A0AA82N855_SCHMA Loading...

Peptidase_M22 domain-containing protein

AlphaFold DB (G4V968), UniProt , Accession A0AA82N855, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 725 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
1M54.2Low86.4Confident120 Ų12049.7 Ų49.759%0.59125%0.245SC*.  0115.90-81.1-112.2-77.500105.3R94 D170M1-R94 HydrophobicContact CE-CG 3.9Å; M1-D170 PolarHBondContact N-OD1 3.43Å; M1-D170 PolarHBondContact N-OD2 3.12Å
2G79.8Confident86.8Confident10 Ų1052.8 Ų52.810%0.10328%0.275CS..  trans-134-133.9177.400000108.3R4 D170 D172G2-R4 PolarHBondContact O-N 3.48Å; G2-R4 VanDerWaalsContact O-N 3.08Å; G2-D170 WeakPolarHBondContact CA-OD1 3.5Å; G2-D170 PolarHBondContact N-OD1 3.32Å; G2-D172 VanDerWaalsContact CA-CG 3.42Å; G2-D172 VanDerWaalsContact CA-OD1 3.3Å; G2-D172 WeakPolarHBondContact CA-OD1 3.47Å; G2-D172 WeakPolarHBondContact CA-OD2 3.39Å
3I86.9Confident87.2Confident1 Ų152.8 Ų52.81%0.00528%0.276CS..SBendtrans-56.3113.6179.7-57.3151.7000113.3G5 L6 S171 D172 I175 A240 V243 N245I3-G5 PolarHBondContact O-N 3.06Å; I3-L6 HydrophobicContact CB-CB 3.86Å; I3-L6 HydrophobicContact CB-CD2 3.95Å; I3-L6 HydrophobicContact CD1-CD2 3.53Å; I3-L6 HydrophobicContact CG1-CD2 4.38Å; I3-L6 HydrophobicContact CG2-CB 3.75Å; I3-L6 HydrophobicContact CG2-CD2 4.25Å; I3-L6 WeakPolarHBondContact O-CB 3.46Å; I3-L6 PolarHBondContact O-N 3.25Å; I3-S171 PolarHBondContact N-OG 3.07Å; I3-S171 VanDerWaalsContact N-OG 3.08Å; I3-S171 PolarHBondContact O-OG 3.18Å; I3-S171 VanDerWaalsContact O-OG 3.14Å; I3-D172 PolarHBondContact N-OD1 2.9Å; I3-I175 HydrophobicContact CD1-CD1 3.61Å; I3-I175 HydrophobicContact CD1-CG1 3.42Å; I3-I175 VanDerWaalsContact CD1-CG1 3.42Å; I3-A240 HydrophobicContact CD1-CB 3.42Å; I3-A240 VanDerWaalsContact CD1-CB 3.42Å; I3-A240 HydrophobicContact CG1-CB 4.24Å; I3-V243 HydrophobicContact CG2-CB 3.87Å; I3-V243 HydrophobicContact CG2-CG1 3.29Å; I3-N245 HydrophobicContact CG1-CB 4.09Å
4R83.2Confident87.6Confident150 Ų15055.6 Ų55.657%0.56630%0.302SS*.THydrogen-bonded Turntrans-60.5125.4-175.9-174.3178.5-177.6-174.50.2111.6G2 L6 Y272G2-R4 PolarHBondContact O-N 3.48Å; G2-R4 VanDerWaalsContact O-N 3.08Å; R4-L6 PolarHBondContact O-N 2.82Å; R4-Y272 PolarHBondContact NH1-OH 2.58Å; R4-Y272 VanDerWaalsContact NH1-OH 3.16Å
5G88.6Confident88.2Confident22 Ų2260.1 Ų60.123%0.22732%0.32CS..THydrogen-bonded Turntrans81.2-10.1176.300000114.7I3 W7 T8 Y9 Q273 I276I3-G5 PolarHBondContact O-N 3.06Å; G5-W7 VanDerWaalsContact C-N 3.3Å; G5-W7 PolarHBondContact O-N 3.11Å; G5-T8 PolarHBondContact O-N 3.21Å; G5-Y9 PolarHBondContact O-N 3.2Å; G5-Q273 PolarHBondContact O-NE2 3.43Å; G5-I276 VanDerWaalsContact C-CD1 3.44Å
6L93.4Very high88.7Confident0 Ų056.8 Ų56.80%030%0.302CS..Hα-helixtrans-61.3-40.6178.9179.663000111.9I3 R4 T8 Y9 I10 F174 I175 F228 F239 I276I3-L6 HydrophobicContact CB-CB 3.86Å; I3-L6 HydrophobicContact CB-CD2 3.95Å; I3-L6 HydrophobicContact CD1-CD2 3.53Å; I3-L6 HydrophobicContact CG1-CD2 4.38Å; I3-L6 HydrophobicContact CG2-CB 3.75Å; I3-L6 HydrophobicContact CG2-CD2 4.25Å; I3-L6 WeakPolarHBondContact O-CB 3.46Å; I3-L6 PolarHBondContact O-N 3.25Å; R4-L6 PolarHBondContact O-N 2.82Å; L6-T8 PolarHBondContact O-N 3.04Å; L6-Y9 HydrophobicContact CD1-CD1 4.21Å; L6-Y9 WeakPolarHBondContact O-CB 3.49Å; L6-Y9 PolarHBondContact O-N 2.93Å; L6-Y9 VanDerWaalsContact O-N 3.14Å; L6-I10 HydrophobicContact CD1-CD1 3.75Å; L6-I10 HydrophobicContact CD1-CG1 3.92Å; L6-I10 HydrophobicContact CD2-CD1 4.28Å; L6-I10 HydrophobicContact CG-CD1 3.75Å; L6-I10 HydrophobicContact CG-CG1 4.28Å; L6-I10 WeakPolarHBondContact O-CG1 3.5Å; L6-I10 PolarHBondContact O-N 3.18Å; L6-F174 HydrophobicContact CD2-CB 4.29Å; L6-I175 HydrophobicContact CD2-CD1 3.66Å; L6-I175 HydrophobicContact CD2-CG1 4.27Å; L6-F228 HydrophobicContact CD1-CE2 4.12Å; L6-F228 HydrophobicContact CD1-CZ 4.33Å; L6-F239 HydrophobicContact CD1-CE1 3.87Å; L6-F239 HydrophobicContact CD1-CZ 3.93Å; L6-I276 HydrophobicContact CD1-CG2 4.37Å
7W92.8Very high89.2Confident47 Ų4754.6 Ų54.618%0.17829%0.29CS..Hα-helixtrans-54.8-53.4177-172-80.2000112.2G5 Y9 I10 Q11 G169 F174 F187 P189G5-W7 VanDerWaalsContact C-N 3.3Å; G5-W7 PolarHBondContact O-N 3.11Å; W7-Y9 VanDerWaalsContact C-N 3.28Å; W7-Y9 PolarHBondContact O-N 3.46Å; W7-I10 PolarHBondContact O-N 3.03Å; W7-Q11 VanDerWaalsContact NE1-OE1 3.17Å; W7-Q11 WeakPolarHBondContact O-CB 3.25Å; W7-Q11 WeakPolarHBondContact O-CG 3.29Å; W7-Q11 PolarHBondContact O-N 3.01Å; W7-G169 VanDerWaalsContact CZ3-C 3.45Å; W7-G169 WeakPolarHBondContact CZ3-O 3.29Å; W7-F174 AromaticContact CD2-CE2 3.93Å; W7-F174 HydrophobicContact CD2-CE2 3.93Å; W7-F174 HydrophobicContact CD2-CZ 4.29Å; W7-F174 HydrophobicContact CE3-CD2 4.39Å; W7-F174 AromaticContact CE3-CE2 3.35Å; W7-F174 HydrophobicContact CE3-CE2 3.35Å; W7-F174 AromaticContact CE3-CZ 3.86Å; W7-F174 HydrophobicContact CE3-CZ 3.86Å; W7-F174 HydrophobicContact CG-CE2 4.46Å; W7-F174 HydrophobicContact CH2-CZ 4.45Å; W7-F174 AromaticContact CZ3-CE2 3.76Å; W7-F174 HydrophobicContact CZ3-CE2 3.76Å; W7-F174 AromaticContact CZ3-CZ 3.93Å; W7-F174 HydrophobicContact CZ3-CZ 3.93Å; W7-F187 HydrophobicContact CZ3-CE1 4.41Å; W7-F187 HydrophobicContact CZ3-CZ 4.18Å; W7-P189 HydrophobicContact CH2-CB 3.55Å; W7-P189 HydrophobicContact CH2-CG 4.42Å; W7-P189 HydrophobicContact CZ2-CB 3.8Å
8T92.2Very high89.6Confident85 Ų8553.7 Ų53.752%0.52129%0.288SS..Hα-helixtrans-60.6-38.7177-52.80000111.6G5 L6 Q11 S12G5-T8 PolarHBondContact O-N 3.21Å; L6-T8 PolarHBondContact O-N 3.04Å; T8-Q11 PolarHBondContact O-N 3.05Å; T8-S12 PolarHBondContact O-N 3.45Å
9Y93.2Very high89.9Confident21 Ų2157.4 Ų57.48%0.08232%0.316CS..Hα-helixtrans-63.3-49.4179176.2-104.5000112G5 L6 W7 Q11 S12 Q273 I276 H277G5-Y9 PolarHBondContact O-N 3.2Å; L6-Y9 HydrophobicContact CD1-CD1 4.21Å; L6-Y9 WeakPolarHBondContact O-CB 3.49Å; L6-Y9 PolarHBondContact O-N 2.93Å; L6-Y9 VanDerWaalsContact O-N 3.14Å; W7-Y9 VanDerWaalsContact C-N 3.28Å; W7-Y9 PolarHBondContact O-N 3.46Å; Y9-Q11 VanDerWaalsContact C-N 3.33Å; Y9-Q11 PolarHBondContact O-N 3.38Å; Y9-S12 WeakPolarHBondContact O-CB 3.46Å; Y9-S12 PolarHBondContact O-N 3.04Å; Y9-S12 PolarHBondContact O-OG 3.18Å; Y9-Q273 VanDerWaalsContact CB-OE1 3.23Å; Y9-Q273 VanDerWaalsContact N-OE1 3.08Å; Y9-I276 HydrophobicContact CD1-CG2 3.46Å; Y9-I276 VanDerWaalsContact CD1-CG2 3.46Å; Y9-I276 HydrophobicContact CD2-CB 4.4Å; Y9-I276 HydrophobicContact CD2-CG2 3.98Å; Y9-I276 HydrophobicContact CE1-CG2 3.78Å; Y9-I276 HydrophobicContact CE2-CG2 4.28Å; Y9-I276 HydrophobicContact CG-CB 4.31Å; Y9-I276 HydrophobicContact CG-CG2 3.55Å; Y9-H277 HydrophobicContact CE2-CB 3.72Å; Y9-H277 AromaticContact CE2-ND1 3.6Å; Y9-H277 AromaticContact CZ-ND1 3.67Å; Y9-H277 PolarHBondContact OH-ND1 3Å
10I93.9Very high90.2Very high0 Ų057.5 Ų57.50%031%0.312CS..Hα-helixtrans-65.7-40.2179.9-64.6174000110.3L6 W7 S12 N13 N16 F17 F174 L222 F228L6-I10 HydrophobicContact CD1-CD1 3.75Å; L6-I10 HydrophobicContact CD1-CG1 3.92Å; L6-I10 HydrophobicContact CD2-CD1 4.28Å; L6-I10 HydrophobicContact CG-CD1 3.75Å; L6-I10 HydrophobicContact CG-CG1 4.28Å; L6-I10 WeakPolarHBondContact O-CG1 3.5Å; L6-I10 PolarHBondContact O-N 3.18Å; W7-I10 PolarHBondContact O-N 3.03Å; I10-S12 VanDerWaalsContact C-N 3.28Å; I10-S12 PolarHBondContact O-N 2.9Å; I10-N13 PolarHBondContact O-N 3.1Å; I10-N13 VanDerWaalsContact O-O 3.13Å; I10-N16 HydrophobicContact CG2-CB 3.74Å; I10-N16 PolarHBondContact O-ND2 3.18Å; I10-F17 HydrophobicContact CG2-CE1 4.46Å; I10-F17 HydrophobicContact CG2-CE2 3.71Å; I10-F17 HydrophobicContact CG2-CZ 3.54Å; I10-F174 HydrophobicContact CB-CZ 4.5Å; I10-F174 HydrophobicContact CD1-CB 3.47Å; I10-F174 VanDerWaalsContact CD1-CB 3.47Å; I10-F174 HydrophobicContact CD1-CD1 3.6Å; I10-F174 HydrophobicContact CD1-CD2 3.48Å; I10-F174 VanDerWaalsContact CD1-CD2 3.48Å; I10-F174 HydrophobicContact CD1-CE1 4.13Å; I10-F174 HydrophobicContact CD1-CE2 4.02Å; I10-F174 HydrophobicContact CD1-CG 3.24Å; I10-F174 HydrophobicContact CD1-CZ 4.33Å; I10-F174 HydrophobicContact CG2-CD1 4.28Å; I10-F174 HydrophobicContact CG2-CE1 3.98Å; I10-F174 HydrophobicContact CG2-CZ 4.32Å; I10-L222 HydrophobicContact CG2-CD1 4.42Å; I10-F228 HydrophobicContact CD1-CD1 4.05Å; I10-F228 HydrophobicContact CD1-CD2 4.28Å; I10-F228 HydrophobicContact CD1-CE1 3.87Å; I10-F228 HydrophobicContact CD1-CE2 4.12Å; I10-F228 HydrophobicContact CD1-CG 4.24Å; I10-F228 HydrophobicContact CD1-CZ 3.9Å; I10-F228 HydrophobicContact CG1-CD2 4.17Å; I10-F228 HydrophobicContact CG1-CE2 4.34Å; I10-F228 HydrophobicContact CG1-CG 4.27Å
11Q91.9Very high90.4Very high91 Ų9158.8 Ų58.843%0.42532%0.316SS..Hα-helixtrans-66.6-24.5176.7-73.3-168.1-26.800114.6W7 T8 Y9 N13 F17W7-Q11 VanDerWaalsContact NE1-OE1 3.17Å; W7-Q11 WeakPolarHBondContact O-CB 3.25Å; W7-Q11 WeakPolarHBondContact O-CG 3.29Å; W7-Q11 PolarHBondContact O-N 3.01Å; T8-Q11 PolarHBondContact O-N 3.05Å; Y9-Q11 VanDerWaalsContact C-N 3.33Å; Y9-Q11 PolarHBondContact O-N 3.38Å; Q11-N13 PolarHBondContact O-N 3.35Å; Q11-F17 HydrophobicContact CG-CE2 4.03Å; Q11-F17 HydrophobicContact CG-CZ 4.29Å
12S91.3Very high92.5Very high86 Ų8653.1 Ų53.160%0.60129%0.287SS*.Hα-helixtrans-63.5-23.1178.875.30000113.3T8 Y9 I10T8-S12 PolarHBondContact O-N 3.45Å; Y9-S12 WeakPolarHBondContact O-CB 3.46Å; Y9-S12 PolarHBondContact O-N 3.04Å; Y9-S12 PolarHBondContact O-OG 3.18Å; I10-S12 VanDerWaalsContact C-N 3.28Å; I10-S12 PolarHBondContact O-N 2.9Å
13N91.9Very high93.2Very high54 Ų5453.2 Ų53.229%0.28929%0.285SS..SBendtrans-115.1110.5173.7-173-25.4000110.4I10 Q11 E15 N16I10-N13 PolarHBondContact O-N 3.1Å; I10-N13 VanDerWaalsContact O-O 3.13Å; Q11-N13 PolarHBondContact O-N 3.35Å; N13-E15 PolarHBondContact O-N 3.47Å; N13-E15 VanDerWaalsContact OD1-CB 3.27Å; N13-E15 WeakPolarHBondContact OD1-CB 3.45Å; N13-E15 WeakPolarHBondContact OD1-CG 3.5Å; N13-E15 PolarHBondContact OD1-N 3.45Å; N13-N16 WeakPolarHBondContact O-CB 3.47Å; N13-N16 PolarHBondContact O-N 2.75Å; N13-N16 VanDerWaalsContact O-N 3.15Å; N13-N16 PolarHBondContact O-ND2 2.97Å
14S92.9Very high93.6Very high91 Ų9155.6 Ų55.664%0.63630%0.298SS*.G310 helixtrans-61.8-24.4-179.152.30000114N16 F17S14-N16 PolarHBondContact O-N 3.34Å; S14-F17 PolarHBondContact O-N 3.45Å
15E96.2Very high94.1Very high124 Ų12450 Ų5058%0.57928%0.278SS*.G310 helixtrans-68.1-16.3178.5-59.8-179.7166.400113N13 F17 N223 G226 P227N13-E15 PolarHBondContact O-N 3.47Å; N13-E15 VanDerWaalsContact OD1-CB 3.27Å; N13-E15 WeakPolarHBondContact OD1-CB 3.45Å; N13-E15 WeakPolarHBondContact OD1-CG 3.5Å; N13-E15 PolarHBondContact OD1-N 3.45Å; E15-F17 PolarHBondContact O-N 2.73Å; E15-N223 WeakPolarHBondContact O-CB 3.43Å; E15-N223 PolarHBondContact O-ND2 2.7Å; E15-G226 WeakPolarHBondContact O-CA 3.49Å; E15-P227 HydrophobicContact CB-CG 4.08Å
16N96.4Very high94.6Very high6 Ų649.6 Ų49.63%0.03227%0.272CS..G310 helixtrans-69.3-9.4170.7-69.4-37.3000112.7I10 N13 S14 N223 P227 F228I10-N16 HydrophobicContact CG2-CB 3.74Å; I10-N16 PolarHBondContact O-ND2 3.18Å; N13-N16 WeakPolarHBondContact O-CB 3.47Å; N13-N16 PolarHBondContact O-N 2.75Å; N13-N16 VanDerWaalsContact O-N 3.15Å; N13-N16 PolarHBondContact O-ND2 2.97Å; S14-N16 PolarHBondContact O-N 3.34Å; N16-N223 WeakPolarHBondContact O-CB 3.2Å; N16-N223 PolarHBondContact O-N 3.06Å; N16-P227 WeakPolarHBondContact OD1-CD 3.38Å; N16-F228 VanDerWaalsContact OD1-CB 3.3Å; N16-F228 WeakPolarHBondContact OD1-CB 3.39Å; N16-F228 PolarHBondContact OD1-N 3.2Å
17F96.9Very high94.8Very high21 Ų2149.6 Ų49.69%0.09227%0.272CS..EExtended strand (participates in β ladder)trans-128.4140.2-179.4-62.9-75.4000111.6I10 Q11 S14 E15 F174 P189 K220 V221 L222I10-F17 HydrophobicContact CG2-CE1 4.46Å; I10-F17 HydrophobicContact CG2-CE2 3.71Å; I10-F17 HydrophobicContact CG2-CZ 3.54Å; Q11-F17 HydrophobicContact CG-CE2 4.03Å; Q11-F17 HydrophobicContact CG-CZ 4.29Å; S14-F17 PolarHBondContact O-N 3.45Å; E15-F17 PolarHBondContact O-N 2.73Å; F17-F174 AromaticContact CE1-CE1 3.83Å; F17-F174 HydrophobicContact CE1-CE1 3.83Å; F17-F174 HydrophobicContact CE1-CZ 4.35Å; F17-F174 AromaticContact CZ-CE1 3.78Å; F17-F174 HydrophobicContact CZ-CE1 3.78Å; F17-F174 AromaticContact CZ-CZ 3.98Å; F17-F174 HydrophobicContact CZ-CZ 3.98Å; F17-P189 HydrophobicContact CD1-CG 4.08Å; F17-P189 HydrophobicContact CE1-CG 3.4Å; F17-P189 VanDerWaalsContact CE1-CG 3.4Å; F17-P189 HydrophobicContact CZ-CG 4.13Å; F17-K220 HydrophobicContact CB-CB 4.23Å; F17-K220 HydrophobicContact CB-CD 4.18Å; F17-K220 HydrophobicContact CD1-CB 4.37Å; F17-K220 HydrophobicContact CG-CD 4.49Å; F17-V221 CarbonylContact C-O 3.59Å; F17-V221 VanDerWaalsContact CA-O 3.3Å; F17-V221 WeakPolarHBondContact CA-O 3.37Å; F17-L222 HydrophobicContact CE1-CD1 4.47Å
18S96.6Very high95.1Very high37 Ų3747.4 Ų47.426%0.25926%0.263SS..EExtended strand (participates in β ladder)trans-109.2145.2170.8-62.90000109.7K220 V221 N223S18-K220 WeakPolarHBondContact O-CA 3.38Å; S18-V221 PolarHBondContact N-O 3.05Å; S18-V221 PolarHBondContact O-N 3.29Å; S18-N223 WeakPolarHBondContact OG-CB 3.46Å
19P95.8Very high95.4Very high125 Ų12543.3 Ų43.381%0.81224%0.239SC*.EExtended strand (participates in β ladder)trans-55.7140.7166.5-22.133.2000110.7
20Y95.8Very high95.6Very high59 Ų5942.7 Ų42.723%0.23124%0.237CC..EExtended strand (participates in β ladder)trans-137.5140.9179.5-168.9-96.8000110.8L22 Q25 P165 I188 C219 V221Y20-L22 HydrophobicContact CD1-CB 4.24Å; Y20-L22 HydrophobicContact CE1-CB 4.22Å; Y20-L22 HydrophobicContact CE1-CD1 4.18Å; Y20-Q25 PolarHBondContact OH-NE2 3.35Å; Y20-Q25 PolarHBondContact OH-OE1 3.18Å; Y20-P165 HydrophobicContact CE1-CG 4.21Å; Y20-P165 WeakPolarHBondContact OH-CG 3.2Å; Y20-I188 HydrophobicContact CD1-CD1 3.78Å; Y20-I188 HydrophobicContact CE1-CD1 3.8Å; Y20-C219 PolarHBondContact N-O 3.46Å; Y20-C219 PolarHBondContact O-N 3.36Å; Y20-V221 HydrophobicContact CD2-CB 4.05Å; Y20-V221 HydrophobicContact CD2-CG1 3.87Å; Y20-V221 HydrophobicContact CG-CB 4.1Å; Y20-V221 HydrophobicContact CG-CG1 4.24Å
21E95.4Very high95.9Very high85 Ų8542.7 Ų42.740%0.39724%0.237SC..EExtended strand (participates in β ladder)trans-107.899.3175.8-63-166.1170.100109.6H23 R200 F216E21-H23 PolarHBondContact O-N 2.87Å; E21-R200 IonicContact OE2-CZ 3.3Å; E21-R200 IonicContact OE2-NE 3.03Å; E21-R200 PolarHBondContact OE2-NE 3.02Å; E21-R200 IonicContact OE2-NH2 3.53Å; E21-R200 PolarHBondContact OE2-NH2 3.41Å; E21-F216 HydrophobicContact CB-CB 4.16Å; E21-F216 HydrophobicContact CB-CD2 3.63Å; E21-F216 HydrophobicContact CB-CE2 4.23Å; E21-F216 HydrophobicContact CB-CG 4.05Å; E21-F216 HydrophobicContact CG-CD2 3.52Å; E21-F216 HydrophobicContact CG-CE2 3.58Å; E21-F216 HydrophobicContact CG-CG 4.19Å; E21-F216 HydrophobicContact CG-CZ 4.3Å; E21-F216 WeakPolarHBondContact OE1-CZ 3.18Å
22L96.7Very high96Very high0 Ų042 Ų420%023%0.233CC..EExtended strand (participates in β ladder)trans-77.2112179.7-179.969.7000110Y20 Q25 L27 F66 V71 I188 I193 F216 I217Y20-L22 HydrophobicContact CD1-CB 4.24Å; Y20-L22 HydrophobicContact CE1-CB 4.22Å; Y20-L22 HydrophobicContact CE1-CD1 4.18Å; L22-Q25 HydrophobicContact CD1-CG 4.12Å; L22-L27 HydrophobicContact CD1-CD1 4.39Å; L22-L27 HydrophobicContact CD2-CD2 3.91Å; L22-F66 HydrophobicContact CD2-CE1 4.25Å; L22-V71 HydrophobicContact CD1-CG1 4.36Å; L22-V71 HydrophobicContact CD1-CG2 4.34Å; L22-V71 HydrophobicContact CD2-CG1 4.2Å; L22-V71 HydrophobicContact CD2-CG2 4.12Å; L22-V71 HydrophobicContact CG-CG1 4.28Å; L22-V71 HydrophobicContact CG-CG2 3.69Å; L22-I188 HydrophobicContact CD1-CD1 4.26Å; L22-I193 HydrophobicContact CD2-CD1 4.37Å; L22-F216 WeakPolarHBondContact O-CA 3.4Å; L22-I217 HydrophobicContact CB-CB 4.28Å; L22-I217 HydrophobicContact CD2-CD1 4.41Å; L22-I217 PolarHBondContact N-O 2.82Å; L22-I217 PolarHBondContact O-N 3.27Å
23H95.7Very high96.1Very high13 Ų1339.1 Ų39.16%0.0621%0.211CC..  trans-161.2139.8-173.4170.369.7000112.1E21 Q25 C69 C204 C214 Y215 F216E21-H23 PolarHBondContact O-N 2.87Å; H23-Q25 PolarHBondContact O-N 3.45Å; H23-Q25 PolarHBondContact O-OE1 3.42Å; H23-C69 WeakPolarHBondContact CA-O 3.26Å; H23-C69 PolarHBondContact ND1-O 2.67Å; H23-C69 VanDerWaalsContact ND1-O 3.15Å; H23-C204 PolarHBondContact NE2-SG 3.01Å; H23-C204 VanDerWaalsContact NE2-SG 3.4Å; H23-C214 VanDerWaalsContact CE1-SG 3.58Å; H23-Y215 PolarHBondContact ND1-O 2.86Å; H23-F216 HydrophobicContact CB-CB 3.87Å
24N94.1Very high96.4Very high50 Ų5036.5 Ų36.527%0.26720%0.197SC..SBendtrans50.352.6169.3-16661.1000114.9C69 H70N24-C69 PolarHBondContact N-O 2.67Å; N24-H70 WeakPolarHBondContact CA-O 3.33Å; N24-H70 HydrophobicContact CB-CB 4.25Å; N24-H70 PolarHBondContact N-O 2.81Å
25Q95.3Very high96.5Very high33 Ų3332.3 Ų32.315%0.15417%0.168CC..EExtended strand (participates in β ladder)trans-161159.3-176.659.9-172.261.800111.5Y20 L22 H23 H70 V71 D72Y20-Q25 PolarHBondContact OH-NE2 3.35Å; Y20-Q25 PolarHBondContact OH-OE1 3.18Å; L22-Q25 HydrophobicContact CD1-CG 4.12Å; H23-Q25 PolarHBondContact O-N 3.45Å; H23-Q25 PolarHBondContact O-OE1 3.42Å; Q25-H70 PolarHBondContact N-O 3.38Å; Q25-V71 WeakPolarHBondContact O-CA 3.22Å; Q25-D72 PolarHBondContact O-N 2.95Å
26P97.5Very high96.3Very high14 Ų1427.6 Ų27.69%0.09115%0.149CC..EExtended strand (participates in β ladder)trans-62155.5164.1-19.833.1000112.3D72 I74 C164P26-D72 CarbonylContact C-O 3.47Å; P26-D72 VanDerWaalsContact CA-O 3.31Å; P26-D72 WeakPolarHBondContact CA-O 3.49Å; P26-I74 HydrophobicContact CB-CD1 3.95Å; P26-C164 HydrophobicContact CB-CB 3.92Å; P26-C164 HydrophobicContact CG-CB 4.43Å; P26-C164 WeakPolarHBondContact O-CB 3.41Å
27L98.5Very high96.1Very high0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-140.111617117567.6000108.7L22 I29 F66 V71 D72 P73 I74 P165 T167 I188 I193L22-L27 HydrophobicContact CD1-CD1 4.39Å; L22-L27 HydrophobicContact CD2-CD2 3.91Å; L27-I29 HydrophobicContact CD2-CD1 4.12Å; L27-I29 HydrophobicContact CD2-CG1 4.09Å; L27-I29 HydrophobicContact CG-CD1 4.44Å; L27-I29 HydrophobicContact CG-CG1 3.95Å; L27-F66 HydrophobicContact CD2-CE1 4.07Å; L27-F66 HydrophobicContact CD2-CZ 4.1Å; L27-V71 HydrophobicContact CB-CG1 3.78Å; L27-V71 HydrophobicContact CD2-CG1 4.2Å; L27-D72 PolarHBondContact N-O 2.87Å; L27-P73 WeakPolarHBondContact O-CA 3.31Å; L27-I74 PolarHBondContact O-N 3.45Å; L27-P165 HydrophobicContact CD1-CB 4.13Å; L27-T167 HydrophobicContact CD1-CG2 3.95Å; L27-T167 HydrophobicContact CD2-CG2 3.96Å; L27-T167 HydrophobicContact CG-CG2 4.02Å; L27-I188 HydrophobicContact CD1-CD1 4.48Å; L27-I193 HydrophobicContact CD2-CD1 4.17Å
28V98.7Very high96Very high0 Ų027.7 Ų27.70%015%0.15CC..EExtended strand (participates in β ladder)trans-78.8132.2172.3-179.50000109.3I74 V76 A155 L158 A159 P165 V166 T167V28-I74 CarbonylContact C-O 3.51Å; V28-I74 WeakPolarHBondContact CA-O 3.42Å; V28-V76 HydrophobicContact CG1-CG2 3.72Å; V28-A155 HydrophobicContact CG1-CB 3.93Å; V28-A155 WeakPolarHBondContact CG1-O 3.43Å; V28-L158 HydrophobicContact CG1-CD2 4.33Å; V28-L158 HydrophobicContact CG2-CB 4.46Å; V28-L158 HydrophobicContact CG2-CD2 4.05Å; V28-L158 HydrophobicContact CG2-CG 3.99Å; V28-A159 HydrophobicContact CB-CB 4.08Å; V28-A159 HydrophobicContact CG2-CB 3.9Å; V28-P165 PolarHBondContact N-O 3.5Å; V28-V166 HydrophobicContact CB-CB 4.21Å; V28-V166 HydrophobicContact CB-CG2 4.04Å; V28-V166 HydrophobicContact CG1-CG2 3.96Å; V28-V166 CarbonylContact O-C 3.32Å; V28-V166 VanDerWaalsContact O-CA 3.27Å; V28-V166 WeakPolarHBondContact O-CA 3.2Å; V28-T167 PolarHBondContact O-N 2.7Å
29I98.7Very high95.8Very high0 Ų026 Ų260%014%0.138CC..EExtended strand (participates in β ladder)trans-124.7124-175-55.2-179.4000109.1L27 A31 F34 F66 P73 I74 F75 V76 T167L27-I29 HydrophobicContact CD2-CD1 4.12Å; L27-I29 HydrophobicContact CD2-CG1 4.09Å; L27-I29 HydrophobicContact CG-CD1 4.44Å; L27-I29 HydrophobicContact CG-CG1 3.95Å; I29-A31 PolarHBondContact O-N 3.33Å; I29-A31 VanDerWaalsContact O-N 3.08Å; I29-F34 HydrophobicContact CG2-CB 3.73Å; I29-F34 HydrophobicContact CG2-CD2 3.81Å; I29-F34 HydrophobicContact CG2-CG 3.95Å; I29-F66 HydrophobicContact CD1-CE2 3.98Å; I29-F66 HydrophobicContact CD1-CZ 4.29Å; I29-P73 HydrophobicContact CD1-CB 3.61Å; I29-I74 PolarHBondContact N-O 2.98Å; I29-F75 HydrophobicContact CB-CD1 4.04Å; I29-F75 HydrophobicContact CB-CE1 4.15Å; I29-F75 HydrophobicContact CB-CG 4.4Å; I29-F75 HydrophobicContact CD1-CD2 4.42Å; I29-F75 HydrophobicContact CD1-CE1 3.96Å; I29-F75 HydrophobicContact CD1-CE2 3.86Å; I29-F75 HydrophobicContact CD1-CZ 3.61Å; I29-F75 HydrophobicContact CG2-CD1 3.85Å; I29-F75 HydrophobicContact CG2-CE1 3.69Å; I29-F75 HydrophobicContact CG2-CZ 4.41Å; I29-V76 PolarHBondContact O-N 3.34Å; I29-T167 HydrophobicContact CB-CG2 4.16Å; I29-T167 HydrophobicContact CG1-CG2 3.7Å; I29-T167 HydrophobicContact CG2-CG2 4.15Å
30D98.1Very high95.6Very high8 Ų825 Ų254%0.04312%0.118CC..EExtended strand (participates in β ladder)trans-64.3105.2162.5168.9-0.2000109E32 N33 F34 T167 S168 F173D30-E32 PolarHBondContact OD1-N 3Å; D30-N33 HydrophobicContact CB-CB 4.29Å; D30-N33 VanDerWaalsContact CG-CB 3.46Å; D30-N33 PolarHBondContact OD1-N 3.45Å; D30-N33 VanDerWaalsContact OD1-N 3.16Å; D30-N33 WeakPolarHBondContact OD2-CB 3.35Å; D30-F34 VanDerWaalsContact O-CB 3.24Å; D30-F34 WeakPolarHBondContact O-CB 3.33Å; D30-F34 PolarHBondContact O-N 3.48Å; D30-T167 PolarHBondContact N-O 2.77Å; D30-T167 VanDerWaalsContact N-O 3.08Å; D30-S168 PolarHBondContact OD2-OG 3.42Å; D30-F173 HydrophobicContact CB-CE2 4.4Å; D30-F173 HydrophobicContact CB-CZ 4.07Å
31A98.3Very high95.3Very high0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-72.1-32.5-168.300000113.3I29 F34 A35 F75 V76 F77 L133I29-A31 PolarHBondContact O-N 3.33Å; I29-A31 VanDerWaalsContact O-N 3.08Å; A31-F34 PolarHBondContact O-N 3.37Å; A31-A35 WeakPolarHBondContact O-CB 3.44Å; A31-A35 PolarHBondContact O-N 2.89Å; A31-F75 HydrophobicContact CB-CB 4.02Å; A31-F75 HydrophobicContact CB-CD1 3.89Å; A31-F75 HydrophobicContact CB-CG 4.48Å; A31-V76 VanDerWaalsContact CB-O 3.25Å; A31-V76 WeakPolarHBondContact CB-O 3.45Å; A31-V76 PolarHBondContact N-O 3.45Å; A31-F77 HydrophobicContact CB-CD1 3.54Å; A31-F77 HydrophobicContact CB-CD2 3.64Å; A31-F77 HydrophobicContact CB-CE1 3.5Å; A31-F77 HydrophobicContact CB-CE2 3.59Å; A31-F77 HydrophobicContact CB-CG 3.62Å; A31-F77 HydrophobicContact CB-CZ 3.53Å; A31-L133 HydrophobicContact CB-CD2 4.47Å
32E94.3Very high95.1Very high76 Ų7622.7 Ų22.736%0.35511%0.112SC..Hα-helixtrans-72.1-44.5-179.3-73.6-72.7-159.300111D30 F34 A35 S36 R130D30-E32 PolarHBondContact OD1-N 3Å; E32-F34 VanDerWaalsContact C-N 3.33Å; E32-A35 PolarHBondContact O-N 3.36Å; E32-S36 PolarHBondContact O-N 3.42Å; E32-R130 VanDerWaalsContact OE1-CD 3.31Å; E32-R130 WeakPolarHBondContact OE1-CD 3.47Å; E32-R130 IonicContact OE1-CZ 3.8Å; E32-R130 IonicContact OE1-NE 2.85Å; E32-R130 IonicContact OE1-NH1 3.92Å; E32-R130 PolarHBondContact OE1-NH1 3.4Å
33N95.1Very high94.8Very high25 Ų2528.7 Ų28.713%0.13415%0.149CC..Hα-helixtrans-62.7-43.5173.3-171.3-80.5000111.3D30 A35 S36 L37 G169 D170D30-N33 HydrophobicContact CB-CB 4.29Å; D30-N33 VanDerWaalsContact CG-CB 3.46Å; D30-N33 PolarHBondContact OD1-N 3.45Å; D30-N33 VanDerWaalsContact OD1-N 3.16Å; D30-N33 WeakPolarHBondContact OD2-CB 3.35Å; N33-A35 PolarHBondContact O-N 3.04Å; N33-S36 PolarHBondContact O-N 3.34Å; N33-L37 VanDerWaalsContact O-CB 3.32Å; N33-L37 WeakPolarHBondContact O-CB 3.47Å; N33-L37 PolarHBondContact O-N 3.44Å; N33-G169 VanDerWaalsContact CG-N 3.25Å; N33-G169 VanDerWaalsContact ND2-C 3.32Å; N33-G169 WeakPolarHBondContact OD1-CA 3.49Å; N33-G169 PolarHBondContact OD1-N 3.39Å; N33-D170 PolarHBondContact ND2-N 3.49Å
34F97Very high94.7Very high0 Ų029.7 Ų29.70%016%0.155CC..Hα-helixtrans-57.8-48.8177.1-179.2-87.6000112.4I29 D30 A31 E32 S36 L37 C38 I59 F62 F75 L133 L190I29-F34 HydrophobicContact CG2-CB 3.73Å; I29-F34 HydrophobicContact CG2-CD2 3.81Å; I29-F34 HydrophobicContact CG2-CG 3.95Å; D30-F34 VanDerWaalsContact O-CB 3.24Å; D30-F34 WeakPolarHBondContact O-CB 3.33Å; D30-F34 PolarHBondContact O-N 3.48Å; A31-F34 PolarHBondContact O-N 3.37Å; E32-F34 VanDerWaalsContact C-N 3.33Å; F34-S36 PolarHBondContact O-N 2.96Å; F34-L37 PolarHBondContact O-N 2.88Å; F34-C38 WeakPolarHBondContact CZ-SG 3.44Å; F34-C38 VanDerWaalsContact O-CB 3.3Å; F34-C38 WeakPolarHBondContact O-CB 3.47Å; F34-C38 PolarHBondContact O-N 3.42Å; F34-C38 PolarHBondContact O-SG 2.89Å; F34-C38 VanDerWaalsContact O-SG 3.35Å; F34-I59 HydrophobicContact CD1-CD1 4.48Å; F34-I59 HydrophobicContact CE1-CD1 3.63Å; F34-I59 HydrophobicContact CE1-CG2 4.42Å; F34-I59 HydrophobicContact CZ-CD1 4.21Å; F34-F62 HydrophobicContact CE2-CD1 4.19Å; F34-F62 HydrophobicContact CE2-CG 4.39Å; F34-F62 HydrophobicContact CZ-CB 4.2Å; F34-F62 HydrophobicContact CZ-CD1 4.38Å; F34-F62 HydrophobicContact CZ-CG 4.12Å; F34-F75 HydrophobicContact CB-CE1 4.33Å; F34-F75 HydrophobicContact CD1-CD1 4.45Å; F34-F75 AromaticContact CD1-CE1 3.48Å; F34-F75 HydrophobicContact CD1-CE1 3.48Å; F34-F75 VanDerWaalsContact CD1-CE1 3.48Å; F34-F75 HydrophobicContact CD1-CZ 4.21Å; F34-F75 HydrophobicContact CD2-CE1 4.15Å; F34-F75 AromaticContact CE1-CE1 3.64Å; F34-F75 HydrophobicContact CE1-CE1 3.64Å; F34-F75 AromaticContact CE1-CZ 3.9Å; F34-F75 HydrophobicContact CE1-CZ 3.9Å; F34-F75 HydrophobicContact CE2-CE1 4.33Å; F34-F75 HydrophobicContact CE2-CZ 4.39Å; F34-F75 AromaticContact CG-CE1 3.74Å; F34-F75 HydrophobicContact CG-CE1 3.74Å; F34-F75 HydrophobicContact CZ-CE1 4.09Å; F34-F75 HydrophobicContact CZ-CZ 4.01Å; F34-L133 HydrophobicContact CD1-CD1 4.35Å; F34-L133 HydrophobicContact CD1-CD2 4.09Å; F34-L133 HydrophobicContact CE1-CD1 4.18Å; F34-L190 HydrophobicContact CB-CD2 4.04Å; F34-L190 HydrophobicContact CD2-CD1 3.93Å; F34-L190 HydrophobicContact CD2-CD2 3.96Å; F34-L190 HydrophobicContact CE2-CD1 4.45Å; F34-L190 HydrophobicContact CG-CD2 4.42Å
35A95.7Very high94.5Very high2 Ų231.4 Ų31.42%0.01716%0.157CC..Hα-helixtrans-56.5-50.3178.800000111.6A31 E32 N33 Y39 F55 L133A31-A35 WeakPolarHBondContact O-CB 3.44Å; A31-A35 PolarHBondContact O-N 2.89Å; E32-A35 PolarHBondContact O-N 3.36Å; N33-A35 PolarHBondContact O-N 3.04Å; A35-Y39 WeakPolarHBondContact O-CB 3.3Å; A35-Y39 PolarHBondContact O-N 2.95Å; A35-Y39 VanDerWaalsContact O-N 3.09Å; A35-F55 HydrophobicContact CB-CZ 4.49Å; A35-L133 HydrophobicContact CB-CD2 3.84Å
36S91.9Very high94.3Very high26 Ų2630.2 Ų30.218%0.18215%0.152CC..Hα-helixtrans-64.9-43.4-179.2-1730000112.4E32 N33 F34 R40 T125E32-S36 PolarHBondContact O-N 3.42Å; N33-S36 PolarHBondContact O-N 3.34Å; F34-S36 PolarHBondContact O-N 2.96Å; S36-R40 PolarHBondContact O-N 3.5Å; S36-R40 PolarHBondContact OG-NH1 2.98Å; S36-R40 PolarHBondContact OG-NH2 3.17Å; S36-T125 PolarHBondContact OG-OG1 3.44Å
37L92.2Very high94Very high28 Ų2829.7 Ų29.715%0.14715%0.149CC..Hα-helixtrans-64.9-49.3178.8-171.287000111.3N33 F34 Y39 R40 Q41 L190N33-L37 VanDerWaalsContact O-CB 3.32Å; N33-L37 WeakPolarHBondContact O-CB 3.47Å; N33-L37 PolarHBondContact O-N 3.44Å; F34-L37 PolarHBondContact O-N 2.88Å; L37-Y39 VanDerWaalsContact C-N 3.3Å; L37-Y39 PolarHBondContact O-N 3.46Å; L37-R40 PolarHBondContact O-N 3.2Å; L37-Q41 HydrophobicContact CG-CG 4.19Å; L37-Q41 WeakPolarHBondContact O-CB 3.47Å; L37-Q41 WeakPolarHBondContact O-CG 3.28Å; L37-Q41 PolarHBondContact O-N 3.47Å; L37-L190 HydrophobicContact CB-CD2 4.15Å; L37-L190 HydrophobicContact CD2-CB 4.17Å; L37-L190 HydrophobicContact CD2-CD2 3.46Å; L37-L190 VanDerWaalsContact CD2-CD2 3.46Å; L37-L190 HydrophobicContact CD2-CG 3.46Å; L37-L190 VanDerWaalsContact CD2-CG 3.46Å; L37-L190 HydrophobicContact CG-CD2 4.42Å
38C93.7Very high93.8Very high1 Ų130.3 Ų30.31%0.00715%0.151CC..Hα-helixtrans-62.2-39.2-178.4-73.80000111.7F34 R40 Q41 A42 F55 Y58 I59F34-C38 WeakPolarHBondContact CZ-SG 3.44Å; F34-C38 VanDerWaalsContact O-CB 3.3Å; F34-C38 WeakPolarHBondContact O-CB 3.47Å; F34-C38 PolarHBondContact O-N 3.42Å; F34-C38 PolarHBondContact O-SG 2.89Å; F34-C38 VanDerWaalsContact O-SG 3.35Å; C38-R40 VanDerWaalsContact C-N 3.33Å; C38-R40 PolarHBondContact O-N 2.91Å; C38-Q41 PolarHBondContact O-N 3.17Å; C38-A42 WeakPolarHBondContact O-CB 3.38Å; C38-A42 PolarHBondContact O-N 3Å; C38-F55 HydrophobicContact CB-CE2 4.09Å; C38-Y58 HydrophobicContact CB-CD1 3.98Å; C38-Y58 HydrophobicContact CB-CE1 3.85Å; C38-Y58 VanDerWaalsContact O-CE1 3.27Å; C38-Y58 WeakPolarHBondContact O-CE1 3.34Å; C38-I59 HydrophobicContact CB-CD1 3.52Å
39Y93.2Very high93.5Very high1 Ų130.3 Ų30.30%0.00415%0.152CC..Hα-helixtrans-59.4-44.9176.4-156.4-81.2000111.9A35 L37 L44 R45 C46 G50 E51 F55 P126A35-Y39 WeakPolarHBondContact O-CB 3.3Å; A35-Y39 PolarHBondContact O-N 2.95Å; A35-Y39 VanDerWaalsContact O-N 3.09Å; L37-Y39 VanDerWaalsContact C-N 3.3Å; L37-Y39 PolarHBondContact O-N 3.46Å; Y39-L44 HydrophobicContact CD1-CB 3.92Å; Y39-L44 HydrophobicContact CD2-CD1 4.1Å; Y39-L44 HydrophobicContact CE1-CB 3.4Å; Y39-L44 VanDerWaalsContact CE1-CB 3.4Å; Y39-L44 HydrophobicContact CE1-CD1 4.38Å; Y39-L44 HydrophobicContact CE2-CB 4.33Å; Y39-L44 HydrophobicContact CE2-CD1 3.86Å; Y39-L44 HydrophobicContact CG-CD1 4.43Å; Y39-L44 PolarHBondContact O-N 3.32Å; Y39-R45 PolarHBondContact OH-O 2.64Å; Y39-C46 VanDerWaalsContact CE1-SG 3.57Å; Y39-G50 WeakPolarHBondContact OH-CA 3.33Å; Y39-E51 PolarHBondContact OH-N 3.38Å; Y39-F55 HydrophobicContact CD2-CB 4.14Å; Y39-F55 HydrophobicContact CD2-CD1 4.45Å; Y39-F55 AromaticContact CD2-CD2 3.53Å; Y39-F55 HydrophobicContact CD2-CD2 3.53Å; Y39-F55 AromaticContact CD2-CE2 4Å; Y39-F55 HydrophobicContact CD2-CE2 4Å; Y39-F55 AromaticContact CD2-CG 3.79Å; Y39-F55 HydrophobicContact CD2-CG 3.79Å; Y39-F55 HydrophobicContact CE2-CB 3.97Å; Y39-F55 HydrophobicContact CE2-CD2 4.23Å; Y39-F55 HydrophobicContact CE2-CG 4.09Å; Y39-F55 HydrophobicContact CG-CD2 4.32Å; Y39-P126 HydrophobicContact CD1-CG 4.5Å; Y39-P126 HydrophobicContact CE1-CG 3.76Å; Y39-P126 HydrophobicContact CE2-CG 3.98Å; Y39-P126 VanDerWaalsContact CZ-CG 3.5Å
40R90.8Very high93.4Very high104 Ų10430.3 Ų30.339%0.39215%0.152SC..Hα-helixtrans-68.6-45.9177.1-74.8-170-67-101.1-9.6112.9S36 L37 C38 A42 T43 D123S36-R40 PolarHBondContact O-N 3.5Å; S36-R40 PolarHBondContact OG-NH1 2.98Å; S36-R40 PolarHBondContact OG-NH2 3.17Å; L37-R40 PolarHBondContact O-N 3.2Å; C38-R40 VanDerWaalsContact C-N 3.33Å; C38-R40 PolarHBondContact O-N 2.91Å; R40-A42 PolarHBondContact O-N 3.47Å; R40-T43 WeakPolarHBondContact O-CA 3.45Å; R40-T43 PolarHBondContact O-N 3.31Å; R40-D123 WeakPolarHBondContact CD-OD1 3.45Å
41Q90.6Very high93.3Very high79 Ų7930.4 Ų30.437%0.36915%0.152SC..Hα-helixtrans-64.4-29.4179.7-74.7-176.6-22.200112.6L37 C38 T43 Y58L37-Q41 HydrophobicContact CG-CG 4.19Å; L37-Q41 WeakPolarHBondContact O-CB 3.47Å; L37-Q41 WeakPolarHBondContact O-CG 3.28Å; L37-Q41 PolarHBondContact O-N 3.47Å; C38-Q41 PolarHBondContact O-N 3.17Å; Q41-T43 PolarHBondContact O-N 3.27Å; Q41-Y58 HydrophobicContact CB-CE1 4.42Å; Q41-Y58 WeakPolarHBondContact CB-OH 3.32Å
42A91.2Very high93.3Very high16 Ų1630.4 Ų30.413%0.13215%0.152CC..THydrogen-bonded Turntrans-73.6-2.9171.500000113.5C38 R40 L44 Y58C38-A42 WeakPolarHBondContact O-CB 3.38Å; C38-A42 PolarHBondContact O-N 3Å; R40-A42 PolarHBondContact O-N 3.47Å; A42-L44 HydrophobicContact CB-CD1 3.9Å; A42-L44 HydrophobicContact CB-CD2 4.31Å; A42-L44 HydrophobicContact CB-CG 3.65Å; A42-L44 PolarHBondContact O-N 3.29Å; A42-Y58 HydrophobicContact CB-CD1 3.74Å; A42-Y58 HydrophobicContact CB-CD2 3.69Å; A42-Y58 HydrophobicContact CB-CE1 3.97Å; A42-Y58 HydrophobicContact CB-CE2 3.96Å; A42-Y58 HydrophobicContact CB-CG 3.57Å
43T90.9Very high93.4Very high126 Ų12626.9 Ų26.977%0.77314%0.135SC*.THydrogen-bonded Turntrans52.438.8-17957.40000112.5R40 Q41R40-T43 WeakPolarHBondContact O-CA 3.45Å; R40-T43 PolarHBondContact O-N 3.31Å; Q41-T43 PolarHBondContact O-N 3.27Å
44L92.6Very high93.5Very high34 Ų3426.5 Ų26.518%0.17814%0.136CC..  trans-82140.8-177.2-62.6177.3000110.9Y39 A42 C46 E51 A54 F55Y39-L44 HydrophobicContact CD1-CB 3.92Å; Y39-L44 HydrophobicContact CD2-CD1 4.1Å; Y39-L44 HydrophobicContact CE1-CB 3.4Å; Y39-L44 VanDerWaalsContact CE1-CB 3.4Å; Y39-L44 HydrophobicContact CE1-CD1 4.38Å; Y39-L44 HydrophobicContact CE2-CB 4.33Å; Y39-L44 HydrophobicContact CE2-CD1 3.86Å; Y39-L44 HydrophobicContact CG-CD1 4.43Å; Y39-L44 PolarHBondContact O-N 3.32Å; A42-L44 HydrophobicContact CB-CD1 3.9Å; A42-L44 HydrophobicContact CB-CD2 4.31Å; A42-L44 HydrophobicContact CB-CG 3.65Å; A42-L44 PolarHBondContact O-N 3.29Å; L44-C46 PolarHBondContact O-N 3.45Å; L44-E51 HydrophobicContact CD2-CB 4.46Å; L44-A54 HydrophobicContact CD1-CB 4.43Å; L44-A54 HydrophobicContact CD2-CB 3.61Å; L44-F55 HydrophobicContact CD1-CB 3.71Å; L44-F55 HydrophobicContact CD1-CD2 4.28Å; L44-F55 HydrophobicContact CD1-CG 4.49Å
45R89.6Confident93.5Very high86 Ų8626.5 Ų26.533%0.32514%0.136SC..  trans-70.6126.7179.3-78.1-173.7-65-146.9-18.4111.9Y39 E47 Y48 E51Y39-R45 PolarHBondContact OH-O 2.64Å; R45-E47 WeakPolarHBondContact CA-OE2 3.27Å; R45-E47 VanDerWaalsContact CB-OE2 3.23Å; R45-E47 WeakPolarHBondContact CB-OE2 3.39Å; R45-E47 WeakPolarHBondContact CD-OE1 3.4Å; R45-Y48 HydrophobicContact CB-CD2 4.43Å; R45-E51 HydrophobicContact CB-CG 4.48Å
46C92Very high93.5Very high8 Ų826.6 Ų26.65%0.05414%0.136CC..  trans-98.2-23.9-178.4-69.20000112.4Y39 L44 Y48 G49 I122 I124Y39-C46 VanDerWaalsContact CE1-SG 3.57Å; L44-C46 PolarHBondContact O-N 3.45Å; C46-Y48 PolarHBondContact O-N 3.23Å; C46-Y48 VanDerWaalsContact O-N 3.12Å; C46-G49 PolarHBondContact O-N 2.9Å; C46-I122 WeakPolarHBondContact CB-O 3.39Å; C46-I124 WeakPolarHBondContact CB-O 3.46Å
47E91.4Very high93.6Very high3 Ų328.6 Ų28.61%0.01414%0.139CC..THydrogen-bonded Turntrans-65.4-18.9-17168.6-88.7-15400114.2R45 L120 I122 F605 V610R45-E47 WeakPolarHBondContact CA-OE2 3.27Å; R45-E47 VanDerWaalsContact CB-OE2 3.23Å; R45-E47 WeakPolarHBondContact CB-OE2 3.39Å; R45-E47 WeakPolarHBondContact CD-OE1 3.4Å; E47-L120 HydrophobicContact CB-CB 4.1Å; E47-L120 HydrophobicContact CB-CD1 3.8Å; E47-L120 HydrophobicContact CB-CG 4.43Å; E47-L120 HydrophobicContact CG-CB 4.37Å; E47-L120 HydrophobicContact CG-CD1 3.98Å; E47-L120 HydrophobicContact CG-CG 4.45Å; E47-I122 HydrophobicContact CB-CB 4.46Å; E47-I122 HydrophobicContact CB-CD1 3.94Å; E47-F605 HydrophobicContact CB-CE2 4.46Å; E47-F605 HydrophobicContact CB-CZ 4.48Å; E47-F605 HydrophobicContact CG-CE2 4.41Å; E47-V610 WeakPolarHBondContact O-CG1 3.42Å
48Y93.7Very high93.7Very high13 Ų1329.3 Ų29.35%0.05114%0.14CC..THydrogen-bonded Turntrans-99.313.7177.7-57.6-72.9000113.4R45 C46 G50 F605 G666 R667 Y670R45-Y48 HydrophobicContact CB-CD2 4.43Å; C46-Y48 PolarHBondContact O-N 3.23Å; C46-Y48 VanDerWaalsContact O-N 3.12Å; Y48-G50 VanDerWaalsContact C-N 3.3Å; Y48-G50 PolarHBondContact O-N 3.45Å; Y48-F605 HydrophobicContact CD1-CE2 4.34Å; Y48-F605 HydrophobicContact CE1-CD2 4.41Å; Y48-F605 HydrophobicContact CE1-CE2 4.03Å; Y48-G666 VanDerWaalsContact CB-C 3.48Å; Y48-G666 WeakPolarHBondContact O-CA 3.27Å; Y48-R667 HydrophobicContact CD2-CB 3.73Å; Y48-R667 HydrophobicContact CD2-CG 4.09Å; Y48-R667 HydrophobicContact CE2-CB 4.19Å; Y48-R667 HydrophobicContact CE2-CG 4.03Å; Y48-R667 HydrophobicContact CG-CB 3.99Å; Y48-R667 HydrophobicContact CG-CG 4.48Å; Y48-Y670 AromaticContact CD1-CD1 3.74Å; Y48-Y670 HydrophobicContact CD1-CD1 3.74Å; Y48-Y670 HydrophobicContact CD1-CD2 4.09Å; Y48-Y670 HydrophobicContact CD1-CE1 4.41Å; Y48-Y670 AromaticContact CD1-CG 3.56Å; Y48-Y670 HydrophobicContact CD1-CG 3.56Å; Y48-Y670 AromaticContact CE1-CD1 3.42Å; Y48-Y670 HydrophobicContact CE1-CD1 3.42Å; Y48-Y670 VanDerWaalsContact CE1-CD1 3.42Å; Y48-Y670 HydrophobicContact CE1-CD2 4.37Å; Y48-Y670 AromaticContact CE1-CE1 3.78Å; Y48-Y670 HydrophobicContact CE1-CE1 3.78Å; Y48-Y670 AromaticContact CE1-CG 3.76Å; Y48-Y670 HydrophobicContact CE1-CG 3.76Å
49G93.1Very high93.8Very high1 Ų129.2 Ų29.21%0.0114%0.14CC..SBendtrans79.86.1179.700000114.9C46 Y52 N614 Q617C46-G49 PolarHBondContact O-N 2.9Å; G49-Y52 PolarHBondContact O-OH 3.38Å; G49-N614 WeakPolarHBondContact CA-OD1 3.21Å; G49-Q617 PolarHBondContact O-NE2 3.15Å; G49-Q617 PolarHBondContact O-OE1 2.96Å
50G95.6Very high93.9Very high0 Ų031.2 Ų31.20%015%0.149CC..  trans124.3140.216500000116.7Y39 Y48 G666Y39-G50 WeakPolarHBondContact OH-CA 3.33Å; Y48-G50 VanDerWaalsContact C-N 3.3Å; Y48-G50 PolarHBondContact O-N 3.45Å; G50-G666 WeakPolarHBondContact O-CA 3.45Å; G50-G666 PolarHBondContact O-N 3.37Å
51E96.7Very high94Very high9 Ų930.3 Ų30.34%0.04215%0.152CC..  trans-10272.4171.8-60.2-61.514500112.2Y39 L44 R45 L53 A54 F55 S665 R667Y39-E51 PolarHBondContact OH-N 3.38Å; L44-E51 HydrophobicContact CD2-CB 4.46Å; R45-E51 HydrophobicContact CB-CG 4.48Å; E51-L53 PolarHBondContact O-N 3.27Å; E51-A54 HydrophobicContact CB-CB 4.13Å; E51-A54 PolarHBondContact O-N 2.9Å; E51-F55 PolarHBondContact O-N 3.15Å; E51-S665 PolarHBondContact OE1-OG 3.2Å; E51-S665 WeakPolarHBondContact OE2-CA 3.46Å; E51-S665 WeakPolarHBondContact OE2-CB 3.33Å; E51-S665 PolarHBondContact OE2-OG 3.23Å; E51-R667 WeakPolarHBondContact OE1-CB 3.46Å; E51-R667 PolarHBondContact OE1-N 3.27Å
52Y97.8Very high94.1Very high0 Ų026.8 Ų26.80%014%0.135CC..Hα-helixtrans-72.2-30.3-166.8-62.2-62.1000115.2G49 F55 K56 P126 R127 L128 V132 Q617 F663 A664G49-Y52 PolarHBondContact O-OH 3.38Å; Y52-F55 PolarHBondContact O-N 3.48Å; Y52-K56 WeakPolarHBondContact O-CB 3.26Å; Y52-K56 PolarHBondContact O-N 2.8Å; Y52-P126 HydrophobicContact CE1-CB 3.88Å; Y52-P126 WeakPolarHBondContact OH-CB 3.42Å; Y52-R127 PolarHBondContact OH-N 2.98Å; Y52-L128 HydrophobicContact CE1-CB 3.78Å; Y52-L128 HydrophobicContact CE2-CB 4.1Å; Y52-L128 HydrophobicContact CE2-CD1 4.1Å; Y52-L128 HydrophobicContact CE2-CG 4.4Å; Y52-L128 WeakPolarHBondContact OH-CB 2.81Å; Y52-L128 PolarHBondContact OH-N 2.84Å; Y52-V132 HydrophobicContact CD1-CB 4.24Å; Y52-V132 HydrophobicContact CD1-CG1 4.49Å; Y52-V132 HydrophobicContact CD1-CG2 3.72Å; Y52-V132 HydrophobicContact CE1-CG2 4.38Å; Y52-V132 HydrophobicContact CG-CG2 3.91Å; Y52-Q617 VanDerWaalsContact CE2-OE1 3.32Å; Y52-Q617 PolarHBondContact OH-OE1 3.25Å; Y52-F663 HydrophobicContact CD2-CB 3.54Å; Y52-F663 VanDerWaalsContact CD2-O 3.26Å; Y52-F663 WeakPolarHBondContact CD2-O 3.15Å; Y52-F663 HydrophobicContact CE2-CB 3.82Å; Y52-A664 PolarHBondContact N-O 3.41Å
53L96.9Very high94.3Very high2 Ų226.4 Ų26.41%0.0113%0.131CC..Hα-helixtrans-70.9-36.3173.8-179.461.2000111.4E51 K56 R57 I582 C583 L586 W660 A664E51-L53 PolarHBondContact O-N 3.27Å; L53-K56 HydrophobicContact CD1-CD 4.22Å; L53-K56 PolarHBondContact O-N 3.34Å; L53-R57 WeakPolarHBondContact O-CG 3.3Å; L53-R57 PolarHBondContact O-N 3.5Å; L53-R57 VanDerWaalsContact O-N 3.15Å; L53-I582 HydrophobicContact CD2-CB 3.98Å; L53-I582 HydrophobicContact CD2-CG2 3.55Å; L53-C583 HydrophobicContact CD2-CB 3.96Å; L53-C583 HydrophobicContact CG-CB 4.12Å; L53-L586 HydrophobicContact CD2-CD1 3.96Å; L53-W660 HydrophobicContact CD1-CE3 3.89Å; L53-W660 HydrophobicContact CD1-CZ3 4.03Å; L53-A664 HydrophobicContact CB-CB 3.99Å; L53-A664 WeakPolarHBondContact CB-O 3.38Å; L53-A664 HydrophobicContact CD2-CB 4.47Å; L53-A664 PolarHBondContact N-O 2.91Å
54A96.5Very high94.5Very high17 Ų1726.9 Ų26.914%0.1412%0.122CC..Hα-helixtrans-67.5-40.9174.300000111.1L44 E51 R57 Y58L44-A54 HydrophobicContact CD1-CB 4.43Å; L44-A54 HydrophobicContact CD2-CB 3.61Å; E51-A54 HydrophobicContact CB-CB 4.13Å; E51-A54 PolarHBondContact O-N 2.9Å; A54-R57 PolarHBondContact O-N 2.92Å; A54-Y58 PolarHBondContact O-N 3.24Å; A54-Y58 VanDerWaalsContact O-N 3.12Å
55F97Very high94.6Very high0 Ų028.5 Ų28.50%013%0.128CC..Hα-helixtrans-59.1-47.5172.5-179.5-121.2000111.9A35 C38 Y39 L44 E51 Y52 R57 Y58 I59 C129 V132 L133 I136A35-F55 HydrophobicContact CB-CZ 4.49Å; C38-F55 HydrophobicContact CB-CE2 4.09Å; Y39-F55 HydrophobicContact CD2-CB 4.14Å; Y39-F55 HydrophobicContact CD2-CD1 4.45Å; Y39-F55 AromaticContact CD2-CD2 3.53Å; Y39-F55 HydrophobicContact CD2-CD2 3.53Å; Y39-F55 AromaticContact CD2-CE2 4Å; Y39-F55 HydrophobicContact CD2-CE2 4Å; Y39-F55 AromaticContact CD2-CG 3.79Å; Y39-F55 HydrophobicContact CD2-CG 3.79Å; Y39-F55 HydrophobicContact CE2-CB 3.97Å; Y39-F55 HydrophobicContact CE2-CD2 4.23Å; Y39-F55 HydrophobicContact CE2-CG 4.09Å; Y39-F55 HydrophobicContact CG-CD2 4.32Å; L44-F55 HydrophobicContact CD1-CB 3.71Å; L44-F55 HydrophobicContact CD1-CD2 4.28Å; L44-F55 HydrophobicContact CD1-CG 4.49Å; E51-F55 PolarHBondContact O-N 3.15Å; Y52-F55 PolarHBondContact O-N 3.48Å; F55-R57 VanDerWaalsContact C-N 3.34Å; F55-R57 PolarHBondContact O-N 2.96Å; F55-Y58 WeakPolarHBondContact O-CB 3.27Å; F55-Y58 PolarHBondContact O-N 3.38Å; F55-I59 HydrophobicContact CD2-CD1 4.29Å; F55-I59 HydrophobicContact CD2-CG1 4.24Å; F55-I59 HydrophobicContact CE1-CG1 4.19Å; F55-I59 HydrophobicContact CE2-CD1 3.63Å; F55-I59 HydrophobicContact CE2-CG1 3.85Å; F55-I59 HydrophobicContact CZ-CD1 3.86Å; F55-I59 HydrophobicContact CZ-CG1 3.81Å; F55-I59 WeakPolarHBondContact O-CG1 3.35Å; F55-I59 PolarHBondContact O-N 3.25Å; F55-C129 VanDerWaalsContact CZ-SG 3.57Å; F55-V132 HydrophobicContact CD1-CB 4.39Å; F55-V132 HydrophobicContact CD1-CG1 3.8Å; F55-V132 HydrophobicContact CE1-CG1 4.28Å; F55-L133 HydrophobicContact CE1-CB 4.38Å; F55-I136 HydrophobicContact CD1-CD1 4.44Å
56K96.1Very high94.9Very high4 Ų424.4 Ų24.42%0.01711%0.113CC..Hα-helixtrans-51.4-50.3174.6168.6174.9-165.487.10113.1Y52 L53 Y58 I59 Q60 I136 E139 W660Y52-K56 WeakPolarHBondContact O-CB 3.26Å; Y52-K56 PolarHBondContact O-N 2.8Å; L53-K56 HydrophobicContact CD1-CD 4.22Å; L53-K56 PolarHBondContact O-N 3.34Å; K56-Y58 VanDerWaalsContact C-N 3.29Å; K56-Y58 PolarHBondContact O-N 3.18Å; K56-I59 PolarHBondContact O-N 3.23Å; K56-Q60 WeakPolarHBondContact O-CG 3.35Å; K56-Q60 PolarHBondContact O-N 3Å; K56-I136 VanDerWaalsContact CA-CD1 3.48Å; K56-I136 HydrophobicContact CB-CD1 3.85Å; K56-I136 HydrophobicContact CB-CG1 4.05Å; K56-I136 HydrophobicContact CG-CD1 4.26Å; K56-I136 HydrophobicContact CG-CG1 3.94Å; K56-E139 VanDerWaalsContact NZ-CD 3.28Å; K56-E139 IonicContact NZ-OE1 3.33Å; K56-E139 PolarHBondContact NZ-OE1 3.18Å; K56-E139 IonicContact NZ-OE2 3.35Å; K56-E139 PolarHBondContact NZ-OE2 3.45Å; K56-W660 HydrophobicContact CD-CD2 3.66Å; K56-W660 HydrophobicContact CD-CE3 3.94Å; K56-W660 HydrophobicContact CD-CG 3.94Å; K56-W660 HydrophobicContact CD-CZ2 4.41Å; K56-W660 HydrophobicContact CD-CZ3 4.45Å
57R94.5Very high95.1Very high69 Ų6932.1 Ų32.126%0.2614%0.141SC..Hα-helixtrans-58-43.9177.4-70.5172.960.1-154.5-8.7112.1L53 A54 F55 Q60 L61 S579 N580 C583L53-R57 WeakPolarHBondContact O-CG 3.3Å; L53-R57 PolarHBondContact O-N 3.5Å; L53-R57 VanDerWaalsContact O-N 3.15Å; A54-R57 PolarHBondContact O-N 2.92Å; F55-R57 VanDerWaalsContact C-N 3.34Å; F55-R57 PolarHBondContact O-N 2.96Å; R57-Q60 PolarHBondContact O-N 2.83Å; R57-L61 WeakPolarHBondContact O-CG 3.24Å; R57-L61 PolarHBondContact O-N 3.15Å; R57-L61 VanDerWaalsContact O-N 3.08Å; R57-S579 WeakPolarHBondContact CD-O 3.45Å; R57-N580 PolarHBondContact NH1-OD1 3.19Å; R57-N580 PolarHBondContact NH2-OD1 3.23Å; R57-C583 PolarHBondContact NH1-SG 3.39Å
58Y94.6Very high95.2Very high42 Ų4234.6 Ų34.617%0.16516%0.156CC..Hα-helixtrans-64.5-43-178.8-171.4-102.5000112C38 Q41 A42 A54 F55 K56 Q60 L61 F62 L195C38-Y58 HydrophobicContact CB-CD1 3.98Å; C38-Y58 HydrophobicContact CB-CE1 3.85Å; C38-Y58 VanDerWaalsContact O-CE1 3.27Å; C38-Y58 WeakPolarHBondContact O-CE1 3.34Å; Q41-Y58 HydrophobicContact CB-CE1 4.42Å; Q41-Y58 WeakPolarHBondContact CB-OH 3.32Å; A42-Y58 HydrophobicContact CB-CD1 3.74Å; A42-Y58 HydrophobicContact CB-CD2 3.69Å; A42-Y58 HydrophobicContact CB-CE1 3.97Å; A42-Y58 HydrophobicContact CB-CE2 3.96Å; A42-Y58 HydrophobicContact CB-CG 3.57Å; A54-Y58 PolarHBondContact O-N 3.24Å; A54-Y58 VanDerWaalsContact O-N 3.12Å; F55-Y58 WeakPolarHBondContact O-CB 3.27Å; F55-Y58 PolarHBondContact O-N 3.38Å; K56-Y58 VanDerWaalsContact C-N 3.29Å; K56-Y58 PolarHBondContact O-N 3.18Å; Y58-Q60 PolarHBondContact O-N 3.5Å; Y58-L61 WeakPolarHBondContact O-CB 3.48Å; Y58-L61 PolarHBondContact O-N 2.98Å; Y58-F62 HydrophobicContact CD1-CD2 4.25Å; Y58-F62 HydrophobicContact CD1-CE2 4.16Å; Y58-F62 AromaticContact CE1-CD2 3.95Å; Y58-F62 HydrophobicContact CE1-CD2 3.95Å; Y58-F62 AromaticContact CE1-CE2 3.41Å; Y58-F62 HydrophobicContact CE1-CE2 3.41Å; Y58-F62 VanDerWaalsContact CE1-CE2 3.41Å; Y58-F62 AromaticContact CZ-CE2 3.67Å; Y58-F62 PolarHBondContact O-N 3.02Å; Y58-L195 HydrophobicContact CE2-CD1 4.05Å
59I95.6Very high95.3Very high0 Ų034 Ų340%015%0.153CC..Hα-helixtrans-62.9-42173.8-60.1-43.7000111.4F34 C38 F55 K56 L61 F62 L63 L133 I136F34-I59 HydrophobicContact CD1-CD1 4.48Å; F34-I59 HydrophobicContact CE1-CD1 3.63Å; F34-I59 HydrophobicContact CE1-CG2 4.42Å; F34-I59 HydrophobicContact CZ-CD1 4.21Å; C38-I59 HydrophobicContact CB-CD1 3.52Å; F55-I59 HydrophobicContact CD2-CD1 4.29Å; F55-I59 HydrophobicContact CD2-CG1 4.24Å; F55-I59 HydrophobicContact CE1-CG1 4.19Å; F55-I59 HydrophobicContact CE2-CD1 3.63Å; F55-I59 HydrophobicContact CE2-CG1 3.85Å; F55-I59 HydrophobicContact CZ-CD1 3.86Å; F55-I59 HydrophobicContact CZ-CG1 3.81Å; F55-I59 WeakPolarHBondContact O-CG1 3.35Å; F55-I59 PolarHBondContact O-N 3.25Å; K56-I59 PolarHBondContact O-N 3.23Å; I59-L61 PolarHBondContact O-N 3.39Å; I59-F62 WeakPolarHBondContact O-CA 3.41Å; I59-F62 WeakPolarHBondContact O-CB 3.12Å; I59-F62 PolarHBondContact O-N 3.32Å; I59-L63 HydrophobicContact CG2-CD1 4.17Å; I59-L63 HydrophobicContact CG2-CG 4.22Å; I59-L63 WeakPolarHBondContact O-CG 3.18Å; I59-L63 PolarHBondContact O-N 3.06Å; I59-L133 HydrophobicContact CG1-CD1 4.26Å; I59-L133 HydrophobicContact CG2-CD1 3.91Å; I59-I136 HydrophobicContact CB-CD1 4.16Å; I59-I136 HydrophobicContact CB-CG2 4.23Å; I59-I136 HydrophobicContact CG1-CD1 4.14Å; I59-I136 HydrophobicContact CG2-CD1 4.49Å; I59-I136 HydrophobicContact CG2-CG2 3.76Å
60Q94.3Very high95.4Very high42 Ų4238 Ų3820%0.19617%0.171CC..Hα-helixtrans-60.8-30.1176.8-73.4171.1-44.200112.6K56 R57 Y58 K64 I136K56-Q60 WeakPolarHBondContact O-CG 3.35Å; K56-Q60 PolarHBondContact O-N 3Å; R57-Q60 PolarHBondContact O-N 2.83Å; Y58-Q60 PolarHBondContact O-N 3.5Å; Q60-K64 VanDerWaalsContact O-CB 3.24Å; Q60-K64 WeakPolarHBondContact O-CB 3.16Å; Q60-K64 PolarHBondContact O-N 3.35Å; Q60-I136 HydrophobicContact CG-CG2 4.28Å
61L93Very high95.4Very high86 Ų8638.3 Ų38.345%0.4517%0.173SC..Hα-helixtrans-64.8-45.8171-66.1172.4000111.5R57 Y58 I59 K64 K65R57-L61 WeakPolarHBondContact O-CG 3.24Å; R57-L61 PolarHBondContact O-N 3.15Å; R57-L61 VanDerWaalsContact O-N 3.08Å; Y58-L61 WeakPolarHBondContact O-CB 3.48Å; Y58-L61 PolarHBondContact O-N 2.98Å; I59-L61 PolarHBondContact O-N 3.39Å; L61-K64 PolarHBondContact O-N 2.84Å; L61-K65 VanDerWaalsContact O-CG 3.23Å; L61-K65 WeakPolarHBondContact O-CG 3.3Å; L61-K65 PolarHBondContact O-N 2.79Å
62F93Very high95.4Very high4 Ų441 Ų412%0.01819%0.189CC..Hα-helixtrans-56.9-51.8173.6-91.7-85.4000111.7F34 Y58 I59 K64 K65 F66 L195F34-F62 HydrophobicContact CE2-CD1 4.19Å; F34-F62 HydrophobicContact CE2-CG 4.39Å; F34-F62 HydrophobicContact CZ-CB 4.2Å; F34-F62 HydrophobicContact CZ-CD1 4.38Å; F34-F62 HydrophobicContact CZ-CG 4.12Å; Y58-F62 HydrophobicContact CD1-CD2 4.25Å; Y58-F62 HydrophobicContact CD1-CE2 4.16Å; Y58-F62 AromaticContact CE1-CD2 3.95Å; Y58-F62 HydrophobicContact CE1-CD2 3.95Å; Y58-F62 AromaticContact CE1-CE2 3.41Å; Y58-F62 HydrophobicContact CE1-CE2 3.41Å; Y58-F62 VanDerWaalsContact CE1-CE2 3.41Å; Y58-F62 AromaticContact CZ-CE2 3.67Å; Y58-F62 PolarHBondContact O-N 3.02Å; I59-F62 WeakPolarHBondContact O-CA 3.41Å; I59-F62 WeakPolarHBondContact O-CB 3.12Å; I59-F62 PolarHBondContact O-N 3.32Å; F62-K64 VanDerWaalsContact C-N 3.29Å; F62-K64 PolarHBondContact O-N 3.48Å; F62-K65 PolarHBondContact O-N 3.48Å; F62-F66 HydrophobicContact CB-CE2 4.49Å; F62-F66 HydrophobicContact CD1-CE2 4.46Å; F62-F66 HydrophobicContact CD1-CZ 4.23Å; F62-F66 PolarHBondContact O-N 3.46Å; F62-L195 HydrophobicContact CB-CD2 4.27Å; F62-L195 HydrophobicContact CD1-CD2 3.62Å; F62-L195 HydrophobicContact CD1-CG 4.44Å; F62-L195 HydrophobicContact CD2-CD1 4.06Å; F62-L195 HydrophobicContact CD2-CD2 3.69Å; F62-L195 HydrophobicContact CD2-CG 4.22Å; F62-L195 HydrophobicContact CE1-CD2 3.74Å; F62-L195 HydrophobicContact CE1-CG 4.08Å; F62-L195 HydrophobicContact CE2-CD1 3.64Å; F62-L195 HydrophobicContact CE2-CD2 3.78Å; F62-L195 HydrophobicContact CE2-CG 3.82Å; F62-L195 HydrophobicContact CG-CD2 3.59Å; F62-L195 HydrophobicContact CZ-CD1 4.06Å; F62-L195 HydrophobicContact CZ-CD2 3.82Å; F62-L195 HydrophobicContact CZ-CG 3.76Å
63L95.5Very high95.5Very high9 Ų941.6 Ų41.65%0.04719%0.192CC..Hα-helixtrans-61.5-38.1-179.1-62.8-178.3000112.1I59 F66 R67 P73 F75 I136 L137 V142I59-L63 HydrophobicContact CG2-CD1 4.17Å; I59-L63 HydrophobicContact CG2-CG 4.22Å; I59-L63 WeakPolarHBondContact O-CG 3.18Å; I59-L63 PolarHBondContact O-N 3.06Å; L63-F66 HydrophobicContact CD2-CD2 4.32Å; L63-F66 PolarHBondContact O-N 3.32Å; L63-R67 WeakPolarHBondContact O-CB 2.98Å; L63-R67 PolarHBondContact O-N 2.96Å; L63-P73 HydrophobicContact CD2-CG 4.15Å; L63-F75 HydrophobicContact CD2-CE2 4.16Å; L63-F75 HydrophobicContact CD2-CZ 4.41Å; L63-I136 HydrophobicContact CD1-CG2 4.18Å; L63-L137 HydrophobicContact CD1-CD2 4.36Å; L63-L137 HydrophobicContact CD2-CD2 4.33Å; L63-V142 HydrophobicContact CD1-CG2 4Å; L63-V142 HydrophobicContact CD2-CG2 3.98Å
64K94.4Very high95.5Very high136 Ų13641.5 Ų41.559%0.59119%0.191SC*.Hα-helixtrans-62-43.4174-177.8177.3179177.80111.5Q60 L61 F62 R67 T68Q60-K64 VanDerWaalsContact O-CB 3.24Å; Q60-K64 WeakPolarHBondContact O-CB 3.16Å; Q60-K64 PolarHBondContact O-N 3.35Å; L61-K64 PolarHBondContact O-N 2.84Å; F62-K64 VanDerWaalsContact C-N 3.29Å; F62-K64 PolarHBondContact O-N 3.48Å; K64-R67 PolarHBondContact O-N 2.85Å; K64-T68 PolarHBondContact O-N 3.34Å; K64-T68 PolarHBondContact O-OG1 2.97Å; K64-T68 VanDerWaalsContact O-OG1 3.08Å
65K95.2Very high95.6Very high67 Ų6740.7 Ų40.729%0.29119%0.185SC..Hα-helixtrans-66.2-42.8178.8-64.9-72.5175.8172.70111.6L61 F62 R67 T68 C69 L195 C197 I217L61-K65 VanDerWaalsContact O-CG 3.23Å; L61-K65 WeakPolarHBondContact O-CG 3.3Å; L61-K65 PolarHBondContact O-N 2.79Å; F62-K65 PolarHBondContact O-N 3.48Å; K65-R67 VanDerWaalsContact C-N 3.34Å; K65-R67 PolarHBondContact O-N 3.38Å; K65-T68 PolarHBondContact O-N 3.07Å; K65-C69 PolarHBondContact O-N 3.44Å; K65-C69 VanDerWaalsContact O-N 3.08Å; K65-L195 HydrophobicContact CB-CD2 4.47Å; K65-L195 WeakPolarHBondContact CE-O 3.33Å; K65-L195 HydrophobicContact CG-CD2 3.99Å; K65-C197 HydrophobicContact CD-CB 4.48Å; K65-C197 WeakPolarHBondContact CD-SG 3.43Å; K65-I217 HydrophobicContact CB-CD1 4.42Å
66F96.5Very high95.7Very high1 Ų140.7 Ų40.70%0.00419%0.185CC..Hα-helixtrans-56.6-48.7171.7-68-34.5000111.4L22 L27 I29 F62 L63 T68 C69 H70 V71 P73 I193 I217L22-F66 HydrophobicContact CD2-CE1 4.25Å; L27-F66 HydrophobicContact CD2-CE1 4.07Å; L27-F66 HydrophobicContact CD2-CZ 4.1Å; I29-F66 HydrophobicContact CD1-CE2 3.98Å; I29-F66 HydrophobicContact CD1-CZ 4.29Å; F62-F66 HydrophobicContact CB-CE2 4.49Å; F62-F66 HydrophobicContact CD1-CE2 4.46Å; F62-F66 HydrophobicContact CD1-CZ 4.23Å; F62-F66 PolarHBondContact O-N 3.46Å; L63-F66 HydrophobicContact CD2-CD2 4.32Å; L63-F66 PolarHBondContact O-N 3.32Å; F66-T68 PolarHBondContact O-N 2.89Å; F66-C69 CarbonylContact O-C 3.55Å; F66-C69 PolarHBondContact O-N 3.14Å; F66-C69 VanDerWaalsContact O-N 3.1Å; F66-H70 PolarHBondContact O-N 2.92Å; F66-V71 CarbonylContact C-O 3.58Å; F66-V71 HydrophobicContact CB-CB 3.95Å; F66-V71 HydrophobicContact CB-CG1 4.36Å; F66-V71 HydrophobicContact CD1-CB 4.02Å; F66-V71 HydrophobicContact CD1-CG1 3.9Å; F66-V71 HydrophobicContact CD1-CG2 4.49Å; F66-V71 HydrophobicContact CG-CB 4.3Å; F66-V71 HydrophobicContact CG-CG1 4.26Å; F66-V71 PolarHBondContact O-N 3.16Å; F66-P73 HydrophobicContact CB-CG 4.43Å; F66-P73 HydrophobicContact CD2-CB 3.92Å; F66-P73 HydrophobicContact CD2-CG 3.88Å; F66-P73 HydrophobicContact CE2-CB 4.19Å; F66-P73 HydrophobicContact CG-CG 4.48Å; F66-I193 HydrophobicContact CE1-CG2 4.16Å; F66-I217 HydrophobicContact CD1-CD1 3.63Å; F66-I217 HydrophobicContact CE1-CD1 3.91Å
67R95.1Very high95.8Very high170 Ų17040.5 Ų40.564%0.64218%0.184SC*.Hα-helixtrans-59.3-44.3176.4-171.1-177.1-63.4161.30.2112.8L63 K64 K65 C69 H70L63-R67 WeakPolarHBondContact O-CB 2.98Å; L63-R67 PolarHBondContact O-N 2.96Å; K64-R67 PolarHBondContact O-N 2.85Å; K65-R67 VanDerWaalsContact C-N 3.34Å; K65-R67 PolarHBondContact O-N 3.38Å; R67-C69 PolarHBondContact O-N 3.35Å; R67-H70 PolarHBondContact O-N 3.47Å; R67-H70 VanDerWaalsContact O-N 3.09Å
68T94.5Very high95.8Very high54 Ų5437.9 Ų37.933%0.33118%0.179SC..Hα-helixtrans-58.2-34.5176.5-64.80000112.2K64 K65 F66 C197 Y215K64-T68 PolarHBondContact O-N 3.34Å; K64-T68 PolarHBondContact O-OG1 2.97Å; K64-T68 VanDerWaalsContact O-OG1 3.08Å; K65-T68 PolarHBondContact O-N 3.07Å; F66-T68 PolarHBondContact O-N 2.89Å; T68-C197 HydrophobicContact CG2-CB 4.36Å; T68-Y215 HydrophobicContact CG2-CD2 3.81Å; T68-Y215 HydrophobicContact CG2-CE2 4.4Å; T68-Y215 HydrophobicContact CG2-CG 3.93Å
69C95.6Very high95.9Very high0 Ų036.6 Ų36.60%018%0.178CC..THydrogen-bonded Turntrans-94.38.4178.7-65.30000114H23 N24 K65 F66 R67 V71 C197 Y215 F216 I217H23-C69 WeakPolarHBondContact CA-O 3.26Å; H23-C69 PolarHBondContact ND1-O 2.67Å; H23-C69 VanDerWaalsContact ND1-O 3.15Å; N24-C69 PolarHBondContact N-O 2.67Å; K65-C69 PolarHBondContact O-N 3.44Å; K65-C69 VanDerWaalsContact O-N 3.08Å; F66-C69 CarbonylContact O-C 3.55Å; F66-C69 PolarHBondContact O-N 3.14Å; F66-C69 VanDerWaalsContact O-N 3.1Å; R67-C69 PolarHBondContact O-N 3.35Å; C69-V71 HydrophobicContact CB-CG2 3.94Å; C69-V71 PolarHBondContact O-N 3.38Å; C69-C197 PolarHBondContact SG-SG 3.26Å; C69-Y215 WeakPolarHBondContact CA-O 3.27Å; C69-Y215 WeakPolarHBondContact CB-O 3.3Å; C69-Y215 VanDerWaalsContact SG-C 3.58Å; C69-F216 VanDerWaalsContact SG-CA 3.56Å; C69-I217 HydrophobicContact CB-CG1 4.18Å
70H94.4Very high95.8Very high85 Ų8536.7 Ų36.739%0.39418%0.179SC..THydrogen-bonded Turntrans54.231.7-173.8-55.4-66.1000113.7N24 Q25 F66 R67N24-H70 WeakPolarHBondContact CA-O 3.33Å; N24-H70 HydrophobicContact CB-CB 4.25Å; N24-H70 PolarHBondContact N-O 2.81Å; Q25-H70 PolarHBondContact N-O 3.38Å; F66-H70 PolarHBondContact O-N 2.92Å; R67-H70 PolarHBondContact O-N 3.47Å; R67-H70 VanDerWaalsContact O-N 3.09Å
71V96.7Very high95.8Very high7 Ų737.2 Ų37.24%0.04218%0.181CC..EExtended strand (participates in β ladder)trans-84.8131.3171.7-179.20000108L22 Q25 L27 F66 C69 P73L22-V71 HydrophobicContact CD1-CG1 4.36Å; L22-V71 HydrophobicContact CD1-CG2 4.34Å; L22-V71 HydrophobicContact CD2-CG1 4.2Å; L22-V71 HydrophobicContact CD2-CG2 4.12Å; L22-V71 HydrophobicContact CG-CG1 4.28Å; L22-V71 HydrophobicContact CG-CG2 3.69Å; Q25-V71 WeakPolarHBondContact O-CA 3.22Å; L27-V71 HydrophobicContact CB-CG1 3.78Å; L27-V71 HydrophobicContact CD2-CG1 4.2Å; F66-V71 CarbonylContact C-O 3.58Å; F66-V71 HydrophobicContact CB-CB 3.95Å; F66-V71 HydrophobicContact CB-CG1 4.36Å; F66-V71 HydrophobicContact CD1-CB 4.02Å; F66-V71 HydrophobicContact CD1-CG1 3.9Å; F66-V71 HydrophobicContact CD1-CG2 4.49Å; F66-V71 HydrophobicContact CG-CB 4.3Å; F66-V71 HydrophobicContact CG-CG1 4.26Å; F66-V71 PolarHBondContact O-N 3.16Å; C69-V71 HydrophobicContact CB-CG2 3.94Å; C69-V71 PolarHBondContact O-N 3.38Å; V71-P73 VanDerWaalsContact O-CD 3.23Å; V71-P73 WeakPolarHBondContact O-CD 3.48Å
72D97.1Very high95.6Very high67 Ų6734.3 Ų34.336%0.35817%0.168SC..EExtended strand (participates in β ladder)trans-106.993.6-179.9-170.8-9.9000109.8Q25 P26 L27 R143Q25-D72 PolarHBondContact O-N 2.95Å; P26-D72 CarbonylContact C-O 3.47Å; P26-D72 VanDerWaalsContact CA-O 3.31Å; P26-D72 WeakPolarHBondContact CA-O 3.49Å; L27-D72 PolarHBondContact N-O 2.87Å; D72-R143 IonicContact OD1-CZ 2.69Å; D72-R143 IonicContact OD1-NE 3.99Å; D72-R143 IonicContact OD1-NH2 3.77Å; D72-R143 PolarHBondContact OD1-NH2 3.02Å; D72-R143 IonicContact OD2-CZ 3.42Å; D72-R143 IonicContact OD2-NE 3.77Å; D72-R143 IonicContact OD2-NH2 2.89Å; D72-R143 PolarHBondContact OD2-NH2 3.14Å
73P98.1Very high95.5Very high11 Ų1136.8 Ų36.87%0.07118%0.179CC..EExtended strand (participates in β ladder)trans-75.6136.5-174.531.4-35.6000111.6L27 I29 L63 F66 V71 F75 V142L27-P73 WeakPolarHBondContact O-CA 3.31Å; I29-P73 HydrophobicContact CD1-CB 3.61Å; L63-P73 HydrophobicContact CD2-CG 4.15Å; F66-P73 HydrophobicContact CB-CG 4.43Å; F66-P73 HydrophobicContact CD2-CB 3.92Å; F66-P73 HydrophobicContact CD2-CG 3.88Å; F66-P73 HydrophobicContact CE2-CB 4.19Å; F66-P73 HydrophobicContact CG-CG 4.48Å; V71-P73 VanDerWaalsContact O-CD 3.23Å; V71-P73 WeakPolarHBondContact O-CD 3.48Å; P73-F75 HydrophobicContact CB-CD2 4.41Å; P73-F75 HydrophobicContact CB-CE2 3.83Å; P73-F75 HydrophobicContact CG-CE2 4.3Å; P73-V142 HydrophobicContact CG-CG1 3.92Å; P73-V142 WeakPolarHBondContact O-CG1 3.31Å
74I98.6Very high95.2Very high0 Ų041.2 Ų41.20%020%0.199CC..EExtended strand (participates in β ladder)trans-124.3110.8178.5-57.7157.7000107.8P26 L27 V28 I29 R143 L158 L162 L332 F334P26-I74 HydrophobicContact CB-CD1 3.95Å; L27-I74 PolarHBondContact O-N 3.45Å; V28-I74 CarbonylContact C-O 3.51Å; V28-I74 WeakPolarHBondContact CA-O 3.42Å; I29-I74 PolarHBondContact N-O 2.98Å; I74-R143 WeakPolarHBondContact CA-O 3.25Å; I74-L158 HydrophobicContact CG2-CD2 4.13Å; I74-L162 HydrophobicContact CD1-CD1 3.72Å; I74-L332 HydrophobicContact CG2-CD1 3.6Å; I74-L332 HydrophobicContact CG2-CD2 4.24Å; I74-F334 HydrophobicContact CD1-CE2 3.8Å; I74-F334 HydrophobicContact CD1-CZ 3.55Å; I74-F334 HydrophobicContact CG1-CZ 4.48Å
75F98.7Very high94.9Very high0 Ų035.1 Ų35.10%018%0.175CC..EExtended strand (participates in β ladder)trans-90.7121.6-176.5-73.8-97.5000111.3I29 A31 F34 L63 P73 F77 L133 L137 V142 R143 Y144 I145I29-F75 HydrophobicContact CB-CD1 4.04Å; I29-F75 HydrophobicContact CB-CE1 4.15Å; I29-F75 HydrophobicContact CB-CG 4.4Å; I29-F75 HydrophobicContact CD1-CD2 4.42Å; I29-F75 HydrophobicContact CD1-CE1 3.96Å; I29-F75 HydrophobicContact CD1-CE2 3.86Å; I29-F75 HydrophobicContact CD1-CZ 3.61Å; I29-F75 HydrophobicContact CG2-CD1 3.85Å; I29-F75 HydrophobicContact CG2-CE1 3.69Å; I29-F75 HydrophobicContact CG2-CZ 4.41Å; A31-F75 HydrophobicContact CB-CB 4.02Å; A31-F75 HydrophobicContact CB-CD1 3.89Å; A31-F75 HydrophobicContact CB-CG 4.48Å; F34-F75 HydrophobicContact CB-CE1 4.33Å; F34-F75 HydrophobicContact CD1-CD1 4.45Å; F34-F75 AromaticContact CD1-CE1 3.48Å; F34-F75 HydrophobicContact CD1-CE1 3.48Å; F34-F75 VanDerWaalsContact CD1-CE1 3.48Å; F34-F75 HydrophobicContact CD1-CZ 4.21Å; F34-F75 HydrophobicContact CD2-CE1 4.15Å; F34-F75 AromaticContact CE1-CE1 3.64Å; F34-F75 HydrophobicContact CE1-CE1 3.64Å; F34-F75 AromaticContact CE1-CZ 3.9Å; F34-F75 HydrophobicContact CE1-CZ 3.9Å; F34-F75 HydrophobicContact CE2-CE1 4.33Å; F34-F75 HydrophobicContact CE2-CZ 4.39Å; F34-F75 AromaticContact CG-CE1 3.74Å; F34-F75 HydrophobicContact CG-CE1 3.74Å; F34-F75 HydrophobicContact CZ-CE1 4.09Å; F34-F75 HydrophobicContact CZ-CZ 4.01Å; L63-F75 HydrophobicContact CD2-CE2 4.16Å; L63-F75 HydrophobicContact CD2-CZ 4.41Å; P73-F75 HydrophobicContact CB-CD2 4.41Å; P73-F75 HydrophobicContact CB-CE2 3.83Å; P73-F75 HydrophobicContact CG-CE2 4.3Å; F75-F77 HydrophobicContact CB-CD2 4.48Å; F75-F77 HydrophobicContact CB-CE2 3.95Å; F75-L133 HydrophobicContact CD1-CD2 4.42Å; F75-L137 HydrophobicContact CB-CD1 3.73Å; F75-L137 HydrophobicContact CD1-CD1 4.02Å; F75-L137 HydrophobicContact CD2-CD1 3.77Å; F75-L137 HydrophobicContact CD2-CD2 3.52Å; F75-L137 HydrophobicContact CD2-CG 4.3Å; F75-L137 HydrophobicContact CE1-CD2 4.44Å; F75-L137 HydrophobicContact CE2-CD1 4.37Å; F75-L137 HydrophobicContact CE2-CD2 3.37Å; F75-L137 HydrophobicContact CG-CD1 3.56Å; F75-L137 HydrophobicContact CG-CD2 4.12Å; F75-L137 HydrophobicContact CZ-CD2 3.88Å; F75-V142 HydrophobicContact CD2-CG1 3.75Å; F75-V142 HydrophobicContact CE2-CG1 3.84Å; F75-R143 PolarHBondContact N-O 3.41Å; F75-Y144 CarbonylContact O-C 3.59Å; F75-Y144 WeakPolarHBondContact O-CA 3.45Å; F75-Y144 WeakPolarHBondContact O-CB 3.38Å; F75-I145 PolarHBondContact O-N 2.85Å
76V98.6Very high94.3Very high0 Ų033.9 Ų33.90%018%0.175CC..EExtended strand (participates in β ladder)trans-105.8120.6176.2-172.40000108.5V28 I29 A31 C147 A151 A155 L158V28-V76 HydrophobicContact CG1-CG2 3.72Å; I29-V76 PolarHBondContact O-N 3.34Å; A31-V76 VanDerWaalsContact CB-O 3.25Å; A31-V76 WeakPolarHBondContact CB-O 3.45Å; A31-V76 PolarHBondContact N-O 3.45Å; V76-C147 VanDerWaalsContact CG1-SG 3.56Å; V76-A151 HydrophobicContact CG1-CB 3.9Å; V76-A155 HydrophobicContact CB-CB 4.14Å; V76-A155 HydrophobicContact CG1-CB 4.29Å; V76-A155 HydrophobicContact CG2-CB 4.29Å; V76-L158 HydrophobicContact CG2-CD2 3.85Å
77F98.2Very high93.8Very high0 Ų035.4 Ų35.40%018%0.182CC..EExtended strand (participates in β ladder)trans-103.7142.6179.3-72.7-94.5000110.9A31 F75 R130 L133 V134 L137 Y144 I145 A146 C147 L401A31-F77 HydrophobicContact CB-CD1 3.54Å; A31-F77 HydrophobicContact CB-CD2 3.64Å; A31-F77 HydrophobicContact CB-CE1 3.5Å; A31-F77 HydrophobicContact CB-CE2 3.59Å; A31-F77 HydrophobicContact CB-CG 3.62Å; A31-F77 HydrophobicContact CB-CZ 3.53Å; F75-F77 HydrophobicContact CB-CD2 4.48Å; F75-F77 HydrophobicContact CB-CE2 3.95Å; F77-R130 HydrophobicContact CD1-CG 4.14Å; F77-R130 HydrophobicContact CE1-CG 4.02Å; F77-L133 HydrophobicContact CE1-CD2 4.11Å; F77-L133 HydrophobicContact CZ-CD2 3.85Å; F77-L133 HydrophobicContact CZ-CG 4.05Å; F77-V134 HydrophobicContact CE1-CG2 4.01Å; F77-V134 HydrophobicContact CE2-CG2 4.18Å; F77-V134 HydrophobicContact CZ-CG2 3.7Å; F77-L137 HydrophobicContact CE2-CD1 3.88Å; F77-L137 HydrophobicContact CZ-CD1 3.97Å; F77-Y144 HydrophobicContact CD2-CD2 4.38Å; F77-Y144 HydrophobicContact CE2-CD2 4.15Å; F77-Y144 HydrophobicContact CE2-CG 4.3Å; F77-I145 PolarHBondContact N-O 2.93Å; F77-A146 HydrophobicContact CB-CB 4.33Å; F77-A146 WeakPolarHBondContact O-CA 3.42Å; F77-C147 PolarHBondContact O-N 3.48Å; F77-L401 HydrophobicContact CB-CD1 3.72Å; F77-L401 HydrophobicContact CD1-CD1 3.75Å; F77-L401 HydrophobicContact CD2-CD1 3.73Å; F77-L401 HydrophobicContact CE1-CD1 4.25Å; F77-L401 HydrophobicContact CE2-CD1 4.22Å; F77-L401 HydrophobicContact CG-CD1 3.46Å; F77-L401 VanDerWaalsContact CG-CD1 3.46Å; F77-L401 HydrophobicContact CZ-CD1 4.45Å
