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V-type proton ATPase subunit C 1

Subunit of the V1 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons1. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments and in some cell types, is targeted to the plasma membrane, where it is responsible for acidifying the extracellular environment (By similarity). Subunit C is necessary for the assembly of the catalytic sector of the enzyme and is likely to have a specific function in its catalytic activity (By similarity).

AlphaFold DB , UniProt , Accession P21283, Species HUMAN (Homo sapiens, Human), Gene ATP6V1C1, Length 382 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
1M57.7Low90.8Very high161 Ų16125.3 Ų25.379%0.79313%0.132SC*.  0107.90-86.4-152.9-83.400108.7K325 N377M1-K325 VanDerWaalsContact O-CE 3.24Å; M1-K325 WeakPolarHBondContact O-CE 3.21Å; M1-K325 PolarHBondContact O-NZ 3.38Å; M1-K325 VanDerWaalsContact O-NZ 3.13Å; M1-N377 WeakPolarHBondContact CA-OD1 3.31Å; M1-N377 WeakPolarHBondContact CB-OD1 3.3Å; M1-N377 WeakPolarHBondContact CG-OD1 3.49Å; M1-N377 HydrophobicContact SD-CB 3.94Å; M1-N377 PolarHBondContact SD-OD1 3.41Å; M1-N377 VanDerWaalsContact SD-OD1 3.33Å
2T83.3Confident90Very high33 Ų3331.5 Ų31.520%0.20216%0.16CC..  trans-118.1110.4-150.6-46.40000109.5F4 V99 Q322 C376 N377T2-F4 HydrophobicContact CG2-CD2 4.2Å; T2-F4 HydrophobicContact CG2-CE1 4.32Å; T2-F4 HydrophobicContact CG2-CE2 3.45Å; T2-F4 VanDerWaalsContact CG2-CE2 3.45Å; T2-F4 HydrophobicContact CG2-CZ 3.52Å; T2-V99 HydrophobicContact CG2-CG2 3.76Å; T2-Q322 HydrophobicContact CG2-CG 4.08Å; T2-C376 WeakPolarHBondContact O-CB 3.42Å; T2-C376 PolarHBondContact O-N 3.35Å; T2-N377 PolarHBondContact N-OD1 2.96Å
3E91.4Very high89.4Confident46 Ų4642 Ų4222%0.21520%0.204CC..EExtended strand (participates in β ladder)trans-97.4137.2173.2172.6174.5171.300108.6W5 P323 K373E3-W5 PolarHBondContact OE1-NE1 3.21Å; E3-P323 VanDerWaalsContact O-CD 3.26Å; E3-P323 WeakPolarHBondContact O-CD 3.14Å; E3-K373 HydrophobicContact CG-CD 4.33Å; E3-K373 HydrophobicContact CG-CG 4.18Å; E3-K373 WeakPolarHBondContact OE1-CD 3.49Å; E3-K373 WeakPolarHBondContact OE1-CE 3.48Å; E3-K373 IonicContact OE1-NZ 2.83Å; E3-K373 PolarHBondContact OE1-NZ 3.05Å; E3-K373 WeakPolarHBondContact OE2-CE 3.28Å; E3-K373 IonicContact OE2-NZ 2.67Å; E3-K373 PolarHBondContact OE2-NZ 3.34Å
4F96.3Very high89.5Confident0 Ų043.5 Ų43.50%022%0.217CC..EExtended strand (participates in β ladder)trans-119.4146170.6-62-89.8000111T2 V99 I102 T103 L320 L321 Q322 I374T2-F4 HydrophobicContact CG2-CD2 4.2Å; T2-F4 HydrophobicContact CG2-CE1 4.32Å; T2-F4 HydrophobicContact CG2-CE2 3.45Å; T2-F4 VanDerWaalsContact CG2-CE2 3.45Å; T2-F4 HydrophobicContact CG2-CZ 3.52Å; F4-V99 HydrophobicContact CE2-CG2 4.23Å; F4-V99 HydrophobicContact CZ-CB 4.24Å; F4-V99 HydrophobicContact CZ-CG1 3.99Å; F4-V99 HydrophobicContact CZ-CG2 4.08Å; F4-I102 HydrophobicContact CD2-CD1 3.85Å; F4-I102 HydrophobicContact CD2-CG2 4.41Å; F4-I102 HydrophobicContact CE2-CD1 3.85Å; F4-I102 HydrophobicContact CG-CG2 4.38Å; F4-T103 HydrophobicContact CE1-CG2 3.77Å; F4-T103 HydrophobicContact CZ-CG2 4.18Å; F4-L320 HydrophobicContact CB-CD1 3.82Å; F4-L320 HydrophobicContact CB-CG 4.37Å; F4-L320 HydrophobicContact CD1-CD1 4.18Å; F4-L320 HydrophobicContact CD1-CD2 3.71Å; F4-L320 HydrophobicContact CD1-CG 3.88Å; F4-L320 HydrophobicContact CE1-CD2 4.04Å; F4-L320 HydrophobicContact CG-CD1 4.26Å; F4-L320 HydrophobicContact CG-CD2 4.46Å; F4-L320 HydrophobicContact CG-CG 4.46Å; F4-L321 CarbonylContact C-O 3.36Å; F4-L321 WeakPolarHBondContact CA-O 3.3Å; F4-Q322 HydrophobicContact CD1-CB 3.82Å; F4-Q322 HydrophobicContact CD1-CG 4.22Å; F4-Q322 HydrophobicContact CE1-CB 3.73Å; F4-Q322 HydrophobicContact CE1-CG 3.89Å; F4-Q322 HydrophobicContact CZ-CG 4.47Å; F4-I374 HydrophobicContact CB-CB 4.27Å; F4-I374 PolarHBondContact N-O 2.67Å; F4-I374 PolarHBondContact O-N 3.04Å
5W96.6Very high89.7Confident6 Ų643.1 Ų43.12%0.02322%0.22CC..EExtended strand (participates in β ladder)trans-110110.9171.1-63.7-3.8000107.8E3 I7 L321 P323 L328 L331 R332 L335 Y371E3-W5 PolarHBondContact OE1-NE1 3.21Å; W5-I7 HydrophobicContact CB-CG2 4.33Å; W5-L321 HydrophobicContact CB-CB 4.25Å; W5-L321 PolarHBondContact N-O 2.75Å; W5-L321 PolarHBondContact O-N 3.23Å; W5-P323 HydrophobicContact CD2-CG 3.49Å; W5-P323 VanDerWaalsContact CD2-CG 3.49Å; W5-P323 VanDerWaalsContact CE2-CG 3.48Å; W5-P323 HydrophobicContact CE3-CG 4.03Å; W5-P323 HydrophobicContact CG-CG 3.74Å; W5-P323 HydrophobicContact CH2-CG 4.41Å; W5-P323 HydrophobicContact CZ2-CB 4.4Å; W5-P323 HydrophobicContact CZ2-CG 3.97Å; W5-P323 HydrophobicContact CZ3-CG 4.47Å; W5-L328 HydrophobicContact CH2-CD2 4.07Å; W5-L328 HydrophobicContact CZ2-CD2 3.62Å; W5-L331 HydrophobicContact CE3-CD2 3.73Å; W5-L331 HydrophobicContact CE3-CG 4.27Å; W5-L331 HydrophobicContact CH2-CB 4.46Å; W5-L331 HydrophobicContact CH2-CD2 3.88Å; W5-L331 HydrophobicContact CH2-CG 4.25Å; W5-L331 HydrophobicContact CZ3-CB 4.23Å; W5-L331 HydrophobicContact CZ3-CD2 3.34Å; W5-L331 HydrophobicContact CZ3-CG 3.59Å; W5-R332 HydrophobicContact CH2-CG 3.79Å; W5-R332 HydrophobicContact CZ3-CG 4.2Å; W5-L335 HydrophobicContact CE3-CD1 3.91Å; W5-L335 HydrophobicContact CZ3-CD1 3.86Å; W5-Y371 HydrophobicContact CB-CD2 4.4Å; W5-Y371 HydrophobicContact CB-CE2 3.73Å; W5-Y371 AromaticContact CD1-CE2 3.84Å; W5-Y371 AromaticContact CD2-CE2 3.84Å; W5-Y371 HydrophobicContact CD2-CE2 3.84Å; W5-Y371 HydrophobicContact CE3-CE2 4.33Å; W5-Y371 AromaticContact CG-CE2 3.53Å; W5-Y371 HydrophobicContact CG-CE2 3.53Å; W5-Y371 PolarHBondContact NE1-OH 2.69Å
6L97.9Very high90Very high0 Ų045.4 Ų45.40%023%0.229CC..EExtended strand (participates in β ladder)trans-90.8113.9171.7-179.561.1000107.9F38 K298 V302 L320 Y372 I374L6-F38 HydrophobicContact CD1-CB 3.72Å; L6-F38 HydrophobicContact CD1-CD1 3.7Å; L6-F38 HydrophobicContact CD1-CD2 3.79Å; L6-F38 HydrophobicContact CD1-CE1 4.23Å; L6-F38 HydrophobicContact CD1-CE2 4.3Å; L6-F38 HydrophobicContact CD1-CG 3.44Å; L6-F38 VanDerWaalsContact CD1-CG 3.44Å; L6-F38 HydrophobicContact CD1-CZ 4.5Å; L6-F38 HydrophobicContact CD2-CD1 4.48Å; L6-F38 HydrophobicContact CD2-CE1 4.23Å; L6-F38 HydrophobicContact CD2-CZ 4.28Å; L6-K298 HydrophobicContact CD2-CB 3.92Å; L6-V302 HydrophobicContact CD1-CG2 4.44Å; L6-V302 HydrophobicContact CD2-CG2 3.43Å; L6-V302 VanDerWaalsContact CD2-CG2 3.43Å; L6-V302 HydrophobicContact CG-CG2 3.58Å; L6-L320 HydrophobicContact CB-CD1 4.34Å; L6-L320 HydrophobicContact CD1-CD1 4.31Å; L6-Y372 PolarHBondContact N-O 2.64Å; L6-Y372 PolarHBondContact O-N 2.88Å; L6-I374 HydrophobicContact CB-CD1 4.12Å; L6-I374 HydrophobicContact CD2-CD1 4.31Å
7I97.4Very high90.2Very high0 Ų047.5 Ų47.50%024%0.238CC..EExtended strand (participates in β ladder)trans-122.2160.3-177.175.2173000111.4W5 L22 A318 M319 L321 L335 Y339 Y369 V370 Y371W5-I7 HydrophobicContact CB-CG2 4.33Å; I7-L22 HydrophobicContact CD1-CD1 3.87Å; I7-L22 HydrophobicContact CD1-CD2 4.13Å; I7-A318 CarbonylContact O-C 3.13Å; I7-A318 WeakPolarHBondContact O-CA 3.26Å; I7-M319 HydrophobicContact CD1-CE 4.41Å; I7-M319 HydrophobicContact CG1-CB 4.14Å; I7-M319 HydrophobicContact CG1-CE 4.36Å; I7-M319 PolarHBondContact N-O 3.04Å; I7-M319 PolarHBondContact O-N 3.46Å; I7-L321 HydrophobicContact CD1-CD1 3.57Å; I7-L321 HydrophobicContact CD1-CD2 4.34Å; I7-L321 HydrophobicContact CG1-CD1 3.6Å; I7-L321 HydrophobicContact CG2-CD1 4.41Å; I7-L335 HydrophobicContact CD1-CD2 4.07Å; I7-Y339 HydrophobicContact CD1-CE2 4.5Å; I7-Y369 HydrophobicContact CB-CD2 3.95Å; I7-Y369 HydrophobicContact CB-CE2 4.19Å; I7-Y369 HydrophobicContact CG2-CD2 4.02Å; I7-Y369 HydrophobicContact CG2-CE2 3.75Å; I7-V370 CarbonylContact C-O 3.58Å; I7-V370 WeakPolarHBondContact CA-O 3.46Å; I7-V370 WeakPolarHBondContact CB-O 3.26Å; I7-Y371 HydrophobicContact CG2-CD2 3.9Å
8S97.4Very high90.5Very high0 Ų044.9 Ų44.90%023%0.225CC..EExtended strand (participates in β ladder)trans-143.2140.8169.8171.20000110.9S306 Y310 F316 Q317 V370S8-S306 WeakPolarHBondContact CB-OG 3.38Å; S8-S306 PolarHBondContact OG-OG 3.27Å; S8-Y310 PolarHBondContact O-OH 2.91Å; S8-F316 WeakPolarHBondContact OG-CD2 3.33Å; S8-Q317 WeakPolarHBondContact CA-O 3.12Å; S8-V370 PolarHBondContact N-O 3.24Å; S8-V370 PolarHBondContact O-N 3.47Å; S8-V370 VanDerWaalsContact O-N 3.16Å
9A96.6Very high90.8Very high0 Ų044.4 Ų44.40%022%0.22CC..EExtended strand (participates in β ladder)trans-134.7151178.500000110.1T18 F316 Q317 M319 Y339A9-T18 HydrophobicContact CB-CG2 3.83Å; A9-F316 CarbonylContact O-C 3.55Å; A9-F316 WeakPolarHBondContact O-CA 2.89Å; A9-Q317 PolarHBondContact N-O 2.87Å; A9-Q317 PolarHBondContact O-N 2.86Å; A9-M319 HydrophobicContact CB-CE 4.23Å; A9-Y339 HydrophobicContact CB-CD1 3.99Å; A9-Y339 HydrophobicContact CB-CE1 3.39Å; A9-Y339 HydrophobicContact CB-CE2 4.5Å
10P94.7Very high91Very high29 Ų2947.2 Ų47.219%0.18823%0.232CC..EExtended strand (participates in β ladder)trans-67.3148.8-178.829.2-33.3000110.9E12 T18 Y310 N315 L342P10-E12 PolarHBondContact O-N 3.22Å; P10-E12 VanDerWaalsContact O-N 3.1Å; P10-T18 PolarHBondContact O-OG1 3.21Å; P10-T18 VanDerWaalsContact O-OG1 3.12Å; P10-Y310 HydrophobicContact CB-CD1 4.09Å; P10-Y310 HydrophobicContact CB-CD2 4.23Å; P10-Y310 HydrophobicContact CB-CG 3.9Å; P10-Y310 HydrophobicContact CG-CD1 4.09Å; P10-Y310 HydrophobicContact CG-CE1 4.22Å; P10-Y310 HydrophobicContact CG-CG 4.39Å; P10-N315 WeakPolarHBondContact CA-O 3.47Å; P10-L342 HydrophobicContact CG-CD1 4.19Å; P10-L342 HydrophobicContact CG-CD2 3.56Å
11G89.3Confident91.2Very high3 Ų348.5 Ų48.53%0.03124%0.237CC..  trans-71.498.6173.400000110.8K13 T18 N315G11-K13 PolarHBondContact O-N 3.4Å; G11-T18 WeakPolarHBondContact CA-OG1 3.25Å; G11-N315 WeakPolarHBondContact CA-OD1 3.24Å; G11-N315 PolarHBondContact N-O 3.36Å; G11-N315 PolarHBondContact O-ND2 3.42Å
12E81.1Confident93Very high100 Ų10040.8 Ų40.847%0.46720%0.199SC..SBendtrans-53-51.6-177.8-70.5179.8-167.200112.5P10 T18 K21P10-E12 PolarHBondContact O-N 3.22Å; P10-E12 VanDerWaalsContact O-N 3.1Å; E12-T18 PolarHBondContact N-OG1 3.34Å; E12-K21 IonicContact OE1-NZ 3.64Å; E12-K21 PolarHBondContact OE1-NZ 3.45Å; E12-K21 IonicContact OE2-NZ 2.7Å
13K83.1Confident93.5Very high168 Ų16842.9 Ų42.973%0.7321%0.206SC*.SBendtrans-122-38.8166.5-51-178.7179.4173.50111.6G11 Q17G11-K13 PolarHBondContact O-N 3.4Å; K13-Q17 VanDerWaalsContact CB-OE1 3.31Å
14T90.5Very high93.7Very high63 Ų6342.3 Ų42.339%0.38721%0.21SC..  trans-144.8155.317267.60000109.6Q16 Q17 T18T14-Q16 PolarHBondContact O-N 3.47Å; T14-Q17 PolarHBondContact O-N 3.22Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.4Å; T14-Q17 PolarHBondContact OG1-N 3.3Å; T14-Q17 VanDerWaalsContact OG1-N 3.16Å; T14-T18 PolarHBondContact O-N 3.48Å; T14-T18 PolarHBondContact O-OG1 3.31Å
15C93Very high93.5Very high38 Ų3843.2 Ų43.226%0.25722%0.217SC..Hα-helixtrans-58.2-33.6171.9-59.50000111.8T18 W19 F316 Q317C15-T18 PolarHBondContact O-N 3.07Å; C15-W19 PolarHBondContact O-N 2.91Å; C15-F316 PolarHBondContact SG-O 3.21Å; C15-Q317 HydrophobicContact CB-CB 3.98Å; C15-Q317 HydrophobicContact CB-CG 4.47Å; C15-Q317 PolarHBondContact O-OE1 2.9Å
16Q94Very high93.4Very high79 Ų7942.9 Ų42.937%0.36922%0.216SC..Hα-helixtrans-62.1-44.4177.1-179.662.124.600112.7T14 T18 W19 E20T14-Q16 PolarHBondContact O-N 3.47Å; Q16-T18 VanDerWaalsContact C-N 3.32Å; Q16-T18 PolarHBondContact O-N 3.13Å; Q16-W19 WeakPolarHBondContact O-CB 3.5Å; Q16-W19 PolarHBondContact O-N 2.7Å; Q16-E20 WeakPolarHBondContact CG-OE1 3.31Å; Q16-E20 PolarHBondContact NE2-OE1 2.92Å; Q16-E20 WeakPolarHBondContact O-CG 3.43Å; Q16-E20 PolarHBondContact O-N 3.38Å
17Q94.1Very high92.9Very high81 Ų8144.7 Ų44.738%0.37923%0.228SC..Hα-helixtrans-66.9-36.8178.5-74.7178.68.900111.9K13 T14 W19 E20 K21K13-Q17 VanDerWaalsContact CB-OE1 3.31Å; T14-Q17 PolarHBondContact O-N 3.22Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.4Å; T14-Q17 PolarHBondContact OG1-N 3.3Å; T14-Q17 VanDerWaalsContact OG1-N 3.16Å; Q17-W19 VanDerWaalsContact C-N 3.3Å; Q17-W19 PolarHBondContact O-N 3.34Å; Q17-E20 PolarHBondContact O-N 3.01Å; Q17-K21 WeakPolarHBondContact O-CB 3.26Å; Q17-K21 PolarHBondContact O-N 2.77Å
18T95.3Very high92.1Very high2 Ų253 Ų531%0.01227%0.265CS..Hα-helixtrans-61.8-42175.3-55.30000110.9A9 P10 G11 E12 T14 C15 Q16 L22 Q317 M319A9-T18 HydrophobicContact CB-CG2 3.83Å; P10-T18 PolarHBondContact O-OG1 3.21Å; P10-T18 VanDerWaalsContact O-OG1 3.12Å; G11-T18 WeakPolarHBondContact CA-OG1 3.25Å; E12-T18 PolarHBondContact N-OG1 3.34Å; T14-T18 PolarHBondContact O-N 3.48Å; T14-T18 PolarHBondContact O-OG1 3.31Å; C15-T18 PolarHBondContact O-N 3.07Å; Q16-T18 VanDerWaalsContact C-N 3.32Å; Q16-T18 PolarHBondContact O-N 3.13Å; T18-L22 PolarHBondContact O-N 3.16Å; T18-L22 VanDerWaalsContact O-N 3.16Å; T18-Q317 HydrophobicContact CG2-CB 4.26Å; T18-M319 HydrophobicContact CG2-CE 4.23Å
19W95.7Very high91Very high35 Ų3556.4 Ų56.413%0.13328%0.282CS..Hα-helixtrans-60.5-51.4172164.6-106.6000112.5C15 Q16 Q17 K21 L22 H23 T35 S36 K37 Q317 M319C15-W19 PolarHBondContact O-N 2.91Å; Q16-W19 WeakPolarHBondContact O-CB 3.5Å; Q16-W19 PolarHBondContact O-N 2.7Å; Q17-W19 VanDerWaalsContact C-N 3.3Å; Q17-W19 PolarHBondContact O-N 3.34Å; W19-K21 VanDerWaalsContact C-N 3.31Å; W19-K21 PolarHBondContact O-N 3.16Å; W19-L22 PolarHBondContact O-N 3.05Å; W19-H23 HydrophobicContact CZ2-CB 4.22Å; W19-H23 VanDerWaalsContact O-CB 3.28Å; W19-H23 WeakPolarHBondContact O-CB 3.47Å; W19-H23 PolarHBondContact O-N 2.62Å; W19-T35 WeakPolarHBondContact CH2-OG1 3.46Å; W19-S36 VanDerWaalsContact CH2-C 3.5Å; W19-S36 VanDerWaalsContact CZ3-C 3.45Å; W19-S36 WeakPolarHBondContact CZ3-O 3.19Å; W19-K37 HydrophobicContact CD2-CD 4.42Å; W19-K37 HydrophobicContact CD2-CG 3.68Å; W19-K37 HydrophobicContact CE3-CG 3.81Å; W19-K37 HydrophobicContact CG-CD 4.39Å; W19-K37 VanDerWaalsContact CG-CE 3.41Å; W19-K37 HydrophobicContact CG-CG 4.12Å; W19-K37 HydrophobicContact CH2-CG 4.45Å; W19-K37 HydrophobicContact CZ2-CG 4.35Å; W19-K37 HydrophobicContact CZ3-CG 4.2Å; W19-Q317 HydrophobicContact CB-CG 4.1Å; W19-M319 HydrophobicContact CB-SD 4.45Å; W19-M319 HydrophobicContact CE3-CB 4.44Å; W19-M319 HydrophobicContact CE3-CG 3.75Å; W19-M319 HydrophobicContact CE3-SD 3.74Å; W19-M319 HydrophobicContact CZ3-CB 4.38Å; W19-M319 HydrophobicContact CZ3-CG 4.17Å; W19-M319 HydrophobicContact CZ3-SD 4.45Å
