 Ų6089.2 Ų89.250%0.49648%0.484SS..  trans-92146.2-179.600000112.5G37 E38A35-G37 PolarHBondContact O-N 3.35Å; A35-E38 PolarHBondContact N-OE2 2.9Å; A35-E38 VanDerWaalsContact N-OE2 3.1Å; A35-E38 WeakPolarHBondContact O-CB 3.42Å; A35-E38 PolarHBondContact O-N 2.71Å; A35-E38 VanDerWaalsContact O-N 3.1Å
36I94.7Very high78.3Confident98 Ų9884 Ų8450%0.50345%0.447SS..THydrogen-bonded Turntrans-61.3133.7169.4-61.1-58.6000109.6E38 V47 Y59I36-E38 VanDerWaalsContact C-N 3.34Å; I36-V47 VanDerWaalsContact CG2-O 3.24Å; I36-V47 WeakPolarHBondContact CG2-O 3.12Å; I36-Y59 HydrophobicContact CD1-CD1 3.65Å; I36-Y59 HydrophobicContact CD1-CE1 3.66Å
37G94.5Very high80.9Confident35 Ų3580.1 Ų80.136%0.36142%0.424SS..THydrogen-bonded Turntrans91.9-14.5-174.800000114.5A35 L46A35-G37 PolarHBondContact O-N 3.35Å; G37-L46 WeakPolarHBondContact CA-O 3.49Å; G37-L46 PolarHBondContact N-O 3.47Å
38E94.9Very high83.8Confident71 Ų7177.5 Ų77.533%0.33241%0.412SS..  trans-59.5144173.3-169.9177.5161.400111C34 A35 I36 L40 K45 L46C34-E38 WeakPolarHBondContact CA-OE2 3.12Å; C34-E38 VanDerWaalsContact CB-OE2 3.31Å; C34-E38 WeakPolarHBondContact CB-OE2 3.16Å; C34-E38 PolarHBondContact SG-OE2 2.99Å; A35-E38 PolarHBondContact N-OE2 2.9Å; A35-E38 VanDerWaalsContact N-OE2 3.1Å; A35-E38 WeakPolarHBondContact O-CB 3.42Å; A35-E38 PolarHBondContact O-N 2.71Å; A35-E38 VanDerWaalsContact O-N 3.1Å; I36-E38 VanDerWaalsContact C-N 3.34Å; E38-L40 HydrophobicContact CG-CD2 4.09Å; E38-L40 WeakPolarHBondContact OE1-CD2 3.37Å; E38-K45 CarbonylContact O-C 3.55Å; E38-K45 WeakPolarHBondContact O-CA 3.39Å; E38-L46 HydrophobicContact CB-CD1 4.31Å; E38-L46 PolarHBondContact O-N 3.13Å
39V96Very high86.4Confident64 Ų6471.7 Ų71.739%0.38839%0.387SS..EExtended strand (participates in β ladder)trans-115.5106.2-179-175.50000110.3W44 K45 L64V39-W44 CarbonylContact C-O 3.52Å; V39-W44 WeakPolarHBondContact CA-O 3.25Å; V39-K45 HydrophobicContact CG2-CB 4.12Å; V39-K45 HydrophobicContact CG2-CG 4.1Å; V39-L64 HydrophobicContact CG1-CD1 3.55Å; V39-L64 HydrophobicContact CG2-CD1 4.13Å
40L94.5Very high89.1Confident4 Ų469.3 Ų69.32%0.02137%0.373CS..EExtended strand (participates in β ladder)trans-84137.9178.5-53.8-176.2000110.7E38 R42 R43 W44 L46 L72 I74 T138 F143E38-L40 HydrophobicContact CG-CD2 4.09Å; E38-L40 WeakPolarHBondContact OE1-CD2 3.37Å; L40-R42 PolarHBondContact O-N 3.42Å; L40-R43 PolarHBondContact O-N 2.99Å; L40-W44 HydrophobicContact CB-CB 4.34Å; L40-W44 PolarHBondContact N-O 2.87Å; L40-W44 PolarHBondContact O-N 3.23Å; L40-L46 HydrophobicContact CD1-CD2 4.28Å; L40-L72 HydrophobicContact CD1-CD1 3.86Å; L40-L72 HydrophobicContact CD1-CD2 3.92Å; L40-I74 HydrophobicContact CD1-CD1 4.46Å; L40-T138 HydrophobicContact CD2-CG2 3.78Å; L40-F143 HydrophobicContact CB-CE1 4.06Å; L40-F143 HydrophobicContact CB-CE2 4.41Å; L40-F143 HydrophobicContact CB-CZ 3.84Å; L40-F143 HydrophobicContact CD1-CD1 3.93Å; L40-F143 HydrophobicContact CD1-CD2 4.48Å; L40-F143 HydrophobicContact CD1-CE1 4.01Å; L40-F143 HydrophobicContact CD1-CG 4.16Å; L40-F143 HydrophobicContact CD1-CZ 4.32Å
41K93.7Very high91.1Very high105 Ų10565.8 Ų65.846%0.45735%0.347SS..THydrogen-bonded Turntrans49.429-176.3-72.7175.875.5-177.10114.4R43 D134 Y135 F143K41-R43 PolarHBondContact O-N 2.75Å; K41-D134 WeakPolarHBondContact CE-OD2 3.29Å; K41-D134 IonicContact NZ-OD1 3.86Å; K41-D134 PolarHBondContact NZ-OD1 3.01Å; K41-D134 IonicContact NZ-OD2 3.82Å; K41-D134 PolarHBondContact NZ-OD2 3.44Å; K41-Y135 PolarHBondContact NZ-O 3.26Å; K41-F143 HydrophobicContact CD-CE2 4.29Å; K41-F143 HydrophobicContact CD-CZ 3.71Å; K41-F143 HydrophobicContact CG-CZ 3.89Å
42R93.7Very high92.3Very high236 Ų23663.2 Ų63.289%0.89134%0.34SS*.THydrogen-bonded Turntrans55.420.3-175.5-54179.4-179.5178.7-0.8113.8L40L40-R42 PolarHBondContact O-N 3.42Å
43R96.1Very high92.7Very high60 Ų6064.4 Ų64.423%0.22635%0.352CS..THydrogen-bonded Turntrans-134.3-44.8-173.3-178.6172.8-178.5-172.2-1.6112.7L40 K41 D63 L64 V65L40-R43 PolarHBondContact O-N 2.99Å; K41-R43 PolarHBondContact O-N 2.75Å; R43-D63 WeakPolarHBondContact CG-OD1 3.48Å; R43-D63 IonicContact CZ-OD1 3.92Å; R43-D63 IonicContact CZ-OD2 3.37Å; R43-D63 VanDerWaalsContact NE-CG 3.31Å; R43-D63 IonicContact NE-OD1 3.68Å; R43-D63 PolarHBondContact NE-OD1 2.87Å; R43-D63 IonicContact NE-OD2 3.16Å; R43-D63 PolarHBondContact NE-OD2 2.82Å; R43-D63 IonicContact NH2-OD1 3.96Å; R43-D63 IonicContact NH2-OD2 2.95Å; R43-D63 PolarHBondContact NH2-OD2 3.18Å; R43-L64 WeakPolarHBondContact O-CB 3.16Å; R43-L64 VanDerWaalsContact O-CG 3.24Å; R43-L64 WeakPolarHBondContact O-CG 3.44Å; R43-L64 PolarHBondContact O-N 2.81Å; R43-V65 HydrophobicContact CG-CG2 4.08Å
44W97Very high92.6Very high2 Ų267 Ų671%0.00839%0.387CS..EExtended strand (participates in β ladder)trans-99.599.4-170.1-51.6112.7000109.9V39 L40 D63 V70 L72 D134 V145V39-W44 CarbonylContact C-O 3.52Å; V39-W44 WeakPolarHBondContact CA-O 3.25Å; L40-W44 HydrophobicContact CB-CB 4.34Å; L40-W44 PolarHBondContact N-O 2.87Å; L40-W44 PolarHBondContact O-N 3.23Å; W44-D63 HydrophobicContact CE3-CB 4.06Å; W44-D63 HydrophobicContact CH2-CB 4.36Å; W44-D63 WeakPolarHBondContact CH2-OD2 3.28Å; W44-D63 HydrophobicContact CZ3-CB 3.54Å; W44-D63 WeakPolarHBondContact CZ3-OD2 3.28Å; W44-V70 HydrophobicContact CE3-CG2 3.79Å; W44-V70 HydrophobicContact CZ3-CG1 3.94Å; W44-V70 HydrophobicContact CZ3-CG2 3.86Å; W44-L72 HydrophobicContact CB-CD1 3.79Å; W44-L72 HydrophobicContact CG-CD1 4.34Å; W44-D134 HydrophobicContact CZ2-CB 3.76Å; W44-D134 PolarHBondContact NE1-OD2 2.88Å; W44-V145 HydrophobicContact CD2-CG1 4Å; W44-V145 HydrophobicContact CD2-CG2 4.03Å; W44-V145 HydrophobicContact CE3-CG1 3.87Å; W44-V145 HydrophobicContact CG-CG2 4.09Å; W44-V145 HydrophobicContact CH2-CG1 3.91Å; W44-V145 HydrophobicContact CZ2-CB 4.41Å; W44-V145 HydrophobicContact CZ2-CG1 4.06Å; W44-V145 HydrophobicContact CZ2-CG2 4.44Å; W44-V145 HydrophobicContact CZ3-CG1 3.8Å
45K97.4Very high92.2Very high89 Ų8970.9 Ų70.939%0.38740%0.402SS..EExtended strand (participates in β ladder)trans-85.2118177.3-176.9175.9-178.6179.40110.1E38 V39 V47 A61 A62 L64E38-K45 CarbonylContact O-C 3.55Å; E38-K45 WeakPolarHBondContact O-CA 3.39Å; V39-K45 HydrophobicContact CG2-CB 4.12Å; V39-K45 HydrophobicContact CG2-CG 4.1Å; K45-V47 HydrophobicContact CG-CG2 4.49Å; K45-V47 WeakPolarHBondContact O-CG2 3.26Å; K45-A61 CarbonylContact O-C 3.49Å; K45-A61 WeakPolarHBondContact O-CA 3.46Å; K45-A61 WeakPolarHBondContact O-CB 3.44Å; K45-A62 PolarHBondContact N-O 2.92Å; K45-A62 PolarHBondContact O-N 2.98Å; K45-L64 HydrophobicContact CB-CD1 4.31Å; K45-L64 HydrophobicContact CB-CD2 3.92Å; K45-L64 HydrophobicContact CB-CG 4.1Å; K45-L64 HydrophobicContact CD-CD2 4.24Å
46L96.9Very high92.2Very high0 Ų068.8 Ų68.80%039%0.386CS..EExtended strand (participates in β ladder)trans-67.3132174.5-55.9-172.8000109.8C34 G37 E38 L40 Y59 A61 L72C34-L46 HydrophobicContact CB-CD1 3.39Å; G37-L46 WeakPolarHBondContact CA-O 3.49Å; G37-L46 PolarHBondContact N-O 3.47Å; E38-L46 HydrophobicContact CB-CD1 4.31Å; E38-L46 PolarHBondContact O-N 3.13Å; L40-L46 HydrophobicContact CD1-CD2 4.28Å; L46-Y59 HydrophobicContact CB-CD1 4.34Å; L46-Y59 HydrophobicContact CD1-CD1 4.24Å; L46-Y59 HydrophobicContact CD1-CE1 4.28Å; L46-Y59 HydrophobicContact CD1-CG 4.34Å; L46-Y59 HydrophobicContact CD2-CG 4.15Å; L46-A61 HydrophobicContact CD2-CB 4.25Å; L46-L72 HydrophobicContact CD2-CB 4.39Å; L46-L72 HydrophobicContact CD2-CD1 3.92Å; L46-L72 HydrophobicContact CD2-CD2 4.03Å; L46-L72 HydrophobicContact CD2-CG 4.33Å
47V96Very high92.2Very high58 Ų5865.6 Ų65.635%0.35237%0.369SS..EExtended strand (participates in β ladder)trans-123.2-41.2-175.1172.70000113.1I36 K45 E60 A62 R69I36-V47 VanDerWaalsContact CG2-O 3.24Å; I36-V47 WeakPolarHBondContact CG2-O 3.12Å; K45-V47 HydrophobicContact CG-CG2 4.49Å; K45-V47 WeakPolarHBondContact O-CG2 3.26Å; V47-E60 PolarHBondContact N-O 3.21Å; V47-A62 HydrophobicContact CG2-CB 4.43Å; V47-R69 VanDerWaalsContact CB-NH1 3.34Å
48E94.5Very high92.2Very high108 Ų10865.8 Ų65.851%0.50536%0.363SS..EExtended strand (participates in β ladder)trans-147.7143.7177.2-173.8172.1-178.900110.4I50 Y59 E60E48-I50 HydrophobicContact CB-CG2 4.47Å; E48-I50 HydrophobicContact CG-CG2 4.36Å; E48-Y59 CarbonylContact O-C 3.46Å; E48-Y59 WeakPolarHBondContact O-CA 3.46Å; E48-Y59 WeakPolarHBondContact O-CB 3.49Å; E48-E60 HydrophobicContact CB-CB 4.4Å; E48-E60 PolarHBondContact N-O 3.08Å; E48-E60 PolarHBondContact O-N 2.76Å
49L94.6Very high92.3Very high75 Ų7562.7 Ų62.739%0.39335%0.349SS..EExtended strand (participates in β ladder)trans-81.7114.8169.5179.670.7000108.6G51 E57 Y59L49-G51 WeakPolarHBondContact CD1-O 3.31Å; L49-E57 HydrophobicContact CD1-CB 3.86Å; L49-E57 HydrophobicContact CD1-CG 4.25Å; L49-Y59 HydrophobicContact CB-CD1 4.16Å; L49-Y59 HydrophobicContact CB-CE1 4.07Å; L49-Y59 HydrophobicContact CD1-CD1 4.12Å; L49-Y59 HydrophobicContact CD1-CD2 4.23Å; L49-Y59 HydrophobicContact CD1-CE1 3.84Å; L49-Y59 HydrophobicContact CD1-CE2 3.9Å; L49-Y59 HydrophobicContact CD1-CG 4.33Å
50I92.4Very high92.3Very high73 Ų7359.9 Ų59.937%0.37433%0.332SS..EExtended strand (participates in β ladder)trans-105.4-11.4-175.662.3173.7000113.5E48 V58 E60 L148E48-I50 HydrophobicContact CB-CG2 4.47Å; E48-I50 HydrophobicContact CG-CG2 4.36Å; I50-V58 HydrophobicContact CD1-CG1 3.95Å; I50-V58 HydrophobicContact CG1-CB 4.2Å; I50-V58 HydrophobicContact CG1-CG1 3.82Å; I50-V58 VanDerWaalsContact CG1-O 3.26Å; I50-V58 WeakPolarHBondContact CG1-O 3.31Å; I50-V58 PolarHBondContact N-O 3.27Å; I50-E60 HydrophobicContact CD1-CB 4.45Å; I50-E60 HydrophobicContact CG2-CB 3.84Å; I50-L148 HydrophobicContact CD1-CD1 3.8Å
51G89.2Confident92.5Very high27 Ų2759.7 Ų59.728%0.27833%0.331SS..EExtended strand (participates in β ladder)trans-166.5151.5172.600000112.6L49 E57 V58L49-G51 WeakPolarHBondContact CD1-O 3.31Å; G51-E57 CarbonylContact O-C 3.43Å; G51-V58 PolarHBondContact N-O 3.29Å; G51-V58 PolarHBondContact O-N 3.17Å
52S88.2Confident92.5Very high93 Ų9355.5 Ų55.565%0.6532%0.315SS*.EExtended strand (participates in β ladder)trans-146151.9172.8610000110.3
53G82.3Confident92.6Very high53 Ų5344.5 Ų44.555%0.54627%0.274SS..EExtended strand (participates in β ladder)trans-173.7-172.8179.300000112.5F55 G56G53-F55 PolarHBondContact O-N 2.87Å; G53-G56 PolarHBondContact N-O 3Å; G53-G56 PolarHBondContact O-N 2.73Å; G53-G56 VanDerWaalsContact O-N 3.09Å
54G78.3Confident92.5Very high85 Ų8546.1 Ų46.188%0.87629%0.287SS*.THydrogen-bonded Turntrans-65.1-8-177.100000115.5
55F81.4Confident92.3Very high92 Ų9251.3 Ų51.340%0.40432%0.318SS..THydrogen-bonded Turntrans-106.88.5178.2-59.6-67.7000113.1G53 A83 L218G53-F55 PolarHBondContact O-N 2.87Å; F55-A83 HydrophobicContact CB-CB 4.05Å; F55-A83 HydrophobicContact CD1-CB 3.58Å; F55-A83 HydrophobicContact CE1-CB 4.33Å; F55-A83 HydrophobicContact CG-CB 4.05Å; F55-L218 HydrophobicContact CE1-CD2 4.47Å; F55-L218 HydrophobicContact CE2-CD2 4.49Å; F55-L218 HydrophobicContact CE2-CG 4.47Å; F55-L218 HydrophobicContact CZ-CD2 3.83Å; F55-L218 HydrophobicContact CZ-CG 4.27Å
56G90.2Very high91.9Very high16 Ų1652 Ų5217%0.16533%0.326CS..EExtended strand (participates in β ladder)trans115.8-158.7-178.700000113.6G53 I74G53-G56 PolarHBondContact N-O 3Å; G53-G56 PolarHBondContact O-N 2.73Å; G53-G56 VanDerWaalsContact O-N 3.09Å; G56-I74 CarbonylContact C-O 3.5Å; G56-I74 VanDerWaalsContact CA-O 3.28Å; G56-I74 WeakPolarHBondContact CA-O 3.17Å
57E94.6Very high91.5Very high31 Ų3154.3 Ų54.315%0.14535%0.35CS..EExtended strand (participates in β ladder)trans-121.7151.6-170.6-66.6175.8146.300110.4I33 L49 G51 Y59 K73 I74I33-E57 VanDerWaalsContact CB-OE2 3.27Å; I33-E57 WeakPolarHBondContact CB-OE2 3.32Å; I33-E57 HydrophobicContact CD1-CG 4.17Å; I33-E57 HydrophobicContact CG1-CG 4.49Å; I33-E57 WeakPolarHBondContact CG1-OE2 3.25Å; I33-E57 PolarHBondContact N-OE2 2.99Å; L49-E57 HydrophobicContact CD1-CB 3.86Å; L49-E57 HydrophobicContact CD1-CG 4.25Å; G51-E57 CarbonylContact O-C 3.43Å; E57-Y59 HydrophobicContact CB-CD2 4.28Å; E57-Y59 HydrophobicContact CB-CE2 3.57Å; E57-Y59 PolarHBondContact OE2-OH 3.49Å; E57-K73 CarbonylContact O-C 3.5Å; E57-K73 WeakPolarHBondContact O-CA 3.38Å; E57-I74 HydrophobicContact CB-CG2 3.79Å; E57-I74 PolarHBondContact N-O 3.38Å; E57-I74 PolarHBondContact O-N 3.09Å
58V95.5Very high91.2Very high39 Ų3954.4 Ų54.424%0.23635%0.351CS..EExtended strand (participates in β ladder)trans-126.6123.3177-1720000107.8I50 G51 A71 L72 K73I50-V58 HydrophobicContact CD1-CG1 3.95Å; I50-V58 HydrophobicContact CG1-CB 4.2Å; I50-V58 HydrophobicContact CG1-CG1 3.82Å; I50-V58 VanDerWaalsContact CG1-O 3.26Å; I50-V58 WeakPolarHBondContact CG1-O 3.31Å; I50-V58 PolarHBondContact N-O 3.27Å; G51-V58 PolarHBondContact N-O 3.29Å; G51-V58 PolarHBondContact O-N 3.17Å; V58-A71 HydrophobicContact CG1-CB 4.38Å; V58-L72 CarbonylContact C-O 3.59Å; V58-L72 WeakPolarHBondContact CA-O 3.21Å; V58-K73 HydrophobicContact CG2-CB 4.25Å; V58-K73 HydrophobicContact CG2-CD 4.22Å; V58-K73 HydrophobicContact CG2-CG 3.92Å
59Y96.9Very high91.1Very high6 Ų652 Ų522%0.02434%0.337CS..EExtended strand (participates in β ladder)trans-112147.6179.6-65.6-99.3000110.7C34 I36 L46 E48 L49 E57 A71 L72 I74C34-Y59 PolarHBondContact O-OH 3.25Å; I36-Y59 HydrophobicContact CD1-CD1 3.65Å; I36-Y59 HydrophobicContact CD1-CE1 3.66Å; L46-Y59 HydrophobicContact CB-CD1 4.34Å; L46-Y59 HydrophobicContact CD1-CD1 4.24Å; L46-Y59 HydrophobicContact CD1-CE1 4.28Å; L46-Y59 HydrophobicContact CD1-CG 4.34Å; L46-Y59 HydrophobicContact CD2-CG 4.15Å; E48-Y59 CarbonylContact O-C 3.46Å; E48-Y59 WeakPolarHBondContact O-CA 3.46Å; E48-Y59 WeakPolarHBondContact O-CB 3.49Å; L49-Y59 HydrophobicContact CB-CD1 4.16Å; L49-Y59 HydrophobicContact CB-CE1 4.07Å; L49-Y59 HydrophobicContact CD1-CD1 4.12Å; L49-Y59 HydrophobicContact CD1-CD2 4.23Å; L49-Y59 HydrophobicContact CD1-CE1 3.84Å; L49-Y59 HydrophobicContact CD1-CE2 3.9Å; L49-Y59 HydrophobicContact CD1-CG 4.33Å; E57-Y59 HydrophobicContact CB-CD2 4.28Å; E57-Y59 HydrophobicContact CB-CE2 3.57Å; E57-Y59 PolarHBondContact OE2-OH 3.49Å; Y59-A71 CarbonylContact O-C 3.59Å; Y59-A71 WeakPolarHBondContact O-CA 3.15Å; Y59-L72 PolarHBondContact N-O 3.46Å; Y59-L72 PolarHBondContact O-N 2.92Å; Y59-I74 HydrophobicContact CD2-CG2 3.96Å; Y59-I74 HydrophobicContact CE2-CG2 3.59Å
60E96.1Very high91.1Very high6 Ų648.4 Ų48.43%0.02832%0.319CS..EExtended strand (participates in β ladder)trans-78.3126.8154.8-161.9-179.114100108.6V47 E48 I50 R69 V70 L148 Y366 Y370V47-E60 PolarHBondContact N-O 3.21Å; E48-E60 HydrophobicContact CB-CB 4.4Å; E48-E60 PolarHBondContact N-O 3.08Å; E48-E60 PolarHBondContact O-N 2.76Å; I50-E60 HydrophobicContact CD1-CB 4.45Å; I50-E60 HydrophobicContact CG2-CB 3.84Å; E60-R69 IonicContact OE1-CZ 3.52Å; E60-R69 IonicContact OE1-NE 3.94Å; E60-R69 PolarHBondContact OE1-NE 3.48Å; E60-R69 IonicContact OE1-NH2 3.2Å; E60-R69 PolarHBondContact OE1-NH2 3.22Å; E60-R69 IonicContact OE2-NH2 3.88Å; E60-V70 WeakPolarHBondContact CA-O 3.46Å; E60-L148 HydrophobicContact CG-CD1 4.11Å; E60-L148 HydrophobicContact CG-CD2 3.63Å; E60-Y366 PolarHBondContact OE2-OH 2.94Å; E60-Y370 WeakPolarHBondContact OE1-CE1 3.49Å; E60-Y370 PolarHBondContact OE1-OH 3.24Å; E60-Y370 PolarHBondContact OE2-OH 3.2Å
61A96.7Very high91.3Very high0 Ų045.4 Ų45.40%031%0.305CS..EExtended strand (participates in β ladder)trans-123.9153.217900000111.4K45 L46 R69 V70 L72K45-A61 CarbonylContact O-C 3.49Å; K45-A61 WeakPolarHBondContact O-CA 3.46Å; K45-A61 WeakPolarHBondContact O-CB 3.44Å; L46-A61 HydrophobicContact CD2-CB 4.25Å; A61-R69 WeakPolarHBondContact O-CA 3.28Å; A61-V70 HydrophobicContact CB-CG2 3.83Å; A61-V70 PolarHBondContact N-O 3.36Å; A61-V70 PolarHBondContact O-N 2.98Å; A61-L72 HydrophobicContact CB-CB 4.14Å; A61-L72 HydrophobicContact CB-CD1 4.43Å
62A95.6Very high91.6Very high16 Ų1644.1 Ų44.113%0.13229%0.291CS..EExtended strand (participates in β ladder)trans-97.4132.6167.500000109.6K45 V47 L64 R69K45-A62 PolarHBondContact N-O 2.92Å; K45-A62 PolarHBondContact O-N 2.98Å; V47-A62 HydrophobicContact CG2-CB 4.43Å; A62-L64 PolarHBondContact O-N 3.24Å; A62-R69 VanDerWaalsContact N-NH1 3.18Å
63D94.5Very high92Very high6 Ų640.4 Ų40.43%0.03226%0.264CS..EExtended strand (participates in β ladder)trans-69.7115.9159.1-163.9-23.3000108.9R43 W44 V65 D66 G67 T68R43-D63 WeakPolarHBondContact CG-OD1 3.48Å; R43-D63 IonicContact CZ-OD1 3.92Å; R43-D63 IonicContact CZ-OD2 3.37Å; R43-D63 VanDerWaalsContact NE-CG 3.31Å; R43-D63 IonicContact NE-OD1 3.68Å; R43-D63 PolarHBondContact NE-OD1 2.87Å; R43-D63 IonicContact NE-OD2 3.16Å; R43-D63 PolarHBondContact NE-OD2 2.82Å; R43-D63 IonicContact NH2-OD1 3.96Å; R43-D63 IonicContact NH2-OD2 2.95Å; R43-D63 PolarHBondContact NH2-OD2 3.18Å; W44-D63 HydrophobicContact CE3-CB 4.06Å; W44-D63 HydrophobicContact CH2-CB 4.36Å; W44-D63 WeakPolarHBondContact CH2-OD2 3.28Å; W44-D63 HydrophobicContact CZ3-CB 3.54Å; W44-D63 WeakPolarHBondContact CZ3-OD2 3.28Å; D63-V65 PolarHBondContact O-N 2.84Å; D63-V65 VanDerWaalsContact OD1-CB 3.28Å; D63-V65 WeakPolarHBondContact OD1-CB 3.16Å; D63-V65 WeakPolarHBondContact OD1-CG2 3.04Å; D63-V65 PolarHBondContact OD1-N 3.08Å; D63-D66 WeakPolarHBondContact CB-OD1 3.44Å; D63-G67 WeakPolarHBondContact O-CA 3.49Å; D63-G67 PolarHBondContact O-N 2.86Å; D63-T68 PolarHBondContact N-O 3.29Å
64L94.6Very high92.6Very high93 Ų9337.9 Ų37.949%0.48724%0.238SC..THydrogen-bonded Turntrans-72.3-8.3177.5-65.3179.1000113.1V39 R43 K45 A62V39-L64 HydrophobicContact CG1-CD1 3.55Å; V39-L64 HydrophobicContact CG2-CD1 4.13Å; R43-L64 WeakPolarHBondContact O-CB 3.16Å; R43-L64 VanDerWaalsContact O-CG 3.24Å; R43-L64 WeakPolarHBondContact O-CG 3.44Å; R43-L64 PolarHBondContact O-N 2.81Å; K45-L64 HydrophobicContact CB-CD1 4.31Å; K45-L64 HydrophobicContact CB-CD2 3.92Å; K45-L64 HydrophobicContact CB-CG 4.1Å; K45-L64 HydrophobicContact CD-CD2 4.24Å; A62-L64 PolarHBondContact O-N 3.24Å
65V92.1Very high93.3Very high111 Ų11134 Ų3467%0.67320%0.197SC*.THydrogen-bonded Turntrans-77.7-47.1176.8177.50000111.5R43 D63R43-V65 HydrophobicContact CG-CG2 4.08Å; D63-V65 PolarHBondContact O-N 2.84Å; D63-V65 VanDerWaalsContact OD1-CB 3.28Å; D63-V65 WeakPolarHBondContact OD1-CB 3.16Å; D63-V65 WeakPolarHBondContact OD1-CG2 3.04Å; D63-V65 PolarHBondContact OD1-N 3.08Å
66D89.6Confident93.9Very high103 Ų10335.1 Ų35.155%0.55120%0.203SC*.THydrogen-bonded Turntrans-131.4-2-172.864.214.7000114.5D63 T68D63-D66 WeakPolarHBondContact CB-OD1 3.44Å; D66-T68 VanDerWaalsContact C-N 3.3Å; D66-T68 WeakPolarHBondContact OD1-CB 3.47Å; D66-T68 PolarHBondContact OD1-N 2.82Å; D66-T68 PolarHBondContact OD1-OG1 3.39Å; D66-T68 PolarHBondContact OD2-OG1 3.29Å
67G88.5Confident93.7Very high49 Ų4938.9 Ų38.951%0.50522%0.215SC..  trans83.1-0.6-179.200000114.6D63D63-G67 WeakPolarHBondContact O-CA 3.49Å; D63-G67 PolarHBondContact O-N 2.86Å
68T89.8Confident93.2Very high60 Ų6041.1 Ų41.137%0.36825%0.247SC..  trans-57.8139.4-179.6-59.50000111D63 D66 V70D63-T68 PolarHBondContact N-O 3.29Å; D66-T68 VanDerWaalsContact C-N 3.3Å; D66-T68 WeakPolarHBondContact OD1-CB 3.47Å; D66-T68 PolarHBondContact OD1-N 2.82Å; D66-T68 PolarHBondContact OD1-OG1 3.39Å; D66-T68 PolarHBondContact OD2-OG1 3.29Å; T68-V70 HydrophobicContact CG2-CG1 4.27Å
69R93.1Very high92.7Very high57 Ų5743.1 Ų43.122%0.21526%0.255CS..EExtended strand (participates in β ladder)trans-94.2130.1178.4-59.4-67.4-66.2176.1-9.2109.9V47 E60 A61 A62 L148 Y370V47-R69 VanDerWaalsContact CB-NH1 3.34Å; E60-R69 IonicContact OE1-CZ 3.52Å; E60-R69 IonicContact OE1-NE 3.94Å; E60-R69 PolarHBondContact OE1-NE 3.48Å; E60-R69 IonicContact OE1-NH2 3.2Å; E60-R69 PolarHBondContact OE1-NH2 3.22Å; E60-R69 IonicContact OE2-NH2 3.88Å; A61-R69 WeakPolarHBondContact O-CA 3.28Å; A62-R69 VanDerWaalsContact N-NH1 3.18Å; R69-L148 HydrophobicContact CB-CD2 3.86Å; R69-Y370 HydrophobicContact CB-CD1 3.85Å; R69-Y370 HydrophobicContact CB-CE1 3.56Å; R69-Y370 HydrophobicContact CG-CD1 3.89Å; R69-Y370 HydrophobicContact CG-CE1 3.63Å
70V93.8Very high91.9Very high1 Ų152.1 Ų52.11%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-132.1159.1-172.6-57.70000110.3W44 E60 A61 T68 Y133 V145W44-V70 HydrophobicContact CE3-CG2 3.79Å; W44-V70 HydrophobicContact CZ3-CG1 3.94Å; W44-V70 HydrophobicContact CZ3-CG2 3.86Å; E60-V70 WeakPolarHBondContact CA-O 3.46Å; A61-V70 HydrophobicContact CB-CG2 3.83Å; A61-V70 PolarHBondContact N-O 3.36Å; A61-V70 PolarHBondContact O-N 2.98Å; T68-V70 HydrophobicContact CG2-CG1 4.27Å; V70-Y133 HydrophobicContact CB-CD2 4.21Å; V70-Y133 HydrophobicContact CB-CE2 4.35Å; V70-Y133 HydrophobicContact CG1-CD2 3.65Å; V70-Y133 HydrophobicContact CG1-CE2 3.67Å; V70-V145 HydrophobicContact CB-CG1 3.79Å; V70-V145 HydrophobicContact CG1-CG1 4.28Å; V70-V145 HydrophobicContact CG2-CG1 3.46Å; V70-V145 VanDerWaalsContact CG2-CG1 3.46Å
71A96Very high91.3Very high9 Ų956.8 Ų56.87%0.07433%0.331CS..EExtended strand (participates in β ladder)trans-94.1128.3166.900000109V58 Y59 I146 L148V58-A71 HydrophobicContact CG1-CB 4.38Å; Y59-A71 CarbonylContact O-C 3.59Å; Y59-A71 WeakPolarHBondContact O-CA 3.15Å; A71-I146 HydrophobicContact CB-CG1 3.97Å; A71-I146 PolarHBondContact N-O 2.81Å; A71-I146 PolarHBondContact O-N 3.35Å; A71-L148 HydrophobicContact CB-CD1 4.05Å
72L96.6Very high91Very high0 Ų057.4 Ų57.40%034%0.335CS..EExtended strand (participates in β ladder)trans-115.1110.6177.6-169.4151.2000108.7L40 W44 L46 V58 Y59 A61 I74 F143 I144 V145L40-L72 HydrophobicContact CD1-CD1 3.86Å; L40-L72 HydrophobicContact CD1-CD2 3.92Å; W44-L72 HydrophobicContact CB-CD1 3.79Å; W44-L72 HydrophobicContact CG-CD1 4.34Å; L46-L72 HydrophobicContact CD2-CB 4.39Å; L46-L72 HydrophobicContact CD2-CD1 3.92Å; L46-L72 HydrophobicContact CD2-CD2 4.03Å; L46-L72 HydrophobicContact CD2-CG 4.33Å; V58-L72 CarbonylContact C-O 3.59Å; V58-L72 WeakPolarHBondContact CA-O 3.21Å; Y59-L72 PolarHBondContact N-O 3.46Å; Y59-L72 PolarHBondContact O-N 2.92Å; A61-L72 HydrophobicContact CB-CB 4.14Å; A61-L72 HydrophobicContact CB-CD1 4.43Å; L72-I74 HydrophobicContact CD2-CB 4.12Å; L72-F143 HydrophobicContact CD1-CD2 3.98Å; L72-F143 HydrophobicContact CD1-CE2 4.33Å; L72-F143 HydrophobicContact CD2-CB 3.79Å; L72-F143 HydrophobicContact CD2-CD2 4.27Å; L72-F143 HydrophobicContact CD2-CG 4.2Å; L72-F143 HydrophobicContact CG-CB 4.39Å; L72-F143 HydrophobicContact CG-CD2 4.1Å; L72-I144 WeakPolarHBondContact CA-O 3.13Å; L72-V145 HydrophobicContact CD1-CG2 3.9Å; L72-V145 HydrophobicContact CG-CG2 4.16Å
73K95.9Very high90.8Very high16 Ų1656.8 Ų56.87%0.0733%0.33CS..EExtended strand (participates in β ladder)trans-97.1129177-172.9172.2-174.6174.20109.1E57 V58 L84 E87 F143 I144 D215E57-K73 CarbonylContact O-C 3.5Å; E57-K73 WeakPolarHBondContact O-CA 3.38Å; V58-K73 HydrophobicContact CG2-CB 4.25Å; V58-K73 HydrophobicContact CG2-CD 4.22Å; V58-K73 HydrophobicContact CG2-CG 3.92Å; K73-L84 HydrophobicContact CB-CD2 4.18Å; K73-L84 HydrophobicContact CD-CD2 3.76Å; K73-L84 HydrophobicContact CG-CD2 3.77Å; K73-E87 IonicContact NZ-OE1 2.89Å; K73-E87 PolarHBondContact NZ-OE1 2.83Å; K73-E87 IonicContact NZ-OE2 3.53Å; K73-F143 CarbonylContact O-C 3.58Å; K73-F143 WeakPolarHBondContact O-CA 3.5Å; K73-F143 WeakPolarHBondContact O-CB 3.48Å; K73-I144 HydrophobicContact CB-CD1 4.41Å; K73-I144 HydrophobicContact CB-CG1 3.9Å; K73-I144 PolarHBondContact N-O 2.88Å; K73-I144 PolarHBondContact O-N 2.98Å; K73-D215 IonicContact NZ-OD1 2.94Å; K73-D215 PolarHBondContact NZ-OD1 3.46Å
74I95.1Very high90.6Very high0 Ų056.5 Ų56.50%033%0.328CS..EExtended strand (participates in β ladder)trans-128.4140.5-173.5-169.4168.2000111I33 C34 L40 G56 E57 Y59 L72 A141 V142 F143I33-I74 HydrophobicContact CB-CG2 4.4Å; I33-I74 HydrophobicContact CD1-CG2 4.38Å; I33-I74 HydrophobicContact CG2-CD1 3.77Å; I33-I74 HydrophobicContact CG2-CG1 3.9Å; C34-I74 HydrophobicContact CB-CD1 4.12Å; C34-I74 WeakPolarHBondContact SG-CD1 3.26Å; L40-I74 HydrophobicContact CD1-CD1 4.46Å; G56-I74 CarbonylContact C-O 3.5Å; G56-I74 VanDerWaalsContact CA-O 3.28Å; G56-I74 WeakPolarHBondContact CA-O 3.17Å; E57-I74 HydrophobicContact CB-CG2 3.79Å; E57-I74 PolarHBondContact N-O 3.38Å; E57-I74 PolarHBondContact O-N 3.09Å; Y59-I74 HydrophobicContact CD2-CG2 3.96Å; Y59-I74 HydrophobicContact CE2-CG2 3.59Å; L72-I74 HydrophobicContact CD2-CB 4.12Å; I74-A141 HydrophobicContact CD1-CB 3.63Å; I74-A141 HydrophobicContact CG1-CB 3.65Å; I74-V142 WeakPolarHBondContact CA-O 3.45Å; I74-V142 WeakPolarHBondContact CG1-O 3.48Å; I74-F143 HydrophobicContact CB-CB 4.1Å; I74-F143 HydrophobicContact CG1-CB 4.09Å
75E93.7Very high90.4Very high4 Ų456.1 Ų56.12%0.01933%0.327CS..EExtended strand (participates in β ladder)trans-132.1144.7179.2-171-173.4105.500108.9I79 S82 A83 L84 A141 V142E75-I79 HydrophobicContact CG-CD1 3.5Å; E75-I79 VanDerWaalsContact CG-CD1 3.5Å; E75-I79 HydrophobicContact CG-CG1 4.46Å; E75-S82 VanDerWaalsContact CD-OG 3.25Å; E75-S82 VanDerWaalsContact OE1-CA 3.25Å; E75-S82 WeakPolarHBondContact OE1-CA 3.42Å; E75-S82 WeakPolarHBondContact OE1-CB 3.34Å; E75-S82 PolarHBondContact OE1-OG 2.95Å; E75-S82 PolarHBondContact OE2-OG 3.17Å; E75-A83 PolarHBondContact OE2-N 2.87Å; E75-L84 HydrophobicContact CB-CB 4.49Å; E75-L84 HydrophobicContact CB-CD1 3.52Å; E75-L84 HydrophobicContact CB-CG 3.89Å; E75-L84 PolarHBondContact OE2-N 3.43Å; E75-A141 CarbonylContact O-C 3.39Å; E75-A141 VanDerWaalsContact O-CA 3.24Å; E75-A141 WeakPolarHBondContact O-CA 3.49Å; E75-A141 WeakPolarHBondContact O-CB 3.26Å; E75-V142 HydrophobicContact CB-CG2 4.1Å; E75-V142 PolarHBondContact N-O 3.18Å; E75-V142 PolarHBondContact O-N 3.22Å
76Q92.3Very high90.3Very high115 Ų11553 Ų5354%0.53731%0.308SS..EExtended strand (participates in β ladder)trans-63.1141.9174.7-66.6-178.26.400110.5I33 I79I33-Q76 HydrophobicContact CD1-CG 3.88Å; I33-Q76 HydrophobicContact CG1-CG 3.85Å; I33-Q76 HydrophobicContact CG2-CG 4.34Å; Q76-I79 HydrophobicContact CB-CD1 4.49Å; Q76-I79 WeakPolarHBondContact O-CG1 3.28Å
77K87.7Confident90.5Very high94 Ų9448.1 Ų48.141%0.40928%0.282SS..THydrogen-bonded Turntrans-73.2144.6178.9-164.8174.4-175.9177.50110.1T140 V142K77-T140 WeakPolarHBondContact CB-O 3.46Å; K77-T140 PolarHBondContact N-O 3.47Å; K77-V142 HydrophobicContact CG-CG1 4.45Å
78G83.9Confident90.6Very high79 Ų7946.4 Ų46.481%0.81426%0.261SS*.THydrogen-bonded Turntrans92.38.4177.500000115.2E80G78-E80 PolarHBondContact O-N 3.3Å
79I84.2Confident90.6Very high80 Ų8046 Ų4641%0.4126%0.261SS..  trans-70121.6170.7-61.8-173.3000109.5E75 Q76 S81E75-I79 HydrophobicContact CG-CD1 3.5Å; E75-I79 VanDerWaalsContact CG-CD1 3.5Å; E75-I79 HydrophobicContact CG-CG1 4.46Å; Q76-I79 HydrophobicContact CB-CD1 4.49Å; Q76-I79 WeakPolarHBondContact O-CG1 3.28Å; I79-S81 VanDerWaalsContact C-N 3.25Å; I79-S81 PolarHBondContact O-N 3.15Å
80E80.8Confident90.5Very high195 Ų19543.3 Ų43.391%0.91125%0.251SS*.THydrogen-bonded Turntrans-60.5-31.1-175.2-173.3-178.5-176.800113.7G78G78-E80 PolarHBondContact O-N 3.3Å
81S83Confident90.3Very high105 Ų10543.4 Ų43.473%0.73425%0.251SS*.THydrogen-bonded Turntrans-126.471.3177.5-67.30000109.8I79 A83I79-S81 VanDerWaalsContact C-N 3.25Å; I79-S81 PolarHBondContact O-N 3.15Å; S81-A83 PolarHBondContact O-N 3.2Å