78G94.7Very high93.5Very high15 Ų1528.8 Ų28.816%0.15516%0.159CC..  trans-64.6143.1166.800000112R130G78-R130 PolarHBondContact O-NH1 3.35Å; G78-R130 PolarHBondContact O-NH2 3.04Å
79G95.6Very high93.2Very high15 Ų1532.1 Ų32.116%0.15518%0.175CC..  trans-88.6-134.4167.300000112.1C147 R149 P405G79-C147 WeakPolarHBondContact CA-O 3.44Å; G79-C147 PolarHBondContact N-O 3.32Å; G79-R149 WeakPolarHBondContact CA-O 2.88Å; G79-R149 PolarHBondContact N-O 3.13Å; G79-P405 WeakPolarHBondContact O-CB 3.38Å
80C95Very high92.8Very high2 Ų233.1 Ų33.11%0.01418%0.181CC..SBendtrans-69.6160174.6-58.70000110.4E148 R149 I386 D409 V413C80-E148 PolarHBondContact N-O 3.39Å; C80-R149 CarbonylContact O-C 3.6Å; C80-R149 WeakPolarHBondContact O-CA 3.05Å; C80-I386 HydrophobicContact CB-CD1 4.01Å; C80-D409 VanDerWaalsContact CA-OD1 3.26Å; C80-D409 WeakPolarHBondContact CA-OD1 3.26Å; C80-D409 VanDerWaalsContact CB-OD1 3.3Å; C80-D409 WeakPolarHBondContact CB-OD1 3.3Å; C80-V413 HydrophobicContact CB-CG2 4.43Å
81H92.5Very high92.6Very high52 Ų5230.5 Ų30.524%0.24117%0.17CC..PPolyproline II helixtrans-64.1168.3170-6591000111.2R149 D409 V413H81-R149 WeakPolarHBondContact O-CD 3.19Å; H81-R149 PolarHBondContact O-NH1 2.9Å; H81-D409 IonicContact CE1-OD2 3.72Å; H81-D409 PolarHBondContact CE1-OD2 3.08Å; H81-D409 IonicContact CG-OD2 2.7Å; H81-D409 PolarHBondContact N-OD1 3.39Å; H81-D409 IonicContact ND1-OD1 3.81Å; H81-D409 IonicContact ND1-OD2 3.72Å; H81-D409 PolarHBondContact ND1-OD2 3.28Å; H81-V413 HydrophobicContact CB-CG1 4.28Å; H81-V413 HydrophobicContact CB-CG2 3.97Å; H81-V413 WeakPolarHBondContact O-CG2 3.34Å
82S89.7Confident92.4Very high25 Ų2532.4 Ų32.418%0.17518%0.179CC..PPolyproline II helixtrans-50.4141.3175.971.80000111.8E84 G85 S86 E150 V413S82-E84 PolarHBondContact O-N 3.04Å; S82-E84 VanDerWaalsContact O-N 3.15Å; S82-G85 PolarHBondContact O-N 2.83Å; S82-S86 PolarHBondContact OG-N 3.02Å; S82-S86 VanDerWaalsContact OG-N 3.11Å; S82-S86 PolarHBondContact OG-OG 2.89Å; S82-E150 PolarHBondContact N-OE1 3.4Å; S82-V413 WeakPolarHBondContact O-CG1 3.32Å
83K91.5Very high92.1Very high56 Ų5634.6 Ų34.624%0.24319%0.186CC..THydrogen-bonded Turntrans-50.8-41.5-178.8-175.9-178.2179.7176.90112.1G85 D384 R414 C461K83-G85 VanDerWaalsContact C-N 3.27Å; K83-G85 PolarHBondContact O-N 3.41Å; K83-D384 IonicContact NZ-OD1 3.71Å; K83-D384 PolarHBondContact NZ-OD1 2.99Å; K83-R414 WeakPolarHBondContact O-CG 3.32Å; K83-R414 PolarHBondContact O-N 3.13Å; K83-C461 HydrophobicContact CG-CB 4.5Å
84E88.7Confident91.7Very high102 Ų10237.1 Ų37.148%0.47719%0.194SC..THydrogen-bonded Turntrans-77.9-6.5-177.5-55.6-51.5138.300114.1S82 S86 R414S82-E84 PolarHBondContact O-N 3.04Å; S82-E84 VanDerWaalsContact O-N 3.15Å; E84-S86 VanDerWaalsContact C-N 3.35Å; E84-R414 IonicContact OE1-NE 2.75Å; E84-R414 WeakPolarHBondContact OE2-CD 3.39Å; E84-R414 IonicContact OE2-CZ 2.66Å; E84-R414 IonicContact OE2-NE 3.31Å; E84-R414 PolarHBondContact OE2-NE 2.64Å; E84-R414 IonicContact OE2-NH2 3.05Å
85G88.5Confident91.4Very high9 Ų937.7 Ų37.79%0.09320%0.196CC..  trans70.429.7-179.800000113.5S82 K83 K87 L88S82-G85 PolarHBondContact O-N 2.83Å; K83-G85 VanDerWaalsContact C-N 3.27Å; K83-G85 PolarHBondContact O-N 3.41Å; G85-K87 PolarHBondContact O-N 2.97Å; G85-K87 VanDerWaalsContact O-N 3.1Å; G85-L88 VanDerWaalsContact O-CB 3.28Å; G85-L88 WeakPolarHBondContact O-CB 3.3Å; G85-L88 PolarHBondContact O-N 2.91Å
86S83.2Confident91.1Very high40 Ų4040 Ų4028%0.2821%0.208SC..THydrogen-bonded Turntrans-59.4-24.4-175.1580000114S82 E84 L88S82-S86 PolarHBondContact OG-N 3.02Å; S82-S86 VanDerWaalsContact OG-N 3.11Å; S82-S86 PolarHBondContact OG-OG 2.89Å; E84-S86 VanDerWaalsContact C-N 3.35Å; S86-L88 VanDerWaalsContact C-N 3.33Å; S86-L88 PolarHBondContact O-N 3.28Å
87K84.5Confident90.9Very high34 Ų3443.8 Ų43.815%0.14823%0.226CC..THydrogen-bonded Turntrans-83.20.6177.5-76.6-174.5169.11600114.7G85 D89 T90 L91 E150G85-K87 PolarHBondContact O-N 2.97Å; G85-K87 VanDerWaalsContact O-N 3.1Å; K87-D89 PolarHBondContact O-N 2.66Å; K87-T90 WeakPolarHBondContact O-CB 3.37Å; K87-T90 PolarHBondContact O-N 3.37Å; K87-L91 HydrophobicContact CB-CD1 4.46Å; K87-L91 HydrophobicContact CB-CG 4.42Å; K87-L91 WeakPolarHBondContact O-CG 3.5Å; K87-L91 PolarHBondContact O-N 2.95Å; K87-E150 VanDerWaalsContact CD-OE1 3.3Å; K87-E150 WeakPolarHBondContact CD-OE1 3.43Å; K87-E150 WeakPolarHBondContact CE-OE1 3.3Å; K87-E150 WeakPolarHBondContact CE-OE2 3.49Å; K87-E150 IonicContact NZ-OE1 2.59Å; K87-E150 PolarHBondContact NZ-OE1 2.68Å; K87-E150 IonicContact NZ-OE2 4Å; K87-E150 PolarHBondContact NZ-OE2 2.96Å
88L90.3Very high90.6Very high31 Ų3145.2 Ų45.216%0.16223%0.234CC..Hα-helixtrans-51.7-55.5-174.6174.860.4000112.7G85 S86 T90 L91 L92 N415 V418 Y471G85-L88 VanDerWaalsContact O-CB 3.28Å; G85-L88 WeakPolarHBondContact O-CB 3.3Å; G85-L88 PolarHBondContact O-N 2.91Å; S86-L88 VanDerWaalsContact C-N 3.33Å; S86-L88 PolarHBondContact O-N 3.28Å; L88-T90 VanDerWaalsContact C-N 3.25Å; L88-T90 PolarHBondContact O-N 3.49Å; L88-L91 WeakPolarHBondContact O-CB 3.34Å; L88-L91 PolarHBondContact O-N 3.41Å; L88-L92 HydrophobicContact CD1-CD1 3.96Å; L88-L92 HydrophobicContact CD1-CD2 4.32Å; L88-L92 HydrophobicContact CD1-CG 3.93Å; L88-L92 HydrophobicContact CG-CD1 4.02Å; L88-L92 HydrophobicContact CG-CG 4.37Å; L88-L92 WeakPolarHBondContact O-CG 3.45Å; L88-L92 PolarHBondContact O-N 3.4Å; L88-N415 HydrophobicContact CD2-CB 3.91Å; L88-V418 HydrophobicContact CD1-CG2 3.5Å; L88-Y471 HydrophobicContact CD1-CE1 4.27Å; L88-Y471 HydrophobicContact CD1-CE2 3.67Å; L88-Y471 WeakPolarHBondContact CD1-OH 3.38Å; L88-Y471 VanDerWaalsContact CD2-OH 3.31Å; L88-Y471 WeakPolarHBondContact CD2-OH 3.31Å
89D87.5Confident90.5Very high124 Ų12444.9 Ų44.966%0.66323%0.228SC*.Hα-helixtrans-59.8-39.9-177.8-71.9-19.9000112K87 L92 K93K87-D89 PolarHBondContact O-N 2.66Å; D89-L92 PolarHBondContact O-N 3.14Å; D89-K93 VanDerWaalsContact O-CB 3.26Å; D89-K93 WeakPolarHBondContact O-CB 3.33Å; D89-K93 PolarHBondContact O-N 3.05Å
90T86.4Confident90.4Very high20 Ų2048.1 Ų48.112%0.12324%0.242CC..Hα-helixtrans-63-43.2175.8-71.40000111.5K87 L88 R94 D246K87-T90 WeakPolarHBondContact O-CB 3.37Å; K87-T90 PolarHBondContact O-N 3.37Å; L88-T90 VanDerWaalsContact C-N 3.25Å; L88-T90 PolarHBondContact O-N 3.49Å; T90-R94 WeakPolarHBondContact O-CB 3.47Å; T90-R94 WeakPolarHBondContact O-CG 3.46Å; T90-R94 PolarHBondContact O-N 3.01Å; T90-D246 HydrophobicContact CG2-CB 4.48Å; T90-D246 PolarHBondContact OG1-O 3.28Å; T90-D246 VanDerWaalsContact OG1-O 3.14Å
91L90.9Very high90.3Very high31 Ų3152.4 Ų52.416%0.16226%0.261CS..Hα-helixtrans-66.2-42176.6-68.2171.9000112K87 L88 N95 V418K87-L91 HydrophobicContact CB-CD1 4.46Å; K87-L91 HydrophobicContact CB-CG 4.42Å; K87-L91 WeakPolarHBondContact O-CG 3.5Å; K87-L91 PolarHBondContact O-N 2.95Å; L88-L91 WeakPolarHBondContact O-CB 3.34Å; L88-L91 PolarHBondContact O-N 3.41Å; L91-N95 WeakPolarHBondContact O-CB 3.44Å; L91-N95 PolarHBondContact O-N 2.81Å; L91-N95 PolarHBondContact O-ND2 3.04Å; L91-V418 HydrophobicContact CB-CB 3.89Å; L91-V418 HydrophobicContact CB-CG1 4.05Å; L91-V418 HydrophobicContact CB-CG2 3.87Å; L91-V418 HydrophobicContact CD1-CB 4.16Å; L91-V418 HydrophobicContact CD1-CG2 4.05Å
92L92.6Very high90.3Very high46 Ų4650 Ų5024%0.24125%0.249CC..Hα-helixtrans-62.9-46.3176.5-66.3177.6000111.1L88 D89 N95 L96 V418 Y471 L479L88-L92 HydrophobicContact CD1-CD1 3.96Å; L88-L92 HydrophobicContact CD1-CD2 4.32Å; L88-L92 HydrophobicContact CD1-CG 3.93Å; L88-L92 HydrophobicContact CG-CD1 4.02Å; L88-L92 HydrophobicContact CG-CG 4.37Å; L88-L92 WeakPolarHBondContact O-CG 3.45Å; L88-L92 PolarHBondContact O-N 3.4Å; D89-L92 PolarHBondContact O-N 3.14Å; L92-N95 WeakPolarHBondContact O-CB 3.22Å; L92-N95 PolarHBondContact O-N 3.26Å; L92-L96 PolarHBondContact O-N 2.9Å; L92-V418 HydrophobicContact CD2-CG1 4.05Å; L92-V418 HydrophobicContact CD2-CG2 4.25Å; L92-Y471 HydrophobicContact CD2-CD1 3.87Å; L92-Y471 HydrophobicContact CD2-CE1 4.13Å; L92-Y471 HydrophobicContact CD2-CG 4.31Å; L92-L479 HydrophobicContact CD2-CB 3.82Å; L92-L479 HydrophobicContact CD2-CD1 3.73Å; L92-L479 HydrophobicContact CD2-CG 4.42Å
93K89.9Confident90.4Very high114 Ų11450 Ų5050%0.49625%0.249SC..Hα-helixtrans-62.4-47.9177.4-177.9179.8176.7-178.40112.3D89 N95 L96 E97D89-K93 VanDerWaalsContact O-CB 3.26Å; D89-K93 WeakPolarHBondContact O-CB 3.33Å; D89-K93 PolarHBondContact O-N 3.05Å; K93-N95 VanDerWaalsContact C-N 3.26Å; K93-N95 PolarHBondContact O-N 3.42Å; K93-L96 PolarHBondContact O-N 3.34Å; K93-E97 WeakPolarHBondContact CE-OE1 3.34Å; K93-E97 WeakPolarHBondContact O-CG 3.38Å; K93-E97 PolarHBondContact O-N 3.13Å
94R89.8Confident90.4Very high64 Ų6449.5 Ų49.524%0.24225%0.253CS..Hα-helixtrans-60.1-38.3177.3-74.4173.2-167.7177.47.1111.4M1 T90 N98 D246M1-R94 HydrophobicContact CE-CG 3.9Å; T90-R94 WeakPolarHBondContact O-CB 3.47Å; T90-R94 WeakPolarHBondContact O-CG 3.46Å; T90-R94 PolarHBondContact O-N 3.01Å; R94-N98 WeakPolarHBondContact O-CB 3.22Å; R94-N98 VanDerWaalsContact O-CG 3.28Å; R94-N98 PolarHBondContact O-N 3.25Å; R94-N98 PolarHBondContact O-ND2 3.22Å; R94-D246 IonicContact CZ-OD2 2.95Å; R94-D246 IonicContact NH2-OD1 3.64Å; R94-D246 PolarHBondContact NH2-OD1 2.94Å; R94-D246 IonicContact NH2-OD2 2.72Å; R94-D246 PolarHBondContact NH2-OD2 3.19Å
95N92.9Very high90.4Very high11 Ų1145.1 Ų45.16%0.05923%0.234CC..Hα-helixtrans-62.4-48.9174.4-93.1-72.4000112L91 L92 K93 E97 N98 F99 V418 P419 Q421 L479L91-N95 WeakPolarHBondContact O-CB 3.44Å; L91-N95 PolarHBondContact O-N 2.81Å; L91-N95 PolarHBondContact O-ND2 3.04Å; L92-N95 WeakPolarHBondContact O-CB 3.22Å; L92-N95 PolarHBondContact O-N 3.26Å; K93-N95 VanDerWaalsContact C-N 3.26Å; K93-N95 PolarHBondContact O-N 3.42Å; N95-E97 PolarHBondContact O-N 3.23Å; N95-N98 PolarHBondContact O-N 3.33Å; N95-F99 WeakPolarHBondContact O-CB 3.5Å; N95-F99 PolarHBondContact O-N 3.18Å; N95-V418 WeakPolarHBondContact ND2-CG1 3.29Å; N95-P419 PolarHBondContact ND2-O 3.4Å; N95-P419 PolarHBondContact OD1-O 3.08Å; N95-Q421 WeakPolarHBondContact OD1-CB 3.4Å; N95-Q421 PolarHBondContact OD1-N 3.34Å; N95-L479 HydrophobicContact CB-CD1 3.78Å
96L93.1Very high90.5Very high48 Ų4845.7 Ų45.725%0.25124%0.235SC..Hα-helixtrans-62.2-41.4178-177.160.4000112.2L92 K93 F99 N100L92-L96 PolarHBondContact O-N 2.9Å; K93-L96 PolarHBondContact O-N 3.34Å; L96-F99 PolarHBondContact O-N 3.01Å; L96-N100 WeakPolarHBondContact O-CB 3.42Å; L96-N100 VanDerWaalsContact O-CG 3.26Å; L96-N100 PolarHBondContact O-N 2.9Å; L96-N100 PolarHBondContact O-ND2 3.35Å
97E92.6Very high90.6Very high80 Ų8051.7 Ų51.737%0.37425%0.251SS..Hα-helixtrans-61.1-46.3175.3-73.9175.4-176.900111.8K93 N95 N100 K101K93-E97 WeakPolarHBondContact CE-OE1 3.34Å; K93-E97 WeakPolarHBondContact O-CG 3.38Å; K93-E97 PolarHBondContact O-N 3.13Å; N95-E97 PolarHBondContact O-N 3.23Å; E97-N100 PolarHBondContact O-N 3.33Å; E97-K101 WeakPolarHBondContact O-CG 3.34Å; E97-K101 PolarHBondContact O-N 3.43Å
98N93.1Very high90.5Very high30 Ų3054.5 Ų54.516%0.1627%0.268CS..Hα-helixtrans-67.8-37177.7-71.9-23.3000112.2R94 N95 K101 L102 I124 Q421R94-N98 WeakPolarHBondContact O-CB 3.22Å; R94-N98 VanDerWaalsContact O-CG 3.28Å; R94-N98 PolarHBondContact O-N 3.25Å; R94-N98 PolarHBondContact O-ND2 3.22Å; N95-N98 PolarHBondContact O-N 3.33Å; N98-K101 PolarHBondContact O-N 3.31Å; N98-L102 WeakPolarHBondContact O-CB 3.42Å; N98-L102 PolarHBondContact O-N 3.11Å; N98-I124 HydrophobicContact CB-CD1 4.19Å; N98-I124 HydrophobicContact CB-CG1 4.31Å; N98-Q421 HydrophobicContact CB-CB 3.79Å; N98-Q421 HydrophobicContact CB-CG 3.66Å
99F93.4Very high89.9Confident9 Ų953.5 Ų53.54%0.03926%0.263CS..Hα-helixtrans-59.8-47.2172.5176.8-87.6000110.9N95 L96 K101 L102 S103 I426 K473 G477N95-F99 WeakPolarHBondContact O-CB 3.5Å; N95-F99 PolarHBondContact O-N 3.18Å; L96-F99 PolarHBondContact O-N 3.01Å; F99-K101 PolarHBondContact O-N 3.26Å; F99-L102 PolarHBondContact O-N 3.08Å; F99-S103 VanDerWaalsContact O-CB 3.26Å; F99-S103 WeakPolarHBondContact O-CB 3.45Å; F99-S103 PolarHBondContact O-N 3.14Å; F99-I426 HydrophobicContact CD2-CB 4.36Å; F99-I426 HydrophobicContact CD2-CG2 3.9Å; F99-I426 HydrophobicContact CE2-CB 3.67Å; F99-I426 HydrophobicContact CE2-CD1 4.26Å; F99-I426 HydrophobicContact CE2-CG2 3.74Å; F99-I426 HydrophobicContact CZ-CB 4.29Å; F99-I426 HydrophobicContact CZ-CD1 4.18Å; F99-K473 HydrophobicContact CD2-CD 4.03Å; F99-K473 HydrophobicContact CE2-CD 4.15Å; F99-G477 VanDerWaalsContact CD1-CA 3.48Å; F99-G477 VanDerWaalsContact CE1-CA 3.48Å
100N92.8Very high89Confident82 Ų8253.7 Ų53.744%0.43926%0.264SS..Hα-helixtrans-63.2-42.5179.5-74.2-29.7000112L96 E97 S103 S104L96-N100 WeakPolarHBondContact O-CB 3.42Å; L96-N100 VanDerWaalsContact O-CG 3.26Å; L96-N100 PolarHBondContact O-N 2.9Å; L96-N100 PolarHBondContact O-ND2 3.35Å; E97-N100 PolarHBondContact O-N 3.33Å; N100-S103 PolarHBondContact O-N 2.68Å; N100-S104 PolarHBondContact O-N 3.18Å; N100-S104 PolarHBondContact O-OG 3.21Å
101K91.8Very high88.1Confident93 Ų9357.2 Ų57.240%0.40429%0.29SS..Hα-helixtrans-59.4-45173.7-71.8172.3-173.11730112.1E97 N98 F99 S104 A105E97-K101 WeakPolarHBondContact O-CG 3.34Å; E97-K101 PolarHBondContact O-N 3.43Å; N98-K101 PolarHBondContact O-N 3.31Å; F99-K101 PolarHBondContact O-N 3.26Å; K101-S104 PolarHBondContact O-OG 2.9Å; K101-A105 WeakPolarHBondContact O-CB 3.38Å; K101-A105 PolarHBondContact O-N 2.94Å
102L93.2Very high86.9Confident0 Ų059.1 Ų59.10%030%0.299CS..Hα-helixtrans-66-44.6177.6-179.457.6000111.1N98 F99 S104 A105 L106 I122 I124 V423 I426N98-L102 WeakPolarHBondContact O-CB 3.42Å; N98-L102 PolarHBondContact O-N 3.11Å; F99-L102 PolarHBondContact O-N 3.08Å; L102-S104 PolarHBondContact O-N 3.37Å; L102-A105 PolarHBondContact O-N 3.09Å; L102-L106 HydrophobicContact CD1-CD1 3.98Å; L102-L106 HydrophobicContact CD1-CG 3.98Å; L102-L106 HydrophobicContact CG-CD1 3.96Å; L102-L106 HydrophobicContact CG-CG 4.37Å; L102-L106 WeakPolarHBondContact O-CB 3.3Å; L102-L106 VanDerWaalsContact O-CG 3.27Å; L102-L106 WeakPolarHBondContact O-CG 3.35Å; L102-L106 PolarHBondContact O-N 2.84Å; L102-I122 HydrophobicContact CD1-CD1 3.99Å; L102-I124 HydrophobicContact CB-CD1 3.96Å; L102-V423 HydrophobicContact CD1-CG1 4.03Å; L102-I426 HydrophobicContact CD2-CG2 3.66Å; L102-I426 HydrophobicContact CG-CG2 4.25Å
103S92.3Very high85.1Confident26 Ų2662.5 Ų62.518%0.18233%0.327CS..Hα-helixtrans-63.1-39.2178.5-179.90000113F99 N100 R107F99-S103 VanDerWaalsContact O-CB 3.26Å; F99-S103 WeakPolarHBondContact O-CB 3.45Å; F99-S103 PolarHBondContact O-N 3.14Å; N100-S103 PolarHBondContact O-N 2.68Å; S103-R107 WeakPolarHBondContact O-CG 3.38Å; S103-R107 PolarHBondContact O-N 3.14Å; S103-R107 PolarHBondContact O-NE 3.03Å; S103-R107 VanDerWaalsContact O-NE 3.15Å
104S90.8Very high83.5Confident46 Ų4661.2 Ų61.232%0.32233%0.326SS..Hα-helixtrans-65.8-50.4171.957.60000111.1N100 K101 L102 L106 R107 D108N100-S104 PolarHBondContact O-N 3.18Å; N100-S104 PolarHBondContact O-OG 3.21Å; K101-S104 PolarHBondContact O-OG 2.9Å; L102-S104 PolarHBondContact O-N 3.37Å; S104-L106 VanDerWaalsContact C-N 3.33Å; S104-L106 PolarHBondContact O-N 3.08Å; S104-R107 WeakPolarHBondContact O-CB 3.33Å; S104-R107 PolarHBondContact O-N 2.95Å; S104-D108 PolarHBondContact O-N 2.86Å
105A89.4Confident82Confident9 Ų958.5 Ų58.57%0.07432%0.316CS..Hα-helixtrans-57-46-179.200000111.8K101 L102 R107 D108 V109 I122K101-A105 WeakPolarHBondContact O-CB 3.38Å; K101-A105 PolarHBondContact O-N 2.94Å; L102-A105 PolarHBondContact O-N 3.09Å; A105-R107 VanDerWaalsContact C-N 3.33Å; A105-R107 PolarHBondContact O-N 2.66Å; A105-D108 PolarHBondContact O-N 2.75Å; A105-V109 WeakPolarHBondContact O-CG2 3.26Å; A105-V109 PolarHBondContact O-N 2.78Å; A105-V109 VanDerWaalsContact O-N 3.08Å; A105-I122 HydrophobicContact CB-CD1 3.93Å; A105-I122 HydrophobicContact CB-CG1 3.57Å
106L89.3Confident80.1Confident22 Ų2263.9 Ų63.912%0.11535%0.345CS..Hα-helixtrans-64.1-32.6178.1-70.1177.4000113.5L102 S104 N110 I426 F605 I607L102-L106 HydrophobicContact CD1-CD1 3.98Å; L102-L106 HydrophobicContact CD1-CG 3.98Å; L102-L106 HydrophobicContact CG-CD1 3.96Å; L102-L106 HydrophobicContact CG-CG 4.37Å; L102-L106 WeakPolarHBondContact O-CB 3.3Å; L102-L106 VanDerWaalsContact O-CG 3.27Å; L102-L106 WeakPolarHBondContact O-CG 3.35Å; L102-L106 PolarHBondContact O-N 2.84Å; S104-L106 VanDerWaalsContact C-N 3.33Å; S104-L106 PolarHBondContact O-N 3.08Å; L106-N110 PolarHBondContact O-ND2 3.22Å; L106-I426 HydrophobicContact CD1-CD1 4.16Å; L106-I426 HydrophobicContact CD1-CG1 4.06Å; L106-F605 HydrophobicContact CD2-CD1 4Å; L106-F605 HydrophobicContact CD2-CE1 3.83Å; L106-I607 HydrophobicContact CD1-CD1 4.45Å; L106-I607 HydrophobicContact CD1-CG1 4.13Å; L106-I607 HydrophobicContact CD2-CB 4.12Å; L106-I607 HydrophobicContact CD2-CD1 4.17Å; L106-I607 HydrophobicContact CD2-CG1 4.2Å
107R86.7Confident78.2Confident165 Ų16566.6 Ų66.662%0.62337%0.367SS*.Hα-helixtrans-68.5-43.6173.7-79.4-178.3-73.4162.1-2.3111.1S103 S104 A105 V109 N110S103-R107 WeakPolarHBondContact O-CG 3.38Å; S103-R107 PolarHBondContact O-N 3.14Å; S103-R107 PolarHBondContact O-NE 3.03Å; S103-R107 VanDerWaalsContact O-NE 3.15Å; S104-R107 WeakPolarHBondContact O-CB 3.33Å; S104-R107 PolarHBondContact O-N 2.95Å; A105-R107 VanDerWaalsContact C-N 3.33Å; A105-R107 PolarHBondContact O-N 2.66Å; R107-V109 VanDerWaalsContact C-N 3.32Å; R107-V109 PolarHBondContact O-N 3.09Å; R107-N110 PolarHBondContact O-N 3.2Å
108D82Confident76.5Confident93 Ų9364.3 Ų64.350%0.49736%0.358SS..Hα-helixtrans-63.4-38.5-179.6-61.9-21.6000111.2S104 A105 N110 S111 I112S104-D108 PolarHBondContact O-N 2.86Å; A105-D108 PolarHBondContact O-N 2.75Å; D108-N110 VanDerWaalsContact C-N 3.3Å; D108-N110 PolarHBondContact O-N 3.34Å; D108-S111 WeakPolarHBondContact O-CB 3.43Å; D108-S111 PolarHBondContact O-N 2.8Å; D108-S111 PolarHBondContact O-OG 3.37Å; D108-I112 WeakPolarHBondContact O-CG1 3.49Å
109V77.6Confident75.1Confident11 Ų1167.7 Ų67.77%0.06738%0.376CS..Hα-helixtrans-59.1-40.6177.7-166.60000113A105 R107 S111 I112 L115 L118 L120 F605A105-V109 WeakPolarHBondContact O-CG2 3.26Å; A105-V109 PolarHBondContact O-N 2.78Å; A105-V109 VanDerWaalsContact O-N 3.08Å; R107-V109 VanDerWaalsContact C-N 3.32Å; R107-V109 PolarHBondContact O-N 3.09Å; V109-S111 PolarHBondContact O-N 3.01Å; V109-S111 VanDerWaalsContact O-N 3.12Å; V109-I112 PolarHBondContact O-N 2.99Å; V109-I112 VanDerWaalsContact O-N 3.09Å; V109-L115 HydrophobicContact CG1-CD1 4.48Å; V109-L118 HydrophobicContact CB-CD2 4.38Å; V109-L118 HydrophobicContact CG1-CD2 3.58Å; V109-L118 HydrophobicContact CG2-CD2 4.27Å; V109-L120 HydrophobicContact CB-CD2 4.33Å; V109-L120 HydrophobicContact CG2-CD1 4.28Å; V109-L120 HydrophobicContact CG2-CD2 3.13Å; V109-L120 HydrophobicContact CG2-CG 4.37Å; V109-F605 HydrophobicContact CG1-CB 3.55Å
110N69Low74Confident128 Ų12868 Ų6868%0.68438%0.378SS*.THydrogen-bonded Turntrans-66-14.9-178.7-70.5-46.7000112.5L106 R107 D108L106-N110 PolarHBondContact O-ND2 3.22Å; R107-N110 PolarHBondContact O-N 3.2Å; D108-N110 VanDerWaalsContact C-N 3.3Å; D108-N110 PolarHBondContact O-N 3.34Å
111S66.3Low73Confident94 Ų9470.2 Ų70.266%0.65739%0.389SS*.THydrogen-bonded Turntrans-92.7-11.5176.474.80000114.1D108 V109D108-S111 WeakPolarHBondContact O-CB 3.43Å; D108-S111 PolarHBondContact O-N 2.8Å; D108-S111 PolarHBondContact O-OG 3.37Å; V109-S111 PolarHBondContact O-N 3.01Å; V109-S111 VanDerWaalsContact O-N 3.12Å
112I65.3Low72.6Confident70 Ų7066.1 Ų66.136%0.35937%0.372SS..  trans-97.6123.1-170.3-66.5166.7000110.7D108 V109 N114 L118D108-I112 WeakPolarHBondContact O-CG1 3.49Å; V109-I112 PolarHBondContact O-N 2.99Å; V109-I112 VanDerWaalsContact O-N 3.09Å; I112-N114 WeakPolarHBondContact CG2-O 3.47Å; I112-L118 HydrophobicContact CD1-CD1 3.23Å; I112-L118 HydrophobicContact CG1-CD1 4.42Å; I112-L118 HydrophobicContact CG2-CD1 4.33Å
113S55.8Low72.2Confident117 Ų11769.5 Ų69.582%0.81839%0.39SS*.SBendtrans-82.9-15.2178.856.80000114.3
114N56.8Low72.2Confident88 Ų8868.4 Ų68.447%0.47138%0.382SS..  trans-129.1105.9-173.9-169.1-8.4000112.6I112 N116I112-N114 WeakPolarHBondContact CG2-O 3.47Å; N114-N116 VanDerWaalsContact C-N 3.33Å; N114-N116 PolarHBondContact O-N 2.81Å; N114-N116 PolarHBondContact OD1-N 2.91Å
115L56.9Low72.2Confident7 Ų767.2 Ų67.24%0.03737%0.373CS..G310 helixtrans-83.81.8-176-145.991.5000114.5V109 S117 L118 K594 P603 W671V109-L115 HydrophobicContact CG1-CD1 4.48Å; L115-S117 VanDerWaalsContact C-N 3.27Å; L115-S117 PolarHBondContact O-N 3.42Å; L115-L118 HydrophobicContact CD1-CD2 3.61Å; L115-L118 HydrophobicContact CG-CB 4.4Å; L115-L118 HydrophobicContact CG-CD2 4.25Å; L115-K594 PolarHBondContact O-NZ 3.48Å; L115-P603 HydrophobicContact CB-CB 3.52Å; L115-P603 HydrophobicContact CB-CG 3.74Å; L115-P603 WeakPolarHBondContact CD1-O 3.23Å; L115-P603 HydrophobicContact CD2-CB 3.89Å; L115-P603 HydrophobicContact CG-CB 4.24Å; L115-W671 HydrophobicContact CD2-CH2 3.46Å; L115-W671 VanDerWaalsContact CD2-CH2 3.46Å; L115-W671 HydrophobicContact CD2-CZ2 3.74Å
116N53.6Low72.5Confident124 Ų12467 Ų6766%0.66337%0.371SS*.G310 helixtrans-72.2-20.3-176.6-80.8-21.4000113.7N114N114-N116 VanDerWaalsContact C-N 3.33Å; N114-N116 PolarHBondContact O-N 2.81Å; N114-N116 PolarHBondContact OD1-N 2.91Å
117S52.7Low72.7Confident104 Ų10469.2 Ų69.273%0.72738%0.378SS*.G310 helixtrans-123.517.4-178.758.70000113.7L115 D119L115-S117 VanDerWaalsContact C-N 3.27Å; L115-S117 PolarHBondContact O-N 3.42Å; S117-D119 PolarHBondContact O-N 3.25Å
118L57.7Low73.2Confident33 Ų3361.4 Ų61.417%0.17335%0.348CS..  trans-78.487.5-177.9-16470.8000110.1V109 I112 L115 L120V109-L118 HydrophobicContact CB-CD2 4.38Å; V109-L118 HydrophobicContact CG1-CD2 3.58Å; V109-L118 HydrophobicContact CG2-CD2 4.27Å; I112-L118 HydrophobicContact CD1-CD1 3.23Å; I112-L118 HydrophobicContact CG1-CD1 4.42Å; I112-L118 HydrophobicContact CG2-CD1 4.33Å; L115-L118 HydrophobicContact CD1-CD2 3.61Å; L115-L118 HydrophobicContact CG-CB 4.4Å; L115-L118 HydrophobicContact CG-CD2 4.25Å; L118-L120 HydrophobicContact CD1-CD2 3.94Å; L118-L120 HydrophobicContact CD2-CD1 4.5Å; L118-L120 HydrophobicContact CD2-CD2 3.39Å; L118-L120 HydrophobicContact CD2-CG 3.93Å; L118-L120 HydrophobicContact CG-CD2 3.49Å; L118-L120 VanDerWaalsContact CG-CD2 3.49Å; L118-L120 HydrophobicContact CG-CG 3.91Å; L118-L120 PolarHBondContact O-N 3.04Å
119D63.8Low73.9Confident100 Ų10057.2 Ų57.254%0.53533%0.326SS..  trans-78.2103.9154.3-161.4-18.7000106.4S117 N121S117-D119 PolarHBondContact O-N 3.25Å; D119-N121 VanDerWaalsContact CG-OD1 3.23Å; D119-N121 PolarHBondContact O-N 3.46Å; D119-N121 PolarHBondContact OD1-N 2.86Å; D119-N121 PolarHBondContact OD1-OD1 3.24Å; D119-N121 PolarHBondContact OD2-OD1 3.05Å
120L70.9Confident74.7Confident16 Ų1658.3 Ų58.38%0.08433%0.329CS..  trans-64.4-9.9179.6-72.8-179.5000112.2E47 V109 L118 I122 F605E47-L120 HydrophobicContact CB-CB 4.1Å; E47-L120 HydrophobicContact CB-CD1 3.8Å; E47-L120 HydrophobicContact CB-CG 4.43Å; E47-L120 HydrophobicContact CG-CB 4.37Å; E47-L120 HydrophobicContact CG-CD1 3.98Å; E47-L120 HydrophobicContact CG-CG 4.45Å; V109-L120 HydrophobicContact CB-CD2 4.33Å; V109-L120 HydrophobicContact CG2-CD1 4.28Å; V109-L120 HydrophobicContact CG2-CD2 3.13Å; V109-L120 HydrophobicContact CG2-CG 4.37Å; L118-L120 HydrophobicContact CD1-CD2 3.94Å; L118-L120 HydrophobicContact CD2-CD1 4.5Å; L118-L120 HydrophobicContact CD2-CD2 3.39Å; L118-L120 HydrophobicContact CD2-CG 3.93Å; L118-L120 HydrophobicContact CG-CD2 3.49Å; L118-L120 VanDerWaalsContact CG-CD2 3.49Å; L118-L120 HydrophobicContact CG-CG 3.91Å; L118-L120 PolarHBondContact O-N 3.04Å; L120-I122 HydrophobicContact CB-CD1 3.79Å; L120-I122 HydrophobicContact CB-CG1 3.85Å; L120-I122 HydrophobicContact CD1-CD1 3.97Å; L120-I122 HydrophobicContact CG-CD1 4.45Å; L120-I122 PolarHBondContact O-N 3.22Å; L120-F605 HydrophobicContact CD1-CD1 4.16Å; L120-F605 HydrophobicContact CD1-CD2 3.8Å; L120-F605 HydrophobicContact CD1-CE1 4.12Å; L120-F605 HydrophobicContact CD1-CE2 3.75Å; L120-F605 HydrophobicContact CD1-CG 4Å; L120-F605 HydrophobicContact CD1-CZ 3.91Å
121N71.8Confident76.1Confident128 Ų12853.9 Ų53.968%0.68430%0.304SS*.  trans47.529.3-178.2-73-26.7000112.1D119 D123D119-N121 VanDerWaalsContact CG-OD1 3.23Å; D119-N121 PolarHBondContact O-N 3.46Å; D119-N121 PolarHBondContact OD1-N 2.86Å; D119-N121 PolarHBondContact OD1-OD1 3.24Å; D119-N121 PolarHBondContact OD2-OD1 3.05Å; N121-D123 PolarHBondContact O-N 2.9Å
122I82.7Confident77.6Confident8 Ų849.4 Ų49.44%0.04127%0.273CS..  trans-75.493.3178-67.3169000106.9C46 E47 L102 A105 L120 I124 V423C46-I122 WeakPolarHBondContact CB-O 3.39Å; E47-I122 HydrophobicContact CB-CB 4.46Å; E47-I122 HydrophobicContact CB-CD1 3.94Å; L102-I122 HydrophobicContact CD1-CD1 3.99Å; A105-I122 HydrophobicContact CB-CD1 3.93Å; A105-I122 HydrophobicContact CB-CG1 3.57Å; L120-I122 HydrophobicContact CB-CD1 3.79Å; L120-I122 HydrophobicContact CB-CG1 3.85Å; L120-I122 HydrophobicContact CD1-CD1 3.97Å; L120-I122 HydrophobicContact CG-CD1 4.45Å; L120-I122 PolarHBondContact O-N 3.22Å; I122-I124 HydrophobicContact CG2-CB 4.05Å; I122-I124 HydrophobicContact CG2-CD1 3.88Å; I122-I124 HydrophobicContact CG2-CG1 3.85Å; I122-I124 PolarHBondContact O-N 3.17Å; I122-V423 HydrophobicContact CG2-CG2 3.82Å
123D85.3Confident79.2Confident71 Ų7146.1 Ų46.138%0.3826%0.256SS..  trans-84.864.4175.4-172.125.2000111.2R40 N121R40-D123 WeakPolarHBondContact CD-OD1 3.45Å; N121-D123 PolarHBondContact O-N 2.9Å
124I91Very high81.2Confident2 Ų240.9 Ų40.91%0.0122%0.219CC..  trans-114.9111.9170.9-60.1175.5000107.5C46 N98 L102 I122 Q421 V423C46-I124 WeakPolarHBondContact CB-O 3.46Å; N98-I124 HydrophobicContact CB-CD1 4.19Å; N98-I124 HydrophobicContact CB-CG1 4.31Å; L102-I124 HydrophobicContact CB-CD1 3.96Å; I122-I124 HydrophobicContact CG2-CB 4.05Å; I122-I124 HydrophobicContact CG2-CD1 3.88Å; I122-I124 HydrophobicContact CG2-CG1 3.85Å; I122-I124 PolarHBondContact O-N 3.17Å; I124-Q421 HydrophobicContact CD1-CG 4.45Å; I124-Q421 WeakPolarHBondContact CG2-O 3.35Å; I124-V423 HydrophobicContact CB-CG2 4.41Å
125T91.5Very high83.2Confident21 Ų2138 Ų3813%0.12920%0.203CC..  trans-56.3133.5-176.4-52.90000111.1S36 C129 R420S36-T125 PolarHBondContact OG-OG1 3.44Å; T125-C129 HydrophobicContact CG2-CB 3.79Å; T125-R420 VanDerWaalsContact CB-NH2 3.35Å; T125-R420 PolarHBondContact O-NH1 3.4Å; T125-R420 PolarHBondContact O-NH2 2.86Å
126P95.5Very high85.1Confident6 Ų637.7 Ų37.74%0.03920%0.201CC..  trans-59.8154.7-179.5-30.439.5000114.4Y39 Y52 L128 C129 R420Y39-P126 HydrophobicContact CD1-CG 4.5Å; Y39-P126 HydrophobicContact CE1-CG 3.76Å; Y39-P126 HydrophobicContact CE2-CG 3.98Å; Y39-P126 VanDerWaalsContact CZ-CG 3.5Å; Y52-P126 HydrophobicContact CE1-CB 3.88Å; Y52-P126 WeakPolarHBondContact OH-CB 3.42Å; P126-L128 PolarHBondContact O-N 2.83Å; P126-C129 PolarHBondContact O-N 3Å; P126-R420 PolarHBondContact O-NH1 2.72Å
127R94.5Very high87.2Confident68 Ų6831.8 Ų31.826%0.25717%0.17SC..THydrogen-bonded Turntrans-60.9-40.6-171.5-178.961.2-179-1493.9112.9Y52 V422Y52-R127 PolarHBondContact OH-N 2.98Å; R127-V422 HydrophobicContact CB-CG1 4.15Å
128L96.9Very high89.3Confident0 Ų032.2 Ų32.20%016%0.155CC..THydrogen-bonded Turntrans-93.18.4-172-54.2176.1000113.8Y52 P126 R130 H131 V132 Q617 L659 F663Y52-L128 HydrophobicContact CE1-CB 3.78Å; Y52-L128 HydrophobicContact CE2-CB 4.1Å; Y52-L128 HydrophobicContact CE2-CD1 4.1Å; Y52-L128 HydrophobicContact CE2-CG 4.4Å; Y52-L128 WeakPolarHBondContact OH-CB 2.81Å; Y52-L128 PolarHBondContact OH-N 2.84Å; P126-L128 PolarHBondContact O-N 2.83Å; L128-R130 VanDerWaalsContact C-N 3.32Å; L128-R130 PolarHBondContact O-N 3.11Å; L128-H131 HydrophobicContact CB-CB 4.47Å; L128-H131 PolarHBondContact O-N 3.25Å; L128-V132 HydrophobicContact CB-CG2 4.21Å; L128-V132 WeakPolarHBondContact O-CB 3.36Å; L128-V132 WeakPolarHBondContact O-CG2 3.39Å; L128-V132 PolarHBondContact O-N 3.01Å; L128-Q617 HydrophobicContact CD1-CB 3.73Å; L128-Q617 HydrophobicContact CD1-CG 3.6Å; L128-Q617 HydrophobicContact CD2-CB 4.3Å; L128-Q617 HydrophobicContact CG-CB 3.94Å; L128-Q617 HydrophobicContact CG-CG 4.18Å; L128-L659 HydrophobicContact CD1-CB 4.15Å; L128-L659 HydrophobicContact CD1-CD1 4.43Å; L128-L659 HydrophobicContact CD1-CD2 4.06Å; L128-L659 HydrophobicContact CD1-CG 4.45Å; L128-L659 HydrophobicContact CD2-CD1 4.21Å; L128-F663 HydrophobicContact CD1-CD2 3.45Å; L128-F663 VanDerWaalsContact CD1-CD2 3.45Å; L128-F663 HydrophobicContact CD1-CE2 3.82Å; L128-F663 HydrophobicContact CD1-CG 4.21Å
129C95.7Very high91.1Very high5 Ų535.3 Ų35.33%0.03417%0.169CC..Hα-helixtrans-54.2-46.2-176.2-1640000112.7F55 T125 P126 L133F55-C129 VanDerWaalsContact CZ-SG 3.57Å; T125-C129 HydrophobicContact CG2-CB 3.79Å; P126-C129 PolarHBondContact O-N 3Å; C129-L133 PolarHBondContact O-N 2.95Å
130R95.8Very high92.5Very high35 Ų3531.9 Ų31.913%0.13215%0.153CC..Hα-helixtrans-59.1-51.3173.9-179.8-170170.2108.4-7.7111.7E32 F77 G78 L128 V132 L133 V134E32-R130 VanDerWaalsContact OE1-CD 3.31Å; E32-R130 WeakPolarHBondContact OE1-CD 3.47Å; E32-R130 IonicContact OE1-CZ 3.8Å; E32-R130 IonicContact OE1-NE 2.85Å; E32-R130 IonicContact OE1-NH1 3.92Å; E32-R130 PolarHBondContact OE1-NH1 3.4Å; F77-R130 HydrophobicContact CD1-CG 4.14Å; F77-R130 HydrophobicContact CE1-CG 4.02Å; G78-R130 PolarHBondContact O-NH1 3.35Å; G78-R130 PolarHBondContact O-NH2 3.04Å; L128-R130 VanDerWaalsContact C-N 3.32Å; L128-R130 PolarHBondContact O-N 3.11Å; R130-V132 PolarHBondContact O-N 3.32Å; R130-L133 WeakPolarHBondContact O-CB 3.03Å; R130-L133 PolarHBondContact O-N 2.95Å; R130-V134 WeakPolarHBondContact O-CG2 3.36Å; R130-V134 PolarHBondContact O-N 2.91Å; R130-V134 VanDerWaalsContact O-N 3.09Å
131H97.5Very high93.7Very high35 Ų3536.4 Ų36.416%0.16219%0.186CC..Hα-helixtrans-61.8-45.6-176-5583.1000111.8L128 L133 V134 E135 I404 L659L128-H131 HydrophobicContact CB-CB 4.47Å; L128-H131 PolarHBondContact O-N 3.25Å; H131-L133 VanDerWaalsContact C-N 3.33Å; H131-L133 PolarHBondContact O-N 3.37Å; H131-V134 WeakPolarHBondContact O-CB 3.43Å; H131-V134 PolarHBondContact O-N 2.79Å; H131-E135 PolarHBondContact O-N 3.21Å; H131-I404 WeakPolarHBondContact NE2-CD1 3.47Å; H131-L659 HydrophobicContact CB-CD1 3.5Å
132V98Very high94.9Very high0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-65.6-37.4178.2169.70000111Y52 F55 L128 R130 V134 E135 I136 L659 W660Y52-V132 HydrophobicContact CD1-CB 4.24Å; Y52-V132 HydrophobicContact CD1-CG1 4.49Å; Y52-V132 HydrophobicContact CD1-CG2 3.72Å; Y52-V132 HydrophobicContact CE1-CG2 4.38Å; Y52-V132 HydrophobicContact CG-CG2 3.91Å; F55-V132 HydrophobicContact CD1-CB 4.39Å; F55-V132 HydrophobicContact CD1-CG1 3.8Å; F55-V132 HydrophobicContact CE1-CG1 4.28Å; L128-V132 HydrophobicContact CB-CG2 4.21Å; L128-V132 WeakPolarHBondContact O-CB 3.36Å; L128-V132 WeakPolarHBondContact O-CG2 3.39Å; L128-V132 PolarHBondContact O-N 3.01Å; R130-V132 PolarHBondContact O-N 3.32Å; V132-V134 VanDerWaalsContact C-N 3.34Å; V132-V134 PolarHBondContact O-N 3.06Å; V132-E135 PolarHBondContact O-N 2.83Å; V132-I136 HydrophobicContact CG1-CD1 3.71Å; V132-I136 HydrophobicContact CG1-CG1 4.34Å; V132-I136 WeakPolarHBondContact O-CD1 3.47Å; V132-I136 WeakPolarHBondContact O-CG1 3.49Å; V132-I136 PolarHBondContact O-N 3.37Å; V132-L659 HydrophobicContact CG2-CB 4.12Å; V132-W660 HydrophobicContact CG1-CB 3.9Å; V132-W660 HydrophobicContact CG2-CB 4.2Å
133L98.4Very high95.7Very high0 Ų033.8 Ų33.80%017%0.168CC..Hα-helixtrans-57.8-47.817218060000111A31 F34 A35 F55 I59 F75 F77 C129 R130 H131 E135 I136 L137A31-L133 HydrophobicContact CB-CD2 4.47Å; F34-L133 HydrophobicContact CD1-CD1 4.35Å; F34-L133 HydrophobicContact CD1-CD2 4.09Å; F34-L133 HydrophobicContact CE1-CD1 4.18Å; A35-L133 HydrophobicContact CB-CD2 3.84Å; F55-L133 HydrophobicContact CE1-CB 4.38Å; I59-L133 HydrophobicContact CG1-CD1 4.26Å; I59-L133 HydrophobicContact CG2-CD1 3.91Å; F75-L133 HydrophobicContact CD1-CD2 4.42Å; F77-L133 HydrophobicContact CE1-CD2 4.11Å; F77-L133 HydrophobicContact CZ-CD2 3.85Å; F77-L133 HydrophobicContact CZ-CG 4.05Å; C129-L133 PolarHBondContact O-N 2.95Å; R130-L133 WeakPolarHBondContact O-CB 3.03Å; R130-L133 PolarHBondContact O-N 2.95Å; H131-L133 VanDerWaalsContact C-N 3.33Å; H131-L133 PolarHBondContact O-N 3.37Å; L133-E135 PolarHBondContact O-N 3.1Å; L133-I136 PolarHBondContact O-N 3.08Å; L133-I136 VanDerWaalsContact O-N 3.15Å; L133-L137 HydrophobicContact CD1-CD1 4.16Å; L133-L137 HydrophobicContact CD1-CD2 4.26Å; L133-L137 HydrophobicContact CD1-CG 4.02Å; L133-L137 HydrophobicContact CG-CD1 3.95Å; L133-L137 HydrophobicContact CG-CG 4.25Å; L133-L137 VanDerWaalsContact O-CG 3.26Å; L133-L137 WeakPolarHBondContact O-CG 3.37Å; L133-L137 PolarHBondContact O-N 3.3Å
134V98.4Very high96.3Very high7 Ų732.2 Ų32.24%0.04216%0.157CC..Hα-helixtrans-57.1-46.1176.9174.40000111.9F77 R130 H131 V132 I136 L137 R138 Y144 L401F77-V134 HydrophobicContact CE1-CG2 4.01Å; F77-V134 HydrophobicContact CE2-CG2 4.18Å; F77-V134 HydrophobicContact CZ-CG2 3.7Å; R130-V134 WeakPolarHBondContact O-CG2 3.36Å; R130-V134 PolarHBondContact O-N 2.91Å; R130-V134 VanDerWaalsContact O-N 3.09Å; H131-V134 WeakPolarHBondContact O-CB 3.43Å; H131-V134 PolarHBondContact O-N 2.79Å; V132-V134 VanDerWaalsContact C-N 3.34Å; V132-V134 PolarHBondContact O-N 3.06Å; V134-I136 VanDerWaalsContact C-N 3.32Å; V134-I136 PolarHBondContact O-N 3.19Å; V134-L137 PolarHBondContact O-N 3.24Å; V134-R138 WeakPolarHBondContact O-CB 3.36Å; V134-R138 PolarHBondContact O-N 3.08Å; V134-Y144 HydrophobicContact CG1-CE2 3.8Å; V134-L401 HydrophobicContact CG1-CB 4.16Å; V134-L401 HydrophobicContact CG2-CB 4.03Å; V134-L401 HydrophobicContact CG2-CD1 3.54Å; V134-L401 HydrophobicContact CG2-CG 4.44Å
135E97.8Very high96.6Very high29 Ų2932.4 Ų32.414%0.13616%0.158CC..Hα-helixtrans-57.2-45176.3-69.1176.7156.100111.5H131 V132 L133 R138 E139 P658 L659 W660H131-E135 PolarHBondContact O-N 3.21Å; V132-E135 PolarHBondContact O-N 2.83Å; L133-E135 PolarHBondContact O-N 3.1Å; E135-R138 PolarHBondContact O-N 3.03Å; E135-E139 WeakPolarHBondContact O-CB 2.77Å; E135-E139 VanDerWaalsContact O-CG 3.25Å; E135-E139 WeakPolarHBondContact O-CG 3.25Å; E135-E139 PolarHBondContact O-N 2.88Å; E135-P658 WeakPolarHBondContact OE1-CA 3.25Å; E135-L659 WeakPolarHBondContact OE1-CB 3.25Å; E135-L659 PolarHBondContact OE1-N 3.3Å; E135-L659 PolarHBondContact OE2-N 3.43Å; E135-L659 VanDerWaalsContact OE2-N 3.15Å; E135-W660 PolarHBondContact OE2-N 3.37Å
136I97.3Very high96.9Very high0 Ų031.5 Ų31.50%015%0.152CC..Hα-helixtrans-64.3-44.6179.5-62155.9000111.6F55 K56 I59 Q60 L63 V132 L133 V134 S140F55-I136 HydrophobicContact CD1-CD1 4.44Å; K56-I136 VanDerWaalsContact CA-CD1 3.48Å; K56-I136 HydrophobicContact CB-CD1 3.85Å; K56-I136 HydrophobicContact CB-CG1 4.05Å; K56-I136 HydrophobicContact CG-CD1 4.26Å; K56-I136 HydrophobicContact CG-CG1 3.94Å; I59-I136 HydrophobicContact CB-CD1 4.16Å; I59-I136 HydrophobicContact CB-CG2 4.23Å; I59-I136 HydrophobicContact CG1-CD1 4.14Å; I59-I136 HydrophobicContact CG2-CD1 4.49Å; I59-I136 HydrophobicContact CG2-CG2 3.76Å; Q60-I136 HydrophobicContact CG-CG2 4.28Å; L63-I136 HydrophobicContact CD1-CG2 4.18Å; V132-I136 HydrophobicContact CG1-CD1 3.71Å; V132-I136 HydrophobicContact CG1-CG1 4.34Å; V132-I136 WeakPolarHBondContact O-CD1 3.47Å; V132-I136 WeakPolarHBondContact O-CG1 3.49Å; V132-I136 PolarHBondContact O-N 3.37Å; L133-I136 PolarHBondContact O-N 3.08Å; L133-I136 VanDerWaalsContact O-N 3.15Å; V134-I136 VanDerWaalsContact C-N 3.32Å; V134-I136 PolarHBondContact O-N 3.19Å; I136-S140 VanDerWaalsContact O-CB 3.23Å; I136-S140 WeakPolarHBondContact O-CB 3.17Å; I136-S140 PolarHBondContact O-N 3.11Å; I136-S140 PolarHBondContact O-OG 3.02Å
137L98.3Very high96.9Very high0 Ų031.4 Ų31.40%015%0.152CC..Hα-helixtrans-64.1-44.8179.9-64.2175.7000110.7L63 F75 F77 L133 V134 S140 S141 V142 Y144L63-L137 HydrophobicContact CD1-CD2 4.36Å; L63-L137 HydrophobicContact CD2-CD2 4.33Å; F75-L137 HydrophobicContact CB-CD1 3.73Å; F75-L137 HydrophobicContact CD1-CD1 4.02Å; F75-L137 HydrophobicContact CD2-CD1 3.77Å; F75-L137 HydrophobicContact CD2-CD2 3.52Å; F75-L137 HydrophobicContact CD2-CG 4.3Å; F75-L137 HydrophobicContact CE1-CD2 4.44Å; F75-L137 HydrophobicContact CE2-CD1 4.37Å; F75-L137 HydrophobicContact CE2-CD2 3.37Å; F75-L137 HydrophobicContact CG-CD1 3.56Å; F75-L137 HydrophobicContact CG-CD2 4.12Å; F75-L137 HydrophobicContact CZ-CD2 3.88Å; F77-L137 HydrophobicContact CE2-CD1 3.88Å; F77-L137 HydrophobicContact CZ-CD1 3.97Å; L133-L137 HydrophobicContact CD1-CD1 4.16Å; L133-L137 HydrophobicContact CD1-CD2 4.26Å; L133-L137 HydrophobicContact CD1-CG 4.02Å; L133-L137 HydrophobicContact CG-CD1 3.95Å; L133-L137 HydrophobicContact CG-CG 4.25Å; L133-L137 VanDerWaalsContact O-CG 3.26Å; L133-L137 WeakPolarHBondContact O-CG 3.37Å; L133-L137 PolarHBondContact O-N 3.3Å; V134-L137 PolarHBondContact O-N 3.24Å; L137-S140 CarbonylContact O-C 3.6Å; L137-S140 PolarHBondContact O-N 3.12Å; L137-S141 PolarHBondContact O-N 3.19Å; L137-S141 VanDerWaalsContact O-N 3.09Å; L137-V142 HydrophobicContact CB-CB 4.28Å; L137-V142 HydrophobicContact CD2-CB 3.9Å; L137-V142 HydrophobicContact CD2-CG1 3.73Å; L137-V142 HydrophobicContact CD2-CG2 4.47Å; L137-V142 PolarHBondContact O-N 2.64Å; L137-Y144 HydrophobicContact CB-CD1 3.81Å; L137-Y144 HydrophobicContact CB-CE1 4.25Å; L137-Y144 HydrophobicContact CD1-CD1 4.4Å; L137-Y144 HydrophobicContact CD1-CG 4.32Å
138R96.5Very high96.9Very high112 Ų11230.4 Ų30.442%0.42315%0.15SC..Hα-helixtrans-60.3-49.6176.4-172.3-177-61.8166-2.6112V134 E135 S140 S141 Y144 S400V134-R138 WeakPolarHBondContact O-CB 3.36Å; V134-R138 PolarHBondContact O-N 3.08Å; E135-R138 PolarHBondContact O-N 3.03Å; R138-S140 PolarHBondContact O-N 2.9Å; R138-S141 PolarHBondContact O-N 3.17Å; R138-Y144 HydrophobicContact CB-CE1 4.21Å; R138-Y144 PolarHBondContact NE-OH 2.8Å; R138-Y144 VanDerWaalsContact NE-OH 3.1Å; R138-Y144 PolarHBondContact NH2-OH 2.94Å; R138-S400 PolarHBondContact NH2-O 3.37Å; R138-S400 VanDerWaalsContact NH2-O 3.13Å
139E94.8Very high96.7Very high98 Ų9832.5 Ų32.546%0.45816%0.158SC..Hα-helixtrans-63.6-28.1177.3-73174.9-144.700113.1K56 E135 S141 W660K56-E139 VanDerWaalsContact NZ-CD 3.28Å; K56-E139 IonicContact NZ-OE1 3.33Å; K56-E139 PolarHBondContact NZ-OE1 3.18Å; K56-E139 IonicContact NZ-OE2 3.35Å; K56-E139 PolarHBondContact NZ-OE2 3.45Å; E135-E139 WeakPolarHBondContact O-CB 2.77Å; E135-E139 VanDerWaalsContact O-CG 3.25Å; E135-E139 WeakPolarHBondContact O-CG 3.25Å; E135-E139 PolarHBondContact O-N 2.88Å; E139-S141 VanDerWaalsContact C-N 3.35Å; E139-W660 PolarHBondContact OE1-NE1 3.39Å
140S94.8Very high96.5Very high28 Ų2834.9 Ų34.920%0.19617%0.169CC..THydrogen-bonded Turntrans-91.53.6179.4-54.30000113.4I136 L137 R138 V142I136-S140 VanDerWaalsContact O-CB 3.23Å; I136-S140 WeakPolarHBondContact O-CB 3.17Å; I136-S140 PolarHBondContact O-N 3.11Å; I136-S140 PolarHBondContact O-OG 3.02Å; L137-S140 CarbonylContact O-C 3.6Å; L137-S140 PolarHBondContact O-N 3.12Å; R138-S140 PolarHBondContact O-N 2.9Å; S140-V142 PolarHBondContact O-N 2.92Å
141S95.8Very high96.4Very high112 Ų11233.4 Ų33.478%0.78316%0.164SC*.THydrogen-bonded Turntrans50.935.4-173.1-55.40000113.4L137 R138 E139L137-S141 PolarHBondContact O-N 3.19Å; L137-S141 VanDerWaalsContact O-N 3.09Å; R138-S141 PolarHBondContact O-N 3.17Å; E139-S141 VanDerWaalsContact C-N 3.35Å
142V97.5Very high96.2Very high20 Ų2032.8 Ų32.812%0.12116%0.162CC..  trans-86.3140.8175.1174.90000108.9L63 P73 F75 L137 S140 Y144L63-V142 HydrophobicContact CD1-CG2 4Å; L63-V142 HydrophobicContact CD2-CG2 3.98Å; P73-V142 HydrophobicContact CG-CG1 3.92Å; P73-V142 WeakPolarHBondContact O-CG1 3.31Å; F75-V142 HydrophobicContact CD2-CG1 3.75Å; F75-V142 HydrophobicContact CE2-CG1 3.84Å; L137-V142 HydrophobicContact CB-CB 4.28Å; L137-V142 HydrophobicContact CD2-CB 3.9Å; L137-V142 HydrophobicContact CD2-CG1 3.73Å; L137-V142 HydrophobicContact CD2-CG2 4.47Å; L137-V142 PolarHBondContact O-N 2.64Å; S140-V142 PolarHBondContact O-N 2.92Å; V142-Y144 WeakPolarHBondContact O-CD1 3.38Å
143R97.8Very high96Very high61 Ų6134.9 Ų34.923%0.2317%0.173CC..EExtended strand (participates in β ladder)trans-75.2133.8-178.1-69-178.4-70.5167.13.5111.1D72 I74 F75 L332 F334D72-R143 IonicContact OD1-CZ 2.69Å; D72-R143 IonicContact OD1-NE 3.99Å; D72-R143 IonicContact OD1-NH2 3.77Å; D72-R143 PolarHBondContact OD1-NH2 3.02Å; D72-R143 IonicContact OD2-CZ 3.42Å; D72-R143 IonicContact OD2-NE 3.77Å; D72-R143 IonicContact OD2-NH2 2.89Å; D72-R143 PolarHBondContact OD2-NH2 3.14Å; I74-R143 WeakPolarHBondContact CA-O 3.25Å; F75-R143 PolarHBondContact N-O 3.41Å; R143-L332 HydrophobicContact CB-CD2 4.27Å; R143-F334 VanDerWaalsContact NH2-CZ 3.3Å
144Y98.3Very high95.8Very high38 Ų3836.1 Ų36.115%0.14918%0.182CC..EExtended strand (participates in β ladder)trans-150.4156.9173.666.7-84000110.8F75 F77 V134 L137 R138 V142 S400F75-Y144 CarbonylContact O-C 3.59Å; F75-Y144 WeakPolarHBondContact O-CA 3.45Å; F75-Y144 WeakPolarHBondContact O-CB 3.38Å; F77-Y144 HydrophobicContact CD2-CD2 4.38Å; F77-Y144 HydrophobicContact CE2-CD2 4.15Å; F77-Y144 HydrophobicContact CE2-CG 4.3Å; V134-Y144 HydrophobicContact CG1-CE2 3.8Å; L137-Y144 HydrophobicContact CB-CD1 3.81Å; L137-Y144 HydrophobicContact CB-CE1 4.25Å; L137-Y144 HydrophobicContact CD1-CD1 4.4Å; L137-Y144 HydrophobicContact CD1-CG 4.32Å; R138-Y144 HydrophobicContact CB-CE1 4.21Å; R138-Y144 PolarHBondContact NE-OH 2.8Å; R138-Y144 VanDerWaalsContact NE-OH 3.1Å; R138-Y144 PolarHBondContact NH2-OH 2.94Å; V142-Y144 WeakPolarHBondContact O-CD1 3.38Å; Y144-S400 WeakPolarHBondContact CE2-O 3.42Å; Y144-S400 PolarHBondContact OH-O 2.94Å
145I97.9Very high95.7Very high6 Ų635.8 Ų35.83%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-151144.8176.1-170162000110.4F75 F77 L328 A331 L332 K399F75-I145 PolarHBondContact O-N 2.85Å; F77-I145 PolarHBondContact N-O 2.93Å; I145-L328 HydrophobicContact CD1-CD2 3.92Å; I145-L328 HydrophobicContact CG1-CD2 4.45Å; I145-L328 HydrophobicContact CG2-CD2 4.29Å; I145-A331 HydrophobicContact CD1-CB 3.54Å; I145-L332 HydrophobicContact CB-CD2 3.89Å; I145-L332 HydrophobicContact CB-CG 4.32Å; I145-L332 HydrophobicContact CD1-CG 4.46Å; I145-L332 HydrophobicContact CG2-CD1 4.06Å; I145-L332 HydrophobicContact CG2-CD2 3.96Å; I145-L332 HydrophobicContact CG2-CG 4.1Å; I145-K399 HydrophobicContact CD1-CD 4.36Å; I145-K399 HydrophobicContact CG1-CB 4.27Å
146A97.7Very high95.7Very high1 Ų134.4 Ų34.41%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-92.5130.4166.200000111.3F77 F398 K399 L401F77-A146 HydrophobicContact CB-CB 4.33Å; F77-A146 WeakPolarHBondContact O-CA 3.42Å; A146-F398 HydrophobicContact CB-CE1 4.44Å; A146-K399 PolarHBondContact N-O 3.15Å; A146-L401 HydrophobicContact CB-CD1 4.3Å; A146-L401 HydrophobicContact CB-CD2 3.46Å; A146-L401 VanDerWaalsContact CB-CD2 3.46Å; A146-L401 HydrophobicContact CB-CG 3.8Å
147C95.9Very high95.6Very high5 Ų534.9 Ų34.93%0.03418%0.176CC..  trans-67.7155.7165.1-65.60000110V76 F77 G79 R149 A151 S154 F398V76-C147 VanDerWaalsContact CG1-SG 3.56Å; F77-C147 PolarHBondContact O-N 3.48Å; G79-C147 WeakPolarHBondContact CA-O 3.44Å; G79-C147 PolarHBondContact N-O 3.32Å; C147-R149 VanDerWaalsContact C-N 3.27Å; C147-R149 WeakPolarHBondContact CB-O 3.35Å; C147-R149 PolarHBondContact O-N 3.07Å; C147-A151 HydrophobicContact CB-CB 4.47Å; C147-S154 WeakPolarHBondContact SG-CB 3.49Å; C147-F398 WeakPolarHBondContact O-CE1 3.36Å
148E93.8Very high95.5Very high47 Ų4734.9 Ų34.922%0.2218%0.176CC..SBendtrans-59.9-43.6172.7-173.4-168.2144.800111.2C80 S385 I386 F387C80-E148 PolarHBondContact N-O 3.39Å; E148-S385 VanDerWaalsContact CD-OG 3.25Å; E148-S385 WeakPolarHBondContact OE1-CA 2.8Å; E148-S385 PolarHBondContact OE1-OG 3.18Å; E148-S385 WeakPolarHBondContact OE2-CB 3.46Å; E148-S385 PolarHBondContact OE2-OG 3.33Å; E148-I386 HydrophobicContact CG-CB 4Å; E148-I386 HydrophobicContact CG-CD1 4.07Å; E148-I386 HydrophobicContact CG-CG1 4.23Å; E148-I386 WeakPolarHBondContact OE1-CG1 3.26Å; E148-I386 PolarHBondContact OE1-N 3.42Å; E148-F387 HydrophobicContact CB-CD2 4.4Å; E148-F387 HydrophobicContact CB-CE2 3.63Å; E148-F387 HydrophobicContact CB-CZ 3.81Å; E148-F387 HydrophobicContact CG-CD2 4.24Å; E148-F387 HydrophobicContact CG-CE1 4.28Å; E148-F387 HydrophobicContact CG-CE2 3.81Å; E148-F387 HydrophobicContact CG-CZ 3.84Å
149R93.1Very high95.5Very high44 Ų4429.7 Ų29.717%0.16616%0.156CC..SBendtrans-121-146.9-177.7-60.9-68-175.7169-0.3109.7G79 C80 H81 C147 I386 Y412G79-R149 WeakPolarHBondContact CA-O 2.88Å; G79-R149 PolarHBondContact N-O 3.13Å; C80-R149 CarbonylContact O-C 3.6Å; C80-R149 WeakPolarHBondContact O-CA 3.05Å; H81-R149 WeakPolarHBondContact O-CD 3.19Å; H81-R149 PolarHBondContact O-NH1 2.9Å; C147-R149 VanDerWaalsContact C-N 3.27Å; C147-R149 WeakPolarHBondContact CB-O 3.35Å; C147-R149 PolarHBondContact O-N 3.07Å; R149-I386 VanDerWaalsContact CZ-CD1 3.5Å; R149-Y412 PolarHBondContact NH1-O 3.44Å; R149-Y412 PolarHBondContact NH2-O 2.89Å; R149-Y412 VanDerWaalsContact NH2-O 3.12Å
150E91.1Very high95.5Very high54 Ų5425.8 Ų25.825%0.25214%0.139SC..  trans-60.8150.1178.3-51.2-166175.700112.1S82 K87S82-E150 PolarHBondContact N-OE1 3.4Å; K87-E150 VanDerWaalsContact CD-OE1 3.3Å; K87-E150 WeakPolarHBondContact CD-OE1 3.43Å; K87-E150 WeakPolarHBondContact CE-OE1 3.3Å; K87-E150 WeakPolarHBondContact CE-OE2 3.49Å; K87-E150 IonicContact NZ-OE1 2.59Å; K87-E150 PolarHBondContact NZ-OE1 2.68Å; K87-E150 IonicContact NZ-OE2 4Å; K87-E150 PolarHBondContact NZ-OE2 2.96Å
151A93.4Very high95.5Very high5 Ų526.5 Ų26.54%0.04114%0.137CC..SBendtrans-102.2-13.9-168.700000114.7V76 C147 S154 A155V76-A151 HydrophobicContact CG1-CB 3.9Å; C147-A151 HydrophobicContact CB-CB 4.47Å; A151-S154 WeakPolarHBondContact O-CB 3.44Å; A151-S154 PolarHBondContact O-N 3.36Å; A151-A155 VanDerWaalsContact O-CB 3.26Å; A151-A155 WeakPolarHBondContact O-CB 3.32Å; A151-A155 PolarHBondContact O-N 2.92Å
152D93.9Very high95.4Very high21 Ų2122.3 Ų22.311%0.11211%0.106CC..Hα-helixtrans-66.2-50.5-164.6-57.6-11.2000111.9A155 A156 F173 Y176D152-A155 PolarHBondContact O-N 2.92Å; D152-A156 PolarHBondContact O-N 3.3Å; D152-A156 VanDerWaalsContact O-N 3.08Å; D152-F173 HydrophobicContact CB-CE2 3.95Å; D152-F173 HydrophobicContact CB-CZ 4.16Å; D152-Y176 HydrophobicContact CB-CE2 4.09Å; D152-Y176 WeakPolarHBondContact CB-OH 3.26Å
153I93.2Very high95.3Very high44 Ų4428.9 Ų28.923%0.22614%0.135CC..Hα-helixtrans-59.2-50.9173.1-65.8175.1000110.1A155 A156 E157 Y176 D318 L321I153-A155 VanDerWaalsContact C-N 3.29Å; I153-A155 PolarHBondContact O-N 3.19Å; I153-A156 CarbonylContact O-C 3.51Å; I153-A156 WeakPolarHBondContact O-CA 3.34Å; I153-A156 WeakPolarHBondContact O-CB 3.34Å; I153-A156 PolarHBondContact O-N 2.8Å; I153-E157 HydrophobicContact CG2-CG 4.04Å; I153-E157 WeakPolarHBondContact O-CG 3.37Å; I153-E157 PolarHBondContact O-N 3.15Å; I153-Y176 HydrophobicContact CG1-CE1 3.77Å; I153-D318 VanDerWaalsContact CD1-O 3.29Å; I153-D318 WeakPolarHBondContact CD1-O 3.26Å; I153-D318 WeakPolarHBondContact CG1-O 3.36Å; I153-L321 HydrophobicContact CG2-CD2 4.01Å
154S94.4Very high95.3Very high27 Ų2726.4 Ų26.419%0.18913%0.127CC..Hα-helixtrans-57.4-38.7-179.6-72.30000113.5C147 A151 L158C147-S154 WeakPolarHBondContact SG-CB 3.49Å; A151-S154 WeakPolarHBondContact O-CB 3.44Å; A151-S154 PolarHBondContact O-N 3.36Å; S154-L158 WeakPolarHBondContact O-CB 3.34Å; S154-L158 PolarHBondContact O-N 3.4Å
155A97.2Very high95.3Very high0 Ų024.8 Ų24.80%012%0.121CC..Hα-helixtrans-68.5-41176.200000111.1V28 V76 A151 D152 I153 A159 V166 F173V28-A155 HydrophobicContact CG1-CB 3.93Å; V28-A155 WeakPolarHBondContact CG1-O 3.43Å; V76-A155 HydrophobicContact CB-CB 4.14Å; V76-A155 HydrophobicContact CG1-CB 4.29Å; V76-A155 HydrophobicContact CG2-CB 4.29Å; A151-A155 VanDerWaalsContact O-CB 3.26Å; A151-A155 WeakPolarHBondContact O-CB 3.32Å; A151-A155 PolarHBondContact O-N 2.92Å; D152-A155 PolarHBondContact O-N 2.92Å; I153-A155 VanDerWaalsContact C-N 3.29Å; I153-A155 PolarHBondContact O-N 3.19Å; A155-A159 WeakPolarHBondContact O-CB 3.48Å; A155-A159 PolarHBondContact O-N 3.32Å; A155-V166 HydrophobicContact CB-CG2 4.36Å; A155-F173 HydrophobicContact CB-CE1 4.17Å; A155-F173 HydrophobicContact CB-CZ 4.2Å
156A96.6Very high95.3Very high0 Ų024.5 Ų24.50%012%0.12CC..Hα-helixtrans-64.6-46.117500000112.2D152 I153 A159 I160 Y176 Y185 L321D152-A156 PolarHBondContact O-N 3.3Å; D152-A156 VanDerWaalsContact O-N 3.08Å; I153-A156 CarbonylContact O-C 3.51Å; I153-A156 WeakPolarHBondContact O-CA 3.34Å; I153-A156 WeakPolarHBondContact O-CB 3.34Å; I153-A156 PolarHBondContact O-N 2.8Å; A156-A159 PolarHBondContact O-N 2.83Å; A156-I160 WeakPolarHBondContact O-CG1 3.34Å; A156-I160 PolarHBondContact O-N 2.97Å; A156-Y176 HydrophobicContact CB-CD2 3.72Å; A156-Y176 HydrophobicContact CB-CE2 4.37Å; A156-Y176 HydrophobicContact CB-CG 3.93Å; A156-Y185 HydrophobicContact CB-CE2 3.71Å; A156-L321 HydrophobicContact CB-CD2 4.18Å
157E95.2Very high95.3Very high10 Ų1024.4 Ų24.45%0.04712%0.119CC..Hα-helixtrans-63.4-42.4177.5-70.4173.7145.500111.9I153 A159 I160 Y161 L321 N322 T323I153-E157 HydrophobicContact CG2-CG 4.04Å; I153-E157 WeakPolarHBondContact O-CG 3.37Å; I153-E157 PolarHBondContact O-N 3.15Å; E157-A159 VanDerWaalsContact C-N 3.32Å; E157-A159 PolarHBondContact O-N 2.75Å; E157-I160 PolarHBondContact O-N 2.93Å; E157-Y161 WeakPolarHBondContact O-CB 3.2Å; E157-Y161 PolarHBondContact O-N 2.91Å; E157-L321 HydrophobicContact CG-CB 4.3Å; E157-L321 HydrophobicContact CG-CD2 4.13Å; E157-N322 PolarHBondContact OE1-N 2.56Å; E157-T323 WeakPolarHBondContact OE1-CA 3.47Å; E157-T323 PolarHBondContact OE1-N 2.9Å; E157-T323 PolarHBondContact OE1-OG1 3.32Å; E157-T323 PolarHBondContact OE2-OG1 3.5Å
158L96.2Very high95.4Very high0 Ų024.2 Ų24.20%012%0.118CC..Hα-helixtrans-60.6-42.6175.1179.862.6000111.4V28 I74 V76 S154 Y161 L162 L328 A329 L332V28-L158 HydrophobicContact CG1-CD2 4.33Å; V28-L158 HydrophobicContact CG2-CB 4.46Å; V28-L158 HydrophobicContact CG2-CD2 4.05Å; V28-L158 HydrophobicContact CG2-CG 3.99Å; I74-L158 HydrophobicContact CG2-CD2 4.13Å; V76-L158 HydrophobicContact CG2-CD2 3.85Å; S154-L158 WeakPolarHBondContact O-CB 3.34Å; S154-L158 PolarHBondContact O-N 3.4Å; L158-Y161 PolarHBondContact O-N 3.34Å; L158-L162 HydrophobicContact CD1-CD1 3.7Å; L158-L162 HydrophobicContact CD1-CG 3.93Å; L158-L162 HydrophobicContact CG-CD1 3.91Å; L158-L162 HydrophobicContact CG-CG 4.41Å; L158-L162 WeakPolarHBondContact O-CB 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 2.86Å; L158-L328 HydrophobicContact CD1-CB 4.04Å; L158-A329 HydrophobicContact CD1-CB 3.93Å; L158-L332 HydrophobicContact CD1-CD1 4.31Å; L158-L332 HydrophobicContact CD2-CD1 3.66Å
159A97.3Very high95.5Very high2 Ų223.1 Ų23.12%0.01712%0.119CC..Hα-helixtrans-65.8-4117900000112.3V28 A155 A156 E157 Q163 C164 V166V28-A159 HydrophobicContact CB-CB 4.08Å; V28-A159 HydrophobicContact CG2-CB 3.9Å; A155-A159 WeakPolarHBondContact O-CB 3.48Å; A155-A159 PolarHBondContact O-N 3.32Å; A156-A159 PolarHBondContact O-N 2.83Å; E157-A159 VanDerWaalsContact C-N 3.32Å; E157-A159 PolarHBondContact O-N 2.75Å; A159-Q163 WeakPolarHBondContact O-CA 3.5Å; A159-Q163 PolarHBondContact O-N 3.29Å; A159-C164 CarbonylContact C-O 3.57Å; A159-C164 WeakPolarHBondContact CB-O 3.2Å; A159-C164 PolarHBondContact O-N 3.02Å; A159-V166 HydrophobicContact CB-CB 3.68Å; A159-V166 HydrophobicContact CB-CG1 4.21Å
160I95.3Very high95.5Very high17 Ų1721.6 Ų21.69%0.08711%0.114CC..Hα-helixtrans-62.5-47.5174-68.3163.9000110.3A156 E157 L162 Q163 P178 Q183 Y185 L321A156-I160 WeakPolarHBondContact O-CG1 3.34Å; A156-I160 PolarHBondContact O-N 2.97Å; E157-I160 PolarHBondContact O-N 2.93Å; I160-L162 PolarHBondContact O-N 3.45Å; I160-Q163 PolarHBondContact O-N 3.05Å; I160-Q163 VanDerWaalsContact O-N 3.11Å; I160-P178 HydrophobicContact CD1-CB 4.28Å; I160-Q183 HydrophobicContact CG2-CB 4.04Å; I160-Q183 HydrophobicContact CG2-CG 4.25Å; I160-Y185 HydrophobicContact CD1-CD2 3.96Å; I160-Y185 HydrophobicContact CG1-CD2 3.85Å; I160-L321 HydrophobicContact CD1-CD1 3.41Å; I160-L321 VanDerWaalsContact CD1-CD1 3.41Å
161Y93.8Very high95.6Very high42 Ų4219.4 Ų19.417%0.16511%0.105CC..Hα-helixtrans-61.7-45-179.9-178.3-91.8000111.8E157 L158 Q163 E326 A329 N336 H339E157-Y161 WeakPolarHBondContact O-CB 3.2Å; E157-Y161 PolarHBondContact O-N 2.91Å; L158-Y161 PolarHBondContact O-N 3.34Å; Y161-Q163 PolarHBondContact O-N 2.75Å; Y161-E326 HydrophobicContact CD2-CB 3.95Å; Y161-E326 HydrophobicContact CE1-CB 4.47Å; Y161-E326 HydrophobicContact CE2-CB 3.5Å; Y161-E326 HydrophobicContact CE2-CG 3.92Å; Y161-A329 HydrophobicContact CD1-CB 3.58Å; Y161-A329 HydrophobicContact CE1-CB 3.5Å; Y161-N336 PolarHBondContact OH-OD1 3.3Å; Y161-H339 AromaticContact CE1-NE2 3.58Å; Y161-H339 AromaticContact CZ-NE2 3.46Å; Y161-H339 PolarHBondContact O-CE1 3.24Å; Y161-H339 PolarHBondContact OH-NE2 3.31Å
162L94.9Very high95.6Very high25 Ų2519.8 Ų19.813%0.13111%0.107CC..THydrogen-bonded Turntrans-790.5177.2-64.7179.8000113.7I74 L158 I160 C164 A329 F334I74-L162 HydrophobicContact CD1-CD1 3.72Å; L158-L162 HydrophobicContact CD1-CD1 3.7Å; L158-L162 HydrophobicContact CD1-CG 3.93Å; L158-L162 HydrophobicContact CG-CD1 3.91Å; L158-L162 HydrophobicContact CG-CG 4.41Å; L158-L162 WeakPolarHBondContact O-CB 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 2.86Å; I160-L162 PolarHBondContact O-N 3.45Å; L162-C164 PolarHBondContact O-N 2.89Å; L162-A329 HydrophobicContact CD2-CB 4.1Å; L162-F334 HydrophobicContact CD1-CD2 4.21Å; L162-F334 HydrophobicContact CD1-CE1 4.37Å; L162-F334 HydrophobicContact CD1-CE2 3.62Å; L162-F334 HydrophobicContact CD1-CZ 3.66Å; L162-F334 HydrophobicContact CD2-CB 4.29Å; L162-F334 HydrophobicContact CD2-CD1 3.86Å; L162-F334 HydrophobicContact CD2-CD2 3.95Å; L162-F334 HydrophobicContact CD2-CE1 4Å; L162-F334 HydrophobicContact CD2-CE2 4.08Å; L162-F334 HydrophobicContact CD2-CG 3.79Å; L162-F334 HydrophobicContact CD2-CZ 4.06Å
163Q94.8Very high95.7Very high158 Ų15818.8 Ų18.874%0.73810%0.101SC*.THydrogen-bonded Turntrans50.140.1-176.9-57.6-178-500113.3A159 I160 Y161A159-Q163 WeakPolarHBondContact O-CA 3.5Å; A159-Q163 PolarHBondContact O-N 3.29Å; I160-Q163 PolarHBondContact O-N 3.05Å; I160-Q163 VanDerWaalsContact O-N 3.11Å; Y161-Q163 PolarHBondContact O-N 2.75Å
164C97.2Very high95.8Very high8 Ų816.7 Ų16.75%0.0549%0.091CC..  trans-126.2165.1-178.7690000111.3P26 A159 L162P26-C164 HydrophobicContact CB-CB 3.92Å; P26-C164 HydrophobicContact CG-CB 4.43Å; P26-C164 WeakPolarHBondContact O-CB 3.41Å; A159-C164 CarbonylContact C-O 3.57Å; A159-C164 WeakPolarHBondContact CB-O 3.2Å; A159-C164 PolarHBondContact O-N 3.02Å; L162-C164 PolarHBondContact O-N 2.89Å
165P98.2Very high95.7Very high4 Ų415.5 Ų15.53%0.0268%0.082CC..  trans-70.3155.5175.5-2134.9000112.9Y20 L27 V28 S186 I188Y20-P165 HydrophobicContact CE1-CG 4.21Å; Y20-P165 WeakPolarHBondContact OH-CG 3.2Å; L27-P165 HydrophobicContact CD1-CB 4.13Å; V28-P165 PolarHBondContact N-O 3.5Å; P165-S186 CarbonylContact C-O 3.42Å; P165-S186 WeakPolarHBondContact CA-O 3.4Å; P165-I188 HydrophobicContact CB-CD1 3.55Å; P165-I188 HydrophobicContact CB-CG1 4.02Å; P165-I188 HydrophobicContact CG-CD1 3.98Å
166V98.5Very high95.5Very high0 Ų015.9 Ų15.90%08%0.083CC..EExtended strand (participates in β ladder)trans-113.5147165.761.90000110.5V28 A155 A159 F173 Y185 S186 F187 I188V28-V166 HydrophobicContact CB-CB 4.21Å; V28-V166 HydrophobicContact CB-CG2 4.04Å; V28-V166 HydrophobicContact CG1-CG2 3.96Å; V28-V166 CarbonylContact O-C 3.32Å; V28-V166 VanDerWaalsContact O-CA 3.27Å; V28-V166 WeakPolarHBondContact O-CA 3.2Å; A155-V166 HydrophobicContact CB-CG2 4.36Å; A159-V166 HydrophobicContact CB-CB 3.68Å; A159-V166 HydrophobicContact CB-CG1 4.21Å; V166-F173 HydrophobicContact CG1-CD1 3.98Å; V166-F173 HydrophobicContact CG1-CE1 4.33Å; V166-F173 HydrophobicContact CG2-CD1 3.92Å; V166-F173 HydrophobicContact CG2-CE1 3.5Å; V166-Y185 HydrophobicContact CG1-CD2 4.42Å; V166-Y185 HydrophobicContact CG1-CE2 3.42Å; V166-Y185 VanDerWaalsContact CG1-CE2 3.42Å; V166-Y185 WeakPolarHBondContact CG1-OH 2.82Å; V166-S186 PolarHBondContact N-O 3.15Å; V166-F187 HydrophobicContact CG1-CD2 4.21Å; V166-F187 WeakPolarHBondContact O-CA 3.26Å; V166-F187 WeakPolarHBondContact O-CD2 3.37Å; V166-I188 PolarHBondContact O-N 3.2Å
167T98.2Very high95.2Very high0 Ų016.7 Ų16.70%09%0.087CC..EExtended strand (participates in β ladder)trans-129.8136.1178.2-167.90000112.3L27 V28 I29 D30 I188 L190 I193L27-T167 HydrophobicContact CD1-CG2 3.95Å; L27-T167 HydrophobicContact CD2-CG2 3.96Å; L27-T167 HydrophobicContact CG-CG2 4.02Å; V28-T167 PolarHBondContact O-N 2.7Å; I29-T167 HydrophobicContact CB-CG2 4.16Å; I29-T167 HydrophobicContact CG1-CG2 3.7Å; I29-T167 HydrophobicContact CG2-CG2 4.15Å; D30-T167 PolarHBondContact N-O 2.77Å; D30-T167 VanDerWaalsContact N-O 3.08Å; T167-I188 WeakPolarHBondContact CA-O 3.41Å; T167-I188 VanDerWaalsContact CB-O 3.26Å; T167-I188 WeakPolarHBondContact CB-O 3.4Å; T167-I188 PolarHBondContact OG1-O 3.33Å; T167-L190 HydrophobicContact CG2-CD1 4.1Å; T167-L190 WeakPolarHBondContact OG1-CA 3.29Å; T167-L190 PolarHBondContact OG1-N 2.91Å; T167-I193 HydrophobicContact CG2-CD1 4.12Å
168S97.6Very high94.9Very high0 Ų017 Ų170%09%0.09CC..EExtended strand (participates in β ladder)trans-158.6158.6175.2-175.80000109D30 D170 F187 L190D30-S168 PolarHBondContact OD2-OG 3.42Å; S168-D170 VanDerWaalsContact C-N 3.34Å; S168-D170 WeakPolarHBondContact OG-CB 3.45Å; S168-D170 PolarHBondContact OG-N 2.73Å; S168-F187 VanDerWaalsContact O-CZ 3.31Å; S168-F187 WeakPolarHBondContact O-CZ 3.31Å; S168-L190 PolarHBondContact O-N 2.82Å
169G94.9Very high94.2Very high25 Ų2519.6 Ų19.626%0.25810%0.103SC..SBendtrans-93.27.1163.200000112.9W7 N33W7-G169 VanDerWaalsContact CZ3-C 3.45Å; W7-G169 WeakPolarHBondContact CZ3-O 3.29Å; N33-G169 VanDerWaalsContact CG-N 3.25Å; N33-G169 VanDerWaalsContact ND2-C 3.32Å; N33-G169 WeakPolarHBondContact OD1-CA 3.49Å; N33-G169 PolarHBondContact OD1-N 3.39Å
170D93.5Very high93.5Very high11 Ų1123 Ų236%0.05912%0.121CC..  trans-84.8137.2175.7-153.3-23.7000111.5M1 G2 N33 S168 D172 F173M1-D170 PolarHBondContact N-OD1 3.43Å; M1-D170 PolarHBondContact N-OD2 3.12Å; G2-D170 WeakPolarHBondContact CA-OD1 3.5Å; G2-D170 PolarHBondContact N-OD1 3.32Å; N33-D170 PolarHBondContact ND2-N 3.49Å; S168-D170 VanDerWaalsContact C-N 3.34Å; S168-D170 WeakPolarHBondContact OG-CB 3.45Å; S168-D170 PolarHBondContact OG-N 2.73Å; D170-D172 VanDerWaalsContact C-N 3.31Å; D170-D172 PolarHBondContact OD1-N 3.19Å; D170-F173 HydrophobicContact CB-CD2 3.9Å; D170-F173 HydrophobicContact CB-CE2 4.19Å
171S93.7Very high92.6Very high9 Ų928.9 Ų28.96%0.06315%0.152CC..G310 helixtrans-76.6-18.2-178.350.10000113.5I3 F173 F174I3-S171 PolarHBondContact N-OG 3.07Å; I3-S171 VanDerWaalsContact N-OG 3.08Å; I3-S171 PolarHBondContact O-OG 3.18Å; I3-S171 VanDerWaalsContact O-OG 3.14Å; S171-F173 PolarHBondContact O-N 3.36Å; S171-F174 WeakPolarHBondContact O-CB 3.32Å; S171-F174 WeakPolarHBondContact O-CD2 3.49Å; S171-F174 PolarHBondContact O-N 2.89Å; S171-F174 VanDerWaalsContact O-N 3.11Å
172D93.6Very high92.1Very high13 Ų1333.7 Ų33.77%0.0718%0.181CC..G310 helixtrans-63.1-28176.2-73.2-18.5000112G2 I3 D170 F174 I175 Y319G2-D172 VanDerWaalsContact CA-CG 3.42Å; G2-D172 VanDerWaalsContact CA-OD1 3.3Å; G2-D172 WeakPolarHBondContact CA-OD1 3.47Å; G2-D172 WeakPolarHBondContact CA-OD2 3.39Å; I3-D172 PolarHBondContact N-OD1 2.9Å; D170-D172 VanDerWaalsContact C-N 3.31Å; D170-D172 PolarHBondContact OD1-N 3.19Å; D172-F174 PolarHBondContact O-N 2.89Å; D172-F174 VanDerWaalsContact O-N 3.11Å; D172-I175 WeakPolarHBondContact O-CB 3.36Å; D172-I175 PolarHBondContact O-N 2.94Å; D172-Y319 HydrophobicContact CB-CE1 3.81Å; D172-Y319 PolarHBondContact OD1-OH 3.45Å
173F95.4Very high91.7Very high0 Ų036.9 Ų36.90%020%0.195CC..G310 helixtrans-66.7-11175-74.7-105.6000114.4D30 D152 A155 V166 D170 S171 I175 Y176 Y185 F187D30-F173 HydrophobicContact CB-CE2 4.4Å; D30-F173 HydrophobicContact CB-CZ 4.07Å; D152-F173 HydrophobicContact CB-CE2 3.95Å; D152-F173 HydrophobicContact CB-CZ 4.16Å; A155-F173 HydrophobicContact CB-CE1 4.17Å; A155-F173 HydrophobicContact CB-CZ 4.2Å; V166-F173 HydrophobicContact CG1-CD1 3.98Å; V166-F173 HydrophobicContact CG1-CE1 4.33Å; V166-F173 HydrophobicContact CG2-CD1 3.92Å; V166-F173 HydrophobicContact CG2-CE1 3.5Å; D170-F173 HydrophobicContact CB-CD2 3.9Å; D170-F173 HydrophobicContact CB-CE2 4.19Å; S171-F173 PolarHBondContact O-N 3.36Å; F173-I175 VanDerWaalsContact C-N 3.31Å; F173-Y176 HydrophobicContact CB-CD2 4.44Å; F173-Y176 HydrophobicContact CD1-CD2 4.25Å; F173-Y176 HydrophobicContact CD1-CE2 4.38Å; F173-Y176 HydrophobicContact CD2-CE2 4.22Å; F173-Y176 HydrophobicContact CE2-CE2 4.46Å; F173-Y176 HydrophobicContact CG-CD2 4.23Å; F173-Y176 HydrophobicContact CG-CE2 4.19Å; F173-Y185 WeakPolarHBondContact CD1-OH 3.19Å; F173-Y185 WeakPolarHBondContact O-CE1 3.47Å; F173-Y185 PolarHBondContact O-OH 3.14Å; F173-F187 HydrophobicContact CB-CD1 4.25Å; F173-F187 HydrophobicContact CB-CD2 3.58Å; F173-F187 HydrophobicContact CB-CE1 3.98Å; F173-F187 HydrophobicContact CB-CE2 3.27Å; F173-F187 HydrophobicContact CB-CG 4.06Å; F173-F187 HydrophobicContact CB-CZ 3.49Å; F173-F187 VanDerWaalsContact CB-CZ 3.49Å; F173-F187 HydrophobicContact CD1-CD2 4.15Å; F173-F187 HydrophobicContact CD1-CE2 4.07Å; F173-F187 HydrophobicContact CG-CD2 4.23Å; F173-F187 AromaticContact CG-CE2 3.83Å; F173-F187 HydrophobicContact CG-CE2 3.83Å; F173-F187 HydrophobicContact CG-CZ 4.38Å