20E95.4Very high90.1Very high99 Ų9963.3 Ų63.346%0.46332%0.319SS..Hα-helixtrans-61.1-40.1-178.7-73.9168.4-173.700112.1Q16 Q17 H23 A24Q16-E20 WeakPolarHBondContact CG-OE1 3.31Å; Q16-E20 PolarHBondContact NE2-OE1 2.92Å; Q16-E20 WeakPolarHBondContact O-CG 3.43Å; Q16-E20 PolarHBondContact O-N 3.38Å; Q17-E20 PolarHBondContact O-N 3.01Å; E20-H23 PolarHBondContact O-N 3.4Å; E20-A24 VanDerWaalsContact O-CB 3.23Å; E20-A24 WeakPolarHBondContact O-CB 3.31Å; E20-A24 PolarHBondContact O-N 3.02Å
21K94.9Very high89.7Confident75 Ų7567.3 Ų67.333%0.32634%0.339SS..Hα-helixtrans-61.4-49.9176.8-169-174.4-173.8-177.50111.3E12 Q17 W19 A25 L338E12-K21 IonicContact OE1-NZ 3.64Å; E12-K21 PolarHBondContact OE1-NZ 3.45Å; E12-K21 IonicContact OE2-NZ 2.7Å; Q17-K21 WeakPolarHBondContact O-CB 3.26Å; Q17-K21 PolarHBondContact O-N 2.77Å; W19-K21 VanDerWaalsContact C-N 3.31Å; W19-K21 PolarHBondContact O-N 3.16Å; K21-A25 WeakPolarHBondContact O-CB 3.24Å; K21-A25 PolarHBondContact O-N 3.22Å; K21-A25 VanDerWaalsContact O-N 3.08Å; K21-L338 HydrophobicContact CD-CD2 4.18Å; K21-L338 HydrophobicContact CG-CD2 3.95Å
22L95.4Very high89.9Confident0 Ų067.2 Ų67.20%034%0.338CS..Hα-helixtrans-60.9-49.6175.7-178.784.4000111.2I7 T18 W19 A24 A25 T26 M319 L321 L335 L338 Y339I7-L22 HydrophobicContact CD1-CD1 3.87Å; I7-L22 HydrophobicContact CD1-CD2 4.13Å; T18-L22 PolarHBondContact O-N 3.16Å; T18-L22 VanDerWaalsContact O-N 3.16Å; W19-L22 PolarHBondContact O-N 3.05Å; L22-A24 VanDerWaalsContact C-N 3.33Å; L22-A24 PolarHBondContact O-N 3.18Å; L22-A25 PolarHBondContact O-N 3.46Å; L22-T26 HydrophobicContact CD1-CG2 4.39Å; L22-T26 HydrophobicContact CG-CG2 4.39Å; L22-T26 WeakPolarHBondContact O-CB 3.39Å; L22-T26 WeakPolarHBondContact O-CG2 3.39Å; L22-T26 PolarHBondContact O-N 2.93Å; L22-T26 PolarHBondContact O-OG1 3.11Å; L22-M319 HydrophobicContact CB-CE 4.46Å; L22-M319 HydrophobicContact CB-SD 3.94Å; L22-M319 HydrophobicContact CD2-CB 3.87Å; L22-M319 HydrophobicContact CD2-CE 3.94Å; L22-M319 HydrophobicContact CD2-CG 4.15Å; L22-M319 HydrophobicContact CD2-SD 3.32Å; L22-M319 WeakPolarHBondContact CD2-SD 3.49Å; L22-M319 HydrophobicContact CG-SD 4.19Å; L22-L321 HydrophobicContact CD2-CD1 3.91Å; L22-L321 HydrophobicContact CD2-CG 4.4Å; L22-L335 HydrophobicContact CD1-CD2 3.34Å; L22-L338 HydrophobicContact CD1-CD1 4.18Å; L22-Y339 HydrophobicContact CD1-CE2 4.06Å
23H94.5Very high90.5Very high76 Ų7662.8 Ų62.835%0.35232%0.319SS..Hα-helixtrans-61.7-41.5-176.1-176.259.9000111.7W19 E20 T26 S27 T35W19-H23 HydrophobicContact CZ2-CB 4.22Å; W19-H23 VanDerWaalsContact O-CB 3.28Å; W19-H23 WeakPolarHBondContact O-CB 3.47Å; W19-H23 PolarHBondContact O-N 2.62Å; E20-H23 PolarHBondContact O-N 3.4Å; H23-T26 PolarHBondContact O-OG1 3.23Å; H23-S27 PolarHBondContact CE1-OG 2.82Å; H23-S27 WeakPolarHBondContact O-CB 3.47Å; H23-S27 PolarHBondContact O-N 3Å; H23-S27 PolarHBondContact O-OG 3.35Å; H23-T35 PolarHBondContact ND1-OG1 2.9Å
24A93.9Very high91Very high35 Ų3559.8 Ų59.829%0.28931%0.314SS..Hα-helixtrans-64.6-45175.100000111.8E20 L22 T26 K28E20-A24 VanDerWaalsContact O-CB 3.23Å; E20-A24 WeakPolarHBondContact O-CB 3.31Å; E20-A24 PolarHBondContact O-N 3.02Å; L22-A24 VanDerWaalsContact C-N 3.33Å; L22-A24 PolarHBondContact O-N 3.18Å; A24-T26 VanDerWaalsContact C-N 3.32Å; A24-T26 PolarHBondContact O-N 2.98Å; A24-K28 WeakPolarHBondContact O-CB 3.48Å; A24-K28 WeakPolarHBondContact O-CG 3.18Å; A24-K28 PolarHBondContact O-N 3.23Å
25A93.5Very high91.2Very high18 Ų1857.6 Ų57.615%0.14930%0.301CS..Hα-helixtrans-67.4-30.7-178.400000113.3K21 L22 N29 V334 L338K21-A25 WeakPolarHBondContact O-CB 3.24Å; K21-A25 PolarHBondContact O-N 3.22Å; K21-A25 VanDerWaalsContact O-N 3.08Å; L22-A25 PolarHBondContact O-N 3.46Å; A25-N29 PolarHBondContact O-ND2 3.44Å; A25-V334 HydrophobicContact CB-CG1 3.82Å; A25-L338 HydrophobicContact CB-CD1 3.74Å; A25-L338 HydrophobicContact CB-CD2 4.19Å; A25-L338 HydrophobicContact CB-CG 4.32Å
26T93Very high91.3Very high0 Ų057.3 Ų57.30%030%0.299CS..Hα-helixtrans-87.7-34.5-179.650.80000112.9L22 H23 A24 L32 T35 L321 L331L22-T26 HydrophobicContact CD1-CG2 4.39Å; L22-T26 HydrophobicContact CG-CG2 4.39Å; L22-T26 WeakPolarHBondContact O-CB 3.39Å; L22-T26 WeakPolarHBondContact O-CG2 3.39Å; L22-T26 PolarHBondContact O-N 2.93Å; L22-T26 PolarHBondContact O-OG1 3.11Å; H23-T26 PolarHBondContact O-OG1 3.23Å; A24-T26 VanDerWaalsContact C-N 3.32Å; A24-T26 PolarHBondContact O-N 2.98Å; T26-L32 PolarHBondContact O-N 3.41Å; T26-T35 HydrophobicContact CG2-CG2 4.33Å; T26-T35 VanDerWaalsContact OG1-CG2 3.31Å; T26-T35 WeakPolarHBondContact OG1-CG2 3.35Å; T26-L321 HydrophobicContact CG2-CD2 4.34Å; T26-L331 HydrophobicContact CG2-CD1 3.71Å
27S88.2Confident91.4Very high38 Ų3857 Ų5727%0.26630%0.296SS..Hα-helixtrans-78.2-44.8178.2-56.80000113H23 N29 N31H23-S27 PolarHBondContact CE1-OG 2.82Å; H23-S27 WeakPolarHBondContact O-CB 3.47Å; H23-S27 PolarHBondContact O-N 3Å; H23-S27 PolarHBondContact O-OG 3.35Å; S27-N29 VanDerWaalsContact C-N 3.25Å; S27-N29 PolarHBondContact O-N 3.45Å; S27-N31 PolarHBondContact O-N 3.5Å; S27-N31 PolarHBondContact O-OD1 3.33Å
28K80.2Confident91.6Very high175 Ų17553.4 Ų53.476%0.76128%0.279SS*.THydrogen-bonded Turntrans-65.9-25.3-176.2-70178.6178.9-1780113.6A24 N30A24-K28 WeakPolarHBondContact O-CB 3.48Å; A24-K28 WeakPolarHBondContact O-CG 3.18Å; A24-K28 PolarHBondContact O-N 3.23Å; K28-N30 PolarHBondContact O-N 3.31Å
29N75.3Confident91.6Very high70 Ų7058.2 Ų58.237%0.37431%0.305SS..THydrogen-bonded Turntrans-93.360.2-175.8-75.1-44.6000112.4A25 S27 N31 L32A25-N29 PolarHBondContact O-ND2 3.44Å; S27-N29 VanDerWaalsContact C-N 3.25Å; S27-N29 PolarHBondContact O-N 3.45Å; N29-N31 PolarHBondContact O-N 3.04Å; N29-L32 HydrophobicContact CB-CD1 3.64Å; N29-L32 HydrophobicContact CB-CD2 4.32Å; N29-L32 HydrophobicContact CB-CG 3.82Å; N29-L32 WeakPolarHBondContact O-CD2 3.29Å; N29-L32 WeakPolarHBondContact O-CG 3.47Å
30N77.6Confident91.6Very high145 Ų14558 Ų5878%0.77531%0.307SS*.THydrogen-bonded Turntrans61.435.1179.7-60.7-24.8000114.8K28K28-N30 PolarHBondContact O-N 3.31Å
31N86.5Confident91.7Very high113 Ų11354.8 Ų54.860%0.60429%0.294SS*.  trans53.361.2179.4-62.1-40.3000112.8S27 N29 A33S27-N31 PolarHBondContact O-N 3.5Å; S27-N31 PolarHBondContact O-OD1 3.33Å; N29-N31 PolarHBondContact O-N 3.04Å; N31-A33 PolarHBondContact O-N 2.87Å
32L92.9Very high91.6Very high2 Ų258.2 Ų58.21%0.0132%0.316CS..  trans-61.4-31.8-177.1-60.9179.5000112.9T26 N29 N324 T327 K330 L331 V334T26-L32 PolarHBondContact O-N 3.41Å; N29-L32 HydrophobicContact CB-CD1 3.64Å; N29-L32 HydrophobicContact CB-CD2 4.32Å; N29-L32 HydrophobicContact CB-CG 3.82Å; N29-L32 WeakPolarHBondContact O-CD2 3.29Å; N29-L32 WeakPolarHBondContact O-CG 3.47Å; L32-N324 WeakPolarHBondContact O-CB 3.43Å; L32-N324 PolarHBondContact O-N 2.94Å; L32-T327 HydrophobicContact CD2-CG2 4.14Å; L32-T327 PolarHBondContact O-OG1 2.84Å; L32-K330 HydrophobicContact CD1-CG 4.29Å; L32-K330 HydrophobicContact CD2-CB 4.05Å; L32-K330 HydrophobicContact CD2-CG 3.81Å; L32-L331 HydrophobicContact CB-CB 4.22Å; L32-L331 HydrophobicContact CB-CD1 3.84Å; L32-L331 HydrophobicContact CD1-CD1 4.32Å; L32-V334 HydrophobicContact CD1-CB 4.14Å; L32-V334 HydrophobicContact CD1-CG1 4.48Å; L32-V334 HydrophobicContact CD1-CG2 3.75Å
33A93.6Very high91.6Very high7 Ų758.7 Ų58.76%0.05832%0.319CS..EExtended strand (participates in β ladder)trans-156152.8178.200000110.6N31 T35 L321 Q322 L331N31-A33 PolarHBondContact O-N 2.87Å; A33-T35 HydrophobicContact CB-CG2 4.36Å; A33-L321 HydrophobicContact CB-CB 4.14Å; A33-L321 HydrophobicContact CB-CD2 4.44Å; A33-Q322 CarbonylContact C-O 3.4Å; A33-Q322 VanDerWaalsContact CA-O 3.23Å; A33-Q322 WeakPolarHBondContact CA-O 3.32Å; A33-Q322 WeakPolarHBondContact CB-O 3.49Å; A33-L331 HydrophobicContact CB-CD1 4.3Å; A33-L331 HydrophobicContact CB-CD2 3.93Å
34V93.2Very high91.6Very high104 Ų10461 Ų6163%0.6333%0.327SS*.EExtended strand (participates in β ladder)trans-83.4124.6160.6-178.30000107.3L321 Q322V34-L321 CarbonylContact O-C 3.56Å; V34-Q322 HydrophobicContact CB-CB 4.26Å; V34-Q322 PolarHBondContact N-O 3.12Å; V34-Q322 PolarHBondContact O-N 2.78Å
35T94.8Very high91.6Very high18 Ų1860.7 Ų60.711%0.1132%0.322CS..EExtended strand (participates in β ladder)trans-113.2141.4-175.663.10000111.1W19 H23 T26 A33 L320 L321W19-T35 WeakPolarHBondContact CH2-OG1 3.46Å; H23-T35 PolarHBondContact ND1-OG1 2.9Å; T26-T35 HydrophobicContact CG2-CG2 4.33Å; T26-T35 VanDerWaalsContact OG1-CG2 3.31Å; T26-T35 WeakPolarHBondContact OG1-CG2 3.35Å; A33-T35 HydrophobicContact CB-CG2 4.36Å; T35-L320 CarbonylContact C-O 3.46Å; T35-L320 WeakPolarHBondContact CA-O 3.38Å; T35-L321 HydrophobicContact CG2-CG 3.98Å
36S95.4Very high91.5Very high31 Ų3162.7 Ų62.722%0.21734%0.344CS..EExtended strand (participates in β ladder)trans-135.2158.5166.861.30000111W19 L320W19-S36 VanDerWaalsContact CH2-C 3.5Å; W19-S36 VanDerWaalsContact CZ3-C 3.45Å; W19-S36 WeakPolarHBondContact CZ3-O 3.19Å; S36-L320 PolarHBondContact N-O 3.2Å; S36-L320 PolarHBondContact O-N 3.26Å
37K96.3Very high91.5Very high73 Ų7366.6 Ų66.632%0.31737%0.368SS..EExtended strand (participates in β ladder)trans-70.6142167.7-68.2-175.5178.3-175.40109.3W19W19-K37 HydrophobicContact CD2-CD 4.42Å; W19-K37 HydrophobicContact CD2-CG 3.68Å; W19-K37 HydrophobicContact CE3-CG 3.81Å; W19-K37 HydrophobicContact CG-CD 4.39Å; W19-K37 VanDerWaalsContact CG-CE 3.41Å; W19-K37 HydrophobicContact CG-CG 4.12Å; W19-K37 HydrophobicContact CH2-CG 4.45Å; W19-K37 HydrophobicContact CZ2-CG 4.35Å; W19-K37 HydrophobicContact CZ3-CG 4.2Å
38F97.6Very high91.6Very high5 Ų570.5 Ų70.52%0.02239%0.386CS..  trans-110.3104.1173.2-170.3-90.8000108.5L6 I40 F105 I295 A299 A318 L320L6-F38 HydrophobicContact CD1-CB 3.72Å; L6-F38 HydrophobicContact CD1-CD1 3.7Å; L6-F38 HydrophobicContact CD1-CD2 3.79Å; L6-F38 HydrophobicContact CD1-CE1 4.23Å; L6-F38 HydrophobicContact CD1-CE2 4.3Å; L6-F38 HydrophobicContact CD1-CG 3.44Å; L6-F38 VanDerWaalsContact CD1-CG 3.44Å; L6-F38 HydrophobicContact CD1-CZ 4.5Å; L6-F38 HydrophobicContact CD2-CD1 4.48Å; L6-F38 HydrophobicContact CD2-CE1 4.23Å; L6-F38 HydrophobicContact CD2-CZ 4.28Å; F38-I40 HydrophobicContact CD1-CD1 4.15Å; F38-I40 HydrophobicContact CD1-CG1 3.78Å; F38-I40 HydrophobicContact CE1-CD1 4.31Å; F38-I40 HydrophobicContact CE1-CG1 3.93Å; F38-I40 PolarHBondContact O-N 3.23Å; F38-F105 HydrophobicContact CD1-CD1 4.25Å; F38-F105 HydrophobicContact CD2-CB 4.06Å; F38-F105 HydrophobicContact CD2-CD1 4.16Å; F38-F105 HydrophobicContact CD2-CG 4.35Å; F38-F105 AromaticContact CE1-CD1 3.62Å; F38-F105 HydrophobicContact CE1-CD1 3.62Å; F38-F105 AromaticContact CE1-CE1 3.71Å; F38-F105 HydrophobicContact CE1-CE1 3.71Å; F38-F105 HydrophobicContact CE1-CG 4.4Å; F38-F105 HydrophobicContact CE2-CB 3.54Å; F38-F105 AromaticContact CE2-CD1 3.53Å; F38-F105 HydrophobicContact CE2-CD1 3.53Å; F38-F105 HydrophobicContact CE2-CD2 4.34Å; F38-F105 HydrophobicContact CE2-CE1 4.32Å; F38-F105 AromaticContact CE2-CG 3.53Å; F38-F105 HydrophobicContact CE2-CG 3.53Å; F38-F105 HydrophobicContact CG-CD1 4.49Å; F38-F105 HydrophobicContact CZ-CB 4.12Å; F38-F105 AromaticContact CZ-CD1 3.22Å; F38-F105 HydrophobicContact CZ-CD1 3.22Å; F38-F105 HydrophobicContact CZ-CD2 4.17Å; F38-F105 AromaticContact CZ-CE1 3.56Å; F38-F105 HydrophobicContact CZ-CE1 3.56Å; F38-F105 HydrophobicContact CZ-CE2 4.44Å; F38-F105 AromaticContact CZ-CG 3.56Å; F38-F105 HydrophobicContact CZ-CG 3.56Å; F38-F105 HydrophobicContact CZ-CZ 4.16Å; F38-I295 HydrophobicContact CE2-CG2 4.11Å; F38-I295 HydrophobicContact CZ-CG2 3.96Å; F38-A299 HydrophobicContact CE1-CB 3.7Å; F38-A299 HydrophobicContact CZ-CB 4.12Å; F38-A318 HydrophobicContact CB-CB 4.25Å; F38-A318 HydrophobicContact CD1-CB 4.37Å; F38-A318 PolarHBondContact N-O 3.34Å; F38-A318 WeakPolarHBondContact O-CB 2.76Å; F38-L320 HydrophobicContact CB-CB 4.44Å
39N95.4Very high92.2Very high103 Ų10368.6 Ų68.655%0.55138%0.384SS*.  trans-81.9110.3-169.3-66.5-18000110.8
40I96.6Very high93Very high32 Ų3268.3 Ų68.316%0.16438%0.384CS..  trans-104128.8171.3-55.9176.4000107.1F38 L43 A299 V302 F303 F316 A318F38-I40 HydrophobicContact CD1-CD1 4.15Å; F38-I40 HydrophobicContact CD1-CG1 3.78Å; F38-I40 HydrophobicContact CE1-CD1 4.31Å; F38-I40 HydrophobicContact CE1-CG1 3.93Å; F38-I40 PolarHBondContact O-N 3.23Å; I40-L43 HydrophobicContact CG2-CD1 3.95Å; I40-L43 HydrophobicContact CG2-CG 4.47Å; I40-A299 HydrophobicContact CG1-CB 4.41Å; I40-V302 HydrophobicContact CD1-CB 3.96Å; I40-V302 HydrophobicContact CD1-CG1 3.75Å; I40-F303 HydrophobicContact CG2-CB 4.33Å; I40-F303 HydrophobicContact CG2-CD2 3.97Å; I40-F316 HydrophobicContact CD1-CE2 4.37Å; I40-A318 HydrophobicContact CD1-CB 3.8Å; I40-A318 HydrophobicContact CG1-CB 4.31Å
41P96.3Very high93.9Very high30 Ų3061.6 Ų61.620%0.19535%0.348CS..  trans-72.4172.2178.632.1-36.8000111.7L43 W107 I114P41-L43 HydrophobicContact CG-CD2 4.05Å; P41-L43 HydrophobicContact CG-CG 4.34Å; P41-L43 PolarHBondContact O-N 2.57Å; P41-W107 HydrophobicContact CG-CB 3.87Å; P41-W107 HydrophobicContact CG-CD2 3.81Å; P41-W107 HydrophobicContact CG-CE3 4.3Å; P41-W107 HydrophobicContact CG-CG 3.58Å; P41-I114 HydrophobicContact CB-CG2 3.99Å; P41-I114 HydrophobicContact CG-CG2 3.65Å
42D93.8Very high94.3Very high147 Ų14759.6 Ų59.679%0.78634%0.34SS*.  trans-68.893.3173.1-62-40.9000110.6
43L96.2Very high94.4Very high11 Ų1161.1 Ų61.16%0.05836%0.357CS..  trans-85.6150.2177.2-60.4171.5000111.1I40 P41 V45 W107 I114 L118 I121 L300 F303I40-L43 HydrophobicContact CG2-CD1 3.95Å; I40-L43 HydrophobicContact CG2-CG 4.47Å; P41-L43 HydrophobicContact CG-CD2 4.05Å; P41-L43 HydrophobicContact CG-CG 4.34Å; P41-L43 PolarHBondContact O-N 2.57Å; L43-V45 PolarHBondContact O-N 3.12Å; L43-V45 VanDerWaalsContact O-N 3.08Å; L43-W107 HydrophobicContact CD1-CH2 4.25Å; L43-W107 HydrophobicContact CD1-CZ3 4.38Å; L43-W107 HydrophobicContact CD2-CH2 4.29Å; L43-W107 HydrophobicContact CD2-CZ2 3.98Å; L43-I114 HydrophobicContact CD2-CB 4.24Å; L43-I114 HydrophobicContact CD2-CG2 3.8Å; L43-L118 HydrophobicContact CB-CD2 3.7Å; L43-L118 HydrophobicContact CD1-CD2 3.77Å; L43-L118 HydrophobicContact CG-CD2 4.23Å; L43-I121 HydrophobicContact CD2-CD1 4.41Å; L43-L300 HydrophobicContact CD1-CD2 3.98Å; L43-F303 HydrophobicContact CB-CD1 4.39Å; L43-F303 HydrophobicContact CB-CD2 4.25Å; L43-F303 HydrophobicContact CB-CE1 4.05Å; L43-F303 HydrophobicContact CB-CE2 3.89Å; L43-F303 HydrophobicContact CB-CG 4.5Å; L43-F303 HydrophobicContact CB-CZ 3.78Å; L43-F303 HydrophobicContact CD1-CB 4.22Å; L43-F303 HydrophobicContact CD1-CD1 4.28Å; L43-F303 HydrophobicContact CD1-CD2 4.01Å; L43-F303 HydrophobicContact CD1-CE2 4.49Å; L43-F303 HydrophobicContact CD1-CG 3.9Å; L43-F303 HydrophobicContact CG-CD2 4.42Å; L43-F303 HydrophobicContact CG-CE2 4.46Å; L43-F303 WeakPolarHBondContact O-CZ 3.31Å