82S89.4Confident89.7Confident12 Ų1243.7 Ų43.78%0.08425%0.253CS..  trans-59.2126.5-178-177.50000111.6E75 L84 D85E75-S82 VanDerWaalsContact CD-OG 3.25Å; E75-S82 VanDerWaalsContact OE1-CA 3.25Å; E75-S82 WeakPolarHBondContact OE1-CA 3.42Å; E75-S82 WeakPolarHBondContact OE1-CB 3.34Å; E75-S82 PolarHBondContact OE1-OG 2.95Å; E75-S82 PolarHBondContact OE2-OG 3.17Å; S82-L84 VanDerWaalsContact C-N 3.34Å; S82-L84 PolarHBondContact OG-N 2.83Å; S82-D85 WeakPolarHBondContact CB-OD2 3.4Å; S82-D85 PolarHBondContact OG-N 2.96Å
83A91.4Very high89.1Confident3 Ų347.1 Ų47.13%0.02527%0.273CS..Hα-helixtrans-72.5-36.3172.400000109.9F55 E75 S81 D85 V86 E87F55-A83 HydrophobicContact CB-CB 4.05Å; F55-A83 HydrophobicContact CD1-CB 3.58Å; F55-A83 HydrophobicContact CE1-CB 4.33Å; F55-A83 HydrophobicContact CG-CB 4.05Å; E75-A83 PolarHBondContact OE2-N 2.87Å; S81-A83 PolarHBondContact O-N 3.2Å; A83-D85 VanDerWaalsContact C-N 3.33Å; A83-D85 PolarHBondContact O-N 3.34Å; A83-V86 WeakPolarHBondContact O-CB 3.16Å; A83-V86 PolarHBondContact O-N 2.98Å; A83-V86 VanDerWaalsContact O-N 3.15Å; A83-E87 WeakPolarHBondContact O-CG 3.31Å; A83-E87 PolarHBondContact O-N 3.45Å
84L91.3Very high88.4Confident0 Ų047.9 Ų47.90%028%0.277CS..Hα-helixtrans-62.9-34.2177.2-78.9-170.9000113.6K73 E75 S82 V86 E87 L88 V142 I144K73-L84 HydrophobicContact CB-CD2 4.18Å; K73-L84 HydrophobicContact CD-CD2 3.76Å; K73-L84 HydrophobicContact CG-CD2 3.77Å; E75-L84 HydrophobicContact CB-CB 4.49Å; E75-L84 HydrophobicContact CB-CD1 3.52Å; E75-L84 HydrophobicContact CB-CG 3.89Å; E75-L84 PolarHBondContact OE2-N 3.43Å; S82-L84 VanDerWaalsContact C-N 3.34Å; S82-L84 PolarHBondContact OG-N 2.83Å; L84-V86 VanDerWaalsContact C-N 3.31Å; L84-V86 PolarHBondContact O-N 3.48Å; L84-E87 PolarHBondContact O-N 2.97Å; L84-L88 WeakPolarHBondContact O-CB 3.35Å; L84-L88 PolarHBondContact O-N 3.28Å; L84-V142 HydrophobicContact CD1-CG2 4.18Å; L84-V142 WeakPolarHBondContact CD1-O 2.93Å; L84-I144 HydrophobicContact CD2-CD1 3.71Å; L84-I144 HydrophobicContact CD2-CG1 3.73Å; L84-I144 HydrophobicContact CD2-CG2 4.47Å
85D89.9Confident87.3Confident85 Ų8549 Ų4946%0.45529%0.286SS..Hα-helixtrans-64.2-37.4173.8-73.9-18.1000112.1S82 A83 S89S82-D85 WeakPolarHBondContact CB-OD2 3.4Å; S82-D85 PolarHBondContact OG-N 2.96Å; A83-D85 VanDerWaalsContact C-N 3.33Å; A83-D85 PolarHBondContact O-N 3.34Å; D85-S89 PolarHBondContact O-N 3.05Å; D85-S89 PolarHBondContact O-OG 2.64Å
86V91.5Very high85.6Confident45 Ų4553.3 Ų53.327%0.27331%0.309SS..Hα-helixtrans-66-44.3173.7179.30000110.3A83 L84 S89 V90 F216 C219A83-V86 WeakPolarHBondContact O-CB 3.16Å; A83-V86 PolarHBondContact O-N 2.98Å; A83-V86 VanDerWaalsContact O-N 3.15Å; L84-V86 VanDerWaalsContact C-N 3.31Å; L84-V86 PolarHBondContact O-N 3.48Å; V86-S89 WeakPolarHBondContact O-CB 3.43Å; V86-S89 PolarHBondContact O-N 2.88Å; V86-V90 PolarHBondContact O-N 2.98Å; V86-V90 VanDerWaalsContact O-N 3.11Å; V86-F216 WeakPolarHBondContact CG1-O 3.35Å; V86-C219 HydrophobicContact CG1-CB 3.93Å; V86-C219 WeakPolarHBondContact CG1-O 3.39Å
87E93.3Very high83.4Confident1 Ų151 Ų511%0.00532%0.316CS..Hα-helixtrans-61.5-47.4176.9-63.5-154.8-168.700112.2K73 A83 L84 S89 V90 Y91 I144 F216 G217K73-E87 IonicContact NZ-OE1 2.89Å; K73-E87 PolarHBondContact NZ-OE1 2.83Å; K73-E87 IonicContact NZ-OE2 3.53Å; A83-E87 WeakPolarHBondContact O-CG 3.31Å; A83-E87 PolarHBondContact O-N 3.45Å; L84-E87 PolarHBondContact O-N 2.97Å; E87-S89 PolarHBondContact O-N 3.09Å; E87-V90 PolarHBondContact O-N 3.2Å; E87-Y91 HydrophobicContact CB-CD2 4.23Å; E87-Y91 HydrophobicContact CB-CE2 4.25Å; E87-Y91 VanDerWaalsContact O-CD2 3.24Å; E87-Y91 WeakPolarHBondContact O-CD2 3.18Å; E87-Y91 PolarHBondContact O-N 3.3Å; E87-I144 HydrophobicContact CB-CD1 4.11Å; E87-F216 HydrophobicContact CB-CB 4.4Å; E87-F216 HydrophobicContact CG-CB 3.93Å; E87-F216 PolarHBondContact OE1-N 2.81Å; E87-G217 VanDerWaalsContact CG-N 3.28Å; E87-G217 PolarHBondContact OE1-N 3.44Å
88L90.2Very high81.4Confident13 Ų1350.7 Ų50.77%0.06832%0.319CS..Hα-helixtrans-58.1-39.2178-173.163.8000110.8L84 V90 S92 L99 L111 M113 F132 Y135 I144L84-L88 WeakPolarHBondContact O-CB 3.35Å; L84-L88 PolarHBondContact O-N 3.28Å; L88-V90 PolarHBondContact O-N 3.3Å; L88-S92 VanDerWaalsContact O-CB 3.22Å; L88-S92 WeakPolarHBondContact O-CB 3.06Å; L88-S92 PolarHBondContact O-N 2.96Å; L88-S92 PolarHBondContact O-OG 2.74Å; L88-L99 HydrophobicContact CD1-CD2 3.93Å; L88-L99 HydrophobicContact CG-CD2 4.31Å; L88-L111 HydrophobicContact CD2-CD2 4.16Å; L88-M113 HydrophobicContact CD1-CE 4.36Å; L88-F132 HydrophobicContact CD1-CE2 3.62Å; L88-F132 HydrophobicContact CD1-CZ 3.62Å; L88-Y135 HydrophobicContact CD1-CD2 4.45Å; L88-Y135 HydrophobicContact CD1-CG 4.46Å; L88-Y135 HydrophobicContact CD2-CD2 3.99Å; L88-Y135 HydrophobicContact CD2-CE2 4.14Å; L88-Y135 HydrophobicContact CD2-CG 4.18Å; L88-I144 HydrophobicContact CD1-CG2 4.33Å
89S88.7Confident79.6Confident52 Ų5248.4 Ų48.436%0.36429%0.287SS..Hα-helixtrans-61.7-41.4174.6-59.20000112.2D85 V86 E87 S92D85-S89 PolarHBondContact O-N 3.05Å; D85-S89 PolarHBondContact O-OG 2.64Å; V86-S89 WeakPolarHBondContact O-CB 3.43Å; V86-S89 PolarHBondContact O-N 2.88Å; E87-S89 PolarHBondContact O-N 3.09Å; S89-S92 PolarHBondContact O-OG 2.66Å
90V91.1Very high77.7Confident1 Ų151.3 Ų51.31%0.00630%0.297CS..Hα-helixtrans-69.8-49.7177.5176.10000111.1V86 E87 L88 S92 V93 F94 L184 Y189 F216 C219V86-V90 PolarHBondContact O-N 2.98Å; V86-V90 VanDerWaalsContact O-N 3.11Å; E87-V90 PolarHBondContact O-N 3.2Å; L88-V90 PolarHBondContact O-N 3.3Å; V90-S92 PolarHBondContact O-N 2.8Å; V90-V93 PolarHBondContact O-N 2.97Å; V90-V93 VanDerWaalsContact O-N 3.09Å; V90-F94 HydrophobicContact CG1-CD2 4.11Å; V90-F94 HydrophobicContact CG1-CE2 3.83Å; V90-F94 WeakPolarHBondContact O-CD2 3.48Å; V90-L184 HydrophobicContact CG1-CD1 3.85Å; V90-Y189 HydrophobicContact CG2-CD1 3.59Å; V90-Y189 HydrophobicContact CG2-CE1 3.81Å; V90-Y189 HydrophobicContact CG2-CG 4.02Å; V90-F216 HydrophobicContact CB-CB 4.13Å; V90-F216 HydrophobicContact CB-CD2 4.38Å; V90-F216 HydrophobicContact CB-CG 4.19Å; V90-F216 HydrophobicContact CG1-CB 4.26Å; V90-F216 HydrophobicContact CG1-CD1 4Å; V90-F216 HydrophobicContact CG1-CD2 3.95Å; V90-F216 HydrophobicContact CG1-CE1 4.32Å; V90-F216 HydrophobicContact CG1-CE2 4.29Å; V90-F216 HydrophobicContact CG1-CG 3.8Å; V90-F216 HydrophobicContact CG1-CZ 4.45Å; V90-F216 HydrophobicContact CG2-CB 4.16Å; V90-C219 HydrophobicContact CG2-CB 3.75Å
91Y89.9Confident75.5Confident2 Ų251 Ų511%0.00829%0.293CS..Hα-helixtrans-58.5-35.4176.7-77.9-64.6000112E87 V93 F94 A95 C129 P130 F132 I144 I146 F216E87-Y91 HydrophobicContact CB-CD2 4.23Å; E87-Y91 HydrophobicContact CB-CE2 4.25Å; E87-Y91 VanDerWaalsContact O-CD2 3.24Å; E87-Y91 WeakPolarHBondContact O-CD2 3.18Å; E87-Y91 PolarHBondContact O-N 3.3Å; Y91-V93 PolarHBondContact O-N 3.45Å; Y91-F94 PolarHBondContact O-N 2.62Å; Y91-F94 VanDerWaalsContact O-N 3.12Å; Y91-A95 VanDerWaalsContact O-CB 3.24Å; Y91-A95 WeakPolarHBondContact O-CB 3.4Å; Y91-A95 PolarHBondContact O-N 3.41Å; Y91-C129 VanDerWaalsContact CE1-SG 3.51Å; Y91-P130 HydrophobicContact CE1-CB 4.18Å; Y91-P130 VanDerWaalsContact CE1-O 3.25Å; Y91-P130 WeakPolarHBondContact CE1-O 3.22Å; Y91-F132 HydrophobicContact CD1-CB 4.08Å; Y91-F132 HydrophobicContact CD2-CD2 4.37Å; Y91-F132 HydrophobicContact CG-CB 4.26Å; Y91-F132 HydrophobicContact CG-CD2 4.08Å; Y91-I144 HydrophobicContact CD2-CD1 4.2Å; Y91-I144 HydrophobicContact CE2-CD1 3.85Å; Y91-I146 HydrophobicContact CD2-CG2 4.44Å; Y91-I146 HydrophobicContact CE1-CG2 4.16Å; Y91-I146 HydrophobicContact CE2-CG2 3.94Å; Y91-I146 VanDerWaalsContact OH-CD1 3.28Å; Y91-I146 WeakPolarHBondContact OH-CD1 3.4Å; Y91-F216 HydrophobicContact CD1-CE2 4.44Å; Y91-F216 HydrophobicContact CD2-CD2 4.34Å; Y91-F216 HydrophobicContact CE1-CD2 4.24Å; Y91-F216 AromaticContact CE1-CE2 3.78Å; Y91-F216 HydrophobicContact CE1-CE2 3.78Å; Y91-F216 AromaticContact CE2-CD2 3.79Å; Y91-F216 HydrophobicContact CE2-CD2 3.79Å; Y91-F216 HydrophobicContact CE2-CE2 4.16Å; Y91-F216 AromaticContact CZ-CD2 3.72Å; Y91-F216 AromaticContact CZ-CE2 3.61Å
92S83.8Confident73.2Confident16 Ų1651.6 Ų51.611%0.11229%0.287CS..Hα-helixtrans-63.1-24.9178.277.60000114.5L88 S89 V90L88-S92 VanDerWaalsContact O-CB 3.22Å; L88-S92 WeakPolarHBondContact O-CB 3.06Å; L88-S92 PolarHBondContact O-N 2.96Å; L88-S92 PolarHBondContact O-OG 2.74Å; S89-S92 PolarHBondContact O-OG 2.66Å; V90-S92 PolarHBondContact O-N 2.8Å
93V83.3Confident70.6Confident72 Ų7254.2 Ų54.244%0.43631%0.309SS..Hα-helixtrans-80.2-30.2177178.50000111.3V90 Y91 A187 Y189V90-V93 PolarHBondContact O-N 2.97Å; V90-V93 VanDerWaalsContact O-N 3.09Å; Y91-V93 PolarHBondContact O-N 3.45Å; V93-A187 HydrophobicContact CG1-CB 3.79Å; V93-Y189 HydrophobicContact CG2-CE2 3.96Å
94F82.4Confident67.9Low32 Ų3259.4 Ų59.414%0.1434%0.341CS..Hα-helixtrans-93.5-20.7178.9-64.4-58.7000114.2V90 Y91 D96 C129 E183 L184 A187V90-F94 HydrophobicContact CG1-CD2 4.11Å; V90-F94 HydrophobicContact CG1-CE2 3.83Å; V90-F94 WeakPolarHBondContact O-CD2 3.48Å; Y91-F94 PolarHBondContact O-N 2.62Å; Y91-F94 VanDerWaalsContact O-N 3.12Å; F94-D96 PolarHBondContact O-N 2.98Å; F94-C129 HydrophobicContact CD2-CB 4.18Å; F94-C129 HydrophobicContact CG-CB 4.35Å; F94-E183 HydrophobicContact CE1-CG 3.81Å; F94-E183 HydrophobicContact CZ-CG 4.39Å; F94-L184 HydrophobicContact CE2-CD1 3.9Å; F94-L184 HydrophobicContact CZ-CD1 4.15Å; F94-A187 HydrophobicContact CE1-CB 3.9Å; F94-A187 HydrophobicContact CE2-CB 4.48Å; F94-A187 HydrophobicContact CZ-CB 3.66Å
95A70.7Confident65Low23 Ų2365.5 Ų65.519%0.1938%0.384CS..SBendtrans-83.7103174.100000109.1Y91 G97 L99 F132Y91-A95 VanDerWaalsContact O-CB 3.24Å; Y91-A95 WeakPolarHBondContact O-CB 3.4Å; Y91-A95 PolarHBondContact O-N 3.41Å; A95-G97 PolarHBondContact O-N 2.94Å; A95-L99 HydrophobicContact CB-CD1 3.99Å; A95-F132 HydrophobicContact CB-CB 4.47Å
96D58.7Low62.6Low95 Ų9564.6 Ų64.651%0.50838%0.379SS..THydrogen-bonded Turntrans-38.4102.6179.2-83.4-18.3000113.8F94 L98 C123F94-D96 PolarHBondContact O-N 2.98Å; D96-L98 PolarHBondContact O-N 3.41Å; D96-C123 WeakPolarHBondContact OD2-CB 3.15Å; D96-C123 VanDerWaalsContact OD2-O 3.1Å
97G47Very low60.2Low67 Ų6769.1 Ų69.169%0.69141%0.409SS*.THydrogen-bonded Turntrans57-7156.800000119.4A95A95-G97 PolarHBondContact O-N 2.94Å
98L44.4Very low57.5Low87 Ų8773.6 Ų73.646%0.45544%0.44SS..THydrogen-bonded Turntrans-84.7-23.8-170.4-13884.4000112.4D96 C116 V120D96-L98 PolarHBondContact O-N 3.41Å; L98-C116 HydrophobicContact CD2-CB 4.37Å; L98-V120 HydrophobicContact CD1-CG2 4.45Å
99L46.6Very low54.8Low30 Ų3079.1 Ų79.116%0.15747%0.466CS..SBendtrans-80.9-25.3-174.2-105.4115.9000114.6L88 A95 M113 F132L88-L99 HydrophobicContact CD1-CD2 3.93Å; L88-L99 HydrophobicContact CG-CD2 4.31Å; A95-L99 HydrophobicContact CB-CD1 3.99Å; L99-M113 HydrophobicContact CD1-CE 4.47Å; L99-M113 HydrophobicContact CD2-CE 3.36Å; L99-M113 HydrophobicContact CD2-SD 3.43Å; L99-M113 WeakPolarHBondContact CD2-SD 3.41Å; L99-M113 HydrophobicContact CG-CE 3.75Å; L99-M113 HydrophobicContact CG-SD 3.86Å; L99-F132 HydrophobicContact CD1-CD1 3.88Å; L99-F132 HydrophobicContact CD1-CE1 3.73Å; L99-F132 HydrophobicContact CD1-CZ 4.48Å
100F43.7Very low52.5Low142 Ų14284 Ų8462%0.62348%0.482SS*.SBendtrans-101.4-1-162.9-105.7-84.9000117.2L102 A103F100-L102 VanDerWaalsContact C-N 3.27Å; F100-L102 PolarHBondContact O-N 2.82Å; F100-A103 HydrophobicContact CD1-CB 4.31Å; F100-A103 HydrophobicContact CE1-CB 4.34Å
101K34.9Very low49.9Very low189 Ų18989.2 Ų89.282%0.82251%0.51SS*.THydrogen-bonded Turntrans-79.36.5-179.6-83.9-171178.6178.70116.1
102L35.7Very low47.3Very low116 Ų11697.6 Ų97.661%0.60755%0.546SS*.THydrogen-bonded Turntrans-124.70.1176.9-69.6169.4000115.1F100 T104 K112F100-L102 VanDerWaalsContact C-N 3.27Å; F100-L102 PolarHBondContact O-N 2.82Å; L102-T104 PolarHBondContact O-N 2.82Å; L102-K112 WeakPolarHBondContact CD1-O 3.32Å
103A34.6Very low45.3Very low67 Ų6799.4 Ų99.455%0.55455%0.554SS**  trans-83.566.5171.100000110.5F100F100-A103 HydrophobicContact CD1-CB 4.31Å; F100-A103 HydrophobicContact CE1-CB 4.34Å
104T33.3Very low43Very low113 Ų11398.5 Ų98.569%0.69356%0.559SS**  trans-133.9119169.555.40000112.2L102L102-T104 PolarHBondContact O-N 2.82Å
105S32.3Very low40.9Very low127 Ų127101.5 Ų101.589%0.88857%0.572SS**SBendtrans91.9-5.3153.466.90000123.2
106D37.7Very low39.3Very low67 Ų67103.9 Ų103.936%0.35859%0.587SS.*  trans-139106.1176-167.7-6000114.2S108 Q109D106-S108 VanDerWaalsContact CG-OG 3.24Å; D106-S108 PolarHBondContact O-N 2.92Å; D106-S108 WeakPolarHBondContact OD1-CB 3.34Å; D106-S108 PolarHBondContact OD1-N 2.93Å; D106-S108 PolarHBondContact OD1-OG 2.64Å; D106-S108 PolarHBondContact OD2-OG 2.81Å; D106-Q109 HydrophobicContact CB-CB 4.48Å; D106-Q109 HydrophobicContact CB-CG 4.34Å; D106-Q109 PolarHBondContact O-N 3.03Å; D106-Q109 WeakPolarHBondContact OD2-CG 3.24Å; D106-Q109 PolarHBondContact OD2-NE2 2.99Å
107P41.1Very low38.1Very low140 Ų140103.9 Ų103.991%0.90959%0.594SS**THydrogen-bonded Turntrans-64.5-13.4174.5-18.631000114.7
108S37.7Very low37.6Very low94 Ų94108.5 Ų108.566%0.65760%0.595SS**THydrogen-bonded Turntrans-93.7-5.9-177.971.10000113.9D106D106-S108 VanDerWaalsContact CG-OG 3.24Å; D106-S108 PolarHBondContact O-N 2.92Å; D106-S108 WeakPolarHBondContact OD1-CB 3.34Å; D106-S108 PolarHBondContact OD1-N 2.93Å; D106-S108 PolarHBondContact OD1-OG 2.64Å; D106-S108 PolarHBondContact OD2-OG 2.81Å
109Q34.1Very low36.9Very low130 Ų130113.8 Ų113.861%0.60762%0.617SS**SBendtrans-97.1115.5174.9-72.8-17945.400110.5D106 L111D106-Q109 HydrophobicContact CB-CB 4.48Å; D106-Q109 HydrophobicContact CB-CG 4.34Å; D106-Q109 PolarHBondContact O-N 3.03Å; D106-Q109 WeakPolarHBondContact OD2-CG 3.24Å; D106-Q109 PolarHBondContact OD2-NE2 2.99Å; Q109-L111 PolarHBondContact O-N 3.16Å
110H39Very low36.4Very low153 Ų153115.8 Ų115.871%0.70863%0.63SS**  trans-47.8133.4169.7-71.668.6000109.6K112H110-K112 PolarHBondContact O-N 2.91Å
111L36.1Very low35.8Very low111 Ų111118.2 Ų118.258%0.58164%0.641SS**  trans-43.594-177.7-139.389.1000111.4L88 Q109 M113L88-L111 HydrophobicContact CD2-CD2 4.16Å; Q109-L111 PolarHBondContact O-N 3.16Å; L111-M113 VanDerWaalsContact C-N 3.29Å; L111-M113 HydrophobicContact CD2-CG 3.65Å; L111-M113 HydrophobicContact CD2-SD 4.23Å; L111-M113 HydrophobicContact CG-CG 4.21Å; L111-M113 PolarHBondContact O-N 2.86Å; L111-M113 VanDerWaalsContact O-N 3.09Å
112K36.8Very low35.8Very low178 Ų178117.2 Ų117.277%0.77463%0.632SS**  trans-84.980.7171.5-82.3-174.1179.3175.90108.1L102 H110 G114L102-K112 WeakPolarHBondContact CD1-O 3.32Å; H110-K112 PolarHBondContact O-N 2.91Å; K112-G114 PolarHBondContact O-N 2.66Å
113M41.9Very low35.9Very low55 Ų55115.8 Ų115.827%0.27163%0.631SS.*  trans-68.1106.3170.5-74.8-103.5-70.100109.9L88 L99 L111 F132 Y135L88-M113 HydrophobicContact CD1-CE 4.36Å; L99-M113 HydrophobicContact CD1-CE 4.47Å; L99-M113 HydrophobicContact CD2-CE 3.36Å; L99-M113 HydrophobicContact CD2-SD 3.43Å; L99-M113 WeakPolarHBondContact CD2-SD 3.41Å; L99-M113 HydrophobicContact CG-CE 3.75Å; L99-M113 HydrophobicContact CG-SD 3.86Å; L111-M113 VanDerWaalsContact C-N 3.29Å; L111-M113 HydrophobicContact CD2-CG 3.65Å; L111-M113 HydrophobicContact CD2-SD 4.23Å; L111-M113 HydrophobicContact CG-CG 4.21Å; L111-M113 PolarHBondContact O-N 2.86Å; L111-M113 VanDerWaalsContact O-N 3.09Å; M113-F132 HydrophobicContact CE-CE1 4.46Å; M113-F132 HydrophobicContact CE-CZ 4.33Å; M113-Y135 HydrophobicContact CG-CD1 4.39Å
114G34.9Very low36.8Very low52 Ų52119.8 Ų119.854%0.53664%0.643SS.*  trans-81.3120.317300000111.1K112K112-G114 PolarHBondContact O-N 2.66Å
115F38.4Very low38.3Very low95 Ų95116 Ų11642%0.41763%0.626SS.*  trans-88.2133.1177-155.3-98.8000110.9Y133F115-Y133 WeakPolarHBondContact CE2-O 3.5Å; F115-Y133 WeakPolarHBondContact CZ-O 3.37Å
116C35.5Very low40.5Very low74 Ų74110.9 Ų110.950%0.559%0.59SS.*  trans-94.896.4167.5-171.20000109.5L98 K118L98-C116 HydrophobicContact CD2-CB 4.37Å; C116-K118 PolarHBondContact O-N 2.71Å
117S35.2Very low42.7Very low94 Ų94114.2 Ų114.266%0.65760%0.602SS**  trans-7536.4-177.3-51.70000115.3
118K34.8Very low45.1Very low165 Ų165109.8 Ų109.872%0.71757%0.567SS**SBendtrans-138102.6-177.1-62.4-173-177.4-178.70112.2C116 V120C116-K118 PolarHBondContact O-N 2.71Å; K118-V120 PolarHBondContact O-N 3.16Å
119H31.6Very low47.6Very low197 Ų197105.7 Ų105.791%0.91254%0.538SS*.  trans40.164.9156-56.9107.6000115.7K121H119-K121 PolarHBondContact O-N 2.85Å
120V35.4Very low50.3Low73 Ų7399.7 Ų99.744%0.44251%0.511SS..  trans-81.4106.2162.3-177.70000106.7L98 K118 W122L98-V120 HydrophobicContact CD1-CG2 4.45Å; K118-V120 PolarHBondContact O-N 3.16Å; V120-W122 PolarHBondContact O-N 2.83Å
121K30.1Very low52.6Low193 Ų19394.4 Ų94.484%0.83949%0.491SS*.  trans-61.7105.2162.1-154.4-178-172.3-174.20105.2H119 C123H119-K121 PolarHBondContact O-N 2.85Å; K121-C123 PolarHBondContact O-N 3.23Å; K121-C123 VanDerWaalsContact O-N 3.09Å
122W36.4Very low55.1Low167 Ų16790 Ų9063%0.63347%0.467SS*.  trans-54.3113.8-176.8-52.390000109.1V120 Y133V120-W122 PolarHBondContact O-N 2.83Å; W122-Y133 HydrophobicContact CH2-CD1 4.24Å; W122-Y133 HydrophobicContact CH2-CE1 4.33Å; W122-Y133 HydrophobicContact CZ2-CD1 4.49Å; W122-Y133 HydrophobicContact CZ2-CE1 4.32Å
123C36.6Very low57.5Low87 Ų8784.2 Ų84.259%0.58844%0.441SS*.  trans-71.9142.9157.6-54.20000105.5D96 K121 G125D96-C123 WeakPolarHBondContact OD2-CB 3.15Å; D96-C123 VanDerWaalsContact OD2-O 3.1Å; K121-C123 PolarHBondContact O-N 3.23Å; K121-C123 VanDerWaalsContact O-N 3.09Å; C123-G125 PolarHBondContact O-N 3.44Å
124D53.2Low59.8Low151 Ų15182 Ų8281%0.80743%0.43SS*.  trans-54.289.4-160.9-66-23.3000113.3
125G66.4Low62.5Low34 Ų3481.1 Ų81.135%0.35141%0.411SS..  trans-58173.4169.500000110.9C123 K127C123-G125 PolarHBondContact O-N 3.44Å; G125-K127 PolarHBondContact O-N 3.01Å
126S77.9Confident64.9Low18 Ų1877 Ų7713%0.12640%0.395CS..  trans-51129.2-177.11640000111.8Y128 C129 E183S126-Y128 PolarHBondContact O-N 3.36Å; S126-Y128 PolarHBondContact OG-N 3.41Å; S126-C129 VanDerWaalsContact OG-CB 3.27Å; S126-C129 WeakPolarHBondContact OG-CB 3.4Å; S126-C129 PolarHBondContact OG-N 3.28Å; S126-E183 WeakPolarHBondContact CA-OE1 3.24Å; S126-E183 WeakPolarHBondContact CB-OE1 3.26Å; S126-E183 WeakPolarHBondContact CB-OE2 3.43Å; S126-E183 PolarHBondContact OG-OE1 3Å; S126-E183 PolarHBondContact OG-OE2 3.35Å
127K83.8Confident67.6Low138 Ų13876.5 Ų76.560%0.639%0.393SS*.THydrogen-bonded Turntrans-69.3-14.6178.8-63.8-177.4-178.6177.10112.6G125G125-K127 PolarHBondContact O-N 3.01Å
128Y91Very high70.2Confident47 Ų4773.5 Ų73.518%0.18437%0.37CS..THydrogen-bonded Turntrans-123.72.9-170.7-50.9-66.8000113.3S126 Q176 C179 A180 E183 L211 F212 L213S126-Y128 PolarHBondContact O-N 3.36Å; S126-Y128 PolarHBondContact OG-N 3.41Å; Y128-Q176 HydrophobicContact CE1-CB 4.38Å; Y128-C179 HydrophobicContact CD2-CB 4.35Å; Y128-C179 HydrophobicContact CE1-CB 4.28Å; Y128-C179 HydrophobicContact CE2-CB 3.5Å; Y128-C179 VanDerWaalsContact CZ-CB 3.45Å; Y128-C179 WeakPolarHBondContact OH-CB 3.41Å; Y128-A180 HydrophobicContact CD1-CB 4.18Å; Y128-A180 HydrophobicContact CD2-CB 4.05Å; Y128-A180 HydrophobicContact CG-CB 3.6Å; Y128-E183 VanDerWaalsContact CD2-OE2 3.3Å; Y128-E183 WeakPolarHBondContact CD2-OE2 3.27Å; Y128-L211 WeakPolarHBondContact CD1-O 3.44Å; Y128-F212 CarbonylContact O-C 3.43Å; Y128-F212 VanDerWaalsContact O-CA 3.27Å; Y128-F212 WeakPolarHBondContact O-CA 3.37Å; Y128-L213 PolarHBondContact O-N 2.97Å
129C90.3Very high72.7Confident8 Ų873 Ų735%0.05438%0.376CS..SBendtrans-113.5134.1176.4-169.40000109.6Y91 F94 S126 S131 F216Y91-C129 VanDerWaalsContact CE1-SG 3.51Å; F94-C129 HydrophobicContact CD2-CB 4.18Å; F94-C129 HydrophobicContact CG-CB 4.35Å; S126-C129 VanDerWaalsContact OG-CB 3.27Å; S126-C129 WeakPolarHBondContact OG-CB 3.4Å; S126-C129 PolarHBondContact OG-N 3.28Å; C129-S131 PolarHBondContact O-N 3.5Å; C129-F216 WeakPolarHBondContact SG-CE2 3.49Å
130P91Very high75.4Confident4 Ų468.1 Ų68.13%0.02636%0.36CS..PPolyproline II helixtrans-54139174.5-29.137000111.4Y91 F132 I146 Q147 L149 F212 L213 F214Y91-P130 HydrophobicContact CE1-CB 4.18Å; Y91-P130 VanDerWaalsContact CE1-O 3.25Å; Y91-P130 WeakPolarHBondContact CE1-O 3.22Å; P130-F132 PolarHBondContact O-N 2.7Å; P130-I146 HydrophobicContact CB-CB 4.44Å; P130-Q147 HydrophobicContact CB-CB 4.04Å; P130-L149 HydrophobicContact CG-CD1 4Å; P130-L149 HydrophobicContact CG-CD2 4.44Å; P130-L149 HydrophobicContact CG-CG 4.44Å; P130-F212 HydrophobicContact CG-CB 4.29Å; P130-L213 WeakPolarHBondContact CD-O 3.36Å; P130-F214 HydrophobicContact CG-CB 4.02Å
131S87.6Confident78.1Confident42 Ų4264.7 Ų64.729%0.29434%0.339SS..PPolyproline II helixtrans-60.3133.3174.3-62.70000110.5C129 I146 Q147C129-S131 PolarHBondContact O-N 3.5Å; S131-I146 CarbonylContact O-C 3.56Å; S131-I146 WeakPolarHBondContact O-CA 3.21Å; S131-Q147 VanDerWaalsContact N-OE1 3.07Å; S131-Q147 PolarHBondContact O-N 2.87Å
132F88.1Confident81.1Confident19 Ų1956.2 Ų56.28%0.08330%0.303CS..EExtended strand (participates in β ladder)trans-89.6130.1174.4176.6-91.6000110.1L88 Y91 A95 L99 M113 P130 D134 I144 I146L88-F132 HydrophobicContact CD1-CE2 3.62Å; L88-F132 HydrophobicContact CD1-CZ 3.62Å; Y91-F132 HydrophobicContact CD1-CB 4.08Å; Y91-F132 HydrophobicContact CD2-CD2 4.37Å; Y91-F132 HydrophobicContact CG-CB 4.26Å; Y91-F132 HydrophobicContact CG-CD2 4.08Å; A95-F132 HydrophobicContact CB-CB 4.47Å; L99-F132 HydrophobicContact CD1-CD1 3.88Å; L99-F132 HydrophobicContact CD1-CE1 3.73Å; L99-F132 HydrophobicContact CD1-CZ 4.48Å; M113-F132 HydrophobicContact CE-CE1 4.46Å; M113-F132 HydrophobicContact CE-CZ 4.33Å; P130-F132 PolarHBondContact O-N 2.7Å; F132-D134 VanDerWaalsContact CE2-O 3.32Å; F132-D134 WeakPolarHBondContact CE2-O 3.44Å; F132-D134 VanDerWaalsContact CZ-O 3.26Å; F132-D134 WeakPolarHBondContact CZ-O 3.43Å; F132-I144 HydrophobicContact CE2-CB 4.15Å; F132-I144 HydrophobicContact CE2-CG2 4.06Å; F132-I146 HydrophobicContact CD2-CG2 4.12Å
133Y88.2Confident83.9Confident55 Ų5548.3 Ų48.322%0.21627%0.273CS..EExtended strand (participates in β ladder)trans-112.5-40.2-175.6-60.8-45.5000114.1V70 F115 W122 V145 Q147V70-Y133 HydrophobicContact CB-CD2 4.21Å; V70-Y133 HydrophobicContact CB-CE2 4.35Å; V70-Y133 HydrophobicContact CG1-CD2 3.65Å; V70-Y133 HydrophobicContact CG1-CE2 3.67Å; F115-Y133 WeakPolarHBondContact CE2-O 3.5Å; F115-Y133 WeakPolarHBondContact CZ-O 3.37Å; W122-Y133 HydrophobicContact CH2-CD1 4.24Å; W122-Y133 HydrophobicContact CH2-CE1 4.33Å; W122-Y133 HydrophobicContact CZ2-CD1 4.49Å; W122-Y133 HydrophobicContact CZ2-CE1 4.32Å; Y133-V145 WeakPolarHBondContact CA-O 3.32Å; Y133-V145 WeakPolarHBondContact CB-O 3.48Å; Y133-V145 HydrophobicContact CD2-CG1 4.26Å; Y133-V145 PolarHBondContact N-O 3.18Å; Y133-Q147 HydrophobicContact CE2-CB 4.26Å
134D90.4Very high86.6Confident10 Ų1044.1 Ų44.15%0.05325%0.245CC..EExtended strand (participates in β ladder)trans-163.3163.7-176.5-158.57000111.9K41 W44 F132 I144 V145K41-D134 WeakPolarHBondContact CE-OD2 3.29Å; K41-D134 IonicContact NZ-OD1 3.86Å; K41-D134 PolarHBondContact NZ-OD1 3.01Å; K41-D134 IonicContact NZ-OD2 3.82Å; K41-D134 PolarHBondContact NZ-OD2 3.44Å; W44-D134 HydrophobicContact CZ2-CB 3.76Å; W44-D134 PolarHBondContact NE1-OD2 2.88Å; F132-D134 VanDerWaalsContact CE2-O 3.32Å; F132-D134 WeakPolarHBondContact CE2-O 3.44Å; F132-D134 VanDerWaalsContact CZ-O 3.26Å; F132-D134 WeakPolarHBondContact CZ-O 3.43Å; D134-I144 CarbonylContact O-C 3.59Å; D134-I144 WeakPolarHBondContact O-CA 3.38Å; D134-V145 HydrophobicContact CB-CB 3.93Å; D134-V145 HydrophobicContact CB-CG2 3.91Å; D134-V145 PolarHBondContact N-O 3.47Å; D134-V145 PolarHBondContact O-N 2.8Å
135Y89.8Confident88.5Confident32 Ų3237 Ų3713%0.12521%0.207CC..EExtended strand (participates in β ladder)trans-135.8150.4167.1165.8-93.5000109.2K41 L88 M113 V142 F143 I144K41-Y135 PolarHBondContact NZ-O 3.26Å; L88-Y135 HydrophobicContact CD1-CD2 4.45Å; L88-Y135 HydrophobicContact CD1-CG 4.46Å; L88-Y135 HydrophobicContact CD2-CD2 3.99Å; L88-Y135 HydrophobicContact CD2-CE2 4.14Å; L88-Y135 HydrophobicContact CD2-CG 4.18Å; M113-Y135 HydrophobicContact CG-CD1 4.39Å; Y135-V142 HydrophobicContact CE2-CB 4.37Å; Y135-F143 WeakPolarHBondContact CA-O 3.46Å; Y135-F143 WeakPolarHBondContact CD2-O 3.41Å; Y135-I144 HydrophobicContact CD2-CG2 3.8Å
136G90.3Very high89.7Confident8 Ų836 Ų368%0.08219%0.194CC..EExtended strand (participates in β ladder)trans-163.3179.8175.500000113.1V142 F143G136-V142 WeakPolarHBondContact O-CA 3.16Å; G136-F143 VanDerWaalsContact C-CE1 3.43Å; G136-F143 PolarHBondContact N-O 3Å; G136-F143 WeakPolarHBondContact O-CD1 3.38Å; G136-F143 PolarHBondContact O-N 3.16Å
137S91.1Very high90.4Very high65 Ų6535.9 Ų35.946%0.45519%0.191SC..EExtended strand (participates in β ladder)trans-142.4149.8174.163.40000109.9A141S137-A141 CarbonylContact C-O 3.59Å; S137-A141 WeakPolarHBondContact CA-O 3.12Å; S137-A141 WeakPolarHBondContact CB-O 3.21Å
138T89.7Confident90.8Very high30 Ų3029.6 Ų29.618%0.18416%0.164CC..  trans-100.3-171.9160.467.60000108.9L40 T140 A141L40-T138 HydrophobicContact CD2-CG2 3.78Å; T138-T140 PolarHBondContact O-N 3.37Å; T138-T140 PolarHBondContact OG1-N 3.44Å; T138-T140 PolarHBondContact OG1-OG1 3.32Å; T138-A141 PolarHBondContact N-O 3.38Å; T138-A141 PolarHBondContact OG1-N 3.47Å
139D87.4Confident90.8Very high156 Ų15628.4 Ų28.483%0.83416%0.161SC*.SBendtrans-64.8-30.7172.2-65.7-28.2000111.7
140T89Confident90.9Very high94 Ų9428.5 Ų28.558%0.57716%0.162SC*.SBendtrans-110.1-14.7-171.254.40000114.3K77 T138K77-T140 WeakPolarHBondContact CB-O 3.46Å; K77-T140 PolarHBondContact N-O 3.47Å; T138-T140 PolarHBondContact O-N 3.37Å; T138-T140 PolarHBondContact OG1-N 3.44Å; T138-T140 PolarHBondContact OG1-OG1 3.32Å
141A92.2Very high90.9Very high0 Ų028.9 Ų28.90%017%0.165CC..EExtended strand (participates in β ladder)trans-146160.3-170.700000113.7I33 I74 E75 S137 T138I33-A141 HydrophobicContact CG2-CB 3.59Å; I74-A141 HydrophobicContact CD1-CB 3.63Å; I74-A141 HydrophobicContact CG1-CB 3.65Å; E75-A141 CarbonylContact O-C 3.39Å; E75-A141 VanDerWaalsContact O-CA 3.24Å; E75-A141 WeakPolarHBondContact O-CA 3.49Å; E75-A141 WeakPolarHBondContact O-CB 3.26Å; S137-A141 CarbonylContact C-O 3.59Å; S137-A141 WeakPolarHBondContact CA-O 3.12Å; S137-A141 WeakPolarHBondContact CB-O 3.21Å; T138-A141 PolarHBondContact N-O 3.38Å; T138-A141 PolarHBondContact OG1-N 3.47Å
142V92.8Very high91.2Very high15 Ų1527.3 Ų27.39%0.09115%0.154CC..EExtended strand (participates in β ladder)trans-118.3146168.1-66.90000108.8I74 E75 K77 L84 Y135 G136I74-V142 WeakPolarHBondContact CA-O 3.45Å; I74-V142 WeakPolarHBondContact CG1-O 3.48Å; E75-V142 HydrophobicContact CB-CG2 4.1Å; E75-V142 PolarHBondContact N-O 3.18Å; E75-V142 PolarHBondContact O-N 3.22Å; K77-V142 HydrophobicContact CG-CG1 4.45Å; L84-V142 HydrophobicContact CD1-CG2 4.18Å; L84-V142 WeakPolarHBondContact CD1-O 2.93Å; Y135-V142 HydrophobicContact CE2-CB 4.37Å; G136-V142 WeakPolarHBondContact O-CA 3.16Å