174F94.5Very high91.5Very high0 Ų033.7 Ų33.70%019%0.186CC..G310 helixtrans-76.6-20.5168.7-66.7-64.8000113L6 W7 I10 F17 S171 D172 F187 P189 L222 F228L6-F174 HydrophobicContact CD2-CB 4.29Å; W7-F174 AromaticContact CD2-CE2 3.93Å; W7-F174 HydrophobicContact CD2-CE2 3.93Å; W7-F174 HydrophobicContact CD2-CZ 4.29Å; W7-F174 HydrophobicContact CE3-CD2 4.39Å; W7-F174 AromaticContact CE3-CE2 3.35Å; W7-F174 HydrophobicContact CE3-CE2 3.35Å; W7-F174 AromaticContact CE3-CZ 3.86Å; W7-F174 HydrophobicContact CE3-CZ 3.86Å; W7-F174 HydrophobicContact CG-CE2 4.46Å; W7-F174 HydrophobicContact CH2-CZ 4.45Å; W7-F174 AromaticContact CZ3-CE2 3.76Å; W7-F174 HydrophobicContact CZ3-CE2 3.76Å; W7-F174 AromaticContact CZ3-CZ 3.93Å; W7-F174 HydrophobicContact CZ3-CZ 3.93Å; I10-F174 HydrophobicContact CB-CZ 4.5Å; I10-F174 HydrophobicContact CD1-CB 3.47Å; I10-F174 VanDerWaalsContact CD1-CB 3.47Å; I10-F174 HydrophobicContact CD1-CD1 3.6Å; I10-F174 HydrophobicContact CD1-CD2 3.48Å; I10-F174 VanDerWaalsContact CD1-CD2 3.48Å; I10-F174 HydrophobicContact CD1-CE1 4.13Å; I10-F174 HydrophobicContact CD1-CE2 4.02Å; I10-F174 HydrophobicContact CD1-CG 3.24Å; I10-F174 HydrophobicContact CD1-CZ 4.33Å; I10-F174 HydrophobicContact CG2-CD1 4.28Å; I10-F174 HydrophobicContact CG2-CE1 3.98Å; I10-F174 HydrophobicContact CG2-CZ 4.32Å; F17-F174 AromaticContact CE1-CE1 3.83Å; F17-F174 HydrophobicContact CE1-CE1 3.83Å; F17-F174 HydrophobicContact CE1-CZ 4.35Å; F17-F174 AromaticContact CZ-CE1 3.78Å; F17-F174 HydrophobicContact CZ-CE1 3.78Å; F17-F174 AromaticContact CZ-CZ 3.98Å; F17-F174 HydrophobicContact CZ-CZ 3.98Å; S171-F174 WeakPolarHBondContact O-CB 3.32Å; S171-F174 WeakPolarHBondContact O-CD2 3.49Å; S171-F174 PolarHBondContact O-N 2.89Å; S171-F174 VanDerWaalsContact O-N 3.11Å; D172-F174 PolarHBondContact O-N 2.89Å; D172-F174 VanDerWaalsContact O-N 3.11Å; F174-F187 AromaticContact CD1-CD1 3.65Å; F174-F187 HydrophobicContact CD1-CD1 3.65Å; F174-F187 AromaticContact CD1-CE1 3.65Å; F174-F187 HydrophobicContact CD1-CE1 3.65Å; F174-F187 HydrophobicContact CD2-CE1 4.35Å; F174-F187 AromaticContact CE1-CD1 3.67Å; F174-F187 HydrophobicContact CE1-CD1 3.67Å; F174-F187 AromaticContact CE1-CE1 3.42Å; F174-F187 HydrophobicContact CE1-CE1 3.42Å; F174-F187 VanDerWaalsContact CE1-CE1 3.42Å; F174-F187 HydrophobicContact CE2-CE1 4.17Å; F174-F187 HydrophobicContact CG-CD1 4.37Å; F174-F187 HydrophobicContact CG-CE1 4.12Å; F174-F187 HydrophobicContact CZ-CD1 4.41Å; F174-F187 AromaticContact CZ-CE1 3.7Å; F174-F187 HydrophobicContact CZ-CE1 3.7Å; F174-P189 HydrophobicContact CE1-CG 4.49Å; F174-P189 HydrophobicContact CZ-CG 4.5Å; F174-L222 HydrophobicContact CD1-CD1 3.87Å; F174-L222 HydrophobicContact CD1-CD2 4.17Å; F174-L222 HydrophobicContact CE1-CD1 4.16Å; F174-F228 HydrophobicContact CB-CE1 4.11Å; F174-F228 WeakPolarHBondContact O-CE1 3.05Å
175I94.1Very high91.3Very high2 Ų233.9 Ų33.91%0.0119%0.186CC..THydrogen-bonded Turntrans-89.7-35.3-172.2-52.7-54.5000111.7I3 L6 D172 F173 R177 F228 L236 F239 A240 Y319I3-I175 HydrophobicContact CD1-CD1 3.61Å; I3-I175 HydrophobicContact CD1-CG1 3.42Å; I3-I175 VanDerWaalsContact CD1-CG1 3.42Å; L6-I175 HydrophobicContact CD2-CD1 3.66Å; L6-I175 HydrophobicContact CD2-CG1 4.27Å; D172-I175 WeakPolarHBondContact O-CB 3.36Å; D172-I175 PolarHBondContact O-N 2.94Å; F173-I175 VanDerWaalsContact C-N 3.31Å; I175-R177 PolarHBondContact O-N 3.28Å; I175-F228 HydrophobicContact CD1-CZ 4.09Å; I175-L236 HydrophobicContact CD1-CD1 3.9Å; I175-L236 HydrophobicContact CD1-CG 4.32Å; I175-L236 HydrophobicContact CG2-CG 3.99Å; I175-L236 WeakPolarHBondContact O-CD2 3.49Å; I175-F239 HydrophobicContact CD1-CD1 4.22Å; I175-F239 HydrophobicContact CD1-CE1 4.25Å; I175-A240 HydrophobicContact CD1-CB 4.13Å; I175-A240 HydrophobicContact CG1-CB 4.01Å; I175-A240 HydrophobicContact CG2-CB 3.91Å; I175-Y319 HydrophobicContact CB-CD1 3.6Å; I175-Y319 HydrophobicContact CB-CE1 3.91Å; I175-Y319 HydrophobicContact CB-CG 4.21Å; I175-Y319 HydrophobicContact CG1-CD1 4.2Å; I175-Y319 HydrophobicContact CG1-CE1 3.98Å; I175-Y319 HydrophobicContact CG2-CD1 3.43Å; I175-Y319 VanDerWaalsContact CG2-CD1 3.43Å; I175-Y319 HydrophobicContact CG2-CD2 4.12Å; I175-Y319 HydrophobicContact CG2-CE1 4Å; I175-Y319 HydrophobicContact CG2-CG 3.49Å; I175-Y319 VanDerWaalsContact CG2-CG 3.49Å
176Y92.9Very high91.2Very high7 Ų735 Ų353%0.02719%0.194CC..  trans-57.8128.7-177.7-61.9-49000112.2D152 I153 A156 F173 Y185 Y319 L321D152-Y176 HydrophobicContact CB-CE2 4.09Å; D152-Y176 WeakPolarHBondContact CB-OH 3.26Å; I153-Y176 HydrophobicContact CG1-CE1 3.77Å; A156-Y176 HydrophobicContact CB-CD2 3.72Å; A156-Y176 HydrophobicContact CB-CE2 4.37Å; A156-Y176 HydrophobicContact CB-CG 3.93Å; F173-Y176 HydrophobicContact CB-CD2 4.44Å; F173-Y176 HydrophobicContact CD1-CD2 4.25Å; F173-Y176 HydrophobicContact CD1-CE2 4.38Å; F173-Y176 HydrophobicContact CD2-CE2 4.22Å; F173-Y176 HydrophobicContact CE2-CE2 4.46Å; F173-Y176 HydrophobicContact CG-CD2 4.23Å; F173-Y176 HydrophobicContact CG-CE2 4.19Å; Y176-Y185 WeakPolarHBondContact O-CD1 3.31Å; Y176-Y185 WeakPolarHBondContact O-CE1 3.48Å; Y176-Y319 HydrophobicContact CD1-CD1 4.37Å; Y176-Y319 AromaticContact CE1-CD1 3.93Å; Y176-Y319 HydrophobicContact CE1-CD1 3.93Å; Y176-L321 HydrophobicContact CD1-CD2 3.7Å; Y176-L321 HydrophobicContact CE1-CD2 4.36Å; Y176-L321 HydrophobicContact CG-CD2 4.17Å
177R90.1Very high91.2Very high18 Ų1835.1 Ų35.17%0.06819%0.194CC..  trans-147.2141.7172.1-66.6-170.1-177.4148.48.8110I175 F228 L231 L236 L321I175-R177 PolarHBondContact O-N 3.28Å; R177-F228 PolarHBondContact NH2-O 3.48Å; R177-L231 PolarHBondContact NH1-O 2.87Å; R177-L236 HydrophobicContact CG-CD2 4.2Å; R177-L321 WeakPolarHBondContact O-CD1 3.44Å
178P88.5Confident91.1Very high17 Ų1735.1 Ų35.111%0.1119%0.194CC..  trans-65148.2172.427.7-32.6000110I160 Q183I160-P178 HydrophobicContact CD1-CB 4.28Å; P178-Q183 HydrophobicContact CB-CB 3.66Å; P178-Q183 HydrophobicContact CG-CB 3.81Å; P178-Q183 WeakPolarHBondContact CG-O 3.25Å
179I82Confident91.1Very high54 Ų5435.2 Ų35.228%0.27720%0.195SC..SBendtrans-75.6-36.6173.3-60.4169.3000109.7N181 Y233 F320I179-N181 PolarHBondContact O-N 3.49Å; I179-Y233 HydrophobicContact CG1-CE1 4.04Å; I179-F320 HydrophobicContact CD1-CD1 4.11Å; I179-F320 HydrophobicContact CD1-CE1 3.34Å; I179-F320 HydrophobicContact CD1-CE2 3.94Å; I179-F320 HydrophobicContact CD1-CZ 3.23Å
180D81.7Confident91.1Very high74 Ų7434.3 Ų34.340%0.39618%0.184SC..SBendtrans-74.2114171.8-176.22.1000110.2N182 Q183D180-N182 PolarHBondContact O-N 3.17Å; D180-N182 VanDerWaalsContact O-N 3.12Å; D180-N182 WeakPolarHBondContact OD1-CB 3.43Å; D180-N182 PolarHBondContact OD1-N 3.34Å; D180-N182 PolarHBondContact OD1-ND2 3.15Å; D180-Q183 HydrophobicContact CB-CG 4.11Å; D180-Q183 WeakPolarHBondContact O-CB 3.24Å; D180-Q183 PolarHBondContact O-N 3.4Å
181N77.5Confident91.1Very high140 Ų14036 Ų3675%0.74920%0.197SC*.THydrogen-bonded Turntrans-64.5-13.2177.8-67.2-49.3000113.5I179 Q183I179-N181 PolarHBondContact O-N 3.49Å; N181-Q183 VanDerWaalsContact C-N 3.33Å
182N82.2Confident91.1Very high142 Ų14236.4 Ų36.476%0.75920%0.2SC*.THydrogen-bonded Turntrans-80.1-17.3173.7-59.1-50.5000112.8D180D180-N182 PolarHBondContact O-N 3.17Å; D180-N182 VanDerWaalsContact O-N 3.12Å; D180-N182 WeakPolarHBondContact OD1-CB 3.43Å; D180-N182 PolarHBondContact OD1-N 3.34Å; D180-N182 PolarHBondContact OD1-ND2 3.15Å
183Q86.6Confident91.2Very high92 Ų9236 Ų3643%0.4320%0.198SC..SBendtrans-85.8145.1175.9-68.1-178.7-37.700110.6I160 P178 D180 N181I160-Q183 HydrophobicContact CG2-CB 4.04Å; I160-Q183 HydrophobicContact CG2-CG 4.25Å; P178-Q183 HydrophobicContact CB-CB 3.66Å; P178-Q183 HydrophobicContact CG-CB 3.81Å; P178-Q183 WeakPolarHBondContact CG-O 3.25Å; D180-Q183 HydrophobicContact CB-CG 4.11Å; D180-Q183 WeakPolarHBondContact O-CB 3.24Å; D180-Q183 PolarHBondContact O-N 3.4Å; N181-Q183 VanDerWaalsContact C-N 3.33Å
184V89.8Confident90.7Very high92 Ų9241.3 Ų41.356%0.55823%0.226SC*.  trans-112.1128.2179.5-178.60000109.3
185Y93.8Very high90.1Very high11 Ų1144.1 Ų44.14%0.04324%0.24CC..  trans-106.7128.9168178-106.7000109.6A156 I160 V166 F173 Y176 F187A156-Y185 HydrophobicContact CB-CE2 3.71Å; I160-Y185 HydrophobicContact CD1-CD2 3.96Å; I160-Y185 HydrophobicContact CG1-CD2 3.85Å; V166-Y185 HydrophobicContact CG1-CD2 4.42Å; V166-Y185 HydrophobicContact CG1-CE2 3.42Å; V166-Y185 VanDerWaalsContact CG1-CE2 3.42Å; V166-Y185 WeakPolarHBondContact CG1-OH 2.82Å; F173-Y185 WeakPolarHBondContact CD1-OH 3.19Å; F173-Y185 WeakPolarHBondContact O-CE1 3.47Å; F173-Y185 PolarHBondContact O-OH 3.14Å; Y176-Y185 WeakPolarHBondContact O-CD1 3.31Å; Y176-Y185 WeakPolarHBondContact O-CE1 3.48Å; Y185-F187 HydrophobicContact CD1-CB 4.5Å; Y185-F187 HydrophobicContact CE1-CB 3.72Å
186S96.1Very high89.9Confident29 Ų2948.1 Ų48.120%0.20326%0.262CS..  trans-124.2106.2-178.6-66.20000109.9P165 V166P165-S186 CarbonylContact C-O 3.42Å; P165-S186 WeakPolarHBondContact CA-O 3.4Å; V166-S186 PolarHBondContact N-O 3.15Å
187F97.6Very high89.9Confident1 Ų148.7 Ų48.70%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-101.2125.6178.2176.4-125.3000111.9W7 V166 S168 F173 F174 Y185 P189 V221 L222W7-F187 HydrophobicContact CZ3-CE1 4.41Å; W7-F187 HydrophobicContact CZ3-CZ 4.18Å; V166-F187 HydrophobicContact CG1-CD2 4.21Å; V166-F187 WeakPolarHBondContact O-CA 3.26Å; V166-F187 WeakPolarHBondContact O-CD2 3.37Å; S168-F187 VanDerWaalsContact O-CZ 3.31Å; S168-F187 WeakPolarHBondContact O-CZ 3.31Å; F173-F187 HydrophobicContact CB-CD1 4.25Å; F173-F187 HydrophobicContact CB-CD2 3.58Å; F173-F187 HydrophobicContact CB-CE1 3.98Å; F173-F187 HydrophobicContact CB-CE2 3.27Å; F173-F187 HydrophobicContact CB-CG 4.06Å; F173-F187 HydrophobicContact CB-CZ 3.49Å; F173-F187 VanDerWaalsContact CB-CZ 3.49Å; F173-F187 HydrophobicContact CD1-CD2 4.15Å; F173-F187 HydrophobicContact CD1-CE2 4.07Å; F173-F187 HydrophobicContact CG-CD2 4.23Å; F173-F187 AromaticContact CG-CE2 3.83Å; F173-F187 HydrophobicContact CG-CE2 3.83Å; F173-F187 HydrophobicContact CG-CZ 4.38Å; F174-F187 AromaticContact CD1-CD1 3.65Å; F174-F187 HydrophobicContact CD1-CD1 3.65Å; F174-F187 AromaticContact CD1-CE1 3.65Å; F174-F187 HydrophobicContact CD1-CE1 3.65Å; F174-F187 HydrophobicContact CD2-CE1 4.35Å; F174-F187 AromaticContact CE1-CD1 3.67Å; F174-F187 HydrophobicContact CE1-CD1 3.67Å; F174-F187 AromaticContact CE1-CE1 3.42Å; F174-F187 HydrophobicContact CE1-CE1 3.42Å; F174-F187 VanDerWaalsContact CE1-CE1 3.42Å; F174-F187 HydrophobicContact CE2-CE1 4.17Å; F174-F187 HydrophobicContact CG-CD1 4.37Å; F174-F187 HydrophobicContact CG-CE1 4.12Å; F174-F187 HydrophobicContact CZ-CD1 4.41Å; F174-F187 AromaticContact CZ-CE1 3.7Å; F174-F187 HydrophobicContact CZ-CE1 3.7Å; Y185-F187 HydrophobicContact CD1-CB 4.5Å; Y185-F187 HydrophobicContact CE1-CB 3.72Å; F187-P189 HydrophobicContact CE1-CG 4.3Å; F187-V221 CarbonylContact O-C 3.58Å; F187-V221 WeakPolarHBondContact O-CA 3.26Å; F187-V221 WeakPolarHBondContact O-CG2 3.21Å; F187-L222 HydrophobicContact CB-CB 4.22Å; F187-L222 PolarHBondContact O-N 3.12Å
188I97.8Very high90.2Very high0 Ų052.4 Ų52.40%028%0.283CS..EExtended strand (participates in β ladder)trans-108.6112.5174.7-65.9173.1000108.5Y20 L22 L27 P165 V166 T167 L190 I193 C219 K220 V221Y20-I188 HydrophobicContact CD1-CD1 3.78Å; Y20-I188 HydrophobicContact CE1-CD1 3.8Å; L22-I188 HydrophobicContact CD1-CD1 4.26Å; L27-I188 HydrophobicContact CD1-CD1 4.48Å; P165-I188 HydrophobicContact CB-CD1 3.55Å; P165-I188 HydrophobicContact CB-CG1 4.02Å; P165-I188 HydrophobicContact CG-CD1 3.98Å; V166-I188 PolarHBondContact O-N 3.2Å; T167-I188 WeakPolarHBondContact CA-O 3.41Å; T167-I188 VanDerWaalsContact CB-O 3.26Å; T167-I188 WeakPolarHBondContact CB-O 3.4Å; T167-I188 PolarHBondContact OG1-O 3.33Å; I188-L190 PolarHBondContact O-N 2.8Å; I188-L190 VanDerWaalsContact O-N 3.13Å; I188-I193 HydrophobicContact CG2-CD1 3.87Å; I188-I193 HydrophobicContact CG2-CG1 3.68Å; I188-C219 HydrophobicContact CG2-CB 4.24Å; I188-K220 WeakPolarHBondContact CG2-O 3.44Å; I188-V221 HydrophobicContact CG1-CB 4.31Å; I188-V221 HydrophobicContact CG1-CG2 4.22Å
189P96.6Very high90.5Very high3 Ų357.8 Ų57.82%0.01931%0.307CS..EExtended strand (participates in β ladder)trans-53.1122.2170.4-28.236.9000110.9W7 F17 F174 F187 S191 S192 K220W7-P189 HydrophobicContact CH2-CB 3.55Å; W7-P189 HydrophobicContact CH2-CG 4.42Å; W7-P189 HydrophobicContact CZ2-CB 3.8Å; F17-P189 HydrophobicContact CD1-CG 4.08Å; F17-P189 HydrophobicContact CE1-CG 3.4Å; F17-P189 VanDerWaalsContact CE1-CG 3.4Å; F17-P189 HydrophobicContact CZ-CG 4.13Å; F174-P189 HydrophobicContact CE1-CG 4.49Å; F174-P189 HydrophobicContact CZ-CG 4.5Å; F187-P189 HydrophobicContact CE1-CG 4.3Å; P189-S191 PolarHBondContact O-N 3.48Å; P189-S192 VanDerWaalsContact O-CB 3.3Å; P189-S192 WeakPolarHBondContact O-CB 3.44Å; P189-S192 PolarHBondContact O-N 3.29Å; P189-S192 PolarHBondContact O-OG 3.46Å; P189-K220 WeakPolarHBondContact CD-O 3.49Å
190L95.5Very high90.9Very high5 Ų558.3 Ų58.33%0.02631%0.305CS..G310 helixtrans-57.9-37.6-173.9179.860.4000112.3F34 L37 T167 S168 I188 S192 I193F34-L190 HydrophobicContact CB-CD2 4.04Å; F34-L190 HydrophobicContact CD2-CD1 3.93Å; F34-L190 HydrophobicContact CD2-CD2 3.96Å; F34-L190 HydrophobicContact CE2-CD1 4.45Å; F34-L190 HydrophobicContact CG-CD2 4.42Å; L37-L190 HydrophobicContact CB-CD2 4.15Å; L37-L190 HydrophobicContact CD2-CB 4.17Å; L37-L190 HydrophobicContact CD2-CD2 3.46Å; L37-L190 VanDerWaalsContact CD2-CD2 3.46Å; L37-L190 HydrophobicContact CD2-CG 3.46Å; L37-L190 VanDerWaalsContact CD2-CG 3.46Å; L37-L190 HydrophobicContact CG-CD2 4.42Å; T167-L190 HydrophobicContact CG2-CD1 4.1Å; T167-L190 WeakPolarHBondContact OG1-CA 3.29Å; T167-L190 PolarHBondContact OG1-N 2.91Å; S168-L190 PolarHBondContact O-N 2.82Å; I188-L190 PolarHBondContact O-N 2.8Å; I188-L190 VanDerWaalsContact O-N 3.13Å; L190-S192 PolarHBondContact O-N 3Å; L190-S192 VanDerWaalsContact O-N 3.08Å; L190-I193 HydrophobicContact CD1-CD1 4.19Å; L190-I193 PolarHBondContact O-N 3.26Å; L190-I193 VanDerWaalsContact O-N 3.07Å
191S92.9Very high91.3Very high47 Ų4760.2 Ų60.233%0.32933%0.325SS..G310 helixtrans-64-12.8176.5690000114.4P189P189-S191 PolarHBondContact O-N 3.48Å
192S94.6Very high91.9Very high18 Ų1858.5 Ų58.513%0.12632%0.321CS..G310 helixtrans-87.4-13.4176.177.80000113.4P189 L190 L194 C219 K220P189-S192 VanDerWaalsContact O-CB 3.3Å; P189-S192 WeakPolarHBondContact O-CB 3.44Å; P189-S192 PolarHBondContact O-N 3.29Å; P189-S192 PolarHBondContact O-OG 3.46Å; L190-S192 PolarHBondContact O-N 3Å; L190-S192 VanDerWaalsContact O-N 3.08Å; S192-L194 PolarHBondContact O-N 2.98Å; S192-C219 WeakPolarHBondContact O-CA 3.45Å; S192-C219 WeakPolarHBondContact O-CB 3.26Å; S192-K220 PolarHBondContact OG-N 3.38Å; S192-K220 PolarHBondContact OG-O 3.28Å
193I94.5Very high92.3Very high5 Ų554.4 Ų54.43%0.02630%0.302CS..  trans-80.398.3175.9-56.8-176.5000108L22 L27 F66 T167 I188 L190 I217 C219L22-I193 HydrophobicContact CD2-CD1 4.37Å; L27-I193 HydrophobicContact CD2-CD1 4.17Å; F66-I193 HydrophobicContact CE1-CG2 4.16Å; T167-I193 HydrophobicContact CG2-CD1 4.12Å; I188-I193 HydrophobicContact CG2-CD1 3.87Å; I188-I193 HydrophobicContact CG2-CG1 3.68Å; L190-I193 HydrophobicContact CD1-CD1 4.19Å; L190-I193 PolarHBondContact O-N 3.26Å; L190-I193 VanDerWaalsContact O-N 3.07Å; I193-I217 HydrophobicContact CG2-CG2 3.93Å; I193-C219 HydrophobicContact CG1-CB 4.18Å
194L84.5Confident92.5Very high111 Ų11151.1 Ų51.158%0.58129%0.289SS*.  trans-84.5146.5178.2-57179.1000110.5S192 D196 I217S192-L194 PolarHBondContact O-N 2.98Å; L194-D196 PolarHBondContact O-N 2.85Å; L194-I217 VanDerWaalsContact O-CG2 3.31Å; L194-I217 WeakPolarHBondContact O-CG2 3.42Å
195L83.4Confident92.6Very high58 Ų5849.4 Ų49.430%0.30428%0.282SS..SBendtrans-73.737.3176.8-75175.8000113.7Y58 F62 K65Y58-L195 HydrophobicContact CE2-CD1 4.05Å; F62-L195 HydrophobicContact CB-CD2 4.27Å; F62-L195 HydrophobicContact CD1-CD2 3.62Å; F62-L195 HydrophobicContact CD1-CG 4.44Å; F62-L195 HydrophobicContact CD2-CD1 4.06Å; F62-L195 HydrophobicContact CD2-CD2 3.69Å; F62-L195 HydrophobicContact CD2-CG 4.22Å; F62-L195 HydrophobicContact CE1-CD2 3.74Å; F62-L195 HydrophobicContact CE1-CG 4.08Å; F62-L195 HydrophobicContact CE2-CD1 3.64Å; F62-L195 HydrophobicContact CE2-CD2 3.78Å; F62-L195 HydrophobicContact CE2-CG 3.82Å; F62-L195 HydrophobicContact CG-CD2 3.59Å; F62-L195 HydrophobicContact CZ-CD1 4.06Å; F62-L195 HydrophobicContact CZ-CD2 3.82Å; F62-L195 HydrophobicContact CZ-CG 3.76Å; K65-L195 HydrophobicContact CB-CD2 4.47Å; K65-L195 WeakPolarHBondContact CE-O 3.33Å; K65-L195 HydrophobicContact CG-CD2 3.99Å
196D89.6Confident92.3Very high86 Ų8651.7 Ų51.746%0.4630%0.296SS..  trans-120.7126.1179.3-174.234.1000110.5L194 K198L194-D196 PolarHBondContact O-N 2.85Å; D196-K198 WeakPolarHBondContact OD2-CE 3.4Å
197C93.8Very high92.1Very high20 Ų2050.4 Ų50.414%0.13529%0.288CS..EExtended strand (participates in β ladder)trans-105.9123.5178-67.50000107.9K65 T68 C69 Y215 F216K65-C197 HydrophobicContact CD-CB 4.48Å; K65-C197 WeakPolarHBondContact CD-SG 3.43Å; T68-C197 HydrophobicContact CG2-CB 4.36Å; C69-C197 PolarHBondContact SG-SG 3.26Å; C197-Y215 HydrophobicContact CB-CD1 4.32Å; C197-F216 WeakPolarHBondContact CA-O 3.35Å
198K94.7Very high91.8Very high95 Ų9558 Ų5841%0.41332%0.32SS..EExtended strand (participates in β ladder)trans-105138.9177.3-64.4-179.1-171.3162.50109.9D196 Y215 F216 S218D196-K198 WeakPolarHBondContact OD2-CE 3.4Å; K198-Y215 CarbonylContact O-C 3.58Å; K198-Y215 VanDerWaalsContact O-CA 3.26Å; K198-Y215 WeakPolarHBondContact O-CA 3.48Å; K198-F216 HydrophobicContact CB-CD1 4.26Å; K198-F216 HydrophobicContact CB-CE1 3.7Å; K198-F216 HydrophobicContact CB-CE2 4.25Å; K198-F216 HydrophobicContact CB-CZ 3.71Å; K198-F216 HydrophobicContact CD-CE2 4.46Å; K198-F216 HydrophobicContact CD-CZ 4.2Å; K198-F216 PolarHBondContact N-O 3.04Å; K198-F216 VanDerWaalsContact O-CD1 3.23Å; K198-F216 WeakPolarHBondContact O-CD1 3.4Å; K198-F216 PolarHBondContact O-N 3.02Å; K198-S218 WeakPolarHBondContact CD-OG 3.08Å; K198-S218 PolarHBondContact NZ-OG 2.89Å; K198-S218 VanDerWaalsContact NZ-OG 3.14Å
199Q94.5Very high91.4Very high130 Ų13065 Ų6561%0.60736%0.357SS*.EExtended strand (participates in β ladder)trans-76.9128.4175.2-168.4173.6-10.400109.3C214 Y215Q199-C214 CarbonylContact C-O 3.44Å; Q199-C214 WeakPolarHBondContact CA-O 3.36Å; Q199-Y215 HydrophobicContact CB-CD1 3.94Å; Q199-Y215 HydrophobicContact CB-CE1 3.67Å; Q199-Y215 HydrophobicContact CG-CD1 4.47Å; Q199-Y215 HydrophobicContact CG-CE1 4.14Å
200R91.7Very high91Very high65 Ų6570.9 Ų70.925%0.24539%0.388CS..  trans-80.4131174.1-163.4-176.3-87170.6-1.1109.5E21 P202 C214 F216E21-R200 IonicContact OE2-CZ 3.3Å; E21-R200 IonicContact OE2-NE 3.03Å; E21-R200 PolarHBondContact OE2-NE 3.02Å; E21-R200 IonicContact OE2-NH2 3.53Å; E21-R200 PolarHBondContact OE2-NH2 3.41Å; R200-P202 WeakPolarHBondContact CG-O 3.39Å; R200-C214 HydrophobicContact CB-CB 4.2Å; R200-C214 PolarHBondContact N-O 3.07Å; R200-F216 HydrophobicContact CB-CD1 4.05Å; R200-F216 HydrophobicContact CB-CE1 4.3Å
201S90Very high90.5Very high114 Ų11474 Ų7480%0.79742%0.421SS*.SBendtrans-134.5116.9172-171.40000109.6
202P90.2Very high90.1Very high105 Ų10573.3 Ų73.368%0.68242%0.419SS*.SBendcis-71.8157-0.231.6-35.7000112.9R200R200-P202 WeakPolarHBondContact CG-O 3.39Å
203P91Very high89.8Confident55 Ų5576.1 Ų76.136%0.35744%0.437SS..PPolyproline II helixtrans-62.1155173.627.5-35.2000111.6C207 K208 C214P203-C207 HydrophobicContact CB-CB 4.31Å; P203-K208 HydrophobicContact CG-CB 4.18Å; P203-C214 HydrophobicContact CB-CB 3.6Å
204C91.1Very high89.8Confident23 Ų2376 Ų7616%0.15544%0.436CS..PPolyproline II helixtrans-64.9163.4173.678.10000111.5H23 V206 C207 K208 C214H23-C204 PolarHBondContact NE2-SG 3.01Å; H23-C204 VanDerWaalsContact NE2-SG 3.4Å; C204-V206 VanDerWaalsContact C-N 3.3Å; C204-V206 PolarHBondContact O-N 3.23Å; C204-C207 PolarHBondContact O-N 3.4Å; C204-C207 PolarHBondContact SG-N 3.03Å; C204-K208 VanDerWaalsContact O-CB 3.24Å; C204-K208 WeakPolarHBondContact O-CB 3.11Å; C204-K208 PolarHBondContact O-N 3.3Å; C204-C214 PolarHBondContact N-SG 3.28Å
205S90.8Very high90.4Very high57 Ų5774 Ų7440%0.39942%0.421SS..Hα-helixtrans-54.3-44.3-179.650.20000112.8K208 L209 P345S205-K208 PolarHBondContact O-N 3.31Å; S205-L209 VanDerWaalsContact O-CG 3.25Å; S205-L209 WeakPolarHBondContact O-CG 3.39Å; S205-L209 PolarHBondContact O-N 3.49Å; S205-P345 WeakPolarHBondContact OG-CG 3.39Å
206V88.6Confident91Very high58 Ų5872.1 Ų72.135%0.35241%0.411SS..Hα-helixtrans-64.3-51.4179.9-179.20000111.5C204 K208 L209 N210C204-V206 VanDerWaalsContact C-N 3.3Å; C204-V206 PolarHBondContact O-N 3.23Å; V206-K208 VanDerWaalsContact C-N 3.31Å; V206-K208 PolarHBondContact O-N 2.87Å; V206-L209 PolarHBondContact O-N 3.35Å; V206-N210 PolarHBondContact O-N 2.89Å; V206-N210 VanDerWaalsContact O-N 3.1Å
207C90.9Very high91.3Very high3 Ų368.1 Ų68.12%0.0239%0.389CS..Hα-helixtrans-64.2-37.2178.2-68.70000112.1P203 C204 N210 G211 A212 C214P203-C207 HydrophobicContact CB-CB 4.31Å; C204-C207 PolarHBondContact O-N 3.4Å; C204-C207 PolarHBondContact SG-N 3.03Å; C207-N210 PolarHBondContact O-N 2.96Å; C207-G211 PolarHBondContact O-N 3.44Å; C207-A212 PolarHBondContact O-N 3.39Å; C207-A212 VanDerWaalsContact O-N 3.1Å; C207-C214 HydrophobicContact CB-CB 3.67Å
208K90.4Very high91.4Very high160 Ų16068.7 Ų68.770%0.69639%0.393SS*.Hα-helixtrans-61.5-43.1176-173.8-179.1178.7-176.90111.4P203 C204 S205 V206 G211P203-K208 HydrophobicContact CG-CB 4.18Å; C204-K208 VanDerWaalsContact O-CB 3.24Å; C204-K208 WeakPolarHBondContact O-CB 3.11Å; C204-K208 PolarHBondContact O-N 3.3Å; S205-K208 PolarHBondContact O-N 3.31Å; V206-K208 VanDerWaalsContact C-N 3.31Å; V206-K208 PolarHBondContact O-N 2.87Å; K208-G211 PolarHBondContact O-N 2.56Å
209L90.7Very high91.5Very high148 Ų14864.6 Ų64.678%0.77538%0.377SS*.Hα-helixtrans-64.5-39.9176.9-73.3166.5000112.1S205 V206 G211S205-L209 VanDerWaalsContact O-CG 3.25Å; S205-L209 WeakPolarHBondContact O-CG 3.39Å; S205-L209 PolarHBondContact O-N 3.49Å; V206-L209 PolarHBondContact O-N 3.35Å; L209-G211 VanDerWaalsContact C-N 3.31Å; L209-G211 PolarHBondContact O-N 2.65Å
210N87.4Confident91.6Very high125 Ų12563.7 Ų63.767%0.66837%0.371SS*.Hα-helixtrans-81.9-4.8-179.4-67.4-17.1000114.1V206 C207 A212V206-N210 PolarHBondContact O-N 2.89Å; V206-N210 VanDerWaalsContact O-N 3.1Å; C207-N210 PolarHBondContact O-N 2.96Å; N210-A212 HydrophobicContact CB-CB 4.36Å; N210-A212 PolarHBondContact O-N 3.08Å
211G86.2Confident91.9Very high70 Ų7061.4 Ų61.472%0.72236%0.364SS*.THydrogen-bonded Turntrans6316.8-173.400000114.2C207 K208 L209C207-G211 PolarHBondContact O-N 3.44Å; K208-G211 PolarHBondContact O-N 2.56Å; L209-G211 VanDerWaalsContact C-N 3.31Å; L209-G211 PolarHBondContact O-N 2.65Å
212A84Confident92.1Very high33 Ų3356.5 Ų56.527%0.27333%0.329SS..  trans-89.7145.2-175.600000111.4C207 N210 C214C207-A212 PolarHBondContact O-N 3.39Å; C207-A212 VanDerWaalsContact O-N 3.1Å; N210-A212 HydrophobicContact CB-CB 4.36Å; N210-A212 PolarHBondContact O-N 3.08Å; A212-C214 PolarHBondContact O-N 2.82Å
213P88.5Confident92.3Very high77 Ų7753.3 Ų53.350%0.531%0.306SS..  trans-55.8126.6168-2635.8000111.5Y215P213-Y215 HydrophobicContact CB-CD2 3.9Å; P213-Y215 HydrophobicContact CB-CE2 3.34Å; P213-Y215 HydrophobicContact CG-CE2 4.41Å
214C94.9Very high92.1Very high2 Ų253.4 Ų53.41%0.01430%0.304CS..  trans-92.4110.3179-170.70000109.3H23 Q199 R200 P203 C204 C207 A212H23-C214 VanDerWaalsContact CE1-SG 3.58Å; Q199-C214 CarbonylContact C-O 3.44Å; Q199-C214 WeakPolarHBondContact CA-O 3.36Å; R200-C214 HydrophobicContact CB-CB 4.2Å; R200-C214 PolarHBondContact N-O 3.07Å; P203-C214 HydrophobicContact CB-CB 3.6Å; C204-C214 PolarHBondContact N-SG 3.28Å; C207-C214 HydrophobicContact CB-CB 3.67Å; A212-C214 PolarHBondContact O-N 2.82Å
215Y96Very high92.1Very high70 Ų7057.4 Ų57.428%0.27533%0.332SS..EExtended strand (participates in β ladder)trans-117.5148.3176.3-68.4-84.1000111.5H23 T68 C69 C197 K198 Q199 P213H23-Y215 PolarHBondContact ND1-O 2.86Å; T68-Y215 HydrophobicContact CG2-CD2 3.81Å; T68-Y215 HydrophobicContact CG2-CE2 4.4Å; T68-Y215 HydrophobicContact CG2-CG 3.93Å; C69-Y215 WeakPolarHBondContact CA-O 3.27Å; C69-Y215 WeakPolarHBondContact CB-O 3.3Å; C69-Y215 VanDerWaalsContact SG-C 3.58Å; C197-Y215 HydrophobicContact CB-CD1 4.32Å; K198-Y215 CarbonylContact O-C 3.58Å; K198-Y215 VanDerWaalsContact O-CA 3.26Å; K198-Y215 WeakPolarHBondContact O-CA 3.48Å; Q199-Y215 HydrophobicContact CB-CD1 3.94Å; Q199-Y215 HydrophobicContact CB-CE1 3.67Å; Q199-Y215 HydrophobicContact CG-CD1 4.47Å; Q199-Y215 HydrophobicContact CG-CE1 4.14Å; P213-Y215 HydrophobicContact CB-CD2 3.9Å; P213-Y215 HydrophobicContact CB-CE2 3.34Å; P213-Y215 HydrophobicContact CG-CE2 4.41Å
216F96Very high92.1Very high18 Ų1854.9 Ų54.98%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-133.4158.2173.468.8-83.2000111.5E21 L22 H23 C69 C197 K198 R200 S218E21-F216 HydrophobicContact CB-CB 4.16Å; E21-F216 HydrophobicContact CB-CD2 3.63Å; E21-F216 HydrophobicContact CB-CE2 4.23Å; E21-F216 HydrophobicContact CB-CG 4.05Å; E21-F216 HydrophobicContact CG-CD2 3.52Å; E21-F216 HydrophobicContact CG-CE2 3.58Å; E21-F216 HydrophobicContact CG-CG 4.19Å; E21-F216 HydrophobicContact CG-CZ 4.3Å; E21-F216 WeakPolarHBondContact OE1-CZ 3.18Å; L22-F216 WeakPolarHBondContact O-CA 3.4Å; H23-F216 HydrophobicContact CB-CB 3.87Å; C69-F216 VanDerWaalsContact SG-CA 3.56Å; C197-F216 WeakPolarHBondContact CA-O 3.35Å; K198-F216 HydrophobicContact CB-CD1 4.26Å; K198-F216 HydrophobicContact CB-CE1 3.7Å; K198-F216 HydrophobicContact CB-CE2 4.25Å; K198-F216 HydrophobicContact CB-CZ 3.71Å; K198-F216 HydrophobicContact CD-CE2 4.46Å; K198-F216 HydrophobicContact CD-CZ 4.2Å; K198-F216 PolarHBondContact N-O 3.04Å; K198-F216 VanDerWaalsContact O-CD1 3.23Å; K198-F216 WeakPolarHBondContact O-CD1 3.4Å; K198-F216 PolarHBondContact O-N 3.02Å; R200-F216 HydrophobicContact CB-CD1 4.05Å; R200-F216 HydrophobicContact CB-CE1 4.3Å; F216-S218 VanDerWaalsContact CE2-OG 3.26Å; F216-S218 WeakPolarHBondContact CE2-OG 3.35Å
217I96.7Very high92.2Very high3 Ų353.5 Ų53.52%0.01531%0.307CS..EExtended strand (participates in β ladder)trans-97.6122.8168.8-57.3172.6000107.8L22 K65 F66 C69 I193 L194L22-I217 HydrophobicContact CB-CB 4.28Å; L22-I217 HydrophobicContact CD2-CD1 4.41Å; L22-I217 PolarHBondContact N-O 2.82Å; L22-I217 PolarHBondContact O-N 3.27Å; K65-I217 HydrophobicContact CB-CD1 4.42Å; F66-I217 HydrophobicContact CD1-CD1 3.63Å; F66-I217 HydrophobicContact CE1-CD1 3.91Å; C69-I217 HydrophobicContact CB-CG1 4.18Å; I193-I217 HydrophobicContact CG2-CG2 3.93Å; L194-I217 VanDerWaalsContact O-CG2 3.31Å; L194-I217 WeakPolarHBondContact O-CG2 3.42Å
218S95.6Very high92.3Very high31 Ų3153.7 Ų53.722%0.21731%0.307CS..EExtended strand (participates in β ladder)trans-74.4125.1172.6-58.10000109.8K198 F216K198-S218 WeakPolarHBondContact CD-OG 3.08Å; K198-S218 PolarHBondContact NZ-OG 2.89Å; K198-S218 VanDerWaalsContact NZ-OG 3.14Å; F216-S218 VanDerWaalsContact CE2-OG 3.26Å; F216-S218 WeakPolarHBondContact CE2-OG 3.35Å
219C96.4Very high92.3Very high10 Ų1049.9 Ų49.97%0.06829%0.289CS..EExtended strand (participates in β ladder)trans-146.6-168.9174.364.40000111.4Y20 I188 S192 I193Y20-C219 PolarHBondContact N-O 3.46Å; Y20-C219 PolarHBondContact O-N 3.36Å; I188-C219 HydrophobicContact CG2-CB 4.24Å; S192-C219 WeakPolarHBondContact O-CA 3.45Å; S192-C219 WeakPolarHBondContact O-CB 3.26Å; I193-C219 HydrophobicContact CG1-CB 4.18Å
220K96.6Very high92.3Very high111 Ų11149.5 Ų49.548%0.48328%0.281SS..EExtended strand (participates in β ladder)trans-118.4144.8176-65.6-178.3-179.2-1780109.7F17 S18 I188 P189 S192F17-K220 HydrophobicContact CB-CB 4.23Å; F17-K220 HydrophobicContact CB-CD 4.18Å; F17-K220 HydrophobicContact CD1-CB 4.37Å; F17-K220 HydrophobicContact CG-CD 4.49Å; S18-K220 WeakPolarHBondContact O-CA 3.38Å; I188-K220 WeakPolarHBondContact CG2-O 3.44Å; P189-K220 WeakPolarHBondContact CD-O 3.49Å; S192-K220 PolarHBondContact OG-N 3.38Å; S192-K220 PolarHBondContact OG-O 3.28Å
221V97.1Very high92.5Very high16 Ų1643.7 Ų43.710%0.09725%0.25CS..EExtended strand (participates in β ladder)trans-119146.8171.269.20000109.4F17 S18 Y20 F187 I188 N223F17-V221 CarbonylContact C-O 3.59Å; F17-V221 VanDerWaalsContact CA-O 3.3Å; F17-V221 WeakPolarHBondContact CA-O 3.37Å; S18-V221 PolarHBondContact N-O 3.05Å; S18-V221 PolarHBondContact O-N 3.29Å; Y20-V221 HydrophobicContact CD2-CB 4.05Å; Y20-V221 HydrophobicContact CD2-CG1 3.87Å; Y20-V221 HydrophobicContact CG-CB 4.1Å; Y20-V221 HydrophobicContact CG-CG1 4.24Å; F187-V221 CarbonylContact O-C 3.58Å; F187-V221 WeakPolarHBondContact O-CA 3.26Å; F187-V221 WeakPolarHBondContact O-CG2 3.21Å; I188-V221 HydrophobicContact CG1-CB 4.31Å; I188-V221 HydrophobicContact CG1-CG2 4.22Å; V221-N223 PolarHBondContact O-N 3.31Å
222L96.1Very high92.4Very high11 Ų1147.1 Ų47.16%0.05825%0.245CC..EExtended strand (participates in β ladder)trans-56.5124.7171.2-17664.7000109.5I10 F17 F174 F187 N224I10-L222 HydrophobicContact CG2-CD1 4.42Å; F17-L222 HydrophobicContact CE1-CD1 4.47Å; F174-L222 HydrophobicContact CD1-CD1 3.87Å; F174-L222 HydrophobicContact CD1-CD2 4.17Å; F174-L222 HydrophobicContact CE1-CD1 4.16Å; F187-L222 HydrophobicContact CB-CB 4.22Å; F187-L222 PolarHBondContact O-N 3.12Å; L222-N224 PolarHBondContact O-N 3.08Å
223N94.1Very high92.3Very high39 Ų3947.7 Ų47.721%0.20924%0.241CC..  trans-81.1113.8-176.8-177.45.5000110.5E15 N16 S18 V221 S225 G226E15-N223 WeakPolarHBondContact O-CB 3.43Å; E15-N223 PolarHBondContact O-ND2 2.7Å; N16-N223 WeakPolarHBondContact O-CB 3.2Å; N16-N223 PolarHBondContact O-N 3.06Å; S18-N223 WeakPolarHBondContact OG-CB 3.46Å; V221-N223 PolarHBondContact O-N 3.31Å; N223-S225 PolarHBondContact O-N 3.28Å; N223-S225 PolarHBondContact OD1-N 3.42Å; N223-G226 PolarHBondContact ND2-N 2.92Å; N223-G226 PolarHBondContact O-N 3.23Å
224N87Confident91.9Very high57 Ų5745.2 Ų45.231%0.30522%0.224SC..THydrogen-bonded Turntrans-69.64.2176.9-68-16.3000114.1L222 Y229L222-N224 PolarHBondContact O-N 3.08Å; N224-Y229 VanDerWaalsContact CA-CD2 3.49Å; N224-Y229 HydrophobicContact CB-CD2 4.09Å; N224-Y229 HydrophobicContact CB-CE2 3.78Å; N224-Y229 WeakPolarHBondContact O-CD1 3.47Å; N224-Y229 WeakPolarHBondContact O-CE1 3.32Å; N224-Y229 WeakPolarHBondContact OD1-CE2 3.2Å
225S89.3Confident91.7Very high107 Ų10745.7 Ų45.775%0.74823%0.227SC*.THydrogen-bonded Turntrans-125.57.6169.5-570000112.6N223N223-S225 PolarHBondContact O-N 3.28Å; N223-S225 PolarHBondContact OD1-N 3.42Å
226G91.1Very high91.5Very high4 Ų442.4 Ų42.44%0.04121%0.214CC..SBendtrans-72166.8179.600000112.7E15 N223 F228 Y229E15-G226 WeakPolarHBondContact O-CA 3.49Å; N223-G226 PolarHBondContact ND2-N 2.92Å; N223-G226 PolarHBondContact O-N 3.23Å; G226-F228 PolarHBondContact O-N 3.02Å; G226-F228 VanDerWaalsContact O-N 3.15Å; G226-Y229 WeakPolarHBondContact O-CB 3.05Å; G226-Y229 PolarHBondContact O-N 3.03Å
227P92.3Very high91.2Very high29 Ų2941.6 Ų41.619%0.18821%0.21CC..G310 helixtrans-51.8-37.9179.7-31.237.9000114.6E15 N16 Y229 K230 F280E15-P227 HydrophobicContact CB-CG 4.08Å; N16-P227 WeakPolarHBondContact OD1-CD 3.38Å; P227-Y229 VanDerWaalsContact C-N 3.26Å; P227-Y229 PolarHBondContact O-N 2.97Å; P227-K230 WeakPolarHBondContact O-CB 3.27Å; P227-K230 VanDerWaalsContact O-CG 3.28Å; P227-K230 WeakPolarHBondContact O-CG 3.38Å; P227-K230 PolarHBondContact O-N 3.49Å; P227-F280 WeakPolarHBondContact O-CZ 3.41Å
228F92.6Very high91Very high6 Ų641.4 Ų41.43%0.02621%0.21CC..G310 helixtrans-67.7-23.9177.6-172.7-110.3000113.5L6 I10 N16 F174 I175 R177 G226 K230 L236 F239 F280L6-F228 HydrophobicContact CD1-CE2 4.12Å; L6-F228 HydrophobicContact CD1-CZ 4.33Å; I10-F228 HydrophobicContact CD1-CD1 4.05Å; I10-F228 HydrophobicContact CD1-CD2 4.28Å; I10-F228 HydrophobicContact CD1-CE1 3.87Å; I10-F228 HydrophobicContact CD1-CE2 4.12Å; I10-F228 HydrophobicContact CD1-CG 4.24Å; I10-F228 HydrophobicContact CD1-CZ 3.9Å; I10-F228 HydrophobicContact CG1-CD2 4.17Å; I10-F228 HydrophobicContact CG1-CE2 4.34Å; I10-F228 HydrophobicContact CG1-CG 4.27Å; N16-F228 VanDerWaalsContact OD1-CB 3.3Å; N16-F228 WeakPolarHBondContact OD1-CB 3.39Å; N16-F228 PolarHBondContact OD1-N 3.2Å; F174-F228 HydrophobicContact CB-CE1 4.11Å; F174-F228 WeakPolarHBondContact O-CE1 3.05Å; I175-F228 HydrophobicContact CD1-CZ 4.09Å; R177-F228 PolarHBondContact NH2-O 3.48Å; G226-F228 PolarHBondContact O-N 3.02Å; G226-F228 VanDerWaalsContact O-N 3.15Å; F228-K230 PolarHBondContact O-N 2.99Å; F228-L236 HydrophobicContact CE1-CD1 4.15Å; F228-L236 HydrophobicContact CE2-CD1 4.37Å; F228-L236 HydrophobicContact CZ-CD1 3.68Å; F228-F239 AromaticContact CE2-CE1 3.84Å; F228-F239 HydrophobicContact CE2-CE1 3.84Å; F228-F239 HydrophobicContact CE2-CZ 4.16Å; F228-F239 HydrophobicContact CZ-CE1 4.1Å; F228-F280 HydrophobicContact CD2-CD2 4.18Å; F228-F280 AromaticContact CD2-CE2 3.69Å; F228-F280 HydrophobicContact CD2-CE2 3.69Å; F228-F280 HydrophobicContact CD2-CZ 4.45Å; F228-F280 HydrophobicContact CE2-CD2 4.25Å; F228-F280 HydrophobicContact CE2-CE2 4.06Å
229Y89.8Confident90.9Very high80 Ų8040 Ų4031%0.31420%0.199SC..G310 helixtrans-73.5-12.6178.2-153.8-91.6000113N224 G226 P227 L231N224-Y229 VanDerWaalsContact CA-CD2 3.49Å; N224-Y229 HydrophobicContact CB-CD2 4.09Å; N224-Y229 HydrophobicContact CB-CE2 3.78Å; N224-Y229 WeakPolarHBondContact O-CD1 3.47Å; N224-Y229 WeakPolarHBondContact O-CE1 3.32Å; N224-Y229 WeakPolarHBondContact OD1-CE2 3.2Å; G226-Y229 WeakPolarHBondContact O-CB 3.05Å; G226-Y229 PolarHBondContact O-N 3.03Å; P227-Y229 VanDerWaalsContact C-N 3.26Å; P227-Y229 PolarHBondContact O-N 2.97Å; Y229-L231 VanDerWaalsContact C-N 3.26Å; Y229-L231 PolarHBondContact O-N 3.48Å
230K91.2Very high90.7Very high141 Ų14139.5 Ų39.561%0.61320%0.196SC*.G310 helixtrans-59.1-35.2176.8-68.4178.1179.61780112.9P227 F228 K232 F280 L284P227-K230 WeakPolarHBondContact O-CB 3.27Å; P227-K230 VanDerWaalsContact O-CG 3.28Å; P227-K230 WeakPolarHBondContact O-CG 3.38Å; P227-K230 PolarHBondContact O-N 3.49Å; F228-K230 PolarHBondContact O-N 2.99Å; K230-K232 PolarHBondContact O-N 3.35Å; K230-F280 HydrophobicContact CB-CZ 4.45Å; K230-L284 HydrophobicContact CB-CD2 4.02Å
231L90.8Very high90.4Very high3 Ų334.2 Ų34.22%0.01617%0.173CC..SBendtrans-81.3103.2176.5-169.770.1000109.2R177 Y229 M235 L236 F239 F280 L283 L284R177-L231 PolarHBondContact NH1-O 2.87Å; Y229-L231 VanDerWaalsContact C-N 3.26Å; Y229-L231 PolarHBondContact O-N 3.48Å; L231-M235 HydrophobicContact CD1-CB 3.68Å; L231-M235 HydrophobicContact CD1-CG 4.43Å; L231-M235 HydrophobicContact CG-CB 3.96Å; L231-L236 HydrophobicContact CD2-CD1 4.19Å; L231-F239 HydrophobicContact CD2-CB 3.43Å; L231-F239 VanDerWaalsContact CD2-CB 3.43Å; L231-F239 HydrophobicContact CD2-CD1 4.44Å; L231-F239 HydrophobicContact CD2-CD2 4.18Å; L231-F239 HydrophobicContact CD2-CG 3.78Å; L231-F280 HydrophobicContact CB-CD2 4.13Å; L231-F280 HydrophobicContact CB-CE2 3.48Å; L231-F280 VanDerWaalsContact CB-CE2 3.48Å; L231-F280 HydrophobicContact CB-CZ 3.96Å; L231-F280 HydrophobicContact CD2-CD2 4.04Å; L231-F280 HydrophobicContact CD2-CE2 4.21Å; L231-F280 HydrophobicContact CG-CE2 4.45Å; L231-L283 HydrophobicContact CD1-CB 3.79Å; L231-L283 HydrophobicContact CD2-CD1 4.38Å; L231-L284 HydrophobicContact CB-CD2 4.19Å; L231-L284 HydrophobicContact CD1-CD2 3.97Å; L231-L284 HydrophobicContact CD1-CG 4.4Å
232K84.9Confident90.1Very high141 Ų14133.6 Ų33.661%0.61317%0.169SC*.  trans-83.5163.4-174.4-64.5-171.7178.2-174.90112.6K230 M235 L236K230-K232 PolarHBondContact O-N 3.35Å; K232-M235 VanDerWaalsContact O-CB 3.31Å; K232-M235 WeakPolarHBondContact O-CB 3.48Å; K232-M235 PolarHBondContact O-N 2.86Å; K232-L236 PolarHBondContact O-N 3.08Å
233Y82.3Confident89.8Confident46 Ų4634 Ų3418%0.1817%0.172CC..THydrogen-bonded Turntrans-64.3143.2166.9-169.6-87.4000110.3I179 P237 F320 P369I179-Y233 HydrophobicContact CG1-CE1 4.04Å; Y233-P237 HydrophobicContact CD2-CG 4.01Å; Y233-P237 HydrophobicContact CE2-CG 3.66Å; Y233-F320 WeakPolarHBondContact OH-CD2 3.29Å; Y233-F320 WeakPolarHBondContact OH-CE2 3.33Å; Y233-P369 HydrophobicContact CE1-CB 3.87Å; Y233-P369 HydrophobicContact CE1-CG 4.1Å
234P79Confident89.2Confident24 Ų2432.8 Ų32.816%0.15617%0.169CC..THydrogen-bonded Turncis-87.96.50.834.9-36.1000115.5L236 P237 M289P234-L236 PolarHBondContact O-N 2.98Å; P234-P237 WeakPolarHBondContact O-CD 3.48Å; P234-M289 HydrophobicContact CB-CE 3.59Å; P234-M289 HydrophobicContact CB-CG 4.48Å; P234-M289 HydrophobicContact CB-SD 3.69Å; P234-M289 HydrophobicContact CG-CE 3.58Å; P234-M289 HydrophobicContact CG-CG 4.03Å; P234-M289 HydrophobicContact CG-SD 3.85Å
235M90.4Very high88.7Confident12 Ų1230.8 Ų30.86%0.05916%0.158CC..Hα-helixtrans-65.1-24.8-179.6-68.8-67.4-163.900114.3L231 K232 L238 F239 L283 F286 D288 M289 P292L231-M235 HydrophobicContact CD1-CB 3.68Å; L231-M235 HydrophobicContact CD1-CG 4.43Å; L231-M235 HydrophobicContact CG-CB 3.96Å; K232-M235 VanDerWaalsContact O-CB 3.31Å; K232-M235 WeakPolarHBondContact O-CB 3.48Å; K232-M235 PolarHBondContact O-N 2.86Å; M235-L238 WeakPolarHBondContact O-CB 3.4Å; M235-L238 PolarHBondContact O-N 3.07Å; M235-L238 HydrophobicContact SD-CD2 4.27Å; M235-F239 WeakPolarHBondContact O-CB 3.49Å; M235-F239 PolarHBondContact O-N 3.11Å; M235-L283 HydrophobicContact SD-CD2 4.39Å; M235-F286 HydrophobicContact CE-CB 3.55Å; M235-D288 WeakPolarHBondContact CE-O 3.25Å; M235-M289 HydrophobicContact SD-CG 3.74Å; M235-P292 HydrophobicContact CE-CG 4.14Å; M235-P292 HydrophobicContact SD-CG 4.31Å
236L91.4Very high87.5Confident1 Ų127 Ų271%0.00513%0.13CC..Hα-helixtrans-68.6-46-175.8-178.962000113.7I175 R177 F228 L231 K232 P234 L238 F239 A240I175-L236 HydrophobicContact CD1-CD1 3.9Å; I175-L236 HydrophobicContact CD1-CG 4.32Å; I175-L236 HydrophobicContact CG2-CG 3.99Å; I175-L236 WeakPolarHBondContact O-CD2 3.49Å; R177-L236 HydrophobicContact CG-CD2 4.2Å; F228-L236 HydrophobicContact CE1-CD1 4.15Å; F228-L236 HydrophobicContact CE2-CD1 4.37Å; F228-L236 HydrophobicContact CZ-CD1 3.68Å; L231-L236 HydrophobicContact CD2-CD1 4.19Å; K232-L236 PolarHBondContact O-N 3.08Å; P234-L236 PolarHBondContact O-N 2.98Å; L236-L238 VanDerWaalsContact C-N 3.3Å; L236-L238 PolarHBondContact O-N 3.34Å; L236-F239 HydrophobicContact CD1-CD1 3.86Å; L236-F239 WeakPolarHBondContact O-CB 3.44Å; L236-F239 PolarHBondContact O-N 2.94Å; L236-A240 PolarHBondContact O-N 3.09Å
237P91Very high86.1Confident1 Ų129.1 Ų29.11%0.00614%0.14CC..Hα-helixtrans-56.2-39.3166.8-30.934.5000114.5Y233 P234 A240 T241 I316Y233-P237 HydrophobicContact CD2-CG 4.01Å; Y233-P237 HydrophobicContact CE2-CG 3.66Å; P234-P237 WeakPolarHBondContact O-CD 3.48Å; P237-A240 WeakPolarHBondContact O-CB 3.36Å; P237-A240 PolarHBondContact O-N 3.18Å; P237-T241 PolarHBondContact O-N 3.07Å; P237-T241 VanDerWaalsContact O-N 3.08Å; P237-T241 PolarHBondContact O-OG1 3.44Å; P237-I316 HydrophobicContact CB-CB 4.32Å; P237-I316 HydrophobicContact CB-CG1 4.27Å; P237-I316 HydrophobicContact CB-CG2 3.88Å
238L92.2Very high84.9Confident0 Ų027.9 Ų27.90%013%0.131CC..Hα-helixtrans-63-46.7174.817760.1000110.3M235 L236 A240 T241 L242 L283 M289 P292 L293 I312 I316M235-L238 WeakPolarHBondContact O-CB 3.4Å; M235-L238 PolarHBondContact O-N 3.07Å; M235-L238 HydrophobicContact SD-CD2 4.27Å; L236-L238 VanDerWaalsContact C-N 3.3Å; L236-L238 PolarHBondContact O-N 3.34Å; L238-A240 VanDerWaalsContact C-N 3.31Å; L238-A240 PolarHBondContact O-N 3.37Å; L238-T241 WeakPolarHBondContact O-CB 3.43Å; L238-T241 PolarHBondContact O-N 3.49Å; L238-T241 VanDerWaalsContact O-N 3.13Å; L238-L242 HydrophobicContact CD1-CD1 4.04Å; L238-L242 HydrophobicContact CD1-CD2 4.1Å; L238-L242 HydrophobicContact CD1-CG 3.88Å; L238-L242 HydrophobicContact CG-CD1 3.98Å; L238-L242 HydrophobicContact CG-CG 4.2Å; L238-L242 VanDerWaalsContact O-CG 3.3Å; L238-L242 WeakPolarHBondContact O-CG 3.22Å; L238-L242 PolarHBondContact O-N 2.85Å; L238-L283 HydrophobicContact CD2-CD2 4.01Å; L238-L283 HydrophobicContact CG-CD2 4.45Å; L238-M289 HydrophobicContact CB-SD 4.17Å; L238-M289 HydrophobicContact CD2-CB 4.34Å; L238-M289 HydrophobicContact CD2-CG 4.14Å; L238-P292 HydrophobicContact CD2-CB 4.4Å; L238-P292 HydrophobicContact CD2-CG 4.01Å; L238-L293 HydrophobicContact CD1-CD2 3.8Å; L238-L293 HydrophobicContact CD2-CD2 4.44Å; L238-L293 HydrophobicContact CD2-CG 4.38Å; L238-I312 HydrophobicContact CD1-CG2 3.98Å; L238-I316 HydrophobicContact CB-CD1 4.37Å; L238-I316 HydrophobicContact CD1-CD1 4.3Å
239F94Very high83.7Confident0 Ų032 Ų320%016%0.161CC..Hα-helixtrans-52.4-47.9173.7161.7-96.2000112.6L6 I175 F228 L231 M235 L236 T241 L242 V243 I276 I279 F280 L283L6-F239 HydrophobicContact CD1-CE1 3.87Å; L6-F239 HydrophobicContact CD1-CZ 3.93Å; I175-F239 HydrophobicContact CD1-CD1 4.22Å; I175-F239 HydrophobicContact CD1-CE1 4.25Å; F228-F239 AromaticContact CE2-CE1 3.84Å; F228-F239 HydrophobicContact CE2-CE1 3.84Å; F228-F239 HydrophobicContact CE2-CZ 4.16Å; F228-F239 HydrophobicContact CZ-CE1 4.1Å; L231-F239 HydrophobicContact CD2-CB 3.43Å; L231-F239 VanDerWaalsContact CD2-CB 3.43Å; L231-F239 HydrophobicContact CD2-CD1 4.44Å; L231-F239 HydrophobicContact CD2-CD2 4.18Å; L231-F239 HydrophobicContact CD2-CG 3.78Å; M235-F239 WeakPolarHBondContact O-CB 3.49Å; M235-F239 PolarHBondContact O-N 3.11Å; L236-F239 HydrophobicContact CD1-CD1 3.86Å; L236-F239 WeakPolarHBondContact O-CB 3.44Å; L236-F239 PolarHBondContact O-N 2.94Å; F239-T241 VanDerWaalsContact C-N 3.31Å; F239-T241 PolarHBondContact O-N 3.43Å; F239-L242 PolarHBondContact O-N 2.88Å; F239-V243 HydrophobicContact CD2-CG2 3.9Å; F239-V243 HydrophobicContact CE1-CG2 4.31Å; F239-V243 HydrophobicContact CE2-CG2 3.52Å; F239-V243 HydrophobicContact CG-CG2 4.43Å; F239-V243 HydrophobicContact CZ-CG2 3.78Å; F239-V243 VanDerWaalsContact O-CG2 3.3Å; F239-V243 WeakPolarHBondContact O-CG2 3.33Å; F239-V243 PolarHBondContact O-N 3.36Å; F239-I276 HydrophobicContact CE2-CG2 4.11Å; F239-I276 HydrophobicContact CZ-CG2 3.78Å; F239-I279 HydrophobicContact CD2-CG2 3.95Å; F239-F280 HydrophobicContact CD2-CB 4.23Å; F239-F280 HydrophobicContact CD2-CD2 4.38Å; F239-F280 HydrophobicContact CE2-CB 3.76Å; F239-F280 HydrophobicContact CE2-CD2 4.11Å; F239-F280 HydrophobicContact CE2-CG 4.46Å; F239-F280 HydrophobicContact CZ-CD2 4.39Å; F239-L283 VanDerWaalsContact CA-CD1 3.49Å; F239-L283 HydrophobicContact CB-CD1 3.5Å; F239-L283 HydrophobicContact CD2-CD1 4.31Å; F239-L283 HydrophobicContact CG-CD1 4.43Å
240A92.2Very high83Confident0 Ų034.5 Ų34.50%018%0.18CC..Hα-helixtrans-56.6-46.4177.600000112.2I3 I175 L236 P237 L238 G244 Y319I3-A240 HydrophobicContact CD1-CB 3.42Å; I3-A240 VanDerWaalsContact CD1-CB 3.42Å; I3-A240 HydrophobicContact CG1-CB 4.24Å; I175-A240 HydrophobicContact CD1-CB 4.13Å; I175-A240 HydrophobicContact CG1-CB 4.01Å; I175-A240 HydrophobicContact CG2-CB 3.91Å; L236-A240 PolarHBondContact O-N 3.09Å; P237-A240 WeakPolarHBondContact O-CB 3.36Å; P237-A240 PolarHBondContact O-N 3.18Å; L238-A240 VanDerWaalsContact C-N 3.31Å; L238-A240 PolarHBondContact O-N 3.37Å; A240-G244 PolarHBondContact O-N 3.01Å; A240-Y319 HydrophobicContact CB-CD2 3.83Å; A240-Y319 HydrophobicContact CB-CE1 4.41Å; A240-Y319 HydrophobicContact CB-CE2 3.35Å
241T90.1Very high82.7Confident1 Ų128.4 Ų28.41%0.00615%0.154CC..Hα-helixtrans-63.6-41.5178.4-56.50000112P237 L238 F239 G244 T248 I251 I312 G315 I316P237-T241 PolarHBondContact O-N 3.07Å; P237-T241 VanDerWaalsContact O-N 3.08Å; P237-T241 PolarHBondContact O-OG1 3.44Å; L238-T241 WeakPolarHBondContact O-CB 3.43Å; L238-T241 PolarHBondContact O-N 3.49Å; L238-T241 VanDerWaalsContact O-N 3.13Å; F239-T241 VanDerWaalsContact C-N 3.31Å; F239-T241 PolarHBondContact O-N 3.43Å; T241-G244 PolarHBondContact O-N 3.2Å; T241-T248 HydrophobicContact CG2-CG2 4.01Å; T241-T248 PolarHBondContact O-OG1 3.29Å; T241-T248 VanDerWaalsContact O-OG1 3.05Å; T241-I251 HydrophobicContact CG2-CD1 3.7Å; T241-I312 HydrophobicContact CG2-CB 4.5Å; T241-I312 HydrophobicContact CG2-CG1 4.49Å; T241-I312 HydrophobicContact CG2-CG2 4.29Å; T241-G315 PolarHBondContact OG1-O 3.38Å; T241-I316 PolarHBondContact OG1-N 3.46Å
242L91.1Very high82.6Confident2 Ų233.4 Ų33.41%0.0118%0.177CC..Hα-helixtrans-75.6-33.5-178.5-62.8-176000114.2L238 F239 I251 L253 I279 W282 L283 I296L238-L242 HydrophobicContact CD1-CD1 4.04Å; L238-L242 HydrophobicContact CD1-CD2 4.1Å; L238-L242 HydrophobicContact CD1-CG 3.88Å; L238-L242 HydrophobicContact CG-CD1 3.98Å; L238-L242 HydrophobicContact CG-CG 4.2Å; L238-L242 VanDerWaalsContact O-CG 3.3Å; L238-L242 WeakPolarHBondContact O-CG 3.22Å; L238-L242 PolarHBondContact O-N 2.85Å; F239-L242 PolarHBondContact O-N 2.88Å; L242-I251 HydrophobicContact CD2-CB 4.49Å; L242-I251 HydrophobicContact CD2-CD1 4.15Å; L242-I251 HydrophobicContact CD2-CG2 3.84Å; L242-L253 HydrophobicContact CB-CD2 4.23Å; L242-L253 HydrophobicContact CD2-CD2 4.25Å; L242-I279 HydrophobicContact CB-CG2 3.97Å; L242-I279 HydrophobicContact CD1-CG2 4.43Å; L242-W282 HydrophobicContact CD1-CZ3 3.89Å; L242-L283 HydrophobicContact CD1-CD1 4.29Å; L242-L283 HydrophobicContact CD1-CD2 4.22Å; L242-I296 HydrophobicContact CD1-CD1 3.66Å; L242-I296 HydrophobicContact CD2-CD1 3.56Å; L242-I296 HydrophobicContact CG-CD1 4.26Å
243V90.1Very high82.9Confident19 Ų1927.6 Ų27.612%0.11515%0.153CC..Hα-helixtrans-63.4-39.8172.9171.60000110.1I3 F239 I276 I279I3-V243 HydrophobicContact CG2-CB 3.87Å; I3-V243 HydrophobicContact CG2-CG1 3.29Å; F239-V243 HydrophobicContact CD2-CG2 3.9Å; F239-V243 HydrophobicContact CE1-CG2 4.31Å; F239-V243 HydrophobicContact CE2-CG2 3.52Å; F239-V243 HydrophobicContact CG-CG2 4.43Å; F239-V243 HydrophobicContact CZ-CG2 3.78Å; F239-V243 VanDerWaalsContact O-CG2 3.3Å; F239-V243 WeakPolarHBondContact O-CG2 3.33Å; F239-V243 PolarHBondContact O-N 3.36Å; V243-I276 HydrophobicContact CG1-CD1 4.33Å; V243-I276 HydrophobicContact CG1-CG1 3.63Å; V243-I276 HydrophobicContact CG2-CG1 4.26Å; V243-I279 HydrophobicContact CB-CD1 4.47Å; V243-I279 HydrophobicContact CG2-CB 4.44Å; V243-I279 HydrophobicContact CG2-CD1 3.94Å; V243-I279 HydrophobicContact CG2-CG2 4.34Å
244G81.5Confident83.4Confident14 Ų1426 Ų2614%0.14415%0.148CC..  trans108.6127.2-178.700000111.3A240 T241 T248A240-G244 PolarHBondContact O-N 3.01Å; T241-G244 PolarHBondContact O-N 3.2Å; G244-T248 CarbonylContact C-O 3.56Å; G244-T248 WeakPolarHBondContact CA-O 3.39Å
245N74.6Confident84Confident16 Ų1631.4 Ų31.49%0.08617%0.171CC..  trans-123.5-167.3-179.8654.5000110.5I3 I247 T248 Y319I3-N245 HydrophobicContact CG1-CB 4.09Å; N245-I247 PolarHBondContact O-N 3.42Å; N245-I247 VanDerWaalsContact O-N 3.1Å; N245-I247 PolarHBondContact OD1-N 3.24Å; N245-I247 VanDerWaalsContact OD1-N 3.08Å; N245-T248 PolarHBondContact N-O 2.95Å; N245-T248 PolarHBondContact OD1-N 3.41Å; N245-T248 PolarHBondContact OD1-OG1 3.22Å; N245-Y319 WeakPolarHBondContact CB-OH 3.42Å; N245-Y319 WeakPolarHBondContact ND2-CE2 3.27Å; N245-Y319 PolarHBondContact ND2-OH 3.28Å
246D65.1Low84.1Confident27 Ų2735.5 Ų35.514%0.14419%0.192CC..SBendtrans-63.2-12.8180-86.3-2.5000113.2T90 R94T90-D246 HydrophobicContact CG2-CB 4.48Å; T90-D246 PolarHBondContact OG1-O 3.28Å; T90-D246 VanDerWaalsContact OG1-O 3.14Å; R94-D246 IonicContact CZ-OD2 2.95Å; R94-D246 IonicContact NH2-OD1 3.64Å; R94-D246 PolarHBondContact NH2-OD1 2.94Å; R94-D246 IonicContact NH2-OD2 2.72Å; R94-D246 PolarHBondContact NH2-OD2 3.19Å
247I61.8Low84.2Confident49 Ų4935.5 Ų35.525%0.25119%0.192SC..SBendtrans-107.1-42.8-179.1-59.5-162.2000112.7N245 D318N245-I247 PolarHBondContact O-N 3.42Å; N245-I247 VanDerWaalsContact O-N 3.1Å; N245-I247 PolarHBondContact OD1-N 3.24Å; N245-I247 VanDerWaalsContact OD1-N 3.08Å; I247-D318 WeakPolarHBondContact CD1-OD2 3.47Å
248T67.3Low84.2Confident2 Ų237.6 Ų37.61%0.01220%0.203CC..  trans-117.3122.8-169.357.20000109.9T241 G244 N245 I251 T311T241-T248 HydrophobicContact CG2-CG2 4.01Å; T241-T248 PolarHBondContact O-OG1 3.29Å; T241-T248 VanDerWaalsContact O-OG1 3.05Å; G244-T248 CarbonylContact C-O 3.56Å; G244-T248 WeakPolarHBondContact CA-O 3.39Å; N245-T248 PolarHBondContact N-O 2.95Å; N245-T248 PolarHBondContact OD1-N 3.41Å; N245-T248 PolarHBondContact OD1-OG1 3.22Å; T248-I251 HydrophobicContact CG2-CD1 4.48Å; T248-T311 HydrophobicContact CG2-CG2 3.69Å
249S67.5Low84.2Confident92 Ų9240.7 Ų40.764%0.64323%0.225SC*.  trans-131.9-9.7179.555.90000115.1
250N73.8Confident84.1Confident134 Ų13443.4 Ų43.472%0.71724%0.239SC*.  trans-130.529.6-166.9-62.9-36.3000114.2H252 Y300N250-H252 PolarHBondContact O-N 3.48Å; N250-Y300 PolarHBondContact O-OH 3.36Å
251I85.8Confident84Confident13 Ų1343.6 Ų43.67%0.06724%0.24CC..  trans-73.6123173.5-62164.8000108.8T241 L242 T248 I296 Y300 I312T241-I251 HydrophobicContact CG2-CD1 3.7Å; L242-I251 HydrophobicContact CD2-CB 4.49Å; L242-I251 HydrophobicContact CD2-CD1 4.15Å; L242-I251 HydrophobicContact CD2-CG2 3.84Å; T248-I251 HydrophobicContact CG2-CD1 4.48Å; I251-I296 HydrophobicContact CG2-CG2 3.69Å; I251-Y300 WeakPolarHBondContact CA-OH 3.38Å; I251-I312 HydrophobicContact CD1-CD1 4.46Å; I251-I312 HydrophobicContact CD1-CG1 3.7Å; I251-I312 HydrophobicContact CG1-CG1 4.4Å
252H88.5Confident84Confident107 Ų10751.1 Ų51.150%0.49528%0.275SS..  trans-64.2132.7172.9-69.6177.3000109N250 L299 Y300N250-H252 PolarHBondContact O-N 3.48Å; H252-L299 HydrophobicContact CB-CB 4.24Å; H252-L299 HydrophobicContact CB-CD1 3.96Å; H252-Y300 HydrophobicContact CB-CE2 3.92Å; H252-Y300 AromaticContact CG-CZ 3.74Å; H252-Y300 PolarHBondContact N-OH 3.07Å; H252-Y300 AromaticContact ND1-CE1 3.78Å; H252-Y300 AromaticContact ND1-CZ 3.9Å
253L91.5Very high84Confident20 Ų2055.4 Ų55.411%0.10530%0.301CS..  trans-109.4141-177.7-67.6-172.9000109.6L242 I257 R275 I279 L299L242-L253 HydrophobicContact CB-CD2 4.23Å; L242-L253 HydrophobicContact CD2-CD2 4.25Å; L253-I257 HydrophobicContact CB-CB 4.42Å; L253-I257 HydrophobicContact CB-CD1 3.91Å; L253-I257 HydrophobicContact CD1-CD1 4.16Å; L253-I257 HydrophobicContact CD1-CG2 4.06Å; L253-I257 HydrophobicContact CD2-CD1 4.19Å; L253-I257 HydrophobicContact CG-CD1 4.32Å; L253-R275 VanDerWaalsContact CD1-CZ 3.47Å; L253-I279 HydrophobicContact CD1-CD1 3.62Å; L253-I279 HydrophobicContact CD1-CG1 3.84Å; L253-L299 VanDerWaalsContact C-CD1 3.49Å
254P92.5Very high83.9Confident13 Ų1355 Ų558%0.08430%0.299CS..  trans-54.9145.1176.3-30.537000112.9I256 I257 W282 L295 I296 L299P254-I256 HydrophobicContact CB-CG2 4.02Å; P254-I256 PolarHBondContact O-N 2.96Å; P254-I257 WeakPolarHBondContact O-CB 3.23Å; P254-I257 PolarHBondContact O-N 2.89Å; P254-W282 HydrophobicContact CG-CH2 4.26Å; P254-W282 HydrophobicContact CG-CZ2 3.87Å; P254-L295 HydrophobicContact CG-CB 4.25Å; P254-I296 HydrophobicContact CG-CG1 4.39Å; P254-L299 HydrophobicContact CG-CD1 4.14Å
255E92Very high84.1Confident137 Ų13761.6 Ų61.664%0.6433%0.331SS*.Hα-helixtrans-58-26.6-174.1-17158.3-160.400113.8I257 N258 S259E255-I257 PolarHBondContact O-N 3.32Å; E255-N258 WeakPolarHBondContact O-CB 3.47Å; E255-N258 PolarHBondContact O-N 3.33Å; E255-N258 PolarHBondContact OE2-ND2 3.45Å; E255-S259 PolarHBondContact O-N 2.97Å
256I93Very high84.6Confident98 Ų9863.3 Ų63.350%0.50334%0.34SS..Hα-helixtrans-55.7-33.9172.2-168.8167.4000112.4P254 S259 L260P254-I256 HydrophobicContact CB-CG2 4.02Å; P254-I256 PolarHBondContact O-N 2.96Å; I256-S259 WeakPolarHBondContact O-CB 3.49Å; I256-S259 PolarHBondContact O-N 3.1Å; I256-L260 VanDerWaalsContact O-CG 3.29Å; I256-L260 WeakPolarHBondContact O-CG 3.3Å; I256-L260 PolarHBondContact O-N 3.26Å
257I92.3Very high85.3Confident0 Ų069.5 Ų69.50%037%0.368CS..Hα-helixtrans-68.9-40.2176.4-65.8171.4000110.3L253 P254 E255 S259 L260 I261 A278 I279 W282L253-I257 HydrophobicContact CB-CB 4.42Å; L253-I257 HydrophobicContact CB-CD1 3.91Å; L253-I257 HydrophobicContact CD1-CD1 4.16Å; L253-I257 HydrophobicContact CD1-CG2 4.06Å; L253-I257 HydrophobicContact CD2-CD1 4.19Å; L253-I257 HydrophobicContact CG-CD1 4.32Å; P254-I257 WeakPolarHBondContact O-CB 3.23Å; P254-I257 PolarHBondContact O-N 2.89Å; E255-I257 PolarHBondContact O-N 3.32Å; I257-S259 VanDerWaalsContact C-N 3.32Å; I257-S259 PolarHBondContact O-N 2.83Å; I257-L260 PolarHBondContact O-N 3.08Å; I257-I261 HydrophobicContact CG2-CD1 4.02Å; I257-I261 HydrophobicContact CG2-CG1 4.42Å; I257-I261 VanDerWaalsContact O-CG1 3.25Å; I257-I261 WeakPolarHBondContact O-CG1 3.17Å; I257-I261 PolarHBondContact O-N 3.38Å; I257-A278 HydrophobicContact CG2-CB 4.04Å; I257-I279 HydrophobicContact CD1-CG1 4.38Å; I257-I279 HydrophobicContact CG2-CG1 4.07Å; I257-W282 HydrophobicContact CD1-CB 4.45Å; I257-W282 HydrophobicContact CD1-CD2 3.72Å; I257-W282 HydrophobicContact CD1-CE3 3.68Å; I257-W282 HydrophobicContact CD1-CG 4.07Å; I257-W282 HydrophobicContact CD1-CZ3 4.19Å; I257-W282 HydrophobicContact CG1-CB 4.06Å; I257-W282 HydrophobicContact CG1-CD2 4.02Å; I257-W282 HydrophobicContact CG1-CE3 4.44Å; I257-W282 HydrophobicContact CG1-CG 3.83Å
258N90.4Very high86.3Confident45 Ų4575.2 Ų75.224%0.24140%0.399CS..Hα-helixtrans-59.9-44.9174-70.5-30000110.7E255 L260 I261 H262E255-N258 WeakPolarHBondContact O-CB 3.47Å; E255-N258 PolarHBondContact O-N 3.33Å; E255-N258 PolarHBondContact OE2-ND2 3.45Å; N258-L260 PolarHBondContact O-N 3.24Å; N258-I261 WeakPolarHBondContact O-CB 3.28Å; N258-I261 PolarHBondContact O-N 3.28Å; N258-H262 PolarHBondContact O-CD2 3.38Å; N258-H262 PolarHBondContact O-N 3.4Å
259S92.6Very high87.2Confident65 Ų6577.5 Ų77.546%0.45541%0.413SS..Hα-helixtrans-56.9-48.7173.1-173.30000111.8E255 I256 I257 I261 H262 T263E255-S259 PolarHBondContact O-N 2.97Å; I256-S259 WeakPolarHBondContact O-CB 3.49Å; I256-S259 PolarHBondContact O-N 3.1Å; I257-S259 VanDerWaalsContact C-N 3.32Å; I257-S259 PolarHBondContact O-N 2.83Å; S259-I261 VanDerWaalsContact C-N 3.27Å; S259-I261 PolarHBondContact O-N 3.06Å; S259-H262 PolarHBondContact O-N 3.48Å; S259-H262 VanDerWaalsContact O-N 3.12Å; S259-T263 WeakPolarHBondContact O-CG2 3.31Å; S259-T263 PolarHBondContact O-N 2.93Å; S259-T263 PolarHBondContact O-OG1 3.46Å; S259-T263 VanDerWaalsContact O-OG1 3.07Å
260L92.5Very high88.3Confident58 Ų5876 Ų7630%0.30440%0.403SS..Hα-helixtrans-61.7-31.9178.2-71.9171.9000113I256 I257 N258 S264 A278 W282I256-L260 VanDerWaalsContact O-CG 3.29Å; I256-L260 WeakPolarHBondContact O-CG 3.3Å; I256-L260 PolarHBondContact O-N 3.26Å; I257-L260 PolarHBondContact O-N 3.08Å; N258-L260 PolarHBondContact O-N 3.24Å; L260-S264 WeakPolarHBondContact O-CB 3.46Å; L260-S264 PolarHBondContact O-N 3.01Å; L260-A278 HydrophobicContact CB-CB 3.7Å; L260-W282 HydrophobicContact CD1-CB 4.08Å
261I90.8Very high89Confident3 Ų374.6 Ų74.62%0.01539%0.388CS..Hα-helixtrans-68-43.1174-69.1166.8000110.7I257 N258 S259 Y271 R274 R275 A278I257-I261 HydrophobicContact CG2-CD1 4.02Å; I257-I261 HydrophobicContact CG2-CG1 4.42Å; I257-I261 VanDerWaalsContact O-CG1 3.25Å; I257-I261 WeakPolarHBondContact O-CG1 3.17Å; I257-I261 PolarHBondContact O-N 3.38Å; N258-I261 WeakPolarHBondContact O-CB 3.28Å; N258-I261 PolarHBondContact O-N 3.28Å; S259-I261 VanDerWaalsContact C-N 3.27Å; S259-I261 PolarHBondContact O-N 3.06Å; I261-Y271 HydrophobicContact CD1-CE2 4.49Å; I261-Y271 HydrophobicContact CG2-CD2 4.11Å; I261-Y271 HydrophobicContact CG2-CE2 3.88Å; I261-R274 HydrophobicContact CG2-CB 4.1Å; I261-R274 WeakPolarHBondContact O-CD 3.34Å; I261-R275 HydrophobicContact CD1-CB 3.99Å; I261-R275 HydrophobicContact CD1-CG 4.11Å; I261-R275 HydrophobicContact CG1-CB 4.45Å; I261-A278 HydrophobicContact CG1-CB 3.62Å
262H89.4Confident89.1Confident160 Ų16079 Ų7974%0.74141%0.405SS*.Hα-helixtrans-72.2-34.4-179.3-73.4-63.2000113N258 S259N258-H262 PolarHBondContact O-CD2 3.38Å; N258-H262 PolarHBondContact O-N 3.4Å; S259-H262 PolarHBondContact O-N 3.48Å; S259-H262 VanDerWaalsContact O-N 3.12Å
263T90.3Very high89.3Confident92 Ų9274.6 Ų74.656%0.56438%0.384SS*.THydrogen-bonded Turntrans-9512.2179.165.40000113.4S259 D265S259-T263 WeakPolarHBondContact O-CG2 3.31Å; S259-T263 PolarHBondContact O-N 2.93Å; S259-T263 PolarHBondContact O-OG1 3.46Å; S259-T263 VanDerWaalsContact O-OG1 3.07Å; T263-D265 PolarHBondContact O-N 3.09Å
264S88Confident89.3Confident9 Ų976.3 Ų76.36%0.06339%0.389CS..  trans-65.8134.1-177.2-177.90000111.7L260 L266L260-S264 WeakPolarHBondContact O-CB 3.46Å; L260-S264 PolarHBondContact O-N 3.01Å; S264-L266 PolarHBondContact O-N 3.41Å; S264-L266 VanDerWaalsContact O-N 3.11Å; S264-L266 PolarHBondContact OG-N 3.08Å
265D86.5Confident89.3Confident154 Ų15477.9 Ų77.982%0.82439%0.394SS*.SBendtrans-64.4-13172.7-59.4-36000112.9T263 Q267T263-D265 PolarHBondContact O-N 3.09Å; D265-Q267 PolarHBondContact O-N 3.27Å
266L85.7Confident89.4Confident52 Ų5271.5 Ų71.527%0.27236%0.364SS..  trans-84.247.5178.6-56.8178.8000112.4S264 N268 T269 R274 H277S264-L266 PolarHBondContact O-N 3.41Å; S264-L266 VanDerWaalsContact O-N 3.11Å; S264-L266 PolarHBondContact OG-N 3.08Å; L266-N268 VanDerWaalsContact C-N 3.27Å; L266-N268 PolarHBondContact O-N 3.29Å; L266-T269 HydrophobicContact CB-CG2 3.86Å; L266-T269 WeakPolarHBondContact CB-OG1 3.28Å; L266-T269 WeakPolarHBondContact O-CB 3.4Å; L266-T269 PolarHBondContact O-N 3.1Å; L266-T269 PolarHBondContact O-OG1 3.18Å; L266-R274 HydrophobicContact CB-CG 4.34Å; L266-H277 HydrophobicContact CD1-CB 3.84Å
267Q78.1Confident89.4Confident156 Ų15669.1 Ų69.173%0.72935%0.35SS*.THydrogen-bonded Turntrans-56.4-36.5-171.3-66.2-175-5.500113.8D265 T269D265-Q267 PolarHBondContact O-N 3.27Å; Q267-T269 VanDerWaalsContact C-N 3.28Å; Q267-T269 PolarHBondContact O-N 3.42Å
268N83.5Confident89.6Confident170 Ų17069.3 Ų69.391%0.90935%0.352SS*.THydrogen-bonded Turntrans-84.27.6-178.4-66.3-29.3000114.5L266L266-N268 VanDerWaalsContact C-N 3.27Å; L266-N268 PolarHBondContact O-N 3.29Å
269T87.2Confident89.8Confident49 Ų4967.1 Ų67.130%0.30134%0.34SS..SBendtrans-98.2168.1-179.468.90000112L266 Q267 R274L266-T269 HydrophobicContact CB-CG2 3.86Å; L266-T269 WeakPolarHBondContact CB-OG1 3.28Å; L266-T269 WeakPolarHBondContact O-CB 3.4Å; L266-T269 PolarHBondContact O-N 3.1Å; L266-T269 PolarHBondContact O-OG1 3.18Å; Q267-T269 VanDerWaalsContact C-N 3.28Å; Q267-T269 PolarHBondContact O-N 3.42Å; T269-R274 PolarHBondContact O-NH1 3.02Å; T269-R274 WeakPolarHBondContact OG1-CG 3.3Å
270S89.5Confident89.9Confident62 Ų6264.5 Ų64.543%0.43432%0.32SS..  trans-70.4158.1176.4740000111.5Y272 Q273 R274S270-Y272 PolarHBondContact O-N 3.33Å; S270-Y272 VanDerWaalsContact O-N 3.17Å; S270-Q273 WeakPolarHBondContact O-CB 3.48Å; S270-Q273 PolarHBondContact O-N 3.18Å; S270-Q273 WeakPolarHBondContact OG-CG 3.46Å; S270-Q273 PolarHBondContact OG-N 2.79Å; S270-R274 PolarHBondContact O-N 3.1Å
271Y89.4Confident90Very high104 Ų10464.6 Ų64.641%0.40832%0.321SS..Hα-helixtrans-50.5-40.6173.7172.5-93.5000112I261 Q273 R274 R275I261-Y271 HydrophobicContact CD1-CE2 4.49Å; I261-Y271 HydrophobicContact CG2-CD2 4.11Å; I261-Y271 HydrophobicContact CG2-CE2 3.88Å; Y271-Q273 VanDerWaalsContact C-N 3.35Å; Y271-Q273 PolarHBondContact O-N 3.46Å; Y271-R274 PolarHBondContact O-N 3.41Å; Y271-R275 HydrophobicContact CE1-CB 4.43Å; Y271-R275 WeakPolarHBondContact O-CB 3.39Å; Y271-R275 PolarHBondContact O-N 3.05Å
272Y87.5Confident90.2Very high106 Ų10664.8 Ų64.842%0.41632%0.322SS..Hα-helixtrans-60.8-40.2177.5-64.9-71.9000112.8R4 S270 R275 I276R4-Y272 PolarHBondContact NH1-OH 2.58Å; R4-Y272 VanDerWaalsContact NH1-OH 3.16Å; S270-Y272 PolarHBondContact O-N 3.33Å; S270-Y272 VanDerWaalsContact O-N 3.17Å; Y272-R275 PolarHBondContact O-N 3.11Å; Y272-I276 WeakPolarHBondContact O-CD1 3.5Å; Y272-I276 VanDerWaalsContact O-CG1 3.25Å; Y272-I276 WeakPolarHBondContact O-CG1 3.37Å; Y272-I276 PolarHBondContact O-N 3.46Å
273Q92Very high90.5Very high13 Ų1357.1 Ų57.16%0.06129%0.287CS..Hα-helixtrans-66.6-44.5177.7-64.9-61.8-67.200111.6G5 Y9 S270 Y271 R275 I276 H277G5-Q273 PolarHBondContact O-NE2 3.43Å; Y9-Q273 VanDerWaalsContact CB-OE1 3.23Å; Y9-Q273 VanDerWaalsContact N-OE1 3.08Å; S270-Q273 WeakPolarHBondContact O-CB 3.48Å; S270-Q273 PolarHBondContact O-N 3.18Å; S270-Q273 WeakPolarHBondContact OG-CG 3.46Å; S270-Q273 PolarHBondContact OG-N 2.79Å; Y271-Q273 VanDerWaalsContact C-N 3.35Å; Y271-Q273 PolarHBondContact O-N 3.46Å; Q273-R275 VanDerWaalsContact C-N 3.34Å; Q273-R275 PolarHBondContact O-N 3.1Å; Q273-I276 PolarHBondContact O-N 2.96Å; Q273-H277 WeakPolarHBondContact O-CB 3.33Å; Q273-H277 PolarHBondContact O-N 2.97Å
274R92.4Very high90.8Very high57 Ų5756 Ų5622%0.21528%0.277CS..Hα-helixtrans-62.5-40.6175.4-65.9-164.9-64.6-85.40112I261 L266 T269 S270 Y271 H277 A278I261-R274 HydrophobicContact CG2-CB 4.1Å; I261-R274 WeakPolarHBondContact O-CD 3.34Å; L266-R274 HydrophobicContact CB-CG 4.34Å; T269-R274 PolarHBondContact O-NH1 3.02Å; T269-R274 WeakPolarHBondContact OG1-CG 3.3Å; S270-R274 PolarHBondContact O-N 3.1Å; Y271-R274 PolarHBondContact O-N 3.41Å; R274-H277 PolarHBondContact O-N 2.72Å; R274-A278 WeakPolarHBondContact O-CB 3.46Å; R274-A278 PolarHBondContact O-N 3.37Å