44K94.2Very high94.5Very high124 Ų12461 Ų6154%0.53936%0.355SS..BIsolated β-bridgetrans-68.4106.9175-76.1-173172.9177.40111.1G46 K115 L118K44-G46 PolarHBondContact O-N 3.26Å; K44-K115 WeakPolarHBondContact CD-O 3.46Å; K44-K115 WeakPolarHBondContact CE-O 3.33Å; K44-K115 PolarHBondContact NZ-O 3.32Å; K44-L118 WeakPolarHBondContact O-CG 3.42Å
45V92.2Very high94.7Very high28 Ų2857 Ų5717%0.1733%0.332CS..  trans-53.9-46.2-178.7179.80000113.1L43 L51 F303 V307 L312 V314L43-V45 PolarHBondContact O-N 3.12Å; L43-V45 VanDerWaalsContact O-N 3.08Å; V45-L51 HydrophobicContact CG1-CD1 3.76Å; V45-L51 VanDerWaalsContact O-CD2 3.28Å; V45-L51 WeakPolarHBondContact O-CD2 3.33Å; V45-F303 HydrophobicContact CG2-CE1 4.33Å; V45-F303 HydrophobicContact CG2-CZ 3.96Å; V45-V307 HydrophobicContact CG1-CG1 3.91Å; V45-L312 HydrophobicContact CG1-CD1 4.38Å; V45-L312 HydrophobicContact CG1-CD2 4.11Å; V45-L312 HydrophobicContact CG2-CD2 4.16Å; V45-V314 HydrophobicContact CG2-CG2 3.65Å
46G91.7Very high94.7Very high60 Ų6061 Ų6162%0.61935%0.352SS*.  trans77.5-156.7-170.300000112.2K44K44-G46 PolarHBondContact O-N 3.26Å
47T92.8Very high94.8Very high83 Ų8363.8 Ų63.851%0.50936%0.362SS..  trans-95.9158177.160.70000111D49 V50 L51T47-D49 VanDerWaalsContact C-N 3.3Å; T47-D49 PolarHBondContact O-N 2.89Å; T47-V50 PolarHBondContact O-N 3.35Å; T47-V50 VanDerWaalsContact OG1-CG2 3.28Å; T47-V50 WeakPolarHBondContact OG1-CG2 3.17Å; T47-V50 PolarHBondContact OG1-N 2.98Å; T47-L51 WeakPolarHBondContact O-CG 3.47Å; T47-L51 PolarHBondContact O-N 3.1Å; T47-L51 VanDerWaalsContact O-N 3.08Å
48L90.9Very high94.9Very high120 Ų12060.3 Ų60.363%0.62835%0.347SS*.Hα-helixtrans-57.5-42.9178.3-175.264.8000112.2V50 L51 V52 L308L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 3.35Å; L48-L51 WeakPolarHBondContact O-CB 3.37Å; L48-L51 PolarHBondContact O-N 2.79Å; L48-L51 VanDerWaalsContact O-N 3.12Å; L48-V52 WeakPolarHBondContact O-CG2 3.41Å; L48-V52 PolarHBondContact O-N 3.39Å; L48-L308 HydrophobicContact CD1-CD2 3.53Å
49D92.1Very high94.9Very high135 Ų13561.4 Ų61.472%0.72236%0.357SS*.Hα-helixtrans-56.2-45.6176.3-17879.3000112.5T47 L51 V52 G53T47-D49 VanDerWaalsContact C-N 3.3Å; T47-D49 PolarHBondContact O-N 2.89Å; D49-L51 VanDerWaalsContact C-N 3.34Å; D49-L51 PolarHBondContact O-N 3.43Å; D49-V52 PolarHBondContact O-N 3.08Å; D49-G53 PolarHBondContact O-N 3.16Å
50V93.3Very high95.1Very high64 Ų6464 Ų6439%0.38836%0.363SS..Hα-helixtrans-64.4-38.9176.5170.10000111.4T47 L48 L54T47-V50 PolarHBondContact O-N 3.35Å; T47-V50 VanDerWaalsContact OG1-CG2 3.28Å; T47-V50 WeakPolarHBondContact OG1-CG2 3.17Å; T47-V50 PolarHBondContact OG1-N 2.98Å; L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 3.35Å; V50-L54 WeakPolarHBondContact O-CB 3.34Å; V50-L54 PolarHBondContact O-N 3.02Å
51L95.4Very high95.2Very high3 Ų363.3 Ų63.32%0.01636%0.36CS..Hα-helixtrans-66.9-40.3179.3-70.3175000112.6V45 T47 L48 D49 L54 S55 L118 V304 V307 L308V45-L51 HydrophobicContact CG1-CD1 3.76Å; V45-L51 VanDerWaalsContact O-CD2 3.28Å; V45-L51 WeakPolarHBondContact O-CD2 3.33Å; T47-L51 WeakPolarHBondContact O-CG 3.47Å; T47-L51 PolarHBondContact O-N 3.1Å; T47-L51 VanDerWaalsContact O-N 3.08Å; L48-L51 WeakPolarHBondContact O-CB 3.37Å; L48-L51 PolarHBondContact O-N 2.79Å; L48-L51 VanDerWaalsContact O-N 3.12Å; D49-L51 VanDerWaalsContact C-N 3.34Å; D49-L51 PolarHBondContact O-N 3.43Å; L51-L54 PolarHBondContact O-N 2.84Å; L51-S55 PolarHBondContact O-N 2.95Å; L51-L118 HydrophobicContact CD2-CD1 3.68Å; L51-V304 HydrophobicContact CB-CG1 4.39Å; L51-V304 HydrophobicContact CD2-CB 4.46Å; L51-V304 HydrophobicContact CD2-CG1 4.17Å; L51-V304 HydrophobicContact CD2-CG2 3.98Å; L51-V304 WeakPolarHBondContact O-CG1 3.36Å; L51-V307 HydrophobicContact CD1-CB 4.23Å; L51-V307 HydrophobicContact CD1-CG1 3.62Å; L51-L308 HydrophobicContact CB-CD2 3.71Å; L51-L308 HydrophobicContact CB-CG 4.16Å; L51-L308 HydrophobicContact CD1-CD2 4.43Å
52V95.1Very high95.3Very high71 Ų7162.1 Ų62.143%0.4335%0.352SS..Hα-helixtrans-61-52.3177.7172.70000110L48 D49 L54 S55 L308L48-V52 WeakPolarHBondContact O-CG2 3.41Å; L48-V52 PolarHBondContact O-N 3.39Å; D49-V52 PolarHBondContact O-N 3.08Å; V52-L54 VanDerWaalsContact C-N 3.3Å; V52-L54 PolarHBondContact O-N 2.94Å; V52-S55 WeakPolarHBondContact O-CB 3.43Å; V52-S55 PolarHBondContact O-N 3.21Å; V52-L308 HydrophobicContact CG2-CD2 3.92Å
53G94.8Very high95.5Very high35 Ų3558.1 Ų58.136%0.36134%0.339SS..Hα-helixtrans-61.8-38.1176.800000113D49 S55 D56 E57D49-G53 PolarHBondContact O-N 3.16Å; G53-S55 VanDerWaalsContact C-N 3.32Å; G53-S55 PolarHBondContact O-N 2.65Å; G53-D56 PolarHBondContact O-N 2.9Å; G53-E57 WeakPolarHBondContact O-CG 3.21Å; G53-E57 PolarHBondContact O-N 3Å
54L96.4Very high95.6Very high3 Ų360.9 Ų60.92%0.01635%0.351CS..Hα-helixtrans-68.9-28.3179.3-171.763.7000112.9V50 L51 V52 E57 L58 L118 V304V50-L54 WeakPolarHBondContact O-CB 3.34Å; V50-L54 PolarHBondContact O-N 3.02Å; L51-L54 PolarHBondContact O-N 2.84Å; V52-L54 VanDerWaalsContact C-N 3.3Å; V52-L54 PolarHBondContact O-N 2.94Å; L54-E57 HydrophobicContact CD1-CB 4.44Å; L54-E57 PolarHBondContact O-N 3.24Å; L54-L58 HydrophobicContact CD1-CD1 4.43Å; L54-L58 HydrophobicContact CD1-CD2 4.49Å; L54-L58 HydrophobicContact CD1-CG 4.04Å; L54-L58 HydrophobicContact CD2-CD1 4.26Å; L54-L58 HydrophobicContact CG-CD1 3.82Å; L54-L58 HydrophobicContact CG-CG 3.93Å; L54-L58 VanDerWaalsContact O-CB 3.29Å; L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 WeakPolarHBondContact O-CG 3.28Å; L54-L58 PolarHBondContact O-N 2.73Å; L54-L118 HydrophobicContact CD2-CB 3.34Å; L54-L118 HydrophobicContact CD2-CD1 4.16Å; L54-L118 HydrophobicContact CD2-CG 4.39Å; L54-V304 HydrophobicContact CD2-CG2 3.99Å; L54-V304 HydrophobicContact CG-CG2 4.47Å
55S96.9Very high95.8Very high22 Ų2255 Ų5515%0.15433%0.325CS..Hα-helixtrans-60.2-46.8177-1690000111.5L51 V52 G53 L58 A59 E305L51-S55 PolarHBondContact O-N 2.95Å; V52-S55 WeakPolarHBondContact O-CB 3.43Å; V52-S55 PolarHBondContact O-N 3.21Å; G53-S55 VanDerWaalsContact C-N 3.32Å; G53-S55 PolarHBondContact O-N 2.65Å; S55-L58 PolarHBondContact O-N 3.43Å; S55-A59 PolarHBondContact O-N 3.41Å; S55-E305 PolarHBondContact OG-OE2 3.03Å
56D95.8Very high96Very high101 Ų10155.9 Ų55.954%0.5433%0.327SS..Hα-helixtrans-67.3-41.6176.9-72.6-29.7000112.3G53 A59 K60G53-D56 PolarHBondContact O-N 2.9Å; D56-A59 PolarHBondContact O-N 3.25Å; D56-K60 PolarHBondContact O-N 2.88Å
57E97.4Very high96.3Very high89 Ų8954.2 Ų54.242%0.41631%0.311SS..Hα-helixtrans-62.3-44.4176.6-72179.3177.700111.5G53 L54 A59 K60 L61G53-E57 WeakPolarHBondContact O-CG 3.21Å; G53-E57 PolarHBondContact O-N 3Å; L54-E57 HydrophobicContact CD1-CB 4.44Å; L54-E57 PolarHBondContact O-N 3.24Å; E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 3.23Å; E57-K60 PolarHBondContact O-N 3.4Å; E57-L61 WeakPolarHBondContact O-CB 3.47Å; E57-L61 PolarHBondContact O-N 3Å
58L98.4Very high96.6Very high0 Ų050.3 Ų50.30%029%0.286CS..Hα-helixtrans-67.1-32.2177.6-72.3172.7000112.2L54 S55 L61 D62 V297 L300 R301 V304L54-L58 HydrophobicContact CD1-CD1 4.43Å; L54-L58 HydrophobicContact CD1-CD2 4.49Å; L54-L58 HydrophobicContact CD1-CG 4.04Å; L54-L58 HydrophobicContact CD2-CD1 4.26Å; L54-L58 HydrophobicContact CG-CD1 3.82Å; L54-L58 HydrophobicContact CG-CG 3.93Å; L54-L58 VanDerWaalsContact O-CB 3.29Å; L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 WeakPolarHBondContact O-CG 3.28Å; L54-L58 PolarHBondContact O-N 2.73Å; S55-L58 PolarHBondContact O-N 3.43Å; L58-L61 HydrophobicContact CD2-CD2 4.32Å; L58-L61 PolarHBondContact O-N 3.42Å; L58-D62 VanDerWaalsContact O-CB 3.22Å; L58-D62 WeakPolarHBondContact O-CB 3.5Å; L58-D62 PolarHBondContact O-N 2.95Å; L58-V297 HydrophobicContact CD2-CG1 4.45Å; L58-L300 HydrophobicContact CD1-CB 3.95Å; L58-L300 HydrophobicContact CD2-CB 3.97Å; L58-L300 HydrophobicContact CD2-CD1 4Å; L58-R301 HydrophobicContact CB-CG 3.69Å; L58-R301 HydrophobicContact CD1-CG 4.38Å; L58-V304 HydrophobicContact CD1-CB 4.22Å; L58-V304 HydrophobicContact CD1-CG2 3.72Å
59A97.8Very high96.9Very high28 Ų2844.6 Ų44.623%0.23126%0.257CS..Hα-helixtrans-63.7-44.3174.300000112S55 D56 E57 A63S55-A59 PolarHBondContact O-N 3.41Å; D56-A59 PolarHBondContact O-N 3.25Å; E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 3.23Å; A59-A63 PolarHBondContact O-N 3.38Å
60K98.3Very high97.2Very high157 Ų15741.9 Ų41.968%0.68324%0.238SC*.Hα-helixtrans-65.5-43.6174.5-66.3171.6-172.4169.50111.4D56 E57 A63 F64D56-K60 PolarHBondContact O-N 2.88Å; E57-K60 PolarHBondContact O-N 3.4Å; K60-A63 PolarHBondContact O-N 3.12Å; K60-F64 WeakPolarHBondContact O-CB 3.06Å; K60-F64 PolarHBondContact O-N 3.19Å
61L98.6Very high97.4Very high18 Ų1843.3 Ų43.39%0.09424%0.239CC..Hα-helixtrans-61.7-45.7178.4-178.957.6000111.3E57 L58 A63 F64 V65 S122 I125 A126 V297E57-L61 WeakPolarHBondContact O-CB 3.47Å; E57-L61 PolarHBondContact O-N 3Å; L58-L61 HydrophobicContact CD2-CD2 4.32Å; L58-L61 PolarHBondContact O-N 3.42Å; L61-A63 PolarHBondContact O-N 3.41Å; L61-F64 HydrophobicContact CD1-CD1 4.31Å; L61-F64 WeakPolarHBondContact O-CB 3.12Å; L61-F64 PolarHBondContact O-N 3.46Å; L61-V65 HydrophobicContact CD1-CG2 3.75Å; L61-V65 HydrophobicContact CG-CG2 4.1Å; L61-V65 WeakPolarHBondContact O-CG2 3.21Å; L61-V65 PolarHBondContact O-N 3.42Å; L61-S122 WeakPolarHBondContact CD2-O 3.22Å; L61-I125 HydrophobicContact CD2-CB 4.48Å; L61-I125 HydrophobicContact CD2-CG2 4.34Å; L61-A126 HydrophobicContact CD1-CB 3.7Å; L61-A126 HydrophobicContact CD2-CB 4.47Å; L61-V297 HydrophobicContact CD2-CG2 3.94Å; L61-V297 HydrophobicContact CG-CG1 4.33Å; L61-V297 HydrophobicContact CG-CG2 4.01Å
62D98.5Very high97.5Very high5 Ų543.1 Ų43.13%0.02724%0.239CC..Hα-helixtrans-57.3-49.9178.1-178.523.3000112.1L58 F64 V65 E66 W294 V297 K298 R301L58-D62 VanDerWaalsContact O-CB 3.22Å; L58-D62 WeakPolarHBondContact O-CB 3.5Å; L58-D62 PolarHBondContact O-N 2.95Å; D62-F64 VanDerWaalsContact C-N 3.31Å; D62-F64 PolarHBondContact O-N 3.3Å; D62-V65 PolarHBondContact O-N 3.25Å; D62-E66 WeakPolarHBondContact O-CB 3.41Å; D62-E66 PolarHBondContact O-N 3.02Å; D62-W294 VanDerWaalsContact OD1-CD1 3.28Å; D62-W294 PolarHBondContact OD1-NE1 3.25Å; D62-V297 HydrophobicContact CB-CG1 3.72Å; D62-K298 WeakPolarHBondContact OD1-CE 3.28Å; D62-K298 IonicContact OD1-NZ 3.88Å; D62-K298 PolarHBondContact OD1-NZ 3.48Å; D62-K298 WeakPolarHBondContact OD2-CE 3.42Å; D62-K298 IonicContact OD2-NZ 2.73Å; D62-K298 PolarHBondContact OD2-NZ 3.21Å; D62-R301 WeakPolarHBondContact OD2-CD 3.23Å; D62-R301 IonicContact OD2-CZ 2.71Å; D62-R301 IonicContact OD2-NE 2.78Å; D62-R301 IonicContact OD2-NH1 2.63Å; D62-R301 PolarHBondContact OD2-NH1 3.37Å
63A97.8Very high97.6Very high63 Ų6339.8 Ų39.852%0.52122%0.218SC..Hα-helixtrans-61.3-39.9176.800000112.1A59 K60 L61 G67A59-A63 PolarHBondContact O-N 3.38Å; K60-A63 PolarHBondContact O-N 3.12Å; L61-A63 PolarHBondContact O-N 3.41Å; A63-G67 PolarHBondContact O-N 3.08Å
64F98.6Very high97.6Very high70 Ų7041.3 Ų41.331%0.30722%0.216SC..Hα-helixtrans-64.1-49.4175.6172.5-113.5000112K60 L61 D62 G67 V68 V129 D133K60-F64 WeakPolarHBondContact O-CB 3.06Å; K60-F64 PolarHBondContact O-N 3.19Å; L61-F64 HydrophobicContact CD1-CD1 4.31Å; L61-F64 WeakPolarHBondContact O-CB 3.12Å; L61-F64 PolarHBondContact O-N 3.46Å; D62-F64 VanDerWaalsContact C-N 3.31Å; D62-F64 PolarHBondContact O-N 3.3Å; F64-G67 PolarHBondContact O-N 3.15Å; F64-V68 HydrophobicContact CD2-CG2 4.3Å; F64-V68 HydrophobicContact CE1-CG2 4.38Å; F64-V68 HydrophobicContact CE2-CG2 3.83Å; F64-V68 HydrophobicContact CZ-CG2 3.87Å; F64-V68 WeakPolarHBondContact O-CG2 3.43Å; F64-V68 PolarHBondContact O-N 3.43Å; F64-V129 HydrophobicContact CD1-CG1 4.18Å; F64-V129 HydrophobicContact CE1-CB 4.19Å; F64-V129 HydrophobicContact CE1-CG1 3.7Å; F64-V129 HydrophobicContact CZ-CG1 4.32Å; F64-D133 HydrophobicContact CZ-CB 4.42Å
65V98.7Very high97.6Very high0 Ų042 Ų420%022%0.219CC..Hα-helixtrans-64.5-43.2-179.1-174.70000111.1L61 D62 G67 V68 V69 I125 V129 A293 W294 V297L61-V65 HydrophobicContact CD1-CG2 3.75Å; L61-V65 HydrophobicContact CG-CG2 4.1Å; L61-V65 WeakPolarHBondContact O-CG2 3.21Å; L61-V65 PolarHBondContact O-N 3.42Å; D62-V65 PolarHBondContact O-N 3.25Å; V65-G67 VanDerWaalsContact C-N 3.28Å; V65-G67 PolarHBondContact O-N 2.86Å; V65-V68 PolarHBondContact O-N 2.97Å; V65-V68 VanDerWaalsContact O-N 3.15Å; V65-V69 HydrophobicContact CG1-CG2 4.39Å; V65-V69 WeakPolarHBondContact O-CG2 3.29Å; V65-V69 PolarHBondContact O-N 3.08Å; V65-I125 HydrophobicContact CG2-CG2 4.25Å; V65-V129 HydrophobicContact CB-CG1 4.32Å; V65-V129 HydrophobicContact CG1-CG1 4.16Å; V65-V129 HydrophobicContact CG1-CG2 3.92Å; V65-V129 HydrophobicContact CG2-CB 4.27Å; V65-V129 HydrophobicContact CG2-CG1 4.03Å; V65-V129 HydrophobicContact CG2-CG2 3.96Å; V65-A293 HydrophobicContact CG1-CB 4.45Å; V65-W294 HydrophobicContact CG1-CB 3.68Å; V65-W294 HydrophobicContact CG1-CG 4.26Å; V65-V297 HydrophobicContact CG2-CG2 4.22Å
66E97.8Very high97.6Very high46 Ų4641 Ų4122%0.21521%0.211CC..Hα-helixtrans-55.5-45.6172.9-175.4178.815800111.4D62 V68 V69 K70 W294D62-E66 WeakPolarHBondContact O-CB 3.41Å; D62-E66 PolarHBondContact O-N 3.02Å; E66-V68 VanDerWaalsContact C-N 3.34Å; E66-V68 PolarHBondContact O-N 3.22Å; E66-V69 PolarHBondContact O-N 3.46Å; E66-K70 HydrophobicContact CG-CD 4.25Å; E66-K70 WeakPolarHBondContact O-CG 3.32Å; E66-K70 PolarHBondContact O-N 2.88Å; E66-K70 WeakPolarHBondContact OE1-CE 3.37Å; E66-K70 IonicContact OE1-NZ 2.85Å; E66-K70 PolarHBondContact OE1-NZ 2.78Å; E66-W294 HydrophobicContact CB-CZ2 3.88Å; E66-W294 HydrophobicContact CG-CH2 4.03Å; E66-W294 HydrophobicContact CG-CZ2 3.51Å
67G97.4Very high97.6Very high26 Ų2636.5 Ų36.527%0.26819%0.188SC..Hα-helixtrans-59.2-42.6176.600000112.6A63 F64 V65 K70 K71A63-G67 PolarHBondContact O-N 3.08Å; F64-G67 PolarHBondContact O-N 3.15Å; V65-G67 VanDerWaalsContact C-N 3.28Å; V65-G67 PolarHBondContact O-N 2.86Å; G67-K70 PolarHBondContact O-N 2.79Å; G67-K71 VanDerWaalsContact O-CG 3.28Å; G67-K71 WeakPolarHBondContact O-CG 3.34Å; G67-K71 PolarHBondContact O-N 3.35Å