143F94.3Very high91.6Very high1 Ų126.4 Ų26.40%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-145.2151.6-177.666.1-91.6000113.1L40 K41 L72 K73 I74 Y135 G136 V145L40-F143 HydrophobicContact CB-CE1 4.06Å; L40-F143 HydrophobicContact CB-CE2 4.41Å; L40-F143 HydrophobicContact CB-CZ 3.84Å; L40-F143 HydrophobicContact CD1-CD1 3.93Å; L40-F143 HydrophobicContact CD1-CD2 4.48Å; L40-F143 HydrophobicContact CD1-CE1 4.01Å; L40-F143 HydrophobicContact CD1-CG 4.16Å; L40-F143 HydrophobicContact CD1-CZ 4.32Å; K41-F143 HydrophobicContact CD-CE2 4.29Å; K41-F143 HydrophobicContact CD-CZ 3.71Å; K41-F143 HydrophobicContact CG-CZ 3.89Å; L72-F143 HydrophobicContact CD1-CD2 3.98Å; L72-F143 HydrophobicContact CD1-CE2 4.33Å; L72-F143 HydrophobicContact CD2-CB 3.79Å; L72-F143 HydrophobicContact CD2-CD2 4.27Å; L72-F143 HydrophobicContact CD2-CG 4.2Å; L72-F143 HydrophobicContact CG-CB 4.39Å; L72-F143 HydrophobicContact CG-CD2 4.1Å; K73-F143 CarbonylContact O-C 3.58Å; K73-F143 WeakPolarHBondContact O-CA 3.5Å; K73-F143 WeakPolarHBondContact O-CB 3.48Å; I74-F143 HydrophobicContact CB-CB 4.1Å; I74-F143 HydrophobicContact CG1-CB 4.09Å; Y135-F143 WeakPolarHBondContact CA-O 3.46Å; Y135-F143 WeakPolarHBondContact CD2-O 3.41Å; G136-F143 VanDerWaalsContact C-CE1 3.43Å; G136-F143 PolarHBondContact N-O 3Å; G136-F143 WeakPolarHBondContact O-CD1 3.38Å; G136-F143 PolarHBondContact O-N 3.16Å; F143-V145 HydrophobicContact CD2-CG2 3.94Å; F143-V145 HydrophobicContact CE2-CG2 3.97Å
144I93.6Very high92Very high0 Ų024.9 Ų24.90%015%0.148CC..EExtended strand (participates in β ladder)trans-116.3150.6166.860.5174.9000109.8L72 K73 L84 E87 L88 Y91 F132 D134 Y135 I146L72-I144 WeakPolarHBondContact CA-O 3.13Å; K73-I144 HydrophobicContact CB-CD1 4.41Å; K73-I144 HydrophobicContact CB-CG1 3.9Å; K73-I144 PolarHBondContact N-O 2.88Å; K73-I144 PolarHBondContact O-N 2.98Å; L84-I144 HydrophobicContact CD2-CD1 3.71Å; L84-I144 HydrophobicContact CD2-CG1 3.73Å; L84-I144 HydrophobicContact CD2-CG2 4.47Å; E87-I144 HydrophobicContact CB-CD1 4.11Å; L88-I144 HydrophobicContact CD1-CG2 4.33Å; Y91-I144 HydrophobicContact CD2-CD1 4.2Å; Y91-I144 HydrophobicContact CE2-CD1 3.85Å; F132-I144 HydrophobicContact CE2-CB 4.15Å; F132-I144 HydrophobicContact CE2-CG2 4.06Å; D134-I144 CarbonylContact O-C 3.59Å; D134-I144 WeakPolarHBondContact O-CA 3.38Å; Y135-I144 HydrophobicContact CD2-CG2 3.8Å; I144-I146 HydrophobicContact CD1-CG2 4.18Å; I144-I146 HydrophobicContact CG1-CG2 4.44Å
145V93.7Very high92.1Very high0 Ų028.2 Ų28.20%016%0.163CC..EExtended strand (participates in β ladder)trans-118.5123.2175.7-170.20000108.1W44 V70 L72 Y133 D134 F143W44-V145 HydrophobicContact CD2-CG1 4Å; W44-V145 HydrophobicContact CD2-CG2 4.03Å; W44-V145 HydrophobicContact CE3-CG1 3.87Å; W44-V145 HydrophobicContact CG-CG2 4.09Å; W44-V145 HydrophobicContact CH2-CG1 3.91Å; W44-V145 HydrophobicContact CZ2-CB 4.41Å; W44-V145 HydrophobicContact CZ2-CG1 4.06Å; W44-V145 HydrophobicContact CZ2-CG2 4.44Å; W44-V145 HydrophobicContact CZ3-CG1 3.8Å; V70-V145 HydrophobicContact CB-CG1 3.79Å; V70-V145 HydrophobicContact CG1-CG1 4.28Å; V70-V145 HydrophobicContact CG2-CG1 3.46Å; V70-V145 VanDerWaalsContact CG2-CG1 3.46Å; L72-V145 HydrophobicContact CD1-CG2 3.9Å; L72-V145 HydrophobicContact CG-CG2 4.16Å; Y133-V145 WeakPolarHBondContact CA-O 3.32Å; Y133-V145 WeakPolarHBondContact CB-O 3.48Å; Y133-V145 HydrophobicContact CD2-CG1 4.26Å; Y133-V145 PolarHBondContact N-O 3.18Å; D134-V145 HydrophobicContact CB-CB 3.93Å; D134-V145 HydrophobicContact CB-CG2 3.91Å; D134-V145 PolarHBondContact N-O 3.47Å; D134-V145 PolarHBondContact O-N 2.8Å; F143-V145 HydrophobicContact CD2-CG2 3.94Å; F143-V145 HydrophobicContact CE2-CG2 3.97Å
146I92.2Very high92.3Very high15 Ų1526.8 Ų26.88%0.07716%0.157CC..EExtended strand (participates in β ladder)trans-136.8169.3-174.362.9175.1000111A71 Y91 P130 S131 F132 I144 L148A71-I146 HydrophobicContact CB-CG1 3.97Å; A71-I146 PolarHBondContact N-O 2.81Å; A71-I146 PolarHBondContact O-N 3.35Å; Y91-I146 HydrophobicContact CD2-CG2 4.44Å; Y91-I146 HydrophobicContact CE1-CG2 4.16Å; Y91-I146 HydrophobicContact CE2-CG2 3.94Å; Y91-I146 VanDerWaalsContact OH-CD1 3.28Å; Y91-I146 WeakPolarHBondContact OH-CD1 3.4Å; P130-I146 HydrophobicContact CB-CB 4.44Å; S131-I146 CarbonylContact O-C 3.56Å; S131-I146 WeakPolarHBondContact O-CA 3.21Å; F132-I146 HydrophobicContact CD2-CG2 4.12Å; I144-I146 HydrophobicContact CD1-CG2 4.18Å; I144-I146 HydrophobicContact CG1-CG2 4.44Å; I146-L148 PolarHBondContact O-N 2.79Å
147Q91.2Very high92.5Very high14 Ų1427.2 Ų27.27%0.06516%0.156CC..EExtended strand (participates in β ladder)trans-53.7128174.4-174.2-179.6700111.5P130 S131 Y133 L149 D206P130-Q147 HydrophobicContact CB-CB 4.04Å; S131-Q147 VanDerWaalsContact N-OE1 3.07Å; S131-Q147 PolarHBondContact O-N 2.87Å; Y133-Q147 HydrophobicContact CE2-CB 4.26Å; Q147-L149 HydrophobicContact CG-CD2 4.24Å; Q147-L149 PolarHBondContact O-N 2.84Å; Q147-D206 PolarHBondContact NE2-OD2 2.72Å
148L92.5Very high92.6Very high7 Ų730.8 Ų30.84%0.03716%0.16CC..PPolyproline II helixtrans-71.9126169.3-175.164.7000109I50 E60 R69 A71 I146 L203 Y370I50-L148 HydrophobicContact CD1-CD1 3.8Å; E60-L148 HydrophobicContact CG-CD1 4.11Å; E60-L148 HydrophobicContact CG-CD2 3.63Å; R69-L148 HydrophobicContact CB-CD2 3.86Å; A71-L148 HydrophobicContact CB-CD1 4.05Å; I146-L148 PolarHBondContact O-N 2.79Å; L148-L203 HydrophobicContact CB-CD1 4.15Å; L148-L203 HydrophobicContact CD2-CD1 3.93Å; L148-L203 HydrophobicContact CG-CD1 3.99Å; L148-Y370 HydrophobicContact CD2-CD1 4.48Å; L148-Y370 HydrophobicContact CD2-CE1 3.72Å
149L92.1Very high92.7Very high22 Ų2230.2 Ų30.212%0.11516%0.157CC..BIsolated β-bridgetrans-100167.2178-57.7-178.4000111.2P130 Q147 A200 F212 F214P130-L149 HydrophobicContact CG-CD1 4Å; P130-L149 HydrophobicContact CG-CD2 4.44Å; P130-L149 HydrophobicContact CG-CG 4.44Å; Q147-L149 HydrophobicContact CG-CD2 4.24Å; Q147-L149 PolarHBondContact O-N 2.84Å; L149-A200 HydrophobicContact CB-CB 3.98Å; L149-A200 HydrophobicContact CD1-CB 3.96Å; L149-F212 HydrophobicContact CD1-CB 3.74Å; L149-F212 HydrophobicContact CD1-CG 4.43Å; L149-F212 HydrophobicContact CD2-CB 4.03Å; L149-F212 HydrophobicContact CD2-CD1 4.44Å; L149-F212 HydrophobicContact CD2-CD2 3.67Å; L149-F212 HydrophobicContact CD2-CE2 4.25Å; L149-F212 HydrophobicContact CD2-CG 3.78Å; L149-F214 HydrophobicContact CD1-CB 4.19Å; L149-F214 HydrophobicContact CD1-CD1 3.7Å; L149-F214 HydrophobicContact CD1-CE1 4.31Å; L149-F214 HydrophobicContact CD1-CG 4.14Å
150G90.8Very high92.9Very high9 Ų923 Ų239%0.09312%0.118CC..  trans-72.2-176.9166.900000112.5A200 P201G150-A200 WeakPolarHBondContact O-CB 3.44Å; G150-P201 WeakPolarHBondContact CA-O 3.48Å; G150-P201 PolarHBondContact N-O 3.5Å
151P91.7Very high92.9Very high12 Ų1222.3 Ų22.38%0.07812%0.115CC..  trans-60.8143.8176.7-22.732.9000112.6Q155 W156 P201 M363 C367P151-Q155 HydrophobicContact CB-CB 4.1Å; P151-W156 HydrophobicContact CB-CZ2 4.45Å; P151-W156 HydrophobicContact CG-CZ2 4.02Å; P151-W156 PolarHBondContact O-NE1 3.12Å; P151-P201 VanDerWaalsContact O-CD 3.26Å; P151-P201 WeakPolarHBondContact O-CD 3.44Å; P151-M363 HydrophobicContact CB-CE 3.35Å; P151-M363 HydrophobicContact CG-CB 4.14Å; P151-M363 HydrophobicContact CG-CE 3.76Å; P151-M363 HydrophobicContact CG-CG 4.19Å; P151-C367 WeakPolarHBondContact CD-SG 3.4Å
152S94.7Very high92.9Very high10 Ų1030.9 Ų30.97%0.0715%0.152CC..  trans-59.3155.7177.964.70000113.1S154 Q155 W156 I199S152-S154 PolarHBondContact O-N 3.11Å; S152-S154 VanDerWaalsContact O-N 3.12Å; S152-Q155 WeakPolarHBondContact O-CA 3.48Å; S152-Q155 WeakPolarHBondContact O-CB 3.26Å; S152-Q155 PolarHBondContact O-N 2.84Å; S152-Q155 PolarHBondContact OG-N 3.2Å; S152-Q155 PolarHBondContact OG-OE1 2.9Å; S152-W156 PolarHBondContact O-N 2.84Å; S152-I199 CarbonylContact C-O 3.56Å; S152-I199 VanDerWaalsContact CA-O 3.27Å; S152-I199 WeakPolarHBondContact CA-O 3.33Å
153L96Very high93Very high0 Ų036.4 Ų36.40%018%0.175CC..Hα-helixtrans-57.7-28.1173.6-67.3-172.2000112.2W156 R157 F165 C173 I177 L196 I199 L211 M271 W349L153-W156 PolarHBondContact O-N 3.28Å; L153-R157 WeakPolarHBondContact O-CB 3.43Å; L153-R157 PolarHBondContact O-N 2.87Å; L153-F165 HydrophobicContact CB-CE2 4.43Å; L153-F165 HydrophobicContact CD2-CE2 4.37Å; L153-F165 HydrophobicContact CD2-CZ 4.29Å; L153-C173 HydrophobicContact CD1-CB 4.31Å; L153-I177 HydrophobicContact CD1-CD1 4.37Å; L153-L196 HydrophobicContact CB-CB 4.35Å; L153-L196 HydrophobicContact CB-CD2 3.72Å; L153-L196 HydrophobicContact CD1-CD2 4.06Å; L153-L196 PolarHBondContact N-O 3.32Å; L153-I199 HydrophobicContact CD1-CB 4.05Å; L153-I199 HydrophobicContact CD1-CG2 3.54Å; L153-I199 HydrophobicContact CG-CB 4.22Å; L153-I199 HydrophobicContact CG-CG2 3.94Å; L153-I199 PolarHBondContact N-O 2.82Å; L153-L211 HydrophobicContact CD1-CD1 4.03Å; L153-L211 HydrophobicContact CD1-CD2 4.41Å; L153-L211 HydrophobicContact CD2-CD2 3.87Å; L153-L211 HydrophobicContact CG-CD2 4.33Å; L153-M271 HydrophobicContact CD1-SD 4.27Å; L153-W349 HydrophobicContact CD2-CH2 3.52Å; L153-W349 HydrophobicContact CD2-CZ2 4.21Å; L153-W349 HydrophobicContact CD2-CZ3 3.84Å
154S95.7Very high93.1Very high23 Ų2337.6 Ų37.616%0.16118%0.183CC..Hα-helixtrans-63-40.9172.6177.30000112.2S152 R158 L196S152-S154 PolarHBondContact O-N 3.11Å; S152-S154 VanDerWaalsContact O-N 3.12Å; S154-R158 WeakPolarHBondContact O-CB 3.49Å; S154-R158 VanDerWaalsContact O-CG 3.3Å; S154-R158 WeakPolarHBondContact O-CG 3.48Å; S154-R158 PolarHBondContact O-N 3.02Å; S154-R158 PolarHBondContact O-NE 3.48Å; S154-L196 PolarHBondContact N-O 3.13Å
155Q93.7Very high93.2Very high79 Ų7937.9 Ų37.937%0.36918%0.184SC..Hα-helixtrans-70.2-47175.6-70.3160.1-66.800110.6P151 S152 R158 C159 M363P151-Q155 HydrophobicContact CB-CB 4.1Å; S152-Q155 WeakPolarHBondContact O-CA 3.48Å; S152-Q155 WeakPolarHBondContact O-CB 3.26Å; S152-Q155 PolarHBondContact O-N 2.84Å; S152-Q155 PolarHBondContact OG-N 3.2Å; S152-Q155 PolarHBondContact OG-OE1 2.9Å; Q155-R158 VanDerWaalsContact CG-NH2 3.33Å; Q155-R158 PolarHBondContact O-N 3.26Å; Q155-C159 PolarHBondContact O-N 3.48Å; Q155-C159 PolarHBondContact O-SG 3.01Å; Q155-M363 HydrophobicContact CB-CE 3.56Å; Q155-M363 HydrophobicContact CB-SD 4.32Å
156W93.8Very high93.3Very high3 Ų339.9 Ų39.91%0.01120%0.197CC..Hα-helixtrans-59.6-50.1178.8-75121.2000112.6P151 S152 L153 R158 C159 M160 F165 W349 L355 M363P151-W156 HydrophobicContact CB-CZ2 4.45Å; P151-W156 HydrophobicContact CG-CZ2 4.02Å; P151-W156 PolarHBondContact O-NE1 3.12Å; S152-W156 PolarHBondContact O-N 2.84Å; L153-W156 PolarHBondContact O-N 3.28Å; W156-R158 VanDerWaalsContact C-N 3.29Å; W156-R158 PolarHBondContact O-N 2.87Å; W156-C159 WeakPolarHBondContact O-CB 3.47Å; W156-C159 PolarHBondContact O-N 2.91Å; W156-M160 WeakPolarHBondContact O-CE 3.42Å; W156-M160 PolarHBondContact O-N 3.17Å; W156-F165 HydrophobicContact CB-CE1 4.15Å; W156-F165 HydrophobicContact CB-CZ 4.03Å; W156-W349 HydrophobicContact CB-CD2 4.43Å; W156-W349 HydrophobicContact CB-CE3 4.05Å; W156-W349 HydrophobicContact CD2-CB 3.54Å; W156-W349 HydrophobicContact CD2-CD2 4.26Å; W156-W349 AromaticContact CD2-CG 3.76Å; W156-W349 HydrophobicContact CD2-CG 3.76Å; W156-W349 AromaticContact CE2-CG 3.98Å; W156-W349 HydrophobicContact CE3-CB 3.24Å; W156-W349 HydrophobicContact CE3-CG 4Å; W156-W349 HydrophobicContact CG-CB 4.18Å; W156-W349 HydrophobicContact CG-CD2 4.09Å; W156-W349 HydrophobicContact CG-CE3 4.19Å; W156-W349 HydrophobicContact CG-CG 4.11Å; W156-W349 HydrophobicContact CH2-CB 4.06Å; W156-W349 HydrophobicContact CZ2-CB 4.34Å; W156-W349 HydrophobicContact CZ2-CG 4.38Å; W156-W349 HydrophobicContact CZ3-CB 3.54Å; W156-W349 HydrophobicContact CZ3-CG 4.4Å; W156-L355 HydrophobicContact CZ3-CD2 4.49Å; W156-M363 HydrophobicContact CD2-CE 3.5Å; W156-M363 VanDerWaalsContact CD2-CE 3.5Å; W156-M363 HydrophobicContact CE3-CE 3.48Å; W156-M363 VanDerWaalsContact CE3-CE 3.48Å; W156-M363 HydrophobicContact CG-CE 4.03Å; W156-M363 HydrophobicContact CH2-CB 3.59Å; W156-M363 HydrophobicContact CH2-CE 4.2Å; W156-M363 HydrophobicContact CZ2-CB 4.22Å; W156-M363 HydrophobicContact CZ2-CE 4.18Å; W156-M363 HydrophobicContact CZ3-CB 3.73Å; W156-M363 HydrophobicContact CZ3-CE 3.85Å
157R95Very high93.5Very high16 Ų1641.6 Ų41.66%0.0621%0.208CC..Hα-helixtrans-57.3-42.5179.7-173.7-176.964.279.9-14.5111.7L153 C159 M160 K163 F165 E270 G274L153-R157 WeakPolarHBondContact O-CB 3.43Å; L153-R157 PolarHBondContact O-N 2.87Å; R157-C159 PolarHBondContact O-N 3.19Å; R157-M160 WeakPolarHBondContact O-CB 3.48Å; R157-M160 PolarHBondContact O-N 2.83Å; R157-K163 VanDerWaalsContact CG-O 3.26Å; R157-K163 WeakPolarHBondContact CG-O 3.26Å; R157-K163 PolarHBondContact NH1-O 3.3Å; R157-K163 CarbonylContact O-C 3.48Å; R157-K163 VanDerWaalsContact O-CA 3.26Å; R157-K163 WeakPolarHBondContact O-CA 3.39Å; R157-F165 HydrophobicContact CB-CE1 4Å; R157-F165 HydrophobicContact CB-CE2 4.01Å; R157-F165 HydrophobicContact CB-CZ 3.63Å; R157-F165 HydrophobicContact CG-CE2 4.46Å; R157-F165 HydrophobicContact CG-CZ 4.41Å; R157-E270 IonicContact CZ-OE2 3.5Å; R157-E270 IonicContact NE-OE2 2.83Å; R157-E270 PolarHBondContact NE-OE2 3.3Å; R157-E270 IonicContact NH2-OE1 3.43Å; R157-E270 PolarHBondContact NH2-OE1 3.33Å; R157-E270 IonicContact NH2-OE2 3.66Å; R157-E270 PolarHBondContact NH2-OE2 3.29Å; R157-G274 PolarHBondContact NH1-O 3.34Å
158R93.2Very high93.7Very high141 Ų14141.2 Ų41.253%0.53221%0.208SC..Hα-helixtrans-64.1-25.6179-80.5-177.1-71.8148.1-8.6113.4S154 Q155 W156S154-R158 WeakPolarHBondContact O-CB 3.49Å; S154-R158 VanDerWaalsContact O-CG 3.3Å; S154-R158 WeakPolarHBondContact O-CG 3.48Å; S154-R158 PolarHBondContact O-N 3.02Å; S154-R158 PolarHBondContact O-NE 3.48Å; Q155-R158 VanDerWaalsContact CG-NH2 3.33Å; Q155-R158 PolarHBondContact O-N 3.26Å; W156-R158 VanDerWaalsContact C-N 3.29Å; W156-R158 PolarHBondContact O-N 2.87Å
159C90.2Very high93.9Very high18 Ų1840.9 Ų40.912%0.12221%0.206CC..Hα-helixtrans-86.9-12.7179-63.50000113.3Q155 W156 R157 A360Q155-C159 PolarHBondContact O-N 3.48Å; Q155-C159 PolarHBondContact O-SG 3.01Å; W156-C159 WeakPolarHBondContact O-CB 3.47Å; W156-C159 PolarHBondContact O-N 2.91Å; R157-C159 PolarHBondContact O-N 3.19Å; C159-A360 HydrophobicContact CB-CB 3.94Å
160M91.9Very high94.2Very high5 Ų539.9 Ų39.93%0.02520%0.201CC..SBendtrans-68.4146.8175.3-62.5-58.1111.800111.1W156 R157 K162 K163 C164 F165 D348 W349 F354W156-M160 WeakPolarHBondContact O-CE 3.42Å; W156-M160 PolarHBondContact O-N 3.17Å; R157-M160 WeakPolarHBondContact O-CB 3.48Å; R157-M160 PolarHBondContact O-N 2.83Å; M160-K162 VanDerWaalsContact C-N 3.31Å; M160-K162 PolarHBondContact O-N 2.89Å; M160-K162 VanDerWaalsContact O-N 3.17Å; M160-K163 WeakPolarHBondContact O-CA 3.49Å; M160-K163 PolarHBondContact O-N 2.8Å; M160-C164 WeakPolarHBondContact CB-O 3.12Å; M160-C164 WeakPolarHBondContact CG-O 3.35Å; M160-F165 HydrophobicContact CG-CD1 3.76Å; M160-F165 HydrophobicContact CG-CE1 3.86Å; M160-F165 HydrophobicContact SD-CD1 4.44Å; M160-D348 HydrophobicContact SD-CB 3.52Å; M160-D348 VanDerWaalsContact SD-CB 3.52Å; M160-W349 HydrophobicContact CE-CB 4.15Å; M160-F354 HydrophobicContact SD-CB 4.03Å; M160-F354 HydrophobicContact SD-CG 4.49Å
161P89.3Confident94.5Very high78 Ų7839.4 Ų39.451%0.50620%0.196SC..THydrogen-bonded Turntrans-53.2-41.8-174.6-29.435.2000114.9F354P161-F354 HydrophobicContact CG-CD1 4.26Å
162K92.1Very high94.7Very high180 Ų18038.9 Ų38.978%0.78319%0.193SC*.THydrogen-bonded Turntrans-95.46177.8-67.4-177.4-179177.10113.6M160 C164M160-K162 VanDerWaalsContact C-N 3.31Å; M160-K162 PolarHBondContact O-N 2.89Å; M160-K162 VanDerWaalsContact O-N 3.17Å; K162-C164 VanDerWaalsContact CB-SG 3.56Å; K162-C164 PolarHBondContact O-N 2.88Å
163K94.6Very high94.9Very high132 Ų13238.4 Ų38.457%0.57419%0.19SC*.SBendtrans55.828.5-171.6-54.5-178.1180178.40113.7R157 M160 G274R157-K163 VanDerWaalsContact CG-O 3.26Å; R157-K163 WeakPolarHBondContact CG-O 3.26Å; R157-K163 PolarHBondContact NH1-O 3.3Å; R157-K163 CarbonylContact O-C 3.48Å; R157-K163 VanDerWaalsContact O-CA 3.26Å; R157-K163 WeakPolarHBondContact O-CA 3.39Å; M160-K163 WeakPolarHBondContact O-CA 3.49Å; M160-K163 PolarHBondContact O-N 2.8Å; K163-G274 WeakPolarHBondContact O-CA 3.5Å
164C96.3Very high95Very high25 Ų2538.4 Ų38.417%0.16919%0.19CC..SBendtrans-138.2165.517464.70000108.8M160 K162 M271 F272M160-C164 WeakPolarHBondContact CB-O 3.12Å; M160-C164 WeakPolarHBondContact CG-O 3.35Å; K162-C164 VanDerWaalsContact CB-SG 3.56Å; K162-C164 PolarHBondContact O-N 2.88Å; C164-M271 WeakPolarHBondContact CA-O 3.16Å; C164-M271 WeakPolarHBondContact CB-O 3.27Å; C164-F272 WeakPolarHBondContact CB-O 3.45Å
165F96.7Very high95.1Very high6 Ų638.5 Ų38.53%0.02619%0.187CC..  trans-90.9157.6172.1-65.3-45.3000111L153 W156 R157 M160 T169 A170 M271 D348 W349L153-F165 HydrophobicContact CB-CE2 4.43Å; L153-F165 HydrophobicContact CD2-CE2 4.37Å; L153-F165 HydrophobicContact CD2-CZ 4.29Å; W156-F165 HydrophobicContact CB-CE1 4.15Å; W156-F165 HydrophobicContact CB-CZ 4.03Å; R157-F165 HydrophobicContact CB-CE1 4Å; R157-F165 HydrophobicContact CB-CE2 4.01Å; R157-F165 HydrophobicContact CB-CZ 3.63Å; R157-F165 HydrophobicContact CG-CE2 4.46Å; R157-F165 HydrophobicContact CG-CZ 4.41Å; M160-F165 HydrophobicContact CG-CD1 3.76Å; M160-F165 HydrophobicContact CG-CE1 3.86Å; M160-F165 HydrophobicContact SD-CD1 4.44Å; F165-T169 HydrophobicContact CB-CG2 3.63Å; F165-T169 HydrophobicContact CD1-CG2 3.72Å; F165-T169 HydrophobicContact CD2-CG2 3.96Å; F165-T169 HydrophobicContact CE1-CG2 4.37Å; F165-T169 HydrophobicContact CG-CG2 3.51Å; F165-A170 HydrophobicContact CB-CB 4.2Å; F165-M271 HydrophobicContact CD2-CB 3.92Å; F165-M271 HydrophobicContact CD2-CG 3.77Å; F165-M271 HydrophobicContact CD2-SD 3.92Å; F165-M271 HydrophobicContact CE2-CG 4.05Å; F165-M271 HydrophobicContact CE2-SD 4.06Å; F165-M271 PolarHBondContact N-O 3.27Å; F165-D348 WeakPolarHBondContact CA-OD2 3.5Å; F165-D348 WeakPolarHBondContact CB-OD2 3.39Å; F165-D348 HydrophobicContact CD1-CB 4.41Å; F165-W349 HydrophobicContact CD1-CE3 4.44Å; F165-W349 HydrophobicContact CD1-CZ3 4.27Å; F165-W349 AromaticContact CE1-CE3 3.75Å; F165-W349 HydrophobicContact CE1-CE3 3.75Å; F165-W349 AromaticContact CE1-CZ3 3.69Å; F165-W349 HydrophobicContact CE1-CZ3 3.69Å; F165-W349 HydrophobicContact CE2-CZ3 4.22Å; F165-W349 HydrophobicContact CZ-CE3 4.08Å; F165-W349 AromaticContact CZ-CZ3 3.66Å; F165-W349 HydrophobicContact CZ-CZ3 3.66Å
166T96.1Very high95.2Very high43 Ų4335.6 Ų35.626%0.26417%0.174SC..  trans-61.7160.7165.266.50000110.3G168 T169 A170 D348 F354T166-G168 VanDerWaalsContact C-N 3.27Å; T166-G168 PolarHBondContact O-N 2.89Å; T166-T169 PolarHBondContact O-N 2.87Å; T166-T169 PolarHBondContact OG1-N 2.87Å; T166-A170 WeakPolarHBondContact O-CB 3.41Å; T166-A170 PolarHBondContact O-N 2.82Å; T166-D348 WeakPolarHBondContact CB-OD1 3.43Å; T166-D348 VanDerWaalsContact CG2-OD1 3.28Å; T166-D348 WeakPolarHBondContact CG2-OD1 3.49Å; T166-D348 PolarHBondContact N-OD2 2.84Å; T166-D348 PolarHBondContact OG1-OD1 3.32Å; T166-D348 PolarHBondContact OG1-OD2 3.07Å; T166-F354 HydrophobicContact CG2-CE1 4.2Å; T166-F354 HydrophobicContact CG2-CE2 3.93Å; T166-F354 HydrophobicContact CG2-CZ 3.48Å; T166-F354 VanDerWaalsContact CG2-CZ 3.48Å
167V96.2Very high95.3Very high50 Ų5035.5 Ų35.530%0.30317%0.174SC..Hα-helixtrans-53.8-47.4177.5176.70000111T169 A170 I171 F272 V335 E339V167-T169 PolarHBondContact O-N 2.99Å; V167-A170 PolarHBondContact O-N 3.02Å; V167-I171 WeakPolarHBondContact O-CB 3.4Å; V167-I171 VanDerWaalsContact O-CG2 3.29Å; V167-I171 WeakPolarHBondContact O-CG2 3.33Å; V167-I171 PolarHBondContact O-N 3.1Å; V167-F272 HydrophobicContact CB-CE1 4.07Å; V167-F272 HydrophobicContact CG1-CE1 3.94Å; V167-F272 HydrophobicContact CG1-CZ 4.43Å; V167-F272 HydrophobicContact CG2-CD1 4.48Å; V167-F272 HydrophobicContact CG2-CE1 3.99Å; V167-V335 HydrophobicContact CG1-CG1 4.28Å; V167-E339 HydrophobicContact CG1-CB 4.47Å; V167-E339 HydrophobicContact CG1-CG 3.72Å
168G95.9Very high95.5Very high7 Ų734.8 Ų34.87%0.07217%0.171CC..Hα-helixtrans-63.8-38.1-179.300000113.8T166 R172T166-G168 VanDerWaalsContact C-N 3.27Å; T166-G168 PolarHBondContact O-N 2.89Å; G168-R172 VanDerWaalsContact O-CG 3.26Å; G168-R172 WeakPolarHBondContact O-CG 3.27Å; G168-R172 PolarHBondContact O-N 2.84Å; G168-R172 PolarHBondContact O-NE 2.9Å
169T95.9Very high95.6Very high0 Ų028.8 Ų28.80%015%0.15CC..Hα-helixtrans-72.1-47.1174.7-720000111.3F165 T166 V167 I171 R172 C173 F347 D348 W349F165-T169 HydrophobicContact CB-CG2 3.63Å; F165-T169 HydrophobicContact CD1-CG2 3.72Å; F165-T169 HydrophobicContact CD2-CG2 3.96Å; F165-T169 HydrophobicContact CE1-CG2 4.37Å; F165-T169 HydrophobicContact CG-CG2 3.51Å; T166-T169 PolarHBondContact O-N 2.87Å; T166-T169 PolarHBondContact OG1-N 2.87Å; V167-T169 PolarHBondContact O-N 2.99Å; T169-I171 PolarHBondContact O-N 2.85Å; T169-R172 PolarHBondContact O-N 3.01Å; T169-C173 WeakPolarHBondContact O-CB 3.4Å; T169-C173 PolarHBondContact O-N 3.42Å; T169-C173 PolarHBondContact O-SG 3.48Å; T169-F347 HydrophobicContact CG2-CD1 3.95Å; T169-D348 VanDerWaalsContact CB-CG 3.49Å; T169-D348 WeakPolarHBondContact CB-OD1 2.87Å; T169-D348 WeakPolarHBondContact CB-OD2 3.36Å; T169-D348 HydrophobicContact CG2-CB 4.39Å; T169-D348 PolarHBondContact OG1-N 3.21Å; T169-D348 PolarHBondContact OG1-OD1 2.76Å; T169-W349 HydrophobicContact CG2-CE3 4.28Å; T169-W349 HydrophobicContact CG2-CH2 4.15Å; T169-W349 HydrophobicContact CG2-CZ3 3.55Å
170A97.9Very high95.9Very high0 Ų028.2 Ų28.20%015%0.147CC..Hα-helixtrans-59.3-44.4-177.700000112.5F165 T166 V167 A174 M271 F272F165-A170 HydrophobicContact CB-CB 4.2Å; T166-A170 WeakPolarHBondContact O-CB 3.41Å; T166-A170 PolarHBondContact O-N 2.82Å; V167-A170 PolarHBondContact O-N 3.02Å; A170-A174 WeakPolarHBondContact O-CB 3.44Å; A170-A174 PolarHBondContact O-N 3.37Å; A170-M271 HydrophobicContact CB-CB 3.93Å; A170-M271 WeakPolarHBondContact O-CE 3.32Å; A170-F272 HydrophobicContact CB-CD1 4.13Å; A170-F272 HydrophobicContact CB-CD2 4.01Å; A170-F272 HydrophobicContact CB-CE1 4Å; A170-F272 HydrophobicContact CB-CE2 3.84Å; A170-F272 HydrophobicContact CB-CG 4.13Å; A170-F272 HydrophobicContact CB-CZ 3.83Å
171I97.8Very high96.2Very high0 Ų028 Ų280%015%0.145CC..Hα-helixtrans-71.6-39.8-177.1-161.769.4000112.6V167 T169 A174 H175 F332 V335 L336V167-I171 WeakPolarHBondContact O-CB 3.4Å; V167-I171 VanDerWaalsContact O-CG2 3.29Å; V167-I171 WeakPolarHBondContact O-CG2 3.33Å; V167-I171 PolarHBondContact O-N 3.1Å; T169-I171 PolarHBondContact O-N 2.85Å; I171-A174 PolarHBondContact O-N 3.39Å; I171-H175 WeakPolarHBondContact O-CB 3.15Å; I171-H175 PolarHBondContact O-N 3.27Å; I171-F332 HydrophobicContact CD1-CB 4.05Å; I171-F332 HydrophobicContact CD1-CD1 3.35Å; I171-F332 HydrophobicContact CD1-CE1 4.06Å; I171-F332 HydrophobicContact CD1-CG 4Å; I171-F332 HydrophobicContact CG1-CB 4.15Å; I171-F332 HydrophobicContact CG1-CD1 4.32Å; I171-V335 HydrophobicContact CB-CG1 4.25Å; I171-V335 HydrophobicContact CD1-CB 3.87Å; I171-V335 HydrophobicContact CD1-CG1 3.89Å; I171-V335 HydrophobicContact CD1-CG2 4.06Å; I171-V335 HydrophobicContact CG1-CB 3.84Å; I171-V335 HydrophobicContact CG1-CG1 3.77Å; I171-L336 HydrophobicContact CG1-CG 4.45Å; I171-L336 HydrophobicContact CG2-CD2 3.44Å; I171-L336 VanDerWaalsContact CG2-CD2 3.44Å; I171-L336 HydrophobicContact CG2-CG 3.97Å
172R96.6Very high96.5Very high1 Ų125.5 Ų25.50%0.00413%0.127CC..Hα-helixtrans-67.1-38.7176-69.7-178.3-61.8125.4-5.4111.7G168 T169 H175 Q176 L336 V341 K342 M343 D345 P346 F347G168-R172 VanDerWaalsContact O-CG 3.26Å; G168-R172 WeakPolarHBondContact O-CG 3.27Å; G168-R172 PolarHBondContact O-N 2.84Å; G168-R172 PolarHBondContact O-NE 2.9Å; T169-R172 PolarHBondContact O-N 3.01Å; R172-H175 PolarHBondContact O-N 3.4Å; R172-Q176 WeakPolarHBondContact O-CG 3.46Å; R172-Q176 PolarHBondContact O-N 2.94Å; R172-L336 HydrophobicContact CG-CD2 3.63Å; R172-V341 HydrophobicContact CG-CG1 4.28Å; R172-K342 WeakPolarHBondContact CD-O 3.04Å; R172-M343 HydrophobicContact CB-SD 4.41Å; R172-M343 HydrophobicContact CG-SD 3.84Å; R172-D345 VanDerWaalsContact CZ-O 3.25Å; R172-D345 PolarHBondContact NH1-O 3.2Å; R172-D345 PolarHBondContact NH2-O 3.26Å; R172-P346 PolarHBondContact NH2-O 3.05Å; R172-F347 HydrophobicContact CB-CE1 3.98Å; R172-F347 VanDerWaalsContact NH1-CE1 3.26Å; R172-F347 VanDerWaalsContact NH2-CD1 3.34Å
173C97.1Very high96.6Very high0 Ų019.4 Ų19.40%010%0.102CC..Hα-helixtrans-59-51.3170.9-69.40000110.8L153 T169 H175 Q176 I177 L211 M271L153-C173 HydrophobicContact CD1-CB 4.31Å; T169-C173 WeakPolarHBondContact O-CB 3.4Å; T169-C173 PolarHBondContact O-N 3.42Å; T169-C173 PolarHBondContact O-SG 3.48Å; C173-H175 VanDerWaalsContact C-N 3.31Å; C173-H175 PolarHBondContact O-N 2.8Å; C173-Q176 PolarHBondContact O-N 3.14Å; C173-I177 HydrophobicContact CB-CD1 4.44Å; C173-I177 VanDerWaalsContact O-CD1 3.26Å; C173-I177 WeakPolarHBondContact O-CD1 3.44Å; C173-I177 WeakPolarHBondContact O-CG1 3.5Å; C173-I177 PolarHBondContact O-N 3.47Å; C173-L211 HydrophobicContact CB-CD1 3.81Å; C173-M271 HydrophobicContact CB-CE 3.83Å; C173-M271 HydrophobicContact CB-SD 3.55Å; C173-M271 VanDerWaalsContact CB-SD 3.55Å
174A98.3Very high96.7Very high0 Ų013.3 Ų13.30%08%0.075CC..Hα-helixtrans-58.8-41.7-179.700000112.3A170 I171 I177 L178 L264 T268 M271 F332A170-A174 WeakPolarHBondContact O-CB 3.44Å; A170-A174 PolarHBondContact O-N 3.37Å; I171-A174 PolarHBondContact O-N 3.39Å; A174-I177 PolarHBondContact O-N 3.27Å; A174-L178 WeakPolarHBondContact O-CB 3.45Å; A174-L178 PolarHBondContact O-N 3.31Å; A174-L264 HydrophobicContact CB-CD1 4.49Å; A174-T268 HydrophobicContact CB-CG2 3.92Å; A174-T268 WeakPolarHBondContact CB-OG1 3.3Å; A174-M271 HydrophobicContact CB-CE 4.11Å; A174-F332 HydrophobicContact CB-CE1 4Å; A174-F332 HydrophobicContact CB-CE2 4.01Å; A174-F332 HydrophobicContact CB-CZ 3.69Å
175H97.5Very high96.7Very high24 Ų2412.2 Ų12.211%0.1117%0.067CC..Hα-helixtrans-61.3-49.6175.5-174.7-64.9000112.2I171 R172 C173 I177 L178 C179 F332 D333I171-H175 WeakPolarHBondContact O-CB 3.15Å; I171-H175 PolarHBondContact O-N 3.27Å; R172-H175 PolarHBondContact O-N 3.4Å; C173-H175 VanDerWaalsContact C-N 3.31Å; C173-H175 PolarHBondContact O-N 2.8Å; H175-I177 PolarHBondContact O-N 3.31Å; H175-L178 WeakPolarHBondContact O-CB 3.24Å; H175-L178 PolarHBondContact O-N 2.65Å; H175-C179 VanDerWaalsContact CE1-SG 3.5Å; H175-C179 PolarHBondContact O-N 3.23Å; H175-C179 VanDerWaalsContact O-N 3.09Å; H175-C179 PolarHBondContact O-SG 3.33Å; H175-F332 HydrophobicContact CB-CB 4.23Å; H175-F332 HydrophobicContact CB-CD2 4.09Å; H175-D333 IonicContact CD2-OD1 2.67Å; H175-D333 IonicContact NE2-OD1 2.66Å
176Q95.7Very high96.5Very high19 Ų1917.6 Ų17.69%0.0899%0.093CC..Hα-helixtrans-65-38.9179-70-176.131.600112.1Y128 R172 C173 L178 C179 A180 L211 M343Y128-Q176 HydrophobicContact CE1-CB 4.38Å; R172-Q176 WeakPolarHBondContact O-CG 3.46Å; R172-Q176 PolarHBondContact O-N 2.94Å; C173-Q176 PolarHBondContact O-N 3.14Å; Q176-L178 VanDerWaalsContact C-N 3.32Å; Q176-L178 PolarHBondContact O-N 2.91Å; Q176-C179 PolarHBondContact O-N 2.88Å; Q176-A180 WeakPolarHBondContact O-CB 3.44Å; Q176-A180 PolarHBondContact O-N 2.63Å; Q176-L211 HydrophobicContact CB-CB 4.42Å; Q176-L211 HydrophobicContact CB-CD1 4.27Å; Q176-M343 HydrophobicContact CG-CE 4.15Å