275R92Very high91.1Very high46 Ų4660.4 Ų60.417%0.17431%0.306CS..Hα-helixtrans-59.8-49174.8-179.2178.1173.297.9-0.6111.8L253 I261 Y271 Y272 Q273 H277 A278 I279L253-R275 VanDerWaalsContact CD1-CZ 3.47Å; I261-R275 HydrophobicContact CD1-CB 3.99Å; I261-R275 HydrophobicContact CD1-CG 4.11Å; I261-R275 HydrophobicContact CG1-CB 4.45Å; Y271-R275 HydrophobicContact CE1-CB 4.43Å; Y271-R275 WeakPolarHBondContact O-CB 3.39Å; Y271-R275 PolarHBondContact O-N 3.05Å; Y272-R275 PolarHBondContact O-N 3.11Å; Q273-R275 VanDerWaalsContact C-N 3.34Å; Q273-R275 PolarHBondContact O-N 3.1Å; R275-H277 VanDerWaalsContact C-N 3.33Å; R275-H277 PolarHBondContact O-N 2.75Å; R275-A278 PolarHBondContact O-N 2.95Å; R275-I279 HydrophobicContact CG-CD1 3.85Å; R275-I279 VanDerWaalsContact O-CG1 3.31Å; R275-I279 WeakPolarHBondContact O-CG1 3.49Å; R275-I279 PolarHBondContact O-N 3.07Å
276I93.8Very high91.4Very high2 Ų254.5 Ų54.51%0.0127%0.273CS..Hα-helixtrans-57.9-48.1177-69.2164.2000110.6G5 L6 Y9 F239 V243 Y272 Q273 A278 I279 F280G5-I276 VanDerWaalsContact C-CD1 3.44Å; L6-I276 HydrophobicContact CD1-CG2 4.37Å; Y9-I276 HydrophobicContact CD1-CG2 3.46Å; Y9-I276 VanDerWaalsContact CD1-CG2 3.46Å; Y9-I276 HydrophobicContact CD2-CB 4.4Å; Y9-I276 HydrophobicContact CD2-CG2 3.98Å; Y9-I276 HydrophobicContact CE1-CG2 3.78Å; Y9-I276 HydrophobicContact CE2-CG2 4.28Å; Y9-I276 HydrophobicContact CG-CB 4.31Å; Y9-I276 HydrophobicContact CG-CG2 3.55Å; F239-I276 HydrophobicContact CE2-CG2 4.11Å; F239-I276 HydrophobicContact CZ-CG2 3.78Å; V243-I276 HydrophobicContact CG1-CD1 4.33Å; V243-I276 HydrophobicContact CG1-CG1 3.63Å; V243-I276 HydrophobicContact CG2-CG1 4.26Å; Y272-I276 WeakPolarHBondContact O-CD1 3.5Å; Y272-I276 VanDerWaalsContact O-CG1 3.25Å; Y272-I276 WeakPolarHBondContact O-CG1 3.37Å; Y272-I276 PolarHBondContact O-N 3.46Å; Q273-I276 PolarHBondContact O-N 2.96Å; I276-A278 PolarHBondContact O-N 2.89Å; I276-I279 PolarHBondContact O-N 3.05Å; I276-F280 WeakPolarHBondContact O-CB 3.35Å; I276-F280 PolarHBondContact O-N 2.87Å
277H94.7Very high91.5Very high49 Ų4964 Ų6423%0.22731%0.305CS..Hα-helixtrans-61.5-43.2179.9-166.765.4000112.7Y9 L266 Q273 R274 R275 F280 N281Y9-H277 HydrophobicContact CE2-CB 3.72Å; Y9-H277 AromaticContact CE2-ND1 3.6Å; Y9-H277 AromaticContact CZ-ND1 3.67Å; Y9-H277 PolarHBondContact OH-ND1 3Å; L266-H277 HydrophobicContact CD1-CB 3.84Å; Q273-H277 WeakPolarHBondContact O-CB 3.33Å; Q273-H277 PolarHBondContact O-N 2.97Å; R274-H277 PolarHBondContact O-N 2.72Å; R275-H277 VanDerWaalsContact C-N 3.33Å; R275-H277 PolarHBondContact O-N 2.75Å; H277-F280 PolarHBondContact O-N 3.46Å; H277-N281 PolarHBondContact CD2-ND2 2.88Å; H277-N281 VanDerWaalsContact CD2-ND2 3.29Å; H277-N281 PolarHBondContact CE1-ND2 2.89Å; H277-N281 PolarHBondContact NE2-ND2 2.69Å; H277-N281 WeakPolarHBondContact O-CB 3.26Å; H277-N281 PolarHBondContact O-N 2.87Å; H277-N281 PolarHBondContact O-ND2 3.32Å
278A94.9Very high92Very high3 Ų360.2 Ų60.23%0.02529%0.29CS..Hα-helixtrans-63.6-45.7178.700000112.3I257 L260 I261 R274 R275 I276 N281 W282I257-A278 HydrophobicContact CG2-CB 4.04Å; L260-A278 HydrophobicContact CB-CB 3.7Å; I261-A278 HydrophobicContact CG1-CB 3.62Å; R274-A278 WeakPolarHBondContact O-CB 3.46Å; R274-A278 PolarHBondContact O-N 3.37Å; R275-A278 PolarHBondContact O-N 2.95Å; I276-A278 PolarHBondContact O-N 2.89Å; A278-N281 PolarHBondContact O-N 2.92Å; A278-W282 WeakPolarHBondContact O-CB 3.19Å; A278-W282 PolarHBondContact O-N 3.01Å
279I94.9Very high92.3Very high0 Ų052.7 Ų52.70%025%0.25CC..Hα-helixtrans-63.7-44.6176.8-63.4166000110.3F239 L242 V243 L253 I257 R275 I276 N281 W282 L283F239-I279 HydrophobicContact CD2-CG2 3.95Å; L242-I279 HydrophobicContact CB-CG2 3.97Å; L242-I279 HydrophobicContact CD1-CG2 4.43Å; V243-I279 HydrophobicContact CB-CD1 4.47Å; V243-I279 HydrophobicContact CG2-CB 4.44Å; V243-I279 HydrophobicContact CG2-CD1 3.94Å; V243-I279 HydrophobicContact CG2-CG2 4.34Å; L253-I279 HydrophobicContact CD1-CD1 3.62Å; L253-I279 HydrophobicContact CD1-CG1 3.84Å; I257-I279 HydrophobicContact CD1-CG1 4.38Å; I257-I279 HydrophobicContact CG2-CG1 4.07Å; R275-I279 HydrophobicContact CG-CD1 3.85Å; R275-I279 VanDerWaalsContact O-CG1 3.31Å; R275-I279 WeakPolarHBondContact O-CG1 3.49Å; R275-I279 PolarHBondContact O-N 3.07Å; I276-I279 PolarHBondContact O-N 3.05Å; I279-N281 PolarHBondContact O-N 2.83Å; I279-W282 PolarHBondContact O-N 2.91Å; I279-L283 HydrophobicContact CG2-CD1 4.02Å; I279-L283 HydrophobicContact CG2-CG 4.47Å; I279-L283 WeakPolarHBondContact O-CG 3.49Å; I279-L283 PolarHBondContact O-N 2.92Å
280F95.2Very high92.4Very high9 Ų955.4 Ų55.44%0.03926%0.257CS..Hα-helixtrans-56.9-51.8177.2-176.2-93000111.5P227 F228 K230 L231 F239 I276 H277 L283 L284P227-F280 WeakPolarHBondContact O-CZ 3.41Å; F228-F280 HydrophobicContact CD2-CD2 4.18Å; F228-F280 AromaticContact CD2-CE2 3.69Å; F228-F280 HydrophobicContact CD2-CE2 3.69Å; F228-F280 HydrophobicContact CD2-CZ 4.45Å; F228-F280 HydrophobicContact CE2-CD2 4.25Å; F228-F280 HydrophobicContact CE2-CE2 4.06Å; K230-F280 HydrophobicContact CB-CZ 4.45Å; L231-F280 HydrophobicContact CB-CD2 4.13Å; L231-F280 HydrophobicContact CB-CE2 3.48Å; L231-F280 VanDerWaalsContact CB-CE2 3.48Å; L231-F280 HydrophobicContact CB-CZ 3.96Å; L231-F280 HydrophobicContact CD2-CD2 4.04Å; L231-F280 HydrophobicContact CD2-CE2 4.21Å; L231-F280 HydrophobicContact CG-CE2 4.45Å; F239-F280 HydrophobicContact CD2-CB 4.23Å; F239-F280 HydrophobicContact CD2-CD2 4.38Å; F239-F280 HydrophobicContact CE2-CB 3.76Å; F239-F280 HydrophobicContact CE2-CD2 4.11Å; F239-F280 HydrophobicContact CE2-CG 4.46Å; F239-F280 HydrophobicContact CZ-CD2 4.39Å; I276-F280 WeakPolarHBondContact O-CB 3.35Å; I276-F280 PolarHBondContact O-N 2.87Å; H277-F280 PolarHBondContact O-N 3.46Å; F280-L283 PolarHBondContact O-N 2.83Å; F280-L284 HydrophobicContact CD1-CD1 4Å; F280-L284 HydrophobicContact CE1-CD1 3.64Å; F280-L284 HydrophobicContact CE1-CG 4.29Å; F280-L284 HydrophobicContact CZ-CD1 4.41Å; F280-L284 WeakPolarHBondContact O-CG 3.29Å; F280-L284 PolarHBondContact O-N 3.42Å
281N94.3Very high92.6Very high60 Ų6057.6 Ų57.632%0.32126%0.261SS..Hα-helixtrans-67.4-37.1-179.6-70.3-21.4000112.7H277 A278 I279 L284H277-N281 PolarHBondContact CD2-ND2 2.88Å; H277-N281 VanDerWaalsContact CD2-ND2 3.29Å; H277-N281 PolarHBondContact CE1-ND2 2.89Å; H277-N281 PolarHBondContact NE2-ND2 2.69Å; H277-N281 WeakPolarHBondContact O-CB 3.26Å; H277-N281 PolarHBondContact O-N 2.87Å; H277-N281 PolarHBondContact O-ND2 3.32Å; A278-N281 PolarHBondContact O-N 2.92Å; I279-N281 PolarHBondContact O-N 2.83Å; N281-L284 WeakPolarHBondContact O-CB 3.49Å; N281-L284 PolarHBondContact O-N 2.82Å
282W95.7Very high92.8Very high7 Ų752.7 Ų52.73%0.02724%0.242CC..Hα-helixtrans-62.3-44.8175.517772.6000111.4L242 P254 I257 L260 A278 I279 L284 C285 F286 P292 L295 I296L242-W282 HydrophobicContact CD1-CZ3 3.89Å; P254-W282 HydrophobicContact CG-CH2 4.26Å; P254-W282 HydrophobicContact CG-CZ2 3.87Å; I257-W282 HydrophobicContact CD1-CB 4.45Å; I257-W282 HydrophobicContact CD1-CD2 3.72Å; I257-W282 HydrophobicContact CD1-CE3 3.68Å; I257-W282 HydrophobicContact CD1-CG 4.07Å; I257-W282 HydrophobicContact CD1-CZ3 4.19Å; I257-W282 HydrophobicContact CG1-CB 4.06Å; I257-W282 HydrophobicContact CG1-CD2 4.02Å; I257-W282 HydrophobicContact CG1-CE3 4.44Å; I257-W282 HydrophobicContact CG1-CG 3.83Å; L260-W282 HydrophobicContact CD1-CB 4.08Å; A278-W282 WeakPolarHBondContact O-CB 3.19Å; A278-W282 PolarHBondContact O-N 3.01Å; I279-W282 PolarHBondContact O-N 2.91Å; W282-L284 VanDerWaalsContact C-N 3.28Å; W282-L284 PolarHBondContact O-N 3.3Å; W282-C285 VanDerWaalsContact O-CB 3.29Å; W282-C285 WeakPolarHBondContact O-CB 3.42Å; W282-C285 PolarHBondContact O-N 2.95Å; W282-C285 VanDerWaalsContact O-N 3.1Å; W282-F286 AromaticContact CD2-CE2 3.77Å; W282-F286 HydrophobicContact CD2-CE2 3.77Å; W282-F286 AromaticContact CE2-CE2 3.42Å; W282-F286 VanDerWaalsContact CE2-CE2 3.42Å; W282-F286 AromaticContact CE2-CZ 3.73Å; W282-F286 HydrophobicContact CE3-CE2 4.3Å; W282-F286 HydrophobicContact CG-CE2 4.18Å; W282-F286 HydrophobicContact CH2-CE2 4.26Å; W282-F286 AromaticContact CZ2-CE2 3.69Å; W282-F286 HydrophobicContact CZ2-CE2 3.69Å; W282-F286 AromaticContact CZ2-CZ 3.79Å; W282-F286 HydrophobicContact CZ2-CZ 3.79Å; W282-F286 AromaticContact NE1-CE2 3.61Å; W282-F286 AromaticContact NE1-CZ 3.69Å; W282-F286 VanDerWaalsContact O-CD2 3.26Å; W282-F286 WeakPolarHBondContact O-CD2 3.35Å; W282-F286 WeakPolarHBondContact O-CE2 3.41Å; W282-P292 HydrophobicContact CH2-CB 3.4Å; W282-P292 VanDerWaalsContact CH2-CB 3.4Å; W282-P292 HydrophobicContact CZ2-CB 4.11Å; W282-P292 HydrophobicContact CZ3-CB 3.79Å; W282-L295 HydrophobicContact CZ2-CB 4.42Å; W282-L295 HydrophobicContact CZ2-CD1 4.01Å; W282-I296 HydrophobicContact CH2-CD1 4.01Å; W282-I296 HydrophobicContact CH2-CG1 4.13Å; W282-I296 HydrophobicContact CZ3-CD1 4.25Å
283L96Very high93Very high0 Ų048.5 Ų48.50%023%0.226CC..Hα-helixtrans-66.2-28.9178.7-73.4173.8000113.3L231 M235 L238 F239 L242 I279 F280 C285 F286 P292L231-L283 HydrophobicContact CD1-CB 3.79Å; L231-L283 HydrophobicContact CD2-CD1 4.38Å; M235-L283 HydrophobicContact SD-CD2 4.39Å; L238-L283 HydrophobicContact CD2-CD2 4.01Å; L238-L283 HydrophobicContact CG-CD2 4.45Å; F239-L283 VanDerWaalsContact CA-CD1 3.49Å; F239-L283 HydrophobicContact CB-CD1 3.5Å; F239-L283 HydrophobicContact CD2-CD1 4.31Å; F239-L283 HydrophobicContact CG-CD1 4.43Å; L242-L283 HydrophobicContact CD1-CD1 4.29Å; L242-L283 HydrophobicContact CD1-CD2 4.22Å; I279-L283 HydrophobicContact CG2-CD1 4.02Å; I279-L283 HydrophobicContact CG2-CG 4.47Å; I279-L283 WeakPolarHBondContact O-CG 3.49Å; I279-L283 PolarHBondContact O-N 2.92Å; F280-L283 PolarHBondContact O-N 2.83Å; L283-C285 PolarHBondContact O-N 2.96Å; L283-F286 PolarHBondContact O-N 2.67Å; L283-P292 HydrophobicContact CD2-CB 3.92Å; L283-P292 HydrophobicContact CD2-CG 4.2Å
284L94.8Very high93.1Very high69 Ų6951.6 Ų51.636%0.36125%0.249SC..THydrogen-bonded Turntrans-62.8-17.7173.7-72176.8000113.5K230 L231 F280 N281 W282 F286K230-L284 HydrophobicContact CB-CD2 4.02Å; L231-L284 HydrophobicContact CB-CD2 4.19Å; L231-L284 HydrophobicContact CD1-CD2 3.97Å; L231-L284 HydrophobicContact CD1-CG 4.4Å; F280-L284 HydrophobicContact CD1-CD1 4Å; F280-L284 HydrophobicContact CE1-CD1 3.64Å; F280-L284 HydrophobicContact CE1-CG 4.29Å; F280-L284 HydrophobicContact CZ-CD1 4.41Å; F280-L284 WeakPolarHBondContact O-CG 3.29Å; F280-L284 PolarHBondContact O-N 3.42Å; N281-L284 WeakPolarHBondContact O-CB 3.49Å; N281-L284 PolarHBondContact O-N 2.82Å; W282-L284 VanDerWaalsContact C-N 3.28Å; W282-L284 PolarHBondContact O-N 3.3Å; L284-F286 PolarHBondContact O-N 2.76Å
285C94.3Very high93.2Very high101 Ų10152.1 Ų52.168%0.68226%0.256SS*.THydrogen-bonded Turntrans-74.9-11.4177.2-60.10000113.6W282 L283W282-C285 VanDerWaalsContact O-CB 3.29Å; W282-C285 WeakPolarHBondContact O-CB 3.42Å; W282-C285 PolarHBondContact O-N 2.95Å; W282-C285 VanDerWaalsContact O-N 3.1Å; L283-C285 PolarHBondContact O-N 2.96Å
286F93.6Very high93.3Very high29 Ų2950 Ų5013%0.12725%0.248CC..  trans-112148-173-56.6-78.4000112M235 W282 L283 L284 Q291 P292 L295M235-F286 HydrophobicContact CE-CB 3.55Å; W282-F286 AromaticContact CD2-CE2 3.77Å; W282-F286 HydrophobicContact CD2-CE2 3.77Å; W282-F286 AromaticContact CE2-CE2 3.42Å; W282-F286 VanDerWaalsContact CE2-CE2 3.42Å; W282-F286 AromaticContact CE2-CZ 3.73Å; W282-F286 HydrophobicContact CE3-CE2 4.3Å; W282-F286 HydrophobicContact CG-CE2 4.18Å; W282-F286 HydrophobicContact CH2-CE2 4.26Å; W282-F286 AromaticContact CZ2-CE2 3.69Å; W282-F286 HydrophobicContact CZ2-CE2 3.69Å; W282-F286 AromaticContact CZ2-CZ 3.79Å; W282-F286 HydrophobicContact CZ2-CZ 3.79Å; W282-F286 AromaticContact NE1-CE2 3.61Å; W282-F286 AromaticContact NE1-CZ 3.69Å; W282-F286 VanDerWaalsContact O-CD2 3.26Å; W282-F286 WeakPolarHBondContact O-CD2 3.35Å; W282-F286 WeakPolarHBondContact O-CE2 3.41Å; L283-F286 PolarHBondContact O-N 2.67Å; L284-F286 PolarHBondContact O-N 2.76Å; F286-Q291 HydrophobicContact CD1-CB 3.78Å; F286-Q291 VanDerWaalsContact CD1-CD 3.47Å; F286-Q291 HydrophobicContact CD1-CG 3.67Å; F286-Q291 VanDerWaalsContact CD1-OE1 3.32Å; F286-Q291 HydrophobicContact CE1-CB 4.21Å; F286-Q291 HydrophobicContact CE1-CG 3.65Å; F286-P292 HydrophobicContact CB-CG 4.26Å; F286-P292 HydrophobicContact CD2-CB 4.01Å; F286-P292 HydrophobicContact CD2-CG 4.2Å; F286-P292 HydrophobicContact CE2-CB 4.13Å; F286-P292 HydrophobicContact CG-CB 4.29Å; F286-P292 HydrophobicContact CG-CG 4.11Å; F286-L295 HydrophobicContact CE1-CD1 3.87Å; F286-L295 HydrophobicContact CZ-CD1 3.7Å
287R87.6Confident93.3Very high251 Ų25151 Ų5195%0.94725%0.254SS*.SBendtrans-90.9-31.6177.4-66-175-179.7-175.30.5113.2
288D88.1Confident93.3Very high78 Ų7852 Ų5242%0.41727%0.266SS..SBendtrans-138.8160.2-177.965.766.9000110.8M235 K290 Q291 P292M235-D288 WeakPolarHBondContact CE-O 3.25Å; D288-K290 PolarHBondContact O-N 2.92Å; D288-K290 WeakPolarHBondContact OD1-CA 3.36Å; D288-K290 WeakPolarHBondContact OD1-CB 3.43Å; D288-K290 PolarHBondContact OD1-N 3.43Å; D288-Q291 PolarHBondContact OD1-N 3.16Å; D288-P292 WeakPolarHBondContact O-CD 3.45Å
289M89.6Confident93.3Very high11 Ų1155.4 Ų55.45%0.05428%0.283CS..SBendtrans-70.4-16.8-175.9-68.1-172.6-5800113.8P234 M235 L238 Q291 P292 L293 I316 F372P234-M289 HydrophobicContact CB-CE 3.59Å; P234-M289 HydrophobicContact CB-CG 4.48Å; P234-M289 HydrophobicContact CB-SD 3.69Å; P234-M289 HydrophobicContact CG-CE 3.58Å; P234-M289 HydrophobicContact CG-CG 4.03Å; P234-M289 HydrophobicContact CG-SD 3.85Å; M235-M289 HydrophobicContact SD-CG 3.74Å; L238-M289 HydrophobicContact CB-SD 4.17Å; L238-M289 HydrophobicContact CD2-CB 4.34Å; L238-M289 HydrophobicContact CD2-CG 4.14Å; M289-Q291 PolarHBondContact O-N 3.45Å; M289-P292 VanDerWaalsContact O-CD 3.3Å; M289-P292 WeakPolarHBondContact O-CD 3.3Å; M289-P292 WeakPolarHBondContact O-CG 3.39Å; M289-L293 HydrophobicContact CB-CD1 4.05Å; M289-L293 VanDerWaalsContact O-CB 3.24Å; M289-L293 WeakPolarHBondContact O-CB 3.5Å; M289-L293 WeakPolarHBondContact O-CD1 3.34Å; M289-L293 WeakPolarHBondContact O-CG 3.24Å; M289-L293 PolarHBondContact O-N 2.98Å; M289-L293 VanDerWaalsContact O-N 3.07Å; M289-I316 HydrophobicContact SD-CD1 4.45Å; M289-F372 HydrophobicContact CE-CD1 4.41Å; M289-F372 HydrophobicContact CE-CD2 3.38Å; M289-F372 HydrophobicContact CE-CE1 4.35Å; M289-F372 HydrophobicContact CE-CE2 3.31Å; M289-F372 HydrophobicContact CE-CG 3.96Å; M289-F372 HydrophobicContact CE-CZ 3.83Å
290K90.1Very high93.3Very high106 Ų10656.2 Ų56.246%0.46129%0.287SS..Hα-helixtrans-63.8-45.4-173.6-59.1179.6169.8-169.60111.4D288 L293 S294 E367D288-K290 PolarHBondContact O-N 2.92Å; D288-K290 WeakPolarHBondContact OD1-CA 3.36Å; D288-K290 WeakPolarHBondContact OD1-CB 3.43Å; D288-K290 PolarHBondContact OD1-N 3.43Å; K290-L293 PolarHBondContact O-N 3.02Å; K290-S294 VanDerWaalsContact O-CB 3.26Å; K290-S294 WeakPolarHBondContact O-CB 3.49Å; K290-S294 PolarHBondContact O-N 3.25Å; K290-E367 WeakPolarHBondContact CE-OE1 3.23Å; K290-E367 WeakPolarHBondContact CE-OE2 3.45Å; K290-E367 IonicContact NZ-OE1 2.79Å; K290-E367 PolarHBondContact NZ-OE1 3.2Å; K290-E367 IonicContact NZ-OE2 3.48Å; K290-E367 PolarHBondContact NZ-OE2 3.41Å
291Q92.8Very high93.2Very high109 Ų10958.6 Ų58.651%0.50931%0.305SS..Hα-helixtrans-64.1-52.4-177.3-167.7178.36.100113F286 D288 M289 L293 S294 L295F286-Q291 HydrophobicContact CD1-CB 3.78Å; F286-Q291 VanDerWaalsContact CD1-CD 3.47Å; F286-Q291 HydrophobicContact CD1-CG 3.67Å; F286-Q291 VanDerWaalsContact CD1-OE1 3.32Å; F286-Q291 HydrophobicContact CE1-CB 4.21Å; F286-Q291 HydrophobicContact CE1-CG 3.65Å; D288-Q291 PolarHBondContact OD1-N 3.16Å; M289-Q291 PolarHBondContact O-N 3.45Å; Q291-L293 VanDerWaalsContact C-N 3.33Å; Q291-L293 PolarHBondContact O-N 2.92Å; Q291-S294 PolarHBondContact O-N 3.08Å; Q291-L295 WeakPolarHBondContact O-CG 3.15Å; Q291-L295 PolarHBondContact O-N 2.87Å
292P93.7Very high93.1Very high0 Ų063 Ų630%032%0.323CS..Hα-helixtrans-63.4-37.9176.523.8-32.3000112.2M235 L238 W282 L283 F286 D288 M289 L295 I296M235-P292 HydrophobicContact CE-CG 4.14Å; M235-P292 HydrophobicContact SD-CG 4.31Å; L238-P292 HydrophobicContact CD2-CB 4.4Å; L238-P292 HydrophobicContact CD2-CG 4.01Å; W282-P292 HydrophobicContact CH2-CB 3.4Å; W282-P292 VanDerWaalsContact CH2-CB 3.4Å; W282-P292 HydrophobicContact CZ2-CB 4.11Å; W282-P292 HydrophobicContact CZ3-CB 3.79Å; L283-P292 HydrophobicContact CD2-CB 3.92Å; L283-P292 HydrophobicContact CD2-CG 4.2Å; F286-P292 HydrophobicContact CB-CG 4.26Å; F286-P292 HydrophobicContact CD2-CB 4.01Å; F286-P292 HydrophobicContact CD2-CG 4.2Å; F286-P292 HydrophobicContact CE2-CB 4.13Å; F286-P292 HydrophobicContact CG-CB 4.29Å; F286-P292 HydrophobicContact CG-CG 4.11Å; D288-P292 WeakPolarHBondContact O-CD 3.45Å; M289-P292 VanDerWaalsContact O-CD 3.3Å; M289-P292 WeakPolarHBondContact O-CD 3.3Å; M289-P292 WeakPolarHBondContact O-CG 3.39Å; P292-L295 PolarHBondContact O-N 2.89Å; P292-I296 WeakPolarHBondContact O-CD1 3.46Å; P292-I296 VanDerWaalsContact O-CG1 3.27Å; P292-I296 WeakPolarHBondContact O-CG1 3.48Å; P292-I296 PolarHBondContact O-N 3.33Å
293L93Very high93Very high18 Ų1870.1 Ų70.19%0.09436%0.362CS..Hα-helixtrans-62.5-45.1175.4-72.7173.1000112.1L238 M289 K290 Q291 L295 I296 L297 I312 F372L238-L293 HydrophobicContact CD1-CD2 3.8Å; L238-L293 HydrophobicContact CD2-CD2 4.44Å; L238-L293 HydrophobicContact CD2-CG 4.38Å; M289-L293 HydrophobicContact CB-CD1 4.05Å; M289-L293 VanDerWaalsContact O-CB 3.24Å; M289-L293 WeakPolarHBondContact O-CB 3.5Å; M289-L293 WeakPolarHBondContact O-CD1 3.34Å; M289-L293 WeakPolarHBondContact O-CG 3.24Å; M289-L293 PolarHBondContact O-N 2.98Å; M289-L293 VanDerWaalsContact O-N 3.07Å; K290-L293 PolarHBondContact O-N 3.02Å; Q291-L293 VanDerWaalsContact C-N 3.33Å; Q291-L293 PolarHBondContact O-N 2.92Å; L293-L295 VanDerWaalsContact C-N 3.31Å; L293-L295 PolarHBondContact O-N 3.33Å; L293-I296 PolarHBondContact O-N 3.27Å; L293-I296 VanDerWaalsContact O-N 3.15Å; L293-L297 WeakPolarHBondContact O-CB 3.35Å; L293-L297 WeakPolarHBondContact O-CG 3.48Å; L293-L297 PolarHBondContact O-N 3.12Å; L293-I312 HydrophobicContact CD2-CD1 4.13Å; L293-I312 HydrophobicContact CD2-CG2 3.71Å; L293-F372 HydrophobicContact CD1-CE1 3.74Å; L293-F372 HydrophobicContact CD1-CZ 3.93Å
294S93.6Very high92.8Very high78 Ų7875 Ų7555%0.54539%0.385SS..Hα-helixtrans-59.1-42.2175.91770000111.8K290 Q291 I296 S298K290-S294 VanDerWaalsContact O-CB 3.26Å; K290-S294 WeakPolarHBondContact O-CB 3.49Å; K290-S294 PolarHBondContact O-N 3.25Å; Q291-S294 PolarHBondContact O-N 3.08Å; S294-I296 PolarHBondContact O-N 3.13Å; S294-S298 WeakPolarHBondContact O-CB 3.23Å; S294-S298 PolarHBondContact O-N 2.79Å
295L94.8Very high92.7Very high69 Ų6976.2 Ų76.236%0.36138%0.384SS..Hα-helixtrans-63.1-40.6175.4-70172.8000112P254 W282 F286 Q291 P292 L293 S298P254-L295 HydrophobicContact CG-CB 4.25Å; W282-L295 HydrophobicContact CZ2-CB 4.42Å; W282-L295 HydrophobicContact CZ2-CD1 4.01Å; F286-L295 HydrophobicContact CE1-CD1 3.87Å; F286-L295 HydrophobicContact CZ-CD1 3.7Å; Q291-L295 WeakPolarHBondContact O-CG 3.15Å; Q291-L295 PolarHBondContact O-N 2.87Å; P292-L295 PolarHBondContact O-N 2.89Å; L293-L295 VanDerWaalsContact C-N 3.31Å; L293-L295 PolarHBondContact O-N 3.33Å; L295-S298 PolarHBondContact O-OG 3.09Å
296I94Very high92.5Very high0 Ų077.5 Ų77.50%038%0.384CS..Hα-helixtrans-67.7-50177.6-69.2158.2000111L242 I251 P254 W282 P292 L293 S294 S298 L299 Y300 I312L242-I296 HydrophobicContact CD1-CD1 3.66Å; L242-I296 HydrophobicContact CD2-CD1 3.56Å; L242-I296 HydrophobicContact CG-CD1 4.26Å; I251-I296 HydrophobicContact CG2-CG2 3.69Å; P254-I296 HydrophobicContact CG-CG1 4.39Å; W282-I296 HydrophobicContact CH2-CD1 4.01Å; W282-I296 HydrophobicContact CH2-CG1 4.13Å; W282-I296 HydrophobicContact CZ3-CD1 4.25Å; P292-I296 WeakPolarHBondContact O-CD1 3.46Å; P292-I296 VanDerWaalsContact O-CG1 3.27Å; P292-I296 WeakPolarHBondContact O-CG1 3.48Å; P292-I296 PolarHBondContact O-N 3.33Å; L293-I296 PolarHBondContact O-N 3.27Å; L293-I296 VanDerWaalsContact O-N 3.15Å; S294-I296 PolarHBondContact O-N 3.13Å; I296-S298 PolarHBondContact O-N 3.07Å; I296-L299 VanDerWaalsContact O-CB 3.27Å; I296-L299 WeakPolarHBondContact O-CB 3.42Å; I296-L299 WeakPolarHBondContact O-CG 3.31Å; I296-L299 PolarHBondContact O-N 3.35Å; I296-Y300 HydrophobicContact CG2-CE2 4.36Å; I296-Y300 WeakPolarHBondContact O-CD2 3.46Å; I296-I312 HydrophobicContact CG2-CD1 4.12Å
297L93.8Very high92.3Very high24 Ų2478.3 Ų78.313%0.12640%0.401CS..Hα-helixtrans-63.5-26.2-179.6-67.2173.8000112.3L293 L299 Y300 R305 I308 E309L293-L297 WeakPolarHBondContact O-CB 3.35Å; L293-L297 WeakPolarHBondContact O-CG 3.48Å; L293-L297 PolarHBondContact O-N 3.12Å; L297-L299 PolarHBondContact O-N 3.49Å; L297-Y300 PolarHBondContact O-N 2.81Å; L297-R305 HydrophobicContact CB-CG 4.41Å; L297-R305 PolarHBondContact O-NE 3.42Å; L297-I308 HydrophobicContact CD2-CB 4.24Å; L297-I308 HydrophobicContact CD2-CG2 3.98Å; L297-E309 HydrophobicContact CD1-CB 4.4Å; L297-E309 HydrophobicContact CD2-CB 4.08Å
298S94.8Very high92.4Very high71 Ų7167.8 Ų67.850%0.49736%0.363SS..THydrogen-bonded Turntrans-65.2-18.1174.379.50000113.9S294 L295 I296 Y300S294-S298 WeakPolarHBondContact O-CB 3.23Å; S294-S298 PolarHBondContact O-N 2.79Å; L295-S298 PolarHBondContact O-OG 3.09Å; I296-S298 PolarHBondContact O-N 3.07Å; S298-Y300 VanDerWaalsContact C-N 3.26Å; S298-Y300 PolarHBondContact O-N 2.82Å
299L94.3Very high92.6Very high73 Ų7368.7 Ų68.738%0.38236%0.364SS..THydrogen-bonded Turntrans-80.2-8.1177.3-53.4176.1000113.3H252 L253 P254 I296 L297H252-L299 HydrophobicContact CB-CB 4.24Å; H252-L299 HydrophobicContact CB-CD1 3.96Å; L253-L299 VanDerWaalsContact C-CD1 3.49Å; P254-L299 HydrophobicContact CG-CD1 4.14Å; I296-L299 VanDerWaalsContact O-CB 3.27Å; I296-L299 WeakPolarHBondContact O-CB 3.42Å; I296-L299 WeakPolarHBondContact O-CG 3.31Å; I296-L299 PolarHBondContact O-N 3.35Å; L297-L299 PolarHBondContact O-N 3.49Å
300Y94.3Very high92.4Very high18 Ų1871.8 Ų71.87%0.07138%0.379CS..SBendtrans-111.7151.4-178-66.9-85.5000110.9N250 I251 H252 I296 L297 S298 E304 R305 I308N250-Y300 PolarHBondContact O-OH 3.36Å; I251-Y300 WeakPolarHBondContact CA-OH 3.38Å; H252-Y300 HydrophobicContact CB-CE2 3.92Å; H252-Y300 AromaticContact CG-CZ 3.74Å; H252-Y300 PolarHBondContact N-OH 3.07Å; H252-Y300 AromaticContact ND1-CE1 3.78Å; H252-Y300 AromaticContact ND1-CZ 3.9Å; I296-Y300 HydrophobicContact CG2-CE2 4.36Å; I296-Y300 WeakPolarHBondContact O-CD2 3.46Å; L297-Y300 PolarHBondContact O-N 2.81Å; S298-Y300 VanDerWaalsContact C-N 3.26Å; S298-Y300 PolarHBondContact O-N 2.82Å; Y300-E304 HydrophobicContact CD1-CB 4.36Å; Y300-R305 PolarHBondContact O-NE 3.34Å; Y300-I308 HydrophobicContact CD1-CD1 4.17Å; Y300-I308 HydrophobicContact CD1-CG1 3.74Å; Y300-I308 HydrophobicContact CD2-CB 4.48Å; Y300-I308 HydrophobicContact CD2-CG1 4.17Å; Y300-I308 HydrophobicContact CD2-CG2 4.07Å; Y300-I308 HydrophobicContact CE1-CD1 3.63Å; Y300-I308 HydrophobicContact CE1-CG1 3.69Å; Y300-I308 HydrophobicContact CE2-CB 4.47Å; Y300-I308 HydrophobicContact CE2-CD1 4.46Å; Y300-I308 HydrophobicContact CE2-CG1 4.13Å; Y300-I308 HydrophobicContact CE2-CG2 3.73Å; Y300-I308 HydrophobicContact CG-CG1 3.96Å
301S94.4Very high92.3Very high59 Ų5969.3 Ų69.341%0.41337%0.373SS..  trans-64.5155.2172.769.30000110.4N303 E304 R305S301-N303 PolarHBondContact O-N 3.12Å; S301-N303 VanDerWaalsContact O-N 3.14Å; S301-E304 WeakPolarHBondContact CB-OE2 3.45Å; S301-E304 PolarHBondContact N-OE2 3.08Å; S301-E304 PolarHBondContact O-N 3.35Å; S301-E304 VanDerWaalsContact OG-CG 3.31Å; S301-E304 WeakPolarHBondContact OG-CG 3.49Å; S301-E304 PolarHBondContact OG-OE2 3.06Å; S301-R305 WeakPolarHBondContact O-CG 3.44Å; S301-R305 PolarHBondContact O-N 3.24Å
302E92.4Very high92.1Very high152 Ų15264.3 Ų64.371%0.7135%0.349SS*.Hα-helixtrans-54-37.5-177.4-168.2170.5-170.600112.6E304 R305E302-E304 VanDerWaalsContact C-N 3.3Å; E302-E304 PolarHBondContact O-N 2.99Å; E302-R305 PolarHBondContact O-N 3.31Å
303N93.7Very high91.8Very high157 Ų15766.6 Ų66.684%0.8436%0.358SS*.Hα-helixtrans-71.8-18.9179.4-60.8-20.2000114.2S301S301-N303 PolarHBondContact O-N 3.12Å; S301-N303 VanDerWaalsContact O-N 3.14Å
304E91.3Very high91.3Very high102 Ų10268.8 Ų68.848%0.47737%0.37SS..Hα-helixtrans-94.5-22.2-179.5-70167.613400112.4Y300 S301 E302 D306 G307 I308Y300-E304 HydrophobicContact CD1-CB 4.36Å; S301-E304 WeakPolarHBondContact CB-OE2 3.45Å; S301-E304 PolarHBondContact N-OE2 3.08Å; S301-E304 PolarHBondContact O-N 3.35Å; S301-E304 VanDerWaalsContact OG-CG 3.31Å; S301-E304 WeakPolarHBondContact OG-CG 3.49Å; S301-E304 PolarHBondContact OG-OE2 3.06Å; E302-E304 VanDerWaalsContact C-N 3.3Å; E302-E304 PolarHBondContact O-N 2.99Å; E304-D306 PolarHBondContact O-N 3.37Å; E304-G307 PolarHBondContact O-N 3.37Å; E304-I308 WeakPolarHBondContact O-CG1 3.24Å; E304-I308 PolarHBondContact O-N 3.19Å; E304-I308 VanDerWaalsContact O-N 3.09Å
305R92.8Very high90.9Very high95 Ų9565.1 Ų65.136%0.35834%0.344SS..Hα-helixtrans-56.7-46.8-170.2-76.3176.2-173.2168.33.7113L297 Y300 S301 E302 G307 I308 E309L297-R305 HydrophobicContact CB-CG 4.41Å; L297-R305 PolarHBondContact O-NE 3.42Å; Y300-R305 PolarHBondContact O-NE 3.34Å; S301-R305 WeakPolarHBondContact O-CG 3.44Å; S301-R305 PolarHBondContact O-N 3.24Å; E302-R305 PolarHBondContact O-N 3.31Å; R305-G307 VanDerWaalsContact C-N 3.31Å; R305-G307 PolarHBondContact O-N 3.48Å; R305-I308 PolarHBondContact O-N 3.32Å; R305-E309 WeakPolarHBondContact O-CB 3.42Å; R305-E309 PolarHBondContact O-N 3.07Å
306D90.6Very high90.5Very high128 Ų12861.9 Ų61.968%0.68433%0.327SS*.Hα-helixtrans-60.5-41.6-178.2-65.8-9.1000111.7E304 E310E304-D306 PolarHBondContact O-N 3.37Å; D306-E310 WeakPolarHBondContact O-CB 3.47Å; D306-E310 PolarHBondContact O-N 3.03Å
307G88.9Confident90.1Very high45 Ų4562.8 Ų62.846%0.46433%0.333SS..Hα-helixtrans-69.1-37.4178.400000113.1E304 R305 T311E304-G307 PolarHBondContact O-N 3.37Å; R305-G307 VanDerWaalsContact C-N 3.31Å; R305-G307 PolarHBondContact O-N 3.48Å; G307-T311 WeakPolarHBondContact O-CB 3.22Å; G307-T311 PolarHBondContact O-N 3.29Å; G307-T311 PolarHBondContact O-OG1 2.96Å
308I90Very high89.7Confident31 Ų3164.1 Ų64.116%0.15934%0.34CS..Hα-helixtrans-70.8-42.2175.7-63.5-62.1000111.2L297 Y300 E304 R305 E310 T311 I312L297-I308 HydrophobicContact CD2-CB 4.24Å; L297-I308 HydrophobicContact CD2-CG2 3.98Å; Y300-I308 HydrophobicContact CD1-CD1 4.17Å; Y300-I308 HydrophobicContact CD1-CG1 3.74Å; Y300-I308 HydrophobicContact CD2-CB 4.48Å; Y300-I308 HydrophobicContact CD2-CG1 4.17Å; Y300-I308 HydrophobicContact CD2-CG2 4.07Å; Y300-I308 HydrophobicContact CE1-CD1 3.63Å; Y300-I308 HydrophobicContact CE1-CG1 3.69Å; Y300-I308 HydrophobicContact CE2-CB 4.47Å; Y300-I308 HydrophobicContact CE2-CD1 4.46Å; Y300-I308 HydrophobicContact CE2-CG1 4.13Å; Y300-I308 HydrophobicContact CE2-CG2 3.73Å; Y300-I308 HydrophobicContact CG-CG1 3.96Å; E304-I308 WeakPolarHBondContact O-CG1 3.24Å; E304-I308 PolarHBondContact O-N 3.19Å; E304-I308 VanDerWaalsContact O-N 3.09Å; R305-I308 PolarHBondContact O-N 3.32Å; I308-E310 VanDerWaalsContact C-N 3.33Å; I308-E310 PolarHBondContact O-N 3.33Å; I308-T311 WeakPolarHBondContact O-CB 3.49Å; I308-T311 PolarHBondContact O-N 2.95Å; I308-I312 HydrophobicContact CG2-CD1 3.9Å; I308-I312 HydrophobicContact CG2-CG1 4.47Å; I308-I312 WeakPolarHBondContact O-CG1 3.31Å; I308-I312 PolarHBondContact O-N 3.34Å
309E90.9Very high89.4Confident96 Ų9660.9 Ų60.945%0.44932%0.317SS..Hα-helixtrans-59.7-45.4175.7-174.8170.8175.400110.8L297 R305 T311 I312 R313L297-E309 HydrophobicContact CD1-CB 4.4Å; L297-E309 HydrophobicContact CD2-CB 4.08Å; R305-E309 WeakPolarHBondContact O-CB 3.42Å; R305-E309 PolarHBondContact O-N 3.07Å; E309-T311 PolarHBondContact O-N 3.02Å; E309-I312 PolarHBondContact O-N 3.42Å; E309-R313 WeakPolarHBondContact O-CB 3.46Å; E309-R313 PolarHBondContact O-N 2.9Å
310E87.2Confident89.1Confident76 Ų7657.6 Ų57.636%0.35530%0.3SS..Hα-helixtrans-61.8-42.2175-179.259.2-167.200112.1D306 I308 I312 R313 L314D306-E310 WeakPolarHBondContact O-CB 3.47Å; D306-E310 PolarHBondContact O-N 3.03Å; I308-E310 VanDerWaalsContact C-N 3.33Å; I308-E310 PolarHBondContact O-N 3.33Å; E310-I312 VanDerWaalsContact C-N 3.33Å; E310-I312 PolarHBondContact O-N 2.75Å; E310-R313 VanDerWaalsContact CD-NH2 3.29Å; E310-R313 PolarHBondContact O-N 3.09Å; E310-R313 IonicContact OE1-CZ 3.46Å; E310-R313 IonicContact OE1-NE 3.56Å; E310-R313 IonicContact OE1-NH2 3.04Å; E310-R313 PolarHBondContact OE1-NH2 2.76Å; E310-R313 IonicContact OE2-CZ 3.45Å; E310-R313 VanDerWaalsContact OE2-CZ 3.31Å; E310-R313 IonicContact OE2-NE 3.3Å; E310-R313 PolarHBondContact OE2-NE 3.36Å; E310-R313 IonicContact OE2-NH2 2.73Å; E310-R313 PolarHBondContact OE2-NH2 2.92Å; E310-L314 HydrophobicContact CG-CD1 4.16Å; E310-L314 HydrophobicContact CG-CG 4.47Å; E310-L314 WeakPolarHBondContact O-CB 3.06Å; E310-L314 VanDerWaalsContact O-CG 3.31Å; E310-L314 WeakPolarHBondContact O-CG 3.41Å; E310-L314 PolarHBondContact O-N 3.16Å
311T86.1Confident88.8Confident55 Ų5557.5 Ų57.534%0.33730%0.301SS..Hα-helixtrans-59.1-44.3175.6-60.90000111.6T248 G307 I308 E309 G315T248-T311 HydrophobicContact CG2-CG2 3.69Å; G307-T311 WeakPolarHBondContact O-CB 3.22Å; G307-T311 PolarHBondContact O-N 3.29Å; G307-T311 PolarHBondContact O-OG1 2.96Å; I308-T311 WeakPolarHBondContact O-CB 3.49Å; I308-T311 PolarHBondContact O-N 2.95Å; E309-T311 PolarHBondContact O-N 3.02Å; T311-G315 PolarHBondContact O-N 2.96Å
312I89.4Confident87.9Confident3 Ų358.6 Ų58.62%0.01530%0.302CS..Hα-helixtrans-66.1-43.2177.5-68.1166.5000110.6L238 T241 I251 L293 I296 I308 E309 E310 L314 G315 I316L238-I312 HydrophobicContact CD1-CG2 3.98Å; T241-I312 HydrophobicContact CG2-CB 4.5Å; T241-I312 HydrophobicContact CG2-CG1 4.49Å; T241-I312 HydrophobicContact CG2-CG2 4.29Å; I251-I312 HydrophobicContact CD1-CD1 4.46Å; I251-I312 HydrophobicContact CD1-CG1 3.7Å; I251-I312 HydrophobicContact CG1-CG1 4.4Å; L293-I312 HydrophobicContact CD2-CD1 4.13Å; L293-I312 HydrophobicContact CD2-CG2 3.71Å; I296-I312 HydrophobicContact CG2-CD1 4.12Å; I308-I312 HydrophobicContact CG2-CD1 3.9Å; I308-I312 HydrophobicContact CG2-CG1 4.47Å; I308-I312 WeakPolarHBondContact O-CG1 3.31Å; I308-I312 PolarHBondContact O-N 3.34Å; E309-I312 PolarHBondContact O-N 3.42Å; E310-I312 VanDerWaalsContact C-N 3.33Å; E310-I312 PolarHBondContact O-N 2.75Å; I312-L314 PolarHBondContact O-N 3.42Å; I312-G315 PolarHBondContact O-N 2.79Å; I312-I316 HydrophobicContact CG2-CD1 3.79Å; I312-I316 HydrophobicContact CG2-CG1 4.4Å; I312-I316 WeakPolarHBondContact O-CG1 3.43Å; I312-I316 PolarHBondContact O-N 3.34Å
313R86.8Confident87Confident49 Ų4954.7 Ų54.719%0.18529%0.288CS..Hα-helixtrans-60.7-45.6179-167.9-175.972.679.24.7111.6E309 E310 I316 S317 F372E309-R313 WeakPolarHBondContact O-CB 3.46Å; E309-R313 PolarHBondContact O-N 2.9Å; E310-R313 VanDerWaalsContact CD-NH2 3.29Å; E310-R313 PolarHBondContact O-N 3.09Å; E310-R313 IonicContact OE1-CZ 3.46Å; E310-R313 IonicContact OE1-NE 3.56Å; E310-R313 IonicContact OE1-NH2 3.04Å; E310-R313 PolarHBondContact OE1-NH2 2.76Å; E310-R313 IonicContact OE2-CZ 3.45Å; E310-R313 VanDerWaalsContact OE2-CZ 3.31Å; E310-R313 IonicContact OE2-NE 3.3Å; E310-R313 PolarHBondContact OE2-NE 3.36Å; E310-R313 IonicContact OE2-NH2 2.73Å; E310-R313 PolarHBondContact OE2-NH2 2.92Å; R313-I316 PolarHBondContact O-N 2.89Å; R313-S317 PolarHBondContact O-N 3.15Å; R313-F372 WeakPolarHBondContact CG-O 3.19Å
314L82.9Confident86.4Confident64 Ų6450 Ų5034%0.33527%0.268SS..Hα-helixtrans-60.8-46.3174.6-70172000111.3E310 I312 I316 S317 D318E310-L314 HydrophobicContact CG-CD1 4.16Å; E310-L314 HydrophobicContact CG-CG 4.47Å; E310-L314 WeakPolarHBondContact O-CB 3.06Å; E310-L314 VanDerWaalsContact O-CG 3.31Å; E310-L314 WeakPolarHBondContact O-CG 3.41Å; E310-L314 PolarHBondContact O-N 3.16Å; I312-L314 PolarHBondContact O-N 3.42Å; L314-I316 VanDerWaalsContact C-N 3.31Å; L314-I316 PolarHBondContact O-N 3.37Å; L314-S317 PolarHBondContact O-N 2.99Å; L314-S317 VanDerWaalsContact O-N 3.11Å; L314-S317 PolarHBondContact O-OG 2.59Å; L314-D318 PolarHBondContact O-N 2.93Å
315G84.7Confident86.2Confident0 Ų045.3 Ų45.30%025%0.247CC..Hα-helixtrans-60.5-35.7176.800000114T241 T311 I312 Y319T241-G315 PolarHBondContact OG1-O 3.38Å; T311-G315 PolarHBondContact O-N 2.96Å; I312-G315 PolarHBondContact O-N 2.79Å; G315-Y319 WeakPolarHBondContact O-CD2 3.38Å
316I88Confident86.1Confident2 Ų243.8 Ų43.81%0.0124%0.244CC..Hα-helixtrans-69.4-40174.2-73.2168.4000111.1P237 L238 T241 M289 I312 R313 L314 D318 Y319 F372P237-I316 HydrophobicContact CB-CB 4.32Å; P237-I316 HydrophobicContact CB-CG1 4.27Å; P237-I316 HydrophobicContact CB-CG2 3.88Å; L238-I316 HydrophobicContact CB-CD1 4.37Å; L238-I316 HydrophobicContact CD1-CD1 4.3Å; T241-I316 PolarHBondContact OG1-N 3.46Å; M289-I316 HydrophobicContact SD-CD1 4.45Å; I312-I316 HydrophobicContact CG2-CD1 3.79Å; I312-I316 HydrophobicContact CG2-CG1 4.4Å; I312-I316 WeakPolarHBondContact O-CG1 3.43Å; I312-I316 PolarHBondContact O-N 3.34Å; R313-I316 PolarHBondContact O-N 2.89Å; L314-I316 VanDerWaalsContact C-N 3.31Å; L314-I316 PolarHBondContact O-N 3.37Å; I316-D318 PolarHBondContact O-N 2.94Å; I316-Y319 PolarHBondContact O-N 2.85Å; I316-F372 HydrophobicContact CD1-CD1 4.29Å; I316-F372 HydrophobicContact CG2-CB 4.06Å
317S85.6Confident86Confident18 Ų1842.8 Ų42.813%0.12624%0.239CC..Hα-helixtrans-62.3-27.9-175.5750000113.3R313 L314 Y319 F320R313-S317 PolarHBondContact O-N 3.15Å; L314-S317 PolarHBondContact O-N 2.99Å; L314-S317 VanDerWaalsContact O-N 3.11Å; L314-S317 PolarHBondContact O-OG 2.59Å; S317-Y319 PolarHBondContact O-N 2.94Å; S317-F320 WeakPolarHBondContact O-CB 3.49Å; S317-F320 PolarHBondContact O-N 2.94Å; S317-F320 VanDerWaalsContact O-N 3.15Å
318D84.3Confident86.2Confident52 Ų5241.9 Ų41.928%0.27822%0.223SC..THydrogen-bonded Turntrans-66-13.7175.1-83.115.8000114.6I153 I247 L314 I316I153-D318 VanDerWaalsContact CD1-O 3.29Å; I153-D318 WeakPolarHBondContact CD1-O 3.26Å; I153-D318 WeakPolarHBondContact CG1-O 3.36Å; I247-D318 WeakPolarHBondContact CD1-OD2 3.47Å; L314-D318 PolarHBondContact O-N 2.93Å; I316-D318 PolarHBondContact O-N 2.94Å
319Y89.5Confident86.4Confident4 Ų440.5 Ų40.52%0.01622%0.216CC..THydrogen-bonded Turntrans-113.24.3177.2-59-72.1000113.2D172 I175 Y176 A240 N245 G315 I316 S317D172-Y319 HydrophobicContact CB-CE1 3.81Å; D172-Y319 PolarHBondContact OD1-OH 3.45Å; I175-Y319 HydrophobicContact CB-CD1 3.6Å; I175-Y319 HydrophobicContact CB-CE1 3.91Å; I175-Y319 HydrophobicContact CB-CG 4.21Å; I175-Y319 HydrophobicContact CG1-CD1 4.2Å; I175-Y319 HydrophobicContact CG1-CE1 3.98Å; I175-Y319 HydrophobicContact CG2-CD1 3.43Å; I175-Y319 VanDerWaalsContact CG2-CD1 3.43Å; I175-Y319 HydrophobicContact CG2-CD2 4.12Å; I175-Y319 HydrophobicContact CG2-CE1 4Å; I175-Y319 HydrophobicContact CG2-CG 3.49Å; I175-Y319 VanDerWaalsContact CG2-CG 3.49Å; Y176-Y319 HydrophobicContact CD1-CD1 4.37Å; Y176-Y319 AromaticContact CE1-CD1 3.93Å; Y176-Y319 HydrophobicContact CE1-CD1 3.93Å; A240-Y319 HydrophobicContact CB-CD2 3.83Å; A240-Y319 HydrophobicContact CB-CE1 4.41Å; A240-Y319 HydrophobicContact CB-CE2 3.35Å; N245-Y319 WeakPolarHBondContact CB-OH 3.42Å; N245-Y319 WeakPolarHBondContact ND2-CE2 3.27Å; N245-Y319 PolarHBondContact ND2-OH 3.28Å; G315-Y319 WeakPolarHBondContact O-CD2 3.38Å; I316-Y319 PolarHBondContact O-N 2.85Å; S317-Y319 PolarHBondContact O-N 2.94Å
320F87.5Confident86.5Confident3 Ų339.9 Ų39.91%0.01321%0.213CC..  trans-88.7117.6-176-161.5-74.8000110.3I179 Y233 S317 N322 P369 F370I179-F320 HydrophobicContact CD1-CD1 4.11Å; I179-F320 HydrophobicContact CD1-CE1 3.34Å; I179-F320 HydrophobicContact CD1-CE2 3.94Å; I179-F320 HydrophobicContact CD1-CZ 3.23Å; Y233-F320 WeakPolarHBondContact OH-CD2 3.29Å; Y233-F320 WeakPolarHBondContact OH-CE2 3.33Å; S317-F320 WeakPolarHBondContact O-CB 3.49Å; S317-F320 PolarHBondContact O-N 2.94Å; S317-F320 VanDerWaalsContact O-N 3.15Å; F320-N322 HydrophobicContact CD1-CB 3.6Å; F320-N322 HydrophobicContact CE1-CB 3.68Å; F320-N322 PolarHBondContact O-N 3.31Å; F320-P369 HydrophobicContact CE2-CB 3.82Å; F320-P369 WeakPolarHBondContact CE2-O 3.49Å; F320-P369 HydrophobicContact CZ-CB 4.17Å; F320-F370 HydrophobicContact CE1-CD1 4.12Å; F320-F370 HydrophobicContact CE1-CE1 4.11Å; F320-F370 AromaticContact CZ-CD1 3.8Å; F320-F370 HydrophobicContact CZ-CD1 3.8Å; F320-F370 HydrophobicContact CZ-CE1 4.03Å
321L87.4Confident86.7Confident17 Ų1738.9 Ų38.99%0.08922%0.218CC..  trans-88.191.6175.2-50-177.7000108.7I153 A156 E157 I160 Y176 R177I153-L321 HydrophobicContact CG2-CD2 4.01Å; A156-L321 HydrophobicContact CB-CD2 4.18Å; E157-L321 HydrophobicContact CG-CB 4.3Å; E157-L321 HydrophobicContact CG-CD2 4.13Å; I160-L321 HydrophobicContact CD1-CD1 3.41Å; I160-L321 VanDerWaalsContact CD1-CD1 3.41Å; Y176-L321 HydrophobicContact CD1-CD2 3.7Å; Y176-L321 HydrophobicContact CE1-CD2 4.36Å; Y176-L321 HydrophobicContact CG-CD2 4.17Å; R177-L321 WeakPolarHBondContact O-CD1 3.44Å
322N77Confident87Confident81 Ų8137.2 Ų37.243%0.43321%0.206SC..  trans-103.2-21.6-175.455.4-5.2000114.2E157 F320E157-N322 PolarHBondContact OE1-N 2.56Å; F320-N322 HydrophobicContact CD1-CB 3.6Å; F320-N322 HydrophobicContact CE1-CB 3.68Å; F320-N322 PolarHBondContact O-N 3.31Å
323T72.9Confident87.1Confident70 Ų7040 Ų4043%0.42924%0.236SC..SBendtrans-104.6163.2-17768.90000111.4E157E157-T323 WeakPolarHBondContact OE1-CA 3.47Å; E157-T323 PolarHBondContact OE1-N 2.9Å; E157-T323 PolarHBondContact OE1-OG1 3.32Å; E157-T323 PolarHBondContact OE2-OG1 3.5Å
324S80.3Confident87.2Confident60 Ų6038.8 Ų38.842%0.4223%0.232SC..  trans-82.6137.9168.463.10000109.4E326S324-E326 PolarHBondContact O-N 2.71Å; S324-E326 VanDerWaalsContact OG-CB 3.29Å; S324-E326 WeakPolarHBondContact OG-CB 3.43Å
325G87.4Confident86.8Confident3 Ų338 Ų383%0.03123%0.233CC..THydrogen-bonded Turntrans-64.55.7167.700000114.3L328 A329G325-L328 PolarHBondContact O-N 2.74Å; G325-A329 WeakPolarHBondContact O-CB 3.41Å; G325-A329 PolarHBondContact O-N 2.98Å
326E91.1Very high85.8Confident62 Ų6242.4 Ų42.429%0.2926%0.256SS..Hα-helixtrans-61.7-45.6-175.3-180168.3-168.500112.6Y161 S324 L328 A329 H330Y161-E326 HydrophobicContact CD2-CB 3.95Å; Y161-E326 HydrophobicContact CE1-CB 4.47Å; Y161-E326 HydrophobicContact CE2-CB 3.5Å; Y161-E326 HydrophobicContact CE2-CG 3.92Å; S324-E326 PolarHBondContact O-N 2.71Å; S324-E326 VanDerWaalsContact OG-CB 3.29Å; S324-E326 WeakPolarHBondContact OG-CB 3.43Å; E326-L328 VanDerWaalsContact C-N 3.28Å; E326-L328 PolarHBondContact O-N 3.2Å; E326-A329 WeakPolarHBondContact O-CA 3.19Å; E326-A329 WeakPolarHBondContact O-CB 3.49Å; E326-A329 PolarHBondContact O-N 3.48Å; E326-A329 VanDerWaalsContact O-N 3.08Å; E326-H330 WeakPolarHBondContact CG-CD2 3.31Å; E326-H330 VanDerWaalsContact CG-NE2 3.32Å; E326-H330 WeakPolarHBondContact CG-NE2 3.37Å; E326-H330 PolarHBondContact O-CD2 2.99Å; E326-H330 PolarHBondContact O-N 3.22Å; E326-H330 IonicContact OE1-CD2 2.95Å; E326-H330 IonicContact OE1-NE2 3.26Å; E326-H330 PolarHBondContact OE1-NE2 3.31Å; E326-H330 VanDerWaalsContact OE1-NE2 3.13Å
327N89.4Confident84Confident108 Ų10849.8 Ų49.858%0.57829%0.29SS*.Hα-helixtrans-61-39.1-178.5-73.8-28.3000112.1A331N327-A331 WeakPolarHBondContact O-CB 3.05Å; N327-A331 PolarHBondContact O-N 3.24Å; N327-A331 VanDerWaalsContact O-N 3.08Å
328L92.1Very high82.2Confident26 Ų2654 Ų5414%0.13631%0.308CS..Hα-helixtrans-70.7-40.5174.7-70.8171.3000111.1I145 L158 G325 E326 A331 L332I145-L328 HydrophobicContact CD1-CD2 3.92Å; I145-L328 HydrophobicContact CG1-CD2 4.45Å; I145-L328 HydrophobicContact CG2-CD2 4.29Å; L158-L328 HydrophobicContact CD1-CB 4.04Å; G325-L328 PolarHBondContact O-N 2.74Å; E326-L328 VanDerWaalsContact C-N 3.28Å; E326-L328 PolarHBondContact O-N 3.2Å; L328-A331 PolarHBondContact O-N 3.25Å; L328-L332 WeakPolarHBondContact O-CB 3.41Å; L328-L332 WeakPolarHBondContact O-CD1 3.35Å; L328-L332 VanDerWaalsContact O-CG 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.32Å; L328-L332 PolarHBondContact O-N 3.24Å
329A94.1Very high80.1Confident1 Ų155.4 Ų55.41%0.00831%0.312CS..Hα-helixtrans-59.3-48.317600000111.6L158 Y161 L162 G325 E326 A331 L332 G333 F334L158-A329 HydrophobicContact CD1-CB 3.93Å; Y161-A329 HydrophobicContact CD1-CB 3.58Å; Y161-A329 HydrophobicContact CE1-CB 3.5Å; L162-A329 HydrophobicContact CD2-CB 4.1Å; G325-A329 WeakPolarHBondContact O-CB 3.41Å; G325-A329 PolarHBondContact O-N 2.98Å; E326-A329 WeakPolarHBondContact O-CA 3.19Å; E326-A329 WeakPolarHBondContact O-CB 3.49Å; E326-A329 PolarHBondContact O-N 3.48Å; E326-A329 VanDerWaalsContact O-N 3.08Å; A329-A331 PolarHBondContact O-N 2.88Å; A329-L332 CarbonylContact O-C 3.5Å; A329-L332 WeakPolarHBondContact O-CA 3.37Å; A329-L332 WeakPolarHBondContact O-CB 3.5Å; A329-L332 PolarHBondContact O-N 2.62Å; A329-L332 VanDerWaalsContact O-N 3.11Å; A329-G333 PolarHBondContact O-N 2.88Å; A329-F334 HydrophobicContact CB-CB 4.06Å; A329-F334 HydrophobicContact CB-CD2 4.33Å; A329-F334 WeakPolarHBondContact O-CB 3.5Å; A329-F334 WeakPolarHBondContact O-CD2 3.36Å; A329-F334 PolarHBondContact O-N 2.81Å
330H92.3Very high77.5Confident83 Ų8362 Ų6238%0.38435%0.347SS..Hα-helixtrans-61.1-43.5175.3-75-66.1000112E326 L332 G333 N336E326-H330 WeakPolarHBondContact CG-CD2 3.31Å; E326-H330 VanDerWaalsContact CG-NE2 3.32Å; E326-H330 WeakPolarHBondContact CG-NE2 3.37Å; E326-H330 PolarHBondContact O-CD2 2.99Å; E326-H330 PolarHBondContact O-N 3.22Å; E326-H330 IonicContact OE1-CD2 2.95Å; E326-H330 IonicContact OE1-NE2 3.26Å; E326-H330 PolarHBondContact OE1-NE2 3.31Å; E326-H330 VanDerWaalsContact OE1-NE2 3.13Å; H330-L332 PolarHBondContact O-N 3.08Å; H330-G333 PolarHBondContact O-N 2.87Å; H330-N336 PolarHBondContact CE1-OD1 3.48Å; H330-N336 VanDerWaalsContact CE1-OD1 3.31Å; H330-N336 PolarHBondContact NE2-OD1 2.84Å
331A91.5Very high74.8Confident55 Ų5566.4 Ų66.446%0.45538%0.378SS..Hα-helixtrans-63.5-26.4176.700000113I145 N327 L328 A329 G333I145-A331 HydrophobicContact CD1-CB 3.54Å; N327-A331 WeakPolarHBondContact O-CB 3.05Å; N327-A331 PolarHBondContact O-N 3.24Å; N327-A331 VanDerWaalsContact O-N 3.08Å; L328-A331 PolarHBondContact O-N 3.25Å; A329-A331 PolarHBondContact O-N 2.88Å; A331-G333 VanDerWaalsContact C-N 3.31Å
332L93.8Very high72.2Confident20 Ų2070.4 Ų70.411%0.10540%0.398CS..THydrogen-bonded Turntrans-873.2173.4-72.6165.5000113.4I74 R143 I145 L158 L328 A329 H330 F334I74-L332 HydrophobicContact CG2-CD1 3.6Å; I74-L332 HydrophobicContact CG2-CD2 4.24Å; R143-L332 HydrophobicContact CB-CD2 4.27Å; I145-L332 HydrophobicContact CB-CD2 3.89Å; I145-L332 HydrophobicContact CB-CG 4.32Å; I145-L332 HydrophobicContact CD1-CG 4.46Å; I145-L332 HydrophobicContact CG2-CD1 4.06Å; I145-L332 HydrophobicContact CG2-CD2 3.96Å; I145-L332 HydrophobicContact CG2-CG 4.1Å; L158-L332 HydrophobicContact CD1-CD1 4.31Å; L158-L332 HydrophobicContact CD2-CD1 3.66Å; L328-L332 WeakPolarHBondContact O-CB 3.41Å; L328-L332 WeakPolarHBondContact O-CD1 3.35Å; L328-L332 VanDerWaalsContact O-CG 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.32Å; L328-L332 PolarHBondContact O-N 3.24Å; A329-L332 CarbonylContact O-C 3.5Å; A329-L332 WeakPolarHBondContact O-CA 3.37Å; A329-L332 WeakPolarHBondContact O-CB 3.5Å; A329-L332 PolarHBondContact O-N 2.62Å; A329-L332 VanDerWaalsContact O-N 3.11Å; H330-L332 PolarHBondContact O-N 3.08Å; L332-F334 HydrophobicContact CB-CD2 3.82Å; L332-F334 HydrophobicContact CB-CE2 4.04Å; L332-F334 HydrophobicContact CD1-CE2 4.45Å
333G91.3Very high69.9Low62 Ų6271.5 Ų71.564%0.63941%0.413SS*.THydrogen-bonded Turntrans80.415.3178.100000114.9A329 H330 A331A329-G333 PolarHBondContact O-N 2.88Å; H330-G333 PolarHBondContact O-N 2.87Å; A331-G333 VanDerWaalsContact C-N 3.31Å
334F88.2Confident68Low23 Ų2373 Ų7310%0.10142%0.422CS..  trans-77.5127.9170-68.4-83.6000110.1I74 R143 L162 A329 L332I74-F334 HydrophobicContact CD1-CE2 3.8Å; I74-F334 HydrophobicContact CD1-CZ 3.55Å; I74-F334 HydrophobicContact CG1-CZ 4.48Å; R143-F334 VanDerWaalsContact NH2-CZ 3.3Å; L162-F334 HydrophobicContact CD1-CD2 4.21Å; L162-F334 HydrophobicContact CD1-CE1 4.37Å; L162-F334 HydrophobicContact CD1-CE2 3.62Å; L162-F334 HydrophobicContact CD1-CZ 3.66Å; L162-F334 HydrophobicContact CD2-CB 4.29Å; L162-F334 HydrophobicContact CD2-CD1 3.86Å; L162-F334 HydrophobicContact CD2-CD2 3.95Å; L162-F334 HydrophobicContact CD2-CE1 4Å; L162-F334 HydrophobicContact CD2-CE2 4.08Å; L162-F334 HydrophobicContact CD2-CG 3.79Å; L162-F334 HydrophobicContact CD2-CZ 4.06Å; A329-F334 HydrophobicContact CB-CB 4.06Å; A329-F334 HydrophobicContact CB-CD2 4.33Å; A329-F334 WeakPolarHBondContact O-CB 3.5Å; A329-F334 WeakPolarHBondContact O-CD2 3.36Å; A329-F334 PolarHBondContact O-N 2.81Å; L332-F334 HydrophobicContact CB-CD2 3.82Å; L332-F334 HydrophobicContact CB-CE2 4.04Å; L332-F334 HydrophobicContact CD1-CE2 4.45Å
335S75.5Confident65.5Low49 Ų4973.4 Ų73.434%0.34342%0.423SS..  trans-89.8160.3171.665.10000111.8E337 H338S335-E337 PolarHBondContact O-N 3.17Å; S335-E337 VanDerWaalsContact O-N 3.09Å; S335-H338 PolarHBondContact O-N 3.13Å
336N62.6Low62.7Low91 Ų9179.5 Ų79.549%0.48747%0.465SS..G310 helixtrans-61.1-15.7173.1-70.4-7.8000113.2Y161 H330 H339Y161-N336 PolarHBondContact OH-OD1 3.3Å; H330-N336 PolarHBondContact CE1-OD1 3.48Å; H330-N336 VanDerWaalsContact CE1-OD1 3.31Å; H330-N336 PolarHBondContact NE2-OD1 2.84Å; N336-H339 PolarHBondContact O-CD2 3.22Å; N336-H339 VanDerWaalsContact O-CD2 3.27Å
337E50.6Low59.6Low158 Ų15881.5 Ų81.574%0.73849%0.486SS*.G310 helixtrans-84.8-19.3-177.8-65.3-174.6166.500113.8S335 H339 I340S335-E337 PolarHBondContact O-N 3.17Å; S335-E337 VanDerWaalsContact O-N 3.09Å; E337-H339 PolarHBondContact O-N 2.78Å; E337-H339 VanDerWaalsContact O-N 3.07Å; E337-I340 PolarHBondContact O-N 2.71Å
338H46.9Very low56.7Low107 Ų10781.4 Ų81.450%0.49549%0.494SS..G310 helixtrans-65.6-10.7176.8-78.2-48.1000113.8S335 I340S335-H338 PolarHBondContact O-N 3.13Å; H338-I340 VanDerWaalsContact C-N 3.27Å; H338-I340 PolarHBondContact O-N 3.33Å
339H40.7Very low53.6Low80 Ų8090.3 Ų90.337%0.3753%0.531SS..G310 helixtrans-67-18.5176.7-75.5-81000114.5Y161 N336 E337Y161-H339 AromaticContact CE1-NE2 3.58Å; Y161-H339 AromaticContact CZ-NE2 3.46Å; Y161-H339 PolarHBondContact O-CE1 3.24Å; Y161-H339 PolarHBondContact OH-NE2 3.31Å; N336-H339 PolarHBondContact O-CD2 3.22Å; N336-H339 VanDerWaalsContact O-CD2 3.27Å; E337-H339 PolarHBondContact O-N 2.78Å; E337-H339 VanDerWaalsContact O-N 3.07Å
340I34.2Very low50.6Low144 Ų14498.1 Ų98.174%0.73857%0.572SS**SBendtrans-94.7-21.6-173.9-59.4178000112.8E337 H338E337-I340 PolarHBondContact O-N 2.71Å; H338-I340 VanDerWaalsContact C-N 3.27Å; H338-I340 PolarHBondContact O-N 3.33Å
341S32.7Very low47.5Very low95 Ų9597.2 Ų97.266%0.66459%0.585SS**SBendtrans-96.6-6.5-166.7-40.80000116.2
342L32.8Very low44.3Very low100 Ų100101.2 Ų101.252%0.52460%0.599SS.*  trans-106.230.3-177-73.2169.4000113.9V344L342-V344 VanDerWaalsContact C-N 3.28Å; L342-V344 PolarHBondContact O-N 3.36Å
343S28.4Very low41.2Very low105 Ų105105 Ų10573%0.73463%0.625SS**  trans-63.892.1164.9490000110
344V31.4Very low38.1Very low102 Ų102108.9 Ų108.962%0.61863%0.631SS**  trans-58.3125.7164.3178.20000106.9L342 S346L342-V344 VanDerWaalsContact C-N 3.28Å; L342-V344 PolarHBondContact O-N 3.36Å; V344-S346 PolarHBondContact O-N 2.97Å; V344-S346 VanDerWaalsContact O-N 3.09Å
345P29.4Very low35.3Very low68 Ų68115 Ų11544%0.44266%0.663SS.*  trans-64.6119.3176.77.5-4.5000108.8S205 S347S205-P345 WeakPolarHBondContact OG-CG 3.39Å; P345-S347 VanDerWaalsContact C-N 3.31Å; P345-S347 PolarHBondContact O-N 3.42Å; P345-S347 PolarHBondContact O-OG 3.42Å
346S27.2Very low33.1Very low130 Ų130119.8 Ų119.891%0.90968%0.684SS**  trans-45.789.8174.3-42.90000111V344V344-S346 PolarHBondContact O-N 2.97Å; V344-S346 VanDerWaalsContact O-N 3.09Å
347S27Very low31.3Very low104 Ų104123 Ų12373%0.72770%0.701SS**  trans-13358.8178.254.20000110P345P345-S347 VanDerWaalsContact C-N 3.31Å; P345-S347 PolarHBondContact O-N 3.42Å; P345-S347 PolarHBondContact O-OG 3.42Å
348S28.4Very low30.2Very low107 Ų107120.2 Ų120.275%0.74870%0.699SS**  trans-159.295.4136.244.70000106.4L350S348-L350 PolarHBondContact O-N 3.26Å
349K26Very low29.2Very low213 Ų213121.8 Ų121.893%0.92672%0.716SS**  trans-61.287.1159.9-75.2-178.9176179.80106.3G351K349-G351 PolarHBondContact O-N 2.96Å
350L31.3Very low28.6Very low164 Ų164122.7 Ų122.786%0.85973%0.728SS**  trans-64.3118159.4-145.579.2000105S348 N352S348-L350 PolarHBondContact O-N 3.26Å; L350-N352 PolarHBondContact O-N 2.85Å
351G27.1Very low28.1Very low64 Ų64121.2 Ų121.266%0.6673%0.73SS**  trans-50.7132.3-170.100000112.1K349 P353K349-G351 PolarHBondContact O-N 2.96Å; G351-P353 WeakPolarHBondContact O-CD 3.4Å
352N25.6Very low27.7Very low140 Ų140126.8 Ų126.875%0.74974%0.737SS**  trans-65.2111.3171.9-167.310.4000109.2L350L350-N352 PolarHBondContact O-N 2.85Å
353P28.7Very low27.3Very low100 Ų100124.4 Ų124.465%0.64974%0.736SS**  trans-85114.1159.915.53.9000106.6G351 I355G351-P353 WeakPolarHBondContact O-CD 3.4Å; P353-I355 PolarHBondContact O-N 3.11Å
354N25.7Very low27.3Very low142 Ų142124.6 Ų124.676%0.75974%0.737SS**  trans-43.399.6167.6-67.3-39.6000110.7
355I30.2Very low27Very low151 Ų151130.5 Ų130.577%0.77475%0.75SS**  trans-108.9104.7159.7-64.2179.6000105.1P353 N357P353-I355 PolarHBondContact O-N 3.11Å; I355-N357 PolarHBondContact O-N 3.47Å
356L28.4Very low27.1Very low150 Ų150134.9 Ų134.979%0.78576%0.762SS**  trans-48.9132.1177.5-86.985.3000110.9S358L356-S358 PolarHBondContact O-N 3.19Å
357N25.3Very low27.8Very low158 Ų158132.1 Ų132.185%0.84574%0.735SS**  trans-44.1106.1157-68-29000110.1I355I355-N357 PolarHBondContact O-N 3.47Å
358S28Very low28.8Very low100 Ų100130.5 Ų130.570%0.69972%0.718SS**  trans-101.5101149.453.50000106.5L356 T360L356-S358 PolarHBondContact O-N 3.19Å; S358-T360 PolarHBondContact O-N 2.94Å; S358-T360 PolarHBondContact O-OG1 3.3Å
359T24.9Very low29.6Very low140 Ų140126.4 Ų126.486%0.85969%0.689SS**  trans-61.775.4174.2-270000108.7S361T359-S361 PolarHBondContact O-N 2.91Å
360T27.3Very low30.6Very low100 Ų100120.5 Ų120.561%0.61366%0.664SS**  trans-90.199.6166.237.70000106.4S358 W362S358-T360 PolarHBondContact O-N 2.94Å; S358-T360 PolarHBondContact O-OG1 3.3Å; T360-W362 VanDerWaalsContact O-CD1 3.29Å; T360-W362 PolarHBondContact O-N 3.31Å
361S23.9Very low31.4Very low112 Ų112118.8 Ų118.878%0.78365%0.65SS**  trans-28.4101.8161.11700000110.6T359 G363T359-S361 PolarHBondContact O-N 2.91Å; S361-G363 PolarHBondContact O-N 3.26Å
362W24.8Very low32.5Very low213 Ų213117.3 Ų117.381%0.80763%0.625SS**  trans-73.575.6167-77.62.8000107.3T360T360-W362 VanDerWaalsContact O-CD1 3.29Å; T360-W362 PolarHBondContact O-N 3.31Å
363G23.7Very low33.3Very low49 Ų49111 Ų11151%0.50559%0.591SS.*  trans-60.1131.3169.700000109.9S361 Y365S361-G363 PolarHBondContact O-N 3.26Å; G363-Y365 PolarHBondContact O-N 3.38Å
364S28.3Very low33.9Very low110 Ų110110.7 Ų110.777%0.76958%0.58SS**SBendtrans-49.291.8176.655.70000113.3
365Y25.6Very low34.2Very low226 Ų226108.1 Ų108.189%0.88657%0.571SS**  trans-147.427.2163.7-87.3-76.4000112.2G363 E367G363-Y365 PolarHBondContact O-N 3.38Å; Y365-E367 PolarHBondContact O-N 2.88Å; Y365-E367 VanDerWaalsContact O-N 3.14Å
366F32.2Very low34.3Very low159 Ų159106.7 Ų106.770%0.69756%0.564SS**  trans-68109.7156.4-81.5-83.6000106.5D368F366-D368 PolarHBondContact O-N 3.03Å
367E40.5Very low34.3Very low73 Ų73105.2 Ų105.234%0.34156%0.556SS.*  trans-54.9137.1153.7-105.5-168.6179.100108.2K290 Y365 P369 K371K290-E367 WeakPolarHBondContact CE-OE1 3.23Å; K290-E367 WeakPolarHBondContact CE-OE2 3.45Å; K290-E367 IonicContact NZ-OE1 2.79Å; K290-E367 PolarHBondContact NZ-OE1 3.2Å; K290-E367 IonicContact NZ-OE2 3.48Å; K290-E367 PolarHBondContact NZ-OE2 3.41Å; Y365-E367 PolarHBondContact O-N 2.88Å; Y365-E367 VanDerWaalsContact O-N 3.14Å; E367-P369 VanDerWaalsContact O-CD 3.22Å; E367-P369 WeakPolarHBondContact O-CD 3.09Å; E367-P369 VanDerWaalsContact O-N 3.11Å; E367-K371 IonicContact OE1-NZ 3.45Å; E367-K371 PolarHBondContact OE1-NZ 3.43Å
368D48.2Very low34.7Very low69 Ų69102.8 Ų102.837%0.36954%0.54SS..  trans-56.2115.5-177-166.9-6.6000110F366 F370 K371F366-D368 PolarHBondContact O-N 3.03Å; D368-F370 VanDerWaalsContact CG-CD2 3.42Å; D368-F370 PolarHBondContact O-N 2.61Å; D368-F370 VanDerWaalsContact OD1-CB 3.25Å; D368-F370 WeakPolarHBondContact OD1-CB 3.43Å; D368-F370 WeakPolarHBondContact OD1-CD2 3.48Å; D368-F370 VanDerWaalsContact OD1-CG 3.25Å; D368-F370 WeakPolarHBondContact OD1-CG 3.26Å; D368-F370 PolarHBondContact OD1-N 2.94Å; D368-F370 WeakPolarHBondContact OD2-CD2 3.36Å; D368-K371 WeakPolarHBondContact O-CB 3.49Å; D368-K371 PolarHBondContact O-N 3.06Å
369P45.3Very low35.1Very low22 Ų22108.3 Ų108.314%0.14355%0.545CS..G310 helixtrans-51.6-24.3170.1-23.133.3000111.9Y233 F320 E367 K371 F372 S373Y233-P369 HydrophobicContact CE1-CB 3.87Å; Y233-P369 HydrophobicContact CE1-CG 4.1Å; F320-P369 HydrophobicContact CE2-CB 3.82Å; F320-P369 WeakPolarHBondContact CE2-O 3.49Å; F320-P369 HydrophobicContact CZ-CB 4.17Å; E367-P369 VanDerWaalsContact O-CD 3.22Å; E367-P369 WeakPolarHBondContact O-CD 3.09Å; E367-P369 VanDerWaalsContact O-N 3.11Å; P369-K371 PolarHBondContact O-N 3.46Å; P369-F372 PolarHBondContact O-N 3.09Å; P369-S373 PolarHBondContact O-N 3.19Å
370F47.7Very low35.9Very low89 Ų89107 Ų10739%0.3953%0.533SS..G310 helixtrans-65.4-10174.8-56-62.5000114.7F320 D368 F372 S373 I376F320-F370 HydrophobicContact CE1-CD1 4.12Å; F320-F370 HydrophobicContact CE1-CE1 4.11Å; F320-F370 AromaticContact CZ-CD1 3.8Å; F320-F370 HydrophobicContact CZ-CD1 3.8Å; F320-F370 HydrophobicContact CZ-CE1 4.03Å; D368-F370 VanDerWaalsContact CG-CD2 3.42Å; D368-F370 PolarHBondContact O-N 2.61Å; D368-F370 VanDerWaalsContact OD1-CB 3.25Å; D368-F370 WeakPolarHBondContact OD1-CB 3.43Å; D368-F370 WeakPolarHBondContact OD1-CD2 3.48Å; D368-F370 VanDerWaalsContact OD1-CG 3.25Å; D368-F370 WeakPolarHBondContact OD1-CG 3.26Å; D368-F370 PolarHBondContact OD1-N 2.94Å; D368-F370 WeakPolarHBondContact OD2-CD2 3.36Å; F370-F372 VanDerWaalsContact C-N 3.32Å; F370-S373 VanDerWaalsContact C-OG 3.28Å; F370-S373 WeakPolarHBondContact CA-OG 3.39Å; F370-S373 PolarHBondContact O-OG 3.23Å; F370-I376 HydrophobicContact CB-CD1 3.65Å; F370-I376 HydrophobicContact CB-CG1 4.03Å; F370-I376 HydrophobicContact CG-CD1 4.28Å
371K48.7Very low36.9Very low128 Ų128106.7 Ų106.756%0.55753%0.528SS*.G310 helixtrans-69.9-28.8168-75.6-171.8-179.7-176.10112.8E367 D368 P369E367-K371 IonicContact OE1-NZ 3.45Å; E367-K371 PolarHBondContact OE1-NZ 3.43Å; D368-K371 WeakPolarHBondContact O-CB 3.49Å; D368-K371 PolarHBondContact O-N 3.06Å; P369-K371 PolarHBondContact O-N 3.46Å
372F48.9Very low38.8Very low33 Ų33106.3 Ų106.315%0.14552%0.517CS..THydrogen-bonded Turntrans-94.9-22.6-179.2-65.1-82.6000112.9M289 L293 R313 I316 P369 F370M289-F372 HydrophobicContact CE-CD1 4.41Å; M289-F372 HydrophobicContact CE-CD2 3.38Å; M289-F372 HydrophobicContact CE-CE1 4.35Å; M289-F372 HydrophobicContact CE-CE2 3.31Å; M289-F372 HydrophobicContact CE-CG 3.96Å; M289-F372 HydrophobicContact CE-CZ 3.83Å; L293-F372 HydrophobicContact CD1-CE1 3.74Å; L293-F372 HydrophobicContact CD1-CZ 3.93Å; R313-F372 WeakPolarHBondContact CG-O 3.19Å; I316-F372 HydrophobicContact CD1-CD1 4.29Å; I316-F372 HydrophobicContact CG2-CB 4.06Å; P369-F372 PolarHBondContact O-N 3.09Å; F370-F372 VanDerWaalsContact C-N 3.32Å
373S42.6Very low41.3Very low6 Ų6102.4 Ų102.44%0.04251%0.505CS..SBendtrans-57.3150.4160.358.50000108.4P369 F370P369-S373 PolarHBondContact O-N 3.19Å; F370-S373 VanDerWaalsContact C-OG 3.28Å; F370-S373 WeakPolarHBondContact CA-OG 3.39Å; F370-S373 PolarHBondContact O-OG 3.23Å
374K42.3Very low44Very low95 Ų95104.5 Ų104.541%0.41351%0.505SS..SBendtrans-40.6138.7160.2-77.8176.7178.9169.80108.8I376 E378K374-I376 PolarHBondContact O-N 2.94Å; K374-E378 WeakPolarHBondContact CD-OE1 3.31Å; K374-E378 IonicContact NZ-OE1 3.19Å; K374-E378 PolarHBondContact NZ-OE1 3.46Å
375P32.1Very low47.1Very low87 Ų87100.5 Ų100.557%0.56548%0.477SS*.  trans-45.2133.9178.820.3-32.5000107.8L377P375-L377 WeakPolarHBondContact O-CA 3.46Å; P375-L377 WeakPolarHBondContact O-CB 3.44Å; P375-L377 PolarHBondContact O-N 3.41Å
376I31.8Very low50.3Low122 Ų12289.7 Ų89.763%0.62644%0.435SS*.SBendtrans-52.859.6-170-57.9165.5000112.4F370 K374F370-I376 HydrophobicContact CB-CD1 3.65Å; F370-I376 HydrophobicContact CB-CG1 4.03Å; F370-I376 HydrophobicContact CG-CD1 4.28Å; K374-I376 PolarHBondContact O-N 2.94Å
377L28.8Very low53.3Low119 Ų11983.4 Ų83.462%0.62341%0.407SS*.  trans-141.919.1-170.5-88.7165.8000111.2P375P375-L377 WeakPolarHBondContact O-CA 3.46Å; P375-L377 WeakPolarHBondContact O-CB 3.44Å; P375-L377 PolarHBondContact O-N 3.41Å
378E33.7Very low55.9Low107 Ų10781.2 Ų81.250%0.540%0.397SS..  trans-95.636.7146.2-71-178.4-164.200109.8K374 N380K374-E378 WeakPolarHBondContact CD-OE1 3.31Å; K374-E378 IonicContact NZ-OE1 3.19Å; K374-E378 PolarHBondContact NZ-OE1 3.46Å; E378-N380 PolarHBondContact O-N 2.96Å
379R36.6Very low58Low215 Ų21583.3 Ų83.381%0.81140%0.404SS*.SBend-54.3107.5129.7-87-171.7-173.1-173.82.5102.4N381R379-N381 PolarHBondContact O-N 3.15Å
380N40.9Very low60.3Low114 Ų11482.8 Ų82.861%0.6140%0.399SS*.  trans-33.190172.9-70.2-22.5000109.1E378 D382E378-N380 PolarHBondContact O-N 2.96Å; N380-D382 PolarHBondContact O-N 3.09Å
381N48.1Very low62.4Low93 Ų9379.2 Ų79.250%0.49739%0.385SS..  trans-69.396.3155.5-94.1-15.400098.7R379 K383 D384R379-N381 PolarHBondContact O-N 3.15Å; N381-K383 PolarHBondContact O-N 3.3Å; N381-D384 PolarHBondContact O-N 3.18Å
382D64.6Low64.4Low103 Ų10379.9 Ų79.955%0.55139%0.388SS*.G310 helixtrans-46.2-26.4-177.7-78.3-28.8000110.3N380 D384 S385 H388N380-D382 PolarHBondContact O-N 3.09Å; D382-D384 VanDerWaalsContact C-N 3.31Å; D382-D384 PolarHBondContact O-N 3.23Å; D382-S385 WeakPolarHBondContact O-CB 3.4Å; D382-S385 PolarHBondContact O-N 3.4Å; D382-S385 VanDerWaalsContact O-N 3.12Å; D382-H388 WeakPolarHBondContact O-CB 3.19Å; D382-H388 VanDerWaalsContact O-CG 3.27Å; D382-H388 PolarHBondContact O-ND1 2.96Å
383K76.8Confident66.4Low132 Ų13279.5 Ų79.557%0.57439%0.387SS*.G310 helixtrans-47.3-36.8170.6-58.8-168.7175.4-170.20116.5N381 H388N381-K383 PolarHBondContact O-N 3.3Å; K383-H388 PolarHBondContact N-ND1 2.9Å
384D81Confident68.9Low92 Ų9279.2 Ų79.249%0.49239%0.385SS..G310 helixtrans-86.5-17-179.4-85.1-50.4000113.3K83 N381 D382K83-D384 IonicContact NZ-OD1 3.71Å; K83-D384 PolarHBondContact NZ-OD1 2.99Å; N381-D384 PolarHBondContact O-N 3.18Å; D382-D384 VanDerWaalsContact C-N 3.31Å; D382-D384 PolarHBondContact O-N 3.23Å
385S91.8Very high71.4Confident26 Ų2676.3 Ų76.318%0.18237%0.373CS..SBendtrans-69.7138.2176.6177.80000110.2E148 D382 F387 H388 K459E148-S385 VanDerWaalsContact CD-OG 3.25Å; E148-S385 WeakPolarHBondContact OE1-CA 2.8Å; E148-S385 PolarHBondContact OE1-OG 3.18Å; E148-S385 WeakPolarHBondContact OE2-CB 3.46Å; E148-S385 PolarHBondContact OE2-OG 3.33Å; D382-S385 WeakPolarHBondContact O-CB 3.4Å; D382-S385 PolarHBondContact O-N 3.4Å; D382-S385 VanDerWaalsContact O-N 3.12Å; S385-F387 PolarHBondContact O-N 3.05Å; S385-F387 VanDerWaalsContact O-N 3.12Å; S385-F387 PolarHBondContact OG-N 2.63Å; S385-F387 VanDerWaalsContact OG-N 3.12Å; S385-H388 WeakPolarHBondContact O-CB 3.46Å; S385-H388 PolarHBondContact O-N 2.94Å; S385-K459 WeakPolarHBondContact O-CD 3.49Å
386I94.8Very high74.3Confident0 Ų077.4 Ų77.40%037%0.369CS..THydrogen-bonded Turntrans-49.9-38.2168.5-67.4173.9000110.1C80 E148 R149 H388 W390 Y412 K459C80-I386 HydrophobicContact CB-CD1 4.01Å; E148-I386 HydrophobicContact CG-CB 4Å; E148-I386 HydrophobicContact CG-CD1 4.07Å; E148-I386 HydrophobicContact CG-CG1 4.23Å; E148-I386 WeakPolarHBondContact OE1-CG1 3.26Å; E148-I386 PolarHBondContact OE1-N 3.42Å; R149-I386 VanDerWaalsContact CZ-CD1 3.5Å; I386-H388 PolarHBondContact O-N 2.86Å; I386-W390 HydrophobicContact CG2-CH2 3.51Å; I386-W390 HydrophobicContact CG2-CZ2 3.47Å; I386-W390 VanDerWaalsContact CG2-CZ2 3.47Å; I386-W390 HydrophobicContact CG2-CZ3 4.09Å; I386-W390 PolarHBondContact O-NE1 3.48Å; I386-Y412 HydrophobicContact CD1-CD1 4.43Å; I386-Y412 HydrophobicContact CD1-CD2 4.25Å; I386-Y412 HydrophobicContact CD1-CG 3.93Å; I386-Y412 HydrophobicContact CG1-CD1 3.83Å; I386-Y412 HydrophobicContact CG1-CD2 4.4Å; I386-Y412 HydrophobicContact CG1-CE1 4.38Å; I386-Y412 HydrophobicContact CG1-CG 3.84Å; I386-Y412 HydrophobicContact CG2-CD1 4.34Å; I386-Y412 HydrophobicContact CG2-CD2 4.27Å; I386-Y412 HydrophobicContact CG2-CE1 4.12Å; I386-Y412 HydrophobicContact CG2-CE2 4.08Å; I386-Y412 HydrophobicContact CG2-CG 4.41Å; I386-K459 PolarHBondContact O-NZ 3.15Å