68V98.5Very high97.5Very high0 Ų035.9 Ų35.90%019%0.188CC..Hα-helixtrans-67.3-43.7177176.40000111.4F64 V65 E66 K70 K71 V72 V129 I132 D133F64-V68 HydrophobicContact CD2-CG2 4.3Å; F64-V68 HydrophobicContact CE1-CG2 4.38Å; F64-V68 HydrophobicContact CE2-CG2 3.83Å; F64-V68 HydrophobicContact CZ-CG2 3.87Å; F64-V68 WeakPolarHBondContact O-CG2 3.43Å; F64-V68 PolarHBondContact O-N 3.43Å; V65-V68 PolarHBondContact O-N 2.97Å; V65-V68 VanDerWaalsContact O-N 3.15Å; E66-V68 VanDerWaalsContact C-N 3.34Å; E66-V68 PolarHBondContact O-N 3.22Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 3.44Å; V68-K71 PolarHBondContact O-N 3.01Å; V68-V72 HydrophobicContact CG1-CG2 4.28Å; V68-V72 WeakPolarHBondContact O-CG2 3.41Å; V68-V72 PolarHBondContact O-N 2.86Å; V68-V129 HydrophobicContact CB-CG1 3.81Å; V68-V129 HydrophobicContact CG1-CG1 3.96Å; V68-V129 HydrophobicContact CG2-CG1 3.79Å; V68-I132 HydrophobicContact CG1-CB 4.46Å; V68-I132 HydrophobicContact CG1-CG2 3.97Å; V68-D133 HydrophobicContact CG1-CB 4.34Å; V68-D133 HydrophobicContact CG2-CB 3.81Å
69V98.2Very high97.3Very high0 Ų036.5 Ų36.50%019%0.192CC..Hα-helixtrans-55.4-48.5175169.90000110.8V65 E66 V72 A73 F287 A290 F291 W294 L378V65-V69 HydrophobicContact CG1-CG2 4.39Å; V65-V69 WeakPolarHBondContact O-CG2 3.29Å; V65-V69 PolarHBondContact O-N 3.08Å; E66-V69 PolarHBondContact O-N 3.46Å; V69-V72 PolarHBondContact O-N 3.41Å; V69-A73 WeakPolarHBondContact O-CB 3.15Å; V69-A73 PolarHBondContact O-N 3.32Å; V69-F287 HydrophobicContact CG1-CE2 3.95Å; V69-A290 VanDerWaalsContact CG2-C 3.48Å; V69-A290 HydrophobicContact CG2-CB 3.73Å; V69-A290 WeakPolarHBondContact CG2-O 3.3Å; V69-F291 HydrophobicContact CG1-CD2 4.01Å; V69-W294 HydrophobicContact CG2-CB 4.25Å; V69-L378 HydrophobicContact CG1-CD1 3.74Å; V69-L378 HydrophobicContact CG1-CD2 3.88Å; V69-L378 HydrophobicContact CG1-CG 4.41Å
70K97.1Very high97.2Very high78 Ų7836 Ų3634%0.33919%0.185SC..Hα-helixtrans-62.1-43.3177.3-75.7175.2170.2170.60112.3E66 G67 V68 A73 Q74 L378E66-K70 HydrophobicContact CG-CD 4.25Å; E66-K70 WeakPolarHBondContact O-CG 3.32Å; E66-K70 PolarHBondContact O-N 2.88Å; E66-K70 WeakPolarHBondContact OE1-CE 3.37Å; E66-K70 IonicContact OE1-NZ 2.85Å; E66-K70 PolarHBondContact OE1-NZ 2.78Å; G67-K70 PolarHBondContact O-N 2.79Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 3.44Å; K70-A73 PolarHBondContact O-N 3.16Å; K70-Q74 VanDerWaalsContact O-CB 3.32Å; K70-Q74 WeakPolarHBondContact O-CB 3.36Å; K70-Q74 PolarHBondContact O-N 2.9Å; K70-L378 HydrophobicContact CG-CD2 4.25Å
71K97.5Very high96.8Very high94 Ų9432.5 Ų32.541%0.40917%0.171SC..Hα-helixtrans-61-45.1175.9-73.3176.6-157.8172.30112.4G67 V68 Q74 Y75 D133 L136G67-K71 VanDerWaalsContact O-CG 3.28Å; G67-K71 WeakPolarHBondContact O-CG 3.34Å; G67-K71 PolarHBondContact O-N 3.35Å; V68-K71 PolarHBondContact O-N 3.01Å; K71-Q74 PolarHBondContact O-N 3.29Å; K71-Y75 WeakPolarHBondContact O-CB 3.44Å; K71-Y75 PolarHBondContact O-N 3.29Å; K71-D133 IonicContact NZ-OD1 3.57Å; K71-D133 PolarHBondContact NZ-OD1 3.25Å; K71-L136 HydrophobicContact CB-CD2 3.87Å
72V97.9Very high96.4Very high0 Ų038.9 Ų38.90%021%0.205CC..Hα-helixtrans-64.6-43.9178.9179.20000110.2V68 V69 Y75 M76 I132 L136 L283 F287V68-V72 HydrophobicContact CG1-CG2 4.28Å; V68-V72 WeakPolarHBondContact O-CG2 3.41Å; V68-V72 PolarHBondContact O-N 2.86Å; V69-V72 PolarHBondContact O-N 3.41Å; V72-Y75 PolarHBondContact O-N 3.02Å; V72-M76 WeakPolarHBondContact O-CB 3.17Å; V72-M76 PolarHBondContact O-N 3.47Å; V72-I132 HydrophobicContact CG2-CG2 4.07Å; V72-L136 HydrophobicContact CG2-CD2 3.87Å; V72-L283 HydrophobicContact CG1-CD2 4.14Å; V72-F287 HydrophobicContact CG1-CB 3.72Å; V72-F287 HydrophobicContact CG1-CD2 4.36Å
73A96.5Very high96Very high0 Ų040.4 Ų40.40%022%0.216CC..Hα-helixtrans-61.3-48.1176.700000111.9V69 K70 Y75 M76 A77 L91 F287 L378 L379V69-A73 WeakPolarHBondContact O-CB 3.15Å; V69-A73 PolarHBondContact O-N 3.32Å; K70-A73 PolarHBondContact O-N 3.16Å; A73-Y75 PolarHBondContact O-N 3.39Å; A73-M76 WeakPolarHBondContact O-CB 3.21Å; A73-M76 PolarHBondContact O-N 3.29Å; A73-A77 PolarHBondContact O-N 3.25Å; A73-A77 VanDerWaalsContact O-N 3.08Å; A73-L91 HydrophobicContact CB-CD1 3.9Å; A73-L91 HydrophobicContact CB-CD2 4.14Å; A73-F287 HydrophobicContact CB-CD2 4.22Å; A73-F287 HydrophobicContact CB-CE2 3.96Å; A73-L378 HydrophobicContact CB-CB 3.98Å; A73-L379 VanDerWaalsContact C-CD2 3.45Å; A73-L379 HydrophobicContact CB-CD2 3.83Å; A73-L379 VanDerWaalsContact O-CD2 3.32Å; A73-L379 WeakPolarHBondContact O-CD2 3.18Å
74Q95.8Very high95.5Very high68 Ų6843.1 Ų43.132%0.31822%0.216SC..Hα-helixtrans-61.4-45.4178.8-174.657.750.900111.3K70 K71 M76 A77 D78K70-Q74 VanDerWaalsContact O-CB 3.32Å; K70-Q74 WeakPolarHBondContact O-CB 3.36Å; K70-Q74 PolarHBondContact O-N 2.9Å; K71-Q74 PolarHBondContact O-N 3.29Å; Q74-M76 VanDerWaalsContact C-N 3.31Å; Q74-M76 PolarHBondContact O-N 3.48Å; Q74-A77 WeakPolarHBondContact O-CA 3.49Å; Q74-A77 VanDerWaalsContact O-CB 3.31Å; Q74-A77 WeakPolarHBondContact O-CB 3.38Å; Q74-A77 PolarHBondContact O-N 3.16Å; Q74-D78 PolarHBondContact NE2-OD1 2.94Å; Q74-D78 VanDerWaalsContact O-CG 3.27Å; Q74-D78 PolarHBondContact O-N 3.47Å
75Y97.1Very high95Very high18 Ų1845.6 Ų45.67%0.07123%0.232CC..Hα-helixtrans-68.3-31.1179.7-168.5-115.3000112.7K71 V72 A73 A77 D78 V79 L136 A140 L279 L283K71-Y75 WeakPolarHBondContact O-CB 3.44Å; K71-Y75 PolarHBondContact O-N 3.29Å; V72-Y75 PolarHBondContact O-N 3.02Å; A73-Y75 PolarHBondContact O-N 3.39Å; Y75-A77 VanDerWaalsContact C-N 3.3Å; Y75-A77 PolarHBondContact O-N 2.87Å; Y75-D78 HydrophobicContact CD2-CB 4.36Å; Y75-D78 PolarHBondContact O-N 2.85Å; Y75-V79 HydrophobicContact CD1-CG2 4.12Å; Y75-V79 HydrophobicContact CE1-CG2 3.68Å; Y75-V79 HydrophobicContact CE2-CG2 4.09Å; Y75-V79 WeakPolarHBondContact O-CB 3.09Å; Y75-V79 VanDerWaalsContact O-CG2 3.3Å; Y75-V79 WeakPolarHBondContact O-CG2 3.33Å; Y75-V79 PolarHBondContact O-N 3.03Å; Y75-L136 HydrophobicContact CD1-CD1 3.63Å; Y75-L136 HydrophobicContact CE1-CD1 4.41Å; Y75-L136 HydrophobicContact CG-CD1 4.18Å; Y75-A140 HydrophobicContact CD1-CB 4.26Å; Y75-A140 HydrophobicContact CD2-CB 4.31Å; Y75-A140 HydrophobicContact CE1-CB 3.73Å; Y75-A140 HydrophobicContact CE2-CB 3.81Å; Y75-A140 WeakPolarHBondContact OH-CA 3.42Å; Y75-L279 HydrophobicContact CE1-CD1 4.28Å; Y75-L279 HydrophobicContact CE1-CD2 4.15Å; Y75-L283 HydrophobicContact CD1-CD1 3.9Å; Y75-L283 HydrophobicContact CD1-CD2 3.79Å; Y75-L283 HydrophobicContact CD1-CG 4.47Å; Y75-L283 HydrophobicContact CE1-CD1 4.25Å; Y75-L283 HydrophobicContact CE1-CD2 4.5Å
76M96.8Very high94.6Very high0 Ų050.3 Ų50.30%025%0.253CS..Hα-helixtrans-58.7-43.3167.3179.172.180.200111.2V72 A73 Q74 V79 L80 V87 N90 L91 V280 L283 K284V72-M76 WeakPolarHBondContact O-CB 3.17Å; V72-M76 PolarHBondContact O-N 3.47Å; A73-M76 WeakPolarHBondContact O-CB 3.21Å; A73-M76 PolarHBondContact O-N 3.29Å; Q74-M76 VanDerWaalsContact C-N 3.31Å; Q74-M76 PolarHBondContact O-N 3.48Å; M76-V79 PolarHBondContact O-N 3.34Å; M76-L80 HydrophobicContact CG-CD1 4.05Å; M76-L80 WeakPolarHBondContact O-CB 3.15Å; M76-L80 WeakPolarHBondContact O-CG 3.39Å; M76-L80 PolarHBondContact O-N 3.3Å; M76-L80 HydrophobicContact SD-CD1 3.77Å; M76-L80 HydrophobicContact SD-CG 4.27Å; M76-V87 HydrophobicContact CG-CG1 4.24Å; M76-N90 HydrophobicContact CE-CB 3.8Å; M76-N90 HydrophobicContact CG-CB 4.35Å; M76-N90 HydrophobicContact SD-CB 4.03Å; M76-L91 HydrophobicContact CB-CD2 4.2Å; M76-L91 HydrophobicContact CG-CD2 4.15Å; M76-V280 HydrophobicContact SD-CG1 4.21Å; M76-L283 HydrophobicContact CE-CB 3.4Å; M76-L283 HydrophobicContact SD-CB 4.2Å; M76-L283 HydrophobicContact SD-CD1 4.37Å; M76-K284 HydrophobicContact CE-CB 4.16Å
77A95.6Very high94.3Very high6 Ų648.1 Ų48.15%0.0524%0.243CC..Hα-helixtrans-65-38.4176.900000112.7A73 Q74 Y75 L80 E81 V87 L379 F381A73-A77 PolarHBondContact O-N 3.25Å; A73-A77 VanDerWaalsContact O-N 3.08Å; Q74-A77 WeakPolarHBondContact O-CA 3.49Å; Q74-A77 VanDerWaalsContact O-CB 3.31Å; Q74-A77 WeakPolarHBondContact O-CB 3.38Å; Q74-A77 PolarHBondContact O-N 3.16Å; Y75-A77 VanDerWaalsContact C-N 3.3Å; Y75-A77 PolarHBondContact O-N 2.87Å; A77-L80 CarbonylContact O-C 3.56Å; A77-L80 PolarHBondContact O-N 3.34Å; A77-E81 PolarHBondContact O-N 3.28Å; A77-V87 HydrophobicContact CB-CG1 4.1Å; A77-V87 HydrophobicContact CB-CG2 4.12Å; A77-L379 HydrophobicContact CB-CD2 4.09Å; A77-F381 HydrophobicContact CB-CE1 4.49Å
78D94.7Very high94.1Very high76 Ų7652 Ų5241%0.40625%0.254SS..Hα-helixtrans-69.2-38.6178.1-59.5-19.9000112Q74 Y75 E81Q74-D78 PolarHBondContact NE2-OD1 2.94Å; Q74-D78 VanDerWaalsContact O-CG 3.27Å; Q74-D78 PolarHBondContact O-N 3.47Å; Y75-D78 HydrophobicContact CD2-CB 4.36Å; Y75-D78 PolarHBondContact O-N 2.85Å; D78-E81 WeakPolarHBondContact O-CB 3.46Å; D78-E81 PolarHBondContact O-N 2.85Å
79V94.9Very high93.8Very high14 Ų1458.1 Ų58.19%0.08528%0.282CS..Hα-helixtrans-70.4-34.2176.2171.40000111.3Y75 M76 E81 Y143 F276 L279 V280 L283Y75-V79 HydrophobicContact CD1-CG2 4.12Å; Y75-V79 HydrophobicContact CE1-CG2 3.68Å; Y75-V79 HydrophobicContact CE2-CG2 4.09Å; Y75-V79 WeakPolarHBondContact O-CB 3.09Å; Y75-V79 VanDerWaalsContact O-CG2 3.3Å; Y75-V79 WeakPolarHBondContact O-CG2 3.33Å; Y75-V79 PolarHBondContact O-N 3.03Å; M76-V79 PolarHBondContact O-N 3.34Å; V79-E81 VanDerWaalsContact C-N 3.3Å; V79-E81 PolarHBondContact O-N 2.76Å; V79-Y143 HydrophobicContact CG2-CE1 4.48Å; V79-F276 HydrophobicContact CG1-CD2 3.93Å; V79-F276 HydrophobicContact CG1-CE2 3.67Å; V79-L279 HydrophobicContact CG1-CD2 4.32Å; V79-L279 HydrophobicContact CG2-CD2 3.87Å; V79-V280 HydrophobicContact CG1-CG2 3.9Å; V79-L283 HydrophobicContact CG2-CD1 4.21Å
80L94.7Very high93.6Very high16 Ų1659.5 Ų59.58%0.08429%0.29CS..THydrogen-bonded Turntrans-93.734.3176-61.8178.6000112.3M76 A77 D82 S83 K84 V87 F276 V280M76-L80 HydrophobicContact CG-CD1 4.05Å; M76-L80 WeakPolarHBondContact O-CB 3.15Å; M76-L80 WeakPolarHBondContact O-CG 3.39Å; M76-L80 PolarHBondContact O-N 3.3Å; M76-L80 HydrophobicContact SD-CD1 3.77Å; M76-L80 HydrophobicContact SD-CG 4.27Å; A77-L80 CarbonylContact O-C 3.56Å; A77-L80 PolarHBondContact O-N 3.34Å; L80-D82 PolarHBondContact O-N 2.9Å; L80-D82 VanDerWaalsContact O-N 3.17Å; L80-S83 CarbonylContact O-C 3.6Å; L80-S83 WeakPolarHBondContact O-CA 3.47Å; L80-S83 PolarHBondContact O-N 3.39Å; L80-K84 PolarHBondContact O-N 2.99Å; L80-K84 VanDerWaalsContact O-N 3.15Å; L80-V87 HydrophobicContact CB-CG2 3.96Å; L80-V87 HydrophobicContact CD1-CG2 4.13Å; L80-F276 HydrophobicContact CD2-CE2 4.32Å; L80-F276 HydrophobicContact CD2-CZ 3.83Å; L80-V280 HydrophobicContact CD2-CG2 4.27Å
81E90.5Very high93.6Very high84 Ų8456 Ų5639%0.39328%0.275SS..G310 helixtrans-55.3-35.2-177.767.8-170.2162.600113.4A77 D78 V79 S83 K147A77-E81 PolarHBondContact O-N 3.28Å; D78-E81 WeakPolarHBondContact O-CB 3.46Å; D78-E81 PolarHBondContact O-N 2.85Å; V79-E81 VanDerWaalsContact C-N 3.3Å; V79-E81 PolarHBondContact O-N 2.76Å; E81-S83 VanDerWaalsContact C-N 3.28Å; E81-S83 PolarHBondContact O-N 3.29Å; E81-K147 VanDerWaalsContact OE1-CE 3.32Å; E81-K147 WeakPolarHBondContact OE1-CE 3.28Å; E81-K147 IonicContact OE1-NZ 2.73Å; E81-K147 PolarHBondContact OE1-NZ 3.2Å; E81-K147 IonicContact OE2-NZ 3.51Å; E81-K147 PolarHBondContact OE2-NZ 2.62Å
82D89.9Confident93.5Very high152 Ų15253.3 Ų53.381%0.81327%0.265SS*.G310 helixtrans-81.6-2.7177.7-62.6-38.3000113.3L80L80-D82 PolarHBondContact O-N 2.9Å; L80-D82 VanDerWaalsContact O-N 3.17Å
83S90.5Very high93.5Very high37 Ų3753.3 Ų53.326%0.25927%0.265SS..G310 helixtrans-150.150.6-176.3-63.20000111.5L80 E81 D85 K86L80-S83 CarbonylContact O-C 3.6Å; L80-S83 WeakPolarHBondContact O-CA 3.47Å; L80-S83 PolarHBondContact O-N 3.39Å; E81-S83 VanDerWaalsContact C-N 3.28Å; E81-S83 PolarHBondContact O-N 3.29Å; S83-D85 WeakPolarHBondContact CA-OD1 3.11Å; S83-D85 PolarHBondContact O-N 3.03Å; S83-K86 WeakPolarHBondContact O-CB 3.47Å; S83-K86 PolarHBondContact O-N 2.88Å
84K86.7Confident93.4Very high121 Ų12159.3 Ų59.353%0.52630%0.297SS..G310 helixtrans-58.4-30.2-176.3-69.3-174.5179.7-178.80113.7L80 K86 V87L80-K84 PolarHBondContact O-N 2.99Å; L80-K84 VanDerWaalsContact O-N 3.15Å; K84-K86 PolarHBondContact O-N 3.08Å; K84-V87 WeakPolarHBondContact O-CB 3.47Å; K84-V87 VanDerWaalsContact O-CG2 3.26Å; K84-V87 WeakPolarHBondContact O-CG2 3.23Å; K84-V87 PolarHBondContact O-N 3.48Å
85D87.7Confident93.4Very high121 Ų12159 Ų5965%0.64731%0.312SS*.G310 helixtrans-59.9-32.1174.459.1-50.5000112.6S83 V87S83-D85 WeakPolarHBondContact CA-OD1 3.11Å; S83-D85 PolarHBondContact O-N 3.03Å; D85-V87 VanDerWaalsContact C-N 3.33Å; D85-V87 PolarHBondContact O-N 3.47Å
86K89.8Confident93.4Very high99 Ų9961 Ų6143%0.4333%0.326SS..G310 helixtrans-83.6-5.1-179.9-60.3-176.6-176.5167.20114S83 K84 Q88 E89 N90S83-K86 WeakPolarHBondContact O-CB 3.47Å; S83-K86 PolarHBondContact O-N 2.88Å; K84-K86 PolarHBondContact O-N 3.08Å; K86-Q88 VanDerWaalsContact C-N 3.35Å; K86-Q88 PolarHBondContact O-N 3.19Å; K86-E89 PolarHBondContact O-N 3.43Å; K86-N90 PolarHBondContact O-ND2 2.84Å
87V93.3Very high93.3Very high0 Ų064.5 Ų64.50%034%0.344CS..Hα-helixtrans-61.2-46.3-176.8175.90000110.4M76 A77 L80 K84 D85 E89 N90 L91 L379M76-V87 HydrophobicContact CG-CG1 4.24Å; A77-V87 HydrophobicContact CB-CG1 4.1Å; A77-V87 HydrophobicContact CB-CG2 4.12Å; L80-V87 HydrophobicContact CB-CG2 3.96Å; L80-V87 HydrophobicContact CD1-CG2 4.13Å; K84-V87 WeakPolarHBondContact O-CB 3.47Å; K84-V87 VanDerWaalsContact O-CG2 3.26Å; K84-V87 WeakPolarHBondContact O-CG2 3.23Å; K84-V87 PolarHBondContact O-N 3.48Å; D85-V87 VanDerWaalsContact C-N 3.33Å; D85-V87 PolarHBondContact O-N 3.47Å; V87-E89 VanDerWaalsContact C-N 3.27Å; V87-E89 PolarHBondContact O-N 2.94Å; V87-N90 WeakPolarHBondContact O-CB 3.49Å; V87-N90 PolarHBondContact O-N 3.25Å; V87-L91 HydrophobicContact CG1-CD1 3.94Å; V87-L91 HydrophobicContact CG1-CG 4.17Å; V87-L91 WeakPolarHBondContact O-CG 3.2Å; V87-L91 PolarHBondContact O-N 3.39Å; V87-L379 HydrophobicContact CB-CD1 4.49Å; V87-L379 HydrophobicContact CG1-CD1 3.59Å
88Q91.4Very high93.3Very high107 Ų10765 Ų6550%0.535%0.346SS..Hα-helixtrans-61.6-34.1-178.1-66.6-65.1-24.400112.8K86 N90 L91K86-Q88 VanDerWaalsContact C-N 3.35Å; K86-Q88 PolarHBondContact O-N 3.19Å; Q88-N90 PolarHBondContact O-N 3.48Å; Q88-L91 PolarHBondContact O-N 3.34Å
89E92.4Very high93.2Very high129 Ų12963.4 Ų63.460%0.60334%0.339SS*.Hα-helixtrans-66.7-19.2176.4-57.2-179.1167.600112.9K86 V87 L92K86-E89 PolarHBondContact O-N 3.43Å; V87-E89 VanDerWaalsContact C-N 3.27Å; V87-E89 PolarHBondContact O-N 2.94Å; E89-L92 WeakPolarHBondContact O-CD1 3.31Å
90N94.5Very high93.2Very high30 Ų3064.8 Ų64.816%0.1635%0.348CS..Hα-helixtrans-96.7-18.2177.2-70.1-79.6000113M76 K86 V87 Q88 L92M76-N90 HydrophobicContact CE-CB 3.8Å; M76-N90 HydrophobicContact CG-CB 4.35Å; M76-N90 HydrophobicContact SD-CB 4.03Å; K86-N90 PolarHBondContact O-ND2 2.84Å; V87-N90 WeakPolarHBondContact O-CB 3.49Å; V87-N90 PolarHBondContact O-N 3.25Å; Q88-N90 PolarHBondContact O-N 3.48Å; N90-L92 VanDerWaalsContact C-N 3.33Å; N90-L92 PolarHBondContact O-N 2.94Å