177I97.8Very high96.3Very high1 Ų116.7 Ų16.71%0.0059%0.09CC..Hα-helixtrans-64.3-37.9175.9-61156000111L153 C173 A174 H175 A180 L181 I199 L211 L213 L264 V267 M271L153-I177 HydrophobicContact CD1-CD1 4.37Å; C173-I177 HydrophobicContact CB-CD1 4.44Å; C173-I177 VanDerWaalsContact O-CD1 3.26Å; C173-I177 WeakPolarHBondContact O-CD1 3.44Å; C173-I177 WeakPolarHBondContact O-CG1 3.5Å; C173-I177 PolarHBondContact O-N 3.47Å; A174-I177 PolarHBondContact O-N 3.27Å; H175-I177 PolarHBondContact O-N 3.31Å; I177-A180 PolarHBondContact O-N 3.42Å; I177-L181 HydrophobicContact CG2-CD1 4.15Å; I177-L181 WeakPolarHBondContact O-CB 3.44Å; I177-L181 WeakPolarHBondContact O-CG 3.46Å; I177-L181 PolarHBondContact O-N 3.15Å; I177-I199 HydrophobicContact CD1-CD1 3.69Å; I177-I199 HydrophobicContact CD1-CG2 4.28Å; I177-I199 HydrophobicContact CG1-CD1 4Å; I177-I199 HydrophobicContact CG1-CG2 4.02Å; I177-I199 HydrophobicContact CG2-CD1 4.32Å; I177-L211 HydrophobicContact CG1-CD1 4.27Å; I177-L213 HydrophobicContact CG2-CD2 4.29Å; I177-L264 HydrophobicContact CB-CD1 3.85Å; I177-L264 HydrophobicContact CD1-CD1 4.34Å; I177-L264 HydrophobicContact CG2-CD1 3.67Å; I177-V267 HydrophobicContact CD1-CG1 4.41Å; I177-M271 HydrophobicContact CD1-CE 4.32Å
178L98.2Very high96.2Very high1 Ų114.5 Ų14.51%0.0058%0.077CC..Hα-helixtrans-61.3-44.8174.4178.561.7000111.5A174 H175 Q176 A180 L181 E182 M261 L264 Y325 L328 K329 F332A174-L178 WeakPolarHBondContact O-CB 3.45Å; A174-L178 PolarHBondContact O-N 3.31Å; H175-L178 WeakPolarHBondContact O-CB 3.24Å; H175-L178 PolarHBondContact O-N 2.65Å; Q176-L178 VanDerWaalsContact C-N 3.32Å; Q176-L178 PolarHBondContact O-N 2.91Å; L178-A180 VanDerWaalsContact C-N 3.34Å; L178-L181 PolarHBondContact O-N 2.92Å; L178-E182 WeakPolarHBondContact O-CB 3.27Å; L178-E182 PolarHBondContact O-N 3.37Å; L178-M261 HydrophobicContact CD1-CE 4.23Å; L178-M261 HydrophobicContact CD1-SD 3.67Å; L178-L264 HydrophobicContact CB-CD2 3.83Å; L178-L264 HydrophobicContact CD1-CD2 4Å; L178-L264 HydrophobicContact CG-CD2 4.5Å; L178-Y325 HydrophobicContact CD1-CD1 3.97Å; L178-L328 HydrophobicContact CD1-CB 4.35Å; L178-L328 HydrophobicContact CD1-CD1 4.21Å; L178-L328 HydrophobicContact CD2-CB 3.58Å; L178-K329 HydrophobicContact CD2-CB 4.38Å; L178-K329 HydrophobicContact CD2-CG 3.64Å; L178-K329 HydrophobicContact CG-CG 4.37Å; L178-F332 HydrophobicContact CB-CE2 4.08Å; L178-F332 HydrophobicContact CD2-CD2 3.96Å; L178-F332 HydrophobicContact CD2-CE2 3.78Å
179C95.9Very high96.2Very high15 Ų1515.2 Ų15.210%0.1018%0.078CC..Hα-helixtrans-62.9-42.1177-610000111.5Y128 H175 Q176 L181 E182 E183Y128-C179 HydrophobicContact CD2-CB 4.35Å; Y128-C179 HydrophobicContact CE1-CB 4.28Å; Y128-C179 HydrophobicContact CE2-CB 3.5Å; Y128-C179 VanDerWaalsContact CZ-CB 3.45Å; Y128-C179 WeakPolarHBondContact OH-CB 3.41Å; H175-C179 VanDerWaalsContact CE1-SG 3.5Å; H175-C179 PolarHBondContact O-N 3.23Å; H175-C179 VanDerWaalsContact O-N 3.09Å; H175-C179 PolarHBondContact O-SG 3.33Å; Q176-C179 PolarHBondContact O-N 2.88Å; C179-L181 PolarHBondContact O-N 2.83Å; C179-E182 PolarHBondContact O-N 3.42Å; C179-E183 PolarHBondContact O-N 2.82Å
180A95.7Very high96.4Very high5 Ų515.2 Ų15.24%0.0418%0.078CC..Hα-helixtrans-62-41.6176.100000112.8Y128 Q176 I177 L178 L184 L213Y128-A180 HydrophobicContact CD1-CB 4.18Å; Y128-A180 HydrophobicContact CD2-CB 4.05Å; Y128-A180 HydrophobicContact CG-CB 3.6Å; Q176-A180 WeakPolarHBondContact O-CB 3.44Å; Q176-A180 PolarHBondContact O-N 2.63Å; I177-A180 PolarHBondContact O-N 3.42Å; L178-A180 VanDerWaalsContact C-N 3.34Å; A180-L184 WeakPolarHBondContact O-CB 3.49Å; A180-L184 PolarHBondContact O-N 3.48Å; A180-L213 HydrophobicContact CB-CD1 3.53Å; A180-L213 HydrophobicContact CB-CG 3.63Å
181L98Very high96.4Very high0 Ų015.2 Ų15.20%08%0.078CC..Hα-helixtrans-68.5-39.7176.6-82.1172.5000112.4I177 L178 C179 L184 H185 H191 I194 L213 D260 M261 L264I177-L181 HydrophobicContact CG2-CD1 4.15Å; I177-L181 WeakPolarHBondContact O-CB 3.44Å; I177-L181 WeakPolarHBondContact O-CG 3.46Å; I177-L181 PolarHBondContact O-N 3.15Å; L178-L181 PolarHBondContact O-N 2.92Å; C179-L181 PolarHBondContact O-N 2.83Å; L181-L184 PolarHBondContact O-N 3.25Å; L181-H185 VanDerWaalsContact O-CB 3.25Å; L181-H185 WeakPolarHBondContact O-CB 3.27Å; L181-H185 PolarHBondContact O-CD2 2.6Å; L181-H185 VanDerWaalsContact O-CD2 3.29Å; L181-H185 PolarHBondContact O-N 3.45Å; L181-H185 PolarHBondContact O-ND1 3.26Å; L181-H191 HydrophobicContact CD2-CB 4.39Å; L181-I194 HydrophobicContact CD1-CD1 4.29Å; L181-I194 HydrophobicContact CD1-CG1 4.16Å; L181-I194 HydrophobicContact CD2-CD1 3.57Å; L181-I194 HydrophobicContact CD2-CG1 3.86Å; L181-I194 HydrophobicContact CG-CD1 4.18Å; L181-I194 HydrophobicContact CG-CG1 4.49Å; L181-L213 HydrophobicContact CD2-CD1 4.18Å; L181-L213 HydrophobicContact CG-CD1 4.18Å; L181-D260 HydrophobicContact CD1-CB 4.45Å; L181-D260 HydrophobicContact CD2-CB 3.95Å; L181-M261 HydrophobicContact CB-CE 3.53Å; L181-M261 HydrophobicContact CD1-CE 3.46Å; L181-M261 VanDerWaalsContact CD1-CE 3.46Å; L181-M261 HydrophobicContact CG-CE 4.03Å; L181-L264 HydrophobicContact CD1-CB 4.06Å; L181-L264 HydrophobicContact CD1-CD2 4.24Å
182E97.3Very high96.4Very high27 Ų2717.1 Ų17.113%0.1269%0.085CC..Hα-helixtrans-59.4-48.9173.8-179.2178.2-141.700110.9L178 C179 L184 H185 E186 Y325 K329L178-E182 WeakPolarHBondContact O-CB 3.27Å; L178-E182 PolarHBondContact O-N 3.37Å; C179-E182 PolarHBondContact O-N 3.42Å; E182-L184 PolarHBondContact O-N 3.09Å; E182-H185 CarbonylContact O-C 3.53Å; E182-H185 PolarHBondContact O-N 3.26Å; E182-H185 VanDerWaalsContact O-N 3.14Å; E182-E186 HydrophobicContact CG-CG 4.48Å; E182-E186 WeakPolarHBondContact O-CB 3.25Å; E182-E186 WeakPolarHBondContact O-CG 3.07Å; E182-E186 PolarHBondContact O-N 3.48Å; E182-Y325 HydrophobicContact CB-CD1 3.79Å; E182-Y325 HydrophobicContact CB-CD2 4.49Å; E182-Y325 HydrophobicContact CB-CE1 3.98Å; E182-Y325 HydrophobicContact CB-CG 4.08Å; E182-Y325 HydrophobicContact CG-CD1 4.02Å; E182-Y325 HydrophobicContact CG-CD2 3.83Å; E182-Y325 HydrophobicContact CG-CE1 4.33Å; E182-Y325 HydrophobicContact CG-CE2 4.13Å; E182-Y325 HydrophobicContact CG-CG 3.77Å; E182-Y325 WeakPolarHBondContact OE1-CB 3.14Å; E182-K329 IonicContact OE1-NZ 3.08Å; E182-K329 PolarHBondContact OE1-NZ 2.92Å; E182-K329 WeakPolarHBondContact OE2-CE 3.4Å; E182-K329 IonicContact OE2-NZ 3.53Å; E182-K329 PolarHBondContact OE2-NZ 2.95Å
183E93.8Very high96.4Very high52 Ų5217.5 Ų17.524%0.2439%0.087CC..Hα-helixtrans-58.9-44.8177.1-173.5178.7-156.800111.8F94 S126 Y128 C179 H185 E186 A187F94-E183 HydrophobicContact CE1-CG 3.81Å; F94-E183 HydrophobicContact CZ-CG 4.39Å; S126-E183 WeakPolarHBondContact CA-OE1 3.24Å; S126-E183 WeakPolarHBondContact CB-OE1 3.26Å; S126-E183 WeakPolarHBondContact CB-OE2 3.43Å; S126-E183 PolarHBondContact OG-OE1 3Å; S126-E183 PolarHBondContact OG-OE2 3.35Å; Y128-E183 VanDerWaalsContact CD2-OE2 3.3Å; Y128-E183 WeakPolarHBondContact CD2-OE2 3.27Å; C179-E183 PolarHBondContact O-N 2.82Å; E183-H185 PolarHBondContact O-N 2.96Å; E183-E186 PolarHBondContact O-N 2.93Å; E183-A187 WeakPolarHBondContact O-CB 3.28Å; E183-A187 PolarHBondContact O-N 3.26Å
184L95.2Very high96.5Very high4 Ų417.6 Ų17.62%0.0219%0.088CC..Hα-helixtrans-61.3-42.3174.5-174.768.2000112.9V90 F94 A180 L181 E182 E186 A187 G188 Y189 H191 F216V90-L184 HydrophobicContact CG1-CD1 3.85Å; F94-L184 HydrophobicContact CE2-CD1 3.9Å; F94-L184 HydrophobicContact CZ-CD1 4.15Å; A180-L184 WeakPolarHBondContact O-CB 3.49Å; A180-L184 PolarHBondContact O-N 3.48Å; L181-L184 PolarHBondContact O-N 3.25Å; E182-L184 PolarHBondContact O-N 3.09Å; L184-E186 VanDerWaalsContact C-N 3.34Å; L184-A187 WeakPolarHBondContact O-CB 3.29Å; L184-A187 PolarHBondContact O-N 3.36Å; L184-G188 PolarHBondContact O-N 3.04Å; L184-Y189 CarbonylContact C-O 3.52Å; L184-Y189 PolarHBondContact O-N 2.68Å; L184-Y189 VanDerWaalsContact O-N 3.11Å; L184-Y189 VanDerWaalsContact O-O 3.08Å; L184-H191 HydrophobicContact CD2-CB 3.68Å; L184-F216 HydrophobicContact CD1-CE1 4.48Å
185H96.7Very high96.5Very high1 Ų119.1 Ų19.11%0.0059%0.094CC..Hα-helixtrans-68.1-35.4178.5-68172.3000111.7L181 E182 E183 G188 Y189 Y222 R257 D260 Y325L181-H185 VanDerWaalsContact O-CB 3.25Å; L181-H185 WeakPolarHBondContact O-CB 3.27Å; L181-H185 PolarHBondContact O-CD2 2.6Å; L181-H185 VanDerWaalsContact O-CD2 3.29Å; L181-H185 PolarHBondContact O-N 3.45Å; L181-H185 PolarHBondContact O-ND1 3.26Å; E182-H185 CarbonylContact O-C 3.53Å; E182-H185 PolarHBondContact O-N 3.26Å; E182-H185 VanDerWaalsContact O-N 3.14Å; E183-H185 PolarHBondContact O-N 2.96Å; H185-G188 PolarHBondContact O-N 3.47Å; H185-G188 VanDerWaalsContact O-N 3.09Å; H185-Y189 WeakPolarHBondContact CA-O 3.27Å; H185-Y189 PolarHBondContact CD2-O 3.38Å; H185-Y222 VanDerWaalsContact O-CE1 3.27Å; H185-Y222 WeakPolarHBondContact O-CE1 3.25Å; H185-Y222 PolarHBondContact O-OH 2.81Å; H185-R257 HydrophobicContact CB-CG 4.12Å; H185-D260 IonicContact NE2-OD2 2.91Å; H185-D260 PolarHBondContact NE2-OD2 2.93Å; H185-D260 VanDerWaalsContact NE2-OD2 3.16Å; H185-Y325 VanDerWaalsContact CB-OH 3.28Å; H185-Y325 WeakPolarHBondContact CB-OH 3.37Å; H185-Y325 AromaticContact ND1-CE1 3.92Å; H185-Y325 AromaticContact ND1-CZ 3.71Å; H185-Y325 PolarHBondContact ND1-OH 3.13Å
186E93.7Very high96.5Very high120 Ų12018 Ų1856%0.5619%0.089SC*.Hα-helixtrans-70.6-33.6175.1-72.9-176.4161.100112.2E182 E183 L184 G188 K322E182-E186 HydrophobicContact CG-CG 4.48Å; E182-E186 WeakPolarHBondContact O-CB 3.25Å; E182-E186 WeakPolarHBondContact O-CG 3.07Å; E182-E186 PolarHBondContact O-N 3.48Å; E183-E186 PolarHBondContact O-N 2.93Å; L184-E186 VanDerWaalsContact C-N 3.34Å; E186-G188 PolarHBondContact O-N 3.46Å; E186-G188 VanDerWaalsContact O-N 3.13Å; E186-K322 IonicContact OE1-NZ 2.65Å
187A91.3Very high96.5Very high24 Ų2419.3 Ų19.320%0.19810%0.101CC..THydrogen-bonded Turntrans-66.4-5.4167.300000113.7V93 F94 E183 L184 Y189V93-A187 HydrophobicContact CG1-CB 3.79Å; F94-A187 HydrophobicContact CE1-CB 3.9Å; F94-A187 HydrophobicContact CE2-CB 4.48Å; F94-A187 HydrophobicContact CZ-CB 3.66Å; E183-A187 WeakPolarHBondContact O-CB 3.28Å; E183-A187 PolarHBondContact O-N 3.26Å; L184-A187 WeakPolarHBondContact O-CB 3.29Å; L184-A187 PolarHBondContact O-N 3.36Å; A187-Y189 WeakPolarHBondContact O-CD2 3.35Å
188G94.5Very high96.4Very high4 Ų419.6 Ų19.64%0.04110%0.102CC..THydrogen-bonded Turntrans88.313.5174.800000114.9L184 H185 E186 K221 Y222L184-G188 PolarHBondContact O-N 3.04Å; H185-G188 PolarHBondContact O-N 3.47Å; H185-G188 VanDerWaalsContact O-N 3.09Å; E186-G188 PolarHBondContact O-N 3.46Å; E186-G188 VanDerWaalsContact O-N 3.13Å; G188-K221 CarbonylContact O-C 3.58Å; G188-K221 WeakPolarHBondContact O-CA 3.39Å; G188-K221 WeakPolarHBondContact O-CG 3.47Å; G188-Y222 WeakPolarHBondContact O-CD1 3.49Å; G188-Y222 PolarHBondContact O-N 2.76Å
189Y96.5Very high96.4Very high22 Ų2219.6 Ų19.69%0.08610%0.102CC..EExtended strand (participates in β ladder)trans-112.1153.3178.5-69.9-97.9000111.8V90 V93 L184 H185 A187 C219 R220 K221V90-Y189 HydrophobicContact CG2-CD1 3.59Å; V90-Y189 HydrophobicContact CG2-CE1 3.81Å; V90-Y189 HydrophobicContact CG2-CG 4.02Å; V93-Y189 HydrophobicContact CG2-CE2 3.96Å; L184-Y189 CarbonylContact C-O 3.52Å; L184-Y189 PolarHBondContact O-N 2.68Å; L184-Y189 VanDerWaalsContact O-N 3.11Å; L184-Y189 VanDerWaalsContact O-O 3.08Å; H185-Y189 WeakPolarHBondContact CA-O 3.27Å; H185-Y189 PolarHBondContact CD2-O 3.38Å; A187-Y189 WeakPolarHBondContact O-CD2 3.35Å; Y189-C219 HydrophobicContact CD1-CB 4.34Å; Y189-R220 CarbonylContact C-O 3.52Å; Y189-R220 WeakPolarHBondContact CA-O 3.42Å; Y189-K221 HydrophobicContact CD1-CB 4.08Å; Y189-K221 HydrophobicContact CE1-CB 3.75Å; Y189-K221 HydrophobicContact CE1-CG 4.22Å; Y189-K221 HydrophobicContact CE2-CG 4.17Å
190I98.1Very high96.3Very high0 Ų018.9 Ų18.90%010%0.097CC..EExtended strand (participates in β ladder)trans-114.9145.2163.553171.3000108.1R192 C219 R220 Y222 L255 R257 D260I190-R192 HydrophobicContact CB-CG 4.44Å; I190-R192 HydrophobicContact CD1-CG 3.7Å; I190-R192 HydrophobicContact CG1-CG 3.85Å; I190-C219 CarbonylContact O-C 3.58Å; I190-C219 WeakPolarHBondContact O-CA 3.15Å; I190-C219 WeakPolarHBondContact O-CB 3.36Å; I190-R220 HydrophobicContact CD1-CB 4.41Å; I190-R220 HydrophobicContact CG1-CB 4.03Å; I190-R220 WeakPolarHBondContact CG1-O 3.32Å; I190-R220 PolarHBondContact N-O 2.79Å; I190-R220 PolarHBondContact O-N 3.24Å; I190-Y222 HydrophobicContact CG2-CD1 3.73Å; I190-Y222 HydrophobicContact CG2-CE1 4.28Å; I190-Y222 HydrophobicContact CG2-CG 4.11Å; I190-L255 HydrophobicContact CD1-CB 4.22Å; I190-L255 WeakPolarHBondContact CD1-O 3.14Å; I190-R257 HydrophobicContact CG2-CG 3.96Å; I190-D260 WeakPolarHBondContact CA-OD2 3.14Å; I190-D260 WeakPolarHBondContact CB-OD2 3.46Å
191H98.1Very high96.1Very high0 Ų019.1 Ų19.10%010%0.098CC..  trans-79.2-44.9-175.1-167.5-50.1000112.8L181 L184 D193 I194 D215 L218 D260L181-H191 HydrophobicContact CD2-CB 4.39Å; L184-H191 HydrophobicContact CD2-CB 3.68Å; H191-D193 PolarHBondContact ND1-N 3.04Å; H191-D193 PolarHBondContact O-N 3.12Å; H191-I194 HydrophobicContact CB-CD1 3.75Å; H191-I194 HydrophobicContact CB-CG1 4.08Å; H191-I194 VanDerWaalsContact CD2-CD1 3.47Å; H191-I194 WeakPolarHBondContact CD2-CD1 3.32Å; H191-D215 PolarHBondContact CE1-O 2.83Å; H191-D215 VanDerWaalsContact CE1-O 3.24Å; H191-L218 CarbonylContact O-C 3.44Å; H191-D260 PolarHBondContact N-OD2 2.79Å
192R98Very high95.6Very high39 Ų3919.2 Ų19.215%0.14710%0.099CC..SBendtrans64.35.4-178.4-52.2-170.7-66.5168.9-2.6117I190 L218 C219 G240 L255 D260I190-R192 HydrophobicContact CB-CG 4.44Å; I190-R192 HydrophobicContact CD1-CG 3.7Å; I190-R192 HydrophobicContact CG1-CG 3.85Å; R192-L218 PolarHBondContact NE-O 3.5Å; R192-L218 PolarHBondContact NH2-O 2.97Å; R192-C219 PolarHBondContact NH2-O 2.92Å; R192-G240 WeakPolarHBondContact O-CA 3.32Å; R192-L255 HydrophobicContact CB-CD1 4.16Å; R192-L255 HydrophobicContact CG-CB 4.22Å; R192-L255 HydrophobicContact CG-CD1 4.17Å; R192-D260 WeakPolarHBondContact CA-OD1 3.39Å; R192-D260 PolarHBondContact N-OD1 2.96Å
193D97.7Very high94.9Very high10 Ų1018.6 Ų18.65%0.05310%0.097CC..  trans-148.942176.7-160.325.1000113.8H191 K195 L218 G240 T241H191-D193 PolarHBondContact ND1-N 3.04Å; H191-D193 PolarHBondContact O-N 3.12Å; D193-K195 WeakPolarHBondContact O-CG 3.34Å; D193-K195 PolarHBondContact O-N 3.11Å; D193-K195 VanDerWaalsContact O-N 3.16Å; D193-K195 IonicContact OD1-NZ 3.33Å; D193-K195 VanDerWaalsContact OD2-CE 3.28Å; D193-K195 WeakPolarHBondContact OD2-CE 3.3Å; D193-K195 IonicContact OD2-NZ 2.82Å; D193-K195 PolarHBondContact OD2-NZ 3.21Å; D193-L218 HydrophobicContact CB-CB 4.33Å; D193-L218 HydrophobicContact CB-CD1 3.69Å; D193-G240 VanDerWaalsContact OD1-CA 3.25Å; D193-G240 WeakPolarHBondContact OD1-CA 3.46Å; D193-T241 WeakPolarHBondContact OD1-CB 3.37Å; D193-T241 PolarHBondContact OD1-N 3.35Å; D193-T241 PolarHBondContact OD1-OG1 3.03Å
194I98.5Very high93.5Very high2 Ų217.5 Ų17.51%0.019%0.094CC..  trans-63.1118.4175.7-61.4-62.1000110.6L181 H191 L213 Y244 D260 V267L181-I194 HydrophobicContact CD1-CD1 4.29Å; L181-I194 HydrophobicContact CD1-CG1 4.16Å; L181-I194 HydrophobicContact CD2-CD1 3.57Å; L181-I194 HydrophobicContact CD2-CG1 3.86Å; L181-I194 HydrophobicContact CG-CD1 4.18Å; L181-I194 HydrophobicContact CG-CG1 4.49Å; H191-I194 HydrophobicContact CB-CD1 3.75Å; H191-I194 HydrophobicContact CB-CG1 4.08Å; H191-I194 VanDerWaalsContact CD2-CD1 3.47Å; H191-I194 WeakPolarHBondContact CD2-CD1 3.32Å; I194-L213 HydrophobicContact CD1-CD1 4.21Å; I194-L213 HydrophobicContact CD1-CD2 4.24Å; I194-Y244 WeakPolarHBondContact O-CB 3.26Å; I194-D260 HydrophobicContact CG1-CB 4.32Å; I194-V267 HydrophobicContact CG2-CG2 4.34Å
195K97.6Very high91.4Very high31 Ų3121.1 Ų21.114%0.13512%0.119CC..  trans-157.7154.7-178.962.6-167179.2-167.70110.5D193 S197 N198 I199 T241 Y244D193-K195 WeakPolarHBondContact O-CG 3.34Å; D193-K195 PolarHBondContact O-N 3.11Å; D193-K195 VanDerWaalsContact O-N 3.16Å; D193-K195 IonicContact OD1-NZ 3.33Å; D193-K195 VanDerWaalsContact OD2-CE 3.28Å; D193-K195 WeakPolarHBondContact OD2-CE 3.3Å; D193-K195 IonicContact OD2-NZ 2.82Å; D193-K195 PolarHBondContact OD2-NZ 3.21Å; K195-S197 WeakPolarHBondContact CD-OG 3.09Å; K195-S197 WeakPolarHBondContact CE-OG 3.34Å; K195-S197 WeakPolarHBondContact CG-OG 3.26Å; K195-S197 PolarHBondContact O-N 3.13Å; K195-N198 WeakPolarHBondContact CE-ND2 3.35Å; K195-N198 WeakPolarHBondContact CE-OD1 3.41Å; K195-N198 HydrophobicContact CG-CB 4.01Å; K195-N198 PolarHBondContact O-N 3.36Å; K195-I199 WeakPolarHBondContact O-CD1 3.31Å; K195-I199 WeakPolarHBondContact O-CG1 3.42Å; K195-T241 HydrophobicContact CD-CG2 4.47Å; K195-T241 WeakPolarHBondContact CD-OG1 2.92Å; K195-T241 PolarHBondContact NZ-OG1 2.97Å; K195-Y244 HydrophobicContact CB-CD2 3.38Å; K195-Y244 HydrophobicContact CB-CE2 3.42Å; K195-Y244 VanDerWaalsContact CB-CE2 3.42Å; K195-Y244 HydrophobicContact CB-CG 4.28Å
196L97.5Very high89.4Confident0 Ų024.1 Ų24.10%014%0.136CC..G310 helixtrans-57.8-20.8179.9-71.4-179.8000115L153 S154 N198 V267 E270 M271L153-L196 HydrophobicContact CB-CB 4.35Å; L153-L196 HydrophobicContact CB-CD2 3.72Å; L153-L196 HydrophobicContact CD1-CD2 4.06Å; L153-L196 PolarHBondContact N-O 3.32Å; S154-L196 PolarHBondContact N-O 3.13Å; L196-N198 VanDerWaalsContact C-N 3.34Å; L196-V267 HydrophobicContact CD2-CG1 3.53Å; L196-V267 HydrophobicContact CG-CG1 4.02Å; L196-E270 WeakPolarHBondContact CD1-OE2 3.49Å; L196-M271 HydrophobicContact CD2-CG 3.76Å; L196-M271 HydrophobicContact CD2-SD 4.01Å
197S95.9Very high87.3Confident48 Ų4819.5 Ų19.534%0.33612%0.116SC..G310 helixtrans-82.4-11.4176.963.60000113.7K195 F214K195-S197 WeakPolarHBondContact CD-OG 3.09Å; K195-S197 WeakPolarHBondContact CE-OG 3.34Å; K195-S197 WeakPolarHBondContact CG-OG 3.26Å; K195-S197 PolarHBondContact O-N 3.13Å; S197-F214 WeakPolarHBondContact O-CZ 3.12Å
198N97.2Very high85.3Confident7 Ų726.7 Ų26.74%0.03714%0.143CC..G310 helixtrans-109.521.4179.2-72.527.9000111.1K195 L196 F214 D215K195-N198 WeakPolarHBondContact CE-ND2 3.35Å; K195-N198 WeakPolarHBondContact CE-OD1 3.41Å; K195-N198 HydrophobicContact CG-CB 4.01Å; K195-N198 PolarHBondContact O-N 3.36Å; L196-N198 VanDerWaalsContact C-N 3.34Å; N198-F214 WeakPolarHBondContact CB-O 3.17Å; N198-F214 WeakPolarHBondContact O-CD1 3.37Å; N198-F214 PolarHBondContact O-N 2.99Å; N198-F214 VanDerWaalsContact O-N 3.13Å; N198-D215 WeakPolarHBondContact ND2-CB 3.46Å; N198-D215 PolarHBondContact ND2-OD2 3.46Å
199I97.2Very high83.4Confident1 Ų134.8 Ų34.81%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-135.7122.9-179.5-52164.5000106.9S152 L153 I177 K195 L211 F212 L213 F214 V267S152-I199 CarbonylContact C-O 3.56Å; S152-I199 VanDerWaalsContact CA-O 3.27Å; S152-I199 WeakPolarHBondContact CA-O 3.33Å; L153-I199 HydrophobicContact CD1-CB 4.05Å; L153-I199 HydrophobicContact CD1-CG2 3.54Å; L153-I199 HydrophobicContact CG-CB 4.22Å; L153-I199 HydrophobicContact CG-CG2 3.94Å; L153-I199 PolarHBondContact N-O 2.82Å; I177-I199 HydrophobicContact CD1-CD1 3.69Å; I177-I199 HydrophobicContact CD1-CG2 4.28Å; I177-I199 HydrophobicContact CG1-CD1 4Å; I177-I199 HydrophobicContact CG1-CG2 4.02Å; I177-I199 HydrophobicContact CG2-CD1 4.32Å; K195-I199 WeakPolarHBondContact O-CD1 3.31Å; K195-I199 WeakPolarHBondContact O-CG1 3.42Å; I199-L211 HydrophobicContact CG2-CB 4.18Å; I199-L211 HydrophobicContact CG2-CD1 4.22Å; I199-F212 WeakPolarHBondContact CA-O 3.33Å; I199-L213 HydrophobicContact CD1-CD2 4.45Å; I199-L213 HydrophobicContact CG1-CD2 3.75Å; I199-F214 VanDerWaalsContact N-CE1 3.3Å; I199-V267 HydrophobicContact CD1-CG1 4.37Å
200A94.5Very high82.5Confident0 Ų034.1 Ų34.10%018%0.178CC..EExtended strand (participates in β ladder)trans-145147.4-179.300000111.2L149 G150 F212 F214L149-A200 HydrophobicContact CB-CB 3.98Å; L149-A200 HydrophobicContact CD1-CB 3.96Å; G150-A200 WeakPolarHBondContact O-CB 3.44Å; A200-F212 PolarHBondContact N-O 2.88Å; A200-F212 VanDerWaalsContact N-O 3.11Å; A200-F212 PolarHBondContact O-N 3.39Å; A200-F214 HydrophobicContact CB-CD1 4.29Å; A200-F214 HydrophobicContact CB-CE1 3.68Å
201P91.9Very high82.2Confident9 Ų934.3 Ų34.36%0.05818%0.178CC..EExtended strand (participates in β ladder)trans-68.6157.3164.632.5-33.6000110.4G150 P151 L211G150-P201 WeakPolarHBondContact CA-O 3.48Å; G150-P201 PolarHBondContact N-O 3.5Å; P151-P201 VanDerWaalsContact O-CD 3.26Å; P151-P201 WeakPolarHBondContact O-CD 3.44Å; P201-L211 HydrophobicContact CB-CD2 4.28Å
202G86.6Confident82Confident2 Ų235.1 Ų35.12%0.02118%0.182CC..BIsolated β-bridgetrans-64.8170.9165.100000112.6
203L82.9Confident81.9Confident14 Ų1433.5 Ų33.57%0.07318%0.176CC..PPolyproline II helixtrans-68.4156.1166.2-59.6170.7000109L148 S205 D206 S207 Y366 Y370L148-L203 HydrophobicContact CB-CD1 4.15Å; L148-L203 HydrophobicContact CD2-CD1 3.93Å; L148-L203 HydrophobicContact CG-CD1 3.99Å; L203-S205 PolarHBondContact O-N 3.25Å; L203-D206 PolarHBondContact O-N 2.97Å; L203-S207 PolarHBondContact O-N 2.78Å; L203-Y366 HydrophobicContact CD2-CE1 4.31Å; L203-Y370 HydrophobicContact CD1-CD1 3.92Å; L203-Y370 HydrophobicContact CD1-CD2 3.9Å; L203-Y370 HydrophobicContact CD1-CE1 4.36Å; L203-Y370 HydrophobicContact CD1-CE2 4.38Å; L203-Y370 HydrophobicContact CD1-CG 3.69Å; L203-Y370 HydrophobicContact CD2-CD2 3.83Å; L203-Y370 HydrophobicContact CD2-CE2 4.18Å; L203-Y370 HydrophobicContact CD2-CG 4.42Å; L203-Y370 HydrophobicContact CG-CD2 4.39Å
204V64.3Low81.7Confident30 Ų3035.4 Ų35.418%0.18218%0.184CC..THydrogen-bonded Turntrans-57.6-6-156.2123.20000119S207 C367 I368 F371V204-S207 VanDerWaalsContact CA-OG 3.25Å; V204-S207 WeakPolarHBondContact CA-OG 3.48Å; V204-S207 WeakPolarHBondContact CB-OG 3.22Å; V204-S207 PolarHBondContact O-OG 2.81Å; V204-C367 HydrophobicContact CG2-CB 3.75Å; V204-C367 VanDerWaalsContact CG2-O 3.31Å; V204-C367 WeakPolarHBondContact CG2-O 3.4Å; V204-I368 HydrophobicContact CG2-CG1 4.21Å; V204-F371 HydrophobicContact CB-CD2 3.74Å; V204-F371 HydrophobicContact CB-CE1 4.25Å; V204-F371 HydrophobicContact CB-CE2 3.42Å; V204-F371 VanDerWaalsContact CB-CE2 3.42Å; V204-F371 HydrophobicContact CB-CG 4.41Å; V204-F371 HydrophobicContact CB-CZ 3.81Å; V204-F371 HydrophobicContact CG1-CD1 3.64Å; V204-F371 HydrophobicContact CG1-CD2 3.39Å; V204-F371 HydrophobicContact CG1-CE1 3.73Å; V204-F371 HydrophobicContact CG1-CE2 3.52Å; V204-F371 HydrophobicContact CG1-CG 3.6Å; V204-F371 HydrophobicContact CG1-CZ 3.78Å; V204-F371 HydrophobicContact CG2-CD2 3.57Å; V204-F371 HydrophobicContact CG2-CE2 3.43Å; V204-F371 VanDerWaalsContact CG2-CE2 3.43Å; V204-F371 HydrophobicContact CG2-CZ 4.31Å
205S51.4Low81.5Confident80 Ų8036.8 Ų36.856%0.55919%0.192SC*.THydrogen-bonded Turntrans-79.6-33.2-179.938.50000108.5L203 F371L203-S205 PolarHBondContact O-N 3.25Å; S205-F371 VanDerWaalsContact CA-CZ 3.49Å; S205-F371 VanDerWaalsContact CB-CE1 3.4Å
206D54.4Low81.4Confident64 Ų6435.5 Ų35.534%0.34219%0.186SC..THydrogen-bonded Turntrans-99.6-12.7-179.9-53.1-26.3000110.4Q147 L203 K208 F209Q147-D206 PolarHBondContact NE2-OD2 2.72Å; L203-D206 PolarHBondContact O-N 2.97Å; D206-K208 PolarHBondContact O-N 2.95Å; D206-F209 PolarHBondContact O-N 2.85Å
207S49.6Very low81.3Confident22 Ų2235.9 Ų35.915%0.15419%0.19CC..THydrogen-bonded Turntrans-69.2-0.3-171.4760000116.3L203 V204 F209L203-S207 PolarHBondContact O-N 2.78Å; V204-S207 VanDerWaalsContact CA-OG 3.25Å; V204-S207 WeakPolarHBondContact CA-OG 3.48Å; V204-S207 WeakPolarHBondContact CB-OG 3.22Å; V204-S207 PolarHBondContact O-OG 2.81Å; S207-F209 VanDerWaalsContact C-N 3.28Å
208K49.6Very low81.2Confident176 Ų17634.6 Ų34.677%0.76518%0.179SC*.THydrogen-bonded Turntrans-75.9-15.4163.5-82.1-169.7176.1-174.40112.6D206D206-K208 PolarHBondContact O-N 2.95Å
209F53.6Low81.2Confident173 Ų17334.4 Ų34.476%0.75918%0.179SC*.THydrogen-bonded Turntrans-137.70.8-160.4-66.8-67.5000119.4D206 S207D206-F209 PolarHBondContact O-N 2.85Å; S207-F209 VanDerWaalsContact C-N 3.28Å
210G77.4Confident81.1Confident9 Ų936.4 Ų36.49%0.09319%0.186CC..  trans-177.6145.1173.200000119.1
211L92.5Very high81.1Confident3 Ų339.6 Ų39.62%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-81.3138150.3-65.7177.2000109.5Y128 L153 C173 Q176 I177 I199 P201 W349Y128-L211 WeakPolarHBondContact CD1-O 3.44Å; L153-L211 HydrophobicContact CD1-CD1 4.03Å; L153-L211 HydrophobicContact CD1-CD2 4.41Å; L153-L211 HydrophobicContact CD2-CD2 3.87Å; L153-L211 HydrophobicContact CG-CD2 4.33Å; C173-L211 HydrophobicContact CB-CD1 3.81Å; Q176-L211 HydrophobicContact CB-CB 4.42Å; Q176-L211 HydrophobicContact CB-CD1 4.27Å; I177-L211 HydrophobicContact CG1-CD1 4.27Å; I199-L211 HydrophobicContact CG2-CB 4.18Å; I199-L211 HydrophobicContact CG2-CD1 4.22Å; P201-L211 HydrophobicContact CB-CD2 4.28Å; L211-W349 HydrophobicContact CD2-CZ2 4.48Å
212F93.9Very high81.4Confident17 Ų1739.4 Ų39.48%0.07520%0.198CC..EExtended strand (participates in β ladder)trans-107136.8176.8-62.9-92.3000110.2Y128 P130 L149 I199 A200Y128-F212 CarbonylContact O-C 3.43Å; Y128-F212 VanDerWaalsContact O-CA 3.27Å; Y128-F212 WeakPolarHBondContact O-CA 3.37Å; P130-F212 HydrophobicContact CG-CB 4.29Å; L149-F212 HydrophobicContact CD1-CB 3.74Å; L149-F212 HydrophobicContact CD1-CG 4.43Å; L149-F212 HydrophobicContact CD2-CB 4.03Å; L149-F212 HydrophobicContact CD2-CD1 4.44Å; L149-F212 HydrophobicContact CD2-CD2 3.67Å; L149-F212 HydrophobicContact CD2-CE2 4.25Å; L149-F212 HydrophobicContact CD2-CG 3.78Å; I199-F212 WeakPolarHBondContact CA-O 3.33Å; A200-F212 PolarHBondContact N-O 2.88Å; A200-F212 VanDerWaalsContact N-O 3.11Å; A200-F212 PolarHBondContact O-N 3.39Å
213L95.7Very high81.8Confident5 Ų541 Ų413%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-82.7133.7161.3-64.1-174.8000108.6Y128 P130 I177 A180 L181 I194 I199 F216Y128-L213 PolarHBondContact O-N 2.97Å; P130-L213 WeakPolarHBondContact CD-O 3.36Å; I177-L213 HydrophobicContact CG2-CD2 4.29Å; A180-L213 HydrophobicContact CB-CD1 3.53Å; A180-L213 HydrophobicContact CB-CG 3.63Å; L181-L213 HydrophobicContact CD2-CD1 4.18Å; L181-L213 HydrophobicContact CG-CD1 4.18Å; I194-L213 HydrophobicContact CD1-CD1 4.21Å; I194-L213 HydrophobicContact CD1-CD2 4.24Å; I199-L213 HydrophobicContact CD1-CD2 4.45Å; I199-L213 HydrophobicContact CG1-CD2 3.75Å; L213-F216 HydrophobicContact CB-CE1 4.26Å; L213-F216 HydrophobicContact CB-CZ 4.43Å; L213-F216 VanDerWaalsContact O-CZ 3.29Å; L213-F216 WeakPolarHBondContact O-CZ 3.46Å
214F94.1Very high82.3Confident51 Ų5144 Ų4422%0.22422%0.222CC..  trans-139.2172.7176.767.9-88.3000111P130 L149 S197 N198 I199 A200P130-F214 HydrophobicContact CG-CB 4.02Å; L149-F214 HydrophobicContact CD1-CB 4.19Å; L149-F214 HydrophobicContact CD1-CD1 3.7Å; L149-F214 HydrophobicContact CD1-CE1 4.31Å; L149-F214 HydrophobicContact CD1-CG 4.14Å; S197-F214 WeakPolarHBondContact O-CZ 3.12Å; N198-F214 WeakPolarHBondContact CB-O 3.17Å; N198-F214 WeakPolarHBondContact O-CD1 3.37Å; N198-F214 PolarHBondContact O-N 2.99Å; N198-F214 VanDerWaalsContact O-N 3.13Å; I199-F214 VanDerWaalsContact N-CE1 3.3Å; A200-F214 HydrophobicContact CB-CD1 4.29Å; A200-F214 HydrophobicContact CB-CE1 3.68Å
215D94.5Very high83.4Confident31 Ų3149.6 Ų49.617%0.16625%0.25CS..  trans65.273.7-176.4-179.436.9000112K73 H191 N198 G217K73-D215 IonicContact NZ-OD1 2.94Å; K73-D215 PolarHBondContact NZ-OD1 3.46Å; H191-D215 PolarHBondContact CE1-O 2.83Å; H191-D215 VanDerWaalsContact CE1-O 3.24Å; N198-D215 WeakPolarHBondContact ND2-CB 3.46Å; N198-D215 PolarHBondContact ND2-OD2 3.46Å; D215-G217 VanDerWaalsContact C-N 3.3Å; D215-G217 PolarHBondContact O-N 2.81Å