387F94.8Very high77.3Confident27 Ų2772.4 Ų72.412%0.11834%0.342CS..THydrogen-bonded Turntrans-76.7-3.7-175.5-55-32.4000114.5E148 S385 H389 W390 I395 F398E148-F387 HydrophobicContact CB-CD2 4.4Å; E148-F387 HydrophobicContact CB-CE2 3.63Å; E148-F387 HydrophobicContact CB-CZ 3.81Å; E148-F387 HydrophobicContact CG-CD2 4.24Å; E148-F387 HydrophobicContact CG-CE1 4.28Å; E148-F387 HydrophobicContact CG-CE2 3.81Å; E148-F387 HydrophobicContact CG-CZ 3.84Å; S385-F387 PolarHBondContact O-N 3.05Å; S385-F387 VanDerWaalsContact O-N 3.12Å; S385-F387 PolarHBondContact OG-N 2.63Å; S385-F387 VanDerWaalsContact OG-N 3.12Å; F387-H389 PolarHBondContact O-N 3.36Å; F387-W390 HydrophobicContact CD1-CD2 4.43Å; F387-W390 AromaticContact CD1-CE3 3.74Å; F387-W390 HydrophobicContact CD1-CE3 3.74Å; F387-W390 AromaticContact CD1-CZ3 3.95Å; F387-W390 HydrophobicContact CD1-CZ3 3.95Å; F387-W390 HydrophobicContact CE1-CE3 4.32Å; F387-W390 HydrophobicContact CE1-CZ3 4.11Å; F387-W390 WeakPolarHBondContact O-CB 3.46Å; F387-W390 PolarHBondContact O-N 3.31Å; F387-I395 HydrophobicContact CB-CD1 3.88Å; F387-I395 HydrophobicContact CB-CG1 3.94Å; F387-I395 HydrophobicContact CD1-CG1 4.15Å; F387-I395 HydrophobicContact CD1-CG2 4.25Å; F387-I395 HydrophobicContact CD2-CG2 4.06Å; F387-I395 HydrophobicContact CE2-CG2 4.32Å; F387-I395 HydrophobicContact CG-CD1 4.48Å; F387-I395 HydrophobicContact CG-CG1 4.11Å; F387-I395 HydrophobicContact CG-CG2 4.02Å; F387-F398 HydrophobicContact CE1-CB 4.22Å; F387-F398 AromaticContact CE1-CD1 3.59Å; F387-F398 HydrophobicContact CE1-CD1 3.59Å; F387-F398 HydrophobicContact CE1-CD2 4.2Å; F387-F398 AromaticContact CE1-CE1 3.94Å; F387-F398 HydrophobicContact CE1-CE1 3.94Å; F387-F398 HydrophobicContact CE1-CE2 4.46Å; F387-F398 AromaticContact CE1-CG 3.75Å; F387-F398 HydrophobicContact CE1-CG 3.75Å; F387-F398 HydrophobicContact CE1-CZ 4.35Å; F387-F398 AromaticContact CZ-CD1 3.46Å; F387-F398 HydrophobicContact CZ-CD1 3.46Å; F387-F398 VanDerWaalsContact CZ-CD1 3.46Å; F387-F398 AromaticContact CZ-CE1 3.64Å; F387-F398 HydrophobicContact CZ-CE1 3.64Å; F387-F398 HydrophobicContact CZ-CG 4.11Å; F387-F398 HydrophobicContact CZ-CZ 4.38Å
388H93.9Very high80.6Confident27 Ų2766.8 Ų66.813%0.12531%0.313CS..THydrogen-bonded Turntrans-54.4125.6177.8-16348.9000111.2D382 K383 S385 I386 W390 K459D382-H388 WeakPolarHBondContact O-CB 3.19Å; D382-H388 VanDerWaalsContact O-CG 3.27Å; D382-H388 PolarHBondContact O-ND1 2.96Å; K383-H388 PolarHBondContact N-ND1 2.9Å; S385-H388 WeakPolarHBondContact O-CB 3.46Å; S385-H388 PolarHBondContact O-N 2.94Å; I386-H388 PolarHBondContact O-N 2.86Å; H388-W390 PolarHBondContact O-N 3.46Å; H388-K459 HydrophobicContact CB-CD 3.81Å; H388-K459 PolarHBondContact O-NZ 3.36Å
389H92.7Very high83.6Confident113 Ų11365 Ų6552%0.52330%0.303SS..THydrogen-bonded Turntrans58.84.4-177.9-60.5175.2000115.9F387 L454 T456F387-H389 PolarHBondContact O-N 3.36Å; H389-L454 HydrophobicContact CB-CB 4.38Å; H389-L454 HydrophobicContact CB-CD1 4.24Å; H389-L454 HydrophobicContact CB-CD2 4.32Å; H389-L454 WeakPolarHBondContact O-CD1 3.43Å; H389-L454 WeakPolarHBondContact O-CD2 3.49Å; H389-T456 HydrophobicContact CB-CG2 4.22Å; H389-T456 WeakPolarHBondContact ND1-CG2 3.38Å
390W93.4Very high86.4Confident11 Ų1155.8 Ų55.84%0.04227%0.272CS..  trans-66143.2174.7-82.718000110.7I386 F387 H388 K392 L394 I395 F398 L408 Y412 E451I386-W390 HydrophobicContact CG2-CH2 3.51Å; I386-W390 HydrophobicContact CG2-CZ2 3.47Å; I386-W390 VanDerWaalsContact CG2-CZ2 3.47Å; I386-W390 HydrophobicContact CG2-CZ3 4.09Å; I386-W390 PolarHBondContact O-NE1 3.48Å; F387-W390 HydrophobicContact CD1-CD2 4.43Å; F387-W390 AromaticContact CD1-CE3 3.74Å; F387-W390 HydrophobicContact CD1-CE3 3.74Å; F387-W390 AromaticContact CD1-CZ3 3.95Å; F387-W390 HydrophobicContact CD1-CZ3 3.95Å; F387-W390 HydrophobicContact CE1-CE3 4.32Å; F387-W390 HydrophobicContact CE1-CZ3 4.11Å; F387-W390 WeakPolarHBondContact O-CB 3.46Å; F387-W390 PolarHBondContact O-N 3.31Å; H388-W390 PolarHBondContact O-N 3.46Å; W390-K392 PolarHBondContact O-N 3.03Å; W390-L394 HydrophobicContact CB-CD2 4.38Å; W390-L394 HydrophobicContact CD2-CD2 3.63Å; W390-L394 HydrophobicContact CD2-CG 4.34Å; W390-L394 HydrophobicContact CE3-CB 4.39Å; W390-L394 HydrophobicContact CE3-CD2 3.62Å; W390-L394 HydrophobicContact CE3-CG 3.83Å; W390-L394 HydrophobicContact CG-CD2 4Å; W390-L394 HydrophobicContact CH2-CD2 4.48Å; W390-L394 HydrophobicContact CZ2-CD2 4.47Å; W390-L394 HydrophobicContact CZ3-CD2 4.08Å; W390-L394 HydrophobicContact CZ3-CG 4.13Å; W390-I395 HydrophobicContact CB-CD1 4.09Å; W390-I395 HydrophobicContact CB-CG1 3.76Å; W390-I395 HydrophobicContact CE3-CG1 4.32Å; W390-F398 HydrophobicContact CH2-CD2 4.45Å; W390-F398 HydrophobicContact CZ3-CB 4.41Å; W390-F398 HydrophobicContact CZ3-CD2 4.14Å; W390-L408 HydrophobicContact CH2-CD1 4.11Å; W390-Y412 HydrophobicContact CZ2-CE2 4.11Å; W390-Y412 AromaticContact CZ2-CZ 3.88Å; W390-Y412 VanDerWaalsContact CZ2-OH 3.31Å; W390-Y412 WeakPolarHBondContact CZ2-OH 3.46Å; W390-E451 PolarHBondContact NE1-OE1 3.26Å
391P92Very high89.1Confident14 Ų1451.3 Ų51.39%0.09125%0.248CC..  trans-53.8136.8170.3-25.534.2000111E393 L394 I395 V632 F636P391-E393 PolarHBondContact O-N 3.46Å; P391-E393 VanDerWaalsContact O-N 3.11Å; P391-L394 HydrophobicContact CB-CB 4.29Å; P391-L394 WeakPolarHBondContact O-CA 3.12Å; P391-L394 VanDerWaalsContact O-CB 3.29Å; P391-L394 WeakPolarHBondContact O-CB 3.41Å; P391-L394 PolarHBondContact O-N 2.58Å; P391-I395 PolarHBondContact O-N 3.19Å; P391-V632 HydrophobicContact CB-CG1 4.3Å; P391-F636 HydrophobicContact CB-CD2 4.49Å; P391-F636 HydrophobicContact CG-CD1 4.45Å; P391-F636 HydrophobicContact CG-CD2 3.69Å; P391-F636 HydrophobicContact CG-CE2 3.8Å; P391-F636 HydrophobicContact CG-CG 4.05Å; P391-F636 HydrophobicContact CG-CZ 4.23Å
392K91.2Very high91.4Very high142 Ų14249.9 Ų49.962%0.61724%0.239SC*.Hα-helixtrans-52.4-39.1-177.5-70.4175.7179.2168.40112.7W390 I395 K396 E643W390-K392 PolarHBondContact O-N 3.03Å; K392-I395 PolarHBondContact O-N 3.2Å; K392-K396 PolarHBondContact O-N 3.07Å; K392-E643 IonicContact NZ-OE1 3.85Å; K392-E643 PolarHBondContact NZ-OE1 3.46Å
393E91.2Very high92.9Very high25 Ų2545.1 Ų45.112%0.11721%0.213CC..Hα-helixtrans-66.8-36.1177.1-175.165.7-158.100112.5P391 I395 K396 R397 V632 T646P391-E393 PolarHBondContact O-N 3.46Å; P391-E393 VanDerWaalsContact O-N 3.11Å; E393-I395 VanDerWaalsContact C-N 3.33Å; E393-I395 PolarHBondContact O-N 3.34Å; E393-K396 WeakPolarHBondContact O-CB 3.36Å; E393-K396 PolarHBondContact O-N 3.05Å; E393-K396 IonicContact OE1-NZ 2.71Å; E393-K396 PolarHBondContact OE1-NZ 3.38Å; E393-K396 WeakPolarHBondContact OE2-CD 3.44Å; E393-K396 IonicContact OE2-NZ 3.19Å; E393-K396 PolarHBondContact OE2-NZ 3.25Å; E393-R397 HydrophobicContact CG-CG 4.44Å; E393-R397 WeakPolarHBondContact O-CB 3.44Å; E393-R397 WeakPolarHBondContact O-CG 3.22Å; E393-R397 PolarHBondContact O-N 3.26Å; E393-R397 IonicContact OE1-NE 2.58Å; E393-R397 PolarHBondContact OE1-NE 2.95Å; E393-V632 HydrophobicContact CB-CG1 4.46Å; E393-V632 HydrophobicContact CB-CG2 4.49Å; E393-V632 HydrophobicContact CG-CG2 3.88Å; E393-T646 VanDerWaalsContact CG-OG1 3.3Å; E393-T646 WeakPolarHBondContact CG-OG1 3.42Å
394L94.1Very high93.8Very high0 Ų039.4 Ų39.40%019%0.189CC..Hα-helixtrans-63.7-42.9176.3-16769.7000110.8W390 P391 K396 R397 F398 L403 L450 L629 V632W390-L394 HydrophobicContact CB-CD2 4.38Å; W390-L394 HydrophobicContact CD2-CD2 3.63Å; W390-L394 HydrophobicContact CD2-CG 4.34Å; W390-L394 HydrophobicContact CE3-CB 4.39Å; W390-L394 HydrophobicContact CE3-CD2 3.62Å; W390-L394 HydrophobicContact CE3-CG 3.83Å; W390-L394 HydrophobicContact CG-CD2 4Å; W390-L394 HydrophobicContact CH2-CD2 4.48Å; W390-L394 HydrophobicContact CZ2-CD2 4.47Å; W390-L394 HydrophobicContact CZ3-CD2 4.08Å; W390-L394 HydrophobicContact CZ3-CG 4.13Å; P391-L394 HydrophobicContact CB-CB 4.29Å; P391-L394 WeakPolarHBondContact O-CA 3.12Å; P391-L394 VanDerWaalsContact O-CB 3.29Å; P391-L394 WeakPolarHBondContact O-CB 3.41Å; P391-L394 PolarHBondContact O-N 2.58Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 2.93Å; L394-R397 PolarHBondContact O-N 3.46Å; L394-F398 WeakPolarHBondContact O-CB 3.37Å; L394-F398 PolarHBondContact O-N 3.08Å; L394-L403 HydrophobicContact CD1-CD1 3.55Å; L394-L403 HydrophobicContact CG-CD1 4.06Å; L394-L450 HydrophobicContact CD2-CD2 3.47Å; L394-L450 VanDerWaalsContact CD2-CD2 3.47Å; L394-L629 HydrophobicContact CD1-CD1 3.64Å; L394-V632 HydrophobicContact CB-CG1 4.12Å; L394-V632 HydrophobicContact CD1-CB 4.32Å; L394-V632 HydrophobicContact CD1-CG1 4.32Å
395I94.8Very high94.5Very high34 Ų3435.1 Ų35.117%0.17417%0.166CC..Hα-helixtrans-61.2-44.8175.1-58.4169.5000110.2F387 W390 P391 K392 E393 F398 K399F387-I395 HydrophobicContact CB-CD1 3.88Å; F387-I395 HydrophobicContact CB-CG1 3.94Å; F387-I395 HydrophobicContact CD1-CG1 4.15Å; F387-I395 HydrophobicContact CD1-CG2 4.25Å; F387-I395 HydrophobicContact CD2-CG2 4.06Å; F387-I395 HydrophobicContact CE2-CG2 4.32Å; F387-I395 HydrophobicContact CG-CD1 4.48Å; F387-I395 HydrophobicContact CG-CG1 4.11Å; F387-I395 HydrophobicContact CG-CG2 4.02Å; W390-I395 HydrophobicContact CB-CD1 4.09Å; W390-I395 HydrophobicContact CB-CG1 3.76Å; W390-I395 HydrophobicContact CE3-CG1 4.32Å; P391-I395 PolarHBondContact O-N 3.19Å; K392-I395 PolarHBondContact O-N 3.2Å; E393-I395 VanDerWaalsContact C-N 3.33Å; E393-I395 PolarHBondContact O-N 3.34Å; I395-F398 WeakPolarHBondContact O-CB 3.34Å; I395-F398 PolarHBondContact O-N 2.97Å; I395-K399 HydrophobicContact CG2-CD 4.12Å; I395-K399 HydrophobicContact CG2-CG 4.48Å; I395-K399 WeakPolarHBondContact O-CB 3.35Å; I395-K399 WeakPolarHBondContact O-CG 3.3Å; I395-K399 PolarHBondContact O-N 3.11Å
396K93.8Very high94.4Very high110 Ų11036.7 Ų36.748%0.47818%0.177SC..Hα-helixtrans-60.2-46.9176.8177.1-176.2156-146.10111.8K392 E393 L394 F398 K399 S400K392-K396 PolarHBondContact O-N 3.07Å; E393-K396 WeakPolarHBondContact O-CB 3.36Å; E393-K396 PolarHBondContact O-N 3.05Å; E393-K396 IonicContact OE1-NZ 2.71Å; E393-K396 PolarHBondContact OE1-NZ 3.38Å; E393-K396 WeakPolarHBondContact OE2-CD 3.44Å; E393-K396 IonicContact OE2-NZ 3.19Å; E393-K396 PolarHBondContact OE2-NZ 3.25Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 2.93Å; K396-F398 VanDerWaalsContact C-N 3.32Å; K396-F398 PolarHBondContact O-N 3.14Å; K396-K399 PolarHBondContact O-N 3.3Å; K396-S400 WeakPolarHBondContact O-CB 3.32Å; K396-S400 PolarHBondContact O-N 2.95Å; K396-S400 PolarHBondContact O-OG 3.37Å
397R95.1Very high94.3Very high17 Ų1738 Ų386%0.06419%0.185CC..Hα-helixtrans-65.7-32177.5-71.5-171.8-177-144.5-7.5113.3E393 L394 S400 L401 E402 L403 A628 E631E393-R397 HydrophobicContact CG-CG 4.44Å; E393-R397 WeakPolarHBondContact O-CB 3.44Å; E393-R397 WeakPolarHBondContact O-CG 3.22Å; E393-R397 PolarHBondContact O-N 3.26Å; E393-R397 IonicContact OE1-NE 2.58Å; E393-R397 PolarHBondContact OE1-NE 2.95Å; L394-R397 PolarHBondContact O-N 3.46Å; R397-S400 WeakPolarHBondContact CA-OG 3.4Å; R397-S400 PolarHBondContact O-OG 3.25Å; R397-L401 PolarHBondContact O-N 2.88Å; R397-E402 HydrophobicContact CB-CB 4.1Å; R397-E402 HydrophobicContact CG-CB 4.42Å; R397-E402 PolarHBondContact O-N 3.49Å; R397-L403 HydrophobicContact CB-CD1 4.38Å; R397-L403 HydrophobicContact CB-CG 4.14Å; R397-L403 PolarHBondContact O-N 3.21Å; R397-L403 VanDerWaalsContact O-N 3.11Å; R397-A628 PolarHBondContact NH1-O 2.94Å; R397-E631 IonicContact CZ-OE2 3.35Å; R397-E631 IonicContact NH1-OE2 3.62Å; R397-E631 PolarHBondContact NH1-OE2 3.28Å; R397-E631 IonicContact NH2-OE2 2.63Å; R397-E631 PolarHBondContact NH2-OE2 2.68Å
398F97.5Very high94.3Very high0 Ų036.7 Ų36.70%018%0.179CC..Hα-helixtrans-64.9-52.1169-176.7-76.7000110.8A146 C147 F387 W390 L394 I395 K396 S400 L401 L403 P405 L408A146-F398 HydrophobicContact CB-CE1 4.44Å; C147-F398 WeakPolarHBondContact O-CE1 3.36Å; F387-F398 HydrophobicContact CE1-CB 4.22Å; F387-F398 AromaticContact CE1-CD1 3.59Å; F387-F398 HydrophobicContact CE1-CD1 3.59Å; F387-F398 HydrophobicContact CE1-CD2 4.2Å; F387-F398 AromaticContact CE1-CE1 3.94Å; F387-F398 HydrophobicContact CE1-CE1 3.94Å; F387-F398 HydrophobicContact CE1-CE2 4.46Å; F387-F398 AromaticContact CE1-CG 3.75Å; F387-F398 HydrophobicContact CE1-CG 3.75Å; F387-F398 HydrophobicContact CE1-CZ 4.35Å; F387-F398 AromaticContact CZ-CD1 3.46Å; F387-F398 HydrophobicContact CZ-CD1 3.46Å; F387-F398 VanDerWaalsContact CZ-CD1 3.46Å; F387-F398 AromaticContact CZ-CE1 3.64Å; F387-F398 HydrophobicContact CZ-CE1 3.64Å; F387-F398 HydrophobicContact CZ-CG 4.11Å; F387-F398 HydrophobicContact CZ-CZ 4.38Å; W390-F398 HydrophobicContact CH2-CD2 4.45Å; W390-F398 HydrophobicContact CZ3-CB 4.41Å; W390-F398 HydrophobicContact CZ3-CD2 4.14Å; L394-F398 WeakPolarHBondContact O-CB 3.37Å; L394-F398 PolarHBondContact O-N 3.08Å; I395-F398 WeakPolarHBondContact O-CB 3.34Å; I395-F398 PolarHBondContact O-N 2.97Å; K396-F398 VanDerWaalsContact C-N 3.32Å; K396-F398 PolarHBondContact O-N 3.14Å; F398-S400 VanDerWaalsContact C-N 3.27Å; F398-S400 PolarHBondContact O-N 2.67Å; F398-L401 PolarHBondContact O-N 3.44Å; F398-L403 HydrophobicContact CB-CD1 4.23Å; F398-P405 HydrophobicContact CE1-CG 4.28Å; F398-P405 HydrophobicContact CE2-CB 3.96Å; F398-P405 HydrophobicContact CE2-CG 3.97Å; F398-P405 HydrophobicContact CZ-CB 3.82Å; F398-P405 HydrophobicContact CZ-CG 3.77Å; F398-L408 HydrophobicContact CD2-CD1 3.89Å; F398-L408 HydrophobicContact CE2-CD1 3.74Å
399K96.5Very high94.4Very high69 Ų6935.7 Ų35.730%0.317%0.174SC..Hα-helixtrans-63.4-30.3-178.8-73.7-178.3176-175.90113I145 A146 I395 K396 L401I145-K399 HydrophobicContact CD1-CD 4.36Å; I145-K399 HydrophobicContact CG1-CB 4.27Å; A146-K399 PolarHBondContact N-O 3.15Å; I395-K399 HydrophobicContact CG2-CD 4.12Å; I395-K399 HydrophobicContact CG2-CG 4.48Å; I395-K399 WeakPolarHBondContact O-CB 3.35Å; I395-K399 WeakPolarHBondContact O-CG 3.3Å; I395-K399 PolarHBondContact O-N 3.11Å; K396-K399 PolarHBondContact O-N 3.3Å; K399-L401 VanDerWaalsContact C-N 3.35Å
400S95.9Very high94.4Very high23 Ų2330.5 Ų30.516%0.16115%0.151CC..THydrogen-bonded Turntrans-87.52.7174.970.20000114.3R138 Y144 K396 R397 F398 E402R138-S400 PolarHBondContact NH2-O 3.37Å; R138-S400 VanDerWaalsContact NH2-O 3.13Å; Y144-S400 WeakPolarHBondContact CE2-O 3.42Å; Y144-S400 PolarHBondContact OH-O 2.94Å; K396-S400 WeakPolarHBondContact O-CB 3.32Å; K396-S400 PolarHBondContact O-N 2.95Å; K396-S400 PolarHBondContact O-OG 3.37Å; R397-S400 WeakPolarHBondContact CA-OG 3.4Å; R397-S400 PolarHBondContact O-OG 3.25Å; F398-S400 VanDerWaalsContact C-N 3.27Å; F398-S400 PolarHBondContact O-N 2.67Å; S400-E402 PolarHBondContact O-N 3.49Å; S400-E402 PolarHBondContact OG-OE1 2.95Å
401L97.5Very high94.5Very high20 Ų2030 Ų3011%0.10515%0.149CC..THydrogen-bonded Turntrans56.932.2179.9-62.7178.1000115F77 V134 A146 R397 F398 K399 L403 P405F77-L401 HydrophobicContact CB-CD1 3.72Å; F77-L401 HydrophobicContact CD1-CD1 3.75Å; F77-L401 HydrophobicContact CD2-CD1 3.73Å; F77-L401 HydrophobicContact CE1-CD1 4.25Å; F77-L401 HydrophobicContact CE2-CD1 4.22Å; F77-L401 HydrophobicContact CG-CD1 3.46Å; F77-L401 VanDerWaalsContact CG-CD1 3.46Å; F77-L401 HydrophobicContact CZ-CD1 4.45Å; V134-L401 HydrophobicContact CG1-CB 4.16Å; V134-L401 HydrophobicContact CG2-CB 4.03Å; V134-L401 HydrophobicContact CG2-CD1 3.54Å; V134-L401 HydrophobicContact CG2-CG 4.44Å; A146-L401 HydrophobicContact CB-CD1 4.3Å; A146-L401 HydrophobicContact CB-CD2 3.46Å; A146-L401 VanDerWaalsContact CB-CD2 3.46Å; A146-L401 HydrophobicContact CB-CG 3.8Å; R397-L401 PolarHBondContact O-N 2.88Å; F398-L401 PolarHBondContact O-N 3.44Å; K399-L401 VanDerWaalsContact C-N 3.35Å; L401-L403 VanDerWaalsContact C-N 3.3Å; L401-P405 HydrophobicContact CD2-CG 3.83Å
402E95.7Very high94.7Very high63 Ų6329.3 Ų29.329%0.29415%0.145SC..SBendtrans-75.8-27.4159.8-66.8169.4-117.700110.5R397 S400 A628R397-E402 HydrophobicContact CB-CB 4.1Å; R397-E402 HydrophobicContact CG-CB 4.42Å; R397-E402 PolarHBondContact O-N 3.49Å; S400-E402 PolarHBondContact O-N 3.49Å; S400-E402 PolarHBondContact OG-OE1 2.95Å; E402-A628 HydrophobicContact CB-CB 4.08Å
403L97.2Very high94.9Very high2 Ų222.8 Ų22.81%0.0112%0.116CC..SBendtrans-98141.8165.5-51.8177.6000111L394 R397 F398 L401 P405 H625 A628 L629L394-L403 HydrophobicContact CD1-CD1 3.55Å; L394-L403 HydrophobicContact CG-CD1 4.06Å; R397-L403 HydrophobicContact CB-CD1 4.38Å; R397-L403 HydrophobicContact CB-CG 4.14Å; R397-L403 PolarHBondContact O-N 3.21Å; R397-L403 VanDerWaalsContact O-N 3.11Å; F398-L403 HydrophobicContact CB-CD1 4.23Å; L401-L403 VanDerWaalsContact C-N 3.3Å; L403-P405 VanDerWaalsContact O-CD 3.32Å; L403-P405 WeakPolarHBondContact O-CD 3.49Å; L403-H625 WeakPolarHBondContact CA-ND1 3.18Å; L403-A628 HydrophobicContact CD2-CB 3.93Å; L403-L629 HydrophobicContact CD2-CB 4.02Å
404I95Very high95Very high13 Ų1327 Ų277%0.06713%0.131CC..  trans-94.5110.3-177.6-58.7168.9000108.8H131 S406 V407 S621 H625H131-I404 WeakPolarHBondContact NE2-CD1 3.47Å; I404-S406 VanDerWaalsContact C-N 3.32Å; I404-S406 WeakPolarHBondContact CG2-OG 3.08Å; I404-S406 PolarHBondContact O-N 3.47Å; I404-V407 HydrophobicContact CB-CB 4.49Å; I404-V407 HydrophobicContact CB-CG2 3.9Å; I404-V407 HydrophobicContact CG2-CG2 3.91Å; I404-V407 WeakPolarHBondContact O-CB 3.47Å; I404-V407 PolarHBondContact O-N 3.21Å; I404-V407 VanDerWaalsContact O-N 3.12Å; I404-S621 VanDerWaalsContact CD1-O 3.28Å; I404-S621 WeakPolarHBondContact CD1-O 3.11Å; I404-H625 HydrophobicContact CD1-CB 3.88Å; I404-H625 HydrophobicContact CG1-CB 4.07Å; I404-H625 PolarHBondContact N-ND1 3.35Å; I404-H625 VanDerWaalsContact N-ND1 3.18Å
405P95.1Very high94.9Very high2 Ų230 Ų301%0.01315%0.148CC..Hα-helixtrans-60.7-37.8-175-26.937.3000113.8G79 F398 L401 L403 V407 L408 D409G79-P405 WeakPolarHBondContact O-CB 3.38Å; F398-P405 HydrophobicContact CE1-CG 4.28Å; F398-P405 HydrophobicContact CE2-CB 3.96Å; F398-P405 HydrophobicContact CE2-CG 3.97Å; F398-P405 HydrophobicContact CZ-CB 3.82Å; F398-P405 HydrophobicContact CZ-CG 3.77Å; L401-P405 HydrophobicContact CD2-CG 3.83Å; L403-P405 VanDerWaalsContact O-CD 3.32Å; L403-P405 WeakPolarHBondContact O-CD 3.49Å; P405-V407 PolarHBondContact O-N 3.07Å; P405-V407 VanDerWaalsContact O-N 3.1Å; P405-L408 WeakPolarHBondContact O-CA 3.43Å; P405-L408 VanDerWaalsContact O-CB 3.32Å; P405-L408 WeakPolarHBondContact O-CB 3.36Å; P405-L408 PolarHBondContact O-N 2.89Å; P405-D409 PolarHBondContact O-N 3.3Å
406S90.4Very high94.7Very high59 Ų5928.8 Ų28.841%0.41314%0.143SC..Hα-helixtrans-64.4-18-179.966.70000114.3I404 L408I404-S406 VanDerWaalsContact C-N 3.32Å; I404-S406 WeakPolarHBondContact CG2-OG 3.08Å; I404-S406 PolarHBondContact O-N 3.47Å; S406-L408 VanDerWaalsContact C-N 3.26Å
407V92.3Very high94.4Very high27 Ų2724.4 Ų24.416%0.16413%0.128CC..Hα-helixtrans-71.9-28.3172.1171.90000110.5I404 P405 L443 N444I404-V407 HydrophobicContact CB-CB 4.49Å; I404-V407 HydrophobicContact CB-CG2 3.9Å; I404-V407 HydrophobicContact CG2-CG2 3.91Å; I404-V407 WeakPolarHBondContact O-CB 3.47Å; I404-V407 PolarHBondContact O-N 3.21Å; I404-V407 VanDerWaalsContact O-N 3.12Å; P405-V407 PolarHBondContact O-N 3.07Å; P405-V407 VanDerWaalsContact O-N 3.1Å; V407-L443 HydrophobicContact CG1-CB 4.11Å; V407-L443 HydrophobicContact CG1-CD1 3.92Å; V407-N444 PolarHBondContact O-OD1 3.25Å
408L95.4Very high94.3Very high0 Ų024.6 Ų24.60%013%0.131CC..Hα-helixtrans-87.7-10.6-175.9-54.1175.5000112.8W390 F398 P405 S406 C410 M411 Y412 I447W390-L408 HydrophobicContact CH2-CD1 4.11Å; F398-L408 HydrophobicContact CD2-CD1 3.89Å; F398-L408 HydrophobicContact CE2-CD1 3.74Å; P405-L408 WeakPolarHBondContact O-CA 3.43Å; P405-L408 VanDerWaalsContact O-CB 3.32Å; P405-L408 WeakPolarHBondContact O-CB 3.36Å; P405-L408 PolarHBondContact O-N 2.89Å; S406-L408 VanDerWaalsContact C-N 3.26Å; L408-C410 VanDerWaalsContact C-N 3.26Å; L408-C410 PolarHBondContact O-N 3.01Å; L408-M411 WeakPolarHBondContact O-CA 3.39Å; L408-M411 WeakPolarHBondContact O-CB 3.14Å; L408-M411 PolarHBondContact O-N 3.49Å; L408-Y412 HydrophobicContact CB-CD2 3.85Å; L408-Y412 HydrophobicContact CB-CE2 4.13Å; L408-Y412 WeakPolarHBondContact O-CD2 3.4Å; L408-Y412 PolarHBondContact O-N 2.93Å; L408-I447 HydrophobicContact CD2-CD1 3.62Å; L408-I447 HydrophobicContact CD2-CG1 3.55Å
409D94.9Very high93.9Very high5 Ų525.7 Ų25.73%0.02714%0.138CC..Hα-helixtrans-56.5-37.3178.6-77-25.1000112.5C80 H81 P405 M411 Y412 V413 A417C80-D409 VanDerWaalsContact CA-OD1 3.26Å; C80-D409 WeakPolarHBondContact CA-OD1 3.26Å; C80-D409 VanDerWaalsContact CB-OD1 3.3Å; C80-D409 WeakPolarHBondContact CB-OD1 3.3Å; H81-D409 IonicContact CE1-OD2 3.72Å; H81-D409 PolarHBondContact CE1-OD2 3.08Å; H81-D409 IonicContact CG-OD2 2.7Å; H81-D409 PolarHBondContact N-OD1 3.39Å; H81-D409 IonicContact ND1-OD1 3.81Å; H81-D409 IonicContact ND1-OD2 3.72Å; H81-D409 PolarHBondContact ND1-OD2 3.28Å; P405-D409 PolarHBondContact O-N 3.3Å; D409-M411 PolarHBondContact O-N 3.07Å; D409-Y412 PolarHBondContact O-N 3.29Å; D409-V413 HydrophobicContact CB-CB 4.43Å; D409-V413 HydrophobicContact CB-CG2 4.06Å; D409-V413 VanDerWaalsContact O-CB 3.29Å; D409-V413 WeakPolarHBondContact O-CB 3.5Å; D409-V413 PolarHBondContact O-N 2.86Å; D409-V413 WeakPolarHBondContact OD1-CG2 3.41Å; D409-A417 HydrophobicContact CB-CB 3.71Å
410C94Very high93.6Very high5 Ų526.7 Ų26.73%0.03414%0.14CC..Hα-helixtrans-55.8-27.6176-730000112.9L408 A417 G462 V468L408-C410 VanDerWaalsContact C-N 3.26Å; L408-C410 PolarHBondContact O-N 3.01Å; C410-A417 WeakPolarHBondContact SG-CB 3.42Å; C410-G462 CarbonylContact O-C 3.56Å; C410-V468 HydrophobicContact CB-CB 4.46Å
411M95.8Very high93.4Very high0 Ų025.7 Ų25.70%013%0.132CC..Hα-helixtrans-96.4-42.1-175.1-55.1-55.4-69.400111.5L408 D409 N444 I447 L460 C461 G462 M463 V468 L486L408-M411 WeakPolarHBondContact O-CA 3.39Å; L408-M411 WeakPolarHBondContact O-CB 3.14Å; L408-M411 PolarHBondContact O-N 3.49Å; D409-M411 PolarHBondContact O-N 3.07Å; M411-N444 HydrophobicContact CG-CB 4.42Å; M411-N444 HydrophobicContact SD-CB 3.72Å; M411-I447 HydrophobicContact CB-CG2 4.26Å; M411-I447 HydrophobicContact CE-CG2 4.36Å; M411-I447 HydrophobicContact CG-CB 4.44Å; M411-I447 HydrophobicContact CG-CG2 4.07Å; M411-L460 HydrophobicContact CB-CD2 3.94Å; M411-L460 HydrophobicContact CE-CD1 4.32Å; M411-L460 HydrophobicContact CE-CD2 3.95Å; M411-L460 CarbonylContact O-C 3.55Å; M411-L460 VanDerWaalsContact O-CA 3.26Å; M411-L460 WeakPolarHBondContact O-CA 3.38Å; M411-C461 PolarHBondContact O-N 3.46Å; M411-G462 PolarHBondContact O-N 3.45Å; M411-M463 HydrophobicContact CE-CG 4Å; M411-M463 HydrophobicContact CE-SD 3.27Å; M411-M463 WeakPolarHBondContact CE-SD 3.25Å; M411-M463 HydrophobicContact SD-CG 4.37Å; M411-M463 HydrophobicContact SD-SD 4.3Å; M411-V468 HydrophobicContact SD-CG1 3.71Å; M411-L486 HydrophobicContact CE-CD2 3.72Å; M411-L486 HydrophobicContact SD-CD2 3.75Å
412Y96.1Very high93.2Very high0 Ų025 Ų250%013%0.129CC..Hα-helixtrans-110.98.6-168.8-60-73.5000115.3R149 I386 W390 L408 D409 I447 E451 K459 L460 C461R149-Y412 PolarHBondContact NH1-O 3.44Å; R149-Y412 PolarHBondContact NH2-O 2.89Å; R149-Y412 VanDerWaalsContact NH2-O 3.12Å; I386-Y412 HydrophobicContact CD1-CD1 4.43Å; I386-Y412 HydrophobicContact CD1-CD2 4.25Å; I386-Y412 HydrophobicContact CD1-CG 3.93Å; I386-Y412 HydrophobicContact CG1-CD1 3.83Å; I386-Y412 HydrophobicContact CG1-CD2 4.4Å; I386-Y412 HydrophobicContact CG1-CE1 4.38Å; I386-Y412 HydrophobicContact CG1-CG 3.84Å; I386-Y412 HydrophobicContact CG2-CD1 4.34Å; I386-Y412 HydrophobicContact CG2-CD2 4.27Å; I386-Y412 HydrophobicContact CG2-CE1 4.12Å; I386-Y412 HydrophobicContact CG2-CE2 4.08Å; I386-Y412 HydrophobicContact CG2-CG 4.41Å; W390-Y412 HydrophobicContact CZ2-CE2 4.11Å; W390-Y412 AromaticContact CZ2-CZ 3.88Å; W390-Y412 VanDerWaalsContact CZ2-OH 3.31Å; W390-Y412 WeakPolarHBondContact CZ2-OH 3.46Å; L408-Y412 HydrophobicContact CB-CD2 3.85Å; L408-Y412 HydrophobicContact CB-CE2 4.13Å; L408-Y412 WeakPolarHBondContact O-CD2 3.4Å; L408-Y412 PolarHBondContact O-N 2.93Å; D409-Y412 PolarHBondContact O-N 3.29Å; Y412-I447 HydrophobicContact CE2-CG2 3.81Å; Y412-I447 WeakPolarHBondContact OH-CG2 3.39Å; Y412-E451 PolarHBondContact OH-OE1 3.49Å; Y412-K459 HydrophobicContact CD1-CB 4.43Å; Y412-K459 HydrophobicContact CE1-CB 4.2Å; Y412-L460 HydrophobicContact CD1-CD2 4.28Å; Y412-L460 HydrophobicContact CE1-CD2 3.75Å; Y412-C461 PolarHBondContact O-SG 2.84Å
413V95Very high93.1Very high4 Ų422.3 Ų22.32%0.02412%0.117CC..SBendtrans-126.6125.6178.2178.10000109.1C80 H81 S82 D409 N415 G416 G462C80-V413 HydrophobicContact CB-CG2 4.43Å; H81-V413 HydrophobicContact CB-CG1 4.28Å; H81-V413 HydrophobicContact CB-CG2 3.97Å; H81-V413 WeakPolarHBondContact O-CG2 3.34Å; S82-V413 WeakPolarHBondContact O-CG1 3.32Å; D409-V413 HydrophobicContact CB-CB 4.43Å; D409-V413 HydrophobicContact CB-CG2 4.06Å; D409-V413 VanDerWaalsContact O-CB 3.29Å; D409-V413 WeakPolarHBondContact O-CB 3.5Å; D409-V413 PolarHBondContact O-N 2.86Å; D409-V413 WeakPolarHBondContact OD1-CG2 3.41Å; V413-N415 PolarHBondContact O-N 3.3Å; V413-G416 WeakPolarHBondContact O-CA 3.39Å; V413-G416 PolarHBondContact O-N 2.76Å; V413-G462 WeakPolarHBondContact O-CA 3.25Å
414R93.7Very high93Very high113 Ų11322.5 Ų22.543%0.42612%0.118SC..THydrogen-bonded Turntrans-57139.6173.5-71.1-170.8-165.7-86.43.1110K83 E84 G416 C461K83-R414 WeakPolarHBondContact O-CG 3.32Å; K83-R414 PolarHBondContact O-N 3.13Å; E84-R414 IonicContact OE1-NE 2.75Å; E84-R414 WeakPolarHBondContact OE2-CD 3.39Å; E84-R414 IonicContact OE2-CZ 2.66Å; E84-R414 IonicContact OE2-NE 3.31Å; E84-R414 PolarHBondContact OE2-NE 2.64Å; E84-R414 IonicContact OE2-NH2 3.05Å; R414-G416 PolarHBondContact O-N 3.41Å; R414-C461 HydrophobicContact CG-CB 4.12Å
415N91.7Very high93Very high65 Ų6522.7 Ų22.735%0.34812%0.119SC..THydrogen-bonded Turntrans66.58-170.8-57-64.2000115.3L88 V413 T469 Y471 K481L88-N415 HydrophobicContact CD2-CB 3.91Å; V413-N415 PolarHBondContact O-N 3.3Å; N415-T469 WeakPolarHBondContact O-CB 3.47Å; N415-T469 WeakPolarHBondContact O-CG2 3.35Å; N415-Y471 WeakPolarHBondContact O-CE2 3.49Å; N415-K481 PolarHBondContact OD1-NZ 3.31Å; N415-K481 VanDerWaalsContact OD1-NZ 3.09Å
416G90.8Very high92.8Very high8 Ų823.8 Ų23.88%0.08212%0.124CC..  trans72.3-161.8167.900000115.1V413 R414 T469V413-G416 WeakPolarHBondContact O-CA 3.39Å; V413-G416 PolarHBondContact O-N 2.76Å; R414-G416 PolarHBondContact O-N 3.41Å; G416-T469 WeakPolarHBondContact CA-O 3.19Å
417A87.8Confident92.8Very high18 Ų1829.3 Ų29.315%0.14914%0.141CC..BIsolated β-bridgetrans-99.3137.3-173.600000112.6D409 C410 Y471D409-A417 HydrophobicContact CB-CB 3.71Å; C410-A417 WeakPolarHBondContact SG-CB 3.42Å; A417-Y471 WeakPolarHBondContact O-CD2 3.2Å
418V91.4Very high92.6Very high21 Ų2129 Ų2913%0.12714%0.139CC..PPolyproline II helixtrans-95.4121.2171.4-173.70000108.8L88 L91 L92 N95 Y471 L479L88-V418 HydrophobicContact CD1-CG2 3.5Å; L91-V418 HydrophobicContact CB-CB 3.89Å; L91-V418 HydrophobicContact CB-CG1 4.05Å; L91-V418 HydrophobicContact CB-CG2 3.87Å; L91-V418 HydrophobicContact CD1-CB 4.16Å; L91-V418 HydrophobicContact CD1-CG2 4.05Å; L92-V418 HydrophobicContact CD2-CG1 4.05Å; L92-V418 HydrophobicContact CD2-CG2 4.25Å; N95-V418 WeakPolarHBondContact ND2-CG1 3.29Å; V418-Y471 HydrophobicContact CB-CD2 4.49Å; V418-Y471 HydrophobicContact CG2-CD2 3.8Å; V418-Y471 HydrophobicContact CG2-CE2 3.99Å; V418-Y471 HydrophobicContact CG2-CG 4.42Å; V418-L479 HydrophobicContact CG1-CD1 3.58Å
419P89.1Confident92.1Very high23 Ų2334.5 Ų34.515%0.14918%0.176CC..PPolyproline II helixtrans-63.9143.5177.928.2-34.2000110.1N95 D433 Y471 L479N95-P419 PolarHBondContact ND2-O 3.4Å; N95-P419 PolarHBondContact OD1-O 3.08Å; P419-D433 HydrophobicContact CB-CB 3.94Å; P419-D433 HydrophobicContact CG-CB 4.41Å; P419-Y471 WeakPolarHBondContact CD-O 2.92Å; P419-Y471 VanDerWaalsContact CG-O 3.26Å; P419-Y471 WeakPolarHBondContact CG-O 3.48Å; P419-L479 HydrophobicContact CG-CD2 4.21Å
420R90.1Very high91.8Very high90 Ų9037 Ų3734%0.3419%0.189SC..PPolyproline II helixtrans-83123.6176.6-178.2177.5-177.9-99.4-29.2110.4T125 P126 V422T125-R420 VanDerWaalsContact CB-NH2 3.35Å; T125-R420 PolarHBondContact O-NH1 3.4Å; T125-R420 PolarHBondContact O-NH2 2.86Å; P126-R420 PolarHBondContact O-NH1 2.72Å; R420-V422 PolarHBondContact O-N 2.9Å
421Q91.9Very high91.7Very high2 Ų237.5 Ų37.51%0.00919%0.193CC..PPolyproline II helixtrans-56.4122.2169.5-176.364.362.900110.7N95 N98 I124 E424 K473N95-Q421 WeakPolarHBondContact OD1-CB 3.4Å; N95-Q421 PolarHBondContact OD1-N 3.34Å; N98-Q421 HydrophobicContact CB-CB 3.79Å; N98-Q421 HydrophobicContact CB-CG 3.66Å; I124-Q421 HydrophobicContact CD1-CG 4.45Å; I124-Q421 WeakPolarHBondContact CG2-O 3.35Å; Q421-E424 PolarHBondContact NE2-OE1 3.15Å; Q421-K473 VanDerWaalsContact CD-NZ 3.29Å
422V93.8Very high91.6Very high6 Ų637.9 Ų37.94%0.03620%0.195CC..  trans-115.4178.9170.6-61.60000109.7R127 R420 E424 I432 N614R127-V422 HydrophobicContact CB-CG1 4.15Å; R420-V422 PolarHBondContact O-N 2.9Å; V422-E424 HydrophobicContact CG2-CB 4.33Å; V422-E424 PolarHBondContact O-N 3Å; V422-I432 HydrophobicContact CG2-CD1 3.61Å; V422-N614 HydrophobicContact CG2-CB 4.37Å
423V94.7Very high91.4Very high5 Ų539.6 Ų39.63%0.0320%0.203CC..SBendtrans-75108.4172.7-175.30000108.7L102 I122 I124 I607 V610 N614L102-V423 HydrophobicContact CD1-CG1 4.03Å; I122-V423 HydrophobicContact CG2-CG2 3.82Å; I124-V423 HydrophobicContact CB-CG2 4.41Å; V423-I607 HydrophobicContact CG1-CD1 3.75Å; V423-V610 HydrophobicContact CB-CG1 4.11Å; V423-V610 HydrophobicContact CG1-CG1 3.75Å; V423-N614 PolarHBondContact O-ND2 2.93Å
424E94.9Very high91.2Very high7 Ų742.2 Ų42.23%0.03322%0.216CC..  trans-147.5165-175.975.4-168.412800111.7Q421 V422 I426 I432 K473 I607Q421-E424 PolarHBondContact NE2-OE1 3.15Å; V422-E424 HydrophobicContact CG2-CB 4.33Å; V422-E424 PolarHBondContact O-N 3Å; E424-I426 PolarHBondContact O-N 3.38Å; E424-I432 HydrophobicContact CB-CD1 3.6Å; E424-I432 HydrophobicContact CB-CG1 4.05Å; E424-I432 PolarHBondContact OE2-N 3.04Å; E424-K473 IonicContact OE1-NZ 3.64Å; E424-K473 PolarHBondContact OE1-NZ 3.31Å; E424-I607 VanDerWaalsContact C-CG1 3.43Å; E424-I607 WeakPolarHBondContact O-CD1 3.46Å; E424-I607 WeakPolarHBondContact O-CG1 3.26Å
425D94.2Very high91.3Very high17 Ų1737.6 Ų37.69%0.09120%0.198CC..  trans-67.498.1170.7-176.65.9000111.1K427 S428 H538 I607 H611D425-K427 PolarHBondContact O-N 3.12Å; D425-K427 WeakPolarHBondContact OD1-CB 3.21Å; D425-K427 PolarHBondContact OD1-N 2.77Å; D425-S428 WeakPolarHBondContact O-CB 3.49Å; D425-S428 PolarHBondContact O-N 3.12Å; D425-S428 PolarHBondContact OD1-N 2.84Å; D425-H538 IonicContact OD2-CE1 2.56Å; D425-H538 PolarHBondContact OD2-CE1 2.85Å; D425-I607 HydrophobicContact CB-CG1 4.17Å; D425-I607 HydrophobicContact CB-CG2 4.03Å; D425-H611 HydrophobicContact CB-CB 4.31Å; D425-H611 PolarHBondContact N-ND1 2.83Å
426I91.5Very high91.4Very high25 Ų2535.2 Ų35.213%0.12819%0.186CC..THydrogen-bonded Turntrans-70.8-11.5178.960.7171.9000114.1F99 L102 L106 E424F99-I426 HydrophobicContact CD2-CB 4.36Å; F99-I426 HydrophobicContact CD2-CG2 3.9Å; F99-I426 HydrophobicContact CE2-CB 3.67Å; F99-I426 HydrophobicContact CE2-CD1 4.26Å; F99-I426 HydrophobicContact CE2-CG2 3.74Å; F99-I426 HydrophobicContact CZ-CB 4.29Å; F99-I426 HydrophobicContact CZ-CD1 4.18Å; L102-I426 HydrophobicContact CD2-CG2 3.66Å; L102-I426 HydrophobicContact CG-CG2 4.25Å; L106-I426 HydrophobicContact CD1-CD1 4.16Å; L106-I426 HydrophobicContact CD1-CG1 4.06Å; E424-I426 PolarHBondContact O-N 3.38Å
427K89.4Confident91.5Very high175 Ų17536.7 Ų36.776%0.76120%0.195SC*.THydrogen-bonded Turntrans-90.4-18176-62.6-179.6-179.21760111.9D425D425-K427 PolarHBondContact O-N 3.12Å; D425-K427 WeakPolarHBondContact OD1-CB 3.21Å; D425-K427 PolarHBondContact OD1-N 2.77Å
428S89Confident91.9Very high19 Ų1942.3 Ų42.313%0.13322%0.216CC..  trans-70.4132.7177.3-175.10000110.3D425 N430 H538D425-S428 WeakPolarHBondContact O-CB 3.49Å; D425-S428 PolarHBondContact O-N 3.12Å; D425-S428 PolarHBondContact OD1-N 2.84Å; S428-N430 PolarHBondContact O-N 3.29Å; S428-N430 PolarHBondContact OG-N 3.03Å; S428-N430 PolarHBondContact OG-O 3.28Å; S428-H538 PolarHBondContact OG-NE2 2.78Å
429P84.5Confident92.1Very high117 Ų11741.8 Ų41.876%0.7621%0.212SC*.SBendtrans-67.6-20.8168.729.9-34.3000111.7S431P429-S431 PolarHBondContact O-N 2.86Å
430N88.2Confident92.4Very high57 Ų5742 Ų4231%0.30521%0.21SC..SBendtrans-92.479.6178.1-57.1-60000108.8S428 F537 H611S428-N430 PolarHBondContact O-N 3.29Å; S428-N430 PolarHBondContact OG-N 3.03Å; S428-N430 PolarHBondContact OG-O 3.28Å; N430-F537 HydrophobicContact CB-CB 4.43Å; N430-H611 PolarHBondContact O-CE1 3.3Å
431S92.1Very high92.7Very high16 Ų1640.3 Ų40.311%0.11221%0.211CC..  trans-63.9161.5172.969.70000111.4P429 D433 E434 F435P429-S431 PolarHBondContact O-N 2.86Å; S431-D433 PolarHBondContact O-N 3.39Å; S431-E434 PolarHBondContact O-N 3.03Å; S431-E434 PolarHBondContact OG-N 2.65Å; S431-E434 VanDerWaalsContact OG-N 3.14Å; S431-F435 PolarHBondContact O-N 3.25Å
432I93.8Very high93Very high8 Ų840.8 Ų40.84%0.04121%0.214CC..Hα-helixtrans-61.4-29.6175.3-65.6177.8000111V422 E424 F435 M436 N614 E615V422-I432 HydrophobicContact CG2-CD1 3.61Å; E424-I432 HydrophobicContact CB-CD1 3.6Å; E424-I432 HydrophobicContact CB-CG1 4.05Å; E424-I432 PolarHBondContact OE2-N 3.04Å; I432-F435 WeakPolarHBondContact O-CB 3.42Å; I432-M436 WeakPolarHBondContact O-CG 3.13Å; I432-M436 PolarHBondContact O-N 3.18Å; I432-N614 HydrophobicContact CD1-CB 3.39Å; I432-E615 HydrophobicContact CG1-CG 4.08Å
433D91.2Very high93.2Very high35 Ų3540.6 Ų40.619%0.18721%0.213CC..Hα-helixtrans-65.8-47.3171.9-171.771.7000111.5P419 S431 F435 M436 S437 R440P419-D433 HydrophobicContact CB-CB 3.94Å; P419-D433 HydrophobicContact CG-CB 4.41Å; S431-D433 PolarHBondContact O-N 3.39Å; D433-F435 VanDerWaalsContact C-N 3.29Å; D433-F435 PolarHBondContact O-N 3.12Å; D433-M436 PolarHBondContact O-N 3.37Å; D433-S437 PolarHBondContact O-N 3.21Å; D433-R440 PolarHBondContact O-NH1 3.46Å; D433-R440 PolarHBondContact O-NH2 3.12Å; D433-R440 IonicContact OD1-CZ 3.53Å; D433-R440 IonicContact OD1-NH1 2.95Å; D433-R440 PolarHBondContact OD1-NH1 2.94Å; D433-R440 IonicContact OD1-NH2 3.85Å; D433-R440 IonicContact OD2-CZ 3.59Å; D433-R440 IonicContact OD2-NH1 3.41Å; D433-R440 PolarHBondContact OD2-NH1 2.77Å; D433-R440 IonicContact OD2-NH2 2.99Å; D433-R440 PolarHBondContact OD2-NH2 3.48Å
434E91.8Very high93.3Very high60 Ų6040.5 Ų40.528%0.2821%0.212SC..Hα-helixtrans-61.8-39.1177.7-170.660.8-151.300111.9S431 M436 S437 R472S431-E434 PolarHBondContact O-N 3.03Å; S431-E434 PolarHBondContact OG-N 2.65Å; S431-E434 VanDerWaalsContact OG-N 3.14Å; E434-M436 PolarHBondContact O-N 3.27Å; E434-S437 WeakPolarHBondContact O-CB 3.37Å; E434-S437 PolarHBondContact O-N 3.16Å; E434-S437 PolarHBondContact O-OG 2.73Å; E434-R472 IonicContact OE2-CZ 3.13Å; E434-R472 IonicContact OE2-NE 3.95Å
435F94.7Very high93.5Very high15 Ų1540.1 Ų40.17%0.06621%0.21CC..Hα-helixtrans-53.7-35.4172.2161.8-93.6000112.6S431 I432 D433 W532 E615 M619S431-F435 PolarHBondContact O-N 3.25Å; I432-F435 WeakPolarHBondContact O-CB 3.42Å; D433-F435 VanDerWaalsContact C-N 3.29Å; D433-F435 PolarHBondContact O-N 3.12Å; F435-W532 AromaticContact CE2-CD1 3.82Å; F435-W532 HydrophobicContact CZ-CB 4.39Å; F435-W532 AromaticContact CZ-CD1 3.71Å; F435-W532 HydrophobicContact CZ-CG 4.46Å; F435-E615 HydrophobicContact CB-CG 4.46Å; F435-E615 HydrophobicContact CD1-CB 3.94Å; F435-E615 HydrophobicContact CD1-CG 3.93Å; F435-E615 HydrophobicContact CD2-CB 4.36Å; F435-E615 HydrophobicContact CD2-CG 4.04Å; F435-E615 HydrophobicContact CE1-CB 3.69Å; F435-E615 HydrophobicContact CE1-CG 4.19Å; F435-E615 WeakPolarHBondContact CE1-O 3.33Å; F435-E615 HydrophobicContact CE2-CB 4.1Å; F435-E615 HydrophobicContact CE2-CG 4.27Å; F435-E615 HydrophobicContact CG-CB 4.3Å; F435-E615 HydrophobicContact CG-CG 3.88Å; F435-E615 HydrophobicContact CZ-CB 3.8Å; F435-E615 HydrophobicContact CZ-CG 4.37Å; F435-M619 HydrophobicContact CE1-CB 4.23Å; F435-M619 HydrophobicContact CE1-CE 3.97Å; F435-M619 HydrophobicContact CZ-CB 4.29Å; F435-M619 HydrophobicContact CZ-CE 3.69Å
436M95Very high93.6Very high16 Ų1639.3 Ų39.38%0.07921%0.206CC..THydrogen-bonded Turntrans-84.5-5.2-179.4-71.9-55.1-61.500114.5I432 D433 E434 K438 M439 R440 M619 A622I432-M436 WeakPolarHBondContact O-CG 3.13Å; I432-M436 PolarHBondContact O-N 3.18Å; D433-M436 PolarHBondContact O-N 3.37Å; E434-M436 PolarHBondContact O-N 3.27Å; M436-K438 PolarHBondContact O-N 3.34Å; M436-M439 HydrophobicContact CE-CB 3.78Å; M436-M439 HydrophobicContact CE-CG 3.7Å; M436-M439 PolarHBondContact O-N 2.93Å; M436-M439 VanDerWaalsContact O-N 3.12Å; M436-R440 HydrophobicContact CB-CG 4.41Å; M436-R440 PolarHBondContact O-N 3.01Å; M436-M619 HydrophobicContact SD-CB 4.49Å; M436-M619 HydrophobicContact SD-CE 4.23Å; M436-A622 HydrophobicContact CE-CB 3.38Å
437S93.4Very high93.9Very high39 Ų3938.3 Ų38.327%0.27320%0.201SC..Hα-helixtrans-52.2-48.3-172580000114.1D433 E434 M439 R440 S441D433-S437 PolarHBondContact O-N 3.21Å; E434-S437 WeakPolarHBondContact O-CB 3.37Å; E434-S437 PolarHBondContact O-N 3.16Å; E434-S437 PolarHBondContact O-OG 2.73Å; S437-M439 PolarHBondContact O-N 3.14Å; S437-R440 PolarHBondContact O-N 2.93Å; S437-S441 WeakPolarHBondContact O-CB 3.48Å; S437-S441 PolarHBondContact O-N 3.28Å
438K95Very high94.3Very high135 Ų13531.2 Ų31.259%0.58717%0.169SC*.Hα-helixtrans-62.8-44.7178.9-175.7176.8179.6-179.40112.2M436 S441 I442M436-K438 PolarHBondContact O-N 3.34Å; K438-S441 PolarHBondContact O-N 2.85Å; K438-I442 WeakPolarHBondContact O-CG1 3.41Å; K438-I442 PolarHBondContact O-N 3.3Å
439M96.8Very high94.7Very high10 Ų1030.3 Ų30.35%0.04916%0.163CC..Hα-helixtrans-66-43.6178.5179.560.68000110.9M436 S437 S441 I442 L443 L509 L531 M619 A622 L623 L626M436-M439 HydrophobicContact CE-CB 3.78Å; M436-M439 HydrophobicContact CE-CG 3.7Å; M436-M439 PolarHBondContact O-N 2.93Å; M436-M439 VanDerWaalsContact O-N 3.12Å; S437-M439 PolarHBondContact O-N 3.14Å; M439-S441 VanDerWaalsContact C-N 3.33Å; M439-S441 PolarHBondContact O-N 3.45Å; M439-I442 PolarHBondContact O-N 3.46Å; M439-L443 HydrophobicContact CG-CD1 3.99Å; M439-L443 WeakPolarHBondContact O-CG 3.46Å; M439-L443 PolarHBondContact O-N 3.02Å; M439-L443 HydrophobicContact SD-CD1 4.33Å; M439-L443 HydrophobicContact SD-CG 4.41Å; M439-L509 HydrophobicContact CE-CD2 4.42Å; M439-L531 HydrophobicContact CE-CD1 4.29Å; M439-M619 HydrophobicContact CE-SD 3.61Å; M439-A622 HydrophobicContact CG-CB 3.73Å; M439-L623 HydrophobicContact CE-CD2 3.81Å; M439-L623 HydrophobicContact CE-CG 4.21Å; M439-L626 HydrophobicContact CE-CD2 4.24Å; M439-L626 HydrophobicContact SD-CD2 4.01Å
440R95.3Very high95.3Very high29 Ų2924.7 Ų24.711%0.10913%0.127CC..Hα-helixtrans-58.2-44173.8-76.5-159.1-53.7-87.10.7112.2D433 M436 S437 I442 L443 N444 E470D433-R440 PolarHBondContact O-NH1 3.46Å; D433-R440 PolarHBondContact O-NH2 3.12Å; D433-R440 IonicContact OD1-CZ 3.53Å; D433-R440 IonicContact OD1-NH1 2.95Å; D433-R440 PolarHBondContact OD1-NH1 2.94Å; D433-R440 IonicContact OD1-NH2 3.85Å; D433-R440 IonicContact OD2-CZ 3.59Å; D433-R440 IonicContact OD2-NH1 3.41Å; D433-R440 PolarHBondContact OD2-NH1 2.77Å; D433-R440 IonicContact OD2-NH2 2.99Å; D433-R440 PolarHBondContact OD2-NH2 3.48Å; M436-R440 HydrophobicContact CB-CG 4.41Å; M436-R440 PolarHBondContact O-N 3.01Å; S437-R440 PolarHBondContact O-N 2.93Å; R440-I442 VanDerWaalsContact C-N 3.29Å; R440-I442 PolarHBondContact O-N 3.46Å; R440-L443 PolarHBondContact O-N 3.1Å; R440-N444 WeakPolarHBondContact O-CB 3.29Å; R440-N444 PolarHBondContact O-N 3.08Å; R440-E470 IonicContact CZ-OE1 3.24Å; R440-E470 IonicContact CZ-OE2 2.62Å; R440-E470 IonicContact NE-OE1 2.68Å; R440-E470 PolarHBondContact NE-OE1 3.1Å; R440-E470 IonicContact NE-OE2 3.36Å; R440-E470 IonicContact NH2-OE1 2.97Å; R440-E470 IonicContact NH2-OE2 2.85Å; R440-E470 PolarHBondContact NH2-OE2 2.98Å
441S95.9Very high95.7Very high53 Ų5322 Ų2237%0.37111%0.112SC..Hα-helixtrans-59.4-39.8178.2176.90000112.1S437 K438 M439 G445S437-S441 WeakPolarHBondContact O-CB 3.48Å; S437-S441 PolarHBondContact O-N 3.28Å; K438-S441 PolarHBondContact O-N 2.85Å; M439-S441 VanDerWaalsContact C-N 3.33Å; M439-S441 PolarHBondContact O-N 3.45Å; S441-G445 WeakPolarHBondContact O-CA 3.48Å; S441-G445 PolarHBondContact O-N 3.14Å
442I97.9Very high95.9Very high12 Ų1224.8 Ų24.86%0.06213%0.126CC..Hα-helixtrans-64.3-49.2174.8-67.3170000110.9K438 M439 R440 G445 L446 F504 F508 L509 L626K438-I442 WeakPolarHBondContact O-CG1 3.41Å; K438-I442 PolarHBondContact O-N 3.3Å; M439-I442 PolarHBondContact O-N 3.46Å; R440-I442 VanDerWaalsContact C-N 3.29Å; R440-I442 PolarHBondContact O-N 3.46Å; I442-G445 PolarHBondContact O-N 3.02Å; I442-L446 HydrophobicContact CG2-CD1 4.34Å; I442-L446 WeakPolarHBondContact O-CG 3.36Å; I442-L446 PolarHBondContact O-N 2.81Å; I442-F504 HydrophobicContact CG2-CE1 4.49Å; I442-F504 HydrophobicContact CG2-CZ 3.73Å; I442-F508 HydrophobicContact CD1-CB 4.45Å; I442-L509 HydrophobicContact CD1-CD2 3.64Å; I442-L626 HydrophobicContact CG2-CD1 4.23Å
443L97.9Very high96Very high3 Ų328 Ų282%0.01614%0.141CC..Hα-helixtrans-62.1-49.4-178.3-68.7168.9000111.9V407 M439 R440 G445 L446 I447 A622 H625 L626 L629V407-L443 HydrophobicContact CG1-CB 4.11Å; V407-L443 HydrophobicContact CG1-CD1 3.92Å; M439-L443 HydrophobicContact CG-CD1 3.99Å; M439-L443 WeakPolarHBondContact O-CG 3.46Å; M439-L443 PolarHBondContact O-N 3.02Å; M439-L443 HydrophobicContact SD-CD1 4.33Å; M439-L443 HydrophobicContact SD-CG 4.41Å; R440-L443 PolarHBondContact O-N 3.1Å; L443-G445 VanDerWaalsContact C-N 3.31Å; L443-G445 PolarHBondContact O-N 3.19Å; L443-L446 PolarHBondContact O-N 3.31Å; L443-I447 WeakPolarHBondContact O-CG1 3.06Å; L443-I447 PolarHBondContact O-N 3.22Å; L443-I447 VanDerWaalsContact O-N 3.15Å; L443-A622 HydrophobicContact CD1-CB 4.31Å; L443-H625 WeakPolarHBondContact CD2-CD2 3.48Å; L443-L626 HydrophobicContact CD2-CB 3.85Å; L443-L626 HydrophobicContact CD2-CD1 3.74Å; L443-L626 HydrophobicContact CD2-CG 4.39Å; L443-L629 HydrophobicContact CD2-CD2 4.46Å
444N96.9Very high96.1Very high2 Ų227.8 Ų27.81%0.01114%0.139CC..Hα-helixtrans-63.9-38.7176.7-70.1-15.3000111.2V407 M411 R440 L446 I447 Y448 L486V407-N444 PolarHBondContact O-OD1 3.25Å; M411-N444 HydrophobicContact CG-CB 4.42Å; M411-N444 HydrophobicContact SD-CB 3.72Å; R440-N444 WeakPolarHBondContact O-CB 3.29Å; R440-N444 PolarHBondContact O-N 3.08Å; N444-L446 VanDerWaalsContact C-N 3.34Å; N444-L446 PolarHBondContact O-N 3.27Å; N444-I447 PolarHBondContact O-N 3.11Å; N444-Y448 WeakPolarHBondContact O-CB 3.35Å; N444-Y448 PolarHBondContact O-N 3.39Å; N444-L486 HydrophobicContact CB-CD1 3.77Å; N444-L486 HydrophobicContact CB-CD2 3.76Å; N444-L486 HydrophobicContact CB-CG 4.43Å
445G97.9Very high96.2Very high0 Ų027.4 Ų27.40%015%0.151CC..Hα-helixtrans-62.3-40.2176.200000112.3S441 I442 L443 Y448 G449 K487 L489S441-G445 WeakPolarHBondContact O-CA 3.48Å; S441-G445 PolarHBondContact O-N 3.14Å; I442-G445 PolarHBondContact O-N 3.02Å; L443-G445 VanDerWaalsContact C-N 3.31Å; L443-G445 PolarHBondContact O-N 3.19Å; G445-Y448 PolarHBondContact O-N 2.89Å; G445-G449 PolarHBondContact O-N 3Å; G445-K487 VanDerWaalsContact CA-O 3.31Å; G445-K487 WeakPolarHBondContact CA-O 3.31Å; G445-L489 PolarHBondContact O-N 3.48Å
446L98.3Very high96.2Very high0 Ų026.8 Ų26.80%015%0.149CC..Hα-helixtrans-63.7-43.3175.3-76.7171.6000112.2I442 L443 N444 G449 L450 L489 P491 F504 L626 L629 I630 L633I442-L446 HydrophobicContact CG2-CD1 4.34Å; I442-L446 WeakPolarHBondContact O-CG 3.36Å; I442-L446 PolarHBondContact O-N 2.81Å; L443-L446 PolarHBondContact O-N 3.31Å; N444-L446 VanDerWaalsContact C-N 3.34Å; N444-L446 PolarHBondContact O-N 3.27Å; L446-G449 PolarHBondContact O-N 3.41Å; L446-L450 WeakPolarHBondContact O-CB 3.41Å; L446-L450 PolarHBondContact O-N 3.33Å; L446-L489 HydrophobicContact CD2-CB 4.33Å; L446-P491 HydrophobicContact CD2-CG 4.48Å; L446-F504 HydrophobicContact CD1-CE2 4.1Å; L446-F504 HydrophobicContact CD1-CZ 3.9Å; L446-F504 HydrophobicContact CD2-CE2 3.95Å; L446-F504 HydrophobicContact CG-CE2 4.39Å; L446-L626 HydrophobicContact CD1-CD1 3.74Å; L446-L629 HydrophobicContact CB-CD2 3.91Å; L446-L629 HydrophobicContact CD1-CD2 3.88Å; L446-I630 HydrophobicContact CD1-CG2 3.77Å; L446-L633 HydrophobicContact CB-CD1 4.16Å; L446-L633 HydrophobicContact CD2-CD1 4.07Å
447I97.6Very high96.2Very high3 Ų328.6 Ų28.62%0.01516%0.159CC..Hα-helixtrans-64.1-44.6175.6-64.4-64.8000110.7L408 M411 Y412 L443 N444 G449 L450 E451 L460 L629L408-I447 HydrophobicContact CD2-CD1 3.62Å; L408-I447 HydrophobicContact CD2-CG1 3.55Å; M411-I447 HydrophobicContact CB-CG2 4.26Å; M411-I447 HydrophobicContact CE-CG2 4.36Å; M411-I447 HydrophobicContact CG-CB 4.44Å; M411-I447 HydrophobicContact CG-CG2 4.07Å; Y412-I447 HydrophobicContact CE2-CG2 3.81Å; Y412-I447 WeakPolarHBondContact OH-CG2 3.39Å; L443-I447 WeakPolarHBondContact O-CG1 3.06Å; L443-I447 PolarHBondContact O-N 3.22Å; L443-I447 VanDerWaalsContact O-N 3.15Å; N444-I447 PolarHBondContact O-N 3.11Å; I447-G449 VanDerWaalsContact C-N 3.33Å; I447-G449 PolarHBondContact O-N 3.12Å; I447-L450 WeakPolarHBondContact O-CB 3.44Å; I447-L450 PolarHBondContact O-N 3.5Å; I447-E451 WeakPolarHBondContact O-CG 3.39Å; I447-E451 PolarHBondContact O-N 3.48Å; I447-L460 HydrophobicContact CG2-CD2 4.45Å; I447-L629 HydrophobicContact CD1-CD1 4.24Å; I447-L629 HydrophobicContact CD1-CD2 4.29Å
448Y97.9Very high96.2Very high26 Ų2632.6 Ų32.610%0.10217%0.173CC..Hα-helixtrans-60.4-43.6175.6-175.9-160.9000111.7N444 G445 L450 E451 N452 L460 M463 L486 P488N444-Y448 WeakPolarHBondContact O-CB 3.35Å; N444-Y448 PolarHBondContact O-N 3.39Å; G445-Y448 PolarHBondContact O-N 2.89Å; Y448-L450 VanDerWaalsContact C-N 3.32Å; Y448-L450 PolarHBondContact O-N 3.07Å; Y448-E451 PolarHBondContact O-N 3.04Å; Y448-N452 WeakPolarHBondContact O-CB 3.46Å; Y448-N452 PolarHBondContact O-N 2.89Å; Y448-L460 HydrophobicContact CD2-CD1 3.75Å; Y448-L460 HydrophobicContact CE2-CD1 4.35Å; Y448-M463 HydrophobicContact CD1-CE 3.8Å; Y448-M463 HydrophobicContact CD1-SD 4.46Å; Y448-M463 HydrophobicContact CD2-CE 4.18Å; Y448-M463 HydrophobicContact CD2-SD 4.08Å; Y448-M463 HydrophobicContact CE1-CE 3.73Å; Y448-M463 HydrophobicContact CE2-CE 4.14Å; Y448-M463 HydrophobicContact CE2-SD 4.45Å; Y448-M463 HydrophobicContact CG-CE 4.05Å; Y448-M463 HydrophobicContact CG-SD 4.12Å; Y448-L486 HydrophobicContact CD1-CD2 4.21Å; Y448-L486 HydrophobicContact CD1-CG 4.34Å; Y448-P488 HydrophobicContact CD1-CB 3.82Å; Y448-P488 HydrophobicContact CD1-CG 4.3Å; Y448-P488 VanDerWaalsContact CD1-N 3.35Å; Y448-P488 HydrophobicContact CD2-CB 4.49Å; Y448-P488 HydrophobicContact CE1-CB 4.08Å; Y448-P488 VanDerWaalsContact CE1-CD 3.49Å; Y448-P488 HydrophobicContact CE1-CG 4.1Å; Y448-P488 HydrophobicContact CG-CB 4.03Å
449G97.5Very high96.1Very high0 Ų026.5 Ų26.50%015%0.147CC..Hα-helixtrans-65.6-33.3176.700000113.8G445 L446 I447 H453 L489 Y637G445-G449 PolarHBondContact O-N 3Å; L446-G449 PolarHBondContact O-N 3.41Å; I447-G449 VanDerWaalsContact C-N 3.33Å; I447-G449 PolarHBondContact O-N 3.12Å; G449-H453 WeakPolarHBondContact O-CB 3.25Å; G449-H453 PolarHBondContact O-N 2.84Å; G449-H453 VanDerWaalsContact O-N 3.08Å; G449-L489 WeakPolarHBondContact CA-O 3.23Å; G449-Y637 PolarHBondContact O-OH 3.01Å
450L96.5Very high96Very high0 Ų026.5 Ų26.50%015%0.147CC..Hα-helixtrans-64-56.8172.6175.164.1000111L394 L446 I447 Y448 N452 H453 L454 L633 F636 Y637L394-L450 HydrophobicContact CD2-CD2 3.47Å; L394-L450 VanDerWaalsContact CD2-CD2 3.47Å; L446-L450 WeakPolarHBondContact O-CB 3.41Å; L446-L450 PolarHBondContact O-N 3.33Å; I447-L450 WeakPolarHBondContact O-CB 3.44Å; I447-L450 PolarHBondContact O-N 3.5Å; Y448-L450 VanDerWaalsContact C-N 3.32Å; Y448-L450 PolarHBondContact O-N 3.07Å; L450-N452 VanDerWaalsContact C-N 3.26Å; L450-N452 PolarHBondContact O-N 2.72Å; L450-H453 WeakPolarHBondContact O-CA 3.4Å; L450-H453 WeakPolarHBondContact O-CB 3.33Å; L450-H453 PolarHBondContact O-N 3.31Å; L450-L454 HydrophobicContact CD1-CD1 3.77Å; L450-L454 HydrophobicContact CD1-CG 4.11Å; L450-L454 HydrophobicContact CG-CD1 3.92Å; L450-L454 WeakPolarHBondContact O-CG 3.43Å; L450-L454 PolarHBondContact O-N 3.02Å; L450-L633 HydrophobicContact CD1-CD2 3.91Å; L450-L633 HydrophobicContact CD2-CD2 4.21Å; L450-L633 HydrophobicContact CG-CD2 4.44Å; L450-F636 HydrophobicContact CD1-CD1 4.24Å; L450-F636 HydrophobicContact CD1-CE1 3.67Å; L450-F636 HydrophobicContact CD1-CZ 4.39Å; L450-Y637 VanDerWaalsContact CA-OH 3.27Å; L450-Y637 WeakPolarHBondContact CA-OH 3.39Å; L450-Y637 PolarHBondContact N-OH 2.96Å
451E96.5Very high96Very high0 Ų026.2 Ų26.20%015%0.149CC..Hα-helixtrans-62.1-36.4-178.4-63.2-63.3179.400112W390 Y412 I447 Y448 H453 L454 G455 T456 K459 L460W390-E451 PolarHBondContact NE1-OE1 3.26Å; Y412-E451 PolarHBondContact OH-OE1 3.49Å; I447-E451 WeakPolarHBondContact O-CG 3.39Å; I447-E451 PolarHBondContact O-N 3.48Å; Y448-E451 PolarHBondContact O-N 3.04Å; E451-H453 VanDerWaalsContact C-N 3.29Å; E451-H453 PolarHBondContact O-N 3.44Å; E451-L454 PolarHBondContact O-N 3.06Å; E451-G455 PolarHBondContact O-N 2.94Å; E451-T456 PolarHBondContact O-N 3.47Å; E451-T456 WeakPolarHBondContact OE2-CB 3.48Å; E451-T456 PolarHBondContact OE2-OG1 3.17Å; E451-K459 VanDerWaalsContact CD-NZ 3.3Å; E451-K459 WeakPolarHBondContact OE1-CE 3.29Å; E451-K459 IonicContact OE1-NZ 3.96Å; E451-K459 PolarHBondContact OE1-NZ 3.21Å; E451-K459 WeakPolarHBondContact OE2-CE 3.32Å; E451-K459 IonicContact OE2-NZ 2.98Å; E451-K459 PolarHBondContact OE2-NZ 2.93Å; E451-L460 HydrophobicContact CB-CD1 3.9Å; E451-L460 HydrophobicContact CB-CD2 4.46Å; E451-L460 HydrophobicContact CB-CG 4.21Å; E451-L460 HydrophobicContact CG-CD1 4.19Å; E451-L460 HydrophobicContact CG-CD2 3.83Å; E451-L460 HydrophobicContact CG-CG 4.08Å
452N96.1Very high95.9Very high74 Ų7424 Ų2440%0.39613%0.134SC..Hα-helixtrans-66.9-32.3175.2-171.658.4000112.4Y448 L450 N457Y448-N452 WeakPolarHBondContact O-CB 3.46Å; Y448-N452 PolarHBondContact O-N 2.89Å; L450-N452 VanDerWaalsContact C-N 3.26Å; L450-N452 PolarHBondContact O-N 2.72Å; N452-N457 VanDerWaalsContact CA-OD1 3.27Å; N452-N457 WeakPolarHBondContact CA-OD1 3.31Å; N452-N457 PolarHBondContact N-OD1 2.92Å; N452-N457 VanDerWaalsContact N-OD1 3.09Å; N452-N457 PolarHBondContact OD1-ND2 3.1Å
453H94.9Very high95.8Very high77 Ų7725 Ų2536%0.35614%0.139SC..Hα-helixtrans-74-37.1174.8-178.566000112.5G449 L450 E451 G455 F636 Y637G449-H453 WeakPolarHBondContact O-CB 3.25Å; G449-H453 PolarHBondContact O-N 2.84Å; G449-H453 VanDerWaalsContact O-N 3.08Å; L450-H453 WeakPolarHBondContact O-CA 3.4Å; L450-H453 WeakPolarHBondContact O-CB 3.33Å; L450-H453 PolarHBondContact O-N 3.31Å; E451-H453 VanDerWaalsContact C-N 3.29Å; E451-H453 PolarHBondContact O-N 3.44Å; H453-G455 VanDerWaalsContact C-N 3.28Å; H453-F636 AromaticContact CD2-CE1 3.67Å; H453-F636 AromaticContact CD2-CZ 3.89Å; H453-Y637 HydrophobicContact CB-CE1 3.83Å; H453-Y637 AromaticContact CD2-CE1 3.67Å; H453-Y637 AromaticContact CG-CE1 3.54Å; H453-Y637 AromaticContact ND1-CE1 3.96Å
454L94.2Very high95.5Very high30 Ų3031.1 Ų31.116%0.15717%0.168CC..Hα-helixtrans-78.2-11.4177.9-67175.3000113.5H389 L450 E451 T456 F636H389-L454 HydrophobicContact CB-CB 4.38Å; H389-L454 HydrophobicContact CB-CD1 4.24Å; H389-L454 HydrophobicContact CB-CD2 4.32Å; H389-L454 WeakPolarHBondContact O-CD1 3.43Å; H389-L454 WeakPolarHBondContact O-CD2 3.49Å; L450-L454 HydrophobicContact CD1-CD1 3.77Å; L450-L454 HydrophobicContact CD1-CG 4.11Å; L450-L454 HydrophobicContact CG-CD1 3.92Å; L450-L454 WeakPolarHBondContact O-CG 3.43Å; L450-L454 PolarHBondContact O-N 3.02Å; E451-L454 PolarHBondContact O-N 3.06Å; L454-T456 VanDerWaalsContact C-N 3.35Å; L454-T456 HydrophobicContact CB-CG2 4.45Å; L454-T456 WeakPolarHBondContact CB-OG1 3.36Å; L454-F636 HydrophobicContact CD2-CZ 3.8Å
455G94.6Very high95.2Very high51 Ų5137.8 Ų37.853%0.52620%0.203SC..THydrogen-bonded Turntrans71.329.4-177.400000113.3E451 H453E451-G455 PolarHBondContact O-N 2.94Å; H453-G455 VanDerWaalsContact C-N 3.28Å
456T95.1Very high95Very high2 Ų243.1 Ų43.11%0.01223%0.228CC..  trans-121.931.6-171.846.30000112.8H389 E451 L454 E458 K459H389-T456 HydrophobicContact CB-CG2 4.22Å; H389-T456 WeakPolarHBondContact ND1-CG2 3.38Å; E451-T456 PolarHBondContact O-N 3.47Å; E451-T456 WeakPolarHBondContact OE2-CB 3.48Å; E451-T456 PolarHBondContact OE2-OG1 3.17Å; L454-T456 VanDerWaalsContact C-N 3.35Å; L454-T456 HydrophobicContact CB-CG2 4.45Å; L454-T456 WeakPolarHBondContact CB-OG1 3.36Å; T456-E458 VanDerWaalsContact CA-OE2 3.29Å; T456-E458 WeakPolarHBondContact CA-OE2 3.01Å; T456-E458 PolarHBondContact O-N 3.3Å; T456-E458 VanDerWaalsContact O-N 3.17Å; T456-K459 WeakPolarHBondContact O-CB 3.45Å; T456-K459 WeakPolarHBondContact O-CE 3.44Å; T456-K459 WeakPolarHBondContact O-CG 3.4Å; T456-K459 PolarHBondContact O-N 3.39Å
457N94.6Very high94.9Very high55 Ų5544.5 Ų44.529%0.29424%0.237SC..G310 helixtrans-60.2-22.9-180-73.3-32.3000113.1N452 K459 L460N452-N457 VanDerWaalsContact CA-OD1 3.27Å; N452-N457 WeakPolarHBondContact CA-OD1 3.31Å; N452-N457 PolarHBondContact N-OD1 2.92Å; N452-N457 VanDerWaalsContact N-OD1 3.09Å; N452-N457 PolarHBondContact OD1-ND2 3.1Å; N457-K459 PolarHBondContact O-N 3.01Å; N457-K459 VanDerWaalsContact O-N 3.14Å; N457-L460 VanDerWaalsContact O-CB 3.25Å; N457-L460 WeakPolarHBondContact O-CB 3.39Å; N457-L460 PolarHBondContact O-N 3.46Å
458E92.3Very high94.8Very high122 Ų12244.4 Ų44.457%0.5724%0.237SC*.G310 helixtrans-59.5-21.6176.364.2-83.5-168.400113.6T456 L460T456-E458 VanDerWaalsContact CA-OE2 3.29Å; T456-E458 WeakPolarHBondContact CA-OE2 3.01Å; T456-E458 PolarHBondContact O-N 3.3Å; T456-E458 VanDerWaalsContact O-N 3.17Å; E458-L460 VanDerWaalsContact C-N 3.29Å
459K93.1Very high94.6Very high7 Ų743.7 Ų43.73%0.0324%0.235CC..G310 helixtrans-72.8-22.1174.1-59.8-174-55.8-177.10113.1S385 I386 H388 Y412 E451 T456 N457 C461S385-K459 WeakPolarHBondContact O-CD 3.49Å; I386-K459 PolarHBondContact O-NZ 3.15Å; H388-K459 HydrophobicContact CB-CD 3.81Å; H388-K459 PolarHBondContact O-NZ 3.36Å; Y412-K459 HydrophobicContact CD1-CB 4.43Å; Y412-K459 HydrophobicContact CE1-CB 4.2Å; E451-K459 VanDerWaalsContact CD-NZ 3.3Å; E451-K459 WeakPolarHBondContact OE1-CE 3.29Å; E451-K459 IonicContact OE1-NZ 3.96Å; E451-K459 PolarHBondContact OE1-NZ 3.21Å; E451-K459 WeakPolarHBondContact OE2-CE 3.32Å; E451-K459 IonicContact OE2-NZ 2.98Å; E451-K459 PolarHBondContact OE2-NZ 2.93Å; T456-K459 WeakPolarHBondContact O-CB 3.45Å; T456-K459 WeakPolarHBondContact O-CE 3.44Å; T456-K459 WeakPolarHBondContact O-CG 3.4Å; T456-K459 PolarHBondContact O-N 3.39Å; N457-K459 PolarHBondContact O-N 3.01Å; N457-K459 VanDerWaalsContact O-N 3.14Å; K459-C461 PolarHBondContact O-N 3.45Å
460L95.3Very high94.4Very high11 Ų1144.2 Ų44.26%0.05824%0.238CC..  trans-76.556.8-175.5-61.3178.2000111.9M411 Y412 I447 Y448 E451 N457 E458 G462 M463M411-L460 HydrophobicContact CB-CD2 3.94Å; M411-L460 HydrophobicContact CE-CD1 4.32Å; M411-L460 HydrophobicContact CE-CD2 3.95Å; M411-L460 CarbonylContact O-C 3.55Å; M411-L460 VanDerWaalsContact O-CA 3.26Å; M411-L460 WeakPolarHBondContact O-CA 3.38Å; Y412-L460 HydrophobicContact CD1-CD2 4.28Å; Y412-L460 HydrophobicContact CE1-CD2 3.75Å; I447-L460 HydrophobicContact CG2-CD2 4.45Å; Y448-L460 HydrophobicContact CD2-CD1 3.75Å; Y448-L460 HydrophobicContact CE2-CD1 4.35Å; E451-L460 HydrophobicContact CB-CD1 3.9Å; E451-L460 HydrophobicContact CB-CD2 4.46Å; E451-L460 HydrophobicContact CB-CG 4.21Å; E451-L460 HydrophobicContact CG-CD1 4.19Å; E451-L460 HydrophobicContact CG-CD2 3.83Å; E451-L460 HydrophobicContact CG-CG 4.08Å; N457-L460 VanDerWaalsContact O-CB 3.25Å; N457-L460 WeakPolarHBondContact O-CB 3.39Å; N457-L460 PolarHBondContact O-N 3.46Å; E458-L460 VanDerWaalsContact C-N 3.29Å; L460-G462 PolarHBondContact O-N 3.08Å; L460-G462 VanDerWaalsContact O-N 3.13Å; L460-M463 HydrophobicContact CB-CB 4.27Å; L460-M463 HydrophobicContact CB-CG 4.2Å; L460-M463 HydrophobicContact CB-SD 4.12Å; L460-M463 HydrophobicContact CD1-SD 3.66Å; L460-M463 HydrophobicContact CG-SD 4.39Å; L460-M463 WeakPolarHBondContact O-CB 3.44Å; L460-M463 PolarHBondContact O-N 3.45Å
461C94.5Very high94.2Very high22 Ų2244.8 Ų44.815%0.14924%0.24CC..THydrogen-bonded Turntrans-67.2-10.5-176.361.80000114.8K83 M411 Y412 R414 K459 M463K83-C461 HydrophobicContact CG-CB 4.5Å; M411-C461 PolarHBondContact O-N 3.46Å; Y412-C461 PolarHBondContact O-SG 2.84Å; R414-C461 HydrophobicContact CG-CB 4.12Å; K459-C461 PolarHBondContact O-N 3.45Å; C461-M463 VanDerWaalsContact C-N 3.33Å
462G95.1Very high93.9Very high6 Ų648.8 Ų48.86%0.06226%0.255CS..THydrogen-bonded Turntrans-82.7-9.6169.400000114C410 M411 V413 L460C410-G462 CarbonylContact O-C 3.56Å; M411-G462 PolarHBondContact O-N 3.45Å; V413-G462 WeakPolarHBondContact O-CA 3.25Å; L460-G462 PolarHBondContact O-N 3.08Å; L460-G462 VanDerWaalsContact O-N 3.13Å
463M94.9Very high93.5Very high34 Ų3447.6 Ų47.617%0.16725%0.246CC..EExtended strand (participates in β ladder)trans-98.7141.9178.5-68.4-171.869.500112.9M411 Y448 L460 C461 C467 V468 L486M411-M463 HydrophobicContact CE-CG 4Å; M411-M463 HydrophobicContact CE-SD 3.27Å; M411-M463 WeakPolarHBondContact CE-SD 3.25Å; M411-M463 HydrophobicContact SD-CG 4.37Å; M411-M463 HydrophobicContact SD-SD 4.3Å; Y448-M463 HydrophobicContact CD1-CE 3.8Å; Y448-M463 HydrophobicContact CD1-SD 4.46Å; Y448-M463 HydrophobicContact CD2-CE 4.18Å; Y448-M463 HydrophobicContact CD2-SD 4.08Å; Y448-M463 HydrophobicContact CE1-CE 3.73Å; Y448-M463 HydrophobicContact CE2-CE 4.14Å; Y448-M463 HydrophobicContact CE2-SD 4.45Å; Y448-M463 HydrophobicContact CG-CE 4.05Å; Y448-M463 HydrophobicContact CG-SD 4.12Å; L460-M463 HydrophobicContact CB-CB 4.27Å; L460-M463 HydrophobicContact CB-CG 4.2Å; L460-M463 HydrophobicContact CB-SD 4.12Å; L460-M463 HydrophobicContact CD1-SD 3.66Å; L460-M463 HydrophobicContact CG-SD 4.39Å; L460-M463 WeakPolarHBondContact O-CB 3.44Å; L460-M463 PolarHBondContact O-N 3.45Å; C461-M463 VanDerWaalsContact C-N 3.33Å; M463-C467 CarbonylContact C-O 3.59Å; M463-C467 VanDerWaalsContact CA-O 3.29Å; M463-C467 WeakPolarHBondContact CA-O 2.87Å; M463-V468 HydrophobicContact CG-CG1 3.68Å; M463-L486 HydrophobicContact CE-CD2 4.21Å; M463-L486 HydrophobicContact SD-CD2 4.38Å
464E91.8Very high93Very high132 Ų13245.6 Ų45.662%0.61724%0.241SC*.EExtended strand (participates in β ladder)trans-143.2127.2170.5-174.8-178.9-178.600108.9E466 C467E464-E466 VanDerWaalsContact C-N 3.33Å; E464-E466 PolarHBondContact O-N 2.99Å; E464-C467 PolarHBondContact N-O 2.92Å; E464-C467 WeakPolarHBondContact O-CA 3.26Å; E464-C467 VanDerWaalsContact O-CB 3.32Å; E464-C467 WeakPolarHBondContact O-CB 3.5Å; E464-C467 PolarHBondContact O-N 2.87Å
465N91.3Very high92.3Very high141 Ų14149.7 Ų49.775%0.75427%0.272SS*.THydrogen-bonded Turntrans4950.2178.1-58.3-40.4000113.4C467N465-C467 PolarHBondContact O-N 3.15Å; N465-C467 VanDerWaalsContact O-N 3.07Å; N465-C467 PolarHBondContact O-SG 3.3Å
466E93.2Very high91.9Very high113 Ų11351.5 Ų51.553%0.52827%0.27SS..THydrogen-bonded Turntrans58.418.5-176.9-53.1-174.8152.100114.3E464 L486E464-E466 VanDerWaalsContact C-N 3.33Å; E464-E466 PolarHBondContact O-N 2.99Å; E466-L486 PolarHBondContact O-N 3.42Å
467C96Very high91.5Very high28 Ų2851.6 Ų51.619%0.18927%0.271CS..EExtended strand (participates in β ladder)trans-116146.1176.5-61.50000110.6M463 E464 N465 L483 V484M463-C467 CarbonylContact C-O 3.59Å; M463-C467 VanDerWaalsContact CA-O 3.29Å; M463-C467 WeakPolarHBondContact CA-O 2.87Å; E464-C467 PolarHBondContact N-O 2.92Å; E464-C467 WeakPolarHBondContact O-CA 3.26Å; E464-C467 VanDerWaalsContact O-CB 3.32Å; E464-C467 WeakPolarHBondContact O-CB 3.5Å; E464-C467 PolarHBondContact O-N 2.87Å; N465-C467 PolarHBondContact O-N 3.15Å; N465-C467 VanDerWaalsContact O-N 3.07Å; N465-C467 PolarHBondContact O-SG 3.3Å; C467-L483 HydrophobicContact CB-CB 4.32Å; C467-V484 CarbonylContact C-O 3.21Å; C467-V484 VanDerWaalsContact CA-O 3.25Å; C467-V484 WeakPolarHBondContact CA-O 3.5Å
468V95.3Very high91.3Very high1 Ų153.8 Ų53.81%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-106.5151.5167.6-68.20000109.9C410 M411 M463 E470 L483 V484 L486C410-V468 HydrophobicContact CB-CB 4.46Å; M411-V468 HydrophobicContact SD-CG1 3.71Å; M463-V468 HydrophobicContact CG-CG1 3.68Å; V468-E470 HydrophobicContact CG2-CG 4.47Å; V468-L483 WeakPolarHBondContact O-CA 3.44Å; V468-V484 HydrophobicContact CG2-CB 4.15Å; V468-V484 PolarHBondContact N-O 3.42Å; V468-V484 PolarHBondContact O-N 2.59Å; V468-L486 HydrophobicContact CG1-CD2 4.09Å
469T94.3Very high91.2Very high11 Ų1149.4 Ų49.47%0.06726%0.259CS..EExtended strand (participates in β ladder)trans-85.9127.1171.3-64.20000110.5N415 G416 Y471 K481N415-T469 WeakPolarHBondContact O-CB 3.47Å; N415-T469 WeakPolarHBondContact O-CG2 3.35Å; G416-T469 WeakPolarHBondContact CA-O 3.19Å; T469-Y471 HydrophobicContact CG2-CE2 4.02Å; T469-K481 HydrophobicContact CG2-CD 3.94Å; T469-K481 HydrophobicContact CG2-CG 3.53Å; T469-K481 WeakPolarHBondContact OG1-CE 3.21Å
470E92.2Very high91.1Very high11 Ų1152.5 Ų52.55%0.05128%0.279CS..EExtended strand (participates in β ladder)trans-123.2153.8168.5-61.4-165.3159.700110.6R440 V468 T482 V484R440-E470 IonicContact CZ-OE1 3.24Å; R440-E470 IonicContact CZ-OE2 2.62Å; R440-E470 IonicContact NE-OE1 2.68Å; R440-E470 PolarHBondContact NE-OE1 3.1Å; R440-E470 IonicContact NE-OE2 3.36Å; R440-E470 IonicContact NH2-OE1 2.97Å; R440-E470 IonicContact NH2-OE2 2.85Å; R440-E470 PolarHBondContact NH2-OE2 2.98Å; V468-E470 HydrophobicContact CG2-CG 4.47Å; E470-T482 PolarHBondContact N-O 3.08Å; E470-T482 PolarHBondContact O-N 3.22Å; E470-V484 HydrophobicContact CB-CG2 4.27Å; E470-V484 HydrophobicContact CG-CG2 3.99Å