91L96.3Very high93.3Very high4 Ų465.2 Ų65.22%0.02135%0.348CS..  trans-90.265.5179-60.1-173.8000111.3A73 M76 V87 Q88 F287 L379A73-L91 HydrophobicContact CB-CD1 3.9Å; A73-L91 HydrophobicContact CB-CD2 4.14Å; M76-L91 HydrophobicContact CB-CD2 4.2Å; M76-L91 HydrophobicContact CG-CD2 4.15Å; V87-L91 HydrophobicContact CG1-CD1 3.94Å; V87-L91 HydrophobicContact CG1-CG 4.17Å; V87-L91 WeakPolarHBondContact O-CG 3.2Å; V87-L91 PolarHBondContact O-N 3.39Å; Q88-L91 PolarHBondContact O-N 3.34Å; L91-F287 VanDerWaalsContact CA-CE1 3.41Å; L91-F287 HydrophobicContact CB-CD1 4.16Å; L91-F287 HydrophobicContact CB-CE1 3.67Å; L91-F287 HydrophobicContact CB-CE2 4.35Å; L91-F287 HydrophobicContact CB-CZ 3.77Å; L91-F287 HydrophobicContact CD2-CD1 4.04Å; L91-F287 HydrophobicContact CD2-CD2 3.68Å; L91-F287 HydrophobicContact CD2-CE1 4.22Å; L91-F287 HydrophobicContact CD2-CE2 3.85Å; L91-F287 HydrophobicContact CD2-CG 3.77Å; L91-F287 HydrophobicContact CD2-CZ 4.13Å; L91-F287 HydrophobicContact CG-CE1 4.5Å; L91-F287 HydrophobicContact CG-CE2 4.47Å; L91-F287 HydrophobicContact CG-CZ 4.37Å; L91-L379 HydrophobicContact CD1-CD1 3.87Å; L91-L379 HydrophobicContact CD1-CD2 4.32Å; L91-L379 HydrophobicContact CD1-CG 4.14Å
92L96.9Very high93.6Very high37 Ų3761.2 Ų61.219%0.19433%0.33CS..  trans-108151.5179.5-55.7-179.3000111.3E89 N90 V96 S288E89-L92 WeakPolarHBondContact O-CD1 3.31Å; N90-L92 VanDerWaalsContact C-N 3.33Å; N90-L92 PolarHBondContact O-N 2.94Å; L92-V96 WeakPolarHBondContact CA-O 3.28Å; L92-V96 WeakPolarHBondContact CB-O 3.26Å; L92-S288 WeakPolarHBondContact O-CA 3.34Å; L92-S288 VanDerWaalsContact O-CB 3.3Å; L92-S288 WeakPolarHBondContact O-CB 3.33Å
93A96.8Very high93.9Very high0 Ų056 Ų560%030%0.304CS..BIsolated β-bridgetrans-110.8116.117300000109.3G95 V96 L98 Y101 F291 I292A93-G95 PolarHBondContact O-N 3.44Å; A93-V96 PolarHBondContact N-O 3.39Å; A93-V96 WeakPolarHBondContact O-CG2 3.34Å; A93-V96 PolarHBondContact O-N 3.33Å; A93-V96 VanDerWaalsContact O-N 3.09Å; A93-L98 HydrophobicContact CB-CD2 3.97Å; A93-Y101 HydrophobicContact CB-CD1 4.09Å; A93-Y101 HydrophobicContact CB-CD2 3.83Å; A93-Y101 HydrophobicContact CB-CE2 4.47Å; A93-Y101 HydrophobicContact CB-CG 3.64Å; A93-F291 HydrophobicContact CB-CD1 3.58Å; A93-F291 HydrophobicContact CB-CE1 4.14Å; A93-F291 HydrophobicContact CB-CG 4.38Å; A93-I292 HydrophobicContact CB-CG1 4.46Å
94N95.2Very high94.1Very high126 Ų12663.7 Ų63.767%0.67433%0.327SS*.THydrogen-bonded Turntrans51.637.3-174.1-16027.1000113.6V96 Y101 S288 I292N94-V96 VanDerWaalsContact C-N 3.27Å; N94-V96 PolarHBondContact O-N 3.46Å; N94-Y101 HydrophobicContact CB-CE2 4.47Å; N94-S288 PolarHBondContact N-OG 2.87Å; N94-I292 HydrophobicContact CB-CD1 4.05Å
95G95.2Very high94.7Very high61 Ų6158.3 Ų58.363%0.62930%0.303SS*.THydrogen-bonded Turntrans78.30.2179.700000115.8A93A93-G95 PolarHBondContact O-N 3.44Å
96V96.6Very high95.1Very high61 Ų6160 Ų6037%0.3731%0.307SS..BIsolated β-bridgetrans-112.5160.9173.4-60.80000111.2L92 A93 N94 T100 Y101L92-V96 WeakPolarHBondContact CA-O 3.28Å; L92-V96 WeakPolarHBondContact CB-O 3.26Å; A93-V96 PolarHBondContact N-O 3.39Å; A93-V96 WeakPolarHBondContact O-CG2 3.34Å; A93-V96 PolarHBondContact O-N 3.33Å; A93-V96 VanDerWaalsContact O-N 3.09Å; N94-V96 VanDerWaalsContact C-N 3.27Å; N94-V96 PolarHBondContact O-N 3.46Å; V96-T100 HydrophobicContact CB-CG2 4.37Å; V96-T100 HydrophobicContact CG2-CG2 4.49Å; V96-Y101 HydrophobicContact CG2-CD2 4.38Å
97D94.9Very high95.5Very high73 Ų7356.4 Ų56.439%0.3929%0.291SS..  trans-65.5156.5175.672.689.4000111.7V99 T100 Y101D97-V99 VanDerWaalsContact C-N 3.29Å; D97-V99 PolarHBondContact O-N 3.09Å; D97-V99 WeakPolarHBondContact OD1-CA 3.4Å; D97-V99 WeakPolarHBondContact OD1-CB 3.33Å; D97-V99 PolarHBondContact OD1-N 3.07Å; D97-V99 VanDerWaalsContact OD1-N 3.08Å; D97-T100 VanDerWaalsContact CG-OG1 3.3Å; D97-T100 PolarHBondContact O-N 3.27Å; D97-T100 PolarHBondContact OD1-N 2.97Å; D97-T100 PolarHBondContact OD1-OG1 3.32Å; D97-T100 WeakPolarHBondContact OD2-CB 3.49Å; D97-T100 PolarHBondContact OD2-OG1 2.85Å; D97-Y101 PolarHBondContact O-N 2.98Å
98L95.7Very high95.7Very high17 Ų1758.5 Ų58.59%0.08930%0.303CS..Hα-helixtrans-62.3-34.9-172.9-53.5-175.8000113.2A93 Y101 I102 F287 F291 C376 L378A93-L98 HydrophobicContact CB-CD2 3.97Å; L98-Y101 PolarHBondContact O-N 2.97Å; L98-I102 VanDerWaalsContact O-CG1 3.26Å; L98-I102 WeakPolarHBondContact O-CG1 3.45Å; L98-I102 PolarHBondContact O-N 3.45Å; L98-F287 HydrophobicContact CD1-CZ 4.17Å; L98-F287 HydrophobicContact CD2-CE1 3.87Å; L98-F287 HydrophobicContact CD2-CZ 4.04Å; L98-F291 HydrophobicContact CB-CE1 4.26Å; L98-F291 HydrophobicContact CB-CE2 4.38Å; L98-F291 HydrophobicContact CB-CZ 3.81Å; L98-F291 HydrophobicContact CD1-CD2 4.39Å; L98-F291 HydrophobicContact CD1-CE2 3.85Å; L98-F291 HydrophobicContact CD1-CZ 4.14Å; L98-F291 HydrophobicContact CD2-CD1 3.92Å; L98-F291 HydrophobicContact CD2-CD2 4.02Å; L98-F291 HydrophobicContact CD2-CE1 3.77Å; L98-F291 HydrophobicContact CD2-CE2 3.91Å; L98-F291 HydrophobicContact CD2-CG 4.03Å; L98-F291 HydrophobicContact CD2-CZ 3.76Å; L98-F291 HydrophobicContact CG-CE2 4.26Å; L98-F291 HydrophobicContact CG-CZ 4.1Å; L98-C376 HydrophobicContact CD1-CB 4.48Å; L98-L378 HydrophobicContact CD1-CD1 3.7Å
99V94Very high95.9Very high42 Ų4258.1 Ų58.126%0.25530%0.302SS..Hα-helixtrans-68-47.8179.71670000109.6T2 F4 D97 Y101 I102 T103T2-V99 HydrophobicContact CG2-CG2 3.76Å; F4-V99 HydrophobicContact CE2-CG2 4.23Å; F4-V99 HydrophobicContact CZ-CB 4.24Å; F4-V99 HydrophobicContact CZ-CG1 3.99Å; F4-V99 HydrophobicContact CZ-CG2 4.08Å; D97-V99 VanDerWaalsContact C-N 3.29Å; D97-V99 PolarHBondContact O-N 3.09Å; D97-V99 WeakPolarHBondContact OD1-CA 3.4Å; D97-V99 WeakPolarHBondContact OD1-CB 3.33Å; D97-V99 PolarHBondContact OD1-N 3.07Å; D97-V99 VanDerWaalsContact OD1-N 3.08Å; V99-Y101 VanDerWaalsContact C-N 3.34Å; V99-Y101 PolarHBondContact O-N 3.4Å; V99-I102 PolarHBondContact O-N 3.3Å; V99-T103 HydrophobicContact CG1-CG2 4.48Å; V99-T103 WeakPolarHBondContact O-CB 3.49Å; V99-T103 VanDerWaalsContact O-CG2 3.24Å; V99-T103 WeakPolarHBondContact O-CG2 3.32Å; V99-T103 PolarHBondContact O-N 3.39Å; V99-T103 PolarHBondContact O-OG1 2.92Å
100T95.1Very high96Very high43 Ų4356.3 Ų56.326%0.26431%0.309SS..Hα-helixtrans-61-42.6174.9-61.70000111.6V96 D97 T103 R104V96-T100 HydrophobicContact CB-CG2 4.37Å; V96-T100 HydrophobicContact CG2-CG2 4.49Å; D97-T100 VanDerWaalsContact CG-OG1 3.3Å; D97-T100 PolarHBondContact O-N 3.27Å; D97-T100 PolarHBondContact OD1-N 2.97Å; D97-T100 PolarHBondContact OD1-OG1 3.32Å; D97-T100 WeakPolarHBondContact OD2-CB 3.49Å; D97-T100 PolarHBondContact OD2-OG1 2.85Å; T100-T103 WeakPolarHBondContact CA-OG1 3.46Å; T100-T103 PolarHBondContact O-OG1 2.82Å; T100-R104 WeakPolarHBondContact O-CB 3.49Å; T100-R104 PolarHBondContact O-N 3.48Å
101Y96.5Very high96.1Very high26 Ų2658.2 Ų58.210%0.10232%0.316CS..Hα-helixtrans-60.2-51.6178.5-177.8-93000112.3A93 N94 V96 D97 L98 V99 R104 F105 F291 I292 I295A93-Y101 HydrophobicContact CB-CD1 4.09Å; A93-Y101 HydrophobicContact CB-CD2 3.83Å; A93-Y101 HydrophobicContact CB-CE2 4.47Å; A93-Y101 HydrophobicContact CB-CG 3.64Å; N94-Y101 HydrophobicContact CB-CE2 4.47Å; V96-Y101 HydrophobicContact CG2-CD2 4.38Å; D97-Y101 PolarHBondContact O-N 2.98Å; L98-Y101 PolarHBondContact O-N 2.97Å; V99-Y101 VanDerWaalsContact C-N 3.34Å; V99-Y101 PolarHBondContact O-N 3.4Å; Y101-R104 CarbonylContact O-C 3.42Å; Y101-R104 PolarHBondContact O-N 2.85Å; Y101-F105 HydrophobicContact CE1-CD2 4.35Å; Y101-F105 WeakPolarHBondContact O-CA 3.47Å; Y101-F105 PolarHBondContact O-N 2.74Å; Y101-F291 HydrophobicContact CD1-CD1 4.1Å; Y101-F291 AromaticContact CD1-CE1 3.8Å; Y101-F291 HydrophobicContact CD1-CE1 3.8Å; Y101-F291 HydrophobicContact CE1-CD1 4.42Å; Y101-F291 HydrophobicContact CE1-CE1 4.43Å; Y101-I292 HydrophobicContact CE1-CG1 4.34Å; Y101-I292 HydrophobicContact CE2-CD1 4.5Å; Y101-I292 HydrophobicContact CE2-CG1 3.86Å; Y101-I292 WeakPolarHBondContact OH-CG2 3.18Å; Y101-I295 HydrophobicContact CD1-CG1 4.27Å; Y101-I295 HydrophobicContact CE1-CB 4.06Å; Y101-I295 HydrophobicContact CE1-CG1 3.92Å; Y101-I295 HydrophobicContact CE1-CG2 4.37Å
102I96.9Very high96.1Very high0 Ų058.6 Ų58.60%032%0.317CS..Hα-helixtrans-65.6-44.7-178.1-62.1166.9000110.5F4 L98 V99 R104 F105 F291 I295 L320 I374 C376F4-I102 HydrophobicContact CD2-CD1 3.85Å; F4-I102 HydrophobicContact CD2-CG2 4.41Å; F4-I102 HydrophobicContact CE2-CD1 3.85Å; F4-I102 HydrophobicContact CG-CG2 4.38Å; L98-I102 VanDerWaalsContact O-CG1 3.26Å; L98-I102 WeakPolarHBondContact O-CG1 3.45Å; L98-I102 PolarHBondContact O-N 3.45Å; V99-I102 PolarHBondContact O-N 3.3Å; I102-R104 PolarHBondContact O-N 2.92Å; I102-F105 WeakPolarHBondContact O-CB 3.35Å; I102-F105 PolarHBondContact O-N 3.23Å; I102-F291 HydrophobicContact CD1-CE1 4.35Å; I102-F291 HydrophobicContact CD1-CZ 3.8Å; I102-F291 HydrophobicContact CG1-CE1 4.06Å; I102-F291 HydrophobicContact CG1-CZ 4.02Å; I102-I295 HydrophobicContact CD1-CD1 4.22Å; I102-I295 HydrophobicContact CG1-CD1 3.93Å; I102-I295 HydrophobicContact CG1-CG1 4.23Å; I102-L320 HydrophobicContact CG2-CD1 3.69Å; I102-L320 HydrophobicContact CG2-CD2 3.58Å; I102-L320 HydrophobicContact CG2-CG 4.28Å; I102-I374 HydrophobicContact CD1-CG2 3.83Å; I102-I374 HydrophobicContact CG2-CD1 4.41Å; I102-C376 WeakPolarHBondContact CD1-SG 3.14Å
103T95.6Very high96.1Very high43 Ų4358.8 Ų58.826%0.26432%0.321SS..Hα-helixtrans-67.4-25.4-177.454.60000113.4F4 V99 T100 L320F4-T103 HydrophobicContact CE1-CG2 3.77Å; F4-T103 HydrophobicContact CZ-CG2 4.18Å; V99-T103 HydrophobicContact CG1-CG2 4.48Å; V99-T103 WeakPolarHBondContact O-CB 3.49Å; V99-T103 VanDerWaalsContact O-CG2 3.24Å; V99-T103 WeakPolarHBondContact O-CG2 3.32Å; V99-T103 PolarHBondContact O-N 3.39Å; V99-T103 PolarHBondContact O-OG1 2.92Å; T100-T103 WeakPolarHBondContact CA-OG1 3.46Å; T100-T103 PolarHBondContact O-OG1 2.82Å; T103-L320 HydrophobicContact CG2-CD2 3.99Å
104R95.8Very high96.1Very high197 Ų19761 Ų6174%0.74333%0.332SS*.THydrogen-bonded Turntrans-113.629.7176.9-58.5-174.7176.7-171.7-0.5112.5T100 Y101 I102 Q106T100-R104 WeakPolarHBondContact O-CB 3.49Å; T100-R104 PolarHBondContact O-N 3.48Å; Y101-R104 CarbonylContact O-C 3.42Å; Y101-R104 PolarHBondContact O-N 2.85Å; I102-R104 PolarHBondContact O-N 2.92Å; R104-Q106 PolarHBondContact O-N 3.33Å
105F97.6Very high96.1Very high8 Ų863.2 Ų63.24%0.03534%0.336CS..  trans-51.4130.8-178.3172.9-102.4000111.5F38 Y101 I102 W107 I295 H296 A299F38-F105 HydrophobicContact CD1-CD1 4.25Å; F38-F105 HydrophobicContact CD2-CB 4.06Å; F38-F105 HydrophobicContact CD2-CD1 4.16Å; F38-F105 HydrophobicContact CD2-CG 4.35Å; F38-F105 AromaticContact CE1-CD1 3.62Å; F38-F105 HydrophobicContact CE1-CD1 3.62Å; F38-F105 AromaticContact CE1-CE1 3.71Å; F38-F105 HydrophobicContact CE1-CE1 3.71Å; F38-F105 HydrophobicContact CE1-CG 4.4Å; F38-F105 HydrophobicContact CE2-CB 3.54Å; F38-F105 AromaticContact CE2-CD1 3.53Å; F38-F105 HydrophobicContact CE2-CD1 3.53Å; F38-F105 HydrophobicContact CE2-CD2 4.34Å; F38-F105 HydrophobicContact CE2-CE1 4.32Å; F38-F105 AromaticContact CE2-CG 3.53Å; F38-F105 HydrophobicContact CE2-CG 3.53Å; F38-F105 HydrophobicContact CG-CD1 4.49Å; F38-F105 HydrophobicContact CZ-CB 4.12Å; F38-F105 AromaticContact CZ-CD1 3.22Å; F38-F105 HydrophobicContact CZ-CD1 3.22Å; F38-F105 HydrophobicContact CZ-CD2 4.17Å; F38-F105 AromaticContact CZ-CE1 3.56Å; F38-F105 HydrophobicContact CZ-CE1 3.56Å; F38-F105 HydrophobicContact CZ-CE2 4.44Å; F38-F105 AromaticContact CZ-CG 3.56Å; F38-F105 HydrophobicContact CZ-CG 3.56Å; F38-F105 HydrophobicContact CZ-CZ 4.16Å; Y101-F105 HydrophobicContact CE1-CD2 4.35Å; Y101-F105 WeakPolarHBondContact O-CA 3.47Å; Y101-F105 PolarHBondContact O-N 2.74Å; I102-F105 WeakPolarHBondContact O-CB 3.35Å; I102-F105 PolarHBondContact O-N 3.23Å; F105-W107 HydrophobicContact CE1-CE3 4.39Å; F105-W107 HydrophobicContact CZ-CE3 4.01Å; F105-I295 HydrophobicContact CD2-CB 4.42Å; F105-I295 HydrophobicContact CD2-CG2 3.51Å; F105-I295 HydrophobicContact CE2-CB 4.44Å; F105-I295 HydrophobicContact CE2-CG2 3.79Å; F105-I295 HydrophobicContact CG-CG2 4.17Å; F105-H296 AromaticContact CE2-CE1 3.64Å; F105-H296 AromaticContact CE2-ND1 3.85Å; F105-H296 AromaticContact CE2-NE2 3.86Å; F105-H296 AromaticContact CZ-NE2 3.93Å; F105-A299 HydrophobicContact CE1-CB 4.19Å; F105-A299 HydrophobicContact CZ-CB 4.11Å
106Q96.8Very high96.1Very high157 Ų15763.2 Ų63.273%0.73432%0.319SS*.  trans-128.8136.4169.4-66.7-174.93.200108.1R104 D108R104-Q106 PolarHBondContact O-N 3.33Å; Q106-D108 PolarHBondContact O-N 2.84Å
107W97.9Very high96.1Very high23 Ų2363.2 Ų63.29%0.08732%0.322CS..  trans-65.7125.6177.3-173.1-84000110.9P41 L43 F105 M109 Y112 I121 H296 A299 L300P41-W107 HydrophobicContact CG-CB 3.87Å; P41-W107 HydrophobicContact CG-CD2 3.81Å; P41-W107 HydrophobicContact CG-CE3 4.3Å; P41-W107 HydrophobicContact CG-CG 3.58Å; L43-W107 HydrophobicContact CD1-CH2 4.25Å; L43-W107 HydrophobicContact CD1-CZ3 4.38Å; L43-W107 HydrophobicContact CD2-CH2 4.29Å; L43-W107 HydrophobicContact CD2-CZ2 3.98Å; F105-W107 HydrophobicContact CE1-CE3 4.39Å; F105-W107 HydrophobicContact CZ-CE3 4.01Å; W107-M109 VanDerWaalsContact CD1-SD 3.52Å; W107-M109 HydrophobicContact CG-SD 4.46Å; W107-M109 PolarHBondContact O-N 2.9Å; W107-Y112 PolarHBondContact NE1-O 2.8Å; W107-I121 HydrophobicContact CH2-CG2 4.43Å; W107-I121 HydrophobicContact CZ2-CD1 4.3Å; W107-I121 HydrophobicContact CZ2-CG2 4.17Å; W107-H296 AromaticContact CD2-CD2 3.84Å; W107-H296 AromaticContact CE3-CD2 3.72Å; W107-H296 AromaticContact CZ3-CD2 3.89Å; W107-A299 HydrophobicContact CE3-CB 4.23Å; W107-A299 HydrophobicContact CZ3-CB 3.79Å; W107-L300 HydrophobicContact CH2-CD2 3.75Å; W107-L300 HydrophobicContact CH2-CG 3.96Å; W107-L300 HydrophobicContact CZ3-CD2 4.49Å
108D97.2Very high96.3Very high45 Ų4560 Ų6024%0.24131%0.305CS..  trans-77.390.7176.5-171.2-24.7000110Q106 A110 K111 Y112 H296Q106-D108 PolarHBondContact O-N 2.84Å; D108-A110 PolarHBondContact O-N 2.83Å; D108-A110 WeakPolarHBondContact OD1-CB 3.37Å; D108-A110 PolarHBondContact OD1-N 2.82Å; D108-K111 HydrophobicContact CB-CB 4.37Å; D108-K111 PolarHBondContact O-N 2.88Å; D108-K111 PolarHBondContact OD1-N 3.07Å; D108-K111 VanDerWaalsContact OD2-CD 3.26Å; D108-K111 WeakPolarHBondContact OD2-CD 3.29Å; D108-K111 WeakPolarHBondContact OD2-CG 3.37Å; D108-Y112 HydrophobicContact CB-CD2 4.16Å; D108-Y112 HydrophobicContact CB-CE2 4.49Å; D108-Y112 PolarHBondContact O-N 2.84Å; D108-H296 PolarHBondContact N-NE2 3.14Å