216F95.1Very high85.3Confident4 Ų451.4 Ų51.42%0.01825%0.254CS..  trans-86.97.1-178.7-58.6-62.6000113.4V86 E87 V90 Y91 C129 L184 L213 L218 C219V86-F216 WeakPolarHBondContact CG1-O 3.35Å; E87-F216 HydrophobicContact CB-CB 4.4Å; E87-F216 HydrophobicContact CG-CB 3.93Å; E87-F216 PolarHBondContact OE1-N 2.81Å; V90-F216 HydrophobicContact CB-CB 4.13Å; V90-F216 HydrophobicContact CB-CD2 4.38Å; V90-F216 HydrophobicContact CB-CG 4.19Å; V90-F216 HydrophobicContact CG1-CB 4.26Å; V90-F216 HydrophobicContact CG1-CD1 4Å; V90-F216 HydrophobicContact CG1-CD2 3.95Å; V90-F216 HydrophobicContact CG1-CE1 4.32Å; V90-F216 HydrophobicContact CG1-CE2 4.29Å; V90-F216 HydrophobicContact CG1-CG 3.8Å; V90-F216 HydrophobicContact CG1-CZ 4.45Å; V90-F216 HydrophobicContact CG2-CB 4.16Å; Y91-F216 HydrophobicContact CD1-CE2 4.44Å; Y91-F216 HydrophobicContact CD2-CD2 4.34Å; Y91-F216 HydrophobicContact CE1-CD2 4.24Å; Y91-F216 AromaticContact CE1-CE2 3.78Å; Y91-F216 HydrophobicContact CE1-CE2 3.78Å; Y91-F216 AromaticContact CE2-CD2 3.79Å; Y91-F216 HydrophobicContact CE2-CD2 3.79Å; Y91-F216 HydrophobicContact CE2-CE2 4.16Å; Y91-F216 AromaticContact CZ-CD2 3.72Å; Y91-F216 AromaticContact CZ-CE2 3.61Å; C129-F216 WeakPolarHBondContact SG-CE2 3.49Å; L184-F216 HydrophobicContact CD1-CE1 4.48Å; L213-F216 HydrophobicContact CB-CE1 4.26Å; L213-F216 HydrophobicContact CB-CZ 4.43Å; L213-F216 VanDerWaalsContact O-CZ 3.29Å; L213-F216 WeakPolarHBondContact O-CZ 3.46Å; F216-L218 PolarHBondContact O-N 2.77Å; F216-C219 HydrophobicContact CB-CB 4.4Å; F216-C219 VanDerWaalsContact CB-SG 3.57Å; F216-C219 VanDerWaalsContact CD1-SG 3.6Å; F216-C219 WeakPolarHBondContact O-CB 3.45Å; F216-C219 PolarHBondContact O-N 2.94Å; F216-C219 PolarHBondContact O-SG 2.91Å; F216-C219 VanDerWaalsContact O-SG 3.38Å
217G94.1Very high87Confident8 Ų850.8 Ų50.88%0.08226%0.262CS..THydrogen-bonded Turntrans-60.9-17.7-174.100000114.4E87 D215E87-G217 VanDerWaalsContact CG-N 3.28Å; E87-G217 PolarHBondContact OE1-N 3.44Å; D215-G217 VanDerWaalsContact C-N 3.3Å; D215-G217 PolarHBondContact O-N 2.81Å
218L95.1Very high89.2Confident20 Ų2053.4 Ų53.411%0.10528%0.277CS..THydrogen-bonded Turntrans-100.44.7173.1-69.6179.8000113.9F55 H191 R192 D193 F216F55-L218 HydrophobicContact CE1-CD2 4.47Å; F55-L218 HydrophobicContact CE2-CD2 4.49Å; F55-L218 HydrophobicContact CE2-CG 4.47Å; F55-L218 HydrophobicContact CZ-CD2 3.83Å; F55-L218 HydrophobicContact CZ-CG 4.27Å; H191-L218 CarbonylContact O-C 3.44Å; R192-L218 PolarHBondContact NE-O 3.5Å; R192-L218 PolarHBondContact NH2-O 2.97Å; D193-L218 HydrophobicContact CB-CB 4.33Å; D193-L218 HydrophobicContact CB-CD1 3.69Å; F216-L218 PolarHBondContact O-N 2.77Å
219C96.6Very high91.5Very high4 Ų446.2 Ų46.23%0.02725%0.246CC..  trans-61.7162.6179-74.20000112.4V86 V90 Y189 I190 R192 F216V86-C219 HydrophobicContact CG1-CB 3.93Å; V86-C219 WeakPolarHBondContact CG1-O 3.39Å; V90-C219 HydrophobicContact CG2-CB 3.75Å; Y189-C219 HydrophobicContact CD1-CB 4.34Å; I190-C219 CarbonylContact O-C 3.58Å; I190-C219 WeakPolarHBondContact O-CA 3.15Å; I190-C219 WeakPolarHBondContact O-CB 3.36Å; R192-C219 PolarHBondContact NH2-O 2.92Å; F216-C219 HydrophobicContact CB-CB 4.4Å; F216-C219 VanDerWaalsContact CB-SG 3.57Å; F216-C219 VanDerWaalsContact CD1-SG 3.6Å; F216-C219 WeakPolarHBondContact O-CB 3.45Å; F216-C219 PolarHBondContact O-N 2.94Å; F216-C219 PolarHBondContact O-SG 2.91Å; F216-C219 VanDerWaalsContact O-SG 3.38Å
220R95.4Very high93.5Very high43 Ų4340.8 Ų40.816%0.16222%0.222CC..EExtended strand (participates in β ladder)trans-147.1131.7171179176.3178.8-118.71.4110.5Y189 I190 Y222 D254Y189-R220 CarbonylContact C-O 3.52Å; Y189-R220 WeakPolarHBondContact CA-O 3.42Å; I190-R220 HydrophobicContact CD1-CB 4.41Å; I190-R220 HydrophobicContact CG1-CB 4.03Å; I190-R220 WeakPolarHBondContact CG1-O 3.32Å; I190-R220 PolarHBondContact N-O 2.79Å; I190-R220 PolarHBondContact O-N 3.24Å; R220-Y222 PolarHBondContact O-N 3.45Å; R220-D254 IonicContact CZ-OD1 2.63Å; R220-D254 IonicContact CZ-OD2 3.59Å; R220-D254 IonicContact NH1-OD1 2.81Å; R220-D254 PolarHBondContact NH1-OD1 2.96Å; R220-D254 VanDerWaalsContact NH1-OD1 3.1Å; R220-D254 IonicContact NH1-OD2 3.48Å; R220-D254 PolarHBondContact NH1-OD2 2.81Å; R220-D254 IonicContact NH2-OD2 2.72Å
221K95.5Very high94.5Very high67 Ų6745.9 Ų45.929%0.29125%0.248SC..EExtended strand (participates in β ladder)trans-67.4113.6168.5-158.3-179.2-173.9174.10109.6G188 Y189 I223 D225 K230G188-K221 CarbonylContact O-C 3.58Å; G188-K221 WeakPolarHBondContact O-CA 3.39Å; G188-K221 WeakPolarHBondContact O-CG 3.47Å; Y189-K221 HydrophobicContact CD1-CB 4.08Å; Y189-K221 HydrophobicContact CE1-CB 3.75Å; Y189-K221 HydrophobicContact CE1-CG 4.22Å; Y189-K221 HydrophobicContact CE2-CG 4.17Å; K221-I223 WeakPolarHBondContact CG-O 3.44Å; K221-D225 IonicContact NZ-OD1 2.88Å; K221-D225 PolarHBondContact NZ-OD1 2.97Å; K221-K230 WeakPolarHBondContact O-CE 3.47Å; K221-K230 PolarHBondContact O-NZ 3.03Å
222Y96.9Very high94.7Very high5 Ų550.1 Ų50.12%0.0227%0.267CS..  trans-98.8-14.7-17778.2-84.1000112.9H185 G188 I190 R220 H229 K230 R257H185-Y222 VanDerWaalsContact O-CE1 3.27Å; H185-Y222 WeakPolarHBondContact O-CE1 3.25Å; H185-Y222 PolarHBondContact O-OH 2.81Å; G188-Y222 WeakPolarHBondContact O-CD1 3.49Å; G188-Y222 PolarHBondContact O-N 2.76Å; I190-Y222 HydrophobicContact CG2-CD1 3.73Å; I190-Y222 HydrophobicContact CG2-CE1 4.28Å; I190-Y222 HydrophobicContact CG2-CG 4.11Å; R220-Y222 PolarHBondContact O-N 3.45Å; Y222-H229 AromaticContact CD2-CD2 3.43Å; Y222-H229 VanDerWaalsContact CD2-CD2 3.43Å; Y222-H229 WeakPolarHBondContact CD2-CD2 3.4Å; Y222-H229 AromaticContact CD2-CE1 3.97Å; Y222-H229 AromaticContact CD2-NE2 3.34Å; Y222-H229 VanDerWaalsContact CD2-NE2 3.34Å; Y222-H229 WeakPolarHBondContact CD2-NE2 3.49Å; Y222-H229 AromaticContact CE2-CD2 3.62Å; Y222-H229 AromaticContact CE2-NE2 3.85Å; Y222-K230 WeakPolarHBondContact O-CB 3.4Å; Y222-K230 WeakPolarHBondContact O-CG 3.45Å; Y222-K230 PolarHBondContact O-N 3.1Å; Y222-R257 HydrophobicContact CE1-CG 4.29Å; Y222-R257 HydrophobicContact CE2-CG 4.18Å; Y222-R257 WeakPolarHBondContact OH-CD 3.49Å; Y222-R257 PolarHBondContact OH-NH1 2.94Å
223I94.8Very high94.8Very high34 Ų3454 Ų5417%0.17428%0.281CS..BIsolated β-bridgetrans-104.2144.9175.2-68.8-179000109.9K221 G227 V228K221-I223 WeakPolarHBondContact CG-O 3.44Å; I223-G227 VanDerWaalsContact CG2-C 3.46Å; I223-G227 VanDerWaalsContact CG2-CA 3.47Å; I223-V228 WeakPolarHBondContact CA-O 3.39Å
224L93Very high94.6Very high79 Ų7959.1 Ų59.141%0.41433%0.325SS..  trans-80.2163168.6-65.3173.5000110.4N226 G227 V228 K230L224-N226 VanDerWaalsContact CB-OD1 3.24Å; L224-N226 WeakPolarHBondContact CB-OD1 3.37Å; L224-N226 PolarHBondContact O-N 2.7Å; L224-G227 PolarHBondContact O-N 3.4Å; L224-V228 HydrophobicContact CD1-CB 4.35Å; L224-V228 PolarHBondContact N-O 3.05Å; L224-K230 HydrophobicContact CD2-CD 4.33Å; L224-K230 HydrophobicContact CD2-CG 3.85Å; L224-K230 HydrophobicContact CG-CG 3.9Å
225D87.4Confident94.2Very high147 Ų14761 Ų6179%0.78634%0.344SS*.THydrogen-bonded Turntrans-61.2-20.5-177.1-58.5-27.5000113.5K221 G227K221-D225 IonicContact NZ-OD1 2.88Å; K221-D225 PolarHBondContact NZ-OD1 2.97Å; D225-G227 VanDerWaalsContact C-N 3.3Å; D225-G227 PolarHBondContact O-N 3.47Å
226N91.4Very high94.1Very high118 Ų11860.5 Ų60.563%0.63134%0.342SS*.THydrogen-bonded Turntrans-84.68173.569.2-2.5000114.5L224 V228L224-N226 VanDerWaalsContact CB-OD1 3.24Å; L224-N226 WeakPolarHBondContact CB-OD1 3.37Å; L224-N226 PolarHBondContact O-N 2.7Å; N226-V228 VanDerWaalsContact C-N 3.31Å; N226-V228 PolarHBondContact O-N 3Å; N226-V228 VanDerWaalsContact OD1-CB 3.3Å; N226-V228 WeakPolarHBondContact OD1-CB 3.22Å; N226-V228 WeakPolarHBondContact OD1-CG2 3.47Å; N226-V228 PolarHBondContact OD1-N 2.84Å; N226-V228 VanDerWaalsContact OD1-N 3.07Å
227G90.7Very high93.9Very high50 Ų5062.4 Ų62.452%0.51536%0.362SS..SBendtrans84.3-5.618000000115.3I223 L224 D225I223-G227 VanDerWaalsContact CG2-C 3.46Å; I223-G227 VanDerWaalsContact CG2-CA 3.47Å; L224-G227 PolarHBondContact O-N 3.4Å; D225-G227 VanDerWaalsContact C-N 3.3Å; D225-G227 PolarHBondContact O-N 3.47Å
228V95.6Very high93.9Very high78 Ų7863.7 Ų63.747%0.47337%0.366SS..PPolyproline II helixtrans-77134-177.71780000111.1I223 L224 N226 K230I223-V228 WeakPolarHBondContact CA-O 3.39Å; L224-V228 HydrophobicContact CD1-CB 4.35Å; L224-V228 PolarHBondContact N-O 3.05Å; N226-V228 VanDerWaalsContact C-N 3.31Å; N226-V228 PolarHBondContact O-N 3Å; N226-V228 VanDerWaalsContact OD1-CB 3.3Å; N226-V228 WeakPolarHBondContact OD1-CB 3.22Å; N226-V228 WeakPolarHBondContact OD1-CG2 3.47Å; N226-V228 PolarHBondContact OD1-N 2.84Å; N226-V228 VanDerWaalsContact OD1-N 3.07Å; V228-K230 PolarHBondContact O-N 3.26Å
229H97.5Very high93.6Very high25 Ų2568.3 Ų68.312%0.11638%0.382CS..BIsolated β-bridgetrans-67125.7173.2-165.3-59.6000110.4Y222 F319 K320Y222-H229 AromaticContact CD2-CD2 3.43Å; Y222-H229 VanDerWaalsContact CD2-CD2 3.43Å; Y222-H229 WeakPolarHBondContact CD2-CD2 3.4Å; Y222-H229 AromaticContact CD2-CE1 3.97Å; Y222-H229 AromaticContact CD2-NE2 3.34Å; Y222-H229 VanDerWaalsContact CD2-NE2 3.34Å; Y222-H229 WeakPolarHBondContact CD2-NE2 3.49Å; Y222-H229 AromaticContact CE2-CD2 3.62Å; Y222-H229 AromaticContact CE2-NE2 3.85Å; H229-F319 AromaticContact CE1-CD1 3.77Å; H229-F319 AromaticContact CE1-CE1 3.39Å; H229-F319 WeakPolarHBondContact CE1-CE1 3.25Å; H229-F319 AromaticContact CE1-CZ 3.89Å; H229-F319 AromaticContact ND1-CE1 3.84Å; H229-F319 PolarHBondContact NE2-O 3.09Å; H229-K320 HydrophobicContact CB-CD 4.46Å; H229-K320 HydrophobicContact CB-CG 4.48Å
230K97Very high93.3Very high58 Ų5869 Ų6925%0.25239%0.39SS..PPolyproline II helixtrans-57.7151.1176.5-68.4175.7-178.2174.60111.2K221 Y222 L224 V228 F319K221-K230 WeakPolarHBondContact O-CE 3.47Å; K221-K230 PolarHBondContact O-NZ 3.03Å; Y222-K230 WeakPolarHBondContact O-CB 3.4Å; Y222-K230 WeakPolarHBondContact O-CG 3.45Å; Y222-K230 PolarHBondContact O-N 3.1Å; L224-K230 HydrophobicContact CD2-CD 4.33Å; L224-K230 HydrophobicContact CD2-CG 3.85Å; L224-K230 HydrophobicContact CG-CG 3.9Å; V228-K230 PolarHBondContact O-N 3.26Å; K230-F319 WeakPolarHBondContact O-CE1 3.41Å
231D96.9Very high93.3Very high117 Ų11769 Ų6963%0.62640%0.395SS*.PPolyproline II helixtrans-69.8153.7174.1-67.9-43.8000112.3R233 K320D231-R233 PolarHBondContact O-N 3.09Å; D231-K320 WeakPolarHBondContact OD1-CE 3.34Å; D231-K320 IonicContact OD1-NZ 3.46Å; D231-K320 PolarHBondContact OD1-NZ 3.01Å
232E96.7Very high93.3Very high92 Ų9267.3 Ų67.343%0.4339%0.391SS..PPolyproline II helixtrans-68.9124.6178.1-171.8165.5-171.400109.4D254 F319E232-D254 HydrophobicContact CG-CB 3.88Å; E232-F319 VanDerWaalsContact CA-CE1 3.47Å; E232-F319 HydrophobicContact CB-CD1 3.66Å; E232-F319 HydrophobicContact CB-CD2 4.36Å; E232-F319 HydrophobicContact CB-CE1 3.67Å; E232-F319 HydrophobicContact CB-CE2 4.39Å; E232-F319 HydrophobicContact CB-CG 4.02Å; E232-F319 HydrophobicContact CB-CZ 4.06Å; E232-F319 HydrophobicContact CG-CD1 4.22Å; E232-F319 HydrophobicContact CG-CD2 4.01Å; E232-F319 HydrophobicContact CG-CE1 4.29Å; E232-F319 HydrophobicContact CG-CE2 4.12Å; E232-F319 HydrophobicContact CG-CG 4.08Å; E232-F319 HydrophobicContact CG-CZ 4.25Å
233R96.2Very high93.3Very high98 Ų9871.1 Ų71.137%0.3741%0.406SS..PPolyproline II helixtrans-71.3137.9172.6-67.3175.8-69.2166.62.7110D231 S235 V236 D254D231-R233 PolarHBondContact O-N 3.09Å; R233-S235 VanDerWaalsContact C-N 3.28Å; R233-S235 PolarHBondContact O-N 3.41Å; R233-V236 HydrophobicContact CB-CG1 3.86Å; R233-D254 HydrophobicContact CB-CB 4.24Å; R233-D254 WeakPolarHBondContact CG-OD2 3.4Å; R233-D254 IonicContact CZ-OD1 2.71Å; R233-D254 IonicContact CZ-OD2 3.69Å; R233-D254 PolarHBondContact N-OD2 3.45Å; R233-D254 IonicContact NE-OD1 3.46Å; R233-D254 PolarHBondContact NE-OD1 3.44Å; R233-D254 IonicContact NE-OD2 3.72Å; R233-D254 PolarHBondContact NE-OD2 2.88Å; R233-D254 IonicContact NH2-OD1 2.68Å; R233-D254 PolarHBondContact NH2-OD1 3.19Å; R233-D254 IonicContact NH2-OD2 3.39Å
234A92.3Very high93.5Very high113 Ų11370 Ų7093%0.93440%0.4SS*.SBendtrans-58.7-36.1-175.600000113.9
235S86.1Confident93.7Very high91 Ų9166.6 Ų66.664%0.63638%0.382SS*.  trans-153.1142.5173.7-172.20000110.5R233R233-S235 VanDerWaalsContact C-N 3.28Å; R233-S235 PolarHBondContact O-N 3.41Å
236V91.7Very high94.2Very high20 Ų2059.8 Ų59.812%0.12135%0.346CS..  trans-136.5148.4175.1-54.50000109.5R233 C252 K253 D254R233-V236 HydrophobicContact CB-CG1 3.86Å; V236-C252 PolarHBondContact N-O 3.29Å; V236-C252 CarbonylContact O-C 3.58Å; V236-C252 WeakPolarHBondContact O-CA 3.36Å; V236-C252 WeakPolarHBondContact O-CB 3.41Å; V236-K253 VanDerWaalsContact CG2-C 3.47Å; V236-K253 WeakPolarHBondContact CG2-O 3.45Å; V236-D254 HydrophobicContact CG1-CB 4.17Å
237G91.9Very high94.5Very high43 Ų4356.2 Ų56.244%0.44333%0.327SS..  trans-63.8149.3170.300000111.4R239G237-R239 PolarHBondContact O-N 2.82Å
238F93.6Very high94.8Very high36 Ų3655.3 Ų55.316%0.15831%0.31CS..  trans-50.8138.5171.4177.3-92.7000111.3G240 A245 A249 R284F238-G240 WeakPolarHBondContact CE1-O 3.43Å; F238-G240 WeakPolarHBondContact CZ-O 3.43Å; F238-A245 HydrophobicContact CE2-CB 3.77Å; F238-A245 HydrophobicContact CZ-CB 3.93Å; F238-A249 HydrophobicContact CD2-CB 4.45Å; F238-A249 WeakPolarHBondContact CD2-O 3.12Å; F238-A249 HydrophobicContact CE2-CB 4.29Å; F238-R284 VanDerWaalsContact CB-NH1 3.34Å
239R87.9Confident94.9Very high116 Ų11651.8 Ų51.844%0.43829%0.289SS..  trans-136.9149.5175.5-65.9-64.4-176.5-88.85.4109.7G237G237-R239 PolarHBondContact O-N 2.82Å
240G90.9Very high94.8Very high19 Ų1951.3 Ų51.320%0.19629%0.287CS..SBendtrans87.1-170.1178.400000114.5R192 D193 F238R192-G240 WeakPolarHBondContact O-CA 3.32Å; D193-G240 VanDerWaalsContact OD1-CA 3.25Å; D193-G240 WeakPolarHBondContact OD1-CA 3.46Å; F238-G240 WeakPolarHBondContact CE1-O 3.43Å; F238-G240 WeakPolarHBondContact CZ-O 3.43Å
241T94.4Very high94.8Very high43 Ų4351.8 Ų51.826%0.26429%0.292SS..  trans-93.2117.3-173.3-60.30000111.4D193 K195 R243 Y244 A245D193-T241 WeakPolarHBondContact OD1-CB 3.37Å; D193-T241 PolarHBondContact OD1-N 3.35Å; D193-T241 PolarHBondContact OD1-OG1 3.03Å; K195-T241 HydrophobicContact CD-CG2 4.47Å; K195-T241 WeakPolarHBondContact CD-OG1 2.92Å; K195-T241 PolarHBondContact NZ-OG1 2.97Å; T241-R243 HydrophobicContact CG2-CB 4.26Å; T241-R243 PolarHBondContact O-N 2.93Å; T241-Y244 HydrophobicContact CG2-CD2 3.93Å; T241-Y244 HydrophobicContact CG2-CE2 4.17Å; T241-Y244 PolarHBondContact O-N 2.95Å; T241-A245 PolarHBondContact O-N 3.14Å
242S96.5Very high94.7Very high32 Ų3248.1 Ų48.122%0.22428%0.275CS..THydrogen-bonded Turntrans-46.9-34.4-175.2-59.60000114.8Y244 H250 K291S242-Y244 PolarHBondContact O-N 3.38Å; S242-H250 PolarHBondContact O-NE2 3.48Å; S242-K291 PolarHBondContact O-NZ 3.03Å
243R97Very high94.7Very high85 Ų8547.9 Ų47.932%0.32127%0.273SS..THydrogen-bonded Turntrans-60.5-42.4177.9-174.6-178.4-62.5168.36.6112.8T241 E270 L276 W278 K291T241-R243 HydrophobicContact CG2-CB 4.26Å; T241-R243 PolarHBondContact O-N 2.93Å; R243-E270 WeakPolarHBondContact CD-OE1 3.33Å; R243-E270 IonicContact NH1-OE1 3.1Å; R243-E270 PolarHBondContact NH1-OE1 2.72Å; R243-L276 HydrophobicContact CG-CD1 3.83Å; R243-W278 PolarHBondContact O-NE1 3.41Å; R243-K291 PolarHBondContact O-NZ 3.1Å
244Y98.1Very high94.7Very high11 Ų1143.3 Ų43.34%0.04326%0.256CS..THydrogen-bonded Turntrans-107.3-9.9-175.5-45.8-76.1000113.1I194 K195 T241 S242 S263 Y266 V267 E270 L276I194-Y244 WeakPolarHBondContact O-CB 3.26Å; K195-Y244 HydrophobicContact CB-CD2 3.38Å; K195-Y244 HydrophobicContact CB-CE2 3.42Å; K195-Y244 VanDerWaalsContact CB-CE2 3.42Å; K195-Y244 HydrophobicContact CB-CG 4.28Å; T241-Y244 HydrophobicContact CG2-CD2 3.93Å; T241-Y244 HydrophobicContact CG2-CE2 4.17Å; T241-Y244 PolarHBondContact O-N 2.95Å; S242-Y244 PolarHBondContact O-N 3.38Å; Y244-S263 WeakPolarHBondContact O-CA 3.43Å; Y244-S263 WeakPolarHBondContact O-CB 3.17Å; Y244-S263 PolarHBondContact O-OG 3.37Å; Y244-Y266 WeakPolarHBondContact O-CD2 3.38Å; Y244-V267 HydrophobicContact CD1-CG2 3.69Å; Y244-V267 HydrophobicContact CE1-CG2 3.97Å; Y244-V267 HydrophobicContact CG-CG2 4.17Å; Y244-E270 PolarHBondContact OH-OE2 3.46Å; Y244-L276 HydrophobicContact CD1-CD1 4.02Å; Y244-L276 HydrophobicContact CE1-CD1 4.06Å
245A97.9Very high95Very high6 Ų638.4 Ų38.45%0.0521%0.214CC..  trans-58.7138.717900000113.1F238 T241 A249 K291F238-A245 HydrophobicContact CE2-CB 3.77Å; F238-A245 HydrophobicContact CZ-CB 3.93Å; T241-A245 PolarHBondContact O-N 3.14Å; A245-A249 HydrophobicContact CB-CB 3.89Å; A245-K291 PolarHBondContact O-NZ 2.86Å
246S97.9Very high95.6Very high4 Ų434.1 Ų34.13%0.02818%0.184CC..  trans-64.6167.6175.875.60000112.1N248 A249 H250 D259S246-N248 PolarHBondContact O-N 3.36Å; S246-N248 PolarHBondContact OG-N 3.42Å; S246-A249 WeakPolarHBondContact O-CB 3.45Å; S246-A249 PolarHBondContact O-N 3.09Å; S246-A249 PolarHBondContact OG-N 3.42Å; S246-H250 PolarHBondContact O-CD2 3.43Å; S246-H250 VanDerWaalsContact O-CD2 3.26Å; S246-H250 PolarHBondContact O-N 3.26Å; S246-D259 VanDerWaalsContact CB-OD1 3.32Å; S246-D259 WeakPolarHBondContact CB-OD1 3.36Å; S246-D259 PolarHBondContact OG-OD1 3Å
247I97.3Very high95.9Very high43 Ų4334.3 Ų34.322%0.22118%0.182CC..Hα-helixtrans-60.4-36170.7-67.5-57000111.4A249 H250 D251 K291 K292I247-A249 VanDerWaalsContact C-N 3.3Å; I247-A249 PolarHBondContact O-N 3.48Å; I247-H250 WeakPolarHBondContact O-CB 3.24Å; I247-H250 PolarHBondContact O-N 3.03Å; I247-H250 VanDerWaalsContact O-N 3.16Å; I247-D251 WeakPolarHBondContact CG2-OD2 3.46Å; I247-D251 WeakPolarHBondContact O-CB 3.43Å; I247-D251 PolarHBondContact O-N 2.9Å; I247-K291 HydrophobicContact CD1-CB 3.48Å; I247-K291 VanDerWaalsContact CD1-CB 3.48Å; I247-K291 HydrophobicContact CD1-CD 4.29Å; I247-K292 HydrophobicContact CD1-CG 3.62Å; I247-K292 HydrophobicContact CG1-CG 4.29Å; I247-K292 VanDerWaalsContact CG2-CE 3.47Å; I247-K292 HydrophobicContact CG2-CG 4.4Å
248N97.3Very high96.2Very high31 Ų3133.7 Ų33.717%0.16617%0.166CC..Hα-helixtrans-61.9-38.7177-58.6-46.8000111.8S246 D251 C252 K253 L255 R258 D259S246-N248 PolarHBondContact O-N 3.36Å; S246-N248 PolarHBondContact OG-N 3.42Å; N248-D251 CarbonylContact O-C 3.59Å; N248-D251 PolarHBondContact O-N 3.29Å; N248-C252 PolarHBondContact O-N 3.33Å; N248-C252 VanDerWaalsContact O-N 3.15Å; N248-K253 HydrophobicContact CB-CB 4.12Å; N248-K253 HydrophobicContact CB-CD 4.31Å; N248-K253 PolarHBondContact O-N 3.19Å; N248-L255 HydrophobicContact CB-CD2 4.4Å; N248-R258 PolarHBondContact ND2-NE 3.24Å; N248-D259 WeakPolarHBondContact CB-OD1 3.28Å; N248-D259 PolarHBondContact ND2-OD1 3.25Å
249A97.2Very high96.5Very high4 Ų432.2 Ų32.23%0.03316%0.16CC..Hα-helixtrans-63.1-44.717400000111.9F238 A245 S246 I247 D251 C252 L255F238-A249 HydrophobicContact CD2-CB 4.45Å; F238-A249 WeakPolarHBondContact CD2-O 3.12Å; F238-A249 HydrophobicContact CE2-CB 4.29Å; A245-A249 HydrophobicContact CB-CB 3.89Å; S246-A249 WeakPolarHBondContact O-CB 3.45Å; S246-A249 PolarHBondContact O-N 3.09Å; S246-A249 PolarHBondContact OG-N 3.42Å; I247-A249 VanDerWaalsContact C-N 3.3Å; I247-A249 PolarHBondContact O-N 3.48Å; A249-D251 VanDerWaalsContact C-N 3.26Å; A249-D251 PolarHBondContact O-N 2.71Å; A249-C252 PolarHBondContact O-N 2.85Å; A249-C252 VanDerWaalsContact O-N 3.16Å; A249-L255 HydrophobicContact CB-CD1 4.14Å; A249-L255 HydrophobicContact CB-CD2 3.74Å
250H96.8Very high97Very high15 Ų1526.8 Ų26.87%0.06914%0.14CC..Hα-helixtrans-61.8-34.6174.5-78.9-75.2000112.8S242 S246 I247 C252 R284 A288S242-H250 PolarHBondContact O-NE2 3.48Å; S246-H250 PolarHBondContact O-CD2 3.43Å; S246-H250 VanDerWaalsContact O-CD2 3.26Å; S246-H250 PolarHBondContact O-N 3.26Å; I247-H250 WeakPolarHBondContact O-CB 3.24Å; I247-H250 PolarHBondContact O-N 3.03Å; I247-H250 VanDerWaalsContact O-N 3.16Å; H250-C252 VanDerWaalsContact C-N 3.26Å; H250-C252 PolarHBondContact O-N 3.31Å; H250-R284 WeakPolarHBondContact ND1-CG 3.39Å; H250-R284 PolarHBondContact ND1-O 3.31Å; H250-A288 HydrophobicContact CB-CB 3.73Å
251D95.5Very high97.4Very high68 Ų6826 Ų2636%0.36413%0.131SC..THydrogen-bonded Turntrans-85.410.2177.8-66.2-16.4000113.1I247 N248 A249 K253 K292I247-D251 WeakPolarHBondContact CG2-OD2 3.46Å; I247-D251 WeakPolarHBondContact O-CB 3.43Å; I247-D251 PolarHBondContact O-N 2.9Å; N248-D251 CarbonylContact O-C 3.59Å; N248-D251 PolarHBondContact O-N 3.29Å; A249-D251 VanDerWaalsContact C-N 3.26Å; A249-D251 PolarHBondContact O-N 2.71Å; D251-K253 HydrophobicContact CB-CG 4.34Å; D251-K253 PolarHBondContact O-N 2.96Å; D251-K292 IonicContact OD1-NZ 2.73Å; D251-K292 PolarHBondContact OD1-NZ 2.79Å; D251-K292 IonicContact OD2-NZ 3.35Å; D251-K292 PolarHBondContact OD2-NZ 2.84Å
252C96Very high97.6Very high40 Ų4024.7 Ų24.727%0.2712%0.122SC..THydrogen-bonded Turntrans57.431.1176.7-68.10000114.4V236 N248 A249 H250V236-C252 PolarHBondContact N-O 3.29Å; V236-C252 CarbonylContact O-C 3.58Å; V236-C252 WeakPolarHBondContact O-CA 3.36Å; V236-C252 WeakPolarHBondContact O-CB 3.41Å; N248-C252 PolarHBondContact O-N 3.33Å; N248-C252 VanDerWaalsContact O-N 3.15Å; A249-C252 PolarHBondContact O-N 2.85Å; A249-C252 VanDerWaalsContact O-N 3.16Å; H250-C252 VanDerWaalsContact C-N 3.26Å; H250-C252 PolarHBondContact O-N 3.31Å
253K96.2Very high97.7Very high88 Ų8823.5 Ų23.538%0.38311%0.114SC..PPolyproline II helixtrans-84.7156.5173.1-62.4-175.4-179.6176.50111.2V236 N248 D251 L255V236-K253 VanDerWaalsContact CG2-C 3.47Å; V236-K253 WeakPolarHBondContact CG2-O 3.45Å; N248-K253 HydrophobicContact CB-CB 4.12Å; N248-K253 HydrophobicContact CB-CD 4.31Å; N248-K253 PolarHBondContact O-N 3.19Å; D251-K253 HydrophobicContact CB-CG 4.34Å; D251-K253 PolarHBondContact O-N 2.96Å; K253-L255 PolarHBondContact O-N 3.45Å
254D96.9Very high97.7Very high1 Ų119.8 Ų19.81%0.00510%0.101CC..PPolyproline II helixtrans-63.4135174.6-154.61.5000110.1R220 E232 R233 V236 F319R220-D254 IonicContact CZ-OD1 2.63Å; R220-D254 IonicContact CZ-OD2 3.59Å; R220-D254 IonicContact NH1-OD1 2.81Å; R220-D254 PolarHBondContact NH1-OD1 2.96Å; R220-D254 VanDerWaalsContact NH1-OD1 3.1Å; R220-D254 IonicContact NH1-OD2 3.48Å; R220-D254 PolarHBondContact NH1-OD2 2.81Å; R220-D254 IonicContact NH2-OD2 2.72Å; E232-D254 HydrophobicContact CG-CB 3.88Å; R233-D254 HydrophobicContact CB-CB 4.24Å; R233-D254 WeakPolarHBondContact CG-OD2 3.4Å; R233-D254 IonicContact CZ-OD1 2.71Å; R233-D254 IonicContact CZ-OD2 3.69Å; R233-D254 PolarHBondContact N-OD2 3.45Å; R233-D254 IonicContact NE-OD1 3.46Å; R233-D254 PolarHBondContact NE-OD1 3.44Å; R233-D254 IonicContact NE-OD2 3.72Å; R233-D254 PolarHBondContact NE-OD2 2.88Å; R233-D254 IonicContact NH2-OD1 2.68Å; R233-D254 PolarHBondContact NH2-OD1 3.19Å; R233-D254 IonicContact NH2-OD2 3.39Å; V236-D254 HydrophobicContact CG1-CB 4.17Å; D254-F319 HydrophobicContact CB-CE2 3.66Å; D254-F319 HydrophobicContact CB-CZ 4.04Å; D254-F319 WeakPolarHBondContact O-CD2 3.48Å; D254-F319 WeakPolarHBondContact O-CE2 3.41Å
255L97.8Very high97.8Very high11 Ų1119.4 Ų19.46%0.05810%0.099CC..PPolyproline II helixtrans-88.6149.4-176.1-57.6-173.8000110.3I190 R192 N248 A249 K253 D259I190-L255 HydrophobicContact CD1-CB 4.22Å; I190-L255 WeakPolarHBondContact CD1-O 3.14Å; R192-L255 HydrophobicContact CB-CD1 4.16Å; R192-L255 HydrophobicContact CG-CB 4.22Å; R192-L255 HydrophobicContact CG-CD1 4.17Å; N248-L255 HydrophobicContact CB-CD2 4.4Å; A249-L255 HydrophobicContact CB-CD1 4.14Å; A249-L255 HydrophobicContact CB-CD2 3.74Å; K253-L255 PolarHBondContact O-N 3.45Å; L255-D259 WeakPolarHBondContact CA-OD2 3.17Å; L255-D259 HydrophobicContact CB-CB 4.29Å; L255-D259 HydrophobicContact CD2-CB 4.06Å
256S98.2Very high97.8Very high1 Ų119.4 Ų19.41%0.00710%0.098CC..  trans-143.6-177.1-178.560.70000110.1R258 D259 F319S256-R258 PolarHBondContact O-N 3.33Å; S256-R258 VanDerWaalsContact O-N 3.1Å; S256-R258 WeakPolarHBondContact OG-CG 3.4Å; S256-R258 PolarHBondContact OG-NE 2.84Å; S256-D259 PolarHBondContact N-OD2 3.47Å; S256-D259 WeakPolarHBondContact O-CB 3.21Å; S256-D259 PolarHBondContact O-N 2.93Å; S256-D259 PolarHBondContact OG-OD2 3.02Å; S256-F319 WeakPolarHBondContact CB-O 2.86Å; S256-F319 PolarHBondContact OG-O 3.11Å
257R98.6Very high97.8Very high23 Ų2319.2 Ų19.29%0.08710%0.097CC..Hα-helixtrans-50.9-37179.4-62.8175.5-77.2-151.52.1113.3H185 I190 Y222 D259 D260 M261 K320 D321 P323H185-R257 HydrophobicContact CB-CG 4.12Å; I190-R257 HydrophobicContact CG2-CG 3.96Å; Y222-R257 HydrophobicContact CE1-CG 4.29Å; Y222-R257 HydrophobicContact CE2-CG 4.18Å; Y222-R257 WeakPolarHBondContact OH-CD 3.49Å; Y222-R257 PolarHBondContact OH-NH1 2.94Å; R257-D259 PolarHBondContact O-N 2.83Å; R257-D260 PolarHBondContact O-N 3.3Å; R257-M261 WeakPolarHBondContact O-CG 3.35Å; R257-M261 PolarHBondContact O-N 2.68Å; R257-M261 VanDerWaalsContact O-N 3.09Å; R257-K320 PolarHBondContact NH2-O 2.66Å; R257-D321 PolarHBondContact NE-O 3.07Å; R257-D321 VanDerWaalsContact NH2-C 3.31Å; R257-D321 PolarHBondContact NH2-O 2.86Å; R257-P323 HydrophobicContact CB-CG 3.85Å
258R98.3Very high97.9Very high30 Ų3017.2 Ų17.211%0.1139%0.086CC..Hα-helixtrans-61-28.6179.277.9-168.4170175.5-9.5113N248 S256 M262 I314 L317N248-R258 PolarHBondContact ND2-NE 3.24Å; S256-R258 PolarHBondContact O-N 3.33Å; S256-R258 VanDerWaalsContact O-N 3.1Å; S256-R258 WeakPolarHBondContact OG-CG 3.4Å; S256-R258 PolarHBondContact OG-NE 2.84Å; R258-M262 PolarHBondContact O-N 2.62Å; R258-I314 WeakPolarHBondContact O-CG2 3.25Å; R258-L317 HydrophobicContact CB-CB 3.76Å; R258-L317 HydrophobicContact CB-CD1 3.93Å; R258-L317 VanDerWaalsContact CD-O 3.25Å; R258-L317 WeakPolarHBondContact CD-O 3.4Å; R258-L317 PolarHBondContact NH1-O 2.83Å
259D98.7Very high98Very high5 Ų515.8 Ų15.83%0.0278%0.079CC..Hα-helixtrans-78.8-39.5-176.2-59.2-70.2000110.7S246 N248 L255 S256 R257 M261 M262 S263S246-D259 VanDerWaalsContact CB-OD1 3.32Å; S246-D259 WeakPolarHBondContact CB-OD1 3.36Å; S246-D259 PolarHBondContact OG-OD1 3Å; N248-D259 WeakPolarHBondContact CB-OD1 3.28Å; N248-D259 PolarHBondContact ND2-OD1 3.25Å; L255-D259 WeakPolarHBondContact CA-OD2 3.17Å; L255-D259 HydrophobicContact CB-CB 4.29Å; L255-D259 HydrophobicContact CD2-CB 4.06Å; S256-D259 PolarHBondContact N-OD2 3.47Å; S256-D259 WeakPolarHBondContact O-CB 3.21Å; S256-D259 PolarHBondContact O-N 2.93Å; S256-D259 PolarHBondContact OG-OD2 3.02Å; R257-D259 PolarHBondContact O-N 2.83Å; D259-M261 VanDerWaalsContact C-N 3.32Å; D259-M262 PolarHBondContact O-N 3Å; D259-S263 PolarHBondContact O-N 3.5Å; D259-S263 PolarHBondContact O-OG 2.84Å
260D98.8Very high98Very high3 Ų315.7 Ų15.72%0.0168%0.078CC..Hα-helixtrans-62.2-40.6169.3-74.1-26.1000111.4L181 H185 I190 H191 R192 I194 R257 M262 S263 L264L181-D260 HydrophobicContact CD1-CB 4.45Å; L181-D260 HydrophobicContact CD2-CB 3.95Å; H185-D260 IonicContact NE2-OD2 2.91Å; H185-D260 PolarHBondContact NE2-OD2 2.93Å; H185-D260 VanDerWaalsContact NE2-OD2 3.16Å; I190-D260 WeakPolarHBondContact CA-OD2 3.14Å; I190-D260 WeakPolarHBondContact CB-OD2 3.46Å; H191-D260 PolarHBondContact N-OD2 2.79Å; R192-D260 WeakPolarHBondContact CA-OD1 3.39Å; R192-D260 PolarHBondContact N-OD1 2.96Å; I194-D260 HydrophobicContact CG1-CB 4.32Å; R257-D260 PolarHBondContact O-N 3.3Å; D260-M262 PolarHBondContact O-N 2.8Å; D260-S263 WeakPolarHBondContact O-CB 3.47Å; D260-S263 PolarHBondContact O-N 3.16Å; D260-L264 PolarHBondContact O-N 3.22Å