471Y92.8Very high91Very high12 Ų1257.3 Ų57.35%0.04730%0.3CS..EExtended strand (participates in β ladder)trans-110.1116176.1-73.1-87000110.8L88 L92 N415 A417 V418 P419 T469 L479 K481L88-Y471 HydrophobicContact CD1-CE1 4.27Å; L88-Y471 HydrophobicContact CD1-CE2 3.67Å; L88-Y471 WeakPolarHBondContact CD1-OH 3.38Å; L88-Y471 VanDerWaalsContact CD2-OH 3.31Å; L88-Y471 WeakPolarHBondContact CD2-OH 3.31Å; L92-Y471 HydrophobicContact CD2-CD1 3.87Å; L92-Y471 HydrophobicContact CD2-CE1 4.13Å; L92-Y471 HydrophobicContact CD2-CG 4.31Å; N415-Y471 WeakPolarHBondContact O-CE2 3.49Å; A417-Y471 WeakPolarHBondContact O-CD2 3.2Å; V418-Y471 HydrophobicContact CB-CD2 4.49Å; V418-Y471 HydrophobicContact CG2-CD2 3.8Å; V418-Y471 HydrophobicContact CG2-CE2 3.99Å; V418-Y471 HydrophobicContact CG2-CG 4.42Å; P419-Y471 WeakPolarHBondContact CD-O 2.92Å; P419-Y471 VanDerWaalsContact CG-O 3.26Å; P419-Y471 WeakPolarHBondContact CG-O 3.48Å; T469-Y471 HydrophobicContact CG2-CE2 4.02Å; Y471-L479 HydrophobicContact CD1-CB 4.3Å; Y471-K481 HydrophobicContact CD1-CB 4.32Å; Y471-K481 HydrophobicContact CE1-CB 3.87Å; Y471-K481 HydrophobicContact CE1-CG 4.26Å
472R89.9Confident90.9Very high84 Ų8457.9 Ų57.932%0.31730%0.302SS..EExtended strand (participates in β ladder)trans-100.2143.5-179.8-65.3-173.8-179.1172-0.6111.4E434 L479 T480E434-R472 IonicContact OE2-CZ 3.13Å; E434-R472 IonicContact OE2-NE 3.95Å; R472-L479 CarbonylContact O-C 3.51Å; R472-L479 VanDerWaalsContact O-CA 3.31Å; R472-L479 WeakPolarHBondContact O-CA 3.38Å; R472-T480 PolarHBondContact N-O 3.22Å; R472-T480 PolarHBondContact O-N 2.9Å; R472-T480 PolarHBondContact O-OG1 3.09Å
473K87.7Confident90.9Very high50 Ų5062.7 Ų62.722%0.21733%0.326CS..EExtended strand (participates in β ladder)trans-84132.5-178.1-166.6-179.1-55.9175.70111.7F99 Q421 E424 L479F99-K473 HydrophobicContact CD2-CD 4.03Å; F99-K473 HydrophobicContact CE2-CD 4.15Å; Q421-K473 VanDerWaalsContact CD-NZ 3.29Å; E424-K473 IonicContact OE1-NZ 3.64Å; E424-K473 PolarHBondContact OE1-NZ 3.31Å; K473-L479 HydrophobicContact CB-CD2 3.99Å; K473-L479 HydrophobicContact CG-CD2 4.45Å
474S84.4Confident90.8Very high35 Ų3562.7 Ų62.725%0.24533%0.328CS..PPolyproline II helixtrans-93.9165169.364.10000111.5N476 G477 H478S474-N476 PolarHBondContact O-N 3.25Å; S474-N476 VanDerWaalsContact O-N 3.07Å; S474-N476 PolarHBondContact OG-OD1 3.25Å; S474-G477 PolarHBondContact O-N 2.75Å; S474-H478 WeakPolarHBondContact CB-O 3.49Å; S474-H478 PolarHBondContact N-O 3.46Å; S474-H478 PolarHBondContact OG-N 2.96Å; S474-H478 PolarHBondContact OG-O 3.44Å
475S80.2Confident91Very high116 Ų11660.2 Ų60.281%0.81133%0.325SS*.THydrogen-bonded Turntrans-60.6-19.9-176.455.20000114.8
476N85.6Confident91.2Very high89 Ų8953.7 Ų53.748%0.47629%0.29SS..THydrogen-bonded Turntrans-95.97177.569.911.9000113.2S474 H478S474-N476 PolarHBondContact O-N 3.25Å; S474-N476 VanDerWaalsContact O-N 3.07Å; S474-N476 PolarHBondContact OG-OD1 3.25Å; N476-H478 VanDerWaalsContact C-N 3.32Å; N476-H478 PolarHBondContact ND2-ND1 2.98Å; N476-H478 PolarHBondContact O-N 2.94Å; N476-H478 VanDerWaalsContact OD1-CB 3.3Å; N476-H478 WeakPolarHBondContact OD1-CB 3.12Å; N476-H478 PolarHBondContact OD1-N 3.3Å; N476-H478 PolarHBondContact OD1-ND1 2.76Å
477G86.3Confident91.4Very high3 Ų355.6 Ų55.63%0.03130%0.297CS..SBendtrans85.5-6.5179.300000115.5F99 S474F99-G477 VanDerWaalsContact CD1-CA 3.48Å; F99-G477 VanDerWaalsContact CE1-CA 3.48Å; S474-G477 PolarHBondContact O-N 2.75Å
478H90Very high91.4Very high102 Ų10256.9 Ų56.947%0.47231%0.305SS..PPolyproline II helixtrans-72.5146.6174.1-65.875.4000110.1S474 N476S474-H478 WeakPolarHBondContact CB-O 3.49Å; S474-H478 PolarHBondContact N-O 3.46Å; S474-H478 PolarHBondContact OG-N 2.96Å; S474-H478 PolarHBondContact OG-O 3.44Å; N476-H478 VanDerWaalsContact C-N 3.32Å; N476-H478 PolarHBondContact ND2-ND1 2.98Å; N476-H478 PolarHBondContact O-N 2.94Å; N476-H478 VanDerWaalsContact OD1-CB 3.3Å; N476-H478 WeakPolarHBondContact OD1-CB 3.12Å; N476-H478 PolarHBondContact OD1-N 3.3Å; N476-H478 PolarHBondContact OD1-ND1 2.76Å
479L91.7Very high91.5Very high29 Ų2958.7 Ų58.715%0.15231%0.314CS..EExtended strand (participates in β ladder)trans-100.7125178.4-73.8173.5000109.8L92 N95 V418 P419 Y471 R472 K473L92-L479 HydrophobicContact CD2-CB 3.82Å; L92-L479 HydrophobicContact CD2-CD1 3.73Å; L92-L479 HydrophobicContact CD2-CG 4.42Å; N95-L479 HydrophobicContact CB-CD1 3.78Å; V418-L479 HydrophobicContact CG1-CD1 3.58Å; P419-L479 HydrophobicContact CG-CD2 4.21Å; Y471-L479 HydrophobicContact CD1-CB 4.3Å; R472-L479 CarbonylContact O-C 3.51Å; R472-L479 VanDerWaalsContact O-CA 3.31Å; R472-L479 WeakPolarHBondContact O-CA 3.38Å; K473-L479 HydrophobicContact CB-CD2 3.99Å; K473-L479 HydrophobicContact CG-CD2 4.45Å
480T91.1Very high91.7Very high72 Ų7262.4 Ų62.444%0.44233%0.329SS..EExtended strand (participates in β ladder)trans-101.7126178.652.90000110.4R472 T482R472-T480 PolarHBondContact N-O 3.22Å; R472-T480 PolarHBondContact O-N 2.9Å; R472-T480 PolarHBondContact O-OG1 3.09Å; T480-T482 PolarHBondContact O-N 3.4Å; T480-T482 PolarHBondContact O-OG1 3.17Å
481K93.2Very high91.9Very high113 Ų11362.3 Ų62.349%0.49133%0.33SS..EExtended strand (participates in β ladder)trans-62.1126.9173.9-171.5174.2171.2167.30109.9N415 T469 Y471N415-K481 PolarHBondContact OD1-NZ 3.31Å; N415-K481 VanDerWaalsContact OD1-NZ 3.09Å; T469-K481 HydrophobicContact CG2-CD 3.94Å; T469-K481 HydrophobicContact CG2-CG 3.53Å; T469-K481 WeakPolarHBondContact OG1-CE 3.21Å; Y471-K481 HydrophobicContact CD1-CB 4.32Å; Y471-K481 HydrophobicContact CE1-CB 3.87Å; Y471-K481 HydrophobicContact CE1-CG 4.26Å
482T91.9Very high92Very high33 Ų3362.4 Ų62.420%0.20233%0.332CS..EExtended strand (participates in β ladder)trans-130.1136.4179.5-54.80000109.1E470 T480 V484E470-T482 PolarHBondContact N-O 3.08Å; E470-T482 PolarHBondContact O-N 3.22Å; T480-T482 PolarHBondContact O-N 3.4Å; T480-T482 PolarHBondContact O-OG1 3.17Å; T482-V484 HydrophobicContact CG2-CG2 4.39Å
483L94.1Very high92.1Very high107 Ų10767.8 Ų67.856%0.5635%0.354SS*.EExtended strand (participates in β ladder)trans-92.2129.5171.7-66.1175.7000109.5C467 V468C467-L483 HydrophobicContact CB-CB 4.32Å; V468-L483 WeakPolarHBondContact O-CA 3.44Å
484V94Very high92.3Very high35 Ų3566.1 Ų66.121%0.21235%0.349CS..EExtended strand (participates in β ladder)trans-119.2119.6179.6-1780000108.5C467 V468 E470 T482C467-V484 CarbonylContact C-O 3.21Å; C467-V484 VanDerWaalsContact CA-O 3.25Å; C467-V484 WeakPolarHBondContact CA-O 3.5Å; V468-V484 HydrophobicContact CG2-CB 4.15Å; V468-V484 PolarHBondContact N-O 3.42Å; V468-V484 PolarHBondContact O-N 2.59Å; E470-V484 HydrophobicContact CB-CG2 4.27Å; E470-V484 HydrophobicContact CG-CG2 3.99Å; T482-V484 HydrophobicContact CG2-CG2 4.39Å
485S96.2Very high92.6Very high80 Ų8072.5 Ų72.556%0.55938%0.375SS*.EExtended strand (participates in β ladder)trans-66.1137.4175.4177.30000110.6
486L95.7Very high93.1Very high4 Ų469 Ų692%0.02135%0.349CS..  trans-128145.3-176.8-16870.2000110M411 N444 Y448 M463 E466 V468M411-L486 HydrophobicContact CE-CD2 3.72Å; M411-L486 HydrophobicContact SD-CD2 3.75Å; N444-L486 HydrophobicContact CB-CD1 3.77Å; N444-L486 HydrophobicContact CB-CD2 3.76Å; N444-L486 HydrophobicContact CB-CG 4.43Å; Y448-L486 HydrophobicContact CD1-CD2 4.21Å; Y448-L486 HydrophobicContact CD1-CG 4.34Å; M463-L486 HydrophobicContact CE-CD2 4.21Å; M463-L486 HydrophobicContact SD-CD2 4.38Å; E466-L486 PolarHBondContact O-N 3.42Å; V468-L486 HydrophobicContact CG1-CD2 4.09Å
487K96Very high93.3Very high152 Ų15266 Ų6666%0.66133%0.334SS*.  trans-118.7144.3174.6-66.8-175.8178.6-177.90110G445 L489G445-K487 VanDerWaalsContact CA-O 3.31Å; G445-K487 WeakPolarHBondContact CA-O 3.31Å; K487-L489 PolarHBondContact O-N 2.86Å
488P97.3Very high93.5Very high56 Ų5669.4 Ų69.436%0.36435%0.349SS..  trans-68.8131.8175.828.9-31.7000109.4Y448Y448-P488 HydrophobicContact CD1-CB 3.82Å; Y448-P488 HydrophobicContact CD1-CG 4.3Å; Y448-P488 VanDerWaalsContact CD1-N 3.35Å; Y448-P488 HydrophobicContact CD2-CB 4.49Å; Y448-P488 HydrophobicContact CE1-CB 4.08Å; Y448-P488 VanDerWaalsContact CE1-CD 3.49Å; Y448-P488 HydrophobicContact CE1-CG 4.1Å; Y448-P488 HydrophobicContact CG-CB 4.03Å
489L97.9Very high93.6Very high38 Ų3869.4 Ų69.420%0.19935%0.348CS..  trans-118.1147178.1-59.1-179.3000110G445 L446 G449 K487 F508G445-L489 PolarHBondContact O-N 3.48Å; L446-L489 HydrophobicContact CD2-CB 4.33Å; G449-L489 WeakPolarHBondContact CA-O 3.23Å; K487-L489 PolarHBondContact O-N 2.86Å; L489-F508 HydrophobicContact CD1-CE1 4.36Å; L489-F508 HydrophobicContact CD2-CE1 3.99Å
490K97Very high93.8Very high89 Ų8968.1 Ų68.139%0.38734%0.342SS..  trans-131.2150.9172.1-60.4-177.8178.8-176.80108.3Y637K490-Y637 HydrophobicContact CB-CE1 4.5Å; K490-Y637 HydrophobicContact CB-CE2 4.38Å; K490-Y637 HydrophobicContact CD-CD1 4.18Å; K490-Y637 HydrophobicContact CD-CE1 3.58Å; K490-Y637 HydrophobicContact CG-CE1 3.97Å; K490-Y637 HydrophobicContact CG-CE2 4.35Å
491P96.1Very high93.9Very high9 Ų965.1 Ų65.16%0.05832%0.322CS..PPolyproline II helixtrans-51.3143.6164.2-2434.3000111L446 Y493 L633 Y637L446-P491 HydrophobicContact CD2-CG 4.48Å; P491-Y493 PolarHBondContact O-N 3.38Å; P491-L633 HydrophobicContact CG-CB 3.68Å; P491-Y637 HydrophobicContact CG-CD2 4.09Å
492P95.9Very high94Very high15 Ų1560.5 Ų60.510%0.09730%0.304CS..PPolyproline II helixtrans-61.3137.4178.1-20.133.4000109.9A494 S500 F504 Q507 F508P492-A494 PolarHBondContact O-N 2.93Å; P492-S500 VanDerWaalsContact O-CB 3.29Å; P492-S500 WeakPolarHBondContact O-CB 3.18Å; P492-S500 PolarHBondContact O-OG 3.1Å; P492-F504 HydrophobicContact CG-CB 4.5Å; P492-Q507 HydrophobicContact CG-CB 4.5Å; P492-Q507 VanDerWaalsContact CG-OE1 3.23Å; P492-F508 HydrophobicContact CG-CD2 4.5Å; P492-F508 HydrophobicContact CG-CE2 3.9Å
493Y92.7Very high94.2Very high196 Ų19661 Ų6177%0.76931%0.309SS*.PPolyproline II helixtrans-61.7137.1171.2178.6-96.3000109.9P491P491-Y493 PolarHBondContact O-N 3.38Å
494A91.8Very high94.4Very high15 Ų1556 Ų5612%0.12428%0.282CS..  trans-151.8167176.100000110.1P492 T496 F499 S500P492-A494 PolarHBondContact O-N 2.93Å; A494-T496 VanDerWaalsContact C-N 3.26Å; A494-T496 PolarHBondContact O-N 2.85Å; A494-F499 HydrophobicContact CB-CB 3.74Å; A494-S500 VanDerWaalsContact CB-N 3.33Å
495E89.8Confident94.5Very high170 Ų17054.3 Ų54.379%0.79427%0.272SS*.SBendtrans-61.9-33.6179.7-64.4178.5-179.200113
496T89.8Confident94.5Very high42 Ų4252.6 Ų52.626%0.25826%0.26SS..SBendtrans-135156176.786.60000111.5A494 E498 F499 S500 I638A494-T496 VanDerWaalsContact C-N 3.26Å; A494-T496 PolarHBondContact O-N 2.85Å; T496-E498 WeakPolarHBondContact CB-OE2 3.35Å; T496-E498 PolarHBondContact O-N 3.02Å; T496-E498 PolarHBondContact OG1-N 3.06Å; T496-E498 PolarHBondContact OG1-OE2 3.09Å; T496-F499 HydrophobicContact CG2-CD2 3.98Å; T496-F499 HydrophobicContact CG2-CE2 4.32Å; T496-F499 PolarHBondContact O-N 2.96Å; T496-F499 VanDerWaalsContact O-N 3.13Å; T496-F499 VanDerWaalsContact OG1-CD2 3.24Å; T496-F499 WeakPolarHBondContact OG1-CD2 3.47Å; T496-F499 PolarHBondContact OG1-N 3.43Å; T496-S500 PolarHBondContact O-N 2.89Å; T496-I638 VanDerWaalsContact C-CD1 3.45Å
497P90.5Very high94.6Very high25 Ų2558.3 Ų58.316%0.16229%0.287CS..Hα-helixtrans-54.8-35.1175.4-25.735.6000113.3S500 F501 C634 P635 I638 L649P497-S500 WeakPolarHBondContact O-CB 3.49Å; P497-S500 PolarHBondContact O-N 2.77Å; P497-F501 WeakPolarHBondContact O-CB 3.43Å; P497-F501 PolarHBondContact O-N 2.91Å; P497-C634 HydrophobicContact CB-CB 4.41Å; P497-P635 HydrophobicContact CB-CB 3.99Å; P497-P635 HydrophobicContact CG-CB 3.85Å; P497-I638 HydrophobicContact CB-CD1 4.37Å; P497-I638 HydrophobicContact CG-CD1 4.13Å; P497-L649 HydrophobicContact CB-CD2 4.05Å; P497-L649 HydrophobicContact CG-CD2 4.4Å
498E91.1Very high94.6Very high75 Ų7553 Ų5335%0.3526%0.264SS..Hα-helixtrans-65.2-42.9177.5-62.781.1-172.700112.5T496 F501 V502 L649 F653T496-E498 WeakPolarHBondContact CB-OE2 3.35Å; T496-E498 PolarHBondContact O-N 3.02Å; T496-E498 PolarHBondContact OG1-N 3.06Å; T496-E498 PolarHBondContact OG1-OE2 3.09Å; E498-F501 WeakPolarHBondContact O-CB 3.42Å; E498-F501 PolarHBondContact O-N 2.89Å; E498-V502 WeakPolarHBondContact O-CG2 3.34Å; E498-V502 PolarHBondContact O-N 2.95Å; E498-L649 VanDerWaalsContact OE1-CD2 3.26Å; E498-L649 WeakPolarHBondContact OE1-CD2 3.33Å; E498-F653 HydrophobicContact CB-CE2 3.68Å; E498-F653 HydrophobicContact CB-CZ 3.73Å; E498-F653 HydrophobicContact CG-CE2 4Å; E498-F653 HydrophobicContact CG-CZ 4.19Å
499F92.6Very high94.6Very high102 Ų10250.7 Ų50.745%0.44725%0.248SC..Hα-helixtrans-68.6-37.7175.3-74.8-71.7000111.7A494 T496 F501 V502 S503 K515A494-F499 HydrophobicContact CB-CB 3.74Å; T496-F499 HydrophobicContact CG2-CD2 3.98Å; T496-F499 HydrophobicContact CG2-CE2 4.32Å; T496-F499 PolarHBondContact O-N 2.96Å; T496-F499 VanDerWaalsContact O-N 3.13Å; T496-F499 VanDerWaalsContact OG1-CD2 3.24Å; T496-F499 WeakPolarHBondContact OG1-CD2 3.47Å; T496-F499 PolarHBondContact OG1-N 3.43Å; F499-F501 VanDerWaalsContact C-N 3.31Å; F499-F501 PolarHBondContact O-N 2.91Å; F499-V502 PolarHBondContact O-N 3.13Å; F499-S503 WeakPolarHBondContact O-CB 3.17Å; F499-S503 PolarHBondContact O-N 2.97Å; F499-K515 VanDerWaalsContact CE1-NZ 3.32Å
500S94.2Very high94.5Very high2 Ų254.1 Ų54.11%0.01427%0.267CS..Hα-helixtrans-60.4-44173.4-179.60000110.9P492 A494 T496 P497 S503 F504P492-S500 VanDerWaalsContact O-CB 3.29Å; P492-S500 WeakPolarHBondContact O-CB 3.18Å; P492-S500 PolarHBondContact O-OG 3.1Å; A494-S500 VanDerWaalsContact CB-N 3.33Å; T496-S500 PolarHBondContact O-N 2.89Å; P497-S500 WeakPolarHBondContact O-CB 3.49Å; P497-S500 PolarHBondContact O-N 2.77Å; S500-S503 PolarHBondContact O-N 3.14Å; S500-F504 WeakPolarHBondContact O-CB 3.39Å; S500-F504 PolarHBondContact O-N 3.41Å
501F94.4Very high94.5Very high9 Ų949.9 Ų49.94%0.03925%0.249CC..Hα-helixtrans-59.5-51.7177-175.1-82000112.1P497 E498 F499 S503 F504 F505 L513 V627 I630 E631 N651 F653 I654P497-F501 WeakPolarHBondContact O-CB 3.43Å; P497-F501 PolarHBondContact O-N 2.91Å; E498-F501 WeakPolarHBondContact O-CB 3.42Å; E498-F501 PolarHBondContact O-N 2.89Å; F499-F501 VanDerWaalsContact C-N 3.31Å; F499-F501 PolarHBondContact O-N 2.91Å; F501-S503 VanDerWaalsContact C-N 3.35Å; F501-S503 PolarHBondContact O-N 2.87Å; F501-F504 WeakPolarHBondContact O-CB 3.48Å; F501-F504 PolarHBondContact O-N 3.28Å; F501-F505 HydrophobicContact CD1-CD2 4.28Å; F501-F505 HydrophobicContact CD1-CE2 4.16Å; F501-F505 AromaticContact CE1-CD2 3.96Å; F501-F505 HydrophobicContact CE1-CD2 3.96Å; F501-F505 AromaticContact CE1-CE2 3.45Å; F501-F505 HydrophobicContact CE1-CE2 3.45Å; F501-F505 VanDerWaalsContact CE1-CE2 3.45Å; F501-F505 HydrophobicContact CE1-CZ 4.34Å; F501-F505 HydrophobicContact CE2-CE2 4.29Å; F501-F505 HydrophobicContact CZ-CD2 4.42Å; F501-F505 AromaticContact CZ-CE2 3.53Å; F501-F505 HydrophobicContact CZ-CE2 3.53Å; F501-F505 HydrophobicContact CZ-CZ 4.24Å; F501-F505 WeakPolarHBondContact O-CD2 3.47Å; F501-F505 PolarHBondContact O-N 3.41Å; F501-L513 HydrophobicContact CD1-CD1 4.49Å; F501-L513 HydrophobicContact CE1-CD1 3.96Å; F501-V627 HydrophobicContact CE2-CG1 4.36Å; F501-V627 HydrophobicContact CZ-CG1 4.24Å; F501-V627 HydrophobicContact CZ-CG2 4.39Å; F501-I630 HydrophobicContact CD2-CD1 3.84Å; F501-I630 HydrophobicContact CD2-CG1 3.77Å; F501-I630 HydrophobicContact CE2-CD1 3.55Å; F501-I630 HydrophobicContact CE2-CG1 3.54Å; F501-I630 HydrophobicContact CZ-CD1 4.1Å; F501-I630 HydrophobicContact CZ-CG1 4.5Å; F501-E631 HydrophobicContact CD2-CG 4.45Å; F501-E631 HydrophobicContact CE2-CG 3.95Å; F501-N651 VanDerWaalsContact CZ-ND2 3.26Å; F501-N651 WeakPolarHBondContact CZ-ND2 3.26Å; F501-F653 HydrophobicContact CD1-CB 4.4Å; F501-F653 AromaticContact CD1-CD2 3.71Å; F501-F653 HydrophobicContact CD1-CD2 3.71Å; F501-F653 HydrophobicContact CD1-CE2 4.5Å; F501-F653 HydrophobicContact CD1-CG 4.36Å; F501-F653 HydrophobicContact CE1-CB 4.08Å; F501-F653 HydrophobicContact CE1-CD2 4.13Å; F501-F653 HydrophobicContact CG-CD2 4.45Å; F501-I654 HydrophobicContact CE1-CG2 3.96Å; F501-I654 HydrophobicContact CZ-CG2 3.74Å
502V94.9Very high94.5Very high17 Ų1754.2 Ų54.210%0.10327%0.271CS..Hα-helixtrans-66.1-39.5179.1176.80000111.3E498 F499 F504 F505 S506 F653E498-V502 WeakPolarHBondContact O-CG2 3.34Å; E498-V502 PolarHBondContact O-N 2.95Å; F499-V502 PolarHBondContact O-N 3.13Å; V502-F504 VanDerWaalsContact C-N 3.27Å; V502-F504 PolarHBondContact O-N 3.24Å; V502-F505 PolarHBondContact O-N 3.41Å; V502-S506 PolarHBondContact O-N 2.54Å; V502-F653 HydrophobicContact CG2-CD1 3.88Å; V502-F653 HydrophobicContact CG2-CD2 4.06Å; V502-F653 HydrophobicContact CG2-CE1 3.9Å; V502-F653 HydrophobicContact CG2-CE2 4.08Å; V502-F653 HydrophobicContact CG2-CG 3.97Å; V502-F653 HydrophobicContact CG2-CZ 4.01Å
503S96Very high94.5Very high44 Ų4453.9 Ų53.931%0.30827%0.268SS..Hα-helixtrans-61.4-36.8175.9-173.10000111.7F499 S500 F501 F505 S506 Q507F499-S503 WeakPolarHBondContact O-CB 3.17Å; F499-S503 PolarHBondContact O-N 2.97Å; S500-S503 PolarHBondContact O-N 3.14Å; F501-S503 VanDerWaalsContact C-N 3.35Å; F501-S503 PolarHBondContact O-N 2.87Å; S503-F505 PolarHBondContact O-N 3.17Å; S503-S506 PolarHBondContact O-N 3.19Å; S503-Q507 WeakPolarHBondContact O-CB 3.44Å; S503-Q507 PolarHBondContact O-N 2.95Å
504F97.4Very high94.6Very high0 Ų047 Ų470%024%0.243CC..Hα-helixtrans-58.1-48175.9-178.5-84.6000111.8I442 L446 P492 S500 F501 V502 S506 Q507 F508 L626 I630I442-F504 HydrophobicContact CG2-CE1 4.49Å; I442-F504 HydrophobicContact CG2-CZ 3.73Å; L446-F504 HydrophobicContact CD1-CE2 4.1Å; L446-F504 HydrophobicContact CD1-CZ 3.9Å; L446-F504 HydrophobicContact CD2-CE2 3.95Å; L446-F504 HydrophobicContact CG-CE2 4.39Å; P492-F504 HydrophobicContact CG-CB 4.5Å; S500-F504 WeakPolarHBondContact O-CB 3.39Å; S500-F504 PolarHBondContact O-N 3.41Å; F501-F504 WeakPolarHBondContact O-CB 3.48Å; F501-F504 PolarHBondContact O-N 3.28Å; V502-F504 VanDerWaalsContact C-N 3.27Å; V502-F504 PolarHBondContact O-N 3.24Å; F504-S506 VanDerWaalsContact C-N 3.31Å; F504-S506 PolarHBondContact O-N 2.89Å; F504-Q507 PolarHBondContact O-N 2.99Å; F504-F508 HydrophobicContact CD1-CD2 4.5Å; F504-F508 AromaticContact CD2-CD2 3.34Å; F504-F508 HydrophobicContact CD2-CD2 3.34Å; F504-F508 AromaticContact CD2-CE2 3.72Å; F504-F508 HydrophobicContact CD2-CE2 3.72Å; F504-F508 HydrophobicContact CD2-CG 4.26Å; F504-F508 HydrophobicContact CE1-CB 4.26Å; F504-F508 HydrophobicContact CE2-CB 4.32Å; F504-F508 AromaticContact CE2-CD2 3.43Å; F504-F508 HydrophobicContact CE2-CD2 3.43Å; F504-F508 VanDerWaalsContact CE2-CD2 3.43Å; F504-F508 AromaticContact CE2-CE2 3.89Å; F504-F508 HydrophobicContact CE2-CE2 3.89Å; F504-F508 AromaticContact CE2-CG 3.95Å; F504-F508 HydrophobicContact CE2-CG 3.95Å; F504-F508 AromaticContact CG-CD2 3.91Å; F504-F508 HydrophobicContact CG-CD2 3.91Å; F504-F508 HydrophobicContact CZ-CB 4.1Å; F504-F508 HydrophobicContact CZ-CD2 4.08Å; F504-F508 HydrophobicContact CZ-CG 4.21Å; F504-F508 WeakPolarHBondContact O-CB 3.41Å; F504-F508 PolarHBondContact O-N 2.76Å; F504-L626 HydrophobicContact CE1-CD1 3.83Å; F504-L626 HydrophobicContact CE1-CD2 4.14Å; F504-L626 HydrophobicContact CE1-CG 4.3Å; F504-L626 HydrophobicContact CZ-CD1 3.89Å; F504-I630 HydrophobicContact CD1-CD1 3.8Å; F504-I630 HydrophobicContact CD1-CG2 4.35Å; F504-I630 HydrophobicContact CD2-CG2 4.37Å; F504-I630 HydrophobicContact CE1-CD1 4.23Å; F504-I630 HydrophobicContact CE1-CG2 4.17Å; F504-I630 HydrophobicContact CE2-CG2 4.2Å; F504-I630 HydrophobicContact CG-CD1 4.35Å; F504-I630 HydrophobicContact CG-CG2 4.47Å; F504-I630 HydrophobicContact CZ-CG2 4.09Å
505F97.1Very high94.5Very high0 Ų050.8 Ų50.80%026%0.257CS..Hα-helixtrans-61.3-41.2176.6-83.4-101.1000111.8F501 V502 S503 L509 N510 L511 L513 V527 V627 I630 I654F501-F505 HydrophobicContact CD1-CD2 4.28Å; F501-F505 HydrophobicContact CD1-CE2 4.16Å; F501-F505 AromaticContact CE1-CD2 3.96Å; F501-F505 HydrophobicContact CE1-CD2 3.96Å; F501-F505 AromaticContact CE1-CE2 3.45Å; F501-F505 HydrophobicContact CE1-CE2 3.45Å; F501-F505 VanDerWaalsContact CE1-CE2 3.45Å; F501-F505 HydrophobicContact CE1-CZ 4.34Å; F501-F505 HydrophobicContact CE2-CE2 4.29Å; F501-F505 HydrophobicContact CZ-CD2 4.42Å; F501-F505 AromaticContact CZ-CE2 3.53Å; F501-F505 HydrophobicContact CZ-CE2 3.53Å; F501-F505 HydrophobicContact CZ-CZ 4.24Å; F501-F505 WeakPolarHBondContact O-CD2 3.47Å; F501-F505 PolarHBondContact O-N 3.41Å; V502-F505 PolarHBondContact O-N 3.41Å; S503-F505 PolarHBondContact O-N 3.17Å; F505-L509 HydrophobicContact CD1-CD1 3.65Å; F505-L509 HydrophobicContact CE1-CD1 3.81Å; F505-L509 HydrophobicContact CG-CD1 4.27Å; F505-L509 CarbonylContact O-C 3.36Å; F505-L509 WeakPolarHBondContact O-CA 3.28Å; F505-L509 WeakPolarHBondContact O-CB 3.36Å; F505-L509 PolarHBondContact O-N 3.12Å; F505-L509 VanDerWaalsContact O-N 3.07Å; F505-N510 PolarHBondContact O-N 3.23Å; F505-L511 CarbonylContact C-O 3.12Å; F505-L511 WeakPolarHBondContact CB-O 3.34Å; F505-L511 PolarHBondContact O-N 3.27Å; F505-L511 VanDerWaalsContact O-N 3.08Å; F505-L513 HydrophobicContact CB-CD1 4.24Å; F505-L513 HydrophobicContact CB-CG 4.02Å; F505-L513 HydrophobicContact CD1-CD1 3.97Å; F505-L513 HydrophobicContact CD1-CD2 3.84Å; F505-L513 HydrophobicContact CD1-CG 4.01Å; F505-L513 HydrophobicContact CD2-CD1 3.68Å; F505-L513 HydrophobicContact CD2-CG 4.37Å; F505-L513 HydrophobicContact CE1-CD1 4.23Å; F505-L513 HydrophobicContact CE1-CD2 4.25Å; F505-L513 HydrophobicContact CE2-CD1 3.95Å; F505-L513 HydrophobicContact CG-CD1 3.69Å; F505-L513 HydrophobicContact CG-CD2 4.24Å; F505-L513 HydrophobicContact CG-CG 3.88Å; F505-L513 HydrophobicContact CZ-CD1 4.23Å; F505-V527 HydrophobicContact CE1-CG1 4.17Å; F505-V627 HydrophobicContact CZ-CG2 3.89Å; F505-I630 HydrophobicContact CD2-CD1 4.38Å; F505-I630 HydrophobicContact CE2-CD1 3.72Å; F505-I654 HydrophobicContact CE1-CD1 4.1Å; F505-I654 HydrophobicContact CZ-CD1 4.2Å; F505-I654 HydrophobicContact CZ-CG2 4.3Å
506S96.7Very high94.6Very high44 Ų4450.1 Ų50.131%0.30826%0.259SS..Hα-helixtrans-64.2-50.9178.3-168.80000111.4V502 S503 F504 N510 L511 N512V502-S506 PolarHBondContact O-N 2.54Å; S503-S506 PolarHBondContact O-N 3.19Å; F504-S506 VanDerWaalsContact C-N 3.31Å; F504-S506 PolarHBondContact O-N 2.89Å; S506-N510 WeakPolarHBondContact O-CA 3.45Å; S506-N510 PolarHBondContact O-N 2.9Å; S506-L511 WeakPolarHBondContact CA-O 3.36Å; S506-L511 PolarHBondContact N-O 3.05Å; S506-L511 VanDerWaalsContact N-O 3.09Å; S506-N512 VanDerWaalsContact CB-OD1 3.3Å; S506-N512 WeakPolarHBondContact CB-OD1 3.49Å; S506-N512 PolarHBondContact OG-OD1 3.06Å
507Q96.9Very high94.9Very high124 Ų12450 Ų5058%0.57926%0.255SS*.Hα-helixtrans-75.2-42.1-173-176.2174.3-9.900113.4P492 S503 F504P492-Q507 HydrophobicContact CG-CB 4.5Å; P492-Q507 VanDerWaalsContact CG-OE1 3.23Å; S503-Q507 WeakPolarHBondContact O-CB 3.44Å; S503-Q507 PolarHBondContact O-N 2.95Å; F504-Q507 PolarHBondContact O-N 2.99Å
508F97.1Very high95.1Very high40 Ų4054.4 Ų54.418%0.17527%0.272CS..Hα-helixtrans-99.8-27.3-172-65.3-76.5000113.6I442 L489 P492 F504I442-F508 HydrophobicContact CD1-CB 4.45Å; L489-F508 HydrophobicContact CD1-CE1 4.36Å; L489-F508 HydrophobicContact CD2-CE1 3.99Å; P492-F508 HydrophobicContact CG-CD2 4.5Å; P492-F508 HydrophobicContact CG-CE2 3.9Å; F504-F508 HydrophobicContact CD1-CD2 4.5Å; F504-F508 AromaticContact CD2-CD2 3.34Å; F504-F508 HydrophobicContact CD2-CD2 3.34Å; F504-F508 AromaticContact CD2-CE2 3.72Å; F504-F508 HydrophobicContact CD2-CE2 3.72Å; F504-F508 HydrophobicContact CD2-CG 4.26Å; F504-F508 HydrophobicContact CE1-CB 4.26Å; F504-F508 HydrophobicContact CE2-CB 4.32Å; F504-F508 AromaticContact CE2-CD2 3.43Å; F504-F508 HydrophobicContact CE2-CD2 3.43Å; F504-F508 VanDerWaalsContact CE2-CD2 3.43Å; F504-F508 AromaticContact CE2-CE2 3.89Å; F504-F508 HydrophobicContact CE2-CE2 3.89Å; F504-F508 AromaticContact CE2-CG 3.95Å; F504-F508 HydrophobicContact CE2-CG 3.95Å; F504-F508 AromaticContact CG-CD2 3.91Å; F504-F508 HydrophobicContact CG-CD2 3.91Å; F504-F508 HydrophobicContact CZ-CB 4.1Å; F504-F508 HydrophobicContact CZ-CD2 4.08Å; F504-F508 HydrophobicContact CZ-CG 4.21Å; F504-F508 WeakPolarHBondContact O-CB 3.41Å; F504-F508 PolarHBondContact O-N 2.76Å
509L96.7Very high95.2Very high8 Ų852.6 Ų52.64%0.04227%0.266CS..Hα-helixtrans-111.2-5.5-179.3-55.3-179.4000113.5M439 I442 F505 L511 L531 R534 L626M439-L509 HydrophobicContact CE-CD2 4.42Å; I442-L509 HydrophobicContact CD1-CD2 3.64Å; F505-L509 HydrophobicContact CD1-CD1 3.65Å; F505-L509 HydrophobicContact CE1-CD1 3.81Å; F505-L509 HydrophobicContact CG-CD1 4.27Å; F505-L509 CarbonylContact O-C 3.36Å; F505-L509 WeakPolarHBondContact O-CA 3.28Å; F505-L509 WeakPolarHBondContact O-CB 3.36Å; F505-L509 PolarHBondContact O-N 3.12Å; F505-L509 VanDerWaalsContact O-N 3.07Å; L509-L511 VanDerWaalsContact C-N 3.31Å; L509-L511 HydrophobicContact CB-CD1 4.32Å; L509-L511 PolarHBondContact O-N 3.03Å; L509-L531 HydrophobicContact CB-CD2 4.32Å; L509-L531 HydrophobicContact CD1-CD1 4.2Å; L509-R534 PolarHBondContact O-NH1 3.39Å; L509-L626 HydrophobicContact CD1-CD2 3.89Å
510N96.6Very high95.4Very high110 Ų11048.7 Ų48.759%0.58825%0.25SC*.  trans53.349.3-175.3-166.841.8000111.6F505 S506 R534F505-N510 PolarHBondContact O-N 3.23Å; S506-N510 WeakPolarHBondContact O-CA 3.45Å; S506-N510 PolarHBondContact O-N 2.9Å; N510-R534 PolarHBondContact O-NH1 2.87Å
511L96.7Very high95.6Very high1 Ų151.3 Ų51.31%0.00526%0.262CS..  trans-138121.4-179.4-73.2174.1000110.7F505 S506 L509 L513 V527 I530 L531 L724F505-L511 CarbonylContact C-O 3.12Å; F505-L511 WeakPolarHBondContact CB-O 3.34Å; F505-L511 PolarHBondContact O-N 3.27Å; F505-L511 VanDerWaalsContact O-N 3.08Å; S506-L511 WeakPolarHBondContact CA-O 3.36Å; S506-L511 PolarHBondContact N-O 3.05Å; S506-L511 VanDerWaalsContact N-O 3.09Å; L509-L511 VanDerWaalsContact C-N 3.31Å; L509-L511 HydrophobicContact CB-CD1 4.32Å; L509-L511 PolarHBondContact O-N 3.03Å; L511-L513 PolarHBondContact O-N 3.19Å; L511-V527 HydrophobicContact CD1-CB 4.43Å; L511-V527 HydrophobicContact CD1-CG1 3.85Å; L511-V527 HydrophobicContact CD1-CG2 4.27Å; L511-I530 HydrophobicContact CD2-CB 4.43Å; L511-I530 HydrophobicContact CD2-CD1 4.06Å; L511-I530 HydrophobicContact CD2-CG2 3.85Å; L511-L531 HydrophobicContact CD1-CD1 4.13Å; L511-L531 HydrophobicContact CD1-CD2 3.79Å; L511-L531 HydrophobicContact CD1-CG 3.85Å; L511-L724 HydrophobicContact CD2-CB 4.33Å
512N95.8Very high95.7Very high99 Ų9950.9 Ų50.953%0.52926%0.26SS..  trans-95.694.4176.1-65.3-43.3000109.6S506 L724S506-N512 VanDerWaalsContact CB-OD1 3.3Å; S506-N512 WeakPolarHBondContact CB-OD1 3.49Å; S506-N512 PolarHBondContact OG-OD1 3.06Å; N512-L724 WeakPolarHBondContact O-CD2 3.24Å
513L95.9Very high95.9Very high8 Ų850.1 Ų50.14%0.04226%0.255CS..  trans-57.5139.9-179.9-59.9-177.5000111.9F501 F505 L511 K515 Q523 V527 F653F501-L513 HydrophobicContact CD1-CD1 4.49Å; F501-L513 HydrophobicContact CE1-CD1 3.96Å; F505-L513 HydrophobicContact CB-CD1 4.24Å; F505-L513 HydrophobicContact CB-CG 4.02Å; F505-L513 HydrophobicContact CD1-CD1 3.97Å; F505-L513 HydrophobicContact CD1-CD2 3.84Å; F505-L513 HydrophobicContact CD1-CG 4.01Å; F505-L513 HydrophobicContact CD2-CD1 3.68Å; F505-L513 HydrophobicContact CD2-CG 4.37Å; F505-L513 HydrophobicContact CE1-CD1 4.23Å; F505-L513 HydrophobicContact CE1-CD2 4.25Å; F505-L513 HydrophobicContact CE2-CD1 3.95Å; F505-L513 HydrophobicContact CG-CD1 3.69Å; F505-L513 HydrophobicContact CG-CD2 4.24Å; F505-L513 HydrophobicContact CG-CG 3.88Å; F505-L513 HydrophobicContact CZ-CD1 4.23Å; L511-L513 PolarHBondContact O-N 3.19Å; L513-K515 PolarHBondContact O-N 3.42Å; L513-Q523 HydrophobicContact CD2-CG 4.35Å; L513-V527 HydrophobicContact CD2-CG2 3.68Å; L513-F653 HydrophobicContact CD1-CB 4.1Å
514E94.6Very high96Very high52 Ų5248 Ų4824%0.24324%0.241CC..  trans-80.1108.7175.2-68.1-66.2151.200110D516 F517 Q523 L720 K723 L724E514-D516 VanDerWaalsContact C-N 3.33Å; E514-D516 PolarHBondContact O-N 3.27Å; E514-F517 HydrophobicContact CB-CB 3.55Å; E514-F517 HydrophobicContact CB-CG 4.39Å; E514-F517 WeakPolarHBondContact O-CB 3.49Å; E514-F517 PolarHBondContact O-N 3.21Å; E514-Q523 PolarHBondContact O-NE2 3.42Å; E514-L720 HydrophobicContact CB-CD1 4.29Å; E514-L720 HydrophobicContact CG-CD1 3.55Å; E514-K723 HydrophobicContact CG-CD 4.33Å; E514-K723 WeakPolarHBondContact OE1-CD 2.84Å; E514-K723 WeakPolarHBondContact OE1-CE 3.36Å; E514-K723 IonicContact OE1-NZ 2.71Å; E514-K723 PolarHBondContact OE1-NZ 3Å; E514-K723 IonicContact OE2-NZ 2.72Å; E514-K723 PolarHBondContact OE2-NZ 3.35Å; E514-L724 HydrophobicContact CG-CD2 4.24Å
515K90.7Very high96.1Very high94 Ų9448.1 Ų48.141%0.40924%0.241SC..THydrogen-bonded Turntrans-60.1-39.2-169.9-64.3-178.1-179.3-1790113.9F499 L513 F653F499-K515 VanDerWaalsContact CE1-NZ 3.32Å; L513-K515 PolarHBondContact O-N 3.42Å; K515-F653 HydrophobicContact CB-CD1 4.44Å; K515-F653 HydrophobicContact CB-CE1 4.2Å; K515-F653 HydrophobicContact CG-CD1 4.42Å; K515-F653 HydrophobicContact CG-CE1 4.12Å
516D91.6Very high96.1Very high156 Ų15648.1 Ų48.183%0.83424%0.241SC*.THydrogen-bonded Turntrans-98.66.4-176.5-57.7-47.3000113.2E514 K518E514-D516 VanDerWaalsContact C-N 3.33Å; E514-D516 PolarHBondContact O-N 3.27Å; D516-K518 PolarHBondContact O-N 3.35Å
517F95Very high96.2Very high41 Ų4146 Ų4618%0.1823%0.227CC..  trans-69.6134.8-174.8-173.5-85.6000111.8E514 P519 L520 I522 Q523 L720E514-F517 HydrophobicContact CB-CB 3.55Å; E514-F517 HydrophobicContact CB-CG 4.39Å; E514-F517 WeakPolarHBondContact O-CB 3.49Å; E514-F517 PolarHBondContact O-N 3.21Å; F517-P519 WeakPolarHBondContact CD1-O 3.26Å; F517-P519 VanDerWaalsContact CE1-O 3.3Å; F517-P519 WeakPolarHBondContact CE1-O 3.49Å; F517-L520 VanDerWaalsContact O-CD2 3.31Å; F517-L520 WeakPolarHBondContact O-CD2 3.29Å; F517-I522 HydrophobicContact CE1-CB 3.93Å; F517-I522 HydrophobicContact CE1-CG2 3.76Å; F517-I522 HydrophobicContact CZ-CB 4.38Å; F517-I522 HydrophobicContact CZ-CG2 3.76Å; F517-Q523 HydrophobicContact CD1-CB 3.89Å; F517-Q523 HydrophobicContact CE1-CB 4.35Å; F517-L720 HydrophobicContact CD1-CD2 3.99Å; F517-L720 HydrophobicContact CD2-CD1 4.01Å; F517-L720 HydrophobicContact CD2-CD2 4.12Å; F517-L720 HydrophobicContact CE1-CD2 3.72Å; F517-L720 HydrophobicContact CE2-CB 4.08Å; F517-L720 HydrophobicContact CE2-CD1 4.14Å; F517-L720 HydrophobicContact CE2-CD2 3.86Å; F517-L720 HydrophobicContact CE2-CG 4.25Å; F517-L720 HydrophobicContact CG-CD2 4.19Å; F517-L720 HydrophobicContact CZ-CB 4.26Å; F517-L720 HydrophobicContact CZ-CD2 3.66Å; F517-L720 HydrophobicContact CZ-CG 4.43Å
518K94.2Very high96.3Very high117 Ų11740.2 Ų40.251%0.50920%0.199SC..SBendtrans-137.2146.9171.4-62.1-64.9178.9-166.60110.6D516 L520 S652D516-K518 PolarHBondContact O-N 3.35Å; K518-L520 HydrophobicContact CD-CD2 3.91Å; K518-L520 HydrophobicContact CD-CG 3.91Å; K518-S652 PolarHBondContact NZ-O 3.04Å
519P95.1Very high96.4Very high36 Ų3638.3 Ų38.323%0.23419%0.191CC..  cis-74.3153.6-2.331.8-36.4000112.9F517 E521 I522F517-P519 WeakPolarHBondContact CD1-O 3.26Å; F517-P519 VanDerWaalsContact CE1-O 3.3Å; F517-P519 WeakPolarHBondContact CE1-O 3.49Å; P519-E521 VanDerWaalsContact C-N 3.28Å; P519-E521 PolarHBondContact O-N 2.85Å; P519-I522 HydrophobicContact CG-CB 4.06Å; P519-I522 HydrophobicContact CG-CD1 3.45Å; P519-I522 VanDerWaalsContact CG-CD1 3.45Å; P519-I522 HydrophobicContact CG-CG1 3.67Å; P519-I522 PolarHBondContact O-N 3.12Å
520L96.4Very high96.5Very high20 Ų2038 Ų3811%0.10519%0.189CC..Hα-helixtrans-69.5-28.3-174.9-66.3-176.5000112.9F517 K518 I522 Q523 G524 S652 S655F517-L520 VanDerWaalsContact O-CD2 3.31Å; F517-L520 WeakPolarHBondContact O-CD2 3.29Å; K518-L520 HydrophobicContact CD-CD2 3.91Å; K518-L520 HydrophobicContact CD-CG 3.91Å; L520-I522 VanDerWaalsContact C-N 3.28Å; L520-I522 PolarHBondContact O-N 3.28Å; L520-Q523 WeakPolarHBondContact O-CB 3.39Å; L520-Q523 PolarHBondContact O-N 2.68Å; L520-Q523 VanDerWaalsContact O-N 3.15Å; L520-G524 PolarHBondContact O-N 3.45Å; L520-S652 WeakPolarHBondContact CD1-O 2.95Å; L520-S652 WeakPolarHBondContact CD2-O 3.06Å; L520-S655 PolarHBondContact O-N 3.08Å
521E97.1Very high96.5Very high58 Ų5833.4 Ų33.427%0.27117%0.165SC..Hα-helixtrans-65.6-33.2178.4-63.669.4-154.100111.6P519 G524 L525 S655 Y657P519-E521 VanDerWaalsContact C-N 3.28Å; P519-E521 PolarHBondContact O-N 2.85Å; E521-G524 PolarHBondContact O-N 2.96Å; E521-L525 WeakPolarHBondContact O-CB 3.47Å; E521-L525 PolarHBondContact O-N 2.6Å; E521-S655 WeakPolarHBondContact CA-O 3.47Å; E521-S655 WeakPolarHBondContact OE1-CB 3.46Å; E521-S655 PolarHBondContact OE1-OG 3.3Å; E521-Y657 HydrophobicContact CB-CD1 3.74Å; E521-Y657 HydrophobicContact CB-CD2 3.95Å; E521-Y657 HydrophobicContact CB-CE1 3.45Å; E521-Y657 VanDerWaalsContact CB-CE1 3.45Å; E521-Y657 HydrophobicContact CB-CE2 3.71Å; E521-Y657 HydrophobicContact CB-CG 3.98Å; E521-Y657 VanDerWaalsContact CB-CZ 3.45Å; E521-Y657 HydrophobicContact CG-CD1 3.93Å; E521-Y657 HydrophobicContact CG-CE1 3.9Å; E521-Y657 HydrophobicContact CG-CG 4.41Å
522I98.2Very high96.6Very high0 Ų033.3 Ų33.30%017%0.165CC..Hα-helixtrans-71.5-36.1173.8-70.6178.7000110.6F517 P519 L520 G524 L525 A526 D713 L717F517-I522 HydrophobicContact CE1-CB 3.93Å; F517-I522 HydrophobicContact CE1-CG2 3.76Å; F517-I522 HydrophobicContact CZ-CB 4.38Å; F517-I522 HydrophobicContact CZ-CG2 3.76Å; P519-I522 HydrophobicContact CG-CB 4.06Å; P519-I522 HydrophobicContact CG-CD1 3.45Å; P519-I522 VanDerWaalsContact CG-CD1 3.45Å; P519-I522 HydrophobicContact CG-CG1 3.67Å; P519-I522 PolarHBondContact O-N 3.12Å; L520-I522 VanDerWaalsContact C-N 3.28Å; L520-I522 PolarHBondContact O-N 3.28Å; I522-G524 VanDerWaalsContact C-N 3.35Å; I522-L525 PolarHBondContact O-N 2.89Å; I522-A526 WeakPolarHBondContact O-CB 3.4Å; I522-A526 PolarHBondContact O-N 3.05Å; I522-D713 HydrophobicContact CD1-CB 3.63Å; I522-L717 HydrophobicContact CG2-CB 3.87Å; I522-L717 HydrophobicContact CG2-CD1 3.98Å
523Q97.9Very high96.8Very high0 Ų029.6 Ų29.60%014%0.143CC..Hα-helixtrans-63.4-42.3171.3179.7139.5-99.700111.1L513 E514 F517 L520 L525 A526 V527 F653 L720L513-Q523 HydrophobicContact CD2-CG 4.35Å; E514-Q523 PolarHBondContact O-NE2 3.42Å; F517-Q523 HydrophobicContact CD1-CB 3.89Å; F517-Q523 HydrophobicContact CE1-CB 4.35Å; L520-Q523 WeakPolarHBondContact O-CB 3.39Å; L520-Q523 PolarHBondContact O-N 2.68Å; L520-Q523 VanDerWaalsContact O-N 3.15Å; Q523-L525 PolarHBondContact O-N 3.17Å; Q523-A526 PolarHBondContact O-N 3.47Å; Q523-V527 WeakPolarHBondContact O-CG2 3.48Å; Q523-V527 PolarHBondContact O-N 2.82Å; Q523-F653 PolarHBondContact NE2-O 3.02Å; Q523-L720 HydrophobicContact CB-CD2 4.03Å; Q523-L720 HydrophobicContact CG-CD2 4.37Å
524G98.2Very high96.8Very high0 Ų032.7 Ų32.70%016%0.155CC..Hα-helixtrans-59.1-45172.900000113.5L520 E521 I522 V527 L528 S655L520-G524 PolarHBondContact O-N 3.45Å; E521-G524 PolarHBondContact O-N 2.96Å; I522-G524 VanDerWaalsContact C-N 3.35Å; G524-V527 PolarHBondContact O-N 3.38Å; G524-L528 WeakPolarHBondContact O-CB 3.46Å; G524-L528 PolarHBondContact O-N 2.99Å; G524-S655 VanDerWaalsContact CA-O 3.29Å; G524-S655 WeakPolarHBondContact CA-O 3.42Å
525L98.6Very high96.9Very high3 Ų332.7 Ų32.72%0.01616%0.16CC..Hα-helixtrans-65.1-39.1177-178.356.3000112.3E521 I522 Q523 L528 L529 L555 A559 Y657 L662 L717E521-L525 WeakPolarHBondContact O-CB 3.47Å; E521-L525 PolarHBondContact O-N 2.6Å; I522-L525 PolarHBondContact O-N 2.89Å; Q523-L525 PolarHBondContact O-N 3.17Å; L525-L528 HydrophobicContact CD1-CD2 4.32Å; L525-L528 PolarHBondContact O-N 3.3Å; L525-L529 HydrophobicContact CD1-CD1 4.06Å; L525-L529 HydrophobicContact CD1-CG 4.23Å; L525-L529 HydrophobicContact CG-CD1 4.04Å; L525-L529 WeakPolarHBondContact O-CD1 3.32Å; L525-L529 VanDerWaalsContact O-CG 3.29Å; L525-L529 WeakPolarHBondContact O-CG 3.46Å; L525-L529 PolarHBondContact O-N 3.25Å; L525-L555 HydrophobicContact CD1-CD2 4.39Å; L525-A559 HydrophobicContact CD2-CB 4.26Å; L525-Y657 HydrophobicContact CD2-CE2 4.3Å; L525-L662 HydrophobicContact CD1-CD2 4.1Å; L525-L717 HydrophobicContact CB-CD1 4.13Å; L525-L717 HydrophobicContact CD2-CD1 4.25Å; L525-L717 HydrophobicContact CD2-CD2 3.65Å; L525-L717 HydrophobicContact CG-CD1 3.96Å; L525-L717 HydrophobicContact CG-CD2 4.05Å
526A98.7Very high97.2Very high0 Ų028.2 Ų28.20%014%0.141CC..Hα-helixtrans-61.6-49.6175.200000111.3I522 Q523 L528 L529 I530 L717 L720 I721 L724I522-A526 WeakPolarHBondContact O-CB 3.4Å; I522-A526 PolarHBondContact O-N 3.05Å; Q523-A526 PolarHBondContact O-N 3.47Å; A526-L528 VanDerWaalsContact C-N 3.35Å; A526-L528 PolarHBondContact O-N 3.18Å; A526-L529 PolarHBondContact O-N 3.27Å; A526-I530 WeakPolarHBondContact O-CD1 3.14Å; A526-I530 VanDerWaalsContact O-CG1 3.25Å; A526-I530 WeakPolarHBondContact O-CG1 3.37Å; A526-I530 PolarHBondContact O-N 3.2Å; A526-L717 HydrophobicContact CB-CD1 3.86Å; A526-L720 HydrophobicContact CB-CD2 3.78Å; A526-L720 HydrophobicContact CB-CG 4.08Å; A526-I721 HydrophobicContact CB-CG1 3.78Å; A526-L724 HydrophobicContact CB-CD1 4.2Å
527V98.5Very high97.4Very high0 Ų026 Ų260%012%0.124CC..Hα-helixtrans-59.1-45.6177.8168.30000111.3F505 L511 L513 Q523 G524 L529 I530 L531 L623 I654 L724F505-V527 HydrophobicContact CE1-CG1 4.17Å; L511-V527 HydrophobicContact CD1-CB 4.43Å; L511-V527 HydrophobicContact CD1-CG1 3.85Å; L511-V527 HydrophobicContact CD1-CG2 4.27Å; L513-V527 HydrophobicContact CD2-CG2 3.68Å; Q523-V527 WeakPolarHBondContact O-CG2 3.48Å; Q523-V527 PolarHBondContact O-N 2.82Å; G524-V527 PolarHBondContact O-N 3.38Å; V527-L529 PolarHBondContact O-N 2.9Å; V527-I530 PolarHBondContact O-N 3.32Å; V527-L531 HydrophobicContact CG1-CD1 3.78Å; V527-L531 HydrophobicContact CG1-CG 4.42Å; V527-L531 WeakPolarHBondContact O-CG 3.25Å; V527-L531 PolarHBondContact O-N 2.91Å; V527-L623 HydrophobicContact CG1-CD1 4.26Å; V527-L623 HydrophobicContact CG1-CD2 4.26Å; V527-I654 HydrophobicContact CB-CD1 4.04Å; V527-I654 HydrophobicContact CG1-CD1 4.2Å; V527-I654 HydrophobicContact CG2-CD1 3.88Å; V527-L724 HydrophobicContact CG2-CD1 4.45Å
528L98.7Very high97.5Very high1 Ų124.6 Ų24.61%0.00512%0.118CC..Hα-helixtrans-54.8-52175.6169.459.4000111.6G524 L525 A526 I530 L531 W532 L555 L616 M619 A620 L623 L662G524-L528 WeakPolarHBondContact O-CB 3.46Å; G524-L528 PolarHBondContact O-N 2.99Å; L525-L528 HydrophobicContact CD1-CD2 4.32Å; L525-L528 PolarHBondContact O-N 3.3Å; A526-L528 VanDerWaalsContact C-N 3.35Å; A526-L528 PolarHBondContact O-N 3.18Å; L528-I530 PolarHBondContact O-N 3.11Å; L528-L531 PolarHBondContact O-N 2.92Å; L528-W532 VanDerWaalsContact O-CB 3.28Å; L528-W532 WeakPolarHBondContact O-CB 3.37Å; L528-W532 PolarHBondContact O-N 3.45Å; L528-L555 HydrophobicContact CD2-CD2 4.37Å; L528-L616 HydrophobicContact CD1-CD2 4.28Å; L528-L616 HydrophobicContact CG-CD2 4.2Å; L528-M619 HydrophobicContact CD1-CB 3.77Å; L528-M619 HydrophobicContact CD1-CG 3.64Å; L528-A620 HydrophobicContact CD1-CB 3.95Å; L528-A620 HydrophobicContact CD2-CB 3.93Å; L528-L623 HydrophobicContact CB-CD1 4.05Å; L528-L623 HydrophobicContact CD1-CD1 4.13Å; L528-L662 HydrophobicContact CD2-CD1 4.38Å
529L98.8Very high97.6Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-64.7-38.8-177.6-71.9164.9000112.2L525 A526 V527 W532 F533 I546 L555 S556 L616 L717 I721L525-L529 HydrophobicContact CD1-CD1 4.06Å; L525-L529 HydrophobicContact CD1-CG 4.23Å; L525-L529 HydrophobicContact CG-CD1 4.04Å; L525-L529 WeakPolarHBondContact O-CD1 3.32Å; L525-L529 VanDerWaalsContact O-CG 3.29Å; L525-L529 WeakPolarHBondContact O-CG 3.46Å; L525-L529 PolarHBondContact O-N 3.25Å; A526-L529 PolarHBondContact O-N 3.27Å; V527-L529 PolarHBondContact O-N 2.9Å; L529-W532 HydrophobicContact CD2-CE3 4.3Å; L529-W532 HydrophobicContact CD2-CZ3 4.44Å; L529-F533 VanDerWaalsContact O-CB 3.24Å; L529-F533 WeakPolarHBondContact O-CB 3.5Å; L529-F533 PolarHBondContact O-N 3.5Å; L529-I546 HydrophobicContact CB-CD1 4.27Å; L529-I546 HydrophobicContact CB-CG2 4.09Å; L529-I546 HydrophobicContact CD1-CG2 4.43Å; L529-I546 HydrophobicContact CD2-CG2 4.4Å; L529-L555 HydrophobicContact CD2-CD2 4.2Å; L529-S556 VanDerWaalsContact CD1-OG 3.24Å; L529-S556 WeakPolarHBondContact CD1-OG 3.29Å; L529-L616 HydrophobicContact CD2-CD2 4.22Å; L529-L717 HydrophobicContact CD1-CD1 4.43Å; L529-L717 HydrophobicContact CD1-CD2 4.23Å; L529-I721 HydrophobicContact CB-CD1 4.31Å; L529-I721 HydrophobicContact CD1-CD1 3.8Å
530I98.6Very high97.7Very high1 Ų121.9 Ų21.91%0.00510%0.104CC..Hα-helixtrans-65.4-50.3178.2-65.7163.3000111.1L511 A526 V527 L528 W532 F533 R534 I546 I721 L724 N725L511-I530 HydrophobicContact CD2-CB 4.43Å; L511-I530 HydrophobicContact CD2-CD1 4.06Å; L511-I530 HydrophobicContact CD2-CG2 3.85Å; A526-I530 WeakPolarHBondContact O-CD1 3.14Å; A526-I530 VanDerWaalsContact O-CG1 3.25Å; A526-I530 WeakPolarHBondContact O-CG1 3.37Å; A526-I530 PolarHBondContact O-N 3.2Å; V527-I530 PolarHBondContact O-N 3.32Å; L528-I530 PolarHBondContact O-N 3.11Å; I530-W532 PolarHBondContact O-N 3.35Å; I530-F533 PolarHBondContact O-N 3.26Å; I530-R534 HydrophobicContact CG2-CG 4.27Å; I530-R534 VanDerWaalsContact CG2-NE 3.31Å; I530-R534 WeakPolarHBondContact O-CB 3.02Å; I530-R534 VanDerWaalsContact O-CG 3.27Å; I530-R534 WeakPolarHBondContact O-CG 3.38Å; I530-R534 PolarHBondContact O-N 3.13Å; I530-I546 HydrophobicContact CB-CD1 4.42Å; I530-I546 HydrophobicContact CG1-CD1 3.9Å; I530-I721 HydrophobicContact CD1-CG2 4.49Å; I530-I721 HydrophobicContact CG1-CG1 4.47Å; I530-I721 HydrophobicContact CG1-CG2 4.12Å; I530-L724 HydrophobicContact CD1-CB 3.55Å; I530-L724 HydrophobicContact CD1-CD1 4.17Å; I530-N725 HydrophobicContact CD1-CB 4.28Å; I530-N725 HydrophobicContact CG1-CB 4.27Å; I530-N725 HydrophobicContact CG2-CB 4.42Å
531L98.2Very high97.7Very high14 Ų1429 Ų297%0.07313%0.131CC..Hα-helixtrans-66.8-38.4-178.1-66.5174.9000112.3M439 L509 L511 V527 L528 S535 M619 L623M439-L531 HydrophobicContact CE-CD1 4.29Å; L509-L531 HydrophobicContact CB-CD2 4.32Å; L509-L531 HydrophobicContact CD1-CD1 4.2Å; L511-L531 HydrophobicContact CD1-CD1 4.13Å; L511-L531 HydrophobicContact CD1-CD2 3.79Å; L511-L531 HydrophobicContact CD1-CG 3.85Å; V527-L531 HydrophobicContact CG1-CD1 3.78Å; V527-L531 HydrophobicContact CG1-CG 4.42Å; V527-L531 WeakPolarHBondContact O-CG 3.25Å; V527-L531 PolarHBondContact O-N 2.91Å; L528-L531 PolarHBondContact O-N 2.92Å; L531-S535 WeakPolarHBondContact O-CB 3.22Å; L531-S535 PolarHBondContact O-N 2.88Å; L531-S535 PolarHBondContact O-OG 3.42Å; L531-M619 HydrophobicContact CB-CE 4.2Å; L531-M619 HydrophobicContact CB-CG 4.37Å; L531-M619 HydrophobicContact CB-SD 4.01Å; L531-L623 HydrophobicContact CD1-CD1 4.22Å; L531-L623 HydrophobicContact CD1-CD2 3.7Å; L531-L623 HydrophobicContact CD1-CG 4.42Å
532W98.5Very high97.6Very high0 Ų029 Ų290%013%0.129CC..Hα-helixtrans-60.4-53.6171.6164.767.7000111.4F435 L528 L529 I530 R534 S535 S536 A539 S549 V551 Q612 E615 L616F435-W532 AromaticContact CE2-CD1 3.82Å; F435-W532 HydrophobicContact CZ-CB 4.39Å; F435-W532 AromaticContact CZ-CD1 3.71Å; F435-W532 HydrophobicContact CZ-CG 4.46Å; L528-W532 VanDerWaalsContact O-CB 3.28Å; L528-W532 WeakPolarHBondContact O-CB 3.37Å; L528-W532 PolarHBondContact O-N 3.45Å; L529-W532 HydrophobicContact CD2-CE3 4.3Å; L529-W532 HydrophobicContact CD2-CZ3 4.44Å; I530-W532 PolarHBondContact O-N 3.35Å; W532-R534 VanDerWaalsContact C-N 3.32Å; W532-R534 PolarHBondContact O-N 2.88Å; W532-S535 PolarHBondContact O-N 3.48Å; W532-S536 VanDerWaalsContact O-CB 3.3Å; W532-S536 WeakPolarHBondContact O-CB 3.37Å; W532-S536 PolarHBondContact O-N 3.09Å; W532-A539 HydrophobicContact CH2-CB 3.68Å; W532-A539 HydrophobicContact CZ2-CB 3.44Å; W532-A539 VanDerWaalsContact CZ2-CB 3.44Å; W532-A539 HydrophobicContact CZ3-CB 4.33Å; W532-S549 WeakPolarHBondContact CH2-OG 3.26Å; W532-V551 HydrophobicContact CH2-CB 4.14Å; W532-V551 HydrophobicContact CH2-CG1 4.28Å; W532-V551 HydrophobicContact CZ2-CB 4.39Å; W532-V551 HydrophobicContact CZ2-CG1 4.26Å; W532-Q612 HydrophobicContact CZ2-CB 3.93Å; W532-Q612 HydrophobicContact CZ2-CG 4.01Å; W532-E615 PolarHBondContact NE1-OE2 3.5Å; W532-L616 HydrophobicContact CB-CD2 3.66Å; W532-L616 HydrophobicContact CB-CG 4.34Å; W532-L616 HydrophobicContact CD2-CD1 4.06Å; W532-L616 HydrophobicContact CD2-CD2 3.5Å; W532-L616 VanDerWaalsContact CD2-CD2 3.5Å; W532-L616 HydrophobicContact CD2-CG 3.64Å; W532-L616 HydrophobicContact CE3-CD1 4.36Å; W532-L616 HydrophobicContact CE3-CD2 3.79Å; W532-L616 HydrophobicContact CE3-CG 4.25Å; W532-L616 HydrophobicContact CG-CD2 3.43Å; W532-L616 VanDerWaalsContact CG-CD2 3.43Å; W532-L616 HydrophobicContact CG-CG 3.65Å; W532-L616 HydrophobicContact CH2-CD1 4.32Å; W532-L616 HydrophobicContact CZ2-CD1 4.05Å; W532-L616 HydrophobicContact CZ2-CG 4.4Å; W532-L616 HydrophobicContact CZ3-CD1 4.48Å
533F98.3Very high97.5Very high20 Ų2029.5 Ų29.59%0.08813%0.134CC..Hα-helixtrans-65.4-34.3-175.8-169.9-90.2000112.8L529 I530 S535 A539 Q540 A543 N545 I546L529-F533 VanDerWaalsContact O-CB 3.24Å; L529-F533 WeakPolarHBondContact O-CB 3.5Å; L529-F533 PolarHBondContact O-N 3.5Å; I530-F533 PolarHBondContact O-N 3.26Å; F533-S535 PolarHBondContact O-N 3.38Å; F533-A539 HydrophobicContact CD2-CB 3.82Å; F533-A539 HydrophobicContact CE2-CB 4.1Å; F533-Q540 HydrophobicContact CD1-CG 4.46Å; F533-Q540 HydrophobicContact CE1-CG 4.1Å; F533-Q540 HydrophobicContact CZ-CG 4.24Å; F533-Q540 WeakPolarHBondContact O-CG 3.34Å; F533-Q540 PolarHBondContact O-NE2 2.99Å; F533-A543 HydrophobicContact CE2-CB 4.32Å; F533-A543 WeakPolarHBondContact CZ-O 3.4Å; F533-N545 VanDerWaalsContact CZ-CA 3.44Å; F533-I546 HydrophobicContact CB-CD1 3.94Å; F533-I546 HydrophobicContact CB-CG1 3.52Å; F533-I546 HydrophobicContact CD1-CG1 4.09Å; F533-I546 HydrophobicContact CD2-CG1 3.88Å; F533-I546 HydrophobicContact CG-CD1 4.37Å; F533-I546 HydrophobicContact CG-CG1 3.55Å
534R96.7Very high97.4Very high74 Ų7438.6 Ų38.628%0.27917%0.174SC..Hα-helixtrans-64.3-25.4174.6-75.2175.5178.2-179.7-3.1113L509 N510 I530 W532 Q540 N725L509-R534 PolarHBondContact O-NH1 3.39Å; N510-R534 PolarHBondContact O-NH1 2.87Å; I530-R534 HydrophobicContact CG2-CG 4.27Å; I530-R534 VanDerWaalsContact CG2-NE 3.31Å; I530-R534 WeakPolarHBondContact O-CB 3.02Å; I530-R534 VanDerWaalsContact O-CG 3.27Å; I530-R534 WeakPolarHBondContact O-CG 3.38Å; I530-R534 PolarHBondContact O-N 3.13Å; W532-R534 VanDerWaalsContact C-N 3.32Å; W532-R534 PolarHBondContact O-N 2.88Å; R534-Q540 PolarHBondContact O-NE2 3.29Å; R534-Q540 VanDerWaalsContact O-NE2 3.09Å; R534-N725 PolarHBondContact NE-OD1 3.05Å; R534-N725 VanDerWaalsContact NE-OD1 3.1Å; R534-N725 PolarHBondContact NH2-O 3.14Å; R534-N725 PolarHBondContact NH2-OD1 3.39Å
535S96.4Very high97.4Very high51 Ų5141.5 Ų41.536%0.35719%0.189SC..Hα-helixtrans-109.2-22-172.6-44.70000113.5L531 W532 F533 F537L531-S535 WeakPolarHBondContact O-CB 3.22Å; L531-S535 PolarHBondContact O-N 2.88Å; L531-S535 PolarHBondContact O-OG 3.42Å; W532-S535 PolarHBondContact O-N 3.48Å; F533-S535 PolarHBondContact O-N 3.38Å; S535-F537 PolarHBondContact O-N 3.05Å
536S97.5Very high97.3Very high0 Ų041.6 Ų41.60%019%0.189CC..  trans-84.6114.1-175.6176.20000112.3W532 A539 Q540 E615W532-S536 VanDerWaalsContact O-CB 3.3Å; W532-S536 WeakPolarHBondContact O-CB 3.37Å; W532-S536 PolarHBondContact O-N 3.09Å; S536-A539 PolarHBondContact O-N 3.5Å; S536-A539 WeakPolarHBondContact OG-CB 3.47Å; S536-A539 PolarHBondContact OG-N 3.26Å; S536-Q540 WeakPolarHBondContact O-CG 3.46Å; S536-Q540 PolarHBondContact O-N 3.46Å; S536-E615 WeakPolarHBondContact CB-OE2 3.41Å; S536-E615 VanDerWaalsContact OG-CD 3.27Å; S536-E615 PolarHBondContact OG-OE1 3.44Å; S536-E615 PolarHBondContact OG-OE2 2.98Å
537F95.9Very high97.2Very high110 Ų11045.3 Ų45.348%0.48220%0.203SC..Hα-helixtrans-60.8-44.9172.2175.3-97000111.6N430 S535 A539 Q540 Y541N430-F537 HydrophobicContact CB-CB 4.43Å; S535-F537 PolarHBondContact O-N 3.05Å; F537-A539 PolarHBondContact O-N 3.13Å; F537-Q540 PolarHBondContact O-N 3.41Å; F537-Y541 WeakPolarHBondContact O-CB 3.41Å; F537-Y541 PolarHBondContact O-N 3.15Å
538H96.6Very high97.2Very high12 Ų1246.1 Ų46.16%0.05621%0.209CC..Hα-helixtrans-63.6-41.6-178.6-67.6-75000111.4D425 S428 Y541 K542 H611 Q612D425-H538 IonicContact OD2-CE1 2.56Å; D425-H538 PolarHBondContact OD2-CE1 2.85Å; S428-H538 PolarHBondContact OG-NE2 2.78Å; H538-Y541 PolarHBondContact O-N 3.49Å; H538-K542 VanDerWaalsContact O-CG 3.26Å; H538-K542 WeakPolarHBondContact O-CG 3.2Å; H538-K542 PolarHBondContact O-N 2.75Å; H538-K542 VanDerWaalsContact O-N 3.13Å; H538-H611 AromaticContact CD2-CD2 3.46Å; H538-H611 PolarHBondContact CD2-CD2 3.3Å; H538-H611 VanDerWaalsContact CD2-CD2 3.46Å; H538-H611 AromaticContact CD2-CG 3.84Å; H538-H611 AromaticContact CD2-NE2 3.65Å; H538-H611 AromaticContact NE2-CD2 3.98Å; H538-H611 AromaticContact NE2-CE1 3.91Å; H538-H611 AromaticContact NE2-CG 3.97Å; H538-H611 AromaticContact NE2-ND1 3.9Å; H538-H611 AromaticContact NE2-NE2 3.97Å; H538-Q612 HydrophobicContact CB-CG 3.67Å
539A97.4Very high97.1Very high0 Ų046.1 Ų46.10%021%0.208CC..Hα-helixtrans-64.5-45.6178.700000112.4W532 F533 S536 F537 Y541 K542 A543W532-A539 HydrophobicContact CH2-CB 3.68Å; W532-A539 HydrophobicContact CZ2-CB 3.44Å; W532-A539 VanDerWaalsContact CZ2-CB 3.44Å; W532-A539 HydrophobicContact CZ3-CB 4.33Å; F533-A539 HydrophobicContact CD2-CB 3.82Å; F533-A539 HydrophobicContact CE2-CB 4.1Å; S536-A539 PolarHBondContact O-N 3.5Å; S536-A539 WeakPolarHBondContact OG-CB 3.47Å; S536-A539 PolarHBondContact OG-N 3.26Å; F537-A539 PolarHBondContact O-N 3.13Å; A539-Y541 VanDerWaalsContact C-N 3.31Å; A539-Y541 PolarHBondContact O-N 2.95Å; A539-K542 PolarHBondContact O-N 3.46Å; A539-A543 PolarHBondContact O-N 2.78Å
540Q96.9Very high97.1Very high95 Ų9546.1 Ų46.144%0.44421%0.209SC..Hα-helixtrans-67.4-32.3179.2-69.2176.81.300112.5F533 R534 S536 F537F533-Q540 HydrophobicContact CD1-CG 4.46Å; F533-Q540 HydrophobicContact CE1-CG 4.1Å; F533-Q540 HydrophobicContact CZ-CG 4.24Å; F533-Q540 WeakPolarHBondContact O-CG 3.34Å; F533-Q540 PolarHBondContact O-NE2 2.99Å; R534-Q540 PolarHBondContact O-NE2 3.29Å; R534-Q540 VanDerWaalsContact O-NE2 3.09Å; S536-Q540 WeakPolarHBondContact O-CG 3.46Å; S536-Q540 PolarHBondContact O-N 3.46Å; F537-Q540 PolarHBondContact O-N 3.41Å
541Y95.6Very high97.1Very high171 Ų17146.3 Ų46.367%0.67121%0.21SC*.Hα-helixtrans-68.3-35.9174.1-177-100.9000112.3F537 H538 A539F537-Y541 WeakPolarHBondContact O-CB 3.41Å; F537-Y541 PolarHBondContact O-N 3.15Å; H538-Y541 PolarHBondContact O-N 3.49Å; A539-Y541 VanDerWaalsContact C-N 3.31Å; A539-Y541 PolarHBondContact O-N 2.95Å
542K95.3Very high97.1Very high56 Ų5645.6 Ų45.624%0.24321%0.206CC..Hα-helixtrans-88.1-17.9-175.7-65-63.8-172.7-178.90114.4H538 A539 R684H538-K542 VanDerWaalsContact O-CG 3.26Å; H538-K542 WeakPolarHBondContact O-CG 3.2Å; H538-K542 PolarHBondContact O-N 2.75Å; H538-K542 VanDerWaalsContact O-N 3.13Å; A539-K542 PolarHBondContact O-N 3.46Å; K542-R684 PolarHBondContact O-NH1 3.15Å
543A97.2Very high97.1Very high11 Ų1145.6 Ų45.69%0.09121%0.206CC..  trans-152.6150.2-175.900000112.8F533 A539 S549F533-A543 HydrophobicContact CE2-CB 4.32Å; F533-A543 WeakPolarHBondContact CZ-O 3.4Å; A539-A543 PolarHBondContact O-N 2.78Å; A543-S549 VanDerWaalsContact CB-CA 3.44Å
544K95.7Very high97.1Very high192 Ų19244.7 Ų44.784%0.83520%0.202SC*.SBendtrans-73.5-30.6178-175.7177.7178.4-178.90112.4T548K544-T548 PolarHBondContact N-OG1 3.48Å
545N96.6Very high97.2Very high60 Ų6041.1 Ų41.132%0.32119%0.189SC..SBendtrans-158173.6-178.756.836.7000110F533 R547 T548 S549F533-N545 VanDerWaalsContact CZ-CA 3.44Å; N545-R547 VanDerWaalsContact C-N 3.28Å; N545-R547 PolarHBondContact O-N 2.67Å; N545-R547 PolarHBondContact OD1-N 3.31Å; N545-T548 PolarHBondContact N-OG1 3.13Å; N545-T548 PolarHBondContact O-N 3.38Å; N545-T548 VanDerWaalsContact O-N 3.08Å; N545-T548 PolarHBondContact O-OG1 3.26Å; N545-T548 WeakPolarHBondContact OD1-CG2 3.03Å; N545-T548 PolarHBondContact OD1-N 2.93Å; N545-T548 PolarHBondContact OD1-OG1 2.93Å; N545-S549 PolarHBondContact O-N 3.01Å; N545-S549 VanDerWaalsContact O-N 3.09Å
546I97.5Very high97.3Very high5 Ų538.7 Ų38.73%0.02617%0.172CC..G310 helixtrans-61.7-36.5-177.9-57.6159.7000111.6L529 I530 F533 T548 S549 F718 I721L529-I546 HydrophobicContact CB-CD1 4.27Å; L529-I546 HydrophobicContact CB-CG2 4.09Å; L529-I546 HydrophobicContact CD1-CG2 4.43Å; L529-I546 HydrophobicContact CD2-CG2 4.4Å; I530-I546 HydrophobicContact CB-CD1 4.42Å; I530-I546 HydrophobicContact CG1-CD1 3.9Å; F533-I546 HydrophobicContact CB-CD1 3.94Å; F533-I546 HydrophobicContact CB-CG1 3.52Å; F533-I546 HydrophobicContact CD1-CG1 4.09Å; F533-I546 HydrophobicContact CD2-CG1 3.88Å; F533-I546 HydrophobicContact CG-CD1 4.37Å; F533-I546 HydrophobicContact CG-CG1 3.55Å; I546-T548 PolarHBondContact O-N 2.96Å; I546-T548 VanDerWaalsContact O-N 3.17Å; I546-S549 WeakPolarHBondContact O-CB 3.38Å; I546-S549 PolarHBondContact O-N 3.46Å; I546-F718 HydrophobicContact CG2-CE1 3.97Å; I546-I721 HydrophobicContact CB-CG2 4.39Å; I546-I721 HydrophobicContact CD1-CG2 3.69Å; I546-I721 HydrophobicContact CG2-CD1 4.2Å
547R96.7Very high97.4Very high78 Ų7838.7 Ų38.729%0.29417%0.172SC..G310 helixtrans-62-22.2177.8-174.3173.8-73.8-175.9-4.1113.4N545 L553 F685 F718 D722N545-R547 VanDerWaalsContact C-N 3.28Å; N545-R547 PolarHBondContact O-N 2.67Å; N545-R547 PolarHBondContact OD1-N 3.31Å; R547-L553 WeakPolarHBondContact O-CD1 3.45Å; R547-F685 HydrophobicContact CG-CB 4.1Å; R547-F685 HydrophobicContact CG-CD2 3.66Å; R547-F685 HydrophobicContact CG-CE2 4.37Å; R547-F685 HydrophobicContact CG-CG 4.04Å; R547-F718 HydrophobicContact CB-CD1 4.03Å; R547-F718 HydrophobicContact CB-CE1 4.23Å; R547-F718 HydrophobicContact CG-CD1 4.34Å; R547-D722 IonicContact CZ-OD2 3.26Å; R547-D722 IonicContact NE-OD2 2.67Å; R547-D722 IonicContact NH1-OD2 2.97Å; R547-D722 PolarHBondContact NH1-OD2 3.1Å; R547-D722 IonicContact NH2-OD2 2.76Å; R547-D722 PolarHBondContact NH2-OD2 3.23Å
548T97.3Very high97.5Very high18 Ų1833.8 Ų33.811%0.1115%0.151CC..G310 helixtrans-108.1-1176.656.30000112.8K544 N545 I546 P550 P681 R684K544-T548 PolarHBondContact N-OG1 3.48Å; N545-T548 PolarHBondContact N-OG1 3.13Å; N545-T548 PolarHBondContact O-N 3.38Å; N545-T548 VanDerWaalsContact O-N 3.08Å; N545-T548 PolarHBondContact O-OG1 3.26Å; N545-T548 WeakPolarHBondContact OD1-CG2 3.03Å; N545-T548 PolarHBondContact OD1-N 2.93Å; N545-T548 PolarHBondContact OD1-OG1 2.93Å; I546-T548 PolarHBondContact O-N 2.96Å; I546-T548 VanDerWaalsContact O-N 3.17Å; T548-P550 WeakPolarHBondContact O-CD 3.27Å; T548-P681 HydrophobicContact CG2-CB 4.31Å; T548-P681 WeakPolarHBondContact CG2-O 3.36Å; T548-R684 VanDerWaalsContact O-CD 3.29Å; T548-R684 WeakPolarHBondContact O-CD 3.22Å; T548-R684 PolarHBondContact O-NH1 3.11Å
549S98.1Very high97.6Very high0 Ų033.2 Ų33.20%015%0.148CC..  trans-75.3118.7-179.5178.90000111.5W532 A543 N545 I546 V551 G552 L553W532-S549 WeakPolarHBondContact CH2-OG 3.26Å; A543-S549 VanDerWaalsContact CB-CA 3.44Å; N545-S549 PolarHBondContact O-N 3.01Å; N545-S549 VanDerWaalsContact O-N 3.09Å; I546-S549 WeakPolarHBondContact O-CB 3.38Å; I546-S549 PolarHBondContact O-N 3.46Å; S549-V551 PolarHBondContact O-N 3.4Å; S549-G552 PolarHBondContact O-N 3.15Å; S549-G552 PolarHBondContact OG-N 3.39Å; S549-L553 VanDerWaalsContact O-CB 3.26Å; S549-L553 WeakPolarHBondContact O-CB 3.42Å; S549-L553 WeakPolarHBondContact O-CG 3.29Å; S549-L553 PolarHBondContact O-N 3.44Å
550P98.3Very high97.6Very high1 Ų133.3 Ų33.31%0.00615%0.149CC..Hα-helixtrans-59.3-46.4178.6-28.740.2000113T548 A554 G673 L676 Q677T548-P550 WeakPolarHBondContact O-CD 3.27Å; P550-A554 VanDerWaalsContact O-CB 3.29Å; P550-A554 WeakPolarHBondContact O-CB 3.41Å; P550-A554 PolarHBondContact O-N 3.03Å; P550-G673 WeakPolarHBondContact CB-O 3.27Å; P550-L676 HydrophobicContact CB-CB 3.83Å; P550-L676 HydrophobicContact CG-CB 4.48Å; P550-Q677 HydrophobicContact CB-CB 4.33Å; P550-Q677 HydrophobicContact CG-CB 4.18Å
551V98.4Very high97.7Very high4 Ų428.9 Ų28.92%0.02413%0.128CC..Hα-helixtrans-71-42179.91760000111.1W532 S549 L553 A554 L555 D609 Q612 L613 L616W532-V551 HydrophobicContact CH2-CB 4.14Å; W532-V551 HydrophobicContact CH2-CG1 4.28Å; W532-V551 HydrophobicContact CZ2-CB 4.39Å; W532-V551 HydrophobicContact CZ2-CG1 4.26Å; S549-V551 PolarHBondContact O-N 3.4Å; V551-L553 PolarHBondContact O-N 2.96Å; V551-A554 PolarHBondContact O-N 2.85Å; V551-L555 PolarHBondContact O-N 3.35Å; V551-D609 HydrophobicContact CG2-CB 4.49Å; V551-Q612 HydrophobicContact CB-CB 4.34Å; V551-Q612 HydrophobicContact CG1-CB 4.02Å; V551-Q612 HydrophobicContact CG2-CB 4.13Å; V551-L613 HydrophobicContact CG1-CD2 3.66Å; V551-L613 HydrophobicContact CG1-CG 4.22Å; V551-L616 HydrophobicContact CG1-CD1 3.7Å
552G98.4Very high97.7Very high0 Ų020.8 Ų20.80%010%0.096CC..Hα-helixtrans-60.7-46.6177.100000112.1S549 L555 S556S549-G552 PolarHBondContact O-N 3.15Å; S549-G552 PolarHBondContact OG-N 3.39Å; G552-L555 PolarHBondContact O-N 3Å; G552-S556 WeakPolarHBondContact O-CB 3.43Å; G552-S556 PolarHBondContact O-N 3.3Å; G552-S556 PolarHBondContact O-OG 3.47Å
553L98.7Very high97.8Very high0 Ų020.8 Ų20.80%010%0.097CC..Hα-helixtrans-63.9-41175.8-73.7170.1000112.8R547 S549 V551 S556 C557 L676 R684 F685 V688 F714 F718R547-L553 WeakPolarHBondContact O-CD1 3.45Å; S549-L553 VanDerWaalsContact O-CB 3.26Å; S549-L553 WeakPolarHBondContact O-CB 3.42Å; S549-L553 WeakPolarHBondContact O-CG 3.29Å; S549-L553 PolarHBondContact O-N 3.44Å; V551-L553 PolarHBondContact O-N 2.96Å; L553-S556 PolarHBondContact O-N 2.87Å; L553-C557 WeakPolarHBondContact O-CB 3.35Å; L553-C557 PolarHBondContact O-N 2.97Å; L553-C557 PolarHBondContact O-SG 3.37Å; L553-L676 HydrophobicContact CB-CD1 3.82Å; L553-L676 HydrophobicContact CD1-CD1 4.39Å; L553-R684 HydrophobicContact CD1-CB 3.57Å; L553-F685 HydrophobicContact CD2-CD2 3.95Å; L553-V688 HydrophobicContact CB-CG2 4.13Å; L553-V688 HydrophobicContact CD1-CG2 4.43Å; L553-F714 HydrophobicContact CD2-CZ 3.94Å; L553-F718 HydrophobicContact CD2-CE1 4.07Å; L553-F718 HydrophobicContact CD2-CE2 4.09Å; L553-F718 HydrophobicContact CD2-CZ 3.52Å; L553-F718 HydrophobicContact CG-CZ 4.43Å
554A98.6Very high97.7Very high0 Ų020.4 Ų20.40%09%0.094CC..Hα-helixtrans-61.1-48.3177.100000111.3P550 V551 C557 C558 L669 I672P550-A554 VanDerWaalsContact O-CB 3.29Å; P550-A554 WeakPolarHBondContact O-CB 3.41Å; P550-A554 PolarHBondContact O-N 3.03Å; V551-A554 PolarHBondContact O-N 2.85Å; A554-C557 PolarHBondContact O-N 2.62Å; A554-C557 PolarHBondContact O-SG 2.78Å; A554-C558 WeakPolarHBondContact O-CB 3.4Å; A554-C558 PolarHBondContact O-N 3.02Å; A554-C558 PolarHBondContact O-SG 3.2Å; A554-C558 VanDerWaalsContact O-SG 3.39Å; A554-L669 HydrophobicContact CB-CD2 4.5Å; A554-I672 HydrophobicContact CB-CB 4.03Å; A554-I672 HydrophobicContact CB-CG2 3.68Å
555L98.7Very high97.7Very high0 Ų011.3 Ų11.30%05%0.054CC..Hα-helixtrans-58.1-51.9175.718065.3000111.3L525 L528 L529 V551 G552 C557 C558 A559 L616 L662 F663 L669L525-L555 HydrophobicContact CD1-CD2 4.39Å; L528-L555 HydrophobicContact CD2-CD2 4.37Å; L529-L555 HydrophobicContact CD2-CD2 4.2Å; V551-L555 PolarHBondContact O-N 3.35Å; G552-L555 PolarHBondContact O-N 3Å; L555-C557 VanDerWaalsContact C-N 3.33Å; L555-C557 PolarHBondContact O-N 3.48Å; L555-C558 PolarHBondContact O-N 3.32Å; L555-A559 WeakPolarHBondContact O-CB 3.46Å; L555-A559 PolarHBondContact O-N 3.3Å; L555-L616 HydrophobicContact CD2-CB 4.41Å; L555-L616 HydrophobicContact CD2-CD1 3.91Å; L555-L616 HydrophobicContact CD2-CD2 3.79Å; L555-L616 HydrophobicContact CD2-CG 4.25Å; L555-L662 WeakPolarHBondContact CD1-O 3.48Å; L555-F663 HydrophobicContact CD1-CD1 3.95Å; L555-F663 HydrophobicContact CD1-CE1 3.77Å; L555-F663 HydrophobicContact CD1-CZ 4.49Å; L555-F663 HydrophobicContact CD2-CE1 4.23Å; L555-L669 HydrophobicContact CB-CD2 4.34Å; L555-L669 HydrophobicContact CD1-CD1 4.28Å; L555-L669 HydrophobicContact CD1-CD2 4.26Å
556S98.6Very high97.5Very high0 Ų010 Ų100%05%0.05CC..Hα-helixtrans-55.8-47.1-179.3-63.70000112.4L529 G552 L553 I560 L717L529-S556 VanDerWaalsContact CD1-OG 3.24Å; L529-S556 WeakPolarHBondContact CD1-OG 3.29Å; G552-S556 WeakPolarHBondContact O-CB 3.43Å; G552-S556 PolarHBondContact O-N 3.3Å; G552-S556 PolarHBondContact O-OG 3.47Å; L553-S556 PolarHBondContact O-N 2.87Å; S556-I560 WeakPolarHBondContact O-CB 3.47Å; S556-I560 WeakPolarHBondContact O-CG1 3.39Å; S556-I560 PolarHBondContact O-N 2.91Å; S556-L717 WeakPolarHBondContact OG-CD2 3.32Å
557C98.3Very high97.2Very high0 Ų013.1 Ų13.10%06%0.064CC..Hα-helixtrans-70.6-37.8-177.378.10000112.4L553 A554 L555 A561 V688 L696 F714L553-C557 WeakPolarHBondContact O-CB 3.35Å; L553-C557 PolarHBondContact O-N 2.97Å; L553-C557 PolarHBondContact O-SG 3.37Å; A554-C557 PolarHBondContact O-N 2.62Å; A554-C557 PolarHBondContact O-SG 2.78Å; L555-C557 VanDerWaalsContact C-N 3.33Å; L555-C557 PolarHBondContact O-N 3.48Å; C557-A561 WeakPolarHBondContact O-CB 3.46Å; C557-A561 PolarHBondContact O-N 3.45Å; C557-V688 HydrophobicContact CB-CG1 3.38Å; C557-L696 HydrophobicContact CB-CD1 4.36Å; C557-F714 HydrophobicContact CB-CD2 4.4Å; C557-F714 HydrophobicContact CB-CE2 3.85Å
558C98.5Very high97Very high7 Ų79.4 Ų9.45%0.0475%0.05CC..Hα-helixtrans-70-46.2178.9-74.50000111.2A554 L555 I560 A561 V562 L669A554-C558 WeakPolarHBondContact O-CB 3.4Å; A554-C558 PolarHBondContact O-N 3.02Å; A554-C558 PolarHBondContact O-SG 3.2Å; A554-C558 VanDerWaalsContact O-SG 3.39Å; L555-C558 PolarHBondContact O-N 3.32Å; C558-I560 PolarHBondContact O-N 3.09Å; C558-A561 PolarHBondContact O-N 3.22Å; C558-V562 WeakPolarHBondContact O-CB 3.44Å; C558-V562 VanDerWaalsContact O-CG2 3.26Å; C558-V562 WeakPolarHBondContact O-CG2 3.34Å; C558-V562 PolarHBondContact O-N 2.85Å; C558-L669 HydrophobicContact CB-CD2 3.61Å