109M95.5Very high96.3Very high98 Ų9863.6 Ų63.648%0.48332%0.32SS..THydrogen-bonded Turntrans-64.8-23.1-179.8-61.1-70.7-107.600113.3W107 I114W107-M109 VanDerWaalsContact CD1-SD 3.52Å; W107-M109 HydrophobicContact CG-SD 4.46Å; W107-M109 PolarHBondContact O-N 2.9Å; M109-I114 HydrophobicContact CE-CD1 3.62Å; M109-I114 HydrophobicContact CE-CG1 3.75Å; M109-I114 HydrophobicContact CE-CG2 3.97Å; M109-I114 HydrophobicContact SD-CB 4.37Å; M109-I114 HydrophobicContact SD-CG1 4.15Å; M109-I114 HydrophobicContact SD-CG2 3.37Å; M109-I114 WeakPolarHBondContact SD-CG2 3.46Å
110A95.9Very high96.5Very high91 Ų9164.5 Ų64.575%0.75232%0.323SS*.THydrogen-bonded Turntrans-78.4-42.5-17900000110.7D108D108-A110 PolarHBondContact O-N 2.83Å; D108-A110 WeakPolarHBondContact OD1-CB 3.37Å; D108-A110 PolarHBondContact OD1-N 2.82Å
111K95.8Very high96.6Very high70 Ų7062.4 Ų62.430%0.30431%0.31SS..THydrogen-bonded Turntrans-81.2-35.5176.8-68.3-174.6-174.1172.20113.3D108 P113 E289D108-K111 HydrophobicContact CB-CB 4.37Å; D108-K111 PolarHBondContact O-N 2.88Å; D108-K111 PolarHBondContact OD1-N 3.07Å; D108-K111 VanDerWaalsContact OD2-CD 3.26Å; D108-K111 WeakPolarHBondContact OD2-CD 3.29Å; D108-K111 WeakPolarHBondContact OD2-CG 3.37Å; K111-P113 WeakPolarHBondContact O-CD 3.22Å; K111-E289 IonicContact NZ-OE1 2.92Å; K111-E289 PolarHBondContact NZ-OE1 3.27Å; K111-E289 IonicContact NZ-OE2 3.59Å; K111-E289 PolarHBondContact NZ-OE2 2.83Å
112Y97.3Very high96.7Very high13 Ų1361.5 Ų61.55%0.05131%0.307CS..SBendtrans-126.576.7-173.7-49.4-57.1000110.9W107 D108 I114 I121 I124 I125 H296W107-Y112 PolarHBondContact NE1-O 2.8Å; D108-Y112 HydrophobicContact CB-CD2 4.16Å; D108-Y112 HydrophobicContact CB-CE2 4.49Å; D108-Y112 PolarHBondContact O-N 2.84Å; Y112-I114 PolarHBondContact O-N 3.31Å; Y112-I121 HydrophobicContact CD1-CG2 4.09Å; Y112-I121 HydrophobicContact CG-CG2 4.24Å; Y112-I124 HydrophobicContact CD1-CG2 4.25Å; Y112-I124 HydrophobicContact CE1-CG2 4.13Å; Y112-I125 HydrophobicContact CD1-CD1 4.36Å; Y112-I125 HydrophobicContact CD1-CG1 3.94Å; Y112-I125 HydrophobicContact CE1-CD1 4.06Å; Y112-I125 HydrophobicContact CE1-CG1 3.31Å; Y112-H296 HydrophobicContact CD2-CB 4.25Å; Y112-H296 AromaticContact CD2-CD2 3.22Å; Y112-H296 WeakPolarHBondContact CD2-CD2 3.14Å; Y112-H296 AromaticContact CD2-CG 3.64Å; Y112-H296 AromaticContact CD2-NE2 3.56Å; Y112-H296 HydrophobicContact CE2-CB 3.99Å; Y112-H296 AromaticContact CE2-CD2 3.57Å; Y112-H296 AromaticContact CE2-CE1 3.88Å; Y112-H296 AromaticContact CE2-CG 3.47Å; Y112-H296 VanDerWaalsContact CE2-CG 3.47Å; Y112-H296 AromaticContact CE2-ND1 3.69Å; Y112-H296 AromaticContact CE2-NE2 3.83Å
113P96.8Very high96.7Very high41 Ų4164.9 Ų64.927%0.26632%0.323SS..  trans-65.8124-173.2-21.634.1000112.5K111 K115 Q116K111-P113 WeakPolarHBondContact O-CD 3.22Å; P113-K115 PolarHBondContact O-N 2.73Å; P113-Q116 HydrophobicContact CB-CG 4.31Å; P113-Q116 WeakPolarHBondContact O-CB 3.19Å; P113-Q116 PolarHBondContact O-N 2.94Å
114I96.2Very high96.9Very high47 Ų4765.8 Ų65.824%0.24133%0.326CS..THydrogen-bonded Turntrans-62.3-14.6-17861.1157.6000114.4P41 L43 M109 Y112 Q116P41-I114 HydrophobicContact CB-CG2 3.99Å; P41-I114 HydrophobicContact CG-CG2 3.65Å; L43-I114 HydrophobicContact CD2-CB 4.24Å; L43-I114 HydrophobicContact CD2-CG2 3.8Å; M109-I114 HydrophobicContact CE-CD1 3.62Å; M109-I114 HydrophobicContact CE-CG1 3.75Å; M109-I114 HydrophobicContact CE-CG2 3.97Å; M109-I114 HydrophobicContact SD-CB 4.37Å; M109-I114 HydrophobicContact SD-CG1 4.15Å; M109-I114 HydrophobicContact SD-CG2 3.37Å; M109-I114 WeakPolarHBondContact SD-CG2 3.46Å; Y112-I114 PolarHBondContact O-N 3.31Å; I114-Q116 VanDerWaalsContact C-N 3.28Å
115K94.8Very high97Very high172 Ų17256.5 Ų56.575%0.74829%0.291SS*.THydrogen-bonded Turntrans-75.5-15.8175.2-67.9-174.6178.8-179.20113K44 P113K44-K115 WeakPolarHBondContact CD-O 3.46Å; K44-K115 WeakPolarHBondContact CE-O 3.33Å; K44-K115 PolarHBondContact NZ-O 3.32Å; P113-K115 PolarHBondContact O-N 2.73Å
116Q96Very high97Very high61 Ų6157.6 Ų57.629%0.28530%0.301SS..SBendtrans-82.3164176.7-63179.87.600111P113 I114 N120 I121P113-Q116 HydrophobicContact CB-CG 4.31Å; P113-Q116 WeakPolarHBondContact O-CB 3.19Å; P113-Q116 PolarHBondContact O-N 2.94Å; I114-Q116 VanDerWaalsContact C-N 3.28Å; Q116-N120 HydrophobicContact CB-CB 4.44Å; Q116-N120 VanDerWaalsContact CD-ND2 3.32Å; Q116-N120 PolarHBondContact OE1-ND2 2.71Å; Q116-I121 HydrophobicContact CB-CG1 4.14Å
117S96.8Very high97.1Very high61 Ų6157.1 Ų57.143%0.42730%0.297SS..BIsolated β-bridgetrans-71.6152.6172.962.90000110.7K119 N120 I121S117-K119 PolarHBondContact O-N 2.92Å; S117-N120 PolarHBondContact O-N 2.96Å; S117-N120 VanDerWaalsContact O-N 3.08Å; S117-N120 WeakPolarHBondContact OG-CB 3.36Å; S117-N120 PolarHBondContact OG-N 3.24Å; S117-I121 WeakPolarHBondContact O-CG1 3.25Å; S117-I121 PolarHBondContact O-N 3.34Å
118L97.6Very high97.2Very high6 Ų657.6 Ų57.63%0.03131%0.309CS..Hα-helixtrans-55.9-40.1175.8-60.5170000111.8L43 K44 L51 L54 N120 I121 S122 L300 F303 V304L43-L118 HydrophobicContact CB-CD2 3.7Å; L43-L118 HydrophobicContact CD1-CD2 3.77Å; L43-L118 HydrophobicContact CG-CD2 4.23Å; K44-L118 WeakPolarHBondContact O-CG 3.42Å; L51-L118 HydrophobicContact CD2-CD1 3.68Å; L54-L118 HydrophobicContact CD2-CB 3.34Å; L54-L118 HydrophobicContact CD2-CD1 4.16Å; L54-L118 HydrophobicContact CD2-CG 4.39Å; L118-N120 PolarHBondContact O-N 3.37Å; L118-I121 PolarHBondContact O-N 2.96Å; L118-S122 PolarHBondContact O-N 3.5Å; L118-L300 HydrophobicContact CD2-CD2 3.7Å; L118-F303 HydrophobicContact CD1-CD1 3.97Å; L118-F303 HydrophobicContact CD1-CE1 3.88Å; L118-F303 HydrophobicContact CD2-CD1 4.15Å; L118-F303 HydrophobicContact CD2-CE1 4.3Å; L118-V304 HydrophobicContact CD1-CG2 3.94Å
119K96.5Very high97.2Very high92 Ų9255.6 Ų55.640%0.430%0.298SS..Hα-helixtrans-57.2-49.7174.7-173.9172.7-175.5168.30111.5S117 I121 S122 E123S117-K119 PolarHBondContact O-N 2.92Å; K119-I121 VanDerWaalsContact C-N 3.33Å; K119-I121 PolarHBondContact O-N 3.2Å; K119-S122 PolarHBondContact O-N 3.45Å; K119-S122 VanDerWaalsContact O-N 3.16Å; K119-S122 PolarHBondContact O-OG 3.44Å; K119-E123 VanDerWaalsContact CE-OE1 3.25Å; K119-E123 WeakPolarHBondContact CE-OE1 3.15Å; K119-E123 WeakPolarHBondContact O-CG 3.37Å; K119-E123 PolarHBondContact O-N 2.86Å
120N97.3Very high97.4Very high60 Ų6053.6 Ų53.632%0.32129%0.292SS..Hα-helixtrans-63.5-39179.7-166.174.9000112.3Q116 S117 L118 E123 I124Q116-N120 HydrophobicContact CB-CB 4.44Å; Q116-N120 VanDerWaalsContact CD-ND2 3.32Å; Q116-N120 PolarHBondContact OE1-ND2 2.71Å; S117-N120 PolarHBondContact O-N 2.96Å; S117-N120 VanDerWaalsContact O-N 3.08Å; S117-N120 WeakPolarHBondContact OG-CB 3.36Å; S117-N120 PolarHBondContact OG-N 3.24Å; L118-N120 PolarHBondContact O-N 3.37Å; N120-E123 PolarHBondContact O-N 2.88Å; N120-I124 VanDerWaalsContact O-CG1 3.3Å; N120-I124 WeakPolarHBondContact O-CG1 3.37Å; N120-I124 PolarHBondContact O-N 3.49Å
121I98.1Very high97.5Very high0 Ų055.1 Ų55.10%028%0.283CS..Hα-helixtrans-62.5-44.8174.6-62.5169.8000110.4L43 W107 Y112 Q116 S117 L118 K119 E123 I124 I125 L300L43-I121 HydrophobicContact CD2-CD1 4.41Å; W107-I121 HydrophobicContact CH2-CG2 4.43Å; W107-I121 HydrophobicContact CZ2-CD1 4.3Å; W107-I121 HydrophobicContact CZ2-CG2 4.17Å; Y112-I121 HydrophobicContact CD1-CG2 4.09Å; Y112-I121 HydrophobicContact CG-CG2 4.24Å; Q116-I121 HydrophobicContact CB-CG1 4.14Å; S117-I121 WeakPolarHBondContact O-CG1 3.25Å; S117-I121 PolarHBondContact O-N 3.34Å; L118-I121 PolarHBondContact O-N 2.96Å; K119-I121 VanDerWaalsContact C-N 3.33Å; K119-I121 PolarHBondContact O-N 3.2Å; I121-E123 VanDerWaalsContact C-N 3.31Å; I121-E123 PolarHBondContact O-N 3.31Å; I121-I124 PolarHBondContact O-N 2.9Å; I121-I125 HydrophobicContact CG2-CD1 4.24Å; I121-I125 WeakPolarHBondContact O-CG1 3.39Å; I121-I125 PolarHBondContact O-N 3.26Å; I121-L300 HydrophobicContact CG2-CD1 4.01Å; I121-L300 HydrophobicContact CG2-CD2 4.45Å
122S98.1Very high97.7Very high6 Ų652.4 Ų52.44%0.04227%0.272CS..Hα-helixtrans-61.3-38.6177.376.80000112.2L61 L118 K119 I125 A126L61-S122 WeakPolarHBondContact CD2-O 3.22Å; L118-S122 PolarHBondContact O-N 3.5Å; K119-S122 PolarHBondContact O-N 3.45Å; K119-S122 VanDerWaalsContact O-N 3.16Å; K119-S122 PolarHBondContact O-OG 3.44Å; S122-I125 PolarHBondContact O-N 3.33Å; S122-A126 WeakPolarHBondContact O-CB 3.24Å; S122-A126 PolarHBondContact O-N 2.84Å
123E98.1Very high97.7Very high72 Ų7252.2 Ų52.234%0.33627%0.272SS..Hα-helixtrans-69-37.5176.6-72.4176.4-169.200112.5K119 N120 I121 I125 A126 K127K119-E123 VanDerWaalsContact CE-OE1 3.25Å; K119-E123 WeakPolarHBondContact CE-OE1 3.15Å; K119-E123 WeakPolarHBondContact O-CG 3.37Å; K119-E123 PolarHBondContact O-N 2.86Å; N120-E123 PolarHBondContact O-N 2.88Å; I121-E123 VanDerWaalsContact C-N 3.31Å; I121-E123 PolarHBondContact O-N 3.31Å; E123-I125 VanDerWaalsContact C-N 3.34Å; E123-A126 PolarHBondContact O-N 3.28Å; E123-K127 WeakPolarHBondContact O-CB 3.24Å; E123-K127 VanDerWaalsContact O-CG 3.29Å; E123-K127 WeakPolarHBondContact O-CG 3.39Å; E123-K127 PolarHBondContact O-N 3.49Å
124I98.1Very high97.8Very high61 Ų6154.4 Ų54.431%0.31328%0.281SS..Hα-helixtrans-59.9-47.3173-71.3166.2000109.9Y112 N120 I121 G128Y112-I124 HydrophobicContact CD1-CG2 4.25Å; Y112-I124 HydrophobicContact CE1-CG2 4.13Å; N120-I124 VanDerWaalsContact O-CG1 3.3Å; N120-I124 WeakPolarHBondContact O-CG1 3.37Å; N120-I124 PolarHBondContact O-N 3.49Å; I121-I124 PolarHBondContact O-N 2.9Å; I124-G128 PolarHBondContact O-N 2.9Å
125I98.6Very high97.9Very high3 Ų354.5 Ų54.52%0.01528%0.282CS..Hα-helixtrans-61.5-49.7176.8-66.4167.7000110.5L61 V65 Y112 I121 S122 E123 K127 G128 V129 A293 H296 V297 L300L61-I125 HydrophobicContact CD2-CB 4.48Å; L61-I125 HydrophobicContact CD2-CG2 4.34Å; V65-I125 HydrophobicContact CG2-CG2 4.25Å; Y112-I125 HydrophobicContact CD1-CD1 4.36Å; Y112-I125 HydrophobicContact CD1-CG1 3.94Å; Y112-I125 HydrophobicContact CE1-CD1 4.06Å; Y112-I125 HydrophobicContact CE1-CG1 3.31Å; I121-I125 HydrophobicContact CG2-CD1 4.24Å; I121-I125 WeakPolarHBondContact O-CG1 3.39Å; I121-I125 PolarHBondContact O-N 3.26Å; S122-I125 PolarHBondContact O-N 3.33Å; E123-I125 VanDerWaalsContact C-N 3.34Å; I125-K127 VanDerWaalsContact C-N 3.34Å; I125-K127 PolarHBondContact O-N 2.66Å; I125-G128 PolarHBondContact O-N 2.77Å; I125-V129 HydrophobicContact CG2-CG2 4.13Å; I125-V129 WeakPolarHBondContact O-CG2 3.36Å; I125-V129 PolarHBondContact O-N 3.13Å; I125-A293 HydrophobicContact CG2-CB 3.97Å; I125-H296 HydrophobicContact CD1-CB 4.07Å; I125-V297 HydrophobicContact CB-CG2 4.46Å; I125-V297 HydrophobicContact CD1-CG2 3.96Å; I125-V297 HydrophobicContact CG2-CG2 3.62Å; I125-L300 HydrophobicContact CD1-CD1 3.97Å
126A98.7Very high98.1Very high30 Ų3046.7 Ų46.725%0.24825%0.249CC..Hα-helixtrans-57.6-45.3-178.800000112.1L61 S122 E123 T130L61-A126 HydrophobicContact CD1-CB 3.7Å; L61-A126 HydrophobicContact CD2-CB 4.47Å; S122-A126 WeakPolarHBondContact O-CB 3.24Å; S122-A126 PolarHBondContact O-N 2.84Å; E123-A126 PolarHBondContact O-N 3.28Å; A126-T130 VanDerWaalsContact O-CB 3.25Å; A126-T130 WeakPolarHBondContact O-CB 3.45Å; A126-T130 PolarHBondContact O-N 2.86Å; A126-T130 PolarHBondContact O-OG1 3.3Å
127K98.6Very high98.2Very high147 Ų14749.2 Ų49.264%0.63926%0.259SS*.Hα-helixtrans-62.9-48.4176.6-74173.7-175.91720111.7E123 I125 V129 T130 Q131E123-K127 WeakPolarHBondContact O-CB 3.24Å; E123-K127 VanDerWaalsContact O-CG 3.29Å; E123-K127 WeakPolarHBondContact O-CG 3.39Å; E123-K127 PolarHBondContact O-N 3.49Å; I125-K127 VanDerWaalsContact C-N 3.34Å; I125-K127 PolarHBondContact O-N 2.66Å; K127-V129 PolarHBondContact O-N 2.96Å; K127-T130 PolarHBondContact O-N 2.93Å; K127-Q131 PolarHBondContact O-N 2.86Å
128G98.5Very high98.3Very high33 Ų3349.5 Ų49.534%0.3426%0.261SS..Hα-helixtrans-59-47.6178.900000112.3I124 I125 Q131 I132I124-G128 PolarHBondContact O-N 2.9Å; I125-G128 PolarHBondContact O-N 2.77Å; G128-Q131 WeakPolarHBondContact O-CB 3.01Å; G128-Q131 PolarHBondContact O-N 3.24Å; G128-I132 WeakPolarHBondContact O-CG1 3.46Å; G128-I132 PolarHBondContact O-N 2.89Å; G128-I132 VanDerWaalsContact O-N 3.14Å
129V98.8Very high98.3Very high3 Ų354.2 Ų54.22%0.01828%0.278CS..Hα-helixtrans-70.4-34.2-179.4177.50000112.1F64 V65 V68 I125 K127 Q131 I132 D133 A293F64-V129 HydrophobicContact CD1-CG1 4.18Å; F64-V129 HydrophobicContact CE1-CB 4.19Å; F64-V129 HydrophobicContact CE1-CG1 3.7Å; F64-V129 HydrophobicContact CZ-CG1 4.32Å; V65-V129 HydrophobicContact CB-CG1 4.32Å; V65-V129 HydrophobicContact CG1-CG1 4.16Å; V65-V129 HydrophobicContact CG1-CG2 3.92Å; V65-V129 HydrophobicContact CG2-CB 4.27Å; V65-V129 HydrophobicContact CG2-CG1 4.03Å; V65-V129 HydrophobicContact CG2-CG2 3.96Å; V68-V129 HydrophobicContact CB-CG1 3.81Å; V68-V129 HydrophobicContact CG1-CG1 3.96Å; V68-V129 HydrophobicContact CG2-CG1 3.79Å; I125-V129 HydrophobicContact CG2-CG2 4.13Å; I125-V129 WeakPolarHBondContact O-CG2 3.36Å; I125-V129 PolarHBondContact O-N 3.13Å; K127-V129 PolarHBondContact O-N 2.96Å; V129-Q131 VanDerWaalsContact C-N 3.33Å; V129-Q131 PolarHBondContact O-N 2.78Å; V129-I132 PolarHBondContact O-N 2.68Å; V129-D133 PolarHBondContact O-N 3.32Å; V129-A293 HydrophobicContact CG2-CB 3.84Å
130T98.8Very high98.4Very high57 Ų5750.4 Ų50.435%0.3526%0.264SS..Hα-helixtrans-63.1-39.9173.4-61.30000111.7A126 K127 D133 N134A126-T130 VanDerWaalsContact O-CB 3.25Å; A126-T130 WeakPolarHBondContact O-CB 3.45Å; A126-T130 PolarHBondContact O-N 2.86Å; A126-T130 PolarHBondContact O-OG1 3.3Å; K127-T130 PolarHBondContact O-N 2.93Å; T130-D133 PolarHBondContact O-N 3.1Å; T130-N134 PolarHBondContact O-N 3.11Å; T130-N134 PolarHBondContact O-ND2 3.03Å
131Q98.7Very high98.4Very high123 Ų12350.6 Ų50.658%0.57527%0.27SS*.Hα-helixtrans-62.1-44.5174.2-175.9177.9-9.500111.2K127 G128 V129 D133 N134 D135K127-Q131 PolarHBondContact O-N 2.86Å; G128-Q131 WeakPolarHBondContact O-CB 3.01Å; G128-Q131 PolarHBondContact O-N 3.24Å; V129-Q131 VanDerWaalsContact C-N 3.33Å; V129-Q131 PolarHBondContact O-N 2.78Å; Q131-D133 PolarHBondContact O-N 3.37Å; Q131-N134 PolarHBondContact O-N 3.23Å; Q131-D135 WeakPolarHBondContact O-CB 3.48Å; Q131-D135 PolarHBondContact O-N 3.18Å
132I98.8Very high98.3Very high13 Ų1353.6 Ų53.67%0.06730%0.295CS..Hα-helixtrans-58-45.8175.7-63.8172.9000111.4V68 V72 G128 V129 D135 L136 W282 N286 E289 A290V68-I132 HydrophobicContact CG1-CB 4.46Å; V68-I132 HydrophobicContact CG1-CG2 3.97Å; V72-I132 HydrophobicContact CG2-CG2 4.07Å; G128-I132 WeakPolarHBondContact O-CG1 3.46Å; G128-I132 PolarHBondContact O-N 2.89Å; G128-I132 VanDerWaalsContact O-N 3.14Å; V129-I132 PolarHBondContact O-N 2.68Å; I132-D135 PolarHBondContact O-N 2.78Å; I132-L136 VanDerWaalsContact O-CB 3.25Å; I132-L136 WeakPolarHBondContact O-CB 3.47Å; I132-L136 PolarHBondContact O-N 2.96Å; I132-W282 HydrophobicContact CG2-CH2 4.38Å; I132-N286 HydrophobicContact CG1-CB 4.42Å; I132-N286 HydrophobicContact CG2-CB 3.97Å; I132-E289 HydrophobicContact CD1-CB 4Å; I132-A290 HydrophobicContact CD1-CB 4.12Å