261M98.8Very high98.1Very high1 Ų115 Ų151%0.0057%0.074CC..Hα-helixtrans-61.6-41.7174.4-66.1-60.5102.100112.2L178 L181 R257 D259 S263 L264 F265 I314 P323 Y325 L328L178-M261 HydrophobicContact CD1-CE 4.23Å; L178-M261 HydrophobicContact CD1-SD 3.67Å; L181-M261 HydrophobicContact CB-CE 3.53Å; L181-M261 HydrophobicContact CD1-CE 3.46Å; L181-M261 VanDerWaalsContact CD1-CE 3.46Å; L181-M261 HydrophobicContact CG-CE 4.03Å; R257-M261 WeakPolarHBondContact O-CG 3.35Å; R257-M261 PolarHBondContact O-N 2.68Å; R257-M261 VanDerWaalsContact O-N 3.09Å; D259-M261 VanDerWaalsContact C-N 3.32Å; M261-S263 VanDerWaalsContact C-N 3.32Å; M261-S263 PolarHBondContact O-N 3.4Å; M261-L264 WeakPolarHBondContact O-CB 3.38Å; M261-L264 PolarHBondContact O-N 3.09Å; M261-F265 PolarHBondContact O-N 2.78Å; M261-I314 HydrophobicContact CB-CD1 4.01Å; M261-I314 HydrophobicContact CB-CG1 3.95Å; M261-I314 HydrophobicContact CB-CG2 3.86Å; M261-P323 HydrophobicContact CG-CB 4.07Å; M261-P323 HydrophobicContact CG-CG 3.86Å; M261-P323 HydrophobicContact SD-CB 4.44Å; M261-Y325 HydrophobicContact CE-CE1 4.14Å; M261-Y325 HydrophobicContact SD-CE1 4.13Å; M261-L328 HydrophobicContact SD-CD1 4.1Å
262M98.7Very high98.2Very high16 Ų1612.7 Ų12.78%0.0796%0.061CC..Hα-helixtrans-65.5-37.3176.4-174.956.868.800111.7R258 D259 D260 F265 Y266 Y311 I314R258-M262 PolarHBondContact O-N 2.62Å; D259-M262 PolarHBondContact O-N 3Å; D260-M262 PolarHBondContact O-N 2.8Å; M262-F265 WeakPolarHBondContact O-CB 3.28Å; M262-F265 PolarHBondContact O-N 2.84Å; M262-F265 HydrophobicContact SD-CD1 4.07Å; M262-Y266 HydrophobicContact CG-CD2 4.25Å; M262-Y266 HydrophobicContact CG-CE2 3.65Å; M262-Y266 WeakPolarHBondContact O-CD2 3.49Å; M262-Y266 PolarHBondContact O-N 2.88Å; M262-Y266 VanDerWaalsContact O-N 3.09Å; M262-Y266 HydrophobicContact SD-CE1 4.21Å; M262-Y266 HydrophobicContact SD-CE2 4.01Å; M262-Y311 HydrophobicContact CE-CD2 3.97Å; M262-Y311 HydrophobicContact CE-CE2 3.68Å; M262-Y311 HydrophobicContact SD-CD2 4.06Å; M262-Y311 HydrophobicContact SD-CE2 3.82Å; M262-I314 HydrophobicContact CB-CG2 4.11Å; M262-I314 HydrophobicContact CE-CB 4.34Å; M262-I314 HydrophobicContact CE-CG2 3.84Å
263S98.8Very high98.2Very high8 Ų813.5 Ų13.56%0.0567%0.065CC..Hα-helixtrans-63.9-42.2172.5-66.30000112.4Y244 D259 D260 M261 F265 Y266 V267Y244-S263 WeakPolarHBondContact O-CA 3.43Å; Y244-S263 WeakPolarHBondContact O-CB 3.17Å; Y244-S263 PolarHBondContact O-OG 3.37Å; D259-S263 PolarHBondContact O-N 3.5Å; D259-S263 PolarHBondContact O-OG 2.84Å; D260-S263 WeakPolarHBondContact O-CB 3.47Å; D260-S263 PolarHBondContact O-N 3.16Å; M261-S263 VanDerWaalsContact C-N 3.32Å; M261-S263 PolarHBondContact O-N 3.4Å; S263-F265 VanDerWaalsContact C-N 3.32Å; S263-F265 PolarHBondContact O-N 2.96Å; S263-Y266 PolarHBondContact O-N 2.97Å; S263-V267 WeakPolarHBondContact O-CB 3.36Å; S263-V267 WeakPolarHBondContact O-CG2 3.24Å; S263-V267 PolarHBondContact O-N 3.31Å
264L98.8Very high98.2Very high7 Ų710 Ų104%0.0375%0.054CC..Hα-helixtrans-57.2-43.4171.5168.159.3000111.6A174 I177 L178 L181 D260 M261 Y266 V267 T268A174-L264 HydrophobicContact CB-CD1 4.49Å; I177-L264 HydrophobicContact CB-CD1 3.85Å; I177-L264 HydrophobicContact CD1-CD1 4.34Å; I177-L264 HydrophobicContact CG2-CD1 3.67Å; L178-L264 HydrophobicContact CB-CD2 3.83Å; L178-L264 HydrophobicContact CD1-CD2 4Å; L178-L264 HydrophobicContact CG-CD2 4.5Å; L181-L264 HydrophobicContact CD1-CB 4.06Å; L181-L264 HydrophobicContact CD1-CD2 4.24Å; D260-L264 PolarHBondContact O-N 3.22Å; M261-L264 WeakPolarHBondContact O-CB 3.38Å; M261-L264 PolarHBondContact O-N 3.09Å; L264-Y266 PolarHBondContact O-N 2.86Å; L264-V267 PolarHBondContact O-N 2.82Å; L264-T268 WeakPolarHBondContact O-CB 3.26Å; L264-T268 PolarHBondContact O-N 3.43Å; L264-T268 PolarHBondContact O-OG1 2.79Å
265F98.8Very high98.1Very high3 Ų316.5 Ų16.51%0.0138%0.082CC..Hα-helixtrans-59-48.7176.1170.4-96.4000111.8M261 M262 S263 V267 T268 V269 L299 L307 I310 Y311 I314M261-F265 PolarHBondContact O-N 2.78Å; M262-F265 WeakPolarHBondContact O-CB 3.28Å; M262-F265 PolarHBondContact O-N 2.84Å; M262-F265 HydrophobicContact SD-CD1 4.07Å; S263-F265 VanDerWaalsContact C-N 3.32Å; S263-F265 PolarHBondContact O-N 2.96Å; F265-V267 PolarHBondContact O-N 3.27Å; F265-T268 WeakPolarHBondContact O-CB 3.28Å; F265-T268 PolarHBondContact O-N 2.92Å; F265-V269 HydrophobicContact CE1-CG2 4.06Å; F265-V269 HydrophobicContact CE2-CG2 4.11Å; F265-V269 HydrophobicContact CZ-CG2 3.83Å; F265-V269 WeakPolarHBondContact O-CG2 3.36Å; F265-V269 PolarHBondContact O-N 3.43Å; F265-L299 HydrophobicContact CE1-CD2 3.56Å; F265-L299 HydrophobicContact CE1-CG 4.42Å; F265-L299 HydrophobicContact CZ-CD2 4.06Å; F265-L307 HydrophobicContact CE2-CB 4.28Å; F265-L307 WeakPolarHBondContact CE2-O 3.27Å; F265-I310 HydrophobicContact CD2-CG2 4.23Å; F265-Y311 AromaticContact CD1-CD2 3.8Å; F265-Y311 HydrophobicContact CD1-CD2 3.8Å; F265-Y311 HydrophobicContact CD1-CE2 4.48Å; F265-Y311 AromaticContact CE1-CD2 3.44Å; F265-Y311 HydrophobicContact CE1-CD2 3.44Å; F265-Y311 VanDerWaalsContact CE1-CD2 3.44Å; F265-Y311 HydrophobicContact CE1-CE2 4.11Å; F265-Y311 HydrophobicContact CE1-CG 4.33Å; F265-Y311 HydrophobicContact CE2-CD2 4.29Å; F265-Y311 HydrophobicContact CG-CD2 4.36Å; F265-Y311 AromaticContact CZ-CD2 3.72Å; F265-Y311 HydrophobicContact CZ-CD2 3.72Å; F265-Y311 HydrophobicContact CZ-CG 4.17Å; F265-I314 HydrophobicContact CB-CD1 4.14Å
266Y98.7Very high98.1Very high5 Ų516 Ų162%0.028%0.08CC..Hα-helixtrans-65-37.6177.6-66-41.3000113.1Y244 M262 S263 L264 T268 V269 E270 L276 W278 K291 L299Y244-Y266 WeakPolarHBondContact O-CD2 3.38Å; M262-Y266 HydrophobicContact CG-CD2 4.25Å; M262-Y266 HydrophobicContact CG-CE2 3.65Å; M262-Y266 WeakPolarHBondContact O-CD2 3.49Å; M262-Y266 PolarHBondContact O-N 2.88Å; M262-Y266 VanDerWaalsContact O-N 3.09Å; M262-Y266 HydrophobicContact SD-CE1 4.21Å; M262-Y266 HydrophobicContact SD-CE2 4.01Å; S263-Y266 PolarHBondContact O-N 2.97Å; L264-Y266 PolarHBondContact O-N 2.86Å; Y266-T268 VanDerWaalsContact C-N 3.32Å; Y266-V269 PolarHBondContact O-N 3.17Å; Y266-E270 PolarHBondContact O-N 3.13Å; Y266-L276 HydrophobicContact CD1-CD2 4.38Å; Y266-W278 AromaticContact CD1-CH2 3.97Å; Y266-W278 HydrophobicContact CD1-CH2 3.97Å; Y266-W278 AromaticContact CD1-CZ2 3.79Å; Y266-W278 HydrophobicContact CD1-CZ2 3.79Å; Y266-W278 AromaticContact CE1-CH2 3.64Å; Y266-W278 HydrophobicContact CE1-CH2 3.64Å; Y266-W278 AromaticContact CE1-CZ2 3.8Å; Y266-W278 HydrophobicContact CE1-CZ2 3.8Å; Y266-W278 HydrophobicContact CE2-CZ2 4.5Å; Y266-W278 HydrophobicContact CG-CZ2 4.19Å; Y266-K291 HydrophobicContact CE2-CD 4.44Å; Y266-L299 HydrophobicContact CD1-CD2 4.25Å; Y266-L299 HydrophobicContact CE1-CD2 3.97Å
267V98.4Very high98.1Very high0 Ų019.3 Ų19.30%010%0.101CC..Hα-helixtrans-60.5-43.9172.9162.90000110.4I177 I194 L196 I199 Y244 S263 L264 F265 E270 M271I177-V267 HydrophobicContact CD1-CG1 4.41Å; I194-V267 HydrophobicContact CG2-CG2 4.34Å; L196-V267 HydrophobicContact CD2-CG1 3.53Å; L196-V267 HydrophobicContact CG-CG1 4.02Å; I199-V267 HydrophobicContact CD1-CG1 4.37Å; Y244-V267 HydrophobicContact CD1-CG2 3.69Å; Y244-V267 HydrophobicContact CE1-CG2 3.97Å; Y244-V267 HydrophobicContact CG-CG2 4.17Å; S263-V267 WeakPolarHBondContact O-CB 3.36Å; S263-V267 WeakPolarHBondContact O-CG2 3.24Å; S263-V267 PolarHBondContact O-N 3.31Å; L264-V267 PolarHBondContact O-N 2.82Å; F265-V267 PolarHBondContact O-N 3.27Å; V267-E270 PolarHBondContact O-N 2.62Å; V267-M271 HydrophobicContact CG1-CE 4.18Å; V267-M271 WeakPolarHBondContact O-CG 3.34Å; V267-M271 PolarHBondContact O-N 3.41Å
268T98.7Very high98Very high1 Ų118.4 Ų18.41%0.00610%0.097CC..Hα-helixtrans-60.3-49.3176.8-56.90000111.3A174 L264 F265 Y266 E270 M271 F272 L307A174-T268 HydrophobicContact CB-CG2 3.92Å; A174-T268 WeakPolarHBondContact CB-OG1 3.3Å; L264-T268 WeakPolarHBondContact O-CB 3.26Å; L264-T268 PolarHBondContact O-N 3.43Å; L264-T268 PolarHBondContact O-OG1 2.79Å; F265-T268 WeakPolarHBondContact O-CB 3.28Å; F265-T268 PolarHBondContact O-N 2.92Å; Y266-T268 VanDerWaalsContact C-N 3.32Å; T268-E270 VanDerWaalsContact C-N 3.3Å; T268-E270 PolarHBondContact O-N 2.96Å; T268-M271 WeakPolarHBondContact O-CB 3.47Å; T268-M271 PolarHBondContact O-N 3.35Å; T268-M271 VanDerWaalsContact O-N 3.11Å; T268-F272 HydrophobicContact CG2-CD2 4Å; T268-F272 HydrophobicContact CG2-CE2 3.77Å; T268-F272 VanDerWaalsContact O-CD2 3.27Å; T268-F272 WeakPolarHBondContact O-CD2 3.26Å; T268-F272 PolarHBondContact O-N 2.85Å; T268-F272 VanDerWaalsContact O-N 3.13Å; T268-L307 HydrophobicContact CG2-CD2 3.96Å
269V98.5Very high97.7Very high2 Ų218.6 Ų18.61%0.01210%0.103CC..Hα-helixtrans-58.7-41.8175.61740000111.4F265 Y266 M271 F272 T273 L276 L299 L303F265-V269 HydrophobicContact CE1-CG2 4.06Å; F265-V269 HydrophobicContact CE2-CG2 4.11Å; F265-V269 HydrophobicContact CZ-CG2 3.83Å; F265-V269 WeakPolarHBondContact O-CG2 3.36Å; F265-V269 PolarHBondContact O-N 3.43Å; Y266-V269 PolarHBondContact O-N 3.17Å; V269-M271 VanDerWaalsContact C-N 3.35Å; V269-M271 PolarHBondContact O-N 3Å; V269-F272 PolarHBondContact O-N 3.36Å; V269-T273 HydrophobicContact CG1-CG2 4.31Å; V269-T273 WeakPolarHBondContact O-CB 3.47Å; V269-T273 WeakPolarHBondContact O-CG2 3.48Å; V269-T273 PolarHBondContact O-N 2.97Å; V269-T273 PolarHBondContact O-OG1 3.31Å; V269-L276 HydrophobicContact CB-CD2 4.1Å; V269-L276 HydrophobicContact CG1-CD2 3.87Å; V269-L299 HydrophobicContact CG1-CD1 3.94Å; V269-L299 HydrophobicContact CG1-CG 4.24Å; V269-L299 HydrophobicContact CG2-CG 4.43Å; V269-L303 HydrophobicContact CB-CD1 4.5Å; V269-L303 HydrophobicContact CG1-CD1 4.16Å; V269-L303 HydrophobicContact CG2-CD1 4.19Å
270E98.1Very high97.3Very high1 Ų129.6 Ų29.61%0.00514%0.144CC..Hα-helixtrans-67.3-34.1177.3-157.3-171.6-125.600112.3R157 L196 R243 Y244 Y266 V267 T268 G274 L276R157-E270 IonicContact CZ-OE2 3.5Å; R157-E270 IonicContact NE-OE2 2.83Å; R157-E270 PolarHBondContact NE-OE2 3.3Å; R157-E270 IonicContact NH2-OE1 3.43Å; R157-E270 PolarHBondContact NH2-OE1 3.33Å; R157-E270 IonicContact NH2-OE2 3.66Å; R157-E270 PolarHBondContact NH2-OE2 3.29Å; L196-E270 WeakPolarHBondContact CD1-OE2 3.49Å; R243-E270 WeakPolarHBondContact CD-OE1 3.33Å; R243-E270 IonicContact NH1-OE1 3.1Å; R243-E270 PolarHBondContact NH1-OE1 2.72Å; Y244-E270 PolarHBondContact OH-OE2 3.46Å; Y266-E270 PolarHBondContact O-N 3.13Å; V267-E270 PolarHBondContact O-N 2.62Å; T268-E270 VanDerWaalsContact C-N 3.3Å; T268-E270 PolarHBondContact O-N 2.96Å; E270-G274 WeakPolarHBondContact O-CA 3.46Å; E270-G274 PolarHBondContact O-N 2.94Å; E270-L276 HydrophobicContact CB-CD1 4.46Å; E270-L276 HydrophobicContact CB-CG 4.18Å; E270-L276 HydrophobicContact CG-CG 4.44Å
271M98.2Very high97.2Very high0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-61.8-43.2173.9-73.7-168.8-65.900111.7L153 C164 F165 A170 C173 A174 I177 L196 V267 T268 V269L153-M271 HydrophobicContact CD1-SD 4.27Å; C164-M271 WeakPolarHBondContact CA-O 3.16Å; C164-M271 WeakPolarHBondContact CB-O 3.27Å; F165-M271 HydrophobicContact CD2-CB 3.92Å; F165-M271 HydrophobicContact CD2-CG 3.77Å; F165-M271 HydrophobicContact CD2-SD 3.92Å; F165-M271 HydrophobicContact CE2-CG 4.05Å; F165-M271 HydrophobicContact CE2-SD 4.06Å; F165-M271 PolarHBondContact N-O 3.27Å; A170-M271 HydrophobicContact CB-CB 3.93Å; A170-M271 WeakPolarHBondContact O-CE 3.32Å; C173-M271 HydrophobicContact CB-CE 3.83Å; C173-M271 HydrophobicContact CB-SD 3.55Å; C173-M271 VanDerWaalsContact CB-SD 3.55Å; A174-M271 HydrophobicContact CB-CE 4.11Å; I177-M271 HydrophobicContact CD1-CE 4.32Å; L196-M271 HydrophobicContact CD2-CG 3.76Å; L196-M271 HydrophobicContact CD2-SD 4.01Å; V267-M271 HydrophobicContact CG1-CE 4.18Å; V267-M271 WeakPolarHBondContact O-CG 3.34Å; V267-M271 PolarHBondContact O-N 3.41Å; T268-M271 WeakPolarHBondContact O-CB 3.47Å; T268-M271 PolarHBondContact O-N 3.35Å; T268-M271 VanDerWaalsContact O-N 3.11Å; V269-M271 VanDerWaalsContact C-N 3.35Å; V269-M271 PolarHBondContact O-N 3Å
272F97.9Very high96.9Very high21 Ų2141.5 Ų41.59%0.09220%0.197CC..Hα-helixtrans-70.8-45178.1-81.7-77.5000113.6C164 V167 A170 T268 V269 L303 P304 L307C164-F272 WeakPolarHBondContact CB-O 3.45Å; V167-F272 HydrophobicContact CB-CE1 4.07Å; V167-F272 HydrophobicContact CG1-CE1 3.94Å; V167-F272 HydrophobicContact CG1-CZ 4.43Å; V167-F272 HydrophobicContact CG2-CD1 4.48Å; V167-F272 HydrophobicContact CG2-CE1 3.99Å; A170-F272 HydrophobicContact CB-CD1 4.13Å; A170-F272 HydrophobicContact CB-CD2 4.01Å; A170-F272 HydrophobicContact CB-CE1 4Å; A170-F272 HydrophobicContact CB-CE2 3.84Å; A170-F272 HydrophobicContact CB-CG 4.13Å; A170-F272 HydrophobicContact CB-CZ 3.83Å; T268-F272 HydrophobicContact CG2-CD2 4Å; T268-F272 HydrophobicContact CG2-CE2 3.77Å; T268-F272 VanDerWaalsContact O-CD2 3.27Å; T268-F272 WeakPolarHBondContact O-CD2 3.26Å; T268-F272 PolarHBondContact O-N 2.85Å; T268-F272 VanDerWaalsContact O-N 3.13Å; V269-F272 PolarHBondContact O-N 3.36Å; F272-L303 HydrophobicContact CB-CD1 4.38Å; F272-L303 HydrophobicContact CB-CD2 3.62Å; F272-L303 HydrophobicContact CD1-CD2 4.39Å; F272-L303 HydrophobicContact CG-CD2 4.08Å; F272-P304 HydrophobicContact CE1-CG 4.04Å; F272-P304 HydrophobicContact CZ-CG 3.87Å; F272-L307 HydrophobicContact CD2-CD1 4.25Å; F272-L307 HydrophobicContact CE2-CD1 4.31Å
273T96.9Very high96.7Very high57 Ų5744.3 Ų44.335%0.3521%0.212SC..Hα-helixtrans-100.4-14-167.561.90000113.7V269 K275 L303V269-T273 HydrophobicContact CG1-CG2 4.31Å; V269-T273 WeakPolarHBondContact O-CB 3.47Å; V269-T273 WeakPolarHBondContact O-CG2 3.48Å; V269-T273 PolarHBondContact O-N 2.97Å; V269-T273 PolarHBondContact O-OG1 3.31Å; T273-K275 PolarHBondContact O-N 3.43Å; T273-K275 PolarHBondContact OG1-N 3.01Å; T273-K275 PolarHBondContact OG1-O 3.47Å; T273-L303 HydrophobicContact CG2-CD1 4.12Å; T273-L303 HydrophobicContact CG2-CD2 3.87Å; T273-L303 HydrophobicContact CG2-CG 4.45Å
274G96.4Very high96.5Very high14 Ų1448.8 Ų48.814%0.14423%0.228CC..SBendtrans75.2-7-173.900000115R157 K163 E270R157-G274 PolarHBondContact NH1-O 3.34Å; K163-G274 WeakPolarHBondContact O-CA 3.5Å; E270-G274 WeakPolarHBondContact O-CA 3.46Å; E270-G274 PolarHBondContact O-N 2.94Å
275K95.2Very high96.3Very high138 Ų13853.7 Ų53.760%0.626%0.255SS*.  trans-156.1147.3-178.362.3-179.7-178.6-179.80112.6T273T273-K275 PolarHBondContact O-N 3.43Å; T273-K275 PolarHBondContact OG1-N 3.01Å; T273-K275 PolarHBondContact OG1-O 3.47Å
276L97.1Very high96.3Very high1 Ų158.5 Ų58.51%0.00528%0.277CS..  trans-93.1154.7162.1-69.3163.7000110.8R243 Y244 Y266 V269 E270 W278 C279 L299R243-L276 HydrophobicContact CG-CD1 3.83Å; Y244-L276 HydrophobicContact CD1-CD1 4.02Å; Y244-L276 HydrophobicContact CE1-CD1 4.06Å; Y266-L276 HydrophobicContact CD1-CD2 4.38Å; V269-L276 HydrophobicContact CB-CD2 4.1Å; V269-L276 HydrophobicContact CG1-CD2 3.87Å; E270-L276 HydrophobicContact CB-CD1 4.46Å; E270-L276 HydrophobicContact CB-CG 4.18Å; E270-L276 HydrophobicContact CG-CG 4.44Å; L276-W278 HydrophobicContact CB-CD2 4.31Å; L276-W278 HydrophobicContact CB-CZ2 4.14Å; L276-W278 HydrophobicContact CD1-CZ2 4.1Å; L276-W278 HydrophobicContact CD2-CH2 4.45Å; L276-W278 HydrophobicContact CD2-CZ2 4Å; L276-W278 HydrophobicContact CG-CZ2 4.31Å; L276-W278 PolarHBondContact O-N 2.97Å; L276-W278 VanDerWaalsContact O-N 3.08Å; L276-C279 WeakPolarHBondContact O-CB 3.38Å; L276-C279 PolarHBondContact O-N 3.22Å; L276-C279 PolarHBondContact O-SG 3.21Å; L276-L299 HydrophobicContact CD2-CD1 4.32Å
277P97.1Very high96.2Very high70 Ų7058.5 Ų58.546%0.45528%0.277SS..THydrogen-bonded Turntrans-54.7-31.3-179.4-27.835.6000114.3L290 T294 L299P277-L290 HydrophobicContact CB-CD2 4.31Å; P277-T294 HydrophobicContact CG-CG2 4.37Å; P277-L299 HydrophobicContact CG-CD1 3.9Å
278W97.4Very high96.2Very high3 Ų359 Ų591%0.01128%0.282CS..THydrogen-bonded Turntrans-95.811.8179.150.283.6000114.1R243 Y266 L276 R280 M281 I287 L290 K291 L299R243-W278 PolarHBondContact O-NE1 3.41Å; Y266-W278 AromaticContact CD1-CH2 3.97Å; Y266-W278 HydrophobicContact CD1-CH2 3.97Å; Y266-W278 AromaticContact CD1-CZ2 3.79Å; Y266-W278 HydrophobicContact CD1-CZ2 3.79Å; Y266-W278 AromaticContact CE1-CH2 3.64Å; Y266-W278 HydrophobicContact CE1-CH2 3.64Å; Y266-W278 AromaticContact CE1-CZ2 3.8Å; Y266-W278 HydrophobicContact CE1-CZ2 3.8Å; Y266-W278 HydrophobicContact CE2-CZ2 4.5Å; Y266-W278 HydrophobicContact CG-CZ2 4.19Å; L276-W278 HydrophobicContact CB-CD2 4.31Å; L276-W278 HydrophobicContact CB-CZ2 4.14Å; L276-W278 HydrophobicContact CD1-CZ2 4.1Å; L276-W278 HydrophobicContact CD2-CH2 4.45Å; L276-W278 HydrophobicContact CD2-CZ2 4Å; L276-W278 HydrophobicContact CG-CZ2 4.31Å; L276-W278 PolarHBondContact O-N 2.97Å; L276-W278 VanDerWaalsContact O-N 3.08Å; W278-R280 PolarHBondContact O-N 3.42Å; W278-R280 VanDerWaalsContact O-N 3.11Å; W278-M281 HydrophobicContact CB-SD 3.76Å; W278-M281 WeakPolarHBondContact O-CB 3.15Å; W278-M281 PolarHBondContact O-N 3.38Å; W278-M281 VanDerWaalsContact O-N 3.08Å; W278-I287 HydrophobicContact CB-CG1 4.34Å; W278-I287 HydrophobicContact CB-CG2 4.19Å; W278-I287 HydrophobicContact CG-CG2 3.98Å; W278-L290 HydrophobicContact CB-CD2 3.9Å; W278-L290 HydrophobicContact CB-CG 4.42Å; W278-L290 HydrophobicContact CE3-CG 4.18Å; W278-K291 HydrophobicContact CD2-CG 3.79Å; W278-K291 HydrophobicContact CE3-CG 3.7Å; W278-K291 HydrophobicContact CH2-CD 4.48Å; W278-K291 HydrophobicContact CH2-CG 3.72Å; W278-K291 HydrophobicContact CZ2-CD 4.16Å; W278-K291 HydrophobicContact CZ2-CG 3.79Å; W278-K291 HydrophobicContact CZ3-CB 4.38Å; W278-K291 HydrophobicContact CZ3-CG 3.67Å; W278-K291 VanDerWaalsContact NE1-CE 3.31Å; W278-L299 HydrophobicContact CH2-CD1 4.4Å; W278-L299 HydrophobicContact CH2-CD2 4.33Å
279C92.2Very high96.1Very high34 Ų3461.2 Ų61.223%0.2330%0.3CS..THydrogen-bonded Turntrans-63-23.2-16969.60000115.4L276L276-C279 WeakPolarHBondContact O-CB 3.38Å; L276-C279 PolarHBondContact O-N 3.22Å; L276-C279 PolarHBondContact O-SG 3.21Å
280R91.1Very high96.1Very high236 Ų23662.2 Ų62.289%0.89131%0.305SS*.THydrogen-bonded Turntrans-92.9-5.3179.3-64.5-176.4178.7179-1.8113.8W278W278-R280 PolarHBondContact O-N 3.42Å; W278-R280 VanDerWaalsContact O-N 3.11Å
281M94.8Very high96.1Very high51 Ų5162.5 Ų62.525%0.25131%0.306SS..  trans-87.4141.2-175.5-59.7171.57100110.1W278 E286 I287 L290W278-M281 HydrophobicContact CB-SD 3.76Å; W278-M281 WeakPolarHBondContact O-CB 3.15Å; W278-M281 PolarHBondContact O-N 3.38Å; W278-M281 VanDerWaalsContact O-N 3.08Å; M281-E286 HydrophobicContact CE-CB 3.21Å; M281-E286 HydrophobicContact CE-CG 4.4Å; M281-E286 WeakPolarHBondContact CE-O 3.44Å; M281-I287 HydrophobicContact CB-CD1 4.26Å; M281-I287 HydrophobicContact CB-CG1 3.62Å; M281-L290 HydrophobicContact SD-CB 4.33Å; M281-L290 HydrophobicContact SD-CD2 3.52Å; M281-L290 VanDerWaalsContact SD-CD2 3.52Å
282K92.4Very high96Very high203 Ų20368.3 Ų68.388%0.88333%0.331SS*.  trans-106.6-31.9175.8-64.8-175.7179.6-178.80112.3R284K282-R284 PolarHBondContact O-N 3.11Å
283N96.1Very high95.9Very high75 Ų7575.4 Ų75.440%0.40136%0.358SS..  trans-71.5121.2-178.9-174.5-57.7000110.8N285 E286 I287N283-N285 PolarHBondContact O-N 3.09Å; N283-N285 WeakPolarHBondContact OD1-CB 3.36Å; N283-N285 PolarHBondContact OD1-N 3.37Å; N283-E286 HydrophobicContact CB-CB 4.11Å; N283-E286 HydrophobicContact CB-CG 3.81Å; N283-E286 PolarHBondContact O-N 3.16Å; N283-E286 PolarHBondContact OD1-N 3.09Å; N283-E286 VanDerWaalsContact OD1-N 3.14Å; N283-I287 VanDerWaalsContact O-CG1 3.24Å; N283-I287 WeakPolarHBondContact O-CG1 3.45Å; N283-I287 PolarHBondContact O-N 3.22Å
284R94.3Very high95.9Very high102 Ų10273.8 Ų73.839%0.38535%0.347SS..Hα-helixtrans-60.5-42.1-177.5-173.317865.6-158.2-0112.8F238 H250 K282 I287 A288F238-R284 VanDerWaalsContact CB-NH1 3.34Å; H250-R284 WeakPolarHBondContact ND1-CG 3.39Å; H250-R284 PolarHBondContact ND1-O 3.31Å; K282-R284 PolarHBondContact O-N 3.11Å; R284-I287 WeakPolarHBondContact O-CB 3.38Å; R284-I287 PolarHBondContact O-N 3.34Å; R284-A288 PolarHBondContact O-N 2.99Å
285N95.2Very high96Very high111 Ų11175.7 Ų75.759%0.59436%0.358SS*.Hα-helixtrans-69.1-39.2-177.5-63.4-13.1000111.2N283 A288 A289N283-N285 PolarHBondContact O-N 3.09Å; N283-N285 WeakPolarHBondContact OD1-CB 3.36Å; N283-N285 PolarHBondContact OD1-N 3.37Å; N285-A288 WeakPolarHBondContact O-CB 3.45Å; N285-A288 PolarHBondContact O-N 3.27Å; N285-A289 WeakPolarHBondContact O-CB 3.49Å; N285-A289 PolarHBondContact O-N 3.46Å
286E97.1Very high96Very high104 Ų10470.7 Ų70.749%0.48634%0.34SS..Hα-helixtrans-67.1-39175.2-60.4175.2-174.900111.8M281 N283 A288 A289 L290M281-E286 HydrophobicContact CE-CB 3.21Å; M281-E286 HydrophobicContact CE-CG 4.4Å; M281-E286 WeakPolarHBondContact CE-O 3.44Å; N283-E286 HydrophobicContact CB-CB 4.11Å; N283-E286 HydrophobicContact CB-CG 3.81Å; N283-E286 PolarHBondContact O-N 3.16Å; N283-E286 PolarHBondContact OD1-N 3.09Å; N283-E286 VanDerWaalsContact OD1-N 3.14Å; E286-A288 VanDerWaalsContact C-N 3.34Å; E286-A289 PolarHBondContact O-N 3.27Å; E286-L290 PolarHBondContact O-N 2.97Å
287I97.5Very high96Very high5 Ų579 Ų793%0.02638%0.376CS..Hα-helixtrans-59.4-48173-68164.4000109.7W278 M281 N283 R284 A289 L290 K291W278-I287 HydrophobicContact CB-CG1 4.34Å; W278-I287 HydrophobicContact CB-CG2 4.19Å; W278-I287 HydrophobicContact CG-CG2 3.98Å; M281-I287 HydrophobicContact CB-CD1 4.26Å; M281-I287 HydrophobicContact CB-CG1 3.62Å; N283-I287 VanDerWaalsContact O-CG1 3.24Å; N283-I287 WeakPolarHBondContact O-CG1 3.45Å; N283-I287 PolarHBondContact O-N 3.22Å; R284-I287 WeakPolarHBondContact O-CB 3.38Å; R284-I287 PolarHBondContact O-N 3.34Å; I287-A289 PolarHBondContact O-N 3.48Å; I287-L290 PolarHBondContact O-N 3.37Å; I287-K291 HydrophobicContact CG2-CD 4.2Å; I287-K291 HydrophobicContact CG2-CG 4.43Å; I287-K291 WeakPolarHBondContact O-CG 3.36Å; I287-K291 PolarHBondContact O-N 3.22Å
288A97.2Very high96Very high11 Ų1180.4 Ų80.49%0.09138%0.383CS..Hα-helixtrans-58.6-46.7178.100000111.8H250 R284 N285 E286 L290 K291 K292H250-A288 HydrophobicContact CB-CB 3.73Å; R284-A288 PolarHBondContact O-N 2.99Å; N285-A288 WeakPolarHBondContact O-CB 3.45Å; N285-A288 PolarHBondContact O-N 3.27Å; E286-A288 VanDerWaalsContact C-N 3.34Å; A288-L290 PolarHBondContact O-N 3.06Å; A288-K291 PolarHBondContact O-N 3.27Å; A288-K292 WeakPolarHBondContact O-CG 3.39Å; A288-K292 PolarHBondContact O-N 2.94Å
289A97.6Very high96Very high46 Ų4681 Ų8138%0.3839%0.386SS..Hα-helixtrans-62-41.6177.800000112.2N285 E286 I287 K292 R293N285-A289 WeakPolarHBondContact O-CB 3.49Å; N285-A289 PolarHBondContact O-N 3.46Å; E286-A289 PolarHBondContact O-N 3.27Å; I287-A289 PolarHBondContact O-N 3.48Å; A289-K292 PolarHBondContact O-N 2.92Å; A289-R293 WeakPolarHBondContact O-CG 3.39Å; A289-R293 PolarHBondContact O-N 2.73Å; A289-R293 VanDerWaalsContact O-N 3.15Å
290L97.7Very high96.3Very high23 Ų2379.8 Ų79.812%0.1238%0.378CS..Hα-helixtrans-67.4-37.1175.5179.851000112.1P277 W278 M281 E286 I287 A288 R293 T294P277-L290 HydrophobicContact CB-CD2 4.31Å; W278-L290 HydrophobicContact CB-CD2 3.9Å; W278-L290 HydrophobicContact CB-CG 4.42Å; W278-L290 HydrophobicContact CE3-CG 4.18Å; M281-L290 HydrophobicContact SD-CB 4.33Å; M281-L290 HydrophobicContact SD-CD2 3.52Å; M281-L290 VanDerWaalsContact SD-CD2 3.52Å; E286-L290 PolarHBondContact O-N 2.97Å; I287-L290 PolarHBondContact O-N 3.37Å; A288-L290 PolarHBondContact O-N 3.06Å; L290-R293 HydrophobicContact CD1-CG 3.99Å; L290-R293 VanDerWaalsContact CD1-NH2 3.34Å; L290-R293 WeakPolarHBondContact O-CG 3.34Å; L290-R293 PolarHBondContact O-N 2.79Å; L290-T294 WeakPolarHBondContact CD1-OG1 3.5Å; L290-T294 WeakPolarHBondContact O-CB 3.49Å; L290-T294 PolarHBondContact O-N 2.91Å; L290-T294 VanDerWaalsContact O-N 3.09Å; L290-T294 PolarHBondContact O-OG1 3.1Å
291K97.8Very high96.5Very high8 Ų873.1 Ų73.14%0.03537%0.368CS..Hα-helixtrans-61.3-48.3173.1-73.9-178.5-178.3-167.20111.5S242 R243 A245 I247 Y266 W278 I287 A288 R293 T294S242-K291 PolarHBondContact O-NZ 3.03Å; R243-K291 PolarHBondContact O-NZ 3.1Å; A245-K291 PolarHBondContact O-NZ 2.86Å; I247-K291 HydrophobicContact CD1-CB 3.48Å; I247-K291 VanDerWaalsContact CD1-CB 3.48Å; I247-K291 HydrophobicContact CD1-CD 4.29Å; Y266-K291 HydrophobicContact CE2-CD 4.44Å; W278-K291 HydrophobicContact CD2-CG 3.79Å; W278-K291 HydrophobicContact CE3-CG 3.7Å; W278-K291 HydrophobicContact CH2-CD 4.48Å; W278-K291 HydrophobicContact CH2-CG 3.72Å; W278-K291 HydrophobicContact CZ2-CD 4.16Å; W278-K291 HydrophobicContact CZ2-CG 3.79Å; W278-K291 HydrophobicContact CZ3-CB 4.38Å; W278-K291 HydrophobicContact CZ3-CG 3.67Å; W278-K291 VanDerWaalsContact NE1-CE 3.31Å; I287-K291 HydrophobicContact CG2-CD 4.2Å; I287-K291 HydrophobicContact CG2-CG 4.43Å; I287-K291 WeakPolarHBondContact O-CG 3.36Å; I287-K291 PolarHBondContact O-N 3.22Å; A288-K291 PolarHBondContact O-N 3.27Å; K291-R293 VanDerWaalsContact C-N 3.31Å; K291-R293 PolarHBondContact O-N 2.89Å; K291-T294 PolarHBondContact O-N 3.32Å
292K96.8Very high96.6Very high121 Ų12174.6 Ų74.653%0.52640%0.396SS..Hα-helixtrans-61.5-35-179.6-70.3178.8-178-179.80113.1I247 D251 A288 A289I247-K292 HydrophobicContact CD1-CG 3.62Å; I247-K292 HydrophobicContact CG1-CG 4.29Å; I247-K292 VanDerWaalsContact CG2-CE 3.47Å; I247-K292 HydrophobicContact CG2-CG 4.4Å; D251-K292 IonicContact OD1-NZ 2.73Å; D251-K292 PolarHBondContact OD1-NZ 2.79Å; D251-K292 IonicContact OD2-NZ 3.35Å; D251-K292 PolarHBondContact OD2-NZ 2.84Å; A288-K292 WeakPolarHBondContact O-CG 3.39Å; A288-K292 PolarHBondContact O-N 2.94Å; A289-K292 PolarHBondContact O-N 2.92Å
293R96.9Very high96.8Very high171 Ų17166.4 Ų66.465%0.64536%0.362SS*.Hα-helixtrans-86.3-18.2179.974.8-169.4177.5-141.7-1.2114.8A289 L290 K291 S295A289-R293 WeakPolarHBondContact O-CG 3.39Å; A289-R293 PolarHBondContact O-N 2.73Å; A289-R293 VanDerWaalsContact O-N 3.15Å; L290-R293 HydrophobicContact CD1-CG 3.99Å; L290-R293 VanDerWaalsContact CD1-NH2 3.34Å; L290-R293 WeakPolarHBondContact O-CG 3.34Å; L290-R293 PolarHBondContact O-N 2.79Å; K291-R293 VanDerWaalsContact C-N 3.31Å; K291-R293 PolarHBondContact O-N 2.89Å; R293-S295 PolarHBondContact O-N 3.23Å
294T97.1Very high96.9Very high22 Ų2263.6 Ų63.614%0.13535%0.348CS..SBendtrans-80.2112.2-177.3-59.10000109.5P277 L290 K291 L299P277-T294 HydrophobicContact CG-CG2 4.37Å; L290-T294 WeakPolarHBondContact CD1-OG1 3.5Å; L290-T294 WeakPolarHBondContact O-CB 3.49Å; L290-T294 PolarHBondContact O-N 2.91Å; L290-T294 VanDerWaalsContact O-N 3.09Å; L290-T294 PolarHBondContact O-OG1 3.1Å; K291-T294 PolarHBondContact O-N 3.32Å; T294-L299 HydrophobicContact CG2-CB 4.1Å; T294-L299 HydrophobicContact CG2-CD1 4.49Å
295S96.7Very high97Very high54 Ų5464.7 Ų64.738%0.37836%0.357SS..  trans-66.5149.4176.781.90000111.8R293 K297 T298 L299R293-S295 PolarHBondContact O-N 3.23Å; S295-K297 PolarHBondContact O-N 3Å; S295-T298 PolarHBondContact O-N 3.48Å; S295-T298 VanDerWaalsContact O-N 3.1Å; S295-T298 PolarHBondContact OG-N 2.95Å; S295-T298 PolarHBondContact OG-OG1 2.71Å; S295-L299 PolarHBondContact O-N 2.84Å
296V97.1Very high97.2Very high34 Ų3459.6 Ų59.621%0.20633%0.33CS..Hα-helixtrans-57.8-34.9173.9650000112L299 C300 P308 Y311V296-L299 PolarHBondContact O-N 3.32Å; V296-C300 WeakPolarHBondContact O-CB 3.41Å; V296-C300 PolarHBondContact O-N 3.25Å; V296-C300 PolarHBondContact O-SG 3.28Å; V296-C300 VanDerWaalsContact O-SG 3.37Å; V296-P308 HydrophobicContact CG2-CB 4.11Å; V296-Y311 HydrophobicContact CB-CD1 3.71Å; V296-Y311 HydrophobicContact CB-CE1 4.01Å; V296-Y311 HydrophobicContact CB-CG 4.18Å; V296-Y311 HydrophobicContact CG1-CD1 4.38Å; V296-Y311 HydrophobicContact CG2-CD1 3.56Å; V296-Y311 HydrophobicContact CG2-CD2 4.4Å; V296-Y311 HydrophobicContact CG2-CE1 4.33Å; V296-Y311 HydrophobicContact CG2-CG 3.6Å