559A98.3Very high96.6Very high0 Ų09.2 Ų9.20%05%0.048CC..Hα-helixtrans-57.8-49.8178.200000111.6L525 L555 A561 V562 H563 L662L525-A559 HydrophobicContact CD2-CB 4.26Å; L555-A559 WeakPolarHBondContact O-CB 3.46Å; L555-A559 PolarHBondContact O-N 3.3Å; A559-A561 PolarHBondContact O-N 3.42Å; A559-V562 PolarHBondContact O-N 3.45Å; A559-H563 WeakPolarHBondContact O-CB 3.35Å; A559-H563 PolarHBondContact O-N 2.82Å; A559-L662 HydrophobicContact CB-CD2 3.81Å
560I98.4Very high95.9Very high2 Ų211 Ų111%0.017%0.066CC..Hα-helixtrans-64.1-42.1178.9-71.3168.9000111.3S556 C558 S564 L693 A710 D713 F714 L717S556-I560 WeakPolarHBondContact O-CB 3.47Å; S556-I560 WeakPolarHBondContact O-CG1 3.39Å; S556-I560 PolarHBondContact O-N 2.91Å; C558-I560 PolarHBondContact O-N 3.09Å; I560-S564 VanDerWaalsContact O-CB 3.23Å; I560-S564 WeakPolarHBondContact O-CB 3.49Å; I560-S564 PolarHBondContact O-N 3.39Å; I560-L693 HydrophobicContact CG2-CD1 4.39Å; I560-A710 HydrophobicContact CG2-CB 4.14Å; I560-D713 HydrophobicContact CG2-CB 4.32Å; I560-F714 HydrophobicContact CD1-CB 3.98Å; I560-F714 HydrophobicContact CD1-CD2 3.9Å; I560-F714 HydrophobicContact CD1-CG 4.39Å; I560-L717 HydrophobicContact CD1-CD2 4.07Å
561A98Very high95.1Very high1 Ų116.3 Ų16.31%0.0089%0.086CC..Hα-helixtrans-65.1-41.9177.900000112.5C557 C558 A559 S564 N565 L693 L696 L697C557-A561 WeakPolarHBondContact O-CB 3.46Å; C557-A561 PolarHBondContact O-N 3.45Å; C558-A561 PolarHBondContact O-N 3.22Å; A559-A561 PolarHBondContact O-N 3.42Å; A561-S564 PolarHBondContact O-N 2.96Å; A561-N565 WeakPolarHBondContact O-CB 3.33Å; A561-N565 PolarHBondContact O-N 3.42Å; A561-N565 PolarHBondContact O-ND2 3.02Å; A561-N565 VanDerWaalsContact O-ND2 3.09Å; A561-L693 HydrophobicContact CB-CD1 4.05Å; A561-L696 HydrophobicContact CB-CB 3.45Å; A561-L696 VanDerWaalsContact CB-CB 3.45Å; A561-L696 HydrophobicContact CB-CD1 4.11Å; A561-L696 HydrophobicContact CB-CG 4.41Å; A561-L697 HydrophobicContact CB-CD2 4.12Å
562V96.9Very high93.9Very high1 Ų118.1 Ų18.11%0.00610%0.096CC..Hα-helixtrans-66.1-46178.1177.10000110.4C558 A559 S564 N565 C566 I582 L586 W660 M661 A664C558-V562 WeakPolarHBondContact O-CB 3.44Å; C558-V562 VanDerWaalsContact O-CG2 3.26Å; C558-V562 WeakPolarHBondContact O-CG2 3.34Å; C558-V562 PolarHBondContact O-N 2.85Å; A559-V562 PolarHBondContact O-N 3.45Å; V562-S564 VanDerWaalsContact C-N 3.35Å; V562-S564 PolarHBondContact O-N 3.17Å; V562-N565 PolarHBondContact O-N 3.27Å; V562-C566 PolarHBondContact O-N 3.18Å; V562-C566 PolarHBondContact O-SG 3.5Å; V562-C566 VanDerWaalsContact O-SG 3.42Å; V562-I582 HydrophobicContact CG1-CG2 4.42Å; V562-L586 HydrophobicContact CG2-CD1 3.86Å; V562-L586 HydrophobicContact CG2-CD2 4.17Å; V562-W660 HydrophobicContact CG1-CZ3 4.49Å; V562-M661 HydrophobicContact CB-CG 4.1Å; V562-M661 HydrophobicContact CG1-CB 4.42Å; V562-M661 HydrophobicContact CG1-CG 3.73Å; V562-A664 HydrophobicContact CG1-CB 4.47Å; V562-A664 HydrophobicContact CG2-CB 3.98Å
563H95.9Very high92.3Very high56 Ų5624.4 Ų24.426%0.25913%0.13SC..Hα-helixtrans-54.9-51.1173.9176.4-101.1000111.6A559 N565 C566 E567 Y657 M661A559-H563 WeakPolarHBondContact O-CB 3.35Å; A559-H563 PolarHBondContact O-N 2.82Å; H563-N565 VanDerWaalsContact C-N 3.33Å; H563-N565 PolarHBondContact O-N 3.24Å; H563-C566 WeakPolarHBondContact O-CB 3.3Å; H563-C566 PolarHBondContact O-N 2.9Å; H563-E567 PolarHBondContact O-N 3.07Å; H563-Y657 HydrophobicContact CB-CD1 4.37Å; H563-Y657 HydrophobicContact CB-CE1 3.88Å; H563-Y657 AromaticContact CD2-CD1 3.93Å; H563-Y657 AromaticContact CD2-CE1 3.38Å; H563-Y657 WeakPolarHBondContact CD2-CE1 3.36Å; H563-Y657 AromaticContact CG-CE1 3.51Å; H563-Y657 AromaticContact NE2-CE1 3.96Å; H563-M661 HydrophobicContact CB-SD 3.64Å
564S95.8Very high90.2Very high4 Ų427.9 Ų27.93%0.02815%0.151CC..Hα-helixtrans-59.7-41.7178-178.80000112.2I560 A561 V562 C566 E567 F568 Q706I560-S564 VanDerWaalsContact O-CB 3.23Å; I560-S564 WeakPolarHBondContact O-CB 3.49Å; I560-S564 PolarHBondContact O-N 3.39Å; A561-S564 PolarHBondContact O-N 2.96Å; V562-S564 VanDerWaalsContact C-N 3.35Å; V562-S564 PolarHBondContact O-N 3.17Å; S564-C566 PolarHBondContact O-N 3.16Å; S564-E567 PolarHBondContact O-N 3.18Å; S564-F568 WeakPolarHBondContact O-CB 3.29Å; S564-F568 VanDerWaalsContact O-CD2 3.29Å; S564-F568 WeakPolarHBondContact O-CD2 3.46Å; S564-F568 PolarHBondContact O-N 3.13Å; S564-Q706 PolarHBondContact O-NE2 3.1Å; S564-Q706 WeakPolarHBondContact OG-CG 3.35Å; S564-Q706 PolarHBondContact OG-NE2 3.31Å
565N95.3Very high87.8Confident0 Ų038.3 Ų38.30%020%0.197CC..Hα-helixtrans-62.6-42.6175.9-75.3-33.5000112.3A561 V562 H563 L569 I582 L696 L697 I698 Q706A561-N565 WeakPolarHBondContact O-CB 3.33Å; A561-N565 PolarHBondContact O-N 3.42Å; A561-N565 PolarHBondContact O-ND2 3.02Å; A561-N565 VanDerWaalsContact O-ND2 3.09Å; V562-N565 PolarHBondContact O-N 3.27Å; H563-N565 VanDerWaalsContact C-N 3.33Å; H563-N565 PolarHBondContact O-N 3.24Å; N565-L569 VanDerWaalsContact O-CB 3.22Å; N565-L569 WeakPolarHBondContact O-CB 3.3Å; N565-L569 WeakPolarHBondContact O-CG 3.47Å; N565-L569 PolarHBondContact O-N 3.48Å; N565-I582 HydrophobicContact CB-CD1 4.02Å; N565-I582 HydrophobicContact CB-CG1 4.1Å; N565-L696 PolarHBondContact ND2-O 2.89Å; N565-L697 WeakPolarHBondContact OD1-CA 3.32Å; N565-I698 HydrophobicContact CB-CD1 4.23Å; N565-I698 PolarHBondContact OD1-N 2.69Å; N565-Q706 PolarHBondContact OD1-NE2 3.37Å; N565-Q706 VanDerWaalsContact OD1-NE2 3.1Å
566C92.4Very high85.8Confident33 Ų3340.3 Ų40.322%0.22322%0.217CC..Hα-helixtrans-60.4-47.6175.8-72.10000111.5V562 H563 S564 G570 I582 M661V562-C566 PolarHBondContact O-N 3.18Å; V562-C566 PolarHBondContact O-SG 3.5Å; V562-C566 VanDerWaalsContact O-SG 3.42Å; H563-C566 WeakPolarHBondContact O-CB 3.3Å; H563-C566 PolarHBondContact O-N 2.9Å; S564-C566 PolarHBondContact O-N 3.16Å; C566-G570 PolarHBondContact O-N 3.43Å; C566-G570 VanDerWaalsContact O-N 3.17Å; C566-I582 VanDerWaalsContact SG-CD1 3.56Å; C566-M661 HydrophobicContact CB-CE 4.46Å
567E91.5Very high84.4Confident70 Ų7044.5 Ų44.533%0.32724%0.239SC..Hα-helixtrans-61.5-51.2-179.7-175-170.8172.500112H563 S564 G570 R571H563-E567 PolarHBondContact O-N 3.07Å; S564-E567 PolarHBondContact O-N 3.18Å; E567-G570 PolarHBondContact O-N 2.85Å; E567-R571 WeakPolarHBondContact O-CG 3.5Å; E567-R571 PolarHBondContact O-N 2.81Å; E567-R571 IonicContact OE1-CZ 3.45Å; E567-R571 IonicContact OE1-NE 2.62Å; E567-R571 IonicContact OE1-NH2 3.84Å; E567-R571 PolarHBondContact OE1-NH2 3.05Å
568F91.8Very high83.6Confident0 Ų047.1 Ų47.10%025%0.251CS..Hα-helixtrans-78.9-27.1-172.2-80.2-98.5000113.7S564 R571 F702 Q705 Q706 C709S564-F568 WeakPolarHBondContact O-CB 3.29Å; S564-F568 VanDerWaalsContact O-CD2 3.29Å; S564-F568 WeakPolarHBondContact O-CD2 3.46Å; S564-F568 PolarHBondContact O-N 3.13Å; F568-R571 PolarHBondContact O-N 3.09Å; F568-F702 HydrophobicContact CD1-CB 3.7Å; F568-F702 HydrophobicContact CE1-CB 3.89Å; F568-Q705 HydrophobicContact CE1-CB 4.27Å; F568-Q705 HydrophobicContact CE1-CG 4.14Å; F568-Q705 HydrophobicContact CZ-CG 4.22Å; F568-Q706 HydrophobicContact CB-CG 4.15Å; F568-Q706 HydrophobicContact CD1-CB 3.74Å; F568-Q706 HydrophobicContact CD1-CG 4.06Å; F568-Q706 HydrophobicContact CD2-CB 4.11Å; F568-Q706 HydrophobicContact CD2-CG 3.64Å; F568-Q706 HydrophobicContact CE1-CB 3.75Å; F568-Q706 HydrophobicContact CE1-CG 4.35Å; F568-Q706 HydrophobicContact CE2-CB 4.13Å; F568-Q706 HydrophobicContact CE2-CG 3.97Å; F568-Q706 HydrophobicContact CG-CB 3.9Å; F568-Q706 HydrophobicContact CG-CG 3.67Å; F568-Q706 VanDerWaalsContact CZ-CA 3.47Å; F568-Q706 HydrophobicContact CZ-CB 3.94Å; F568-Q706 HydrophobicContact CZ-CG 4.3Å; F568-C709 HydrophobicContact CZ-CB 4.48Å
569L89.4Confident83Confident15 Ų1547.4 Ų47.48%0.07925%0.253CS..Hα-helixtrans-69.3-35.9168.6-71.9174.3000111.6N565 R571 N572 T574 F578 I582 I698 T700N565-L569 VanDerWaalsContact O-CB 3.22Å; N565-L569 WeakPolarHBondContact O-CB 3.3Å; N565-L569 WeakPolarHBondContact O-CG 3.47Å; N565-L569 PolarHBondContact O-N 3.48Å; L569-R571 VanDerWaalsContact C-N 3.3Å; L569-R571 PolarHBondContact O-N 2.97Å; L569-N572 PolarHBondContact O-N 2.53Å; L569-T574 PolarHBondContact O-OG1 2.98Å; L569-F578 HydrophobicContact CB-CB 4.31Å; L569-F578 HydrophobicContact CB-CD1 3.65Å; L569-F578 HydrophobicContact CB-CD2 4.34Å; L569-F578 HydrophobicContact CB-CE1 4.03Å; L569-F578 HydrophobicContact CB-CG 3.83Å; L569-F578 HydrophobicContact CD1-CB 3.98Å; L569-F578 HydrophobicContact CD1-CD1 4.36Å; L569-F578 HydrophobicContact CD1-CG 4.37Å; L569-F578 WeakPolarHBondContact O-CE1 3.48Å; L569-F578 WeakPolarHBondContact O-CZ 3.29Å; L569-I582 HydrophobicContact CD1-CD1 4.1Å; L569-I582 HydrophobicContact CD1-CG1 3.75Å; L569-I698 HydrophobicContact CD1-CD1 3.89Å; L569-I698 HydrophobicContact CD2-CG2 4.29Å; L569-T700 HydrophobicContact CD2-CG2 4Å
570G83.5Confident82.5Confident36 Ų3650.8 Ų50.837%0.37127%0.271SS..Hα-helixtrans-59.2-39.4172.700000113C566 E567 N572C566-G570 PolarHBondContact O-N 3.43Å; C566-G570 VanDerWaalsContact O-N 3.17Å; E567-G570 PolarHBondContact O-N 2.85Å; G570-N572 VanDerWaalsContact C-N 3.29Å; G570-N572 PolarHBondContact O-N 2.95Å
571R82.5Confident82.2Confident113 Ų11353.8 Ų53.843%0.42629%0.292SS..Hα-helixtrans-69.1-21178.4-67.8176.4-176.5-1560.2114.4E567 F568 L569 N573E567-R571 WeakPolarHBondContact O-CG 3.5Å; E567-R571 PolarHBondContact O-N 2.81Å; E567-R571 IonicContact OE1-CZ 3.45Å; E567-R571 IonicContact OE1-NE 2.62Å; E567-R571 IonicContact OE1-NH2 3.84Å; E567-R571 PolarHBondContact OE1-NH2 3.05Å; F568-R571 PolarHBondContact O-N 3.09Å; L569-R571 VanDerWaalsContact C-N 3.3Å; L569-R571 PolarHBondContact O-N 2.97Å; R571-N573 PolarHBondContact O-N 3.32Å; R571-N573 VanDerWaalsContact O-N 3.16Å
572N73.3Confident82Confident42 Ų4253.9 Ų53.923%0.22529%0.292CS..THydrogen-bonded Turntrans-75.97.8-179-84-22.6000114.1L569 G570 T574 T700 F702L569-N572 PolarHBondContact O-N 2.53Å; G570-N572 VanDerWaalsContact C-N 3.29Å; G570-N572 PolarHBondContact O-N 2.95Å; N572-T574 PolarHBondContact O-N 3.43Å; N572-T700 WeakPolarHBondContact ND2-CB 3.45Å; N572-T700 WeakPolarHBondContact ND2-CG2 3.43Å; N572-F702 WeakPolarHBondContact OD1-CE2 3.5Å
573N64.3Low81.9Confident133 Ų13354.2 Ų54.271%0.71130%0.295SS*.THydrogen-bonded Turntrans52.815.5-175.9-71.5-16.8000114.6R571 F575R571-N573 PolarHBondContact O-N 3.32Å; R571-N573 VanDerWaalsContact O-N 3.16Å; N573-F575 WeakPolarHBondContact O-CD2 3.3Å; N573-F575 PolarHBondContact O-N 2.77Å; N573-F575 VanDerWaalsContact O-N 3.1Å
574T55.2Low81.9Confident73 Ų7354.3 Ų54.345%0.44830%0.3SS..  trans-72.8102170.736.20000107.4L569 N572 G576 F578L569-T574 PolarHBondContact O-OG1 2.98Å; N572-T574 PolarHBondContact O-N 3.43Å; T574-G576 PolarHBondContact O-N 2.91Å; T574-F578 WeakPolarHBondContact O-CE1 3.41Å; T574-F578 WeakPolarHBondContact O-CZ 3.42Å; T574-F578 VanDerWaalsContact OG1-CE1 3.31Å; T574-F578 WeakPolarHBondContact OG1-CE1 3.28Å
575F48.1Very low81.9Confident219 Ų21956.3 Ų56.396%0.96131%0.308SS*.  trans-6839.2179.6-83.4-88.7000114N573N573-F575 WeakPolarHBondContact O-CD2 3.3Å; N573-F575 PolarHBondContact O-N 2.77Å; N573-F575 VanDerWaalsContact O-N 3.1Å
576G56.3Low82Confident41 Ų4156.5 Ų56.542%0.42331%0.309SS..SBendtrans-115156.5-171.400000114.2T574 F578T574-G576 PolarHBondContact O-N 2.91Å; G576-F578 VanDerWaalsContact C-N 3.33Å; G576-F578 WeakPolarHBondContact O-CD1 3.38Å; G576-F578 WeakPolarHBondContact O-CE1 3.38Å; G576-F578 PolarHBondContact O-N 3.39Å
577D69.3Low82.2Confident88 Ų8857.2 Ų57.247%0.47131%0.311SS..  trans-64.590.5166.6178.913.8000110.1S579 N580D577-S579 PolarHBondContact O-N 2.88Å; D577-S579 WeakPolarHBondContact OD1-CB 3.43Å; D577-S579 PolarHBondContact OD1-N 3.38Å; D577-S579 PolarHBondContact OD1-OG 3.43Å; D577-N580 PolarHBondContact O-N 3.3Å
578F81.7Confident82.5Confident55 Ų5560.4 Ų60.424%0.24132%0.324CS..THydrogen-bonded Turntrans-57-21.6-178.8-53.4-51.3000113.4L569 T574 G576 N580 S581 I582L569-F578 HydrophobicContact CB-CB 4.31Å; L569-F578 HydrophobicContact CB-CD1 3.65Å; L569-F578 HydrophobicContact CB-CD2 4.34Å; L569-F578 HydrophobicContact CB-CE1 4.03Å; L569-F578 HydrophobicContact CB-CG 3.83Å; L569-F578 HydrophobicContact CD1-CB 3.98Å; L569-F578 HydrophobicContact CD1-CD1 4.36Å; L569-F578 HydrophobicContact CD1-CG 4.37Å; L569-F578 WeakPolarHBondContact O-CE1 3.48Å; L569-F578 WeakPolarHBondContact O-CZ 3.29Å; T574-F578 WeakPolarHBondContact O-CE1 3.41Å; T574-F578 WeakPolarHBondContact O-CZ 3.42Å; T574-F578 VanDerWaalsContact OG1-CE1 3.31Å; T574-F578 WeakPolarHBondContact OG1-CE1 3.28Å; G576-F578 VanDerWaalsContact C-N 3.33Å; G576-F578 WeakPolarHBondContact O-CD1 3.38Å; G576-F578 WeakPolarHBondContact O-CE1 3.38Å; G576-F578 PolarHBondContact O-N 3.39Å; F578-N580 PolarHBondContact O-N 3.44Å; F578-N580 VanDerWaalsContact O-N 3.13Å; F578-S581 PolarHBondContact O-N 3.5Å; F578-S581 VanDerWaalsContact O-N 3.09Å; F578-I582 HydrophobicContact CB-CD1 4.32Å; F578-I582 WeakPolarHBondContact O-CG1 3.36Å; F578-I582 PolarHBondContact O-N 3.2Å
579S84.7Confident82.8Confident13 Ų1360.7 Ų60.79%0.09133%0.325CS..Hα-helixtrans-53.8-36.8-177.4-45.50000111.7R57 D577 C583R57-S579 WeakPolarHBondContact CD-O 3.45Å; D577-S579 PolarHBondContact O-N 2.88Å; D577-S579 WeakPolarHBondContact OD1-CB 3.43Å; D577-S579 PolarHBondContact OD1-N 3.38Å; D577-S579 PolarHBondContact OD1-OG 3.43Å; S579-C583 WeakPolarHBondContact O-CB 3.2Å; S579-C583 PolarHBondContact O-N 3.21Å
580N88.7Confident83.2Confident72 Ų7260 Ų6039%0.38532%0.322SS..Hα-helixtrans-66.9-47.3178.2-17737.8000113R57 D577 F578 I582 C583 T584R57-N580 PolarHBondContact NH1-OD1 3.19Å; R57-N580 PolarHBondContact NH2-OD1 3.23Å; D577-N580 PolarHBondContact O-N 3.3Å; F578-N580 PolarHBondContact O-N 3.44Å; F578-N580 VanDerWaalsContact O-N 3.13Å; N580-I582 VanDerWaalsContact C-N 3.33Å; N580-I582 PolarHBondContact O-N 2.84Å; N580-C583 PolarHBondContact O-N 2.86Å; N580-T584 WeakPolarHBondContact O-CB 3.28Å; N580-T584 PolarHBondContact O-N 3.31Å; N580-T584 PolarHBondContact O-OG1 3.36Å
581S91.2Very high83.8Confident65 Ų6562.4 Ų62.446%0.45533%0.326SS..Hα-helixtrans-62.4-44.1179-61.40000110.8F578 H585F578-S581 PolarHBondContact O-N 3.5Å; F578-S581 VanDerWaalsContact O-N 3.09Å; S581-H585 WeakPolarHBondContact O-CB 3.37Å; S581-H585 PolarHBondContact O-N 3.47Å
582I94.7Very high84.4Confident2 Ų260.5 Ų60.51%0.0132%0.324CS..Hα-helixtrans-63.4-52.2176.9-59.2172.4000110.7L53 V562 N565 C566 L569 F578 N580 T584 H585 L586 I698L53-I582 HydrophobicContact CD2-CB 3.98Å; L53-I582 HydrophobicContact CD2-CG2 3.55Å; V562-I582 HydrophobicContact CG1-CG2 4.42Å; N565-I582 HydrophobicContact CB-CD1 4.02Å; N565-I582 HydrophobicContact CB-CG1 4.1Å; C566-I582 VanDerWaalsContact SG-CD1 3.56Å; L569-I582 HydrophobicContact CD1-CD1 4.1Å; L569-I582 HydrophobicContact CD1-CG1 3.75Å; F578-I582 HydrophobicContact CB-CD1 4.32Å; F578-I582 WeakPolarHBondContact O-CG1 3.36Å; F578-I582 PolarHBondContact O-N 3.2Å; N580-I582 VanDerWaalsContact C-N 3.33Å; N580-I582 PolarHBondContact O-N 2.84Å; I582-T584 VanDerWaalsContact C-N 3.3Å; I582-T584 PolarHBondContact O-N 3.15Å; I582-H585 WeakPolarHBondContact O-CB 3.44Å; I582-H585 PolarHBondContact O-N 3.26Å; I582-H585 VanDerWaalsContact O-N 3.08Å; I582-L586 HydrophobicContact CG2-CD1 4.01Å; I582-L586 HydrophobicContact CG2-CG 4.05Å; I582-L586 WeakPolarHBondContact O-CG 3.29Å; I582-L586 PolarHBondContact O-N 2.98Å; I582-I698 HydrophobicContact CB-CD1 4.27Å; I582-I698 HydrophobicContact CG1-CD1 3.71Å
583C94.8Very high85.5Confident8 Ų858.5 Ų58.55%0.05431%0.314CS..Hα-helixtrans-58-41.8-179.8-176.90000112.6L53 R57 S579 N580 N587L53-C583 HydrophobicContact CD2-CB 3.96Å; L53-C583 HydrophobicContact CG-CB 4.12Å; R57-C583 PolarHBondContact NH1-SG 3.39Å; S579-C583 WeakPolarHBondContact O-CB 3.2Å; S579-C583 PolarHBondContact O-N 3.21Å; N580-C583 PolarHBondContact O-N 2.86Å; C583-N587 PolarHBondContact O-N 3.05Å; C583-N587 PolarHBondContact O-ND2 2.86Å; C583-N587 VanDerWaalsContact O-ND2 3.11Å
584T95.2Very high86.9Confident59 Ų5953.8 Ų53.836%0.36229%0.286SS..Hα-helixtrans-64.2-42.4176.5-58.60000111.4N580 I582 N587 K588N580-T584 WeakPolarHBondContact O-CB 3.28Å; N580-T584 PolarHBondContact O-N 3.31Å; N580-T584 PolarHBondContact O-OG1 3.36Å; I582-T584 VanDerWaalsContact C-N 3.3Å; I582-T584 PolarHBondContact O-N 3.15Å; T584-N587 PolarHBondContact O-N 3.4Å; T584-K588 WeakPolarHBondContact O-CG 3.26Å; T584-K588 PolarHBondContact O-N 3.47Å
585H96.9Very high88.7Confident46 Ų4653 Ų5321%0.21328%0.284CS..Hα-helixtrans-64.7-48177.2-17366.2000112.1S581 I582 N587 K588 C589 K695 L696 I698S581-H585 WeakPolarHBondContact O-CB 3.37Å; S581-H585 PolarHBondContact O-N 3.47Å; I582-H585 WeakPolarHBondContact O-CB 3.44Å; I582-H585 PolarHBondContact O-N 3.26Å; I582-H585 VanDerWaalsContact O-N 3.08Å; H585-N587 VanDerWaalsContact C-N 3.27Å; H585-N587 PolarHBondContact O-N 3.11Å; H585-K588 WeakPolarHBondContact O-CB 3.29Å; H585-K588 PolarHBondContact O-N 3.43Å; H585-K588 VanDerWaalsContact O-N 3.07Å; H585-C589 PolarHBondContact O-N 3.18Å; H585-C589 PolarHBondContact O-SG 3.47Å; H585-C589 VanDerWaalsContact O-SG 3.38Å; H585-K695 PolarHBondContact CE1-O 3.21Å; H585-K695 PolarHBondContact NE2-O 2.76Å; H585-L696 PolarHBondContact CD2-O 3.39Å; H585-L696 VanDerWaalsContact CD2-O 3.3Å; H585-L696 PolarHBondContact NE2-O 2.92Å; H585-I698 HydrophobicContact CB-CD1 4.07Å; H585-I698 HydrophobicContact CB-CG1 3.88Å
586L97.5Very high90.9Very high4 Ų444.8 Ų44.82%0.02125%0.25CC..Hα-helixtrans-59.5-37.9178-63.9-174.4000112L53 V562 I582 C589 A590 A664 L668L53-L586 HydrophobicContact CD2-CD1 3.96Å; V562-L586 HydrophobicContact CG2-CD1 3.86Å; V562-L586 HydrophobicContact CG2-CD2 4.17Å; I582-L586 HydrophobicContact CG2-CD1 4.01Å; I582-L586 HydrophobicContact CG2-CG 4.05Å; I582-L586 WeakPolarHBondContact O-CG 3.29Å; I582-L586 PolarHBondContact O-N 2.98Å; L586-C589 PolarHBondContact O-N 3.49Å; L586-A590 WeakPolarHBondContact O-CB 2.98Å; L586-A590 PolarHBondContact O-N 3.33Å; L586-A664 HydrophobicContact CD1-CB 3.78Å; L586-L668 HydrophobicContact CB-CD2 4.02Å; L586-L668 HydrophobicContact CD2-CD2 3.67Å; L586-L668 HydrophobicContact CG-CD2 4.25Å
587N96.3Very high92.7Very high48 Ų4843.1 Ų43.126%0.25723%0.231SC..Hα-helixtrans-62.2-44.3174.3-86.6-49.6000112.4C583 T584 H585 C589 A590 D591 R667C583-N587 PolarHBondContact O-N 3.05Å; C583-N587 PolarHBondContact O-ND2 2.86Å; C583-N587 VanDerWaalsContact O-ND2 3.11Å; T584-N587 PolarHBondContact O-N 3.4Å; H585-N587 VanDerWaalsContact C-N 3.27Å; H585-N587 PolarHBondContact O-N 3.11Å; N587-C589 VanDerWaalsContact C-N 3.33Å; N587-C589 PolarHBondContact O-N 3.18Å; N587-A590 PolarHBondContact O-N 3.05Å; N587-D591 VanDerWaalsContact O-CG 3.23Å; N587-D591 PolarHBondContact O-N 3.34Å; N587-R667 PolarHBondContact O-NH2 2.88Å; N587-R667 VanDerWaalsContact O-NH2 3.08Å; N587-R667 PolarHBondContact OD1-NH2 3.18Å; N587-R667 VanDerWaalsContact OD1-NH2 3.14Å
588K97.9Very high93.6Very high137 Ų13740.8 Ų40.860%0.59622%0.221SC*.Hα-helixtrans-62-40.8174.4-68.3174.5-179.7179.50111.7T584 H585 A590 D591 L592T584-K588 WeakPolarHBondContact O-CG 3.26Å; T584-K588 PolarHBondContact O-N 3.47Å; H585-K588 WeakPolarHBondContact O-CB 3.29Å; H585-K588 PolarHBondContact O-N 3.43Å; H585-K588 VanDerWaalsContact O-N 3.07Å; K588-A590 VanDerWaalsContact C-N 3.32Å; K588-A590 PolarHBondContact O-N 3.37Å; K588-D591 PolarHBondContact O-N 2.85Å; K588-L592 WeakPolarHBondContact O-CB 3.41Å; K588-L592 PolarHBondContact O-N 3.4Å
589C98.2Very high94.1Very high5 Ų544.9 Ų44.93%0.03424%0.241CC..Hα-helixtrans-63.2-39175.3-66.40000112.1H585 L586 N587 L592 A593 L668 K695 L696H585-C589 PolarHBondContact O-N 3.18Å; H585-C589 PolarHBondContact O-SG 3.47Å; H585-C589 VanDerWaalsContact O-SG 3.38Å; L586-C589 PolarHBondContact O-N 3.49Å; N587-C589 VanDerWaalsContact C-N 3.33Å; N587-C589 PolarHBondContact O-N 3.18Å; C589-L592 PolarHBondContact O-N 2.86Å; C589-A593 WeakPolarHBondContact O-CB 3.44Å; C589-A593 PolarHBondContact O-N 3.4Å; C589-L668 HydrophobicContact CB-CD1 3.75Å; C589-K695 PolarHBondContact SG-O 2.84Å; C589-L696 HydrophobicContact CB-CD2 3.85Å
590A96.4Very high94.2Very high0 Ų053.8 Ų53.80%027%0.273CS..Hα-helixtrans-68.9-38.3177.800000111.8L586 N587 K588 A593 K594 R667 L668L586-A590 WeakPolarHBondContact O-CB 2.98Å; L586-A590 PolarHBondContact O-N 3.33Å; N587-A590 PolarHBondContact O-N 3.05Å; K588-A590 VanDerWaalsContact C-N 3.32Å; K588-A590 PolarHBondContact O-N 3.37Å; A590-A593 PolarHBondContact O-N 2.83Å; A590-K594 WeakPolarHBondContact O-CB 3.45Å; A590-K594 PolarHBondContact O-N 2.82Å; A590-R667 HydrophobicContact CB-CG 4.31Å; A590-L668 HydrophobicContact CB-CB 3.97Å; A590-L668 HydrophobicContact CB-CD1 3.89Å
591D95.6Very high94.1Very high87 Ų8753 Ų5347%0.46527%0.268SS..Hα-helixtrans-64-41.9172.8-62.9-24.7000111.4N587 K588 K594 S595 R667N587-D591 VanDerWaalsContact O-CG 3.23Å; N587-D591 PolarHBondContact O-N 3.34Å; K588-D591 PolarHBondContact O-N 2.85Å; D591-K594 PolarHBondContact O-N 2.9Å; D591-S595 VanDerWaalsContact O-CB 3.3Å; D591-S595 WeakPolarHBondContact O-CB 3.46Å; D591-S595 PolarHBondContact O-N 3.32Å; D591-R667 IonicContact OD1-CZ 2.76Å; D591-R667 VanDerWaalsContact OD1-CZ 3.26Å; D591-R667 IonicContact OD1-NH1 3.93Å; D591-R667 PolarHBondContact OD1-NH1 3.15Å; D591-R667 IonicContact OD1-NH2 3.81Å; D591-R667 PolarHBondContact OD1-NH2 3.47Å
592L97Very high93.6Very high74 Ų7454.1 Ų54.139%0.38728%0.276SS..Hα-helixtrans-62.4-47.1174.6179.462.5000111.8K588 C589 S595 I596 W692 K695K588-L592 WeakPolarHBondContact O-CB 3.41Å; K588-L592 PolarHBondContact O-N 3.4Å; C589-L592 PolarHBondContact O-N 2.86Å; L592-S595 PolarHBondContact O-N 3.4Å; L592-I596 HydrophobicContact CD1-CD1 3.85Å; L592-I596 HydrophobicContact CD1-CG1 4.12Å; L592-I596 HydrophobicContact CG-CD1 3.87Å; L592-I596 VanDerWaalsContact O-CG1 3.32Å; L592-I596 WeakPolarHBondContact O-CG1 3.42Å; L592-I596 PolarHBondContact O-N 2.84Å; L592-W692 HydrophobicContact CG-CH2 4.42Å; L592-K695 HydrophobicContact CD2-CD 3.94Å
593A95.6Very high92.6Very high0 Ų055.3 Ų55.30%028%0.284CS..Hα-helixtrans-60.2-46177.800000111.9C589 A590 Y597 W671 I672 W692C589-A593 WeakPolarHBondContact O-CB 3.44Å; C589-A593 PolarHBondContact O-N 3.4Å; A590-A593 PolarHBondContact O-N 2.83Å; A593-Y597 WeakPolarHBondContact O-CB 3.47Å; A593-Y597 PolarHBondContact O-N 3.49Å; A593-Y597 VanDerWaalsContact O-N 3.08Å; A593-W671 HydrophobicContact CB-CB 3.71Å; A593-I672 HydrophobicContact CB-CG1 4.19Å; A593-W692 VanDerWaalsContact CA-CH2 3.44Å; A593-W692 HydrophobicContact CB-CH2 3.5Å; A593-W692 VanDerWaalsContact CB-CH2 3.5Å; A593-W692 HydrophobicContact CB-CZ2 4.21Å; A593-W692 HydrophobicContact CB-CZ3 3.91Å
594K93.7Very high92Very high33 Ų3360 Ų6014%0.14330%0.303CS..Hα-helixtrans-57.2-50.9173.1-178.1178.2-179.6179.60110.9L115 A590 D591 I596 Y597 C598 W671L115-K594 PolarHBondContact O-NZ 3.48Å; A590-K594 WeakPolarHBondContact O-CB 3.45Å; A590-K594 PolarHBondContact O-N 2.82Å; D591-K594 PolarHBondContact O-N 2.9Å; K594-I596 PolarHBondContact O-N 3.29Å; K594-Y597 PolarHBondContact O-N 3.19Å; K594-C598 WeakPolarHBondContact O-CB 3.43Å; K594-C598 PolarHBondContact O-N 3.04Å; K594-C598 PolarHBondContact O-SG 3.23Å; K594-W671 HydrophobicContact CB-CD2 3.69Å; K594-W671 HydrophobicContact CB-CE3 4.13Å; K594-W671 HydrophobicContact CB-CG 3.9Å; K594-W671 HydrophobicContact CB-CZ2 4.43Å; K594-W671 HydrophobicContact CD-CH2 4.42Å; K594-W671 HydrophobicContact CD-CZ2 3.8Å; K594-W671 HydrophobicContact CG-CD2 3.94Å; K594-W671 HydrophobicContact CG-CE3 4.17Å; K594-W671 HydrophobicContact CG-CH2 4.03Å; K594-W671 HydrophobicContact CG-CZ2 3.78Å; K594-W671 HydrophobicContact CG-CZ3 4.21Å
595S93.6Very high91.7Very high58 Ų5857.9 Ų57.941%0.40629%0.289SS..Hα-helixtrans-57.6-49.7-178.2-177.80000112.2D591 L592 Y597 C598 Q599D591-S595 VanDerWaalsContact O-CB 3.3Å; D591-S595 WeakPolarHBondContact O-CB 3.46Å; D591-S595 PolarHBondContact O-N 3.32Å; L592-S595 PolarHBondContact O-N 3.4Å; S595-Y597 VanDerWaalsContact C-N 3.34Å; S595-Y597 PolarHBondContact O-N 3.39Å; S595-C598 PolarHBondContact O-N 3.49Å; S595-Q599 WeakPolarHBondContact O-CG 3.33Å; S595-Q599 PolarHBondContact O-N 3.34Å
596I94.4Very high91.4Very high45 Ų4555.9 Ų55.923%0.23128%0.28CS..Hα-helixtrans-62.3-41.5179.4-62.1166.5000111.2L592 K594 L675 W692L592-I596 HydrophobicContact CD1-CD1 3.85Å; L592-I596 HydrophobicContact CD1-CG1 4.12Å; L592-I596 HydrophobicContact CG-CD1 3.87Å; L592-I596 VanDerWaalsContact O-CG1 3.32Å; L592-I596 WeakPolarHBondContact O-CG1 3.42Å; L592-I596 PolarHBondContact O-N 2.84Å; K594-I596 PolarHBondContact O-N 3.29Å; I596-L675 HydrophobicContact CB-CD1 3.74Å; I596-L675 HydrophobicContact CG2-CD1 3.42Å; I596-L675 VanDerWaalsContact CG2-CD1 3.42Å; I596-W692 HydrophobicContact CD1-CH2 4.04Å; I596-W692 HydrophobicContact CD1-CZ2 4.03Å
597Y92.3Very high91.3Very high6 Ų656.5 Ų56.52%0.02428%0.284CS..Hα-helixtrans-62.2-46.7176.6175.4-90.6000111.7A593 K594 S595 Q599 R600 N601 W671 R674A593-Y597 WeakPolarHBondContact O-CB 3.47Å; A593-Y597 PolarHBondContact O-N 3.49Å; A593-Y597 VanDerWaalsContact O-N 3.08Å; K594-Y597 PolarHBondContact O-N 3.19Å; S595-Y597 VanDerWaalsContact C-N 3.34Å; S595-Y597 PolarHBondContact O-N 3.39Å; Y597-Q599 VanDerWaalsContact C-N 3.28Å; Y597-Q599 PolarHBondContact O-N 2.93Å; Y597-R600 PolarHBondContact O-N 2.98Å; Y597-N601 HydrophobicContact CD1-CB 4.29Å; Y597-N601 HydrophobicContact CD2-CB 4.45Å; Y597-N601 HydrophobicContact CE1-CB 3.79Å; Y597-N601 HydrophobicContact CE2-CB 4Å; Y597-N601 WeakPolarHBondContact O-CB 3.45Å; Y597-N601 PolarHBondContact O-N 3.49Å; Y597-N601 PolarHBondContact O-ND2 3.47Å; Y597-N601 VanDerWaalsContact O-ND2 3.15Å; Y597-W671 HydrophobicContact CD1-CE3 4.32Å; Y597-W671 AromaticContact CD1-CZ3 3.74Å; Y597-W671 HydrophobicContact CD1-CZ3 3.74Å; Y597-W671 HydrophobicContact CE1-CZ3 4.18Å; Y597-W671 HydrophobicContact CG-CZ3 4.35Å; Y597-R674 HydrophobicContact CD2-CB 3.87Å; Y597-R674 WeakPolarHBondContact CD2-O 3.36Å; Y597-R674 HydrophobicContact CE2-CB 3.91Å; Y597-R674 WeakPolarHBondContact CE2-O 3.47Å; Y597-R674 HydrophobicContact CG-CB 4.32Å; Y597-R674 PolarHBondContact OH-NH2 3.01Å
598C89.8Confident91.2Very high39 Ų3957.1 Ų57.126%0.26429%0.285SS..Hα-helixtrans-69.6-21.2-176.4-61.60000113.6K594 S595 R600 N601K594-C598 WeakPolarHBondContact O-CB 3.43Å; K594-C598 PolarHBondContact O-N 3.04Å; K594-C598 PolarHBondContact O-SG 3.23Å; S595-C598 PolarHBondContact O-N 3.49Å; C598-R600 PolarHBondContact O-N 3.48Å; C598-N601 WeakPolarHBondContact CA-O 3.37Å
599Q91.1Very high91.1Very high142 Ų14250.7 Ų50.766%0.66426%0.257SS*.THydrogen-bonded Turntrans-65.9-25173.7-76.4170.60.600113S595 Y597S595-Q599 WeakPolarHBondContact O-CG 3.33Å; S595-Q599 PolarHBondContact O-N 3.34Å; Y597-Q599 VanDerWaalsContact C-N 3.28Å; Y597-Q599 PolarHBondContact O-N 2.93Å
600R87.5Confident91.1Very high200 Ų20050.4 Ų50.476%0.75526%0.256SS*.THydrogen-bonded Turntrans-116.9-18.4-173.8-61.9-179.3-177.8-174.2-2.9113.5Y597 C598Y597-R600 PolarHBondContact O-N 2.98Å; C598-R600 PolarHBondContact O-N 3.48Å
601N85.9Confident91.1Very high55 Ų5550.4 Ų50.429%0.29426%0.256SS..SBendtrans-135.2149.5-172-56.5-82.4000110.3Y597 C598Y597-N601 HydrophobicContact CD1-CB 4.29Å; Y597-N601 HydrophobicContact CD2-CB 4.45Å; Y597-N601 HydrophobicContact CE1-CB 3.79Å; Y597-N601 HydrophobicContact CE2-CB 4Å; Y597-N601 WeakPolarHBondContact O-CB 3.45Å; Y597-N601 PolarHBondContact O-N 3.49Å; Y597-N601 PolarHBondContact O-ND2 3.47Å; Y597-N601 VanDerWaalsContact O-ND2 3.15Å; C598-N601 WeakPolarHBondContact CA-O 3.37Å
602S80.4Confident91.2Very high89 Ų8946.3 Ų46.362%0.62223%0.234SC*.  trans-63.7132.1167.3-174.70000109.6F604S602-F604 WeakPolarHBondContact O-CD1 3.39Å; S602-F604 PolarHBondContact O-N 3.09Å; S602-F604 VanDerWaalsContact O-N 3.13Å
603P75.3Confident91.3Very high27 Ų2742.9 Ų42.918%0.17522%0.216CC..  trans-78103.5178.833.4-34.5000109.5L115L115-P603 HydrophobicContact CB-CB 3.52Å; L115-P603 HydrophobicContact CB-CG 3.74Å; L115-P603 WeakPolarHBondContact CD1-O 3.23Å; L115-P603 HydrophobicContact CD2-CB 3.89Å; L115-P603 HydrophobicContact CG-CB 4.24Å
604F81.1Confident91.4Very high105 Ų10543 Ų4346%0.46122%0.216SC..  trans-117.8149.7168.668.5-89.6000110.1S602 C606 Y670S602-F604 WeakPolarHBondContact O-CD1 3.39Å; S602-F604 PolarHBondContact O-N 3.09Å; S602-F604 VanDerWaalsContact O-N 3.13Å; F604-C606 HydrophobicContact CE2-CB 4.15Å; F604-Y670 PolarHBondContact O-OH 3.47Å
605F88.4Confident91.6Very high15 Ų1541.5 Ų41.57%0.06621%0.21CC..  trans-79.4126.8174.4-175.5-101000110E47 Y48 L106 V109 L120 I607 V610 Y670E47-F605 HydrophobicContact CB-CE2 4.46Å; E47-F605 HydrophobicContact CB-CZ 4.48Å; E47-F605 HydrophobicContact CG-CE2 4.41Å; Y48-F605 HydrophobicContact CD1-CE2 4.34Å; Y48-F605 HydrophobicContact CE1-CD2 4.41Å; Y48-F605 HydrophobicContact CE1-CE2 4.03Å; L106-F605 HydrophobicContact CD2-CD1 4Å; L106-F605 HydrophobicContact CD2-CE1 3.83Å; V109-F605 HydrophobicContact CG1-CB 3.55Å; L120-F605 HydrophobicContact CD1-CD1 4.16Å; L120-F605 HydrophobicContact CD1-CD2 3.8Å; L120-F605 HydrophobicContact CD1-CE1 4.12Å; L120-F605 HydrophobicContact CD1-CE2 3.75Å; L120-F605 HydrophobicContact CD1-CG 4Å; L120-F605 HydrophobicContact CD1-CZ 3.91Å; F605-I607 HydrophobicContact CE1-CB 4.24Å; F605-I607 HydrophobicContact CE1-CD1 4Å; F605-V610 HydrophobicContact CE2-CG2 4.05Å; F605-V610 HydrophobicContact CZ-CG2 3.76Å; F605-Y670 WeakPolarHBondContact CA-OH 3.4Å
606C92.2Very high91.9Very high4 Ų438.8 Ų38.83%0.02719%0.19CC..  trans-109.399-177.3-174.20000109F604 E608 D609 Y670 R674F604-C606 HydrophobicContact CE2-CB 4.15Å; C606-E608 PolarHBondContact O-N 3.35Å; C606-E608 PolarHBondContact SG-OE2 3.43Å; C606-D609 VanDerWaalsContact CB-OD2 3.31Å; C606-D609 WeakPolarHBondContact CB-OD2 3.44Å; C606-D609 PolarHBondContact O-N 2.96Å; C606-D609 PolarHBondContact SG-OD2 3.36Å; C606-Y670 HydrophobicContact CB-CE2 4.31Å; C606-Y670 PolarHBondContact N-OH 3.42Å; C606-R674 PolarHBondContact SG-NH1 3.24Å
607I93.9Very high92.1Very high18 Ų1836.7 Ų36.79%0.09218%0.18CC..Hα-helixtrans-65.3-28.5-176.3-174.158000111.7L106 V423 E424 D425 F605 D609 V610 H611L106-I607 HydrophobicContact CD1-CD1 4.45Å; L106-I607 HydrophobicContact CD1-CG1 4.13Å; L106-I607 HydrophobicContact CD2-CB 4.12Å; L106-I607 HydrophobicContact CD2-CD1 4.17Å; L106-I607 HydrophobicContact CD2-CG1 4.2Å; V423-I607 HydrophobicContact CG1-CD1 3.75Å; E424-I607 VanDerWaalsContact C-CG1 3.43Å; E424-I607 WeakPolarHBondContact O-CD1 3.46Å; E424-I607 WeakPolarHBondContact O-CG1 3.26Å; D425-I607 HydrophobicContact CB-CG1 4.17Å; D425-I607 HydrophobicContact CB-CG2 4.03Å; F605-I607 HydrophobicContact CE1-CB 4.24Å; F605-I607 HydrophobicContact CE1-CD1 4Å; I607-D609 VanDerWaalsContact C-N 3.26Å; I607-D609 PolarHBondContact O-N 2.97Å; I607-V610 HydrophobicContact CD1-CB 4.39Å; I607-V610 PolarHBondContact O-N 3.08Å; I607-H611 WeakPolarHBondContact O-CB 3.23Å; I607-H611 PolarHBondContact O-N 2.82Å
608E95.6Very high92.3Very high61 Ų6136.6 Ų36.629%0.28518%0.18SC..Hα-helixtrans-65-28.7178.7-58.691.7149.300112.6C606 Q612C606-E608 PolarHBondContact O-N 3.35Å; C606-E608 PolarHBondContact SG-OE2 3.43Å; E608-Q612 WeakPolarHBondContact O-CG 3.17Å; E608-Q612 PolarHBondContact O-N 3.22Å; E608-Q612 PolarHBondContact O-NE2 2.9Å
609D95.9Very high92.7Very high1 Ų135 Ų351%0.00517%0.168CC..Hα-helixtrans-76.5-39.9175.5-63.6-34.4000110.8V551 C606 I607 H611 Q612 L613 Y670 R674V551-D609 HydrophobicContact CG2-CB 4.49Å; C606-D609 VanDerWaalsContact CB-OD2 3.31Å; C606-D609 WeakPolarHBondContact CB-OD2 3.44Å; C606-D609 PolarHBondContact O-N 2.96Å; C606-D609 PolarHBondContact SG-OD2 3.36Å; I607-D609 VanDerWaalsContact C-N 3.26Å; I607-D609 PolarHBondContact O-N 2.97Å; D609-H611 VanDerWaalsContact C-N 3.34Å; D609-Q612 PolarHBondContact O-N 3.49Å; D609-L613 WeakPolarHBondContact O-CG 3.28Å; D609-L613 PolarHBondContact O-N 2.98Å; D609-L613 VanDerWaalsContact O-N 3.11Å; D609-Y670 HydrophobicContact CB-CD2 4Å; D609-Y670 HydrophobicContact CB-CE2 3.98Å; D609-R674 WeakPolarHBondContact OD2-CD 3.45Å; D609-R674 IonicContact OD2-CZ 3.55Å; D609-R674 IonicContact OD2-NE 3.81Å; D609-R674 IonicContact OD2-NH1 2.62Å; D609-R674 PolarHBondContact OD2-NH1 2.98Å
610V96.4Very high93.1Very high0 Ų028.3 Ų28.30%014%0.138CC..Hα-helixtrans-68-36.7174.2179.90000111.2E47 V423 F605 I607 Q612 L613 N614 Y670E47-V610 WeakPolarHBondContact O-CG1 3.42Å; V423-V610 HydrophobicContact CB-CG1 4.11Å; V423-V610 HydrophobicContact CG1-CG1 3.75Å; F605-V610 HydrophobicContact CE2-CG2 4.05Å; F605-V610 HydrophobicContact CZ-CG2 3.76Å; I607-V610 HydrophobicContact CD1-CB 4.39Å; I607-V610 PolarHBondContact O-N 3.08Å; V610-Q612 PolarHBondContact O-N 2.98Å; V610-L613 PolarHBondContact O-N 3.02Å; V610-N614 PolarHBondContact O-N 3.04Å; V610-Y670 HydrophobicContact CG2-CD2 3.7Å; V610-Y670 HydrophobicContact CG2-CE2 3.95Å
611H97.5Very high93.6Very high0 Ų019 Ų190%010%0.104CC..Hα-helixtrans-54.7-53.3172.4-175.5116.6000109.9D425 N430 H538 I607 D609 L613 N614 E615D425-H611 HydrophobicContact CB-CB 4.31Å; D425-H611 PolarHBondContact N-ND1 2.83Å; N430-H611 PolarHBondContact O-CE1 3.3Å; H538-H611 AromaticContact CD2-CD2 3.46Å; H538-H611 PolarHBondContact CD2-CD2 3.3Å; H538-H611 VanDerWaalsContact CD2-CD2 3.46Å; H538-H611 AromaticContact CD2-CG 3.84Å; H538-H611 AromaticContact CD2-NE2 3.65Å; H538-H611 AromaticContact NE2-CD2 3.98Å; H538-H611 AromaticContact NE2-CE1 3.91Å; H538-H611 AromaticContact NE2-CG 3.97Å; H538-H611 AromaticContact NE2-ND1 3.9Å; H538-H611 AromaticContact NE2-NE2 3.97Å; I607-H611 WeakPolarHBondContact O-CB 3.23Å; I607-H611 PolarHBondContact O-N 2.82Å; D609-H611 VanDerWaalsContact C-N 3.34Å; H611-L613 VanDerWaalsContact C-N 3.31Å; H611-L613 PolarHBondContact O-N 3.36Å; H611-N614 PolarHBondContact O-N 3.09Å; H611-E615 VanDerWaalsContact CD2-CD 3.49Å; H611-E615 IonicContact CD2-OE1 2.71Å; H611-E615 PolarHBondContact CD2-OE1 2.92Å; H611-E615 IonicContact NE2-OE1 3.32Å; H611-E615 PolarHBondContact NE2-OE1 3.02Å; H611-E615 WeakPolarHBondContact O-CG 3.46Å; H611-E615 PolarHBondContact O-N 2.97Å
612Q98.3Very high94.1Very high1 Ų116.7 Ų16.71%0.0059%0.092CC..Hα-helixtrans-58.3-39.2177.2-76.3171.385.200113.5W532 H538 V551 E608 D609 V610 N614 E615 L616W532-Q612 HydrophobicContact CZ2-CB 3.93Å; W532-Q612 HydrophobicContact CZ2-CG 4.01Å; H538-Q612 HydrophobicContact CB-CG 3.67Å; V551-Q612 HydrophobicContact CB-CB 4.34Å; V551-Q612 HydrophobicContact CG1-CB 4.02Å; V551-Q612 HydrophobicContact CG2-CB 4.13Å; E608-Q612 WeakPolarHBondContact O-CG 3.17Å; E608-Q612 PolarHBondContact O-N 3.22Å; E608-Q612 PolarHBondContact O-NE2 2.9Å; D609-Q612 PolarHBondContact O-N 3.49Å; V610-Q612 PolarHBondContact O-N 2.98Å; Q612-N614 VanDerWaalsContact C-N 3.33Å; Q612-N614 PolarHBondContact O-N 2.88Å; Q612-E615 WeakPolarHBondContact CA-OE2 3.11Å; Q612-E615 WeakPolarHBondContact O-CB 3.46Å; Q612-E615 PolarHBondContact O-N 3.08Å; Q612-L616 PolarHBondContact O-N 3.45Å
613L98.2Very high95Very high2 Ų212.4 Ų12.41%0.016%0.062CC..Hα-helixtrans-63.3-39.5175.4-68.5175000111.9V551 D609 V610 H611 L616 Q617 L669V551-L613 HydrophobicContact CG1-CD2 3.66Å; V551-L613 HydrophobicContact CG1-CG 4.22Å; D609-L613 WeakPolarHBondContact O-CG 3.28Å; D609-L613 PolarHBondContact O-N 2.98Å; D609-L613 VanDerWaalsContact O-N 3.11Å; V610-L613 PolarHBondContact O-N 3.02Å; H611-L613 VanDerWaalsContact C-N 3.31Å; H611-L613 PolarHBondContact O-N 3.36Å; L613-L616 PolarHBondContact O-N 2.89Å; L613-Q617 VanDerWaalsContact O-CG 3.29Å; L613-Q617 WeakPolarHBondContact O-CG 3.38Å; L613-Q617 PolarHBondContact O-N 3.29Å; L613-L669 HydrophobicContact CD1-CB 4.08Å; L613-L669 HydrophobicContact CD2-CB 3.82Å; L613-L669 HydrophobicContact CD2-CD1 4.16Å
614N98.1Very high96Very high2 Ų213.5 Ų13.51%0.0117%0.066CC..Hα-helixtrans-77.8-26.1178.8-74.8-35.9000113.1G49 V422 V423 I432 V610 H611 Q612 Q617 S618G49-N614 WeakPolarHBondContact CA-OD1 3.21Å; V422-N614 HydrophobicContact CG2-CB 4.37Å; V423-N614 PolarHBondContact O-ND2 2.93Å; I432-N614 HydrophobicContact CD1-CB 3.39Å; V610-N614 PolarHBondContact O-N 3.04Å; H611-N614 PolarHBondContact O-N 3.09Å; Q612-N614 VanDerWaalsContact C-N 3.33Å; Q612-N614 PolarHBondContact O-N 2.88Å; N614-Q617 PolarHBondContact OD1-NE2 3.28Å; N614-Q617 VanDerWaalsContact OD1-NE2 3.12Å; N614-S618 WeakPolarHBondContact O-CB 3.29Å; N614-S618 PolarHBondContact O-N 3.44Å; N614-S618 PolarHBondContact O-OG 2.85Å
615E98.4Very high96.8Very high2 Ų28.5 Ų8.51%0.0094%0.044CC..Hα-helixtrans-60.2-51.1164.8-70.3175.2147.700110.6I432 F435 W532 S536 H611 Q612 Q617 S618 M619I432-E615 HydrophobicContact CG1-CG 4.08Å; F435-E615 HydrophobicContact CB-CG 4.46Å; F435-E615 HydrophobicContact CD1-CB 3.94Å; F435-E615 HydrophobicContact CD1-CG 3.93Å; F435-E615 HydrophobicContact CD2-CB 4.36Å; F435-E615 HydrophobicContact CD2-CG 4.04Å; F435-E615 HydrophobicContact CE1-CB 3.69Å; F435-E615 HydrophobicContact CE1-CG 4.19Å; F435-E615 WeakPolarHBondContact CE1-O 3.33Å; F435-E615 HydrophobicContact CE2-CB 4.1Å; F435-E615 HydrophobicContact CE2-CG 4.27Å; F435-E615 HydrophobicContact CG-CB 4.3Å; F435-E615 HydrophobicContact CG-CG 3.88Å; F435-E615 HydrophobicContact CZ-CB 3.8Å; F435-E615 HydrophobicContact CZ-CG 4.37Å; W532-E615 PolarHBondContact NE1-OE2 3.5Å; S536-E615 WeakPolarHBondContact CB-OE2 3.41Å; S536-E615 VanDerWaalsContact OG-CD 3.27Å; S536-E615 PolarHBondContact OG-OE1 3.44Å; S536-E615 PolarHBondContact OG-OE2 2.98Å; H611-E615 VanDerWaalsContact CD2-CD 3.49Å; H611-E615 IonicContact CD2-OE1 2.71Å; H611-E615 PolarHBondContact CD2-OE1 2.92Å; H611-E615 IonicContact NE2-OE1 3.32Å; H611-E615 PolarHBondContact NE2-OE1 3.02Å; H611-E615 WeakPolarHBondContact O-CG 3.46Å; H611-E615 PolarHBondContact O-N 2.97Å; Q612-E615 WeakPolarHBondContact CA-OE2 3.11Å; Q612-E615 WeakPolarHBondContact O-CB 3.46Å; Q612-E615 PolarHBondContact O-N 3.08Å; E615-Q617 VanDerWaalsContact C-N 3.33Å; E615-Q617 PolarHBondContact O-N 3.48Å; E615-S618 PolarHBondContact O-N 3Å; E615-S618 VanDerWaalsContact O-N 3.14Å; E615-M619 WeakPolarHBondContact O-CB 3.44Å; E615-M619 PolarHBondContact O-N 3.18Å
616L98.7Very high97.3Very high0 Ų07.8 Ų7.80%04%0.041CC..Hα-helixtrans-57.9-43.9177.8-80.9159.4000112.1L528 L529 W532 V551 L555 Q612 L613 M619 A620 F663L528-L616 HydrophobicContact CD1-CD2 4.28Å; L528-L616 HydrophobicContact CG-CD2 4.2Å; L529-L616 HydrophobicContact CD2-CD2 4.22Å; W532-L616 HydrophobicContact CB-CD2 3.66Å; W532-L616 HydrophobicContact CB-CG 4.34Å; W532-L616 HydrophobicContact CD2-CD1 4.06Å; W532-L616 HydrophobicContact CD2-CD2 3.5Å; W532-L616 VanDerWaalsContact CD2-CD2 3.5Å; W532-L616 HydrophobicContact CD2-CG 3.64Å; W532-L616 HydrophobicContact CE3-CD1 4.36Å; W532-L616 HydrophobicContact CE3-CD2 3.79Å; W532-L616 HydrophobicContact CE3-CG 4.25Å; W532-L616 HydrophobicContact CG-CD2 3.43Å; W532-L616 VanDerWaalsContact CG-CD2 3.43Å; W532-L616 HydrophobicContact CG-CG 3.65Å; W532-L616 HydrophobicContact CH2-CD1 4.32Å; W532-L616 HydrophobicContact CZ2-CD1 4.05Å; W532-L616 HydrophobicContact CZ2-CG 4.4Å; W532-L616 HydrophobicContact CZ3-CD1 4.48Å; V551-L616 HydrophobicContact CG1-CD1 3.7Å; L555-L616 HydrophobicContact CD2-CB 4.41Å; L555-L616 HydrophobicContact CD2-CD1 3.91Å; L555-L616 HydrophobicContact CD2-CD2 3.79Å; L555-L616 HydrophobicContact CD2-CG 4.25Å; Q612-L616 PolarHBondContact O-N 3.45Å; L613-L616 PolarHBondContact O-N 2.89Å; L616-M619 PolarHBondContact O-N 3.38Å; L616-A620 VanDerWaalsContact O-CB 3.29Å; L616-A620 WeakPolarHBondContact O-CB 3.32Å; L616-A620 PolarHBondContact O-N 3.47Å; L616-F663 HydrophobicContact CB-CE1 3.96Å; L616-F663 HydrophobicContact CB-CZ 4.17Å
617Q98.4Very high97.5Very high2 Ų28 Ų81%0.0094%0.042CC..Hα-helixtrans-61.3-44175.6-72.5-179.253.100112.1G49 Y52 L128 L613 N614 E615 A620 S621 F663G49-Q617 PolarHBondContact O-NE2 3.15Å; G49-Q617 PolarHBondContact O-OE1 2.96Å; Y52-Q617 VanDerWaalsContact CE2-OE1 3.32Å; Y52-Q617 PolarHBondContact OH-OE1 3.25Å; L128-Q617 HydrophobicContact CD1-CB 3.73Å; L128-Q617 HydrophobicContact CD1-CG 3.6Å; L128-Q617 HydrophobicContact CD2-CB 4.3Å; L128-Q617 HydrophobicContact CG-CB 3.94Å; L128-Q617 HydrophobicContact CG-CG 4.18Å; L613-Q617 VanDerWaalsContact O-CG 3.29Å; L613-Q617 WeakPolarHBondContact O-CG 3.38Å; L613-Q617 PolarHBondContact O-N 3.29Å; N614-Q617 PolarHBondContact OD1-NE2 3.28Å; N614-Q617 VanDerWaalsContact OD1-NE2 3.12Å; E615-Q617 VanDerWaalsContact C-N 3.33Å; E615-Q617 PolarHBondContact O-N 3.48Å; Q617-A620 PolarHBondContact O-N 2.99Å; Q617-S621 PolarHBondContact O-N 3.18Å; Q617-S621 PolarHBondContact O-OG 2.91Å; Q617-F663 HydrophobicContact CB-CE1 4.48Å; Q617-F663 HydrophobicContact CB-CE2 4.42Å; Q617-F663 HydrophobicContact CB-CZ 4.28Å; Q617-F663 HydrophobicContact CG-CD1 3.55Å; Q617-F663 HydrophobicContact CG-CD2 3.87Å; Q617-F663 HydrophobicContact CG-CE1 3.55Å; Q617-F663 HydrophobicContact CG-CE2 3.88Å; Q617-F663 HydrophobicContact CG-CG 3.71Å; Q617-F663 HydrophobicContact CG-CZ 3.72Å
618S97.6Very high97.5Very high3 Ų37.5 Ų7.52%0.0214%0.041CC..Hα-helixtrans-64.7-46.2179.3-590000111.2N614 E615 A620 S621 A622N614-S618 WeakPolarHBondContact O-CB 3.29Å; N614-S618 PolarHBondContact O-N 3.44Å; N614-S618 PolarHBondContact O-OG 2.85Å; E615-S618 PolarHBondContact O-N 3Å; E615-S618 VanDerWaalsContact O-N 3.14Å; S618-A620 PolarHBondContact O-N 3.37Å; S618-S621 PolarHBondContact O-N 3.21Å; S618-S621 PolarHBondContact O-OG 2.97Å; S618-A622 WeakPolarHBondContact O-CB 3.48Å; S618-A622 PolarHBondContact O-N 3.3Å
619M98.4Very high97.6Very high5 Ų54.6 Ų4.63%0.0253%0.028CC..Hα-helixtrans-61.3-42.6175.6-174.562.17000111.8F435 M436 M439 L528 L531 E615 L616 S621 A622 L623F435-M619 HydrophobicContact CE1-CB 4.23Å; F435-M619 HydrophobicContact CE1-CE 3.97Å; F435-M619 HydrophobicContact CZ-CB 4.29Å; F435-M619 HydrophobicContact CZ-CE 3.69Å; M436-M619 HydrophobicContact SD-CB 4.49Å; M436-M619 HydrophobicContact SD-CE 4.23Å; M439-M619 HydrophobicContact CE-SD 3.61Å; L528-M619 HydrophobicContact CD1-CB 3.77Å; L528-M619 HydrophobicContact CD1-CG 3.64Å; L531-M619 HydrophobicContact CB-CE 4.2Å; L531-M619 HydrophobicContact CB-CG 4.37Å; L531-M619 HydrophobicContact CB-SD 4.01Å; E615-M619 WeakPolarHBondContact O-CB 3.44Å; E615-M619 PolarHBondContact O-N 3.18Å; L616-M619 PolarHBondContact O-N 3.38Å; M619-S621 PolarHBondContact O-N 3.02Å; M619-A622 PolarHBondContact O-N 3.22Å; M619-L623 HydrophobicContact CG-CD1 4.04Å; M619-L623 HydrophobicContact CG-CG 4.43Å; M619-L623 WeakPolarHBondContact O-CB 3.46Å; M619-L623 WeakPolarHBondContact O-CG 3.47Å; M619-L623 PolarHBondContact O-N 3.07Å; M619-L623 HydrophobicContact SD-CD1 4.45Å; M619-L623 HydrophobicContact SD-CG 4.35Å
620A98.5Very high97.5Very high3 Ų34.6 Ų4.63%0.0253%0.027CC..Hα-helixtrans-61.7-45.8178.300000112L528 L616 Q617 S618 L623 N624 L659 F663L528-A620 HydrophobicContact CD1-CB 3.95Å; L528-A620 HydrophobicContact CD2-CB 3.93Å; L616-A620 VanDerWaalsContact O-CB 3.29Å; L616-A620 WeakPolarHBondContact O-CB 3.32Å; L616-A620 PolarHBondContact O-N 3.47Å; Q617-A620 PolarHBondContact O-N 2.99Å; S618-A620 PolarHBondContact O-N 3.37Å; A620-L623 PolarHBondContact O-N 3.35Å; A620-N624 PolarHBondContact O-N 3.45Å; A620-N624 VanDerWaalsContact O-N 3.09Å; A620-N624 PolarHBondContact O-ND2 3.39Å; A620-L659 HydrophobicContact CB-CD2 3.87Å; A620-F663 HydrophobicContact CB-CE2 3.87Å; A620-F663 HydrophobicContact CB-CZ 4.09Å
621S97.7Very high97.4Very high5 Ų56.3 Ų6.34%0.0354%0.035CC..Hα-helixtrans-63.3-41.2175.965.10000112.4I404 Q617 S618 M619 N624 H625I404-S621 VanDerWaalsContact CD1-O 3.28Å; I404-S621 WeakPolarHBondContact CD1-O 3.11Å; Q617-S621 PolarHBondContact O-N 3.18Å; Q617-S621 PolarHBondContact O-OG 2.91Å; S618-S621 PolarHBondContact O-N 3.21Å; S618-S621 PolarHBondContact O-OG 2.97Å; M619-S621 PolarHBondContact O-N 3.02Å; S621-N624 PolarHBondContact O-N 3.28Å; S621-H625 PolarHBondContact O-N 3.47Å; S621-H625 VanDerWaalsContact O-N 3.09Å
622A97.8Very high97.2Very high5 Ų56.5 Ų6.54%0.0414%0.037CC..Hα-helixtrans-68.3-35.2178.400000112.7M436 M439 L443 S618 M619 H625 L626M436-A622 HydrophobicContact CE-CB 3.38Å; M439-A622 HydrophobicContact CG-CB 3.73Å; L443-A622 HydrophobicContact CD1-CB 4.31Å; S618-A622 WeakPolarHBondContact O-CB 3.48Å; S618-A622 PolarHBondContact O-N 3.3Å; M619-A622 PolarHBondContact O-N 3.22Å; A622-H625 PolarHBondContact O-N 3.14Å; A622-L626 VanDerWaalsContact O-CB 3.3Å; A622-L626 WeakPolarHBondContact O-CB 3.35Å; A622-L626 PolarHBondContact O-N 3.21Å
623L98Very high97Very high0 Ų06.5 Ų6.50%04%0.036CC..Hα-helixtrans-66.9-42.3174.7-79.5171000112.4M439 V527 L528 L531 M619 A620 H625 L626 V627 F656M439-L623 HydrophobicContact CE-CD2 3.81Å; M439-L623 HydrophobicContact CE-CG 4.21Å; V527-L623 HydrophobicContact CG1-CD1 4.26Å; V527-L623 HydrophobicContact CG1-CD2 4.26Å; L528-L623 HydrophobicContact CB-CD1 4.05Å; L528-L623 HydrophobicContact CD1-CD1 4.13Å; L531-L623 HydrophobicContact CD1-CD1 4.22Å; L531-L623 HydrophobicContact CD1-CD2 3.7Å; L531-L623 HydrophobicContact CD1-CG 4.42Å; M619-L623 HydrophobicContact CG-CD1 4.04Å; M619-L623 HydrophobicContact CG-CG 4.43Å; M619-L623 WeakPolarHBondContact O-CB 3.46Å; M619-L623 WeakPolarHBondContact O-CG 3.47Å; M619-L623 PolarHBondContact O-N 3.07Å; M619-L623 HydrophobicContact SD-CD1 4.45Å; M619-L623 HydrophobicContact SD-CG 4.35Å; A620-L623 PolarHBondContact O-N 3.35Å; L623-H625 VanDerWaalsContact C-N 3.32Å; L623-H625 PolarHBondContact O-N 3.09Å; L623-L626 HydrophobicContact CD2-CD2 4.37Å; L623-L626 PolarHBondContact O-N 2.84Å; L623-V627 WeakPolarHBondContact O-CB 3.45Å; L623-V627 WeakPolarHBondContact O-CG2 3.47Å; L623-V627 PolarHBondContact O-N 3.43Å; L623-F656 HydrophobicContact CB-CE1 4.12Å; L623-F656 HydrophobicContact CB-CZ 3.91Å; L623-F656 HydrophobicContact CD1-CE1 4.4Å
624N97.3Very high96.8Very high49 Ų496.5 Ų6.526%0.2624%0.037SC..Hα-helixtrans-56.9-47.9172.2-82-42000111A620 S621 A628 F656A620-N624 PolarHBondContact O-N 3.45Å; A620-N624 VanDerWaalsContact O-N 3.09Å; A620-N624 PolarHBondContact O-ND2 3.39Å; S621-N624 PolarHBondContact O-N 3.28Å; N624-A628 VanDerWaalsContact O-CB 3.28Å; N624-A628 WeakPolarHBondContact O-CB 3.31Å; N624-A628 PolarHBondContact O-N 3Å; N624-F656 WeakPolarHBondContact OD1-CD2 3.29Å; N624-F656 WeakPolarHBondContact OD1-CG 3.24Å
625H97.6Very high96.5Very high1 Ų16.5 Ų6.51%0.0054%0.037CC..Hα-helixtrans-62.6-44.3177.117367.6000112.6L403 I404 L443 S621 A622 L623 A628 L629L403-H625 WeakPolarHBondContact CA-ND1 3.18Å; I404-H625 HydrophobicContact CD1-CB 3.88Å; I404-H625 HydrophobicContact CG1-CB 4.07Å; I404-H625 PolarHBondContact N-ND1 3.35Å; I404-H625 VanDerWaalsContact N-ND1 3.18Å; L443-H625 WeakPolarHBondContact CD2-CD2 3.48Å; S621-H625 PolarHBondContact O-N 3.47Å; S621-H625 VanDerWaalsContact O-N 3.09Å; A622-H625 PolarHBondContact O-N 3.14Å; L623-H625 VanDerWaalsContact C-N 3.32Å; L623-H625 PolarHBondContact O-N 3.09Å; H625-A628 PolarHBondContact O-N 2.8Å; H625-L629 VanDerWaalsContact O-CB 3.29Å; H625-L629 WeakPolarHBondContact O-CB 3.42Å; H625-L629 PolarHBondContact O-N 3.31Å
626L98Very high96.1Very high0 Ų07.1 Ų7.10%04%0.04CC..Hα-helixtrans-59.9-50.7178.5176.663.9000111.2M439 I442 L443 L446 F504 L509 A622 L623 A628 L629 I630M439-L626 HydrophobicContact CE-CD2 4.24Å; M439-L626 HydrophobicContact SD-CD2 4.01Å; I442-L626 HydrophobicContact CG2-CD1 4.23Å; L443-L626 HydrophobicContact CD2-CB 3.85Å; L443-L626 HydrophobicContact CD2-CD1 3.74Å; L443-L626 HydrophobicContact CD2-CG 4.39Å; L446-L626 HydrophobicContact CD1-CD1 3.74Å; F504-L626 HydrophobicContact CE1-CD1 3.83Å; F504-L626 HydrophobicContact CE1-CD2 4.14Å; F504-L626 HydrophobicContact CE1-CG 4.3Å; F504-L626 HydrophobicContact CZ-CD1 3.89Å; L509-L626 HydrophobicContact CD1-CD2 3.89Å; A622-L626 VanDerWaalsContact O-CB 3.3Å; A622-L626 WeakPolarHBondContact O-CB 3.35Å; A622-L626 PolarHBondContact O-N 3.21Å; L623-L626 HydrophobicContact CD2-CD2 4.37Å; L623-L626 PolarHBondContact O-N 2.84Å; L626-A628 VanDerWaalsContact C-N 3.35Å; L626-L629 WeakPolarHBondContact O-CB 3.44Å; L626-L629 PolarHBondContact O-N 2.91Å; L626-I630 HydrophobicContact CD1-CG2 3.97Å; L626-I630 WeakPolarHBondContact O-CG1 3.27Å; L626-I630 PolarHBondContact O-N 2.94Å
627V96.9Very high95.8Very high8 Ų88.6 Ų8.65%0.0485%0.045CC..Hα-helixtrans-61.3-46.1179.31680000110.3F501 F505 L623 L629 I630 E631 N651 I654 F656F501-V627 HydrophobicContact CE2-CG1 4.36Å; F501-V627 HydrophobicContact CZ-CG1 4.24Å; F501-V627 HydrophobicContact CZ-CG2 4.39Å; F505-V627 HydrophobicContact CZ-CG2 3.89Å; L623-V627 WeakPolarHBondContact O-CB 3.45Å; L623-V627 WeakPolarHBondContact O-CG2 3.47Å; L623-V627 PolarHBondContact O-N 3.43Å; V627-L629 PolarHBondContact O-N 3.44Å; V627-I630 PolarHBondContact O-N 2.93Å; V627-E631 HydrophobicContact CG1-CG 4.31Å; V627-E631 VanDerWaalsContact CG1-OE1 3.25Å; V627-E631 WeakPolarHBondContact CG1-OE1 3.49Å; V627-E631 WeakPolarHBondContact O-CB 3.4Å; V627-E631 VanDerWaalsContact O-CG 3.25Å; V627-E631 WeakPolarHBondContact O-CG 3.41Å; V627-E631 PolarHBondContact O-N 3.08Å; V627-N651 VanDerWaalsContact CG1-ND2 3.33Å; V627-N651 WeakPolarHBondContact CG1-ND2 3.25Å; V627-I654 HydrophobicContact CG1-CG2 4.34Å; V627-I654 HydrophobicContact CG2-CG2 4.03Å; V627-F656 HydrophobicContact CB-CE2 4.12Å; V627-F656 HydrophobicContact CG1-CE2 4.47Å; V627-F656 HydrophobicContact CG2-CE2 3.78Å; V627-F656 HydrophobicContact CG2-CZ 3.98Å
628A95.3Very high95.3Very high8 Ų810.6 Ų10.67%0.0666%0.056CC..Hα-helixtrans-60.4-34.5176.900000112.9R397 E402 L403 N624 H625 L626R397-A628 PolarHBondContact NH1-O 2.94Å; E402-A628 HydrophobicContact CB-CB 4.08Å; L403-A628 HydrophobicContact CD2-CB 3.93Å; N624-A628 VanDerWaalsContact O-CB 3.28Å; N624-A628 WeakPolarHBondContact O-CB 3.31Å; N624-A628 PolarHBondContact O-N 3Å; H625-A628 PolarHBondContact O-N 2.8Å; L626-A628 VanDerWaalsContact C-N 3.35Å
629L96.1Very high94.6Very high0 Ų012 Ų120%07%0.065CC..Hα-helixtrans-72.3-53.7177.2-179.760.6000111.5L394 L403 L443 L446 I447 H625 L626 V627 E631 V632 L633L394-L629 HydrophobicContact CD1-CD1 3.64Å; L403-L629 HydrophobicContact CD2-CB 4.02Å; L443-L629 HydrophobicContact CD2-CD2 4.46Å; L446-L629 HydrophobicContact CB-CD2 3.91Å; L446-L629 HydrophobicContact CD1-CD2 3.88Å; I447-L629 HydrophobicContact CD1-CD1 4.24Å; I447-L629 HydrophobicContact CD1-CD2 4.29Å; H625-L629 VanDerWaalsContact O-CB 3.29Å; H625-L629 WeakPolarHBondContact O-CB 3.42Å; H625-L629 PolarHBondContact O-N 3.31Å; L626-L629 WeakPolarHBondContact O-CB 3.44Å; L626-L629 PolarHBondContact O-N 2.91Å; V627-L629 PolarHBondContact O-N 3.44Å; L629-E631 VanDerWaalsContact C-N 3.31Å; L629-E631 PolarHBondContact O-N 2.91Å; L629-V632 PolarHBondContact O-N 3.31Å; L629-V632 VanDerWaalsContact O-N 3.07Å; L629-L633 HydrophobicContact CD1-CD1 3.85Å; L629-L633 HydrophobicContact CD1-CG 4.03Å; L629-L633 HydrophobicContact CD2-CD1 4.34Å; L629-L633 HydrophobicContact CG-CD1 3.75Å; L629-L633 HydrophobicContact CG-CG 4.23Å; L629-L633 WeakPolarHBondContact O-CG 3.35Å; L629-L633 PolarHBondContact O-N 2.93Å
630I95.5Very high93.1Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-70.8-25.4-175.267.1-175.9000113L446 F501 F504 F505 L626 V627 V632 L633 C634L446-I630 HydrophobicContact CD1-CG2 3.77Å; F501-I630 HydrophobicContact CD2-CD1 3.84Å; F501-I630 HydrophobicContact CD2-CG1 3.77Å; F501-I630 HydrophobicContact CE2-CD1 3.55Å; F501-I630 HydrophobicContact CE2-CG1 3.54Å; F501-I630 HydrophobicContact CZ-CD1 4.1Å; F501-I630 HydrophobicContact CZ-CG1 4.5Å; F504-I630 HydrophobicContact CD1-CD1 3.8Å; F504-I630 HydrophobicContact CD1-CG2 4.35Å; F504-I630 HydrophobicContact CD2-CG2 4.37Å; F504-I630 HydrophobicContact CE1-CD1 4.23Å; F504-I630 HydrophobicContact CE1-CG2 4.17Å; F504-I630 HydrophobicContact CE2-CG2 4.2Å; F504-I630 HydrophobicContact CG-CD1 4.35Å; F504-I630 HydrophobicContact CG-CG2 4.47Å; F504-I630 HydrophobicContact CZ-CG2 4.09Å; F505-I630 HydrophobicContact CD2-CD1 4.38Å; F505-I630 HydrophobicContact CE2-CD1 3.72Å; L626-I630 HydrophobicContact CD1-CG2 3.97Å; L626-I630 WeakPolarHBondContact O-CG1 3.27Å; L626-I630 PolarHBondContact O-N 2.94Å; V627-I630 PolarHBondContact O-N 2.93Å; I630-V632 PolarHBondContact O-N 3.09Å; I630-L633 PolarHBondContact O-N 3.41Å; I630-C634 VanDerWaalsContact O-CB 3.32Å; I630-C634 WeakPolarHBondContact O-CB 3.25Å; I630-C634 PolarHBondContact O-N 2.91Å; I630-C634 PolarHBondContact O-SG 3.32Å
631E93.2Very high91.4Very high37 Ų3722.9 Ų22.917%0.17312%0.123CC..Hα-helixtrans-60-29.1169.8-82175.9-170.800112.7R397 F501 V627 L629 P635 N651R397-E631 IonicContact CZ-OE2 3.35Å; R397-E631 IonicContact NH1-OE2 3.62Å; R397-E631 PolarHBondContact NH1-OE2 3.28Å; R397-E631 IonicContact NH2-OE2 2.63Å; R397-E631 PolarHBondContact NH2-OE2 2.68Å; F501-E631 HydrophobicContact CD2-CG 4.45Å; F501-E631 HydrophobicContact CE2-CG 3.95Å; V627-E631 HydrophobicContact CG1-CG 4.31Å; V627-E631 VanDerWaalsContact CG1-OE1 3.25Å; V627-E631 WeakPolarHBondContact CG1-OE1 3.49Å; V627-E631 WeakPolarHBondContact O-CB 3.4Å; V627-E631 VanDerWaalsContact O-CG 3.25Å; V627-E631 WeakPolarHBondContact O-CG 3.41Å; V627-E631 PolarHBondContact O-N 3.08Å; L629-E631 VanDerWaalsContact C-N 3.31Å; L629-E631 PolarHBondContact O-N 2.91Å; E631-P635 WeakPolarHBondContact O-CD 3.42Å; E631-P635 VanDerWaalsContact O-CG 3.23Å; E631-P635 WeakPolarHBondContact O-CG 3.44Å; E631-N651 HydrophobicContact CG-CB 4.22Å; E631-N651 WeakPolarHBondContact OE1-CB 3.27Å; E631-N651 PolarHBondContact OE1-ND2 2.98Å
632V93.1Very high89.4Confident4 Ų429 Ų292%0.02416%0.155CC..Hα-helixtrans-86.7-43.8173.1-178.20000110.8P391 E393 L394 L629 I630 P635 F636P391-V632 HydrophobicContact CB-CG1 4.3Å; E393-V632 HydrophobicContact CB-CG1 4.46Å; E393-V632 HydrophobicContact CB-CG2 4.49Å; E393-V632 HydrophobicContact CG-CG2 3.88Å; L394-V632 HydrophobicContact CB-CG1 4.12Å; L394-V632 HydrophobicContact CD1-CB 4.32Å; L394-V632 HydrophobicContact CD1-CG1 4.32Å; L629-V632 PolarHBondContact O-N 3.31Å; L629-V632 VanDerWaalsContact O-N 3.07Å; I630-V632 PolarHBondContact O-N 3.09Å; V632-P635 WeakPolarHBondContact O-CD 3.38Å; V632-P635 WeakPolarHBondContact O-CG 3.38Å; V632-F636 WeakPolarHBondContact O-CB 3.36Å; V632-F636 PolarHBondContact O-N 3.41Å
633L94.2Very high87.4Confident0 Ų035.5 Ų35.50%019%0.185CC..Hα-helixtrans-70.3-40-174-63.3-176.6000113.5L446 L450 P491 L629 I630 F636 Y637L446-L633 HydrophobicContact CB-CD1 4.16Å; L446-L633 HydrophobicContact CD2-CD1 4.07Å; L450-L633 HydrophobicContact CD1-CD2 3.91Å; L450-L633 HydrophobicContact CD2-CD2 4.21Å; L450-L633 HydrophobicContact CG-CD2 4.44Å; P491-L633 HydrophobicContact CG-CB 3.68Å; L629-L633 HydrophobicContact CD1-CD1 3.85Å; L629-L633 HydrophobicContact CD1-CG 4.03Å; L629-L633 HydrophobicContact CD2-CD1 4.34Å; L629-L633 HydrophobicContact CG-CD1 3.75Å; L629-L633 HydrophobicContact CG-CG 4.23Å; L629-L633 WeakPolarHBondContact O-CG 3.35Å; L629-L633 PolarHBondContact O-N 2.93Å; I630-L633 PolarHBondContact O-N 3.41Å; L633-F636 HydrophobicContact CD2-CD1 4.47Å; L633-F636 PolarHBondContact O-N 2.9Å; L633-Y637 HydrophobicContact CB-CD2 4.2Å; L633-Y637 HydrophobicContact CB-CE2 4.27Å; L633-Y637 HydrophobicContact CD2-CE2 4.31Å; L633-Y637 VanDerWaalsContact O-CD2 3.25Å; L633-Y637 WeakPolarHBondContact O-CD2 3.36Å; L633-Y637 PolarHBondContact O-N 2.99Å
634C93.6Very high85.8Confident2 Ų239.1 Ų39.11%0.01420%0.201CC..Hα-helixtrans-56.1-53.9-179.3-660000112.3P497 I630 I638P497-C634 HydrophobicContact CB-CB 4.41Å; I630-C634 VanDerWaalsContact O-CB 3.32Å; I630-C634 WeakPolarHBondContact O-CB 3.25Å; I630-C634 PolarHBondContact O-N 2.91Å; I630-C634 PolarHBondContact O-SG 3.32Å; C634-I638 WeakPolarHBondContact O-CD1 3.16Å; C634-I638 WeakPolarHBondContact O-CG1 3.35Å; C634-I638 PolarHBondContact O-N 2.99Å
635P91.2Very high84.1Confident3 Ų340.9 Ų40.92%0.01921%0.21CC..Hα-helixtrans-67.3-38.2176.124.5-32.2000113P497 E631 V632 Y637 I638 S639 F644 T646 L649P497-P635 HydrophobicContact CB-CB 3.99Å; P497-P635 HydrophobicContact CG-CB 3.85Å; E631-P635 WeakPolarHBondContact O-CD 3.42Å; E631-P635 VanDerWaalsContact O-CG 3.23Å; E631-P635 WeakPolarHBondContact O-CG 3.44Å; V632-P635 WeakPolarHBondContact O-CD 3.38Å; V632-P635 WeakPolarHBondContact O-CG 3.38Å; P635-Y637 PolarHBondContact O-N 3Å; P635-I638 PolarHBondContact O-N 3.07Å; P635-I638 VanDerWaalsContact O-N 3.11Å; P635-S639 WeakPolarHBondContact O-CB 3.23Å; P635-S639 PolarHBondContact O-N 3.31Å; P635-S639 PolarHBondContact O-OG 3.38Å; P635-S639 VanDerWaalsContact O-OG 3.08Å; P635-F644 HydrophobicContact CB-CD1 3.77Å; P635-F644 HydrophobicContact CB-CE1 3.29Å; P635-F644 HydrophobicContact CB-CZ 3.8Å; P635-F644 HydrophobicContact CG-CD1 4.24Å; P635-F644 HydrophobicContact CG-CE1 3.96Å; P635-T646 HydrophobicContact CG-CG2 3.87Å; P635-L649 HydrophobicContact CB-CD1 3.98Å; P635-L649 HydrophobicContact CG-CD1 4.1Å
636F91.2Very high82.4Confident15 Ų1541.1 Ų41.17%0.06621%0.212CC..Hα-helixtrans-56.8-46.3179.3171.1-108.4000112.6P391 L450 H453 L454 V632 L633 I638 N640P391-F636 HydrophobicContact CB-CD2 4.49Å; P391-F636 HydrophobicContact CG-CD1 4.45Å; P391-F636 HydrophobicContact CG-CD2 3.69Å; P391-F636 HydrophobicContact CG-CE2 3.8Å; P391-F636 HydrophobicContact CG-CG 4.05Å; P391-F636 HydrophobicContact CG-CZ 4.23Å; L450-F636 HydrophobicContact CD1-CD1 4.24Å; L450-F636 HydrophobicContact CD1-CE1 3.67Å; L450-F636 HydrophobicContact CD1-CZ 4.39Å; H453-F636 AromaticContact CD2-CE1 3.67Å; H453-F636 AromaticContact CD2-CZ 3.89Å; L454-F636 HydrophobicContact CD2-CZ 3.8Å; V632-F636 WeakPolarHBondContact O-CB 3.36Å; V632-F636 PolarHBondContact O-N 3.41Å; L633-F636 HydrophobicContact CD2-CD1 4.47Å; L633-F636 PolarHBondContact O-N 2.9Å; F636-I638 VanDerWaalsContact C-N 3.28Å; F636-I638 PolarHBondContact O-N 3.4Å; F636-N640 PolarHBondContact O-N 3.3Å
637Y91.7Very high80.5Confident31 Ų3144.1 Ų44.112%0.12223%0.232CC..Hα-helixtrans-72.4-17.9178.2-81.6-70.8000114.4G449 L450 H453 K490 P491 L633 P635G449-Y637 PolarHBondContact O-OH 3.01Å; L450-Y637 VanDerWaalsContact CA-OH 3.27Å; L450-Y637 WeakPolarHBondContact CA-OH 3.39Å; L450-Y637 PolarHBondContact N-OH 2.96Å; H453-Y637 HydrophobicContact CB-CE1 3.83Å; H453-Y637 AromaticContact CD2-CE1 3.67Å; H453-Y637 AromaticContact CG-CE1 3.54Å; H453-Y637 AromaticContact ND1-CE1 3.96Å; K490-Y637 HydrophobicContact CB-CE1 4.5Å; K490-Y637 HydrophobicContact CB-CE2 4.38Å; K490-Y637 HydrophobicContact CD-CD1 4.18Å; K490-Y637 HydrophobicContact CD-CE1 3.58Å; K490-Y637 HydrophobicContact CG-CE1 3.97Å; K490-Y637 HydrophobicContact CG-CE2 4.35Å; P491-Y637 HydrophobicContact CG-CD2 4.09Å; L633-Y637 HydrophobicContact CB-CD2 4.2Å; L633-Y637 HydrophobicContact CB-CE2 4.27Å; L633-Y637 HydrophobicContact CD2-CE2 4.31Å; L633-Y637 VanDerWaalsContact O-CD2 3.25Å; L633-Y637 WeakPolarHBondContact O-CD2 3.36Å; L633-Y637 PolarHBondContact O-N 2.99Å; P635-Y637 PolarHBondContact O-N 3Å
638I89.2Confident78.5Confident44 Ų4451.1 Ų51.123%0.22626%0.264CS..Hα-helixtrans-91.2-40.1178.1-69171.4000111T496 P497 C634 P635 F636T496-I638 VanDerWaalsContact C-CD1 3.45Å; P497-I638 HydrophobicContact CB-CD1 4.37Å; P497-I638 HydrophobicContact CG-CD1 4.13Å; C634-I638 WeakPolarHBondContact O-CD1 3.16Å; C634-I638 WeakPolarHBondContact O-CG1 3.35Å; C634-I638 PolarHBondContact O-N 2.99Å; P635-I638 PolarHBondContact O-N 3.07Å; P635-I638 VanDerWaalsContact O-N 3.11Å; F636-I638 VanDerWaalsContact C-N 3.28Å; F636-I638 PolarHBondContact O-N 3.4Å
639S82Confident76.9Confident32 Ų3252.7 Ų52.722%0.22427%0.271CS..Hα-helixtrans-76.7-23.8-172.865.90000113.3P635 L641P635-S639 WeakPolarHBondContact O-CB 3.23Å; P635-S639 PolarHBondContact O-N 3.31Å; P635-S639 PolarHBondContact O-OG 3.38Å; P635-S639 VanDerWaalsContact O-OG 3.08Å; S639-L641 WeakPolarHBondContact O-CG 3.24Å; S639-L641 PolarHBondContact O-N 3.35Å; S639-L641 PolarHBondContact OG-N 3.27Å
640N66Low75.5Confident132 Ų13261.4 Ų61.471%0.70631%0.309SS*.  trans50.118.9-170.1-74.6-21000113.5F636F636-N640 PolarHBondContact O-N 3.3Å
641L63Low74.7Confident105 Ų10563 Ų6355%0.5532%0.317SS..  trans-108.3129.6-179.4-70.2172.2000109.6S639 E643S639-L641 WeakPolarHBondContact O-CG 3.24Å; S639-L641 PolarHBondContact O-N 3.35Å; S639-L641 PolarHBondContact OG-N 3.27Å; L641-E643 PolarHBondContact O-N 3.04Å
642D56.7Low74.3Confident134 Ų13463.6 Ų63.672%0.71733%0.326SS*.SBendtrans-64.2-25.2175.9-66.1-35.5000112.6
643E55.7Low74.3Confident141 Ų14164.4 Ų64.466%0.65933%0.329SS*.  trans-112.999177.5-62.7-160.4143.300110.3K392 L641K392-E643 IonicContact NZ-OE1 3.85Å; K392-E643 PolarHBondContact NZ-OE1 3.46Å; L641-E643 PolarHBondContact O-N 3.04Å
644F63.7Low74.4Confident76 Ų7664.7 Ų64.733%0.33333%0.33SS..  trans-131.1114.7176.1-168.8-89.5000110P635 T646 L649P635-F644 HydrophobicContact CB-CD1 3.77Å; P635-F644 HydrophobicContact CB-CE1 3.29Å; P635-F644 HydrophobicContact CB-CZ 3.8Å; P635-F644 HydrophobicContact CG-CD1 4.24Å; P635-F644 HydrophobicContact CG-CE1 3.96Å; F644-T646 HydrophobicContact CD1-CG2 3.79Å; F644-T646 HydrophobicContact CE1-CG2 4.03Å; F644-T646 PolarHBondContact O-N 2.96Å; F644-L649 HydrophobicContact CE1-CD1 3.33Å; F644-L649 HydrophobicContact CZ-CD1 3.73Å
645D61.7Low74.5Confident86 Ų8666.3 Ų66.346%0.4634%0.342SS..  trans-81.1109.8175.5-175.712.2000110.1S647 H648D645-S647 VanDerWaalsContact C-N 3.3Å; D645-S647 WeakPolarHBondContact OD1-CB 3.44Å; D645-S647 PolarHBondContact OD1-N 2.98Å; D645-S647 PolarHBondContact OD1-OG 3.45Å; D645-S647 PolarHBondContact OD2-OG 3.47Å; D645-H648 IonicContact OD2-NE2 3.09Å