133D98.7Very high98.3Very high8 Ų854.2 Ų54.24%0.04330%0.296CS..Hα-helixtrans-63.8-42.1-179.9-174.172.3000112.2F64 V68 K71 V129 T130 Q131 K137F64-D133 HydrophobicContact CZ-CB 4.42Å; V68-D133 HydrophobicContact CG1-CB 4.34Å; V68-D133 HydrophobicContact CG2-CB 3.81Å; K71-D133 IonicContact NZ-OD1 3.57Å; K71-D133 PolarHBondContact NZ-OD1 3.25Å; V129-D133 PolarHBondContact O-N 3.32Å; T130-D133 PolarHBondContact O-N 3.1Å; Q131-D133 PolarHBondContact O-N 3.37Å; D133-K137 WeakPolarHBondContact O-CG 3.43Å; D133-K137 PolarHBondContact O-N 2.94Å; D133-K137 VanDerWaalsContact O-N 3.09Å; D133-K137 VanDerWaalsContact OD2-CE 3.23Å; D133-K137 WeakPolarHBondContact OD2-CE 3.48Å; D133-K137 IonicContact OD2-NZ 2.64Å; D133-K137 PolarHBondContact OD2-NZ 3.38Å
134N98.7Very high98.2Very high87 Ų8754.4 Ų54.447%0.46530%0.3SS..Hα-helixtrans-67.8-43.8178-71.1-24.5000112.3T130 Q131 L136 K137 S138T130-N134 PolarHBondContact O-N 3.11Å; T130-N134 PolarHBondContact O-ND2 3.03Å; Q131-N134 PolarHBondContact O-N 3.23Å; N134-L136 VanDerWaalsContact C-N 3.35Å; N134-K137 PolarHBondContact O-N 3.19Å; N134-S138 PolarHBondContact O-N 3Å; N134-S138 VanDerWaalsContact O-N 3.1Å; N134-S138 PolarHBondContact O-OG 3.48Å
135D98.6Very high98.1Very high49 Ų4956.1 Ų56.126%0.26231%0.31SS..Hα-helixtrans-66-38.1177-75.6-7.2000111.4Q131 I132 S138 R139 W282Q131-D135 WeakPolarHBondContact O-CB 3.48Å; Q131-D135 PolarHBondContact O-N 3.18Å; I132-D135 PolarHBondContact O-N 2.78Å; D135-S138 PolarHBondContact O-OG 2.9Å; D135-R139 WeakPolarHBondContact O-CB 3.19Å; D135-R139 VanDerWaalsContact O-CG 3.23Å; D135-R139 WeakPolarHBondContact O-CG 3.41Å; D135-R139 PolarHBondContact O-N 3.32Å; D135-W282 HydrophobicContact CB-CH2 3.9Å; D135-W282 HydrophobicContact CB-CZ2 3.35Å
136L98.6Very high98Very high9 Ų957 Ų575%0.04731%0.314CS..Hα-helixtrans-60.1-50.4174.3176.466.3000110.6K71 V72 Y75 I132 N134 S138 R139 A140 W282 L283K71-L136 HydrophobicContact CB-CD2 3.87Å; V72-L136 HydrophobicContact CG2-CD2 3.87Å; Y75-L136 HydrophobicContact CD1-CD1 3.63Å; Y75-L136 HydrophobicContact CE1-CD1 4.41Å; Y75-L136 HydrophobicContact CG-CD1 4.18Å; I132-L136 VanDerWaalsContact O-CB 3.25Å; I132-L136 WeakPolarHBondContact O-CB 3.47Å; I132-L136 PolarHBondContact O-N 2.96Å; N134-L136 VanDerWaalsContact C-N 3.35Å; L136-S138 PolarHBondContact O-N 2.82Å; L136-R139 PolarHBondContact O-N 3.4Å; L136-A140 WeakPolarHBondContact O-CB 3.36Å; L136-A140 PolarHBondContact O-N 2.94Å; L136-W282 HydrophobicContact CB-CH2 3.95Å; L136-W282 HydrophobicContact CB-CZ3 4.12Å; L136-W282 HydrophobicContact CD1-CZ3 4.04Å; L136-L283 HydrophobicContact CD1-CD2 3.58Å
137K98.3Very high97.8Very high114 Ų11458 Ų5850%0.49631%0.313SS..Hα-helixtrans-58.4-46-179.7-75.4165.8175.7162.50112.3D133 N134 S141D133-K137 WeakPolarHBondContact O-CG 3.43Å; D133-K137 PolarHBondContact O-N 2.94Å; D133-K137 VanDerWaalsContact O-N 3.09Å; D133-K137 VanDerWaalsContact OD2-CE 3.23Å; D133-K137 WeakPolarHBondContact OD2-CE 3.48Å; D133-K137 IonicContact OD2-NZ 2.64Å; D133-K137 PolarHBondContact OD2-NZ 3.38Å; N134-K137 PolarHBondContact O-N 3.19Å; K137-S141 VanDerWaalsContact O-CB 3.32Å; K137-S141 WeakPolarHBondContact O-CB 3.46Å; K137-S141 PolarHBondContact O-N 3.41Å
138S98.1Very high97.6Very high67 Ų6752.1 Ų52.147%0.46929%0.294SS..Hα-helixtrans-66.1-46.7-179.561.20000112N134 D135 L136 S141 A142N134-S138 PolarHBondContact O-N 3Å; N134-S138 VanDerWaalsContact O-N 3.1Å; N134-S138 PolarHBondContact O-OG 3.48Å; D135-S138 PolarHBondContact O-OG 2.9Å; L136-S138 PolarHBondContact O-N 2.82Å; S138-S141 PolarHBondContact O-N 2.94Å; S138-A142 WeakPolarHBondContact O-CB 3.43Å; S138-A142 PolarHBondContact O-N 3.33Å
139R97.7Very high97.4Very high104 Ų10454.5 Ų54.539%0.39230%0.299SS..Hα-helixtrans-65.6-40.3177.4-69.7175-175.9-80.4-3.1112.2D135 L136 A142 Y143 L279D135-R139 WeakPolarHBondContact O-CB 3.19Å; D135-R139 VanDerWaalsContact O-CG 3.23Å; D135-R139 WeakPolarHBondContact O-CG 3.41Å; D135-R139 PolarHBondContact O-N 3.32Å; L136-R139 PolarHBondContact O-N 3.4Å; R139-A142 PolarHBondContact O-N 3.48Å; R139-Y143 WeakPolarHBondContact O-CB 3.47Å; R139-Y143 PolarHBondContact O-N 3.37Å; R139-L279 HydrophobicContact CB-CD1 4.08Å
140A97.7Very high97.1Very high13 Ų1354.6 Ų54.611%0.10730%0.299CS..Hα-helixtrans-64.6-46.6177.800000111.3Y75 L136 A142 Y143 N144Y75-A140 HydrophobicContact CD1-CB 4.26Å; Y75-A140 HydrophobicContact CD2-CB 4.31Å; Y75-A140 HydrophobicContact CE1-CB 3.73Å; Y75-A140 HydrophobicContact CE2-CB 3.81Å; Y75-A140 WeakPolarHBondContact OH-CA 3.42Å; L136-A140 WeakPolarHBondContact O-CB 3.36Å; L136-A140 PolarHBondContact O-N 2.94Å; A140-A142 PolarHBondContact O-N 3.26Å; A140-Y143 PolarHBondContact O-N 2.86Å; A140-N144 WeakPolarHBondContact O-CB 3.43Å; A140-N144 PolarHBondContact O-N 3.38Å; A140-N144 PolarHBondContact O-ND2 3.08Å
141S97.8Very high96.8Very high63 Ų6356.6 Ų56.644%0.44131%0.305SS..Hα-helixtrans-57.2-49.5174.5-178.90000111.6K137 S138 Y143 N144 N145K137-S141 VanDerWaalsContact O-CB 3.32Å; K137-S141 WeakPolarHBondContact O-CB 3.46Å; K137-S141 PolarHBondContact O-N 3.41Å; S138-S141 PolarHBondContact O-N 2.94Å; S141-Y143 PolarHBondContact O-N 3.16Å; S141-N144 PolarHBondContact O-N 3.04Å; S141-N145 WeakPolarHBondContact O-CB 3.01Å; S141-N145 PolarHBondContact O-N 2.98Å; S141-N145 PolarHBondContact O-ND2 2.99Å; S141-N145 VanDerWaalsContact O-ND2 3.13Å
142A96.5Very high96.4Very high64 Ų6454.7 Ų54.753%0.52930%0.298SS..Hα-helixtrans-60-46.7179.800000112.8S138 R139 A140 L146S138-A142 WeakPolarHBondContact O-CB 3.43Å; S138-A142 PolarHBondContact O-N 3.33Å; R139-A142 PolarHBondContact O-N 3.48Å; A140-A142 PolarHBondContact O-N 3.26Å; A142-L146 PolarHBondContact O-N 3.33Å
143Y97.6Very high95.9Very high19 Ų1955.4 Ų55.48%0.07530%0.302CS..Hα-helixtrans-70.9-39.2-179.4-171.2-100.3000112.6V79 R139 A140 S141 L146 K147 K272 Q275 F276 L279V79-Y143 HydrophobicContact CG2-CE1 4.48Å; R139-Y143 WeakPolarHBondContact O-CB 3.47Å; R139-Y143 PolarHBondContact O-N 3.37Å; A140-Y143 PolarHBondContact O-N 2.86Å; S141-Y143 PolarHBondContact O-N 3.16Å; Y143-L146 WeakPolarHBondContact O-CB 3.3Å; Y143-L146 PolarHBondContact O-N 3.06Å; Y143-K147 PolarHBondContact O-N 3.26Å; Y143-K272 HydrophobicContact CE2-CG 4.31Å; Y143-Q275 HydrophobicContact CD2-CB 4.07Å; Y143-Q275 HydrophobicContact CE2-CB 4.28Å; Y143-F276 HydrophobicContact CE2-CB 4.4Å; Y143-L279 HydrophobicContact CD1-CD2 3.7Å; Y143-L279 HydrophobicContact CD2-CD2 3.78Å; Y143-L279 HydrophobicContact CE1-CD2 4.23Å; Y143-L279 HydrophobicContact CE2-CD2 4.3Å; Y143-L279 HydrophobicContact CG-CD2 3.46Å; Y143-L279 VanDerWaalsContact CG-CD2 3.46Å
144N96.7Very high95.4Very high76 Ų7659.7 Ų59.741%0.40632%0.322SS..Hα-helixtrans-68.8-36.8177.6-72-24.1000112.1A140 S141 L146 K147 G148A140-N144 WeakPolarHBondContact O-CB 3.43Å; A140-N144 PolarHBondContact O-N 3.38Å; A140-N144 PolarHBondContact O-ND2 3.08Å; S141-N144 PolarHBondContact O-N 3.04Å; N144-L146 VanDerWaalsContact C-N 3.33Å; N144-K147 PolarHBondContact O-N 2.97Å; N144-G148 PolarHBondContact O-N 3.39Å
145N96.4Very high94.9Very high97 Ų9762.7 Ų62.752%0.51933%0.327SS..Hα-helixtrans-61.9-43172.8-71.8-22.9000111.2S141 G148 N149S141-N145 WeakPolarHBondContact O-CB 3.01Å; S141-N145 PolarHBondContact O-N 2.98Å; S141-N145 PolarHBondContact O-ND2 2.99Å; S141-N145 VanDerWaalsContact O-ND2 3.13Å; N145-G148 PolarHBondContact O-N 3.47Å; N145-N149 WeakPolarHBondContact O-CB 3.18Å; N145-N149 VanDerWaalsContact O-CG 3.23Å; N145-N149 PolarHBondContact O-N 2.77Å
146L95.5Very high94.2Very high21 Ų2166.3 Ų66.311%0.1134%0.34CS..Hα-helixtrans-61.9-45.9175.2179.959.1000112A142 Y143 N144 L150 L268 D271 K272 Q275A142-L146 PolarHBondContact O-N 3.33Å; Y143-L146 WeakPolarHBondContact O-CB 3.3Å; Y143-L146 PolarHBondContact O-N 3.06Å; N144-L146 VanDerWaalsContact C-N 3.33Å; L146-L150 WeakPolarHBondContact O-CB 2.97Å; L146-L150 PolarHBondContact O-N 3.46Å; L146-L150 VanDerWaalsContact O-N 3.11Å; L146-L268 HydrophobicContact CD1-CB 4.11Å; L146-L268 HydrophobicContact CD1-CD2 3.52Å; L146-L268 HydrophobicContact CD1-CG 4.42Å; L146-D271 HydrophobicContact CD1-CB 4.16Å; L146-D271 HydrophobicContact CD2-CB 4.12Å; L146-K272 HydrophobicContact CD2-CB 4.1Å; L146-K272 HydrophobicContact CG-CB 4.17Å; L146-Q275 HydrophobicContact CD2-CG 4.29Å
147K94.7Very high93.6Very high52 Ų5267.2 Ų67.223%0.22635%0.345CS..Hα-helixtrans-61-45.1175-176.6178.4174.3177.40111.5E81 Y143 N144 L150 Q151E81-K147 VanDerWaalsContact OE1-CE 3.32Å; E81-K147 WeakPolarHBondContact OE1-CE 3.28Å; E81-K147 IonicContact OE1-NZ 2.73Å; E81-K147 PolarHBondContact OE1-NZ 3.2Å; E81-K147 IonicContact OE2-NZ 3.51Å; E81-K147 PolarHBondContact OE2-NZ 2.62Å; Y143-K147 PolarHBondContact O-N 3.26Å; N144-K147 PolarHBondContact O-N 2.97Å; K147-L150 PolarHBondContact O-N 3.03Å; K147-Q151 WeakPolarHBondContact O-CB 3.24Å; K147-Q151 PolarHBondContact O-N 3.32Å
148G94.6Very high93Very high23 Ų2364.4 Ų64.424%0.23734%0.343CS..Hα-helixtrans-65.7-43-179.800000113.1N144 N145 Q151 N152N144-G148 PolarHBondContact O-N 3.39Å; N145-G148 PolarHBondContact O-N 3.47Å; G148-Q151 PolarHBondContact O-N 3.06Å; G148-N152 WeakPolarHBondContact O-CB 3.38Å; G148-N152 PolarHBondContact O-N 3.16Å; G148-N152 PolarHBondContact O-ND2 3.5Å
149N94Very high92.6Very high83 Ų8363.8 Ų63.844%0.44435%0.347SS..Hα-helixtrans-62.3-45.2175.8-73-12.6000111.6N145 N152 L153 L268N145-N149 WeakPolarHBondContact O-CB 3.18Å; N145-N149 VanDerWaalsContact O-CG 3.23Å; N145-N149 PolarHBondContact O-N 2.77Å; N149-N152 PolarHBondContact O-N 3.29Å; N149-L153 PolarHBondContact O-N 3.02Å; N149-L153 VanDerWaalsContact O-N 3.15Å; N149-L268 HydrophobicContact CB-CD1 4.01Å
150L92.9Very high92.4Very high4 Ų460.9 Ų60.92%0.02134%0.343CS..Hα-helixtrans-61.7-46.2176.3-175.664.5000111.2L146 K147 N152 L153 E154 M265 L268 K272L146-L150 WeakPolarHBondContact O-CB 2.97Å; L146-L150 PolarHBondContact O-N 3.46Å; L146-L150 VanDerWaalsContact O-N 3.11Å; K147-L150 PolarHBondContact O-N 3.03Å; L150-N152 VanDerWaalsContact C-N 3.27Å; L150-N152 PolarHBondContact O-N 3.41Å; L150-L153 PolarHBondContact O-N 3.03Å; L150-L153 VanDerWaalsContact O-N 3.17Å; L150-E154 HydrophobicContact CG-CG 4.45Å; L150-E154 WeakPolarHBondContact O-CG 3.34Å; L150-E154 PolarHBondContact O-N 3.3Å; L150-M265 HydrophobicContact CD1-CG 4.19Å; L150-L268 HydrophobicContact CD1-CB 4.18Å; L150-K272 HydrophobicContact CD2-CD 3.68Å
151Q92.1Very high92.3Very high100 Ų10060.4 Ų60.447%0.46734%0.338SS..Hα-helixtrans-62.2-34.5178.3-168.9-176.91900112.5K147 G148 R155K147-Q151 WeakPolarHBondContact O-CB 3.24Å; K147-Q151 PolarHBondContact O-N 3.32Å; G148-Q151 PolarHBondContact O-N 3.06Å; Q151-R155 WeakPolarHBondContact O-CB 3.5Å; Q151-R155 PolarHBondContact O-N 3.43Å
152N90.4Very high92.1Very high82 Ų8260.5 Ų60.544%0.43933%0.333SS..Hα-helixtrans-67-40.6176-74-23.2000111.8G148 N149 L150 R155 K156G148-N152 WeakPolarHBondContact O-CB 3.38Å; G148-N152 PolarHBondContact O-N 3.16Å; G148-N152 PolarHBondContact O-ND2 3.5Å; N149-N152 PolarHBondContact O-N 3.29Å; L150-N152 VanDerWaalsContact C-N 3.27Å; L150-N152 PolarHBondContact O-N 3.41Å; N152-R155 PolarHBondContact O-N 2.97Å; N152-K156 PolarHBondContact O-N 3.43Å
153L87.5Confident91.9Very high28 Ų2862 Ų6215%0.14734%0.336CS..Hα-helixtrans-66.7-45.5173.6-67.7177.2000111.5N149 L150 R155 K156 N157 E264 M265 L268N149-L153 PolarHBondContact O-N 3.02Å; N149-L153 VanDerWaalsContact O-N 3.15Å; L150-L153 PolarHBondContact O-N 3.03Å; L150-L153 VanDerWaalsContact O-N 3.17Å; L153-R155 VanDerWaalsContact C-N 3.26Å; L153-R155 PolarHBondContact O-N 2.95Å; L153-K156 WeakPolarHBondContact O-CB 3.26Å; L153-K156 PolarHBondContact O-N 3.11Å; L153-K156 VanDerWaalsContact O-N 3.12Å; L153-N157 PolarHBondContact O-N 3.28Å; L153-E264 HydrophobicContact CD1-CG 4.09Å; L153-M265 HydrophobicContact CD1-CB 4.18Å; L153-L268 HydrophobicContact CD1-CD1 3.65Å
154E89Confident91.6Very high98 Ų9864.6 Ų64.646%0.45835%0.346SS..Hα-helixtrans-58.5-39.5176.3-72.4171.4168.100111.6L150 K156 N157 A158L150-E154 HydrophobicContact CG-CG 4.45Å; L150-E154 WeakPolarHBondContact O-CG 3.34Å; L150-E154 PolarHBondContact O-N 3.3Å; E154-K156 PolarHBondContact O-N 3.39Å; E154-N157 CarbonylContact O-C 3.24Å; E154-N157 PolarHBondContact O-N 3.47Å; E154-N157 VanDerWaalsContact O-N 3.09Å; E154-A158 WeakPolarHBondContact O-CB 3.48Å; E154-A158 PolarHBondContact O-N 3.36Å
155R87.8Confident91.4Very high151 Ų15162.7 Ų62.757%0.5734%0.338SS*.Hα-helixtrans-65.3-37.3177.2-166.8-176.7-52.1162.99.5112.6Q151 N152 L153 N157 A158Q151-R155 WeakPolarHBondContact O-CB 3.5Å; Q151-R155 PolarHBondContact O-N 3.43Å; N152-R155 PolarHBondContact O-N 2.97Å; L153-R155 VanDerWaalsContact C-N 3.26Å; L153-R155 PolarHBondContact O-N 2.95Å; R155-N157 PolarHBondContact O-N 3.17Å; R155-A158 PolarHBondContact O-N 2.99Å; R155-A158 VanDerWaalsContact O-N 3.16Å
156K85.3Confident91.2Very high124 Ų12458.1 Ų58.154%0.53931%0.314SS..Hα-helixtrans-60.5-31.7173.3-70.8-178.4178.5-175.10111.3N152 L153 E154 S165N152-K156 PolarHBondContact O-N 3.43Å; L153-K156 WeakPolarHBondContact O-CB 3.26Å; L153-K156 PolarHBondContact O-N 3.11Å; L153-K156 VanDerWaalsContact O-N 3.12Å; E154-K156 PolarHBondContact O-N 3.39Å; K156-S165 WeakPolarHBondContact O-CB 3.39Å; K156-S165 PolarHBondContact O-N 3.48Å
157N84.5Confident91Very high29 Ų2957.9 Ų57.916%0.15532%0.315CS..Hα-helixtrans-91.8-3.6179.7-65.4-12.7000113.3L153 E154 R155 R164 S165 E168L153-N157 PolarHBondContact O-N 3.28Å; E154-N157 CarbonylContact O-C 3.24Å; E154-N157 PolarHBondContact O-N 3.47Å; E154-N157 VanDerWaalsContact O-N 3.09Å; R155-N157 PolarHBondContact O-N 3.17Å; N157-R164 PolarHBondContact O-NE 3.46Å; N157-R164 PolarHBondContact O-NH2 2.79Å; N157-S165 WeakPolarHBondContact OD1-CB 3.44Å; N157-E168 PolarHBondContact ND2-OE1 3.41Å; N157-E168 PolarHBondContact ND2-OE2 2.94Å
158A86.6Confident90.7Very high55 Ų5560.1 Ų60.146%0.45533%0.326SS..  trans-96.3157.1179.600000112.6E154 R155 R164E154-A158 WeakPolarHBondContact O-CB 3.48Å; E154-A158 PolarHBondContact O-N 3.36Å; R155-A158 PolarHBondContact O-N 2.99Å; R155-A158 VanDerWaalsContact O-N 3.16Å; A158-R164 WeakPolarHBondContact O-CB 3.35Å
159G89.3Confident90.5Very high53 Ų5360.5 Ų60.555%0.54632%0.323SS..SBendtrans103.4-169177.100000113.9R164G159-R164 WeakPolarHBondContact O-CD 3.45Å