297K96.8Very high97.2Very high175 Ų17554.8 Ų54.876%0.76131%0.307SS*.Hα-helixtrans-61.7-43.8175.7-176.6179.4-179.8179.20111.8S295 S301S295-K297 PolarHBondContact O-N 3Å; K297-S301 PolarHBondContact O-N 3.09Å
298T97.1Very high97.3Very high99 Ų9956.2 Ų56.261%0.60732%0.317SS*.Hα-helixtrans-67.7-43.5176.4-55.10000110.9S295 C300 S301S295-T298 PolarHBondContact O-N 3.48Å; S295-T298 VanDerWaalsContact O-N 3.1Å; S295-T298 PolarHBondContact OG-N 2.95Å; S295-T298 PolarHBondContact OG-OG1 2.71Å; T298-C300 VanDerWaalsContact C-N 3.34Å; T298-C300 PolarHBondContact O-N 3.06Å; T298-S301 PolarHBondContact O-N 3.25Å
299L96.8Very high97.3Very high16 Ų1659.1 Ų59.18%0.08433%0.33CS..Hα-helixtrans-67.5-34.3-177-170.657.7000112.7F265 Y266 V269 L276 P277 W278 T294 S295 V296F265-L299 HydrophobicContact CE1-CD2 3.56Å; F265-L299 HydrophobicContact CE1-CG 4.42Å; F265-L299 HydrophobicContact CZ-CD2 4.06Å; Y266-L299 HydrophobicContact CD1-CD2 4.25Å; Y266-L299 HydrophobicContact CE1-CD2 3.97Å; V269-L299 HydrophobicContact CG1-CD1 3.94Å; V269-L299 HydrophobicContact CG1-CG 4.24Å; V269-L299 HydrophobicContact CG2-CG 4.43Å; L276-L299 HydrophobicContact CD2-CD1 4.32Å; P277-L299 HydrophobicContact CG-CD1 3.9Å; W278-L299 HydrophobicContact CH2-CD1 4.4Å; W278-L299 HydrophobicContact CH2-CD2 4.33Å; T294-L299 HydrophobicContact CG2-CB 4.1Å; T294-L299 HydrophobicContact CG2-CD1 4.49Å; S295-L299 PolarHBondContact O-N 2.84Å; V296-L299 PolarHBondContact O-N 3.32Å
300C97.8Very high97.4Very high9 Ų957.2 Ų57.26%0.06131%0.314CS..THydrogen-bonded Turntrans-100.414.1-179.4-54.40000113.8V296 T298 G302 L303 L307 P308V296-C300 WeakPolarHBondContact O-CB 3.41Å; V296-C300 PolarHBondContact O-N 3.25Å; V296-C300 PolarHBondContact O-SG 3.28Å; V296-C300 VanDerWaalsContact O-SG 3.37Å; T298-C300 VanDerWaalsContact C-N 3.34Å; T298-C300 PolarHBondContact O-N 3.06Å; C300-G302 PolarHBondContact O-N 2.98Å; C300-L303 HydrophobicContact CB-CB 4.5Å; C300-L303 WeakPolarHBondContact O-CB 3.19Å; C300-L303 PolarHBondContact O-N 3.38Å; C300-L307 HydrophobicContact CB-CB 4.44Å; C300-P308 HydrophobicContact CB-CG 3.79Å
301S96.8Very high97.4Very high95 Ų9558.5 Ų58.566%0.66432%0.317SS*.THydrogen-bonded Turntrans-60.6121.3-178.9-171.90000111K297 T298 L303K297-S301 PolarHBondContact O-N 3.09Å; T298-S301 PolarHBondContact O-N 3.25Å; S301-L303 VanDerWaalsContact C-N 3.29Å; S301-L303 PolarHBondContact O-N 2.79Å
302G95.7Very high97.4Very high83 Ų8362.2 Ų62.286%0.85634%0.337SS*.THydrogen-bonded Turntrans75.99.7-177.900000115.2C300C300-G302 PolarHBondContact O-N 2.98Å
303L97.5Very high97.5Very high31 Ų3158.6 Ų58.616%0.16232%0.322CS..SBendtrans-98.3168.3174.8-55.5-170000111V269 F272 T273 C300 S301 H305 L307V269-L303 HydrophobicContact CB-CD1 4.5Å; V269-L303 HydrophobicContact CG1-CD1 4.16Å; V269-L303 HydrophobicContact CG2-CD1 4.19Å; F272-L303 HydrophobicContact CB-CD1 4.38Å; F272-L303 HydrophobicContact CB-CD2 3.62Å; F272-L303 HydrophobicContact CD1-CD2 4.39Å; F272-L303 HydrophobicContact CG-CD2 4.08Å; T273-L303 HydrophobicContact CG2-CD1 4.12Å; T273-L303 HydrophobicContact CG2-CD2 3.87Å; T273-L303 HydrophobicContact CG2-CG 4.45Å; C300-L303 HydrophobicContact CB-CB 4.5Å; C300-L303 WeakPolarHBondContact O-CB 3.19Å; C300-L303 PolarHBondContact O-N 3.38Å; S301-L303 VanDerWaalsContact C-N 3.29Å; S301-L303 PolarHBondContact O-N 2.79Å; L303-H305 PolarHBondContact O-N 2.99Å; L303-L307 HydrophobicContact CB-CD1 3.72Å; L303-L307 HydrophobicContact CD1-CD1 3.62Å; L303-L307 HydrophobicContact CG-CD1 4.3Å
304P97.7Very high97.5Very high15 Ų1550.8 Ų50.810%0.09729%0.293CS..  trans-50.2136.3173.9-29.937.7000112.7F272 E306 L307 V335F272-P304 HydrophobicContact CE1-CG 4.04Å; F272-P304 HydrophobicContact CZ-CG 3.87Å; P304-E306 WeakPolarHBondContact CB-OE2 3.43Å; P304-E306 PolarHBondContact O-N 3.18Å; P304-E306 VanDerWaalsContact O-N 3.1Å; P304-L307 PolarHBondContact O-N 2.77Å; P304-V335 HydrophobicContact CB-CG1 4.28Å; P304-V335 HydrophobicContact CB-CG2 3.77Å; P304-V335 HydrophobicContact CG-CG1 4.08Å; P304-V335 HydrophobicContact CG-CG2 4.41Å
305H97Very high97.6Very high125 Ų12552.5 Ų52.558%0.57931%0.307SS*.THydrogen-bonded Turntrans-67.1-12.5-172.773.8-77.9000113.8L303 P308 R338L303-H305 PolarHBondContact O-N 2.99Å; H305-P308 WeakPolarHBondContact O-CD 3.33Å; H305-R338 PolarHBondContact CE1-NH1 3.34Å; H305-R338 VanDerWaalsContact CE1-NH1 3.31Å
306E98.1Very high97.6Very high5 Ų553.2 Ų53.22%0.02331%0.311CS..Hα-helixtrans-73.3-26.2172.3-62.284.1172.500113P304 L309 I310 Y331 V335 R338P304-E306 WeakPolarHBondContact CB-OE2 3.43Å; P304-E306 PolarHBondContact O-N 3.18Å; P304-E306 VanDerWaalsContact O-N 3.1Å; E306-L309 WeakPolarHBondContact O-CA 3.39Å; E306-L309 WeakPolarHBondContact O-CB 3.21Å; E306-L309 PolarHBondContact O-N 3.5Å; E306-I310 PolarHBondContact O-N 2.89Å; E306-Y331 HydrophobicContact CB-CD1 4.23Å; E306-Y331 HydrophobicContact CB-CG 4.39Å; E306-Y331 HydrophobicContact CG-CD1 4.18Å; E306-V335 HydrophobicContact CB-CG2 4.22Å; E306-V335 VanDerWaalsContact CD-CG2 3.46Å; E306-V335 HydrophobicContact CG-CG2 4.05Å; E306-V335 VanDerWaalsContact OE2-CG2 3.27Å; E306-V335 WeakPolarHBondContact OE2-CG2 3.36Å; E306-R338 IonicContact OE1-CZ 2.94Å; E306-R338 IonicContact OE1-NH1 3.53Å; E306-R338 PolarHBondContact OE1-NH1 2.87Å; E306-R338 IonicContact OE1-NH2 2.66Å; E306-R338 PolarHBondContact OE1-NH2 3.22Å; E306-R338 IonicContact OE2-CZ 2.97Å; E306-R338 IonicContact OE2-NH1 2.71Å; E306-R338 IonicContact OE2-NH2 3.97Å; E306-R338 PolarHBondContact OE2-NH2 2.59Å
307L98.2Very high97.7Very high2 Ų252.2 Ų52.21%0.0131%0.305CS..Hα-helixtrans-61.4-42.5-177.6-68.1-169.1000113.2F265 T268 F272 C300 L303 P304 L309 I310 Y311F265-L307 HydrophobicContact CE2-CB 4.28Å; F265-L307 WeakPolarHBondContact CE2-O 3.27Å; T268-L307 HydrophobicContact CG2-CD2 3.96Å; F272-L307 HydrophobicContact CD2-CD1 4.25Å; F272-L307 HydrophobicContact CE2-CD1 4.31Å; C300-L307 HydrophobicContact CB-CB 4.44Å; L303-L307 HydrophobicContact CB-CD1 3.72Å; L303-L307 HydrophobicContact CD1-CD1 3.62Å; L303-L307 HydrophobicContact CG-CD1 4.3Å; P304-L307 PolarHBondContact O-N 2.77Å; L307-L309 VanDerWaalsContact C-N 3.29Å; L307-L309 PolarHBondContact O-N 3.35Å; L307-I310 HydrophobicContact CD2-CD1 4Å; L307-I310 PolarHBondContact O-N 3.46Å; L307-Y311 PolarHBondContact O-N 3.15Å
308P98.4Very high97.7Very high35 Ų3550.4 Ų50.423%0.22730%0.297CS..Hα-helixtrans-57.7-36.5168.7-27.634.7000114.4V296 C300 H305 Y311 N312V296-P308 HydrophobicContact CG2-CB 4.11Å; C300-P308 HydrophobicContact CB-CG 3.79Å; H305-P308 WeakPolarHBondContact O-CD 3.33Å; P308-Y311 PolarHBondContact O-N 3.41Å; P308-N312 WeakPolarHBondContact O-CB 3.25Å; P308-N312 PolarHBondContact O-N 3.18Å; P308-N312 PolarHBondContact O-ND2 2.98Å
309L98.2Very high97.8Very high72 Ų7246.1 Ų46.138%0.37727%0.27SS..Hα-helixtrans-67-44.9178.3-55.6178.9000110.8E306 L307 Y311 N312 H313 Y331E306-L309 WeakPolarHBondContact O-CA 3.39Å; E306-L309 WeakPolarHBondContact O-CB 3.21Å; E306-L309 PolarHBondContact O-N 3.5Å; L307-L309 VanDerWaalsContact C-N 3.29Å; L307-L309 PolarHBondContact O-N 3.35Å; L309-Y311 PolarHBondContact O-N 3.28Å; L309-N312 PolarHBondContact O-N 3.35Å; L309-H313 PolarHBondContact O-N 3.37Å; L309-Y331 HydrophobicContact CB-CD1 4.46Å; L309-Y331 HydrophobicContact CB-CE1 3.89Å; L309-Y331 HydrophobicContact CB-CE2 4.13Å; L309-Y331 HydrophobicContact CD1-CD1 4.2Å; L309-Y331 HydrophobicContact CD1-CE1 3.56Å; L309-Y331 HydrophobicContact CG-CE1 4.38Å
310I98.5Very high97.8Very high6 Ų650.1 Ų50.13%0.03129%0.286CS..Hα-helixtrans-56.6-48.9173-71162000110.7F265 E306 L307 N312 H313 I314 L328 Y331 F332F265-I310 HydrophobicContact CD2-CG2 4.23Å; E306-I310 PolarHBondContact O-N 2.89Å; L307-I310 HydrophobicContact CD2-CD1 4Å; L307-I310 PolarHBondContact O-N 3.46Å; I310-N312 PolarHBondContact O-N 2.93Å; I310-H313 PolarHBondContact O-N 2.77Å; I310-I314 HydrophobicContact CG2-CD1 3.6Å; I310-I314 HydrophobicContact CG2-CG1 4.45Å; I310-I314 VanDerWaalsContact O-CG1 3.26Å; I310-I314 WeakPolarHBondContact O-CG1 3.47Å; I310-I314 PolarHBondContact O-N 2.77Å; I310-L328 HydrophobicContact CB-CD2 4.15Å; I310-L328 HydrophobicContact CG1-CD2 3.92Å; I310-L328 HydrophobicContact CG2-CD2 3.82Å; I310-Y331 HydrophobicContact CD1-CD2 4.44Å; I310-Y331 HydrophobicContact CD1-CG 4.44Å; I310-Y331 HydrophobicContact CG1-CD2 3.54Å; I310-Y331 HydrophobicContact CG1-CE2 4.4Å; I310-Y331 HydrophobicContact CG1-CG 3.98Å; I310-F332 HydrophobicContact CD1-CD1 3.86Å; I310-F332 HydrophobicContact CD1-CE1 3.41Å; I310-F332 VanDerWaalsContact CD1-CE1 3.41Å; I310-F332 HydrophobicContact CD1-CZ 4.1Å
311Y98.5Very high97.9Very high50 Ų5052.8 Ų52.820%0.19630%0.3CS..Hα-helixtrans-59.6-45.1179.1179.5-90.7000112.4M262 F265 V296 L307 P308 L309 I314 S315M262-Y311 HydrophobicContact CE-CD2 3.97Å; M262-Y311 HydrophobicContact CE-CE2 3.68Å; M262-Y311 HydrophobicContact SD-CD2 4.06Å; M262-Y311 HydrophobicContact SD-CE2 3.82Å; F265-Y311 AromaticContact CD1-CD2 3.8Å; F265-Y311 HydrophobicContact CD1-CD2 3.8Å; F265-Y311 HydrophobicContact CD1-CE2 4.48Å; F265-Y311 AromaticContact CE1-CD2 3.44Å; F265-Y311 HydrophobicContact CE1-CD2 3.44Å; F265-Y311 VanDerWaalsContact CE1-CD2 3.44Å; F265-Y311 HydrophobicContact CE1-CE2 4.11Å; F265-Y311 HydrophobicContact CE1-CG 4.33Å; F265-Y311 HydrophobicContact CE2-CD2 4.29Å; F265-Y311 HydrophobicContact CG-CD2 4.36Å; F265-Y311 AromaticContact CZ-CD2 3.72Å; F265-Y311 HydrophobicContact CZ-CD2 3.72Å; F265-Y311 HydrophobicContact CZ-CG 4.17Å; V296-Y311 HydrophobicContact CB-CD1 3.71Å; V296-Y311 HydrophobicContact CB-CE1 4.01Å; V296-Y311 HydrophobicContact CB-CG 4.18Å; V296-Y311 HydrophobicContact CG1-CD1 4.38Å; V296-Y311 HydrophobicContact CG2-CD1 3.56Å; V296-Y311 HydrophobicContact CG2-CD2 4.4Å; V296-Y311 HydrophobicContact CG2-CE1 4.33Å; V296-Y311 HydrophobicContact CG2-CG 3.6Å; L307-Y311 PolarHBondContact O-N 3.15Å; P308-Y311 PolarHBondContact O-N 3.41Å; L309-Y311 PolarHBondContact O-N 3.28Å; Y311-I314 PolarHBondContact O-N 3.29Å; Y311-S315 VanDerWaalsContact CE1-OG 3.25Å; Y311-S315 WeakPolarHBondContact CE1-OG 3.41Å; Y311-S315 VanDerWaalsContact O-CB 3.25Å; Y311-S315 WeakPolarHBondContact O-CB 3.14Å; Y311-S315 PolarHBondContact O-N 2.96Å; Y311-S315 PolarHBondContact O-OG 3.3Å
312N98Very high97.9Very high86 Ų8654.3 Ų54.346%0.4630%0.295SS..Hα-helixtrans-65-42.4-179.3-71.1-22000111.3P308 L309 I310 S315 S316P308-N312 WeakPolarHBondContact O-CB 3.25Å; P308-N312 PolarHBondContact O-N 3.18Å; P308-N312 PolarHBondContact O-ND2 2.98Å; L309-N312 PolarHBondContact O-N 3.35Å; I310-N312 PolarHBondContact O-N 2.93Å; N312-S315 PolarHBondContact O-N 3.08Å; N312-S316 PolarHBondContact O-N 3.11Å; N312-S316 VanDerWaalsContact O-N 3.13Å
313H98.2Very high98Very high45 Ų4550.5 Ų50.521%0.20826%0.255CS..Hα-helixtrans-56.8-54.8173178.378000111.2L309 I310 S315 S316 G324L309-H313 PolarHBondContact O-N 3.37Å; I310-H313 PolarHBondContact O-N 2.77Å; H313-S315 VanDerWaalsContact C-N 3.31Å; H313-S315 PolarHBondContact O-N 2.67Å; H313-S316 WeakPolarHBondContact O-CB 3.43Å; H313-S316 PolarHBondContact O-N 3.08Å; H313-S316 VanDerWaalsContact O-N 3.14Å; H313-S316 PolarHBondContact O-OG 2.61Å; H313-G324 PolarHBondContact NE2-N 3.28Å; H313-G324 VanDerWaalsContact NE2-N 3.17Å
314I98.5Very high98.1Very high7 Ų750.2 Ų50.24%0.03626%0.259CS..Hα-helixtrans-60.7-41.8-178.9-61.4163.2000111.3R258 M261 M262 F265 I310 Y311 S316 L317R258-I314 WeakPolarHBondContact O-CG2 3.25Å; M261-I314 HydrophobicContact CB-CD1 4.01Å; M261-I314 HydrophobicContact CB-CG1 3.95Å; M261-I314 HydrophobicContact CB-CG2 3.86Å; M262-I314 HydrophobicContact CB-CG2 4.11Å; M262-I314 HydrophobicContact CE-CB 4.34Å; M262-I314 HydrophobicContact CE-CG2 3.84Å; F265-I314 HydrophobicContact CB-CD1 4.14Å; I310-I314 HydrophobicContact CG2-CD1 3.6Å; I310-I314 HydrophobicContact CG2-CG1 4.45Å; I310-I314 VanDerWaalsContact O-CG1 3.26Å; I310-I314 WeakPolarHBondContact O-CG1 3.47Å; I310-I314 PolarHBondContact O-N 2.77Å; Y311-I314 PolarHBondContact O-N 3.29Å; I314-S316 PolarHBondContact O-N 3.27Å; I314-L317 WeakPolarHBondContact O-CB 3.43Å; I314-L317 PolarHBondContact O-N 3.01Å
315S97.5Very high98.1Very high59 Ų5949.8 Ų49.841%0.41326%0.256SS..Hα-helixtrans-67.4-21.3-178.9-59.90000113.3Y311 N312 H313Y311-S315 VanDerWaalsContact CE1-OG 3.25Å; Y311-S315 WeakPolarHBondContact CE1-OG 3.41Å; Y311-S315 VanDerWaalsContact O-CB 3.25Å; Y311-S315 WeakPolarHBondContact O-CB 3.14Å; Y311-S315 PolarHBondContact O-N 2.96Å; Y311-S315 PolarHBondContact O-OG 3.3Å; N312-S315 PolarHBondContact O-N 3.08Å; H313-S315 VanDerWaalsContact C-N 3.31Å; H313-S315 PolarHBondContact O-N 2.67Å
316S97.9Very high98.2Very high68 Ų6849.3 Ų49.348%0.47626%0.258SS..Hα-helixtrans-76.5-23.4176.377.10000113.3N312 H313 I314N312-S316 PolarHBondContact O-N 3.11Å; N312-S316 VanDerWaalsContact O-N 3.13Å; H313-S316 WeakPolarHBondContact O-CB 3.43Å; H313-S316 PolarHBondContact O-N 3.08Å; H313-S316 VanDerWaalsContact O-N 3.14Å; H313-S316 PolarHBondContact O-OG 2.61Å; I314-S316 PolarHBondContact O-N 3.27Å
317L98.4Very high98.2Very high14 Ų1452.3 Ų52.37%0.07328%0.276CS..  trans-66.9134.5-172.5-60.1173.9000113R258 I314 D321 P323R258-L317 HydrophobicContact CB-CB 3.76Å; R258-L317 HydrophobicContact CB-CD1 3.93Å; R258-L317 VanDerWaalsContact CD-O 3.25Å; R258-L317 WeakPolarHBondContact CD-O 3.4Å; R258-L317 PolarHBondContact NH1-O 2.83Å; I314-L317 WeakPolarHBondContact O-CB 3.43Å; I314-L317 PolarHBondContact O-N 3.01Å; L317-D321 HydrophobicContact CB-CB 4.31Å; L317-D321 HydrophobicContact CD2-CB 3.9Å; L317-P323 HydrophobicContact CD1-CB 4.05Å; L317-P323 HydrophobicContact CD1-CG 4.06Å
318K98Very high98.2Very high136 Ų13652.4 Ų52.459%0.59128%0.277SS*.  trans-88.1171.5169.1-49.8-53.3175.8-172.20110.9K320 D321K318-K320 VanDerWaalsContact C-N 3.28Å; K318-K320 PolarHBondContact O-N 3.42Å; K318-D321 WeakPolarHBondContact CB-OD2 3.09Å; K318-D321 PolarHBondContact N-OD2 2.96Å; K318-D321 PolarHBondContact O-N 3.48Å
319F98Very high98.2Very high10 Ų1052.3 Ų52.34%0.04427%0.273CS..THydrogen-bonded Turntrans-56.8-39.3-173.3178.2-102.6000113.3H229 K230 E232 D254 S256H229-F319 AromaticContact CE1-CD1 3.77Å; H229-F319 AromaticContact CE1-CE1 3.39Å; H229-F319 WeakPolarHBondContact CE1-CE1 3.25Å; H229-F319 AromaticContact CE1-CZ 3.89Å; H229-F319 AromaticContact ND1-CE1 3.84Å; H229-F319 PolarHBondContact NE2-O 3.09Å; K230-F319 WeakPolarHBondContact O-CE1 3.41Å; E232-F319 VanDerWaalsContact CA-CE1 3.47Å; E232-F319 HydrophobicContact CB-CD1 3.66Å; E232-F319 HydrophobicContact CB-CD2 4.36Å; E232-F319 HydrophobicContact CB-CE1 3.67Å; E232-F319 HydrophobicContact CB-CE2 4.39Å; E232-F319 HydrophobicContact CB-CG 4.02Å; E232-F319 HydrophobicContact CB-CZ 4.06Å; E232-F319 HydrophobicContact CG-CD1 4.22Å; E232-F319 HydrophobicContact CG-CD2 4.01Å; E232-F319 HydrophobicContact CG-CE1 4.29Å; E232-F319 HydrophobicContact CG-CE2 4.12Å; E232-F319 HydrophobicContact CG-CG 4.08Å; E232-F319 HydrophobicContact CG-CZ 4.25Å; D254-F319 HydrophobicContact CB-CE2 3.66Å; D254-F319 HydrophobicContact CB-CZ 4.04Å; D254-F319 WeakPolarHBondContact O-CD2 3.48Å; D254-F319 WeakPolarHBondContact O-CE2 3.41Å; S256-F319 WeakPolarHBondContact CB-O 2.86Å; S256-F319 PolarHBondContact OG-O 3.11Å
320K97.9Very high98.2Very high99 Ų9953.6 Ų53.643%0.4328%0.277SS..THydrogen-bonded Turntrans-93-5.1-177.9-61.9-167.1176.1-174.80114.2H229 D231 R257 K318H229-K320 HydrophobicContact CB-CD 4.46Å; H229-K320 HydrophobicContact CB-CG 4.48Å; D231-K320 WeakPolarHBondContact OD1-CE 3.34Å; D231-K320 IonicContact OD1-NZ 3.46Å; D231-K320 PolarHBondContact OD1-NZ 3.01Å; R257-K320 PolarHBondContact NH2-O 2.66Å; K318-K320 VanDerWaalsContact C-N 3.28Å; K318-K320 PolarHBondContact O-N 3.42Å
321D98Very high98.2Very high65 Ų6555.8 Ų55.835%0.34829%0.285SS..PPolyproline II helixtrans-67.5143.6-173.8-66.2-5.6000111R257 L317 K318R257-D321 PolarHBondContact NE-O 3.07Å; R257-D321 VanDerWaalsContact NH2-C 3.31Å; R257-D321 PolarHBondContact NH2-O 2.86Å; L317-D321 HydrophobicContact CB-CB 4.31Å; L317-D321 HydrophobicContact CD2-CB 3.9Å; K318-D321 WeakPolarHBondContact CB-OD2 3.09Å; K318-D321 PolarHBondContact N-OD2 2.96Å; K318-D321 PolarHBondContact O-N 3.48Å
322K98Very high98.2Very high127 Ų12753.6 Ų53.655%0.55228%0.277SS*.PPolyproline II helixtrans-82.9122.7167-173177.6-179.6177.10107E186 G324 Y325E186-K322 IonicContact OE1-NZ 2.65Å; K322-G324 PolarHBondContact O-N 2.85Å; K322-Y325 HydrophobicContact CG-CE2 3.96Å
323P98.4Very high98.1Very high3 Ų352.3 Ų52.32%0.01927%0.27CS..PPolyproline II helixtrans-55.4137.5170.3-22.532000110.6R257 M261 L317 Y325 L328R257-P323 HydrophobicContact CB-CG 3.85Å; M261-P323 HydrophobicContact CG-CB 4.07Å; M261-P323 HydrophobicContact CG-CG 3.86Å; M261-P323 HydrophobicContact SD-CB 4.44Å; L317-P323 HydrophobicContact CD1-CB 4.05Å; L317-P323 HydrophobicContact CD1-CG 4.06Å; P323-Y325 HydrophobicContact CB-CD1 4.22Å; P323-Y325 HydrophobicContact CB-CE1 3.87Å; P323-Y325 HydrophobicContact CB-CE2 4.31Å; P323-Y325 HydrophobicContact CG-CE1 4.03Å; P323-Y325 HydrophobicContact CG-CE2 4.45Å; P323-Y325 WeakPolarHBondContact O-CD2 3.32Å; P323-Y325 WeakPolarHBondContact O-CE2 3.14Å; P323-Y325 PolarHBondContact O-N 3.14Å; P323-L328 HydrophobicContact CB-CD1 4.49Å
324G98.2Very high98.1Very high25 Ų2553.1 Ų53.126%0.25828%0.276SS..  trans-69.575.8169.100000111.4H313 K322 D326 T327 L328H313-G324 PolarHBondContact NE2-N 3.28Å; H313-G324 VanDerWaalsContact NE2-N 3.17Å; K322-G324 PolarHBondContact O-N 2.85Å; G324-D326 VanDerWaalsContact C-N 3.33Å; G324-D326 PolarHBondContact O-N 3.34Å; G324-T327 WeakPolarHBondContact O-CB 3.4Å; G324-T327 PolarHBondContact O-N 3.2Å; G324-L328 WeakPolarHBondContact O-CG 3.36Å; G324-L328 PolarHBondContact O-N 3.29Å
325Y98.6Very high98.1Very high6 Ų652.9 Ų52.92%0.02428%0.275CS..Hα-helixtrans-57.9-43.4-174.7-61.9-74.2000112.3L178 E182 H185 M261 K322 P323 T327 L328 K329L178-Y325 HydrophobicContact CD1-CD1 3.97Å; E182-Y325 HydrophobicContact CB-CD1 3.79Å; E182-Y325 HydrophobicContact CB-CD2 4.49Å; E182-Y325 HydrophobicContact CB-CE1 3.98Å; E182-Y325 HydrophobicContact CB-CG 4.08Å; E182-Y325 HydrophobicContact CG-CD1 4.02Å; E182-Y325 HydrophobicContact CG-CD2 3.83Å; E182-Y325 HydrophobicContact CG-CE1 4.33Å; E182-Y325 HydrophobicContact CG-CE2 4.13Å; E182-Y325 HydrophobicContact CG-CG 3.77Å; E182-Y325 WeakPolarHBondContact OE1-CB 3.14Å; H185-Y325 VanDerWaalsContact CB-OH 3.28Å; H185-Y325 WeakPolarHBondContact CB-OH 3.37Å; H185-Y325 AromaticContact ND1-CE1 3.92Å; H185-Y325 AromaticContact ND1-CZ 3.71Å; H185-Y325 PolarHBondContact ND1-OH 3.13Å; M261-Y325 HydrophobicContact CE-CE1 4.14Å; M261-Y325 HydrophobicContact SD-CE1 4.13Å; K322-Y325 HydrophobicContact CG-CE2 3.96Å; P323-Y325 HydrophobicContact CB-CD1 4.22Å; P323-Y325 HydrophobicContact CB-CE1 3.87Å; P323-Y325 HydrophobicContact CB-CE2 4.31Å; P323-Y325 HydrophobicContact CG-CE1 4.03Å; P323-Y325 HydrophobicContact CG-CE2 4.45Å; P323-Y325 WeakPolarHBondContact O-CD2 3.32Å; P323-Y325 WeakPolarHBondContact O-CE2 3.14Å; P323-Y325 PolarHBondContact O-N 3.14Å; Y325-T327 VanDerWaalsContact C-N 3.33Å; Y325-T327 PolarHBondContact O-N 2.65Å; Y325-L328 CarbonylContact O-C 3.57Å; Y325-L328 WeakPolarHBondContact O-CB 3.49Å; Y325-L328 PolarHBondContact O-N 2.92Å; Y325-L328 VanDerWaalsContact O-N 3.09Å; Y325-K329 WeakPolarHBondContact O-CG 3.25Å; Y325-K329 PolarHBondContact O-N 2.89Å
326D98.4Very high98.1Very high116 Ų11650.6 Ų50.662%0.6226%0.258SS*.Hα-helixtrans-63.8-39.4-179.7-59.9-30.5000112.2G324 L328 K329 Q330G324-D326 VanDerWaalsContact C-N 3.33Å; G324-D326 PolarHBondContact O-N 3.34Å; D326-L328 VanDerWaalsContact C-N 3.33Å; D326-L328 PolarHBondContact O-N 3.42Å; D326-K329 PolarHBondContact O-N 2.88Å; D326-K329 IonicContact OD1-NZ 2.65Å; D326-K329 PolarHBondContact OD1-NZ 2.76Å; D326-Q330 WeakPolarHBondContact O-CB 3.36Å; D326-Q330 PolarHBondContact O-N 3.1Å
327T98Very high98.1Very high67 Ų6751.9 Ų51.941%0.41127%0.267SS..Hα-helixtrans-62.8-41.3172.7-50.60000111.5G324 Y325 Q330 Y331G324-T327 WeakPolarHBondContact O-CB 3.4Å; G324-T327 PolarHBondContact O-N 3.2Å; Y325-T327 VanDerWaalsContact C-N 3.33Å; Y325-T327 PolarHBondContact O-N 2.65Å; T327-Q330 PolarHBondContact O-N 3.49Å; T327-Y331 HydrophobicContact CG2-CD2 4.41Å; T327-Y331 HydrophobicContact CG2-CE2 3.75Å; T327-Y331 VanDerWaalsContact O-CD2 3.22Å; T327-Y331 WeakPolarHBondContact O-CD2 3.37Å; T327-Y331 PolarHBondContact O-N 2.88Å; T327-Y331 VanDerWaalsContact O-N 3.14Å
328L98.5Very high98Very high4 Ų456 Ų562%0.02128%0.281CS..Hα-helixtrans-66.9-39.2177.3-69.9173.3000112.4L178 M261 I310 P323 G324 Y325 D326 Y331 F332L178-L328 HydrophobicContact CD1-CB 4.35Å; L178-L328 HydrophobicContact CD1-CD1 4.21Å; L178-L328 HydrophobicContact CD2-CB 3.58Å; M261-L328 HydrophobicContact SD-CD1 4.1Å; I310-L328 HydrophobicContact CB-CD2 4.15Å; I310-L328 HydrophobicContact CG1-CD2 3.92Å; I310-L328 HydrophobicContact CG2-CD2 3.82Å; P323-L328 HydrophobicContact CB-CD1 4.49Å; G324-L328 WeakPolarHBondContact O-CG 3.36Å; G324-L328 PolarHBondContact O-N 3.29Å; Y325-L328 CarbonylContact O-C 3.57Å; Y325-L328 WeakPolarHBondContact O-CB 3.49Å; Y325-L328 PolarHBondContact O-N 2.92Å; Y325-L328 VanDerWaalsContact O-N 3.09Å; D326-L328 VanDerWaalsContact C-N 3.33Å; D326-L328 PolarHBondContact O-N 3.42Å; L328-Y331 HydrophobicContact CD2-CD2 4.4Å; L328-Y331 PolarHBondContact O-N 2.85Å; L328-F332 PolarHBondContact O-N 2.6Å
329K98.4Very high97.9Very high34 Ų3453.7 Ų53.715%0.14827%0.272CS..Hα-helixtrans-63.1-46.1173.1-67.7169.2-155.7151.60110.5L178 E182 Y325 D326 Y331 F332 D333L178-K329 HydrophobicContact CD2-CB 4.38Å; L178-K329 HydrophobicContact CD2-CG 3.64Å; L178-K329 HydrophobicContact CG-CG 4.37Å; E182-K329 IonicContact OE1-NZ 3.08Å; E182-K329 PolarHBondContact OE1-NZ 2.92Å; E182-K329 WeakPolarHBondContact OE2-CE 3.4Å; E182-K329 IonicContact OE2-NZ 3.53Å; E182-K329 PolarHBondContact OE2-NZ 2.95Å; Y325-K329 WeakPolarHBondContact O-CG 3.25Å; Y325-K329 PolarHBondContact O-N 2.89Å; D326-K329 PolarHBondContact O-N 2.88Å; D326-K329 IonicContact OD1-NZ 2.65Å; D326-K329 PolarHBondContact OD1-NZ 2.76Å; K329-Y331 VanDerWaalsContact C-N 3.28Å; K329-Y331 PolarHBondContact O-N 2.88Å; K329-F332 CarbonylContact O-C 3.43Å; K329-F332 WeakPolarHBondContact O-CA 3.47Å; K329-F332 WeakPolarHBondContact O-CB 3.48Å; K329-F332 PolarHBondContact O-N 3.22Å; K329-D333 PolarHBondContact O-N 3.18Å
330Q98.3Very high97.9Very high98 Ų9862.3 Ų62.346%0.45831%0.31SS..Hα-helixtrans-56.5-42178.2-172.561.958.300112D326 T327 F332 D333 D334D326-Q330 WeakPolarHBondContact O-CB 3.36Å; D326-Q330 PolarHBondContact O-N 3.1Å; T327-Q330 PolarHBondContact O-N 3.49Å; Q330-F332 VanDerWaalsContact C-N 3.26Å; Q330-F332 PolarHBondContact O-N 3.19Å; Q330-D333 PolarHBondContact O-N 3.39Å; Q330-D333 VanDerWaalsContact O-N 3.15Å; Q330-D334 PolarHBondContact NE2-OD1 3.09Å; Q330-D334 WeakPolarHBondContact O-CB 3.32Å; Q330-D334 PolarHBondContact O-N 3.33Å
331Y98.4Very high97.8Very high52 Ų5258.8 Ų58.820%0.20430%0.297CS..Hα-helixtrans-59.9-35174.2-72.4-45.4000113.3E306 L309 I310 T327 L328 K329 V335E306-Y331 HydrophobicContact CB-CD1 4.23Å; E306-Y331 HydrophobicContact CB-CG 4.39Å; E306-Y331 HydrophobicContact CG-CD1 4.18Å; L309-Y331 HydrophobicContact CB-CD1 4.46Å; L309-Y331 HydrophobicContact CB-CE1 3.89Å; L309-Y331 HydrophobicContact CB-CE2 4.13Å; L309-Y331 HydrophobicContact CD1-CD1 4.2Å; L309-Y331 HydrophobicContact CD1-CE1 3.56Å; L309-Y331 HydrophobicContact CG-CE1 4.38Å; I310-Y331 HydrophobicContact CD1-CD2 4.44Å; I310-Y331 HydrophobicContact CD1-CG 4.44Å; I310-Y331 HydrophobicContact CG1-CD2 3.54Å; I310-Y331 HydrophobicContact CG1-CE2 4.4Å; I310-Y331 HydrophobicContact CG1-CG 3.98Å; T327-Y331 HydrophobicContact CG2-CD2 4.41Å; T327-Y331 HydrophobicContact CG2-CE2 3.75Å; T327-Y331 VanDerWaalsContact O-CD2 3.22Å; T327-Y331 WeakPolarHBondContact O-CD2 3.37Å; T327-Y331 PolarHBondContact O-N 2.88Å; T327-Y331 VanDerWaalsContact O-N 3.14Å; L328-Y331 HydrophobicContact CD2-CD2 4.4Å; L328-Y331 PolarHBondContact O-N 2.85Å; K329-Y331 VanDerWaalsContact C-N 3.28Å; K329-Y331 PolarHBondContact O-N 2.88Å; Y331-V335 WeakPolarHBondContact O-CG2 3.06Å; Y331-V335 PolarHBondContact O-N 3.41Å
332F97.8Very high97.6Very high5 Ų562.3 Ų62.32%0.02231%0.309CS..Hα-helixtrans-74.8-37.4174.2-63.5-32.8000112.1I171 A174 H175 L178 I310 L328 K329 Q330 D334 V335 L336I171-F332 HydrophobicContact CD1-CB 4.05Å; I171-F332 HydrophobicContact CD1-CD1 3.35Å; I171-F332 HydrophobicContact CD1-CE1 4.06Å; I171-F332 HydrophobicContact CD1-CG 4Å; I171-F332 HydrophobicContact CG1-CB 4.15Å; I171-F332 HydrophobicContact CG1-CD1 4.32Å; A174-F332 HydrophobicContact CB-CE1 4Å; A174-F332 HydrophobicContact CB-CE2 4.01Å; A174-F332 HydrophobicContact CB-CZ 3.69Å; H175-F332 HydrophobicContact CB-CB 4.23Å; H175-F332 HydrophobicContact CB-CD2 4.09Å; L178-F332 HydrophobicContact CB-CE2 4.08Å; L178-F332 HydrophobicContact CD2-CD2 3.96Å; L178-F332 HydrophobicContact CD2-CE2 3.78Å; I310-F332 HydrophobicContact CD1-CD1 3.86Å; I310-F332 HydrophobicContact CD1-CE1 3.41Å; I310-F332 VanDerWaalsContact CD1-CE1 3.41Å; I310-F332 HydrophobicContact CD1-CZ 4.1Å; L328-F332 PolarHBondContact O-N 2.6Å; K329-F332 CarbonylContact O-C 3.43Å; K329-F332 WeakPolarHBondContact O-CA 3.47Å; K329-F332 WeakPolarHBondContact O-CB 3.48Å; K329-F332 PolarHBondContact O-N 3.22Å; Q330-F332 VanDerWaalsContact C-N 3.26Å; Q330-F332 PolarHBondContact O-N 3.19Å; F332-D334 VanDerWaalsContact C-N 3.34Å; F332-V335 WeakPolarHBondContact O-CB 3.41Å; F332-V335 PolarHBondContact O-N 3.22Å; F332-L336 WeakPolarHBondContact O-CG 3.4Å; F332-L336 PolarHBondContact O-N 3.07Å
333D97.9Very high97.2Very high58 Ų5860 Ų6031%0.3130%0.301SS..Hα-helixtrans-64.2-37.6175.4-66.7-30.2000112.3H175 K329 Q330 V335 L336 S337H175-D333 IonicContact CD2-OD1 2.67Å; H175-D333 IonicContact NE2-OD1 2.66Å; K329-D333 PolarHBondContact O-N 3.18Å; Q330-D333 PolarHBondContact O-N 3.39Å; Q330-D333 VanDerWaalsContact O-N 3.15Å; D333-V335 VanDerWaalsContact C-N 3.32Å; D333-V335 PolarHBondContact O-N 3.3Å; D333-L336 WeakPolarHBondContact O-CB 3.32Å; D333-L336 PolarHBondContact O-N 3.35Å; D333-S337 WeakPolarHBondContact O-CB 3.37Å; D333-S337 PolarHBondContact O-N 3.32Å
334D98Very high96.8Very high63 Ų6366.2 Ų66.234%0.33733%0.334SS..Hα-helixtrans-63.2-39.3175.7-67.6-18.6000111.4Q330 F332 R338Q330-D334 PolarHBondContact NE2-OD1 3.09Å; Q330-D334 WeakPolarHBondContact O-CB 3.32Å; Q330-D334 PolarHBondContact O-N 3.33Å; F332-D334 VanDerWaalsContact C-N 3.34Å; D334-R338 WeakPolarHBondContact O-CB 3.39Å; D334-R338 PolarHBondContact O-N 2.85Å
335V97.8Very high96.4Very high1 Ų167.2 Ų67.21%0.00633%0.334CS..Hα-helixtrans-66.1-46.8173.1178.60000110.5V167 I171 P304 E306 Y331 F332 D333 S337 R338 E339V167-V335 HydrophobicContact CG1-CG1 4.28Å; I171-V335 HydrophobicContact CB-CG1 4.25Å; I171-V335 HydrophobicContact CD1-CB 3.87Å; I171-V335 HydrophobicContact CD1-CG1 3.89Å; I171-V335 HydrophobicContact CD1-CG2 4.06Å; I171-V335 HydrophobicContact CG1-CB 3.84Å; I171-V335 HydrophobicContact CG1-CG1 3.77Å; P304-V335 HydrophobicContact CB-CG1 4.28Å; P304-V335 HydrophobicContact CB-CG2 3.77Å; P304-V335 HydrophobicContact CG-CG1 4.08Å; P304-V335 HydrophobicContact CG-CG2 4.41Å; E306-V335 HydrophobicContact CB-CG2 4.22Å; E306-V335 VanDerWaalsContact CD-CG2 3.46Å; E306-V335 HydrophobicContact CG-CG2 4.05Å; E306-V335 VanDerWaalsContact OE2-CG2 3.27Å; E306-V335 WeakPolarHBondContact OE2-CG2 3.36Å; Y331-V335 WeakPolarHBondContact O-CG2 3.06Å; Y331-V335 PolarHBondContact O-N 3.41Å; F332-V335 WeakPolarHBondContact O-CB 3.41Å; F332-V335 PolarHBondContact O-N 3.22Å; D333-V335 VanDerWaalsContact C-N 3.32Å; D333-V335 PolarHBondContact O-N 3.3Å; V335-S337 VanDerWaalsContact C-N 3.32Å; V335-S337 PolarHBondContact O-N 3.29Å; V335-R338 PolarHBondContact O-N 2.66Å; V335-E339 HydrophobicContact CG1-CG 4.14Å; V335-E339 WeakPolarHBondContact O-CB 3.43Å; V335-E339 WeakPolarHBondContact O-CG 3.37Å; V335-E339 PolarHBondContact O-N 2.88Å