646T62Low74.8Confident6 Ų667.6 Ų67.64%0.03735%0.347CS..  trans-861.1175.270.30000113E393 P635 F644 H648 L649E393-T646 VanDerWaalsContact CG-OG1 3.3Å; E393-T646 WeakPolarHBondContact CG-OG1 3.42Å; P635-T646 HydrophobicContact CG-CG2 3.87Å; F644-T646 HydrophobicContact CD1-CG2 3.79Å; F644-T646 HydrophobicContact CE1-CG2 4.03Å; F644-T646 PolarHBondContact O-N 2.96Å; T646-H648 PolarHBondContact O-N 3.27Å; T646-L649 HydrophobicContact CG2-CD1 4.44Å; T646-L649 PolarHBondContact O-N 2.77Å
647S57.9Low75.1Confident62 Ų6267.1 Ų67.143%0.43435%0.345SS..THydrogen-bonded Turntrans-54.9-26.9-178.774.50000113.1D645D645-S647 VanDerWaalsContact C-N 3.3Å; D645-S647 WeakPolarHBondContact OD1-CB 3.44Å; D645-S647 PolarHBondContact OD1-N 2.98Å; D645-S647 PolarHBondContact OD1-OG 3.45Å; D645-S647 PolarHBondContact OD2-OG 3.47Å
648H56.2Low75.3Confident156 Ų15667.6 Ų67.672%0.72235%0.352SS*.THydrogen-bonded Turntrans-84.2-24.4176.8-53.2-45.3000114.1D645 T646 K650D645-H648 IonicContact OD2-NE2 3.09Å; T646-H648 PolarHBondContact O-N 3.27Å; H648-K650 VanDerWaalsContact C-N 3.28Å; H648-K650 PolarHBondContact O-N 2.86Å
649L61.8Low75.8Confident41 Ų4165.7 Ų65.722%0.21534%0.342CS..  trans-79.678.3178.5-80.9141.7000109.8P497 E498 P635 F644 T646 N651P497-L649 HydrophobicContact CB-CD2 4.05Å; P497-L649 HydrophobicContact CG-CD2 4.4Å; E498-L649 VanDerWaalsContact OE1-CD2 3.26Å; E498-L649 WeakPolarHBondContact OE1-CD2 3.33Å; P635-L649 HydrophobicContact CB-CD1 3.98Å; P635-L649 HydrophobicContact CG-CD1 4.1Å; F644-L649 HydrophobicContact CE1-CD1 3.33Å; F644-L649 HydrophobicContact CZ-CD1 3.73Å; T646-L649 HydrophobicContact CG2-CD1 4.44Å; T646-L649 PolarHBondContact O-N 2.77Å; L649-N651 PolarHBondContact O-N 2.71Å
650K66.1Low76.5Confident183 Ų18365.1 Ų65.180%0.79634%0.335SS*.  trans-72.2116.8166.6-72.2-174.6178.7179.80108.6H648 S652H648-K650 VanDerWaalsContact C-N 3.28Å; H648-K650 PolarHBondContact O-N 2.86Å; K650-S652 PolarHBondContact O-N 2.71Å
651N78.1Confident77.9Confident32 Ų3259.4 Ų59.417%0.17131%0.305CS..  trans-55.7111167.5176.9-10.9000109.8F501 V627 E631 L649 F653 I654F501-N651 VanDerWaalsContact CZ-ND2 3.26Å; F501-N651 WeakPolarHBondContact CZ-ND2 3.26Å; V627-N651 VanDerWaalsContact CG1-ND2 3.33Å; V627-N651 WeakPolarHBondContact CG1-ND2 3.25Å; E631-N651 HydrophobicContact CG-CB 4.22Å; E631-N651 WeakPolarHBondContact OE1-CB 3.27Å; E631-N651 PolarHBondContact OE1-ND2 2.98Å; L649-N651 PolarHBondContact O-N 2.71Å; N651-F653 PolarHBondContact OD1-N 2.92Å; N651-I654 WeakPolarHBondContact ND2-CG2 3.43Å; N651-I654 PolarHBondContact ND2-O 2.84Å; N651-I654 PolarHBondContact OD1-N 3.17Å; N651-I654 PolarHBondContact OD1-O 3.03Å
652S85.1Confident79.6Confident50 Ų5054.6 Ų54.635%0.3528%0.279SS..  trans-95.5-2.2-178.159.20000112.4K518 L520 K650K518-S652 PolarHBondContact NZ-O 3.04Å; L520-S652 WeakPolarHBondContact CD1-O 2.95Å; L520-S652 WeakPolarHBondContact CD2-O 3.06Å; K650-S652 PolarHBondContact O-N 2.71Å
653F93.5Very high81.6Confident22 Ų2248.3 Ų48.310%0.09625%0.246CC..SBendtrans-102.4-38.2-169.5-55.4-64.2000112.9E498 F501 V502 L513 K515 Q523 N651E498-F653 HydrophobicContact CB-CE2 3.68Å; E498-F653 HydrophobicContact CB-CZ 3.73Å; E498-F653 HydrophobicContact CG-CE2 4Å; E498-F653 HydrophobicContact CG-CZ 4.19Å; F501-F653 HydrophobicContact CD1-CB 4.4Å; F501-F653 AromaticContact CD1-CD2 3.71Å; F501-F653 HydrophobicContact CD1-CD2 3.71Å; F501-F653 HydrophobicContact CD1-CE2 4.5Å; F501-F653 HydrophobicContact CD1-CG 4.36Å; F501-F653 HydrophobicContact CE1-CB 4.08Å; F501-F653 HydrophobicContact CE1-CD2 4.13Å; F501-F653 HydrophobicContact CG-CD2 4.45Å; V502-F653 HydrophobicContact CG2-CD1 3.88Å; V502-F653 HydrophobicContact CG2-CD2 4.06Å; V502-F653 HydrophobicContact CG2-CE1 3.9Å; V502-F653 HydrophobicContact CG2-CE2 4.08Å; V502-F653 HydrophobicContact CG2-CG 3.97Å; V502-F653 HydrophobicContact CG2-CZ 4.01Å; L513-F653 HydrophobicContact CD1-CB 4.1Å; K515-F653 HydrophobicContact CB-CD1 4.44Å; K515-F653 HydrophobicContact CB-CE1 4.2Å; K515-F653 HydrophobicContact CG-CD1 4.42Å; K515-F653 HydrophobicContact CG-CE1 4.12Å; Q523-F653 PolarHBondContact NE2-O 3.02Å; N651-F653 PolarHBondContact OD1-N 2.92Å
654I95.8Very high83.6Confident5 Ų541.9 Ų41.93%0.02622%0.217CC..  trans-148.8137.9-174.8-167170.1000110.6F501 F505 V527 V627 N651 F656F501-I654 HydrophobicContact CE1-CG2 3.96Å; F501-I654 HydrophobicContact CZ-CG2 3.74Å; F505-I654 HydrophobicContact CE1-CD1 4.1Å; F505-I654 HydrophobicContact CZ-CD1 4.2Å; F505-I654 HydrophobicContact CZ-CG2 4.3Å; V527-I654 HydrophobicContact CB-CD1 4.04Å; V527-I654 HydrophobicContact CG1-CD1 4.2Å; V527-I654 HydrophobicContact CG2-CD1 3.88Å; V627-I654 HydrophobicContact CG1-CG2 4.34Å; V627-I654 HydrophobicContact CG2-CG2 4.03Å; N651-I654 WeakPolarHBondContact ND2-CG2 3.43Å; N651-I654 PolarHBondContact ND2-O 2.84Å; N651-I654 PolarHBondContact OD1-N 3.17Å; N651-I654 PolarHBondContact OD1-O 3.03Å; I654-F656 HydrophobicContact CD1-CE1 4Å; I654-F656 HydrophobicContact CD1-CZ 3.72Å; I654-F656 HydrophobicContact CG1-CE1 4.21Å; I654-F656 HydrophobicContact CG1-CE2 4.44Å; I654-F656 HydrophobicContact CG1-CZ 3.96Å
655S95.7Very high85.2Confident37 Ų3738.6 Ų38.626%0.25920%0.203SC..  trans-137.5161.7174.31780000107.2L520 E521 G524L520-S655 PolarHBondContact O-N 3.08Å; E521-S655 WeakPolarHBondContact CA-O 3.47Å; E521-S655 WeakPolarHBondContact OE1-CB 3.46Å; E521-S655 PolarHBondContact OE1-OG 3.3Å; G524-S655 VanDerWaalsContact CA-O 3.29Å; G524-S655 WeakPolarHBondContact CA-O 3.42Å
656F97Very high86.9Confident29 Ų2934.6 Ų34.613%0.12718%0.182CC..  trans-125138.3178.9-56.9-80.3000109.7L623 N624 V627 I654L623-F656 HydrophobicContact CB-CE1 4.12Å; L623-F656 HydrophobicContact CB-CZ 3.91Å; L623-F656 HydrophobicContact CD1-CE1 4.4Å; N624-F656 WeakPolarHBondContact OD1-CD2 3.29Å; N624-F656 WeakPolarHBondContact OD1-CG 3.24Å; V627-F656 HydrophobicContact CB-CE2 4.12Å; V627-F656 HydrophobicContact CG1-CE2 4.47Å; V627-F656 HydrophobicContact CG2-CE2 3.78Å; V627-F656 HydrophobicContact CG2-CZ 3.98Å; I654-F656 HydrophobicContact CD1-CE1 4Å; I654-F656 HydrophobicContact CD1-CZ 3.72Å; I654-F656 HydrophobicContact CG1-CE1 4.21Å; I654-F656 HydrophobicContact CG1-CE2 4.44Å; I654-F656 HydrophobicContact CG1-CZ 3.96Å
657Y97.6Very high88.5Confident6 Ų634.6 Ų34.62%0.02418%0.181CC..  trans-56.7144.5165.2-68.6-63.6000109.5E521 L525 H563 L659 M661 L662E521-Y657 HydrophobicContact CB-CD1 3.74Å; E521-Y657 HydrophobicContact CB-CD2 3.95Å; E521-Y657 HydrophobicContact CB-CE1 3.45Å; E521-Y657 VanDerWaalsContact CB-CE1 3.45Å; E521-Y657 HydrophobicContact CB-CE2 3.71Å; E521-Y657 HydrophobicContact CB-CG 3.98Å; E521-Y657 VanDerWaalsContact CB-CZ 3.45Å; E521-Y657 HydrophobicContact CG-CD1 3.93Å; E521-Y657 HydrophobicContact CG-CE1 3.9Å; E521-Y657 HydrophobicContact CG-CG 4.41Å; L525-Y657 HydrophobicContact CD2-CE2 4.3Å; H563-Y657 HydrophobicContact CB-CD1 4.37Å; H563-Y657 HydrophobicContact CB-CE1 3.88Å; H563-Y657 AromaticContact CD2-CD1 3.93Å; H563-Y657 AromaticContact CD2-CE1 3.38Å; H563-Y657 WeakPolarHBondContact CD2-CE1 3.36Å; H563-Y657 AromaticContact CG-CE1 3.51Å; H563-Y657 AromaticContact NE2-CE1 3.96Å; Y657-L659 PolarHBondContact O-N 3.01Å; Y657-M661 HydrophobicContact CD1-SD 3.62Å; Y657-M661 HydrophobicContact CE1-SD 4.36Å; Y657-M661 HydrophobicContact CG-SD 4.17Å; Y657-L662 HydrophobicContact CD2-CD2 3.85Å; Y657-L662 HydrophobicContact CG-CD2 4.24Å
658P97.2Very high90.4Very high41 Ų4131.7 Ų31.727%0.26616%0.161SC..  trans-50.4142.5172.4-26.634.2000111.1E135 W660 M661 L662E135-P658 WeakPolarHBondContact OE1-CA 3.25Å; P658-W660 VanDerWaalsContact C-N 3.25Å; P658-W660 HydrophobicContact CB-CD2 4.33Å; P658-W660 HydrophobicContact CB-CG 4.28Å; P658-W660 HydrophobicContact CB-CZ2 4.33Å; P658-W660 HydrophobicContact CG-CZ2 4.4Å; P658-W660 PolarHBondContact O-N 2.91Å; P658-M661 HydrophobicContact CB-CB 4.28Å; P658-M661 WeakPolarHBondContact O-CA 3.49Å; P658-M661 VanDerWaalsContact O-CB 3.25Å; P658-M661 WeakPolarHBondContact O-CB 3.47Å; P658-M661 PolarHBondContact O-N 2.95Å; P658-L662 PolarHBondContact O-N 3.36Å
659L98.4Very high92.5Very high4 Ų424.5 Ų24.52%0.02113%0.128CC..Hα-helixtrans-62.4-35.7-176.8-68170.7000111.6L128 H131 V132 E135 A620 Y657 M661 L662 F663L128-L659 HydrophobicContact CD1-CB 4.15Å; L128-L659 HydrophobicContact CD1-CD1 4.43Å; L128-L659 HydrophobicContact CD1-CD2 4.06Å; L128-L659 HydrophobicContact CD1-CG 4.45Å; L128-L659 HydrophobicContact CD2-CD1 4.21Å; H131-L659 HydrophobicContact CB-CD1 3.5Å; V132-L659 HydrophobicContact CG2-CB 4.12Å; E135-L659 WeakPolarHBondContact OE1-CB 3.25Å; E135-L659 PolarHBondContact OE1-N 3.3Å; E135-L659 PolarHBondContact OE2-N 3.43Å; E135-L659 VanDerWaalsContact OE2-N 3.15Å; A620-L659 HydrophobicContact CB-CD2 3.87Å; Y657-L659 PolarHBondContact O-N 3.01Å; L659-M661 PolarHBondContact O-N 3.3Å; L659-L662 HydrophobicContact CD2-CD1 4.42Å; L659-L662 PolarHBondContact O-N 2.89Å; L659-F663 HydrophobicContact CD2-CD2 4.37Å; L659-F663 HydrophobicContact CD2-CE2 4.07Å; L659-F663 PolarHBondContact O-N 3.48Å
660W97Very high94.1Very high19 Ų1922.7 Ų22.77%0.07212%0.118CC..Hα-helixtrans-64-21.2172.467.8-103000113.4L53 K56 V132 E135 E139 V562 P658 A664L53-W660 HydrophobicContact CD1-CE3 3.89Å; L53-W660 HydrophobicContact CD1-CZ3 4.03Å; K56-W660 HydrophobicContact CD-CD2 3.66Å; K56-W660 HydrophobicContact CD-CE3 3.94Å; K56-W660 HydrophobicContact CD-CG 3.94Å; K56-W660 HydrophobicContact CD-CZ2 4.41Å; K56-W660 HydrophobicContact CD-CZ3 4.45Å; V132-W660 HydrophobicContact CG1-CB 3.9Å; V132-W660 HydrophobicContact CG2-CB 4.2Å; E135-W660 PolarHBondContact OE2-N 3.37Å; E139-W660 PolarHBondContact OE1-NE1 3.39Å; V562-W660 HydrophobicContact CG1-CZ3 4.49Å; P658-W660 VanDerWaalsContact C-N 3.25Å; P658-W660 HydrophobicContact CB-CD2 4.33Å; P658-W660 HydrophobicContact CB-CG 4.28Å; P658-W660 HydrophobicContact CB-CZ2 4.33Å; P658-W660 HydrophobicContact CG-CZ2 4.4Å; P658-W660 PolarHBondContact O-N 2.91Å; W660-A664 WeakPolarHBondContact O-CA 3.45Å; W660-A664 WeakPolarHBondContact O-CB 3.41Å; W660-A664 PolarHBondContact O-N 2.99Å
661M96.7Very high95.6Very high13 Ų1314 Ų146%0.0648%0.081CC..Hα-helixtrans-86.9-47.5176.1179.2179.1-6500111.1V562 H563 C566 Y657 P658 L659 F663V562-M661 HydrophobicContact CB-CG 4.1Å; V562-M661 HydrophobicContact CG1-CB 4.42Å; V562-M661 HydrophobicContact CG1-CG 3.73Å; H563-M661 HydrophobicContact CB-SD 3.64Å; C566-M661 HydrophobicContact CB-CE 4.46Å; Y657-M661 HydrophobicContact CD1-SD 3.62Å; Y657-M661 HydrophobicContact CE1-SD 4.36Å; Y657-M661 HydrophobicContact CG-SD 4.17Å; P658-M661 HydrophobicContact CB-CB 4.28Å; P658-M661 WeakPolarHBondContact O-CA 3.49Å; P658-M661 VanDerWaalsContact O-CB 3.25Å; P658-M661 WeakPolarHBondContact O-CB 3.47Å; P658-M661 PolarHBondContact O-N 2.95Å; L659-M661 PolarHBondContact O-N 3.3Å; M661-F663 VanDerWaalsContact C-N 3.3Å; M661-F663 PolarHBondContact O-N 3.39Å
662L98Very high96.5Very high4 Ų412.5 Ų12.52%0.0217%0.072CC..Hα-helixtrans-56.9-45.2176-72.8177.2000111.6L525 L528 L555 A559 Y657 P658 L659L525-L662 HydrophobicContact CD1-CD2 4.1Å; L528-L662 HydrophobicContact CD2-CD1 4.38Å; L555-L662 WeakPolarHBondContact CD1-O 3.48Å; A559-L662 HydrophobicContact CB-CD2 3.81Å; Y657-L662 HydrophobicContact CD2-CD2 3.85Å; Y657-L662 HydrophobicContact CG-CD2 4.24Å; P658-L662 PolarHBondContact O-N 3.36Å; L659-L662 HydrophobicContact CD2-CD1 4.42Å; L659-L662 PolarHBondContact O-N 2.89Å
663F98.3Very high97.1Very high1 Ų110.1 Ų10.10%0.0046%0.056CC..THydrogen-bonded Turntrans-113.132.9-173.3-55.1-73.9000112.1Y52 L128 L555 L616 Q617 A620 L659 M661 S665 L669Y52-F663 HydrophobicContact CD2-CB 3.54Å; Y52-F663 VanDerWaalsContact CD2-O 3.26Å; Y52-F663 WeakPolarHBondContact CD2-O 3.15Å; Y52-F663 HydrophobicContact CE2-CB 3.82Å; L128-F663 HydrophobicContact CD1-CD2 3.45Å; L128-F663 VanDerWaalsContact CD1-CD2 3.45Å; L128-F663 HydrophobicContact CD1-CE2 3.82Å; L128-F663 HydrophobicContact CD1-CG 4.21Å; L555-F663 HydrophobicContact CD1-CD1 3.95Å; L555-F663 HydrophobicContact CD1-CE1 3.77Å; L555-F663 HydrophobicContact CD1-CZ 4.49Å; L555-F663 HydrophobicContact CD2-CE1 4.23Å; L616-F663 HydrophobicContact CB-CE1 3.96Å; L616-F663 HydrophobicContact CB-CZ 4.17Å; Q617-F663 HydrophobicContact CB-CE1 4.48Å; Q617-F663 HydrophobicContact CB-CE2 4.42Å; Q617-F663 HydrophobicContact CB-CZ 4.28Å; Q617-F663 HydrophobicContact CG-CD1 3.55Å; Q617-F663 HydrophobicContact CG-CD2 3.87Å; Q617-F663 HydrophobicContact CG-CE1 3.55Å; Q617-F663 HydrophobicContact CG-CE2 3.88Å; Q617-F663 HydrophobicContact CG-CG 3.71Å; Q617-F663 HydrophobicContact CG-CZ 3.72Å; A620-F663 HydrophobicContact CB-CE2 3.87Å; A620-F663 HydrophobicContact CB-CZ 4.09Å; L659-F663 HydrophobicContact CD2-CD2 4.37Å; L659-F663 HydrophobicContact CD2-CE2 4.07Å; L659-F663 PolarHBondContact O-N 3.48Å; M661-F663 VanDerWaalsContact C-N 3.3Å; M661-F663 PolarHBondContact O-N 3.39Å; F663-S665 PolarHBondContact O-N 3.44Å; F663-L669 HydrophobicContact CD1-CD1 4.22Å
664A98Very high97.2Very high6 Ų69.7 Ų9.75%0.055%0.054CC..SBendtrans-47.3-39.1-171.300000115.3Y52 L53 V562 L586 W660Y52-A664 PolarHBondContact N-O 3.41Å; L53-A664 HydrophobicContact CB-CB 3.99Å; L53-A664 WeakPolarHBondContact CB-O 3.38Å; L53-A664 HydrophobicContact CD2-CB 4.47Å; L53-A664 PolarHBondContact N-O 2.91Å; V562-A664 HydrophobicContact CG1-CB 4.47Å; V562-A664 HydrophobicContact CG2-CB 3.98Å; L586-A664 HydrophobicContact CD1-CB 3.78Å; W660-A664 WeakPolarHBondContact O-CA 3.45Å; W660-A664 WeakPolarHBondContact O-CB 3.41Å; W660-A664 PolarHBondContact O-N 2.99Å
665S97.9Very high97.2Very high7 Ų79.9 Ų9.95%0.0496%0.055CC..  trans-145.1106.8173.3177.60000110.8E51 F663 R667 L668 L669E51-S665 PolarHBondContact OE1-OG 3.2Å; E51-S665 WeakPolarHBondContact OE2-CA 3.46Å; E51-S665 WeakPolarHBondContact OE2-CB 3.33Å; E51-S665 PolarHBondContact OE2-OG 3.23Å; F663-S665 PolarHBondContact O-N 3.44Å; S665-R667 PolarHBondContact O-N 3.32Å; S665-L668 PolarHBondContact O-N 2.93Å; S665-L668 PolarHBondContact OG-N 3.37Å; S665-L669 WeakPolarHBondContact O-CG 3.49Å; S665-L669 PolarHBondContact O-N 3.5Å; S665-L669 VanDerWaalsContact O-N 3.1Å
666G97.4Very high97.2Very high2 Ų28.1 Ų8.12%0.0214%0.042CC..Hα-helixtrans-56.2-38.2173.400000112Y48 G50 L669 Y670Y48-G666 VanDerWaalsContact CB-C 3.48Å; Y48-G666 WeakPolarHBondContact O-CA 3.27Å; G50-G666 WeakPolarHBondContact O-CA 3.45Å; G50-G666 PolarHBondContact O-N 3.37Å; G666-L669 PolarHBondContact O-N 3.31Å; G666-Y670 VanDerWaalsContact O-CB 3.29Å; G666-Y670 WeakPolarHBondContact O-CB 3.26Å; G666-Y670 PolarHBondContact O-N 3.3Å
667R95.8Very high97.1Very high6 Ų69 Ų92%0.0235%0.047CC..Hα-helixtrans-62.5-44.9175.6-17917878112.8-17.4113.2Y48 E51 N587 A590 D591 S665 L669 Y670 W671Y48-R667 HydrophobicContact CD2-CB 3.73Å; Y48-R667 HydrophobicContact CD2-CG 4.09Å; Y48-R667 HydrophobicContact CE2-CB 4.19Å; Y48-R667 HydrophobicContact CE2-CG 4.03Å; Y48-R667 HydrophobicContact CG-CB 3.99Å; Y48-R667 HydrophobicContact CG-CG 4.48Å; E51-R667 WeakPolarHBondContact OE1-CB 3.46Å; E51-R667 PolarHBondContact OE1-N 3.27Å; N587-R667 PolarHBondContact O-NH2 2.88Å; N587-R667 VanDerWaalsContact O-NH2 3.08Å; N587-R667 PolarHBondContact OD1-NH2 3.18Å; N587-R667 VanDerWaalsContact OD1-NH2 3.14Å; A590-R667 HydrophobicContact CB-CG 4.31Å; D591-R667 IonicContact OD1-CZ 2.76Å; D591-R667 VanDerWaalsContact OD1-CZ 3.26Å; D591-R667 IonicContact OD1-NH1 3.93Å; D591-R667 PolarHBondContact OD1-NH1 3.15Å; D591-R667 IonicContact OD1-NH2 3.81Å; D591-R667 PolarHBondContact OD1-NH2 3.47Å; S665-R667 PolarHBondContact O-N 3.32Å; R667-L669 VanDerWaalsContact C-N 3.34Å; R667-Y670 PolarHBondContact O-N 3.44Å; R667-W671 VanDerWaalsContact CG-CD1 3.49Å; R667-W671 PolarHBondContact O-N 3.4Å
668L97.9Very high96.9Very high2 Ų211.6 Ų11.61%0.017%0.066CC..Hα-helixtrans-60.6-48.8178.3176.162.9000110.5L586 C589 A590 S665 Y670 W671 I672 L696L586-L668 HydrophobicContact CB-CD2 4.02Å; L586-L668 HydrophobicContact CD2-CD2 3.67Å; L586-L668 HydrophobicContact CG-CD2 4.25Å; C589-L668 HydrophobicContact CB-CD1 3.75Å; A590-L668 HydrophobicContact CB-CB 3.97Å; A590-L668 HydrophobicContact CB-CD1 3.89Å; S665-L668 PolarHBondContact O-N 2.93Å; S665-L668 PolarHBondContact OG-N 3.37Å; L668-Y670 VanDerWaalsContact C-N 3.3Å; L668-Y670 PolarHBondContact O-N 3.44Å; L668-W671 PolarHBondContact O-N 3.31Å; L668-I672 HydrophobicContact CD1-CD1 3.72Å; L668-I672 HydrophobicContact CD1-CG1 4.12Å; L668-I672 HydrophobicContact CG-CD1 4.03Å; L668-I672 WeakPolarHBondContact O-CG1 3.37Å; L668-I672 PolarHBondContact O-N 2.95Å; L668-L696 HydrophobicContact CD1-CD2 4.15Å; L668-L696 HydrophobicContact CD2-CD2 3.8Å; L668-L696 HydrophobicContact CG-CD2 4.46Å
669L98.3Very high96.8Very high5 Ų510.7 Ų10.73%0.0266%0.059CC..Hα-helixtrans-56.3-47177.5-70.4171.4000111.1A554 L555 C558 L613 F663 S665 G666 R667 G673A554-L669 HydrophobicContact CB-CD2 4.5Å; L555-L669 HydrophobicContact CB-CD2 4.34Å; L555-L669 HydrophobicContact CD1-CD1 4.28Å; L555-L669 HydrophobicContact CD1-CD2 4.26Å; C558-L669 HydrophobicContact CB-CD2 3.61Å; L613-L669 HydrophobicContact CD1-CB 4.08Å; L613-L669 HydrophobicContact CD2-CB 3.82Å; L613-L669 HydrophobicContact CD2-CD1 4.16Å; F663-L669 HydrophobicContact CD1-CD1 4.22Å; S665-L669 WeakPolarHBondContact O-CG 3.49Å; S665-L669 PolarHBondContact O-N 3.5Å; S665-L669 VanDerWaalsContact O-N 3.1Å; G666-L669 PolarHBondContact O-N 3.31Å; R667-L669 VanDerWaalsContact C-N 3.34Å; L669-G673 PolarHBondContact O-N 3.03Å
670Y97Very high96.7Very high2 Ų214.4 Ų14.41%0.0088%0.079CC..Hα-helixtrans-57-54.3176.7175.4-93.8000111.7Y48 F604 F605 C606 D609 V610 G666 R667 L668 I672 G673 R674Y48-Y670 AromaticContact CD1-CD1 3.74Å; Y48-Y670 HydrophobicContact CD1-CD1 3.74Å; Y48-Y670 HydrophobicContact CD1-CD2 4.09Å; Y48-Y670 HydrophobicContact CD1-CE1 4.41Å; Y48-Y670 AromaticContact CD1-CG 3.56Å; Y48-Y670 HydrophobicContact CD1-CG 3.56Å; Y48-Y670 AromaticContact CE1-CD1 3.42Å; Y48-Y670 HydrophobicContact CE1-CD1 3.42Å; Y48-Y670 VanDerWaalsContact CE1-CD1 3.42Å; Y48-Y670 HydrophobicContact CE1-CD2 4.37Å; Y48-Y670 AromaticContact CE1-CE1 3.78Å; Y48-Y670 HydrophobicContact CE1-CE1 3.78Å; Y48-Y670 AromaticContact CE1-CG 3.76Å; Y48-Y670 HydrophobicContact CE1-CG 3.76Å; F604-Y670 PolarHBondContact O-OH 3.47Å; F605-Y670 WeakPolarHBondContact CA-OH 3.4Å; C606-Y670 HydrophobicContact CB-CE2 4.31Å; C606-Y670 PolarHBondContact N-OH 3.42Å; D609-Y670 HydrophobicContact CB-CD2 4Å; D609-Y670 HydrophobicContact CB-CE2 3.98Å; V610-Y670 HydrophobicContact CG2-CD2 3.7Å; V610-Y670 HydrophobicContact CG2-CE2 3.95Å; G666-Y670 VanDerWaalsContact O-CB 3.29Å; G666-Y670 WeakPolarHBondContact O-CB 3.26Å; G666-Y670 PolarHBondContact O-N 3.3Å; R667-Y670 PolarHBondContact O-N 3.44Å; L668-Y670 VanDerWaalsContact C-N 3.3Å; L668-Y670 PolarHBondContact O-N 3.44Å; Y670-I672 PolarHBondContact O-N 2.92Å; Y670-G673 WeakPolarHBondContact O-CA 3.4Å; Y670-G673 PolarHBondContact O-N 2.92Å; Y670-G673 VanDerWaalsContact O-N 3.15Å; Y670-R674 HydrophobicContact CD1-CG 4Å; Y670-R674 HydrophobicContact CE1-CG 3.55Å; Y670-R674 HydrophobicContact CE2-CG 4.14Å; Y670-R674 HydrophobicContact CG-CG 4.46Å; Y670-R674 WeakPolarHBondContact O-CG 3.41Å; Y670-R674 PolarHBondContact O-N 3.25Å
671W96.5Very high96.7Very high1 Ų115.9 Ų15.90%0.0049%0.091CC..Hα-helixtrans-69.8-33-175-73.9113.3000113.9L115 A593 K594 Y597 R667 L668 R674 L675L115-W671 HydrophobicContact CD2-CH2 3.46Å; L115-W671 VanDerWaalsContact CD2-CH2 3.46Å; L115-W671 HydrophobicContact CD2-CZ2 3.74Å; A593-W671 HydrophobicContact CB-CB 3.71Å; K594-W671 HydrophobicContact CB-CD2 3.69Å; K594-W671 HydrophobicContact CB-CE3 4.13Å; K594-W671 HydrophobicContact CB-CG 3.9Å; K594-W671 HydrophobicContact CB-CZ2 4.43Å; K594-W671 HydrophobicContact CD-CH2 4.42Å; K594-W671 HydrophobicContact CD-CZ2 3.8Å; K594-W671 HydrophobicContact CG-CD2 3.94Å; K594-W671 HydrophobicContact CG-CE3 4.17Å; K594-W671 HydrophobicContact CG-CH2 4.03Å; K594-W671 HydrophobicContact CG-CZ2 3.78Å; K594-W671 HydrophobicContact CG-CZ3 4.21Å; Y597-W671 HydrophobicContact CD1-CE3 4.32Å; Y597-W671 AromaticContact CD1-CZ3 3.74Å; Y597-W671 HydrophobicContact CD1-CZ3 3.74Å; Y597-W671 HydrophobicContact CE1-CZ3 4.18Å; Y597-W671 HydrophobicContact CG-CZ3 4.35Å; R667-W671 VanDerWaalsContact CG-CD1 3.49Å; R667-W671 PolarHBondContact O-N 3.4Å; L668-W671 PolarHBondContact O-N 3.31Å; W671-R674 HydrophobicContact CE3-CB 4.13Å; W671-R674 HydrophobicContact CE3-CG 4.05Å; W671-R674 HydrophobicContact CZ3-CG 4.25Å; W671-L675 WeakPolarHBondContact O-CB 3.45Å; W671-L675 PolarHBondContact O-N 3.44Å; W671-L675 VanDerWaalsContact O-N 3.08Å
672I97.6Very high96.6Very high0 Ų023.4 Ų23.40%012%0.124CC..Hα-helixtrans-65-44.9170.2-68.5178.7000109.7A554 A593 L668 Y670 R674 L675 L676 W692 L696A554-I672 HydrophobicContact CB-CB 4.03Å; A554-I672 HydrophobicContact CB-CG2 3.68Å; A593-I672 HydrophobicContact CB-CG1 4.19Å; L668-I672 HydrophobicContact CD1-CD1 3.72Å; L668-I672 HydrophobicContact CD1-CG1 4.12Å; L668-I672 HydrophobicContact CG-CD1 4.03Å; L668-I672 WeakPolarHBondContact O-CG1 3.37Å; L668-I672 PolarHBondContact O-N 2.95Å; Y670-I672 PolarHBondContact O-N 2.92Å; I672-R674 PolarHBondContact O-N 2.63Å; I672-L675 PolarHBondContact O-N 3.27Å; I672-L676 HydrophobicContact CG2-CD1 3.84Å; I672-L676 HydrophobicContact CG2-CG 4.25Å; I672-L676 WeakPolarHBondContact O-CG 3.25Å; I672-L676 PolarHBondContact O-N 3.32Å; I672-W692 HydrophobicContact CD1-CD2 4.49Å; I672-W692 HydrophobicContact CD1-CE3 4.03Å; I672-W692 HydrophobicContact CG1-CD2 4.38Å; I672-W692 HydrophobicContact CG1-CE3 4.11Å; I672-W692 HydrophobicContact CG1-CZ3 4.36Å; I672-L696 HydrophobicContact CD1-CD1 4.13Å; I672-L696 HydrophobicContact CD1-CD2 4.18Å
673G97.3Very high96.6Very high1 Ų129 Ų291%0.0115%0.149CC..Hα-helixtrans-56-48174.500000112.7P550 L669 Y670 L675 L676 Q677P550-G673 WeakPolarHBondContact CB-O 3.27Å; L669-G673 PolarHBondContact O-N 3.03Å; Y670-G673 WeakPolarHBondContact O-CA 3.4Å; Y670-G673 PolarHBondContact O-N 2.92Å; Y670-G673 VanDerWaalsContact O-N 3.15Å; G673-L675 VanDerWaalsContact C-N 3.31Å; G673-L675 PolarHBondContact O-N 2.91Å; G673-L676 PolarHBondContact O-N 2.86Å; G673-Q677 WeakPolarHBondContact O-CB 3.48Å; G673-Q677 PolarHBondContact O-N 3.41Å
674R95.4Very high96.6Very high12 Ų1229.4 Ų29.45%0.04515%0.151CC..Hα-helixtrans-55.8-44.8175.4-68.8-49.2-60.6158.6-1.1112.6Y597 C606 D609 Y670 W671 I672 Q677 S678Y597-R674 HydrophobicContact CD2-CB 3.87Å; Y597-R674 WeakPolarHBondContact CD2-O 3.36Å; Y597-R674 HydrophobicContact CE2-CB 3.91Å; Y597-R674 WeakPolarHBondContact CE2-O 3.47Å; Y597-R674 HydrophobicContact CG-CB 4.32Å; Y597-R674 PolarHBondContact OH-NH2 3.01Å; C606-R674 PolarHBondContact SG-NH1 3.24Å; D609-R674 WeakPolarHBondContact OD2-CD 3.45Å; D609-R674 IonicContact OD2-CZ 3.55Å; D609-R674 IonicContact OD2-NE 3.81Å; D609-R674 IonicContact OD2-NH1 2.62Å; D609-R674 PolarHBondContact OD2-NH1 2.98Å; Y670-R674 HydrophobicContact CD1-CG 4Å; Y670-R674 HydrophobicContact CE1-CG 3.55Å; Y670-R674 HydrophobicContact CE2-CG 4.14Å; Y670-R674 HydrophobicContact CG-CG 4.46Å; Y670-R674 WeakPolarHBondContact O-CG 3.41Å; Y670-R674 PolarHBondContact O-N 3.25Å; W671-R674 HydrophobicContact CE3-CB 4.13Å; W671-R674 HydrophobicContact CE3-CG 4.05Å; W671-R674 HydrophobicContact CZ3-CG 4.25Å; I672-R674 PolarHBondContact O-N 2.63Å; R674-Q677 PolarHBondContact O-N 3.44Å; R674-S678 PolarHBondContact O-N 3.43Å
675L95.4Very high96.6Very high9 Ų930.5 Ų30.55%0.04716%0.155CC..Hα-helixtrans-67-44.8179.6-177.6126.3000111.7I596 W671 I672 G673 Q677 S678 I679 W692I596-L675 HydrophobicContact CB-CD1 3.74Å; I596-L675 HydrophobicContact CG2-CD1 3.42Å; I596-L675 VanDerWaalsContact CG2-CD1 3.42Å; W671-L675 WeakPolarHBondContact O-CB 3.45Å; W671-L675 PolarHBondContact O-N 3.44Å; W671-L675 VanDerWaalsContact O-N 3.08Å; I672-L675 PolarHBondContact O-N 3.27Å; G673-L675 VanDerWaalsContact C-N 3.31Å; G673-L675 PolarHBondContact O-N 2.91Å; L675-Q677 VanDerWaalsContact C-N 3.27Å; L675-Q677 PolarHBondContact O-N 3.45Å; L675-S678 PolarHBondContact O-N 3.07Å; L675-S678 VanDerWaalsContact O-N 3.1Å; L675-S678 PolarHBondContact O-OG 3.43Å; L675-I679 HydrophobicContact CD2-CD1 4.08Å; L675-W692 HydrophobicContact CD1-CZ2 3.96Å; L675-W692 HydrophobicContact CD2-CZ2 3.74Å; L675-W692 HydrophobicContact CG-CZ2 4.41Å
676L97Very high96.5Very high0 Ų035.6 Ų35.60%018%0.177CC..Hα-helixtrans-64.6-32.1177.6-66174.7000112.4P550 L553 I672 G673 S678 I679 R684 K687 V688P550-L676 HydrophobicContact CB-CB 3.83Å; P550-L676 HydrophobicContact CG-CB 4.48Å; L553-L676 HydrophobicContact CB-CD1 3.82Å; L553-L676 HydrophobicContact CD1-CD1 4.39Å; I672-L676 HydrophobicContact CG2-CD1 3.84Å; I672-L676 HydrophobicContact CG2-CG 4.25Å; I672-L676 WeakPolarHBondContact O-CG 3.25Å; I672-L676 PolarHBondContact O-N 3.32Å; G673-L676 PolarHBondContact O-N 2.86Å; L676-S678 PolarHBondContact O-N 2.9Å; L676-I679 HydrophobicContact CD2-CD1 4.39Å; L676-I679 PolarHBondContact O-N 3.44Å; L676-I679 VanDerWaalsContact O-N 3.13Å; L676-R684 WeakPolarHBondContact O-CD 3.42Å; L676-R684 PolarHBondContact O-NE 3.36Å; L676-K687 HydrophobicContact CD2-CB 4.45Å; L676-V688 HydrophobicContact CD1-CG2 3.48Å; L676-V688 VanDerWaalsContact CD1-CG2 3.48Å; L676-V688 HydrophobicContact CD2-CG2 3.46Å; L676-V688 VanDerWaalsContact CD2-CG2 3.46Å; L676-V688 HydrophobicContact CG-CG2 4.09Å
677Q95Very high96.5Very high48 Ų4839 Ų3922%0.22419%0.192CC..Hα-helixtrans-62.5-28.7174.3-173.166.259.400112.6P550 G673 R674 L675 I679P550-Q677 HydrophobicContact CB-CB 4.33Å; P550-Q677 HydrophobicContact CG-CB 4.18Å; G673-Q677 WeakPolarHBondContact O-CB 3.48Å; G673-Q677 PolarHBondContact O-N 3.41Å; R674-Q677 PolarHBondContact O-N 3.44Å; L675-Q677 VanDerWaalsContact C-N 3.27Å; L675-Q677 PolarHBondContact O-N 3.45Å; Q677-I679 VanDerWaalsContact C-N 3.27Å; Q677-I679 PolarHBondContact O-N 3.43Å
678S92.9Very high96.6Very high60 Ų6038.8 Ų38.842%0.4219%0.191SC..THydrogen-bonded Turntrans-82.91.317773.20000114.5R674 L675 L676R674-S678 PolarHBondContact O-N 3.43Å; L675-S678 PolarHBondContact O-N 3.07Å; L675-S678 VanDerWaalsContact O-N 3.1Å; L675-S678 PolarHBondContact O-OG 3.43Å; L676-S678 PolarHBondContact O-N 2.9Å
679I94.4Very high96.5Very high23 Ų2339.6 Ų39.612%0.11820%0.195CC..SBendtrans-109.8147.6-178.6-61.8174.8000108.9L675 L676 Q677 E683 R684 K687L675-I679 HydrophobicContact CD2-CD1 4.08Å; L676-I679 HydrophobicContact CD2-CD1 4.39Å; L676-I679 PolarHBondContact O-N 3.44Å; L676-I679 VanDerWaalsContact O-N 3.13Å; Q677-I679 VanDerWaalsContact C-N 3.27Å; Q677-I679 PolarHBondContact O-N 3.43Å; I679-E683 HydrophobicContact CG2-CB 3.79Å; I679-R684 HydrophobicContact CB-CG 4.25Å; I679-R684 HydrophobicContact CG2-CG 4.23Å; I679-R684 PolarHBondContact O-NE 2.87Å; I679-R684 PolarHBondContact O-NH2 3.08Å; I679-R684 VanDerWaalsContact O-NH2 3.08Å; I679-K687 HydrophobicContact CD1-CB 4.34Å; I679-K687 HydrophobicContact CD1-CD 4.18Å; I679-K687 HydrophobicContact CD1-CG 3.7Å
680D96.3Very high96.4Very high81 Ų8143.9 Ų43.943%0.43322%0.218SC..  trans-50.3126.1172.4-177.3161000109.7F682 E683 R684D680-F682 PolarHBondContact O-N 2.96Å; D680-F682 VanDerWaalsContact OD2-CD2 3.25Å; D680-F682 WeakPolarHBondContact OD2-CD2 3.35Å; D680-F682 PolarHBondContact OD2-N 3.41Å; D680-E683 HydrophobicContact CB-CB 4.47Å; D680-E683 HydrophobicContact CB-CG 4.19Å; D680-E683 PolarHBondContact O-N 3.29Å; D680-R684 WeakPolarHBondContact O-CG 3.21Å; D680-R684 PolarHBondContact O-N 3.23Å
681P97.3Very high96.4Very high51 Ų5146.3 Ų46.333%0.33123%0.231SC..Hα-helixtrans-37.5-42172-31.934.2000115.7T548 E683T548-P681 HydrophobicContact CG2-CB 4.31Å; T548-P681 WeakPolarHBondContact CG2-O 3.36Å; P681-E683 VanDerWaalsContact C-N 3.32Å; P681-E683 PolarHBondContact O-N 3.38Å
682F95.7Very high96.4Very high171 Ų17146.4 Ų46.475%0.7523%0.232SC*.Hα-helixtrans-72.3-23.1-176.8-61.9-72.2000113.7D680D680-F682 PolarHBondContact O-N 2.96Å; D680-F682 VanDerWaalsContact OD2-CD2 3.25Å; D680-F682 WeakPolarHBondContact OD2-CD2 3.35Å; D680-F682 PolarHBondContact OD2-N 3.41Å
683E97.2Very high96.4Very high121 Ų12146.4 Ų46.457%0.56523%0.232SC*.Hα-helixtrans-93.1-19.6-179.2-63.7-173163.200113.1I679 D680 P681 F685 H686 K687I679-E683 HydrophobicContact CG2-CB 3.79Å; D680-E683 HydrophobicContact CB-CB 4.47Å; D680-E683 HydrophobicContact CB-CG 4.19Å; D680-E683 PolarHBondContact O-N 3.29Å; P681-E683 VanDerWaalsContact C-N 3.32Å; P681-E683 PolarHBondContact O-N 3.38Å; E683-F685 VanDerWaalsContact C-N 3.35Å; E683-F685 PolarHBondContact O-N 3.46Å; E683-H686 PolarHBondContact O-N 3.47Å; E683-K687 PolarHBondContact O-N 2.99Å
684R97.7Very high96.5Very high10 Ų1047.9 Ų47.94%0.03824%0.241CC..Hα-helixtrans-54.6-46.5-171.8-69173-170167.50.3113K542 T548 L553 L676 I679 D680 H686 K687 V688K542-R684 PolarHBondContact O-NH1 3.15Å; T548-R684 VanDerWaalsContact O-CD 3.29Å; T548-R684 WeakPolarHBondContact O-CD 3.22Å; T548-R684 PolarHBondContact O-NH1 3.11Å; L553-R684 HydrophobicContact CD1-CB 3.57Å; L676-R684 WeakPolarHBondContact O-CD 3.42Å; L676-R684 PolarHBondContact O-NE 3.36Å; I679-R684 HydrophobicContact CB-CG 4.25Å; I679-R684 HydrophobicContact CG2-CG 4.23Å; I679-R684 PolarHBondContact O-NE 2.87Å; I679-R684 PolarHBondContact O-NH2 3.08Å; I679-R684 VanDerWaalsContact O-NH2 3.08Å; D680-R684 WeakPolarHBondContact O-CG 3.21Å; D680-R684 PolarHBondContact O-N 3.23Å; R684-H686 PolarHBondContact O-N 2.84Å; R684-K687 WeakPolarHBondContact O-CB 3.33Å; R684-K687 PolarHBondContact O-N 2.94Å; R684-V688 WeakPolarHBondContact O-CG2 3.45Å; R684-V688 PolarHBondContact O-N 3.44Å
685F97.7Very high96.6Very high29 Ų2951.4 Ų51.413%0.12726%0.256CS..Hα-helixtrans-59.8-49.1-179.7-177.6-91.3000111.7R547 L553 E683 K687 V688 I689 F714 F718R547-F685 HydrophobicContact CG-CB 4.1Å; R547-F685 HydrophobicContact CG-CD2 3.66Å; R547-F685 HydrophobicContact CG-CE2 4.37Å; R547-F685 HydrophobicContact CG-CG 4.04Å; L553-F685 HydrophobicContact CD2-CD2 3.95Å; E683-F685 VanDerWaalsContact C-N 3.35Å; E683-F685 PolarHBondContact O-N 3.46Å; F685-K687 VanDerWaalsContact C-N 3.32Å; F685-K687 PolarHBondContact O-N 3.25Å; F685-V688 PolarHBondContact O-N 3.1Å; F685-I689 HydrophobicContact CE1-CD1 4.48Å; F685-I689 WeakPolarHBondContact O-CG2 3.39Å; F685-I689 PolarHBondContact O-N 3.08Å; F685-I689 VanDerWaalsContact O-N 3.08Å; F685-F714 AromaticContact CD2-CE1 3.92Å; F685-F714 HydrophobicContact CD2-CE1 3.92Å; F685-F714 HydrophobicContact CE2-CD1 4.04Å; F685-F714 AromaticContact CE2-CE1 3.45Å; F685-F714 HydrophobicContact CE2-CE1 3.45Å; F685-F714 VanDerWaalsContact CE2-CE1 3.45Å; F685-F714 HydrophobicContact CE2-CZ 4.36Å; F685-F714 HydrophobicContact CZ-CD1 4.08Å; F685-F714 AromaticContact CZ-CE1 3.86Å; F685-F714 HydrophobicContact CZ-CE1 3.86Å; F685-F718 HydrophobicContact CD2-CD2 4.4Å; F685-F718 HydrophobicContact CD2-CG 4.36Å; F685-F718 HydrophobicContact CE2-CB 3.92Å; F685-F718 HydrophobicContact CE2-CD1 4.23Å; F685-F718 AromaticContact CE2-CD2 3.61Å; F685-F718 HydrophobicContact CE2-CD2 3.61Å; F685-F718 HydrophobicContact CE2-CE2 4.17Å; F685-F718 AromaticContact CE2-CG 3.64Å; F685-F718 HydrophobicContact CE2-CG 3.64Å; F685-F718 HydrophobicContact CZ-CB 4.48Å
686H96.9Very high96.7Very high113 Ų11351 Ų5152%0.52325%0.254SS..Hα-helixtrans-64-37.5178.1-69.4-65000112.1E683 R684 V688 I689 N690E683-H686 PolarHBondContact O-N 3.47Å; R684-H686 PolarHBondContact O-N 2.84Å; H686-V688 VanDerWaalsContact C-N 3.31Å; H686-V688 PolarHBondContact O-N 3.49Å; H686-I689 WeakPolarHBondContact O-CG2 3.37Å; H686-N690 VanDerWaalsContact O-CB 3.26Å; H686-N690 WeakPolarHBondContact O-CB 3.43Å; H686-N690 PolarHBondContact O-N 3.28Å; H686-N690 PolarHBondContact O-ND2 3.42Å
687K96.6Very high96.7Very high75 Ų7551.3 Ų51.333%0.32626%0.256SS..Hα-helixtrans-61.2-42174.4-166.373.9173172.50111.8L676 I679 E683 R684 F685 D691 W692L676-K687 HydrophobicContact CD2-CB 4.45Å; I679-K687 HydrophobicContact CD1-CB 4.34Å; I679-K687 HydrophobicContact CD1-CD 4.18Å; I679-K687 HydrophobicContact CD1-CG 3.7Å; E683-K687 PolarHBondContact O-N 2.99Å; R684-K687 WeakPolarHBondContact O-CB 3.33Å; R684-K687 PolarHBondContact O-N 2.94Å; F685-K687 VanDerWaalsContact C-N 3.32Å; F685-K687 PolarHBondContact O-N 3.25Å; K687-D691 HydrophobicContact CD-CB 4.31Å; K687-D691 VanDerWaalsContact CD-OD2 3.28Å; K687-D691 WeakPolarHBondContact CD-OD2 3.5Å; K687-D691 WeakPolarHBondContact CE-OD2 3.35Å; K687-D691 IonicContact NZ-OD2 3.65Å; K687-D691 PolarHBondContact NZ-OD2 2.88Å; K687-D691 WeakPolarHBondContact O-CA 3.48Å; K687-D691 WeakPolarHBondContact O-CB 3.36Å; K687-D691 PolarHBondContact O-N 3.26Å; K687-W692 PolarHBondContact O-N 3.1Å
688V97.7Very high96.6Very high0 Ų050.1 Ų50.10%025%0.251CS..Iπ-helixtrans-68.1-49.6-178.5171.60000111.3L553 C557 L676 R684 F685 H686 W692 L693 F714L553-V688 HydrophobicContact CB-CG2 4.13Å; L553-V688 HydrophobicContact CD1-CG2 4.43Å; C557-V688 HydrophobicContact CB-CG1 3.38Å; L676-V688 HydrophobicContact CD1-CG2 3.48Å; L676-V688 VanDerWaalsContact CD1-CG2 3.48Å; L676-V688 HydrophobicContact CD2-CG2 3.46Å; L676-V688 VanDerWaalsContact CD2-CG2 3.46Å; L676-V688 HydrophobicContact CG-CG2 4.09Å; R684-V688 WeakPolarHBondContact O-CG2 3.45Å; R684-V688 PolarHBondContact O-N 3.44Å; F685-V688 PolarHBondContact O-N 3.1Å; H686-V688 VanDerWaalsContact C-N 3.31Å; H686-V688 PolarHBondContact O-N 3.49Å; V688-W692 PolarHBondContact O-N 2.96Å; V688-L693 WeakPolarHBondContact O-CB 3.25Å; V688-L693 PolarHBondContact O-N 3.03Å; V688-F714 HydrophobicContact CB-CZ 4.24Å; V688-F714 HydrophobicContact CG1-CE1 4.21Å; V688-F714 HydrophobicContact CG1-CE2 3.82Å; V688-F714 HydrophobicContact CG1-CZ 3.48Å; V688-F714 VanDerWaalsContact CG1-CZ 3.48Å
689I97Very high96.5Very high20 Ų2056.5 Ų56.510%0.10327%0.271CS..Iπ-helixtrans-68.2-37.9-176.2-165.8172.8000113F685 H686 P694 Q711 F714F685-I689 HydrophobicContact CE1-CD1 4.48Å; F685-I689 WeakPolarHBondContact O-CG2 3.39Å; F685-I689 PolarHBondContact O-N 3.08Å; F685-I689 VanDerWaalsContact O-N 3.08Å; H686-I689 WeakPolarHBondContact O-CG2 3.37Å; I689-P694 WeakPolarHBondContact O-CD 3.26Å; I689-Q711 HydrophobicContact CG1-CB 4.37Å; I689-Q711 HydrophobicContact CG1-CG 4.01Å; I689-Q711 PolarHBondContact O-NE2 3.05Å; I689-F714 HydrophobicContact CB-CD1 4.29Å; I689-F714 HydrophobicContact CB-CE1 4.39Å; I689-F714 HydrophobicContact CD1-CD1 4.33Å; I689-F714 HydrophobicContact CG1-CD1 4.32Å
690N96.4Very high96.1Very high95 Ų9556 Ų5651%0.50827%0.269SS..Iπ-helixtrans-90.1-33-175.4-64-28.9000113H686 P694H686-N690 VanDerWaalsContact O-CB 3.26Å; H686-N690 WeakPolarHBondContact O-CB 3.43Å; H686-N690 PolarHBondContact O-N 3.28Å; H686-N690 PolarHBondContact O-ND2 3.42Å; N690-P694 WeakPolarHBondContact O-CG 3.35Å
691D95.7Very high95.6Very high52 Ų5259.5 Ų59.528%0.27829%0.288SS..Iπ-helixtrans-111.2-43.3-170.2-63.611.3000113.4K687 K695K687-D691 HydrophobicContact CD-CB 4.31Å; K687-D691 VanDerWaalsContact CD-OD2 3.28Å; K687-D691 WeakPolarHBondContact CD-OD2 3.5Å; K687-D691 WeakPolarHBondContact CE-OD2 3.35Å; K687-D691 IonicContact NZ-OD2 3.65Å; K687-D691 PolarHBondContact NZ-OD2 2.88Å; K687-D691 WeakPolarHBondContact O-CA 3.48Å; K687-D691 WeakPolarHBondContact O-CB 3.36Å; K687-D691 PolarHBondContact O-N 3.26Å; D691-K695 WeakPolarHBondContact O-CD 3.19Å; D691-K695 WeakPolarHBondContact O-CG 3.32Å; D691-K695 PolarHBondContact O-NZ 3.48Å
692W97.6Very high95.2Very high4 Ų461 Ų612%0.01529%0.289CS..Iπ-helixtrans-90.3-47-172.6-80102.3000112.9L592 A593 I596 I672 L675 K687 V688 P694 K695 L696L592-W692 HydrophobicContact CG-CH2 4.42Å; A593-W692 VanDerWaalsContact CA-CH2 3.44Å; A593-W692 HydrophobicContact CB-CH2 3.5Å; A593-W692 VanDerWaalsContact CB-CH2 3.5Å; A593-W692 HydrophobicContact CB-CZ2 4.21Å; A593-W692 HydrophobicContact CB-CZ3 3.91Å; I596-W692 HydrophobicContact CD1-CH2 4.04Å; I596-W692 HydrophobicContact CD1-CZ2 4.03Å; I672-W692 HydrophobicContact CD1-CD2 4.49Å; I672-W692 HydrophobicContact CD1-CE3 4.03Å; I672-W692 HydrophobicContact CG1-CD2 4.38Å; I672-W692 HydrophobicContact CG1-CE3 4.11Å; I672-W692 HydrophobicContact CG1-CZ3 4.36Å; L675-W692 HydrophobicContact CD1-CZ2 3.96Å; L675-W692 HydrophobicContact CD2-CZ2 3.74Å; L675-W692 HydrophobicContact CG-CZ2 4.41Å; K687-W692 PolarHBondContact O-N 3.1Å; V688-W692 PolarHBondContact O-N 2.96Å; W692-P694 VanDerWaalsContact C-N 3.35Å; W692-K695 WeakPolarHBondContact O-CB 3.49Å; W692-K695 PolarHBondContact O-N 3.31Å; W692-L696 WeakPolarHBondContact O-CG 3.34Å; W692-L696 PolarHBondContact O-N 3.34Å
693L98.2Very high95Very high0 Ų055.1 Ų55.10%027%0.265CS..Hα-helixtrans-54.7-47179.9-178.762000111.4I560 A561 V688 K695 L696 L697 A710 Q711 F714I560-L693 HydrophobicContact CG2-CD1 4.39Å; A561-L693 HydrophobicContact CB-CD1 4.05Å; V688-L693 WeakPolarHBondContact O-CB 3.25Å; V688-L693 PolarHBondContact O-N 3.03Å; L693-K695 VanDerWaalsContact C-N 3.31Å; L693-K695 PolarHBondContact O-N 3.4Å; L693-L696 PolarHBondContact O-N 3.31Å; L693-L697 WeakPolarHBondContact O-CG 3.35Å; L693-L697 PolarHBondContact O-N 3.07Å; L693-A710 HydrophobicContact CD1-CB 4.27Å; L693-A710 HydrophobicContact CD2-CB 4.22Å; L693-A710 HydrophobicContact CG-CB 4.34Å; L693-Q711 HydrophobicContact CD2-CG 4.02Å; L693-F714 HydrophobicContact CD2-CB 3.99Å; L693-F714 HydrophobicContact CD2-CG 4.32Å
694P97.6Very high94.7Very high31 Ų3153 Ų5320%0.20126%0.264CS..Hα-helixtrans-63-32175.8-2638.1000114.5I689 N690 W692I689-P694 WeakPolarHBondContact O-CD 3.26Å; N690-P694 WeakPolarHBondContact O-CG 3.35Å; W692-P694 VanDerWaalsContact C-N 3.35Å
695K97.6Very high94.6Very high87 Ų8756.9 Ų56.938%0.37828%0.282SS..Hα-helixtrans-72.5-29.8177.8-72.3-178.4-172.188.20112.6H585 C589 L592 D691 W692 L693 L697H585-K695 PolarHBondContact CE1-O 3.21Å; H585-K695 PolarHBondContact NE2-O 2.76Å; C589-K695 PolarHBondContact SG-O 2.84Å; L592-K695 HydrophobicContact CD2-CD 3.94Å; D691-K695 WeakPolarHBondContact O-CD 3.19Å; D691-K695 WeakPolarHBondContact O-CG 3.32Å; D691-K695 PolarHBondContact O-NZ 3.48Å; W692-K695 WeakPolarHBondContact O-CB 3.49Å; W692-K695 PolarHBondContact O-N 3.31Å; L693-K695 VanDerWaalsContact C-N 3.31Å; L693-K695 PolarHBondContact O-N 3.4Å; K695-L697 VanDerWaalsContact C-N 3.28Å
696L98Very high94.5Very high0 Ų055.5 Ų55.50%028%0.276CS..Hα-helixtrans-75.6-17.6179.2-68.2172.1000112.9C557 A561 N565 H585 C589 L668 I672 W692 L693C557-L696 HydrophobicContact CB-CD1 4.36Å; A561-L696 HydrophobicContact CB-CB 3.45Å; A561-L696 VanDerWaalsContact CB-CB 3.45Å; A561-L696 HydrophobicContact CB-CD1 4.11Å; A561-L696 HydrophobicContact CB-CG 4.41Å; N565-L696 PolarHBondContact ND2-O 2.89Å; H585-L696 PolarHBondContact CD2-O 3.39Å; H585-L696 VanDerWaalsContact CD2-O 3.3Å; H585-L696 PolarHBondContact NE2-O 2.92Å; C589-L696 HydrophobicContact CB-CD2 3.85Å; L668-L696 HydrophobicContact CD1-CD2 4.15Å; L668-L696 HydrophobicContact CD2-CD2 3.8Å; L668-L696 HydrophobicContact CG-CD2 4.46Å; I672-L696 HydrophobicContact CD1-CD1 4.13Å; I672-L696 HydrophobicContact CD1-CD2 4.18Å; W692-L696 WeakPolarHBondContact O-CG 3.34Å; W692-L696 PolarHBondContact O-N 3.34Å; L693-L696 PolarHBondContact O-N 3.31Å
697L97.3Very high94.5Very high6 Ų653.1 Ų53.13%0.03127%0.265CS..SBendtrans-81.3136.1177.5-59173.4000111.2A561 N565 L693 K695 I703 Q706 Q707 A710A561-L697 HydrophobicContact CB-CD2 4.12Å; N565-L697 WeakPolarHBondContact OD1-CA 3.32Å; L693-L697 WeakPolarHBondContact O-CG 3.35Å; L693-L697 PolarHBondContact O-N 3.07Å; K695-L697 VanDerWaalsContact C-N 3.28Å; L697-I703 HydrophobicContact CB-CD1 4.12Å; L697-Q706 HydrophobicContact CD1-CG 4.29Å; L697-Q706 HydrophobicContact CD2-CG 4.28Å; L697-Q707 HydrophobicContact CD1-CB 4.29Å; L697-Q707 HydrophobicContact CD1-CG 3.6Å; L697-A710 HydrophobicContact CD1-CB 4.05Å; L697-A710 HydrophobicContact CD2-CB 4.27Å
698I93.7Very high94.5Very high23 Ų2353.4 Ų53.412%0.11827%0.271CS..PPolyproline II helixtrans-80.7132.1176.4-65.3166.7000108.3N565 L569 I582 H585 T700 Q706N565-I698 HydrophobicContact CB-CD1 4.23Å; N565-I698 PolarHBondContact OD1-N 2.69Å; L569-I698 HydrophobicContact CD1-CD1 3.89Å; L569-I698 HydrophobicContact CD2-CG2 4.29Å; I582-I698 HydrophobicContact CB-CD1 4.27Å; I582-I698 HydrophobicContact CG1-CD1 3.71Å; H585-I698 HydrophobicContact CB-CD1 4.07Å; H585-I698 HydrophobicContact CB-CG1 3.88Å; I698-T700 PolarHBondContact O-N 2.88Å; I698-T700 VanDerWaalsContact O-N 3.13Å; I698-Q706 PolarHBondContact O-OE1 2.95Å
699K89.5Confident94.4Very high194 Ų19454.8 Ų54.884%0.84328%0.28SS*.PPolyproline II helixtrans-61.9118.4177.4-66.3-174.6178.8-176.10110.2
700T86.4Confident94.4Very high14 Ų1453.9 Ų53.99%0.08628%0.275CS..  trans-124.2171.9173.462.80000109.9L569 N572 I698 F702 I703 Q706L569-T700 HydrophobicContact CD2-CG2 4Å; N572-T700 WeakPolarHBondContact ND2-CB 3.45Å; N572-T700 WeakPolarHBondContact ND2-CG2 3.43Å; I698-T700 PolarHBondContact O-N 2.88Å; I698-T700 VanDerWaalsContact O-N 3.13Å; T700-F702 PolarHBondContact O-N 2.92Å; T700-F702 VanDerWaalsContact O-N 3.09Å; T700-F702 PolarHBondContact OG1-N 3.34Å; T700-I703 WeakPolarHBondContact O-CB 3.45Å; T700-I703 PolarHBondContact O-N 2.94Å; T700-Q706 PolarHBondContact OG1-OE1 3.27Å
701N86Confident94.5Very high153 Ų15352.1 Ų52.182%0.81826%0.264SS*.THydrogen-bonded Turntrans-60.6-17.1172.2-68.2-15.1000113
702F88.2Confident94.6Very high83 Ų8356.2 Ų56.236%0.36428%0.276SS..THydrogen-bonded Turntrans-109.620.9-177.1-56.7-77.5000112.4F568 N572 T700 S704 Q705 Q706F568-F702 HydrophobicContact CD1-CB 3.7Å; F568-F702 HydrophobicContact CE1-CB 3.89Å; N572-F702 WeakPolarHBondContact OD1-CE2 3.5Å; T700-F702 PolarHBondContact O-N 2.92Å; T700-F702 VanDerWaalsContact O-N 3.09Å; T700-F702 PolarHBondContact OG1-N 3.34Å; F702-S704 VanDerWaalsContact C-N 3.28Å; F702-S704 PolarHBondContact O-N 3.45Å; F702-S704 VanDerWaalsContact O-N 3.14Å; F702-Q705 PolarHBondContact O-N 2.97Å; F702-Q705 VanDerWaalsContact O-N 3.07Å; F702-Q706 WeakPolarHBondContact O-CB 3.5Å; F702-Q706 PolarHBondContact O-N 2.62Å
703I91.2Very high94.6Very high48 Ų4857.3 Ų57.325%0.24628%0.282CS..Hα-helixtrans-56.3-35.8-169.6-171.557.4000114.2L697 T700 Q706 Q707L697-I703 HydrophobicContact CB-CD1 4.12Å; T700-I703 WeakPolarHBondContact O-CB 3.45Å; T700-I703 PolarHBondContact O-N 2.94Å; I703-Q706 PolarHBondContact O-N 2.97Å; I703-Q707 HydrophobicContact CD1-CG 4.27Å; I703-Q707 HydrophobicContact CG1-CG 4.47Å; I703-Q707 WeakPolarHBondContact O-CB 3.08Å; I703-Q707 WeakPolarHBondContact O-CG 3.48Å; I703-Q707 PolarHBondContact O-N 2.89Å
704S92.7Very high94.6Very high77 Ų7757.3 Ų57.354%0.53828%0.282SS..Hα-helixtrans-64-50.8176.3-169.30000111.1F702 Q706 Q707 D708F702-S704 VanDerWaalsContact C-N 3.28Å; F702-S704 PolarHBondContact O-N 3.45Å; F702-S704 VanDerWaalsContact O-N 3.14Å; S704-Q706 VanDerWaalsContact C-N 3.27Å; S704-Q706 PolarHBondContact O-N 3.41Å; S704-Q707 PolarHBondContact O-N 3.46Å; S704-D708 VanDerWaalsContact O-CG 3.28Å; S704-D708 PolarHBondContact O-N 3.31Å
705Q94.8Very high94.6Very high91 Ų9158.2 Ų58.243%0.42529%0.287SS..Hα-helixtrans-61-39.3176.7-175.7-175.817.600111.4F568 F702 D708 C709F568-Q705 HydrophobicContact CE1-CB 4.27Å; F568-Q705 HydrophobicContact CE1-CG 4.14Å; F568-Q705 HydrophobicContact CZ-CG 4.22Å; F702-Q705 PolarHBondContact O-N 2.97Å; F702-Q705 VanDerWaalsContact O-N 3.07Å; Q705-D708 PolarHBondContact O-N 3.34Å; Q705-C709 WeakPolarHBondContact O-CB 3.37Å; Q705-C709 PolarHBondContact O-N 3.42Å; Q705-C709 PolarHBondContact O-SG 3.31Å; Q705-C709 VanDerWaalsContact O-SG 3.32Å
706Q95.6Very high94.6Very high0 Ų057.8 Ų57.80%029%0.285CS..Hα-helixtrans-61.8-47177.5-171.5-179.55.800111.6S564 N565 F568 L697 I698 T700 F702 I703 S704 C709 A710S564-Q706 PolarHBondContact O-NE2 3.1Å; S564-Q706 WeakPolarHBondContact OG-CG 3.35Å; S564-Q706 PolarHBondContact OG-NE2 3.31Å; N565-Q706 PolarHBondContact OD1-NE2 3.37Å; N565-Q706 VanDerWaalsContact OD1-NE2 3.1Å; F568-Q706 HydrophobicContact CB-CG 4.15Å; F568-Q706 HydrophobicContact CD1-CB 3.74Å; F568-Q706 HydrophobicContact CD1-CG 4.06Å; F568-Q706 HydrophobicContact CD2-CB 4.11Å; F568-Q706 HydrophobicContact CD2-CG 3.64Å; F568-Q706 HydrophobicContact CE1-CB 3.75Å; F568-Q706 HydrophobicContact CE1-CG 4.35Å; F568-Q706 HydrophobicContact CE2-CB 4.13Å; F568-Q706 HydrophobicContact CE2-CG 3.97Å; F568-Q706 HydrophobicContact CG-CB 3.9Å; F568-Q706 HydrophobicContact CG-CG 3.67Å; F568-Q706 VanDerWaalsContact CZ-CA 3.47Å; F568-Q706 HydrophobicContact CZ-CB 3.94Å; F568-Q706 HydrophobicContact CZ-CG 4.3Å; L697-Q706 HydrophobicContact CD1-CG 4.29Å; L697-Q706 HydrophobicContact CD2-CG 4.28Å; I698-Q706 PolarHBondContact O-OE1 2.95Å; T700-Q706 PolarHBondContact OG1-OE1 3.27Å; F702-Q706 WeakPolarHBondContact O-CB 3.5Å; F702-Q706 PolarHBondContact O-N 2.62Å; I703-Q706 PolarHBondContact O-N 2.97Å; S704-Q706 VanDerWaalsContact C-N 3.27Å; S704-Q706 PolarHBondContact O-N 3.41Å; Q706-C709 PolarHBondContact O-N 3.42Å; Q706-A710 WeakPolarHBondContact O-CB 3.46Å; Q706-A710 PolarHBondContact O-N 2.93Å
707Q96.6Very high94.6Very high62 Ų6257.8 Ų57.829%0.2929%0.285SS..Hα-helixtrans-60.7-46.7176.5-78.9175.6-9.100111.5L697 I703 S704 C709 A710 Q711L697-Q707 HydrophobicContact CD1-CB 4.29Å; L697-Q707 HydrophobicContact CD1-CG 3.6Å; I703-Q707 HydrophobicContact CD1-CG 4.27Å; I703-Q707 HydrophobicContact CG1-CG 4.47Å; I703-Q707 WeakPolarHBondContact O-CB 3.08Å; I703-Q707 WeakPolarHBondContact O-CG 3.48Å; I703-Q707 PolarHBondContact O-N 2.89Å; S704-Q707 PolarHBondContact O-N 3.46Å; Q707-C709 PolarHBondContact O-N 2.93Å; Q707-A710 PolarHBondContact O-N 3.09Å; Q707-Q711 WeakPolarHBondContact O-CB 3.31Å; Q707-Q711 WeakPolarHBondContact O-CG 3.43Å; Q707-Q711 PolarHBondContact O-N 3.18Å
708D96.3Very high94.7Very high82 Ų8257.5 Ų57.544%0.43928%0.283SS..Hα-helixtrans-61.8-42.4179.1-66.4-24.6000112.3S704 Q705 R712S704-D708 VanDerWaalsContact O-CG 3.28Å; S704-D708 PolarHBondContact O-N 3.31Å; Q705-D708 PolarHBondContact O-N 3.34Å; D708-R712 VanDerWaalsContact O-CB 3.22Å; D708-R712 WeakPolarHBondContact O-CB 3.28Å; D708-R712 PolarHBondContact O-N 3.45Å; D708-R712 VanDerWaalsContact O-N 3.09Å
709C96.3Very high94.9Very high29 Ų2960.7 Ų60.720%0.19630%0.301CS..Hα-helixtrans-64-49175.7-73.20000111.2F568 Q705 Q706 Q707 Q711 R712 D713F568-C709 HydrophobicContact CZ-CB 4.48Å; Q705-C709 WeakPolarHBondContact O-CB 3.37Å; Q705-C709 PolarHBondContact O-N 3.42Å; Q705-C709 PolarHBondContact O-SG 3.31Å; Q705-C709 VanDerWaalsContact O-SG 3.32Å; Q706-C709 PolarHBondContact O-N 3.42Å; Q707-C709 PolarHBondContact O-N 2.93Å; C709-Q711 PolarHBondContact O-N 3.19Å; C709-R712 WeakPolarHBondContact O-CB 3.3Å; C709-R712 PolarHBondContact O-N 2.84Å; C709-D713 WeakPolarHBondContact O-CB 3.4Å; C709-D713 PolarHBondContact O-N 2.83Å
710A97.3Very high95.3Very high1 Ų151.8 Ų51.81%0.00826%0.262CS..Hα-helixtrans-62.3-43.1-178.600000112.3I560 L693 L697 Q706 Q707 D713 F714I560-A710 HydrophobicContact CG2-CB 4.14Å; L693-A710 HydrophobicContact CD1-CB 4.27Å; L693-A710 HydrophobicContact CD2-CB 4.22Å; L693-A710 HydrophobicContact CG-CB 4.34Å; L697-A710 HydrophobicContact CD1-CB 4.05Å; L697-A710 HydrophobicContact CD2-CB 4.27Å; Q706-A710 WeakPolarHBondContact O-CB 3.46Å; Q706-A710 PolarHBondContact O-N 2.93Å; Q707-A710 PolarHBondContact O-N 3.09Å; A710-D713 PolarHBondContact O-N 2.82Å; A710-F714 WeakPolarHBondContact O-CB 3.22Å; A710-F714 PolarHBondContact O-N 2.69Å
711Q97.7Very high95.8Very high58 Ų5851.2 Ų51.227%0.27126%0.259SS..Hα-helixtrans-65.9-38.4177.3-74.3-178-16.900112.1I689 L693 Q707 C709 F714 T715I689-Q711 HydrophobicContact CG1-CB 4.37Å; I689-Q711 HydrophobicContact CG1-CG 4.01Å; I689-Q711 PolarHBondContact O-NE2 3.05Å; L693-Q711 HydrophobicContact CD2-CG 4.02Å; Q707-Q711 WeakPolarHBondContact O-CB 3.31Å; Q707-Q711 WeakPolarHBondContact O-CG 3.43Å; Q707-Q711 PolarHBondContact O-N 3.18Å; C709-Q711 PolarHBondContact O-N 3.19Å; Q711-F714 PolarHBondContact O-N 3.49Å; Q711-T715 WeakPolarHBondContact O-CB 3.22Å; Q711-T715 PolarHBondContact O-N 3.09Å; Q711-T715 PolarHBondContact O-OG1 3.4Å
712R97.6Very high96.3Very high137 Ų13747.9 Ų47.952%0.51724%0.241SC..Hα-helixtrans-63.7-45.4175.4-171.9-170.1-44.5168.210111.5D708 C709 T715 K716D708-R712 VanDerWaalsContact O-CB 3.22Å; D708-R712 WeakPolarHBondContact O-CB 3.28Å; D708-R712 PolarHBondContact O-N 3.45Å; D708-R712 VanDerWaalsContact O-N 3.09Å; C709-R712 WeakPolarHBondContact O-CB 3.3Å; C709-R712 PolarHBondContact O-N 2.84Å; R712-T715 PolarHBondContact O-N 3.18Å; R712-K716 HydrophobicContact CG-CD 4.45Å; R712-K716 WeakPolarHBondContact O-CB 3.36Å; R712-K716 VanDerWaalsContact O-CG 3.28Å; R712-K716 WeakPolarHBondContact O-CG 3.29Å; R712-K716 PolarHBondContact O-N 2.84Å
713D98.1Very high96.6Very high28 Ų2850.3 Ų50.315%0.1525%0.251CS..Hα-helixtrans-66.3-39.3178.6-74.8-11.3000111.7I522 I560 C709 A710 T715 K716 L717I522-D713 HydrophobicContact CD1-CB 3.63Å; I560-D713 HydrophobicContact CG2-CB 4.32Å; C709-D713 WeakPolarHBondContact O-CB 3.4Å; C709-D713 PolarHBondContact O-N 2.83Å; A710-D713 PolarHBondContact O-N 2.82Å; D713-T715 PolarHBondContact O-N 2.63Å; D713-K716 PolarHBondContact O-N 3.45Å; D713-L717 WeakPolarHBondContact O-CB 3.48Å; D713-L717 PolarHBondContact O-N 3.36Å
714F98.2Very high96.7Very high0 Ų048.6 Ų48.60%024%0.243CC..Hα-helixtrans-61.9-44.1173-168.4-93.4000111.7L553 C557 I560 F685 V688 I689 L693 A710 Q711 L717 F718L553-F714 HydrophobicContact CD2-CZ 3.94Å; C557-F714 HydrophobicContact CB-CD2 4.4Å; C557-F714 HydrophobicContact CB-CE2 3.85Å; I560-F714 HydrophobicContact CD1-CB 3.98Å; I560-F714 HydrophobicContact CD1-CD2 3.9Å; I560-F714 HydrophobicContact CD1-CG 4.39Å; F685-F714 AromaticContact CD2-CE1 3.92Å; F685-F714 HydrophobicContact CD2-CE1 3.92Å; F685-F714 HydrophobicContact CE2-CD1 4.04Å; F685-F714 AromaticContact CE2-CE1 3.45Å; F685-F714 HydrophobicContact CE2-CE1 3.45Å; F685-F714 VanDerWaalsContact CE2-CE1 3.45Å; F685-F714 HydrophobicContact CE2-CZ 4.36Å; F685-F714 HydrophobicContact CZ-CD1 4.08Å; F685-F714 AromaticContact CZ-CE1 3.86Å; F685-F714 HydrophobicContact CZ-CE1 3.86Å; V688-F714 HydrophobicContact CB-CZ 4.24Å; V688-F714 HydrophobicContact CG1-CE1 4.21Å; V688-F714 HydrophobicContact CG1-CE2 3.82Å; V688-F714 HydrophobicContact CG1-CZ 3.48Å; V688-F714 VanDerWaalsContact CG1-CZ 3.48Å; I689-F714 HydrophobicContact CB-CD1 4.29Å; I689-F714 HydrophobicContact CB-CE1 4.39Å; I689-F714 HydrophobicContact CD1-CD1 4.33Å; I689-F714 HydrophobicContact CG1-CD1 4.32Å; L693-F714 HydrophobicContact CD2-CB 3.99Å; L693-F714 HydrophobicContact CD2-CG 4.32Å; A710-F714 WeakPolarHBondContact O-CB 3.22Å; A710-F714 PolarHBondContact O-N 2.69Å; Q711-F714 PolarHBondContact O-N 3.49Å; F714-L717 WeakPolarHBondContact O-CB 3.3Å; F714-L717 PolarHBondContact O-N 2.88Å; F714-F718 HydrophobicContact CD1-CD2 4.26Å; F714-F718 HydrophobicContact CD1-CE2 4.39Å; F714-F718 HydrophobicContact CD2-CE2 4.38Å; F714-F718 AromaticContact CE1-CD2 3.98Å; F714-F718 HydrophobicContact CE1-CD2 3.98Å; F714-F718 AromaticContact CE1-CE2 3.81Å; F714-F718 HydrophobicContact CE1-CE2 3.81Å; F714-F718 AromaticContact CE2-CE2 3.78Å; F714-F718 HydrophobicContact CE2-CE2 3.78Å; F714-F718 HydrophobicContact CZ-CD2 4.1Å; F714-F718 AromaticContact CZ-CE2 3.45Å; F714-F718 HydrophobicContact CZ-CE2 3.45Å; F714-F718 VanDerWaalsContact CZ-CE2 3.45Å; F714-F718 HydrophobicContact CZ-CZ 4.27Å; F714-F718 WeakPolarHBondContact O-CD2 3.34Å; F714-F718 PolarHBondContact O-N 3.05Å
715T97.6Very high96.1Very high50 Ų5050.3 Ų50.331%0.30725%0.246SC..Hα-helixtrans-65.8-43.6176.8-56.10000111.6Q711 R712 D713 L717 F718 N719Q711-T715 WeakPolarHBondContact O-CB 3.22Å; Q711-T715 PolarHBondContact O-N 3.09Å; Q711-T715 PolarHBondContact O-OG1 3.4Å; R712-T715 PolarHBondContact O-N 3.18Å; D713-T715 PolarHBondContact O-N 2.63Å; T715-L717 VanDerWaalsContact C-N 3.33Å; T715-L717 PolarHBondContact O-N 3.46Å; T715-F718 PolarHBondContact O-N 3.49Å; T715-N719 WeakPolarHBondContact O-CB 3.14Å; T715-N719 VanDerWaalsContact O-CG 3.28Å; T715-N719 PolarHBondContact O-N 2.87Å
716K97.7Very high96.2Very high77 Ų7748.3 Ų48.334%0.33524%0.237SC..Hα-helixtrans-57.7-44.2175.6-79.4175.7175.6-178.20112R712 D713 F718 N719 L720R712-K716 HydrophobicContact CG-CD 4.45Å; R712-K716 WeakPolarHBondContact O-CB 3.36Å; R712-K716 VanDerWaalsContact O-CG 3.28Å; R712-K716 WeakPolarHBondContact O-CG 3.29Å; R712-K716 PolarHBondContact O-N 2.84Å; D713-K716 PolarHBondContact O-N 3.45Å; K716-F718 PolarHBondContact O-N 3.39Å; K716-N719 PolarHBondContact O-N 3.36Å; K716-L720 WeakPolarHBondContact O-CB 3.5Å; K716-L720 PolarHBondContact O-N 3.03Å
717L98.5Very high96.2Very high0 Ų050.8 Ų50.80%025%0.249CC..Hα-helixtrans-54.9-51.3177.4172.163.7000111.4I522 L525 A526 L529 S556 I560 D713 F714 T715 L720 I721I522-L717 HydrophobicContact CG2-CB 3.87Å; I522-L717 HydrophobicContact CG2-CD1 3.98Å; L525-L717 HydrophobicContact CB-CD1 4.13Å; L525-L717 HydrophobicContact CD2-CD1 4.25Å; L525-L717 HydrophobicContact CD2-CD2 3.65Å; L525-L717 HydrophobicContact CG-CD1 3.96Å; L525-L717 HydrophobicContact CG-CD2 4.05Å; A526-L717 HydrophobicContact CB-CD1 3.86Å; L529-L717 HydrophobicContact CD1-CD1 4.43Å; L529-L717 HydrophobicContact CD1-CD2 4.23Å; S556-L717 WeakPolarHBondContact OG-CD2 3.32Å; I560-L717 HydrophobicContact CD1-CD2 4.07Å; D713-L717 WeakPolarHBondContact O-CB 3.48Å; D713-L717 PolarHBondContact O-N 3.36Å; F714-L717 WeakPolarHBondContact O-CB 3.3Å; F714-L717 PolarHBondContact O-N 2.88Å; T715-L717 VanDerWaalsContact C-N 3.33Å; T715-L717 PolarHBondContact O-N 3.46Å; L717-L720 WeakPolarHBondContact O-CB 2.94Å; L717-L720 PolarHBondContact O-N 3.37Å; L717-I721 HydrophobicContact CD1-CD1 3.98Å; L717-I721 HydrophobicContact CD1-CG1 4.37Å; L717-I721 HydrophobicContact CG-CD1 3.97Å; L717-I721 WeakPolarHBondContact O-CG1 3.17Å; L717-I721 PolarHBondContact O-N 3.32Å
718F98.2Very high96.2Very high0 Ų050.2 Ų50.20%025%0.247CC..Hα-helixtrans-74.7-30.8-176.8-79.4-86.9000113.5I546 R547 L553 F685 F714 T715 K716 L720 I721 D722I546-F718 HydrophobicContact CG2-CE1 3.97Å; R547-F718 HydrophobicContact CB-CD1 4.03Å; R547-F718 HydrophobicContact CB-CE1 4.23Å; R547-F718 HydrophobicContact CG-CD1 4.34Å; L553-F718 HydrophobicContact CD2-CE1 4.07Å; L553-F718 HydrophobicContact CD2-CE2 4.09Å; L553-F718 HydrophobicContact CD2-CZ 3.52Å; L553-F718 HydrophobicContact CG-CZ 4.43Å; F685-F718 HydrophobicContact CD2-CD2 4.4Å; F685-F718 HydrophobicContact CD2-CG 4.36Å; F685-F718 HydrophobicContact CE2-CB 3.92Å; F685-F718 HydrophobicContact CE2-CD1 4.23Å; F685-F718 AromaticContact CE2-CD2 3.61Å; F685-F718 HydrophobicContact CE2-CD2 3.61Å; F685-F718 HydrophobicContact CE2-CE2 4.17Å; F685-F718 AromaticContact CE2-CG 3.64Å; F685-F718 HydrophobicContact CE2-CG 3.64Å; F685-F718 HydrophobicContact CZ-CB 4.48Å; F714-F718 HydrophobicContact CD1-CD2 4.26Å; F714-F718 HydrophobicContact CD1-CE2 4.39Å; F714-F718 HydrophobicContact CD2-CE2 4.38Å; F714-F718 AromaticContact CE1-CD2 3.98Å; F714-F718 HydrophobicContact CE1-CD2 3.98Å; F714-F718 AromaticContact CE1-CE2 3.81Å; F714-F718 HydrophobicContact CE1-CE2 3.81Å; F714-F718 AromaticContact CE2-CE2 3.78Å; F714-F718 HydrophobicContact CE2-CE2 3.78Å; F714-F718 HydrophobicContact CZ-CD2 4.1Å; F714-F718 AromaticContact CZ-CE2 3.45Å; F714-F718 HydrophobicContact CZ-CE2 3.45Å; F714-F718 VanDerWaalsContact CZ-CE2 3.45Å; F714-F718 HydrophobicContact CZ-CZ 4.27Å; F714-F718 WeakPolarHBondContact O-CD2 3.34Å; F714-F718 PolarHBondContact O-N 3.05Å; T715-F718 PolarHBondContact O-N 3.49Å; K716-F718 PolarHBondContact O-N 3.39Å; F718-L720 VanDerWaalsContact C-N 3.3Å; F718-I721 HydrophobicContact CD1-CD1 4.13Å; F718-I721 HydrophobicContact CE1-CD1 4.25Å; F718-I721 HydrophobicContact CG-CD1 4.49Å; F718-I721 PolarHBondContact O-N 2.67Å; F718-D722 VanDerWaalsContact O-CG 3.29Å; F718-D722 PolarHBondContact O-N 2.76Å
719N97.8Very high96.2Very high91 Ų9148.3 Ų48.349%0.48724%0.236SC..Hα-helixtrans-64-38.5169.3-70.6-11.4000111.5T715 K716 K723T715-N719 WeakPolarHBondContact O-CB 3.14Å; T715-N719 VanDerWaalsContact O-CG 3.28Å; T715-N719 PolarHBondContact O-N 2.87Å; K716-N719 PolarHBondContact O-N 3.36Å; N719-K723 PolarHBondContact O-N 3.47Å
720L98.2Very high96.2Very high6 Ų649.5 Ų49.53%0.03124%0.238CC..Hα-helixtrans-67.2-43.4174.6-17963.4000111.1E514 F517 Q523 A526 K716 L717 F718 D722 K723 L724E514-L720 HydrophobicContact CB-CD1 4.29Å; E514-L720 HydrophobicContact CG-CD1 3.55Å; F517-L720 HydrophobicContact CD1-CD2 3.99Å; F517-L720 HydrophobicContact CD2-CD1 4.01Å; F517-L720 HydrophobicContact CD2-CD2 4.12Å; F517-L720 HydrophobicContact CE1-CD2 3.72Å; F517-L720 HydrophobicContact CE2-CB 4.08Å; F517-L720 HydrophobicContact CE2-CD1 4.14Å; F517-L720 HydrophobicContact CE2-CD2 3.86Å; F517-L720 HydrophobicContact CE2-CG 4.25Å; F517-L720 HydrophobicContact CG-CD2 4.19Å; F517-L720 HydrophobicContact CZ-CB 4.26Å; F517-L720 HydrophobicContact CZ-CD2 3.66Å; F517-L720 HydrophobicContact CZ-CG 4.43Å; Q523-L720 HydrophobicContact CB-CD2 4.03Å; Q523-L720 HydrophobicContact CG-CD2 4.37Å; A526-L720 HydrophobicContact CB-CD2 3.78Å; A526-L720 HydrophobicContact CB-CG 4.08Å; K716-L720 WeakPolarHBondContact O-CB 3.5Å; K716-L720 PolarHBondContact O-N 3.03Å; L717-L720 WeakPolarHBondContact O-CB 2.94Å; L717-L720 PolarHBondContact O-N 3.37Å; F718-L720 VanDerWaalsContact C-N 3.3Å; L720-D722 VanDerWaalsContact C-N 3.32Å; L720-D722 PolarHBondContact O-N 3.3Å; L720-K723 WeakPolarHBondContact O-CB 3.49Å; L720-K723 PolarHBondContact O-N 3.13Å; L720-K723 VanDerWaalsContact O-N 3.07Å; L720-L724 HydrophobicContact CD1-CD1 3.91Å; L720-L724 HydrophobicContact CD1-CD2 4.26Å; L720-L724 HydrophobicContact CD1-CG 3.82Å; L720-L724 HydrophobicContact CD2-CD1 4.22Å; L720-L724 HydrophobicContact CG-CD1 3.76Å; L720-L724 HydrophobicContact CG-CG 4.05Å; L720-L724 WeakPolarHBondContact O-CB 3.48Å; L720-L724 WeakPolarHBondContact O-CG 3.49Å; L720-L724 PolarHBondContact O-N 3.22Å
721I97.9Very high96.1Very high3 Ų352.7 Ų52.72%0.01525%0.253CS..Hα-helixtrans-56.9-46.4176.6-72.5166.2000111.2A526 L529 I530 I546 L717 F718 K723 L724 N725A526-I721 HydrophobicContact CB-CG1 3.78Å; L529-I721 HydrophobicContact CB-CD1 4.31Å; L529-I721 HydrophobicContact CD1-CD1 3.8Å; I530-I721 HydrophobicContact CD1-CG2 4.49Å; I530-I721 HydrophobicContact CG1-CG1 4.47Å; I530-I721 HydrophobicContact CG1-CG2 4.12Å; I546-I721 HydrophobicContact CB-CG2 4.39Å; I546-I721 HydrophobicContact CD1-CG2 3.69Å; I546-I721 HydrophobicContact CG2-CD1 4.2Å; L717-I721 HydrophobicContact CD1-CD1 3.98Å; L717-I721 HydrophobicContact CD1-CG1 4.37Å; L717-I721 HydrophobicContact CG-CD1 3.97Å; L717-I721 WeakPolarHBondContact O-CG1 3.17Å; L717-I721 PolarHBondContact O-N 3.32Å; F718-I721 HydrophobicContact CD1-CD1 4.13Å; F718-I721 HydrophobicContact CE1-CD1 4.25Å; F718-I721 HydrophobicContact CG-CD1 4.49Å; F718-I721 PolarHBondContact O-N 2.67Å; I721-K723 PolarHBondContact O-N 3.4Å; I721-L724 PolarHBondContact O-N 3.21Å; I721-N725 WeakPolarHBondContact O-CB 3.15Å; I721-N725 PolarHBondContact O-N 2.71Å
722D95.3Very high96Very high83 Ų8352.4 Ų52.444%0.44425%0.252SS..Hα-helixtrans-65.5-26.3178.8-67.2-19.1000112.7R547 F718 L720R547-D722 IonicContact CZ-OD2 3.26Å; R547-D722 IonicContact NE-OD2 2.67Å; R547-D722 IonicContact NH1-OD2 2.97Å; R547-D722 PolarHBondContact NH1-OD2 3.1Å; R547-D722 IonicContact NH2-OD2 2.76Å; R547-D722 PolarHBondContact NH2-OD2 3.23Å; F718-D722 VanDerWaalsContact O-CG 3.29Å; F718-D722 PolarHBondContact O-N 2.76Å; L720-D722 VanDerWaalsContact C-N 3.32Å; L720-D722 PolarHBondContact O-N 3.3Å
723K95.6Very high95.8Very high134 Ų13445.8 Ų45.858%0.58323%0.232SC*.Hα-helixtrans-79.4-38.5177-169.6-179-173.7-166.70112.5E514 N719 L720 I721E514-K723 HydrophobicContact CG-CD 4.33Å; E514-K723 WeakPolarHBondContact OE1-CD 2.84Å; E514-K723 WeakPolarHBondContact OE1-CE 3.36Å; E514-K723 IonicContact OE1-NZ 2.71Å; E514-K723 PolarHBondContact OE1-NZ 3Å; E514-K723 IonicContact OE2-NZ 2.72Å; E514-K723 PolarHBondContact OE2-NZ 3.35Å; N719-K723 PolarHBondContact O-N 3.47Å; L720-K723 WeakPolarHBondContact O-CB 3.49Å; L720-K723 PolarHBondContact O-N 3.13Å; L720-K723 VanDerWaalsContact O-N 3.07Å; I721-K723 PolarHBondContact O-N 3.4Å
724L93.2Very high95.7Very high12 Ų1247.3 Ų47.36%0.06324%0.239CC..Hα-helixtrans-84.5-30.6-175.3-68.7-177000113.7L511 N512 E514 A526 V527 I530 L720 I721L511-L724 HydrophobicContact CD2-CB 4.33Å; N512-L724 WeakPolarHBondContact O-CD2 3.24Å; E514-L724 HydrophobicContact CG-CD2 4.24Å; A526-L724 HydrophobicContact CB-CD1 4.2Å; V527-L724 HydrophobicContact CG2-CD1 4.45Å; I530-L724 HydrophobicContact CD1-CB 3.55Å; I530-L724 HydrophobicContact CD1-CD1 4.17Å; L720-L724 HydrophobicContact CD1-CD1 3.91Å; L720-L724 HydrophobicContact CD1-CD2 4.26Å; L720-L724 HydrophobicContact CD1-CG 3.82Å; L720-L724 HydrophobicContact CD2-CD1 4.22Å; L720-L724 HydrophobicContact CG-CD1 3.76Å; L720-L724 HydrophobicContact CG-CG 4.05Å; L720-L724 WeakPolarHBondContact O-CB 3.48Å; L720-L724 WeakPolarHBondContact O-CG 3.49Å; L720-L724 PolarHBondContact O-N 3.22Å; I721-L724 PolarHBondContact O-N 3.21Å
725N79.8Confident95.4Very high112 Ų11251.6 Ų51.660%0.59926%0.26SS*.  trans-82.50-173.3-175.154.3000112.6I530 R534 I721I530-N725 HydrophobicContact CD1-CB 4.28Å; I530-N725 HydrophobicContact CG1-CB 4.27Å; I530-N725 HydrophobicContact CG2-CB 4.42Å; R534-N725 PolarHBondContact NE-OD1 3.05Å; R534-N725 VanDerWaalsContact NE-OD1 3.1Å; R534-N725 PolarHBondContact NH2-O 3.14Å; R534-N725 PolarHBondContact NH2-OD1 3.39Å; I721-N725 WeakPolarHBondContact O-CB 3.15Å; I721-N725 PolarHBondContact O-N 2.71Å

Retrieved 725 of 725 residues in 258.9 ms (Link to these results)

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