336L96.9Very high96Very high11 Ų1169.7 Ų69.76%0.05835%0.351CS..Hα-helixtrans-56.1-46.8177.3-74.8169.5000111.6I171 R172 F332 D333 E339 K340 V341 M343I171-L336 HydrophobicContact CG1-CG 4.45Å; I171-L336 HydrophobicContact CG2-CD2 3.44Å; I171-L336 VanDerWaalsContact CG2-CD2 3.44Å; I171-L336 HydrophobicContact CG2-CG 3.97Å; R172-L336 HydrophobicContact CG-CD2 3.63Å; F332-L336 WeakPolarHBondContact O-CG 3.4Å; F332-L336 PolarHBondContact O-N 3.07Å; D333-L336 WeakPolarHBondContact O-CB 3.32Å; D333-L336 PolarHBondContact O-N 3.35Å; L336-E339 PolarHBondContact O-N 2.77Å; L336-K340 PolarHBondContact O-N 2.69Å; L336-V341 HydrophobicContact CD2-CB 3.83Å; L336-V341 HydrophobicContact CD2-CG1 3.66Å; L336-V341 PolarHBondContact O-N 3.24Å; L336-M343 HydrophobicContact CD1-CG 4.36Å; L336-M343 HydrophobicContact CD1-SD 3.66Å
337S97.5Very high95.7Very high95 Ų9565.1 Ų65.166%0.66433%0.325SS*.Hα-helixtrans-62-49.3178.7-175.10000111.9D333 V335 E339 K340D333-S337 WeakPolarHBondContact O-CB 3.37Å; D333-S337 PolarHBondContact O-N 3.32Å; V335-S337 VanDerWaalsContact C-N 3.32Å; V335-S337 PolarHBondContact O-N 3.29Å; S337-E339 PolarHBondContact O-N 2.64Å; S337-K340 PolarHBondContact O-N 2.95Å
338R97.4Very high95.4Very high101 Ų10162 Ų6238%0.38131%0.306SS..Hα-helixtrans-60.7-43.6178.7177.4179.357-108.210112.4H305 E306 D334 V335 K340H305-R338 PolarHBondContact CE1-NH1 3.34Å; H305-R338 VanDerWaalsContact CE1-NH1 3.31Å; E306-R338 IonicContact OE1-CZ 2.94Å; E306-R338 IonicContact OE1-NH1 3.53Å; E306-R338 PolarHBondContact OE1-NH1 2.87Å; E306-R338 IonicContact OE1-NH2 2.66Å; E306-R338 PolarHBondContact OE1-NH2 3.22Å; E306-R338 IonicContact OE2-CZ 2.97Å; E306-R338 IonicContact OE2-NH1 2.71Å; E306-R338 IonicContact OE2-NH2 3.97Å; E306-R338 PolarHBondContact OE2-NH2 2.59Å; D334-R338 WeakPolarHBondContact O-CB 3.39Å; D334-R338 PolarHBondContact O-N 2.85Å; V335-R338 PolarHBondContact O-N 2.66Å; R338-K340 PolarHBondContact O-N 2.9Å
339E96.3Very high94.9Very high87 Ų8762.2 Ų62.241%0.40731%0.307SS..Hα-helixtrans-83.3-1.9-177.3-57.6-65.8145.700112.5V167 V335 L336 S337 V341V167-E339 HydrophobicContact CG1-CB 4.47Å; V167-E339 HydrophobicContact CG1-CG 3.72Å; V335-E339 HydrophobicContact CG1-CG 4.14Å; V335-E339 WeakPolarHBondContact O-CB 3.43Å; V335-E339 WeakPolarHBondContact O-CG 3.37Å; V335-E339 PolarHBondContact O-N 2.88Å; L336-E339 PolarHBondContact O-N 2.77Å; S337-E339 PolarHBondContact O-N 2.64Å; E339-V341 HydrophobicContact CB-CG2 3.92Å; E339-V341 PolarHBondContact O-N 3.36Å
340K97.2Very high94.3Very high191 Ų19163 Ų6383%0.8331%0.31SS*.THydrogen-bonded Turntrans55.638.3-178.3-55.6177.4-178.6177.40112.8L336 S337 R338L336-K340 PolarHBondContact O-N 2.69Å; S337-K340 PolarHBondContact O-N 2.95Å; R338-K340 PolarHBondContact O-N 2.9Å
341V95.3Very high93.7Very high26 Ų2661.6 Ų61.616%0.15830%0.301CS..  trans-97.5133.1179.2175.30000109.2R172 L336 E339R172-V341 HydrophobicContact CG-CG1 4.28Å; L336-V341 HydrophobicContact CD2-CB 3.83Å; L336-V341 HydrophobicContact CD2-CG1 3.66Å; L336-V341 PolarHBondContact O-N 3.24Å; E339-V341 HydrophobicContact CB-CG2 3.92Å; E339-V341 PolarHBondContact O-N 3.36Å
342K93.7Very high93Very high138 Ų13863.8 Ų63.860%0.632%0.316SS*.  trans-97.1150.3174.5-58.9179178.6179.50111R172 D344 D345R172-K342 WeakPolarHBondContact CD-O 3.04Å; K342-D344 WeakPolarHBondContact CB-OD1 3.44Å; K342-D344 PolarHBondContact O-N 2.86Å; K342-D345 PolarHBondContact N-OD2 2.73Å; K342-D345 WeakPolarHBondContact O-CB 3.45Å; K342-D345 PolarHBondContact O-N 3.4Å; K342-D345 VanDerWaalsContact O-N 3.12Å
343M91Very high92.4Very high78 Ų7869.4 Ų69.438%0.38434%0.343SS..THydrogen-bonded Turntrans-59.6-31.1179.1-76.5-60.9-71.900113.3R172 Q176 L336R172-M343 HydrophobicContact CB-SD 4.41Å; R172-M343 HydrophobicContact CG-SD 3.84Å; Q176-M343 HydrophobicContact CG-CE 4.15Å; L336-M343 HydrophobicContact CD1-CG 4.36Å; L336-M343 HydrophobicContact CD1-SD 3.66Å
344D89.3Confident91.7Very high135 Ų13568.7 Ų68.772%0.72234%0.337SS*.THydrogen-bonded Turntrans-90.93.9-179.866-26.2000114.3K342K342-D344 WeakPolarHBondContact CB-OD1 3.44Å; K342-D344 PolarHBondContact O-N 2.86Å
345D90.8Very high90.9Very high45 Ų4565.9 Ų65.924%0.24132%0.322CS..SBendtrans-61.3146.8174.2-77.3-25.8000111.1R172 K342 F347R172-D345 VanDerWaalsContact CZ-O 3.25Å; R172-D345 PolarHBondContact NH1-O 3.2Å; R172-D345 PolarHBondContact NH2-O 3.26Å; K342-D345 PolarHBondContact N-OD2 2.73Å; K342-D345 WeakPolarHBondContact O-CB 3.45Å; K342-D345 PolarHBondContact O-N 3.4Å; K342-D345 VanDerWaalsContact O-N 3.12Å; D345-F347 PolarHBondContact O-N 3.33Å
346P89.5Confident90.2Very high59 Ų5969.9 Ų69.938%0.38335%0.347SS..PPolyproline II helixtrans-58131.9174.5-23.333000111.3R172 Q350 R351R172-P346 PolarHBondContact NH2-O 3.05Å; P346-Q350 HydrophobicContact CB-CB 4.1Å; P346-R351 HydrophobicContact CB-CG 3.92Å; P346-R351 PolarHBondContact O-NE 3.39Å; P346-R351 PolarHBondContact O-NH2 2.71Å
347F91.3Very high89.5Confident19 Ų1971.9 Ų71.98%0.08336%0.359CS..PPolyproline II helixtrans-64.2161.6166.7-67.5-71.4000111.5T169 R172 D345 W349 Q350 R351T169-F347 HydrophobicContact CG2-CD1 3.95Å; R172-F347 HydrophobicContact CB-CE1 3.98Å; R172-F347 VanDerWaalsContact NH1-CE1 3.26Å; R172-F347 VanDerWaalsContact NH2-CD1 3.34Å; D345-F347 PolarHBondContact O-N 3.33Å; F347-W349 HydrophobicContact CB-CD2 3.69Å; F347-W349 VanDerWaalsContact CB-CE2 3.41Å; F347-W349 HydrophobicContact CB-CE3 3.96Å; F347-W349 HydrophobicContact CB-CG 4.36Å; F347-W349 HydrophobicContact CB-CH2 3.74Å; F347-W349 HydrophobicContact CB-CZ2 3.45Å; F347-W349 VanDerWaalsContact CB-CZ2 3.45Å; F347-W349 HydrophobicContact CB-CZ3 3.99Å; F347-W349 AromaticContact CD1-CH2 3.59Å; F347-W349 HydrophobicContact CD1-CH2 3.59Å; F347-W349 AromaticContact CD1-CZ2 3.8Å; F347-W349 HydrophobicContact CD1-CZ2 3.8Å; F347-W349 HydrophobicContact CD1-CZ3 4.26Å; F347-W349 HydrophobicContact CD2-CH2 4.2Å; F347-W349 AromaticContact CD2-CZ2 3.53Å; F347-W349 HydrophobicContact CD2-CZ2 3.53Å; F347-W349 HydrophobicContact CE1-CH2 4.14Å; F347-W349 HydrophobicContact CE1-CZ2 4.36Å; F347-W349 HydrophobicContact CE2-CZ2 4.14Å; F347-W349 HydrophobicContact CG-CD2 4.49Å; F347-W349 AromaticContact CG-CE2 3.8Å; F347-W349 AromaticContact CG-CH2 3.59Å; F347-W349 HydrophobicContact CG-CH2 3.59Å; F347-W349 AromaticContact CG-CZ2 3.31Å; F347-W349 HydrophobicContact CG-CZ2 3.31Å; F347-W349 HydrophobicContact CG-CZ3 4.29Å; F347-W349 PolarHBondContact O-N 3.25Å; F347-Q350 HydrophobicContact CB-CG 4.42Å; F347-Q350 WeakPolarHBondContact O-CA 3.37Å; F347-Q350 WeakPolarHBondContact O-CB 3.44Å; F347-Q350 PolarHBondContact O-N 2.89Å; F347-R351 PolarHBondContact O-N 3.4Å
348D92.1Very high89Confident1 Ų172.3 Ų72.31%0.00535%0.351CS..G310 helixtrans-56.6-40.6-176.6-61.4-13.5000112M160 F165 T166 T169 Q350 R351 F354M160-D348 HydrophobicContact SD-CB 3.52Å; M160-D348 VanDerWaalsContact SD-CB 3.52Å; F165-D348 WeakPolarHBondContact CA-OD2 3.5Å; F165-D348 WeakPolarHBondContact CB-OD2 3.39Å; F165-D348 HydrophobicContact CD1-CB 4.41Å; T166-D348 WeakPolarHBondContact CB-OD1 3.43Å; T166-D348 VanDerWaalsContact CG2-OD1 3.28Å; T166-D348 WeakPolarHBondContact CG2-OD1 3.49Å; T166-D348 PolarHBondContact N-OD2 2.84Å; T166-D348 PolarHBondContact OG1-OD1 3.32Å; T166-D348 PolarHBondContact OG1-OD2 3.07Å; T169-D348 VanDerWaalsContact CB-CG 3.49Å; T169-D348 WeakPolarHBondContact CB-OD1 2.87Å; T169-D348 WeakPolarHBondContact CB-OD2 3.36Å; T169-D348 HydrophobicContact CG2-CB 4.39Å; T169-D348 PolarHBondContact OG1-N 3.21Å; T169-D348 PolarHBondContact OG1-OD1 2.76Å; D348-Q350 PolarHBondContact O-N 3.1Å; D348-R351 PolarHBondContact O-N 3.29Å; D348-R351 VanDerWaalsContact O-N 3.13Å; D348-F354 HydrophobicContact CB-CD2 3.82Å; D348-F354 HydrophobicContact CB-CE2 4.32Å; D348-F354 HydrophobicContact CB-CG 4.26Å; D348-F354 WeakPolarHBondContact O-CB 3.24Å
349W88.1Confident88.3Confident10 Ų1070 Ų704%0.03835%0.353CS..G310 helixtrans-70.8-6.8177.257.987.6000114.6L153 W156 M160 F165 T169 L211 F347L153-W349 HydrophobicContact CD2-CH2 3.52Å; L153-W349 HydrophobicContact CD2-CZ2 4.21Å; L153-W349 HydrophobicContact CD2-CZ3 3.84Å; W156-W349 HydrophobicContact CB-CD2 4.43Å; W156-W349 HydrophobicContact CB-CE3 4.05Å; W156-W349 HydrophobicContact CD2-CB 3.54Å; W156-W349 HydrophobicContact CD2-CD2 4.26Å; W156-W349 AromaticContact CD2-CG 3.76Å; W156-W349 HydrophobicContact CD2-CG 3.76Å; W156-W349 AromaticContact CE2-CG 3.98Å; W156-W349 HydrophobicContact CE3-CB 3.24Å; W156-W349 HydrophobicContact CE3-CG 4Å; W156-W349 HydrophobicContact CG-CB 4.18Å; W156-W349 HydrophobicContact CG-CD2 4.09Å; W156-W349 HydrophobicContact CG-CE3 4.19Å; W156-W349 HydrophobicContact CG-CG 4.11Å; W156-W349 HydrophobicContact CH2-CB 4.06Å; W156-W349 HydrophobicContact CZ2-CB 4.34Å; W156-W349 HydrophobicContact CZ2-CG 4.38Å; W156-W349 HydrophobicContact CZ3-CB 3.54Å; W156-W349 HydrophobicContact CZ3-CG 4.4Å; M160-W349 HydrophobicContact CE-CB 4.15Å; F165-W349 HydrophobicContact CD1-CE3 4.44Å; F165-W349 HydrophobicContact CD1-CZ3 4.27Å; F165-W349 AromaticContact CE1-CE3 3.75Å; F165-W349 HydrophobicContact CE1-CE3 3.75Å; F165-W349 AromaticContact CE1-CZ3 3.69Å; F165-W349 HydrophobicContact CE1-CZ3 3.69Å; F165-W349 HydrophobicContact CE2-CZ3 4.22Å; F165-W349 HydrophobicContact CZ-CE3 4.08Å; F165-W349 AromaticContact CZ-CZ3 3.66Å; F165-W349 HydrophobicContact CZ-CZ3 3.66Å; T169-W349 HydrophobicContact CG2-CE3 4.28Å; T169-W349 HydrophobicContact CG2-CH2 4.15Å; T169-W349 HydrophobicContact CG2-CZ3 3.55Å; L211-W349 HydrophobicContact CD2-CZ2 4.48Å; F347-W349 HydrophobicContact CB-CD2 3.69Å; F347-W349 VanDerWaalsContact CB-CE2 3.41Å; F347-W349 HydrophobicContact CB-CE3 3.96Å; F347-W349 HydrophobicContact CB-CG 4.36Å; F347-W349 HydrophobicContact CB-CH2 3.74Å; F347-W349 HydrophobicContact CB-CZ2 3.45Å; F347-W349 VanDerWaalsContact CB-CZ2 3.45Å; F347-W349 HydrophobicContact CB-CZ3 3.99Å; F347-W349 AromaticContact CD1-CH2 3.59Å; F347-W349 HydrophobicContact CD1-CH2 3.59Å; F347-W349 AromaticContact CD1-CZ2 3.8Å; F347-W349 HydrophobicContact CD1-CZ2 3.8Å; F347-W349 HydrophobicContact CD1-CZ3 4.26Å; F347-W349 HydrophobicContact CD2-CH2 4.2Å; F347-W349 AromaticContact CD2-CZ2 3.53Å; F347-W349 HydrophobicContact CD2-CZ2 3.53Å; F347-W349 HydrophobicContact CE1-CH2 4.14Å; F347-W349 HydrophobicContact CE1-CZ2 4.36Å; F347-W349 HydrophobicContact CE2-CZ2 4.14Å; F347-W349 HydrophobicContact CG-CD2 4.49Å; F347-W349 AromaticContact CG-CE2 3.8Å; F347-W349 AromaticContact CG-CH2 3.59Å; F347-W349 HydrophobicContact CG-CH2 3.59Å; F347-W349 AromaticContact CG-CZ2 3.31Å; F347-W349 HydrophobicContact CG-CZ2 3.31Å; F347-W349 HydrophobicContact CG-CZ3 4.29Å; F347-W349 PolarHBondContact O-N 3.25Å
350Q86.2Confident87.6Confident49 Ų4965.8 Ų65.823%0.22933%0.333CS..G310 helixtrans-100-3.8174.5-62.9172.8-44.500112.3P346 F347 D348P346-Q350 HydrophobicContact CB-CB 4.1Å; F347-Q350 HydrophobicContact CB-CG 4.42Å; F347-Q350 WeakPolarHBondContact O-CA 3.37Å; F347-Q350 WeakPolarHBondContact O-CB 3.44Å; F347-Q350 PolarHBondContact O-N 2.89Å; D348-Q350 PolarHBondContact O-N 3.1Å
351R86Confident86.9Confident70 Ų7060.9 Ų60.926%0.26431%0.312SS..SBendtrans-104.4127.6-178.7-58.3171.7-174.9-156.3-0.1110.6P346 F347 D348 E353 F354P346-R351 HydrophobicContact CB-CG 3.92Å; P346-R351 PolarHBondContact O-NE 3.39Å; P346-R351 PolarHBondContact O-NH2 2.71Å; F347-R351 PolarHBondContact O-N 3.4Å; D348-R351 PolarHBondContact O-N 3.29Å; D348-R351 VanDerWaalsContact O-N 3.13Å; R351-E353 HydrophobicContact CB-CG 4.05Å; R351-E353 IonicContact NH1-OE1 3.22Å; R351-E353 PolarHBondContact O-N 3.38Å; R351-E353 VanDerWaalsContact O-N 3.15Å; R351-F354 HydrophobicContact CB-CD2 3.93Å; R351-F354 HydrophobicContact CB-CE2 4.48Å; R351-F354 PolarHBondContact O-N 2.88Å; R351-F354 VanDerWaalsContact O-N 3.08Å
352D82.8Confident86.5Confident98 Ų9867.3 Ų67.352%0.52433%0.333SS..G310 helixtrans-59-31.6-175.8-66.7-13.7000113R4 F354 L355R4-D352 IonicContact CZ-OD1 2.94Å; R4-D352 IonicContact NE-OD1 3.68Å; R4-D352 IonicContact NH1-OD1 2.63Å; R4-D352 PolarHBondContact NH1-OD1 2.84Å; R4-D352 IonicContact NH2-OD1 3.5Å; R4-D352 PolarHBondContact NH2-OD1 3.27Å; D352-F354 VanDerWaalsContact C-N 3.26Å; D352-F354 PolarHBondContact O-N 2.98Å; D352-L355 PolarHBondContact O-N 3.15Å
353E86.3Confident86Confident123 Ų12362 Ų6258%0.57531%0.311SS*.G310 helixtrans-62.4-27.1178.369-171.4171.500114.1R351 T356R351-E353 HydrophobicContact CB-CG 4.05Å; R351-E353 IonicContact NH1-OE1 3.22Å; R351-E353 PolarHBondContact O-N 3.38Å; R351-E353 VanDerWaalsContact O-N 3.15Å; E353-T356 VanDerWaalsContact O-CG2 3.28Å; E353-T356 WeakPolarHBondContact O-CG2 3.3Å
354F82.6Confident85.5Confident42 Ų4259 Ų5918%0.18430%0.297CS..G310 helixtrans-95.5-13178.8-65.7-60.3000113.1M160 P161 T166 D348 R351 D352 T356M160-F354 HydrophobicContact SD-CB 4.03Å; M160-F354 HydrophobicContact SD-CG 4.49Å; P161-F354 HydrophobicContact CG-CD1 4.26Å; T166-F354 HydrophobicContact CG2-CE1 4.2Å; T166-F354 HydrophobicContact CG2-CE2 3.93Å; T166-F354 HydrophobicContact CG2-CZ 3.48Å; T166-F354 VanDerWaalsContact CG2-CZ 3.48Å; D348-F354 HydrophobicContact CB-CD2 3.82Å; D348-F354 HydrophobicContact CB-CE2 4.32Å; D348-F354 HydrophobicContact CB-CG 4.26Å; D348-F354 WeakPolarHBondContact O-CB 3.24Å; R351-F354 HydrophobicContact CB-CD2 3.93Å; R351-F354 HydrophobicContact CB-CE2 4.48Å; R351-F354 PolarHBondContact O-N 2.88Å; R351-F354 VanDerWaalsContact O-N 3.08Å; D352-F354 VanDerWaalsContact C-N 3.26Å; D352-F354 PolarHBondContact O-N 2.98Å; F354-T356 PolarHBondContact O-N 3.25Å
355L81.1Confident85.1Confident4 Ų455.1 Ų55.12%0.02128%0.276CS..  trans-85.451.6179.6-60.7175.7000111.3W156 D352 A360 K361 T364W156-L355 HydrophobicContact CZ3-CD2 4.49Å; D352-L355 PolarHBondContact O-N 3.15Å; L355-A360 HydrophobicContact CB-CB 4.49Å; L355-A360 HydrophobicContact CD2-CB 3.66Å; L355-K361 HydrophobicContact CB-CG 4.46Å; L355-K361 WeakPolarHBondContact O-CE 3.25Å; L355-T364 HydrophobicContact CD1-CG2 3.96Å; L355-T364 WeakPolarHBondContact CD1-OG1 3.45Å; L355-T364 VanDerWaalsContact CD2-OG1 3.31Å; L355-T364 WeakPolarHBondContact CD2-OG1 3.11Å
356T82.6Confident84.7Confident86 Ų8656.2 Ų56.253%0.52828%0.278SS..  trans-81.7-26.1-174.859.10000112.8E353 F354E353-T356 VanDerWaalsContact O-CG2 3.28Å; E353-T356 WeakPolarHBondContact O-CG2 3.3Å; F354-T356 PolarHBondContact O-N 3.25Å
357T82.7Confident84.1Confident53 Ų5354 Ų5433%0.32526%0.263SS..SBendtrans-92.4147.7179.668.60000111.4A359 A360 K361T357-A359 PolarHBondContact O-N 3.4Å; T357-A360 PolarHBondContact O-N 2.88Å; T357-A360 VanDerWaalsContact O-N 3.15Å; T357-A360 VanDerWaalsContact OG1-CB 3.32Å; T357-A360 WeakPolarHBondContact OG1-CB 3.24Å; T357-A360 PolarHBondContact OG1-N 3.16Å; T357-A360 VanDerWaalsContact OG1-N 3.16Å; T357-K361 WeakPolarHBondContact O-CG 3.47Å; T357-K361 PolarHBondContact O-N 3.5Å; T357-K361 VanDerWaalsContact O-N 3.09Å
358E85.8Confident83.3Confident104 Ų10453.9 Ų53.949%0.48626%0.263SS..Hα-helixtrans-58.9-35.2174.1-178.457.3-159.700111.8K361 R362E358-K361 PolarHBondContact O-N 3.47Å; E358-R362 WeakPolarHBondContact O-CB 3.49Å; E358-R362 VanDerWaalsContact O-CG 3.28Å; E358-R362 WeakPolarHBondContact O-CG 3.36Å; E358-R362 PolarHBondContact O-N 3.26Å; E358-R362 IonicContact OE1-CZ 3.37Å; E358-R362 IonicContact OE1-NE 3.6Å; E358-R362 PolarHBondContact OE1-NE 2.95Å; E358-R362 IonicContact OE1-NH2 3.76Å
359A83.9Confident82.6Confident51 Ų5155.4 Ų55.442%0.42127%0.274SS..Hα-helixtrans-62-45.517500000112.1T357 K361 R362 M363T357-A359 PolarHBondContact O-N 3.4Å; A359-K361 VanDerWaalsContact C-N 3.35Å; A359-K361 PolarHBondContact O-N 3.16Å; A359-R362 PolarHBondContact O-N 3.21Å; A359-M363 WeakPolarHBondContact O-CG 3.39Å; A359-M363 PolarHBondContact O-N 3.24Å
360A80.5Confident81.7Confident0 Ų057.7 Ų57.70%028%0.283CS..Hα-helixtrans-62.7-42177.500000111.8C159 L355 T357 M363 T364C159-A360 HydrophobicContact CB-CB 3.94Å; L355-A360 HydrophobicContact CB-CB 4.49Å; L355-A360 HydrophobicContact CD2-CB 3.66Å; T357-A360 PolarHBondContact O-N 2.88Å; T357-A360 VanDerWaalsContact O-N 3.15Å; T357-A360 VanDerWaalsContact OG1-CB 3.32Å; T357-A360 WeakPolarHBondContact OG1-CB 3.24Å; T357-A360 PolarHBondContact OG1-N 3.16Å; T357-A360 VanDerWaalsContact OG1-N 3.16Å; A360-M363 PolarHBondContact O-N 3.15Å; A360-T364 WeakPolarHBondContact O-CB 3.46Å; A360-T364 PolarHBondContact O-N 2.88Å; A360-T364 PolarHBondContact O-OG1 3.47Å
361K84.1Confident80.4Confident87 Ų8758.2 Ų58.238%0.37829%0.285SS..Hα-helixtrans-62.7-46.8176.4-67.7176.4-174.6176.60111.6L355 T357 E358 A359 M363 T364 N365L355-K361 HydrophobicContact CB-CG 4.46Å; L355-K361 WeakPolarHBondContact O-CE 3.25Å; T357-K361 WeakPolarHBondContact O-CG 3.47Å; T357-K361 PolarHBondContact O-N 3.5Å; T357-K361 VanDerWaalsContact O-N 3.09Å; E358-K361 PolarHBondContact O-N 3.47Å; A359-K361 VanDerWaalsContact C-N 3.35Å; A359-K361 PolarHBondContact O-N 3.16Å; K361-M363 PolarHBondContact O-N 3.41Å; K361-T364 PolarHBondContact O-N 3.47Å; K361-N365 WeakPolarHBondContact O-CB 3.45Å; K361-N365 VanDerWaalsContact O-CG 3.27Å; K361-N365 PolarHBondContact O-N 3.39Å
362R86Confident78.4Confident161 Ų16158.7 Ų58.761%0.60830%0.299SS*.Hα-helixtrans-59.6-44.8176.8-74.1175.9-172.1-170.41.9112.5E358 A359 T364 N365 Y366E358-R362 WeakPolarHBondContact O-CB 3.49Å; E358-R362 VanDerWaalsContact O-CG 3.28Å; E358-R362 WeakPolarHBondContact O-CG 3.36Å; E358-R362 PolarHBondContact O-N 3.26Å; E358-R362 IonicContact OE1-CZ 3.37Å; E358-R362 IonicContact OE1-NE 3.6Å; E358-R362 PolarHBondContact OE1-NE 2.95Å; E358-R362 IonicContact OE1-NH2 3.76Å; A359-R362 PolarHBondContact O-N 3.21Å; R362-T364 VanDerWaalsContact C-N 3.33Å; R362-T364 PolarHBondContact O-N 3.44Å; R362-N365 PolarHBondContact O-N 2.93Å; R362-Y366 WeakPolarHBondContact O-CB 3.48Å; R362-Y366 PolarHBondContact O-N 3.44Å
363M83.6Confident78.2Confident28 Ų2856.7 Ų56.714%0.13829%0.287CS..Hα-helixtrans-63.3-40176.5-74.6168.860.600112.3P151 Q155 W156 A359 A360 K361 Y366 C367P151-M363 HydrophobicContact CB-CE 3.35Å; P151-M363 HydrophobicContact CG-CB 4.14Å; P151-M363 HydrophobicContact CG-CE 3.76Å; P151-M363 HydrophobicContact CG-CG 4.19Å; Q155-M363 HydrophobicContact CB-CE 3.56Å; Q155-M363 HydrophobicContact CB-SD 4.32Å; W156-M363 HydrophobicContact CD2-CE 3.5Å; W156-M363 VanDerWaalsContact CD2-CE 3.5Å; W156-M363 HydrophobicContact CE3-CE 3.48Å; W156-M363 VanDerWaalsContact CE3-CE 3.48Å; W156-M363 HydrophobicContact CG-CE 4.03Å; W156-M363 HydrophobicContact CH2-CB 3.59Å; W156-M363 HydrophobicContact CH2-CE 4.2Å; W156-M363 HydrophobicContact CZ2-CB 4.22Å; W156-M363 HydrophobicContact CZ2-CE 4.18Å; W156-M363 HydrophobicContact CZ3-CB 3.73Å; W156-M363 HydrophobicContact CZ3-CE 3.85Å; A359-M363 WeakPolarHBondContact O-CG 3.39Å; A359-M363 PolarHBondContact O-N 3.24Å; A360-M363 PolarHBondContact O-N 3.15Å; K361-M363 PolarHBondContact O-N 3.41Å; M363-Y366 WeakPolarHBondContact O-CB 3.49Å; M363-Y366 PolarHBondContact O-N 3.33Å; M363-C367 PolarHBondContact O-N 3.34Å; M363-C367 VanDerWaalsContact O-N 3.08Å; M363-C367 PolarHBondContact O-SG 3.04Å; M363-C367 VanDerWaalsContact O-SG 3.41Å
364T80.3Confident77.8Confident14 Ų1453.2 Ų53.29%0.08627%0.272CS..Hα-helixtrans-64.2-44.7175.9-52.30000110.3L355 A360 K361 R362 Y366 C367 I368L355-T364 HydrophobicContact CD1-CG2 3.96Å; L355-T364 WeakPolarHBondContact CD1-OG1 3.45Å; L355-T364 VanDerWaalsContact CD2-OG1 3.31Å; L355-T364 WeakPolarHBondContact CD2-OG1 3.11Å; A360-T364 WeakPolarHBondContact O-CB 3.46Å; A360-T364 PolarHBondContact O-N 2.88Å; A360-T364 PolarHBondContact O-OG1 3.47Å; K361-T364 PolarHBondContact O-N 3.47Å; R362-T364 VanDerWaalsContact C-N 3.33Å; R362-T364 PolarHBondContact O-N 3.44Å; T364-Y366 VanDerWaalsContact C-N 3.35Å; T364-Y366 PolarHBondContact O-N 3.28Å; T364-C367 PolarHBondContact O-N 2.92Å; T364-I368 HydrophobicContact CG2-CD1 3.88Å; T364-I368 VanDerWaalsContact O-CG1 3.25Å; T364-I368 WeakPolarHBondContact O-CG1 3.34Å; T364-I368 PolarHBondContact O-N 3.14Å
365N81.1Confident77.5Confident53 Ų5353.8 Ų53.828%0.28328%0.277SS..Hα-helixtrans-64.3-38.2177.4-71.3-6.3000112.1K361 R362 I368 S369K361-N365 WeakPolarHBondContact O-CB 3.45Å; K361-N365 VanDerWaalsContact O-CG 3.27Å; K361-N365 PolarHBondContact O-N 3.39Å; R362-N365 PolarHBondContact O-N 2.93Å; N365-I368 CarbonylContact O-C 3.58Å; N365-I368 PolarHBondContact O-N 3.4Å; N365-I368 VanDerWaalsContact O-N 3.17Å; N365-S369 PolarHBondContact O-N 3.39Å
366Y81.6Confident77.3Confident69 Ų6956.8 Ų56.827%0.27129%0.292SS..Hα-helixtrans-57.2-50172.1175.5-94.2000110.6E60 L203 R362 M363 T364 I368 S369 Y370E60-Y366 PolarHBondContact OE2-OH 2.94Å; L203-Y366 HydrophobicContact CD2-CE1 4.31Å; R362-Y366 WeakPolarHBondContact O-CB 3.48Å; R362-Y366 PolarHBondContact O-N 3.44Å; M363-Y366 WeakPolarHBondContact O-CB 3.49Å; M363-Y366 PolarHBondContact O-N 3.33Å; T364-Y366 VanDerWaalsContact C-N 3.35Å; T364-Y366 PolarHBondContact O-N 3.28Å; Y366-I368 VanDerWaalsContact C-N 3.26Å; Y366-I368 PolarHBondContact O-N 2.9Å; Y366-S369 PolarHBondContact O-N 2.68Å; Y366-S369 PolarHBondContact O-OG 3.43Å; Y366-Y370 HydrophobicContact CD1-CE2 4.11Å; Y366-Y370 HydrophobicContact CD2-CE2 4.08Å; Y366-Y370 AromaticContact CE1-CE2 3.82Å; Y366-Y370 HydrophobicContact CE1-CE2 3.82Å; Y366-Y370 AromaticContact CE2-CE2 3.79Å; Y366-Y370 HydrophobicContact CE2-CE2 3.79Å; Y366-Y370 AromaticContact CE2-CZ 3.88Å; Y366-Y370 WeakPolarHBondContact CE2-OH 3.35Å; Y366-Y370 HydrophobicContact CG-CE2 4.24Å; Y366-Y370 AromaticContact CZ-CE2 3.65Å; Y366-Y370 AromaticContact CZ-CZ 3.76Å; Y366-Y370 WeakPolarHBondContact O-CD2 3.48Å; Y366-Y370 WeakPolarHBondContact O-CE2 3.45Å; Y366-Y370 PolarHBondContact OH-OH 3.35Å
367C78.1Confident77Confident11 Ų1154.9 Ų54.97%0.07428%0.277CS..Hα-helixtrans-60.5-38.8176.6-630000112P151 V204 M363 T364 F371P151-C367 WeakPolarHBondContact CD-SG 3.4Å; V204-C367 HydrophobicContact CG2-CB 3.75Å; V204-C367 VanDerWaalsContact CG2-O 3.31Å; V204-C367 WeakPolarHBondContact CG2-O 3.4Å; M363-C367 PolarHBondContact O-N 3.34Å; M363-C367 VanDerWaalsContact O-N 3.08Å; M363-C367 PolarHBondContact O-SG 3.04Å; M363-C367 VanDerWaalsContact O-SG 3.41Å; T364-C367 PolarHBondContact O-N 2.92Å; C367-F371 WeakPolarHBondContact O-CD2 3.49Å; C367-F371 VanDerWaalsContact O-CE2 3.26Å; C367-F371 WeakPolarHBondContact O-CE2 3.42Å
368I74.5Confident76.6Confident18 Ų1855.1 Ų55.19%0.09227%0.274CS..Hα-helixtrans-71.4-29.4-179.5-63.6164.5000112.3V8 V204 T364 N365 Y366 Y370 F371V8-I368 HydrophobicContact CB-CG2 3.81Å; V8-I368 HydrophobicContact CG1-CB 4.24Å; V8-I368 HydrophobicContact CG1-CG2 3.64Å; V8-I368 HydrophobicContact CG2-CD1 4.35Å; V8-I368 HydrophobicContact CG2-CG2 4.06Å; V204-I368 HydrophobicContact CG2-CG1 4.21Å; T364-I368 HydrophobicContact CG2-CD1 3.88Å; T364-I368 VanDerWaalsContact O-CG1 3.25Å; T364-I368 WeakPolarHBondContact O-CG1 3.34Å; T364-I368 PolarHBondContact O-N 3.14Å; N365-I368 CarbonylContact O-C 3.58Å; N365-I368 PolarHBondContact O-N 3.4Å; N365-I368 VanDerWaalsContact O-N 3.17Å; Y366-I368 VanDerWaalsContact C-N 3.26Å; Y366-I368 PolarHBondContact O-N 2.9Å; I368-Y370 PolarHBondContact O-N 3.43Å; I368-F371 WeakPolarHBondContact O-CB 3.47Å; I368-F371 WeakPolarHBondContact O-CD2 3.15Å; I368-F371 PolarHBondContact O-N 3.06Å
369S75.9Confident76Confident33 Ų3351.6 Ų51.623%0.23126%0.259CS..THydrogen-bonded Turntrans-65.8-12.1-176.954.20000114.6R12 N365 Y366 S372R12-S369 PolarHBondContact NH1-O 3.27Å; N365-S369 PolarHBondContact O-N 3.39Å; Y366-S369 PolarHBondContact O-N 2.68Å; Y366-S369 PolarHBondContact O-OG 3.43Å; S369-S372 PolarHBondContact O-OG 3.44Å
370Y71.2Confident75.3Confident57 Ų5751.6 Ų51.622%0.22425%0.247CC..THydrogen-bonded Turntrans-90.43.3174-59.1-92.6000113.3E60 R69 L148 L203 Y366 I368E60-Y370 WeakPolarHBondContact OE1-CE1 3.49Å; E60-Y370 PolarHBondContact OE1-OH 3.24Å; E60-Y370 PolarHBondContact OE2-OH 3.2Å; R69-Y370 HydrophobicContact CB-CD1 3.85Å; R69-Y370 HydrophobicContact CB-CE1 3.56Å; R69-Y370 HydrophobicContact CG-CD1 3.89Å; R69-Y370 HydrophobicContact CG-CE1 3.63Å; L148-Y370 HydrophobicContact CD2-CD1 4.48Å; L148-Y370 HydrophobicContact CD2-CE1 3.72Å; L203-Y370 HydrophobicContact CD1-CD1 3.92Å; L203-Y370 HydrophobicContact CD1-CD2 3.9Å; L203-Y370 HydrophobicContact CD1-CE1 4.36Å; L203-Y370 HydrophobicContact CD1-CE2 4.38Å; L203-Y370 HydrophobicContact CD1-CG 3.69Å; L203-Y370 HydrophobicContact CD2-CD2 3.83Å; L203-Y370 HydrophobicContact CD2-CE2 4.18Å; L203-Y370 HydrophobicContact CD2-CG 4.42Å; L203-Y370 HydrophobicContact CG-CD2 4.39Å; Y366-Y370 HydrophobicContact CD1-CE2 4.11Å; Y366-Y370 HydrophobicContact CD2-CE2 4.08Å; Y366-Y370 AromaticContact CE1-CE2 3.82Å; Y366-Y370 HydrophobicContact CE1-CE2 3.82Å; Y366-Y370 AromaticContact CE2-CE2 3.79Å; Y366-Y370 HydrophobicContact CE2-CE2 3.79Å; Y366-Y370 AromaticContact CE2-CZ 3.88Å; Y366-Y370 WeakPolarHBondContact CE2-OH 3.35Å; Y366-Y370 HydrophobicContact CG-CE2 4.24Å; Y366-Y370 AromaticContact CZ-CE2 3.65Å; Y366-Y370 AromaticContact CZ-CZ 3.76Å; Y366-Y370 WeakPolarHBondContact O-CD2 3.48Å; Y366-Y370 WeakPolarHBondContact O-CE2 3.45Å; Y366-Y370 PolarHBondContact OH-OH 3.35Å; I368-Y370 PolarHBondContact O-N 3.43Å
371F58.7Low74.9Confident61 Ų6155.9 Ų55.927%0.26827%0.267SS..  trans-93.5-17.7176.4-76.1-78.6000114.1V204 S205 C367 I368V204-F371 HydrophobicContact CB-CD2 3.74Å; V204-F371 HydrophobicContact CB-CE1 4.25Å; V204-F371 HydrophobicContact CB-CE2 3.42Å; V204-F371 VanDerWaalsContact CB-CE2 3.42Å; V204-F371 HydrophobicContact CB-CG 4.41Å; V204-F371 HydrophobicContact CB-CZ 3.81Å; V204-F371 HydrophobicContact CG1-CD1 3.64Å; V204-F371 HydrophobicContact CG1-CD2 3.39Å; V204-F371 HydrophobicContact CG1-CE1 3.73Å; V204-F371 HydrophobicContact CG1-CE2 3.52Å; V204-F371 HydrophobicContact CG1-CG 3.6Å; V204-F371 HydrophobicContact CG1-CZ 3.78Å; V204-F371 HydrophobicContact CG2-CD2 3.57Å; V204-F371 HydrophobicContact CG2-CE2 3.43Å; V204-F371 VanDerWaalsContact CG2-CE2 3.43Å; V204-F371 HydrophobicContact CG2-CZ 4.31Å; S205-F371 VanDerWaalsContact CA-CZ 3.49Å; S205-F371 VanDerWaalsContact CB-CE1 3.4Å; C367-F371 WeakPolarHBondContact O-CD2 3.49Å; C367-F371 VanDerWaalsContact O-CE2 3.26Å; C367-F371 WeakPolarHBondContact O-CE2 3.42Å; I368-F371 WeakPolarHBondContact O-CB 3.47Å; I368-F371 WeakPolarHBondContact O-CD2 3.15Å; I368-F371 PolarHBondContact O-N 3.06Å
372S44.1Very low74.1Confident79 Ų7953.1 Ų53.155%0.55226%0.257SS*.  trans-104.60-177.557.60000109.7R12 S369R12-S372 WeakPolarHBondContact CD-OG 3.44Å; R12-S372 PolarHBondContact NH1-OG 3.45Å; R12-S372 PolarHBondContact NH1-OXT 2.73Å; S369-S372 PolarHBondContact O-OG 3.44Å

Retrieved 372 of 372 residues in 344.6 ms (Link to these results)

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