160S94.2Very high90.5Very high44 Ų4457 Ų5731%0.30830%0.304SS..  trans-74.2165.5178.268.30000111.9L162 T163 R164S160-L162 PolarHBondContact O-N 2.98Å; S160-L162 WeakPolarHBondContact OG-CB 3.47Å; S160-L162 PolarHBondContact OG-N 2.96Å; S160-T163 PolarHBondContact N-OG1 3.18Å; S160-T163 PolarHBondContact O-N 3.37Å; S160-T163 PolarHBondContact O-OG1 3.03Å; S160-T163 PolarHBondContact OG-OG1 3.15Å; S160-R164 WeakPolarHBondContact O-CB 3.33Å; S160-R164 VanDerWaalsContact O-CG 3.28Å; S160-R164 WeakPolarHBondContact O-CG 3.41Å; S160-R164 PolarHBondContact O-N 3.43Å
161L95.4Very high90.5Very high3 Ų363.7 Ų63.72%0.01633%0.333CS..THydrogen-bonded Turntrans-55.5-23.1173.1-68.5169.8000113.2L166 I169 V188 D219 L224 R249L161-L166 HydrophobicContact CD2-CD2 4.28Å; L161-I169 HydrophobicContact CD2-CD1 3.57Å; L161-V188 HydrophobicContact CB-CG1 4.22Å; L161-V188 HydrophobicContact CB-CG2 4Å; L161-D219 WeakPolarHBondContact CB-OD2 3.25Å; L161-D219 HydrophobicContact CD1-CB 4.1Å; L161-D219 HydrophobicContact CG-CB 4.06Å; L161-D219 WeakPolarHBondContact CG-OD2 3.47Å; L161-D219 PolarHBondContact N-OD2 3.25Å; L161-L224 HydrophobicContact CD1-CB 3.97Å; L161-L224 HydrophobicContact CD2-CB 4.18Å; L161-L224 HydrophobicContact CD2-CD2 4.44Å; L161-R249 PolarHBondContact O-NE 2.96Å; L161-R249 VanDerWaalsContact O-NE 3.15Å
162L93Very high90.6Very high64 Ų6463.4 Ų63.434%0.33533%0.33SS..THydrogen-bonded Turntrans-71.8-28.9176.1-64.2172.6000113.5S160 V188 I247 R249S160-L162 PolarHBondContact O-N 2.98Å; S160-L162 WeakPolarHBondContact OG-CB 3.47Å; S160-L162 PolarHBondContact OG-N 2.96Å; L162-V188 HydrophobicContact CD2-CB 3.68Å; L162-V188 HydrophobicContact CD2-CG1 3.5Å; L162-V188 VanDerWaalsContact CD2-CG1 3.5Å; L162-V188 HydrophobicContact CD2-CG2 4.08Å; L162-V188 HydrophobicContact CG-CG1 3.98Å; L162-I247 HydrophobicContact CD1-CD1 4.39Å; L162-I247 HydrophobicContact CD2-CB 3.88Å; L162-I247 HydrophobicContact CD2-CD1 3.48Å; L162-I247 VanDerWaalsContact CD2-CD1 3.48Å; L162-I247 HydrophobicContact CD2-CG1 4.23Å; L162-I247 HydrophobicContact CD2-CG2 3.9Å; L162-R249 PolarHBondContact O-NE 3.37Å; L162-R249 PolarHBondContact O-NH1 3.46Å
163T91.6Very high90.8Very high97 Ų9766.8 Ų66.860%0.59535%0.348SS*.THydrogen-bonded Turntrans-117.3-31.9-169.755.70000113.2S160S160-T163 PolarHBondContact N-OG1 3.18Å; S160-T163 PolarHBondContact O-N 3.37Å; S160-T163 PolarHBondContact O-OG1 3.03Å; S160-T163 PolarHBondContact OG-OG1 3.15Å
164R92.8Very high91.1Very high73 Ų7367 Ų6728%0.27535%0.35SS..SBendtrans-74.8158.2-176.976.2-175.2-65.6-178.9-1.5112.3N157 A158 G159 S160 I169 R249N157-R164 PolarHBondContact O-NE 3.46Å; N157-R164 PolarHBondContact O-NH2 2.79Å; A158-R164 WeakPolarHBondContact O-CB 3.35Å; G159-R164 WeakPolarHBondContact O-CD 3.45Å; S160-R164 WeakPolarHBondContact O-CB 3.33Å; S160-R164 VanDerWaalsContact O-CG 3.28Å; S160-R164 WeakPolarHBondContact O-CG 3.41Å; S160-R164 PolarHBondContact O-N 3.43Å; R164-I169 HydrophobicContact CG-CD1 4.28Å; R164-R249 PolarHBondContact O-NH2 3.41Å
165S91.4Very high91.5Very high35 Ų3563.3 Ų63.325%0.24533%0.332CS..  trans-61.2136.7166-176.50000110.2K156 N157 A167K156-S165 WeakPolarHBondContact O-CB 3.39Å; K156-S165 PolarHBondContact O-N 3.48Å; N157-S165 WeakPolarHBondContact OD1-CB 3.44Å; S165-A167 WeakPolarHBondContact OG-CB 3.49Å; S165-A167 PolarHBondContact OG-N 3.31Å
166L93.5Very high91.8Very high1 Ų158.9 Ų58.91%0.00532%0.322CS..SBendtrans-93.8-5.8178.4-54.9176.1000112.1L161 E168 I169 V170 L186 L224 R249 F251L161-L166 HydrophobicContact CD2-CD2 4.28Å; L166-E168 VanDerWaalsContact C-N 3.31Å; L166-E168 PolarHBondContact O-N 2.9Å; L166-I169 HydrophobicContact CD2-CD1 4.02Å; L166-I169 WeakPolarHBondContact O-CB 3.48Å; L166-I169 PolarHBondContact O-N 2.91Å; L166-V170 HydrophobicContact CB-CG1 4.42Å; L166-V170 WeakPolarHBondContact O-CG2 3.22Å; L166-V170 PolarHBondContact O-N 3.44Å; L166-V170 VanDerWaalsContact O-N 3.1Å; L166-L186 HydrophobicContact CB-CD1 4.04Å; L166-L186 HydrophobicContact CD1-CB 4.15Å; L166-L186 HydrophobicContact CD1-CD1 3.44Å; L166-L186 VanDerWaalsContact CD1-CD1 3.44Å; L166-L186 HydrophobicContact CD1-CG 4.49Å; L166-L186 HydrophobicContact CG-CD1 4.38Å; L166-L224 HydrophobicContact CD1-CD1 4.01Å; L166-L224 HydrophobicContact CD2-CD1 4.17Å; L166-L224 HydrophobicContact CD2-CD2 3.99Å; L166-R249 HydrophobicContact CD1-CB 3.69Å; L166-R249 HydrophobicContact CD1-CG 3.81Å; L166-F251 HydrophobicContact CB-CD2 3.85Å; L166-F251 HydrophobicContact CB-CE2 3.97Å; L166-F251 HydrophobicContact CB-CG 4.31Å; L166-F251 HydrophobicContact CD1-CB 4.23Å; L166-F251 HydrophobicContact CD1-CG 4.4Å
167A90.5Very high92.1Very high16 Ų1655.7 Ų55.713%0.13231%0.31CS..THydrogen-bonded Turntrans-53.1-44.2-17800000112.7S165 I169 F251 M258S165-A167 WeakPolarHBondContact OG-CB 3.49Å; S165-A167 PolarHBondContact OG-N 3.31Å; A167-I169 VanDerWaalsContact C-N 3.26Å; A167-I169 PolarHBondContact O-N 2.87Å; A167-F251 HydrophobicContact CB-CE2 4.38Å; A167-M258 HydrophobicContact CB-CE 4.16Å; A167-M258 HydrophobicContact CB-CG 3.76Å; A167-M258 HydrophobicContact CB-SD 4.26Å; A167-M258 WeakPolarHBondContact O-CE 3.34Å
168E87.6Confident92.4Very high100 Ų10062.5 Ų62.547%0.46735%0.347SS..THydrogen-bonded Turntrans-80.4-7-179.3-62.9-173.1158.400114.1N157 L166 M265N157-E168 PolarHBondContact ND2-OE1 3.41Å; N157-E168 PolarHBondContact ND2-OE2 2.94Å; L166-E168 VanDerWaalsContact C-N 3.31Å; L166-E168 PolarHBondContact O-N 2.9Å; E168-M265 WeakPolarHBondContact OE1-CE 3.32Å
169I91.2Very high92.7Very high31 Ų3161.1 Ų61.116%0.15933%0.334CS..THydrogen-bonded Turntrans-97.7-41.3-174.3-57.3-179.3000110.7L161 R164 L166 A167 L224L161-I169 HydrophobicContact CD2-CD1 3.57Å; R164-I169 HydrophobicContact CG-CD1 4.28Å; L166-I169 HydrophobicContact CD2-CD1 4.02Å; L166-I169 WeakPolarHBondContact O-CB 3.48Å; L166-I169 PolarHBondContact O-N 2.91Å; A167-I169 VanDerWaalsContact C-N 3.26Å; A167-I169 PolarHBondContact O-N 2.87Å; I169-L224 HydrophobicContact CG2-CD2 3.85Å
170V94.4Very high92.9Very high9 Ų966 Ų666%0.05534%0.343CS..  trans-95.1155.2-173-54.80000112.2L166 D174 F175 L186 L216 L224 F251 Y253L166-V170 HydrophobicContact CB-CG1 4.42Å; L166-V170 WeakPolarHBondContact O-CG2 3.22Å; L166-V170 PolarHBondContact O-N 3.44Å; L166-V170 VanDerWaalsContact O-N 3.1Å; V170-D174 WeakPolarHBondContact CA-OD2 3.37Å; V170-F175 HydrophobicContact CB-CE2 3.7Å; V170-F175 HydrophobicContact CB-CZ 3.93Å; V170-F175 HydrophobicContact CG1-CE2 4.48Å; V170-F175 HydrophobicContact CG1-CZ 4.26Å; V170-F175 HydrophobicContact CG2-CE2 3.55Å; V170-F175 HydrophobicContact CG2-CZ 3.68Å; V170-L186 HydrophobicContact CG1-CD1 3.74Å; V170-L186 HydrophobicContact CG1-CD2 4.2Å; V170-L216 HydrophobicContact CB-CD1 4.49Å; V170-L216 HydrophobicContact CG1-CD1 3.82Å; V170-L224 HydrophobicContact CG1-CD2 3.97Å; V170-F251 HydrophobicContact CG2-CE1 3.75Å; V170-F251 HydrophobicContact CG2-CZ 3.74Å; V170-Y253 HydrophobicContact CG2-CD2 4.17Å; V170-Y253 HydrophobicContact CG2-CE2 4.5Å
171K93.5Very high92.9Very high144 Ų14471.3 Ų71.363%0.62636%0.357SS*.  trans-117.1161.8179.6-60.3173.7-172.7170.20110D173 D174 F175K171-D173 PolarHBondContact O-N 3.29Å; K171-D174 PolarHBondContact N-OD2 3.35Å; K171-D174 VanDerWaalsContact O-CB 3.32Å; K171-D174 WeakPolarHBondContact O-CB 3.46Å; K171-D174 PolarHBondContact O-N 2.77Å; K171-F175 VanDerWaalsContact O-CD2 3.27Å; K171-F175 WeakPolarHBondContact O-CD2 3.28Å; K171-F175 WeakPolarHBondContact O-CE2 3.47Å
172K93.6Very high93Very high94 Ų9473.1 Ų73.141%0.40937%0.366SS..G310 helixtrans-51.1-44.3175.9-166.4173-176.3154.50112.9D174 F175 L177 Y253 E255K172-D174 PolarHBondContact O-N 2.83Å; K172-F175 PolarHBondContact O-N 2.93Å; K172-F175 VanDerWaalsContact O-N 3.16Å; K172-L177 HydrophobicContact CD-CD1 4.36Å; K172-L177 HydrophobicContact CG-CD1 3.65Å; K172-Y253 VanDerWaalsContact CA-CZ 3.48Å; K172-Y253 WeakPolarHBondContact CA-OH 3.47Å; K172-Y253 HydrophobicContact CB-CE1 4.16Å; K172-Y253 WeakPolarHBondContact CB-OH 3.48Å; K172-Y253 HydrophobicContact CG-CE1 3.98Å; K172-Y253 PolarHBondContact N-OH 2.67Å; K172-E255 IonicContact NZ-OE2 2.75Å; K172-E255 PolarHBondContact NZ-OE2 3.47Å
173D93.7Very high93.2Very high153 Ų15371.3 Ų71.382%0.81836%0.358SS*.G310 helixtrans-68.2-12.9-176.9-60.6-21.8000113.5K171 F175K171-D173 PolarHBondContact O-N 3.29Å; D173-F175 PolarHBondContact O-N 2.91Å
174D95.3Very high93.4Very high33 Ų3367.1 Ų67.118%0.17633%0.332CS..G310 helixtrans-75.6-10.8176-58.7-32.6000112V170 K171 K172 T184 L216 N226V170-D174 WeakPolarHBondContact CA-OD2 3.37Å; K171-D174 PolarHBondContact N-OD2 3.35Å; K171-D174 VanDerWaalsContact O-CB 3.32Å; K171-D174 WeakPolarHBondContact O-CB 3.46Å; K171-D174 PolarHBondContact O-N 2.77Å; K172-D174 PolarHBondContact O-N 2.83Å; D174-T184 WeakPolarHBondContact O-CG2 3.31Å; D174-L216 HydrophobicContact CB-CD1 3.89Å; D174-L216 HydrophobicContact CB-CD2 4.04Å; D174-L216 WeakPolarHBondContact OD1-CD2 3.35Å; D174-N226 PolarHBondContact O-ND2 3.09Å
175F96Very high93.7Very high21 Ų2164 Ų649%0.09232%0.321CS..SBendtrans-123.3144.1-173.2-57.6-95.9000113.2V170 K171 K172 D173 L177 T184 L186 F251 Y253V170-F175 HydrophobicContact CB-CE2 3.7Å; V170-F175 HydrophobicContact CB-CZ 3.93Å; V170-F175 HydrophobicContact CG1-CE2 4.48Å; V170-F175 HydrophobicContact CG1-CZ 4.26Å; V170-F175 HydrophobicContact CG2-CE2 3.55Å; V170-F175 HydrophobicContact CG2-CZ 3.68Å; K171-F175 VanDerWaalsContact O-CD2 3.27Å; K171-F175 WeakPolarHBondContact O-CD2 3.28Å; K171-F175 WeakPolarHBondContact O-CE2 3.47Å; K172-F175 PolarHBondContact O-N 2.93Å; K172-F175 VanDerWaalsContact O-N 3.16Å; D173-F175 PolarHBondContact O-N 2.91Å; F175-L177 HydrophobicContact CB-CD2 3.69Å; F175-L177 HydrophobicContact CB-CG 4.14Å; F175-L177 PolarHBondContact O-N 3.48Å; F175-T184 HydrophobicContact CD1-CG2 4.12Å; F175-L186 HydrophobicContact CE1-CD1 4.29Å; F175-L186 HydrophobicContact CE1-CD2 4Å; F175-L186 HydrophobicContact CE1-CG 4.01Å; F175-L186 HydrophobicContact CZ-CD1 3.95Å; F175-L186 HydrophobicContact CZ-CD2 3.88Å; F175-L186 HydrophobicContact CZ-CG 4.07Å; F175-F251 HydrophobicContact CE1-CD1 4.02Å; F175-F251 HydrophobicContact CE1-CE1 4.04Å; F175-F251 HydrophobicContact CE2-CE1 4.37Å; F175-F251 AromaticContact CZ-CD1 3.91Å; F175-F251 HydrophobicContact CZ-CD1 3.91Å; F175-F251 AromaticContact CZ-CE1 3.56Å; F175-F251 HydrophobicContact CZ-CE1 3.56Å; F175-Y253 AromaticContact CD2-CD2 3.54Å; F175-Y253 HydrophobicContact CD2-CD2 3.54Å; F175-Y253 HydrophobicContact CD2-CE2 4.3Å; F175-Y253 AromaticContact CD2-CG 3.72Å; F175-Y253 HydrophobicContact CD2-CG 3.72Å; F175-Y253 AromaticContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CE2 4.2Å; F175-Y253 AromaticContact CE2-CG 3.91Å; F175-Y253 HydrophobicContact CE2-CG 3.91Å; F175-Y253 HydrophobicContact CG-CD2 4.38Å; F175-Y253 HydrophobicContact CG-CG 4.14Å; F175-Y253 HydrophobicContact CZ-CD2 4.09Å; F175-Y253 HydrophobicContact CZ-CG 4.47Å
176V94.5Very high94Very high57 Ų5762.4 Ų62.435%0.34531%0.31SS..  trans-81.9106.7159.9-179.80000108.6L182 T184 T228V176-L182 HydrophobicContact CG1-CB 3.99Å; V176-L182 HydrophobicContact CG1-CD1 4.31Å; V176-T184 PolarHBondContact N-OG1 2.66Å; V176-T228 HydrophobicContact CB-CG2 4.31Å; V176-T228 HydrophobicContact CG2-CG2 3.77Å
177L91.9Very high94.2Very high58 Ų5862.4 Ų62.430%0.30431%0.309SS..  trans-96163178.5-56.2179.2000111.2K172 F175 S179 Y253K172-L177 HydrophobicContact CD-CD1 4.36Å; K172-L177 HydrophobicContact CG-CD1 3.65Å; F175-L177 HydrophobicContact CB-CD2 3.69Å; F175-L177 HydrophobicContact CB-CG 4.14Å; F175-L177 PolarHBondContact O-N 3.48Å; L177-S179 PolarHBondContact O-N 3.24Å; L177-Y253 HydrophobicContact CD1-CD1 3.86Å; L177-Y253 HydrophobicContact CD1-CE1 3.97Å; L177-Y253 HydrophobicContact CD2-CD1 3.8Å; L177-Y253 HydrophobicContact CD2-CG 4.33Å; L177-Y253 HydrophobicContact CG-CD1 4.48Å
178D89.6Confident94.6Very high171 Ų17161.7 Ų61.791%0.91430%0.303SS*.SBendtrans55.220174-52.3-39.5000116
179S93.1Very high95.1Very high26 Ų2656.9 Ų56.918%0.18228%0.281CS..  trans-94.2126.2174.4-169.80000111.6L177 Y181 L182 R231L177-S179 PolarHBondContact O-N 3.24Å; S179-Y181 PolarHBondContact O-N 3.02Å; S179-Y181 PolarHBondContact OG-N 2.7Å; S179-L182 PolarHBondContact OG-N 3.4Å; S179-R231 PolarHBondContact O-NE 3.48Å; S179-R231 VanDerWaalsContact O-NE 3.12Å; S179-R231 PolarHBondContact O-NH2 3.39Å
180E93.4Very high95.4Very high157 Ų15757.2 Ų57.273%0.73429%0.285SS*.SBendtrans-68.6-21.4169.6-64.8-174.5166.900112.5R231E180-R231 WeakPolarHBondContact O-CD 3.36Å
181Y95.3Very high95.6Very high154 Ų15460.2 Ų60.260%0.60430%0.297SS*.SBendtrans-110.5-40.2-172.5-60.7-77.5000113.3S179 F230 R231S179-Y181 PolarHBondContact O-N 3.02Å; S179-Y181 PolarHBondContact OG-N 2.7Å; Y181-F230 CarbonylContact O-C 3.5Å; Y181-F230 VanDerWaalsContact O-CA 3.27Å; Y181-F230 WeakPolarHBondContact O-CA 3.38Å; Y181-R231 PolarHBondContact O-N 3.01Å
182L96.8Very high95.7Very high42 Ų4260.7 Ų60.722%0.2231%0.306CS..EExtended strand (participates in β ladder)trans-98.2151.2-174.9-60.4177.9000111.2V176 S179 V209 T228 L229 F230 R231V176-L182 HydrophobicContact CG1-CB 3.99Å; V176-L182 HydrophobicContact CG1-CD1 4.31Å; S179-L182 PolarHBondContact OG-N 3.4Å; L182-V209 HydrophobicContact CD2-CG2 4.04Å; L182-T228 HydrophobicContact CB-CG2 4.21Å; L182-T228 HydrophobicContact CD1-CG2 4.48Å; L182-L229 WeakPolarHBondContact CA-O 3.41Å; L182-F230 HydrophobicContact CD2-CD1 4.34Å; L182-F230 HydrophobicContact CD2-CD2 3.71Å; L182-F230 HydrophobicContact CD2-CE1 4.37Å; L182-F230 HydrophobicContact CD2-CE2 3.78Å; L182-F230 HydrophobicContact CD2-CG 4.03Å; L182-F230 HydrophobicContact CD2-CZ 4.12Å; L182-R231 PolarHBondContact O-NE 3.37Å
183V96.6Very high95.9Very high26 Ų2657.9 Ų57.916%0.15830%0.296CS..EExtended strand (participates in β ladder)trans-144144.6170.961.90000109L185 T228 L229 R231 V234V183-L185 HydrophobicContact CG2-CD2 4.41Å; V183-T228 WeakPolarHBondContact O-CA 3.31Å; V183-L229 PolarHBondContact N-O 3.08Å; V183-L229 PolarHBondContact O-N 3Å; V183-R231 HydrophobicContact CB-CG 3.94Å; V183-R231 HydrophobicContact CG1-CG 3.94Å; V183-V234 HydrophobicContact CG1-CG2 3.45Å; V183-V234 VanDerWaalsContact CG1-CG2 3.45Å
184T97.6Very high96Very high8 Ų852.6 Ų52.65%0.04927%0.266CS..EExtended strand (participates in β ladder)trans-101.5126.8171.3-54.80000109.6D174 F175 V176 N226 V227 T228D174-T184 WeakPolarHBondContact O-CG2 3.31Å; F175-T184 HydrophobicContact CD1-CG2 4.12Å; V176-T184 PolarHBondContact N-OG1 2.66Å; T184-N226 HydrophobicContact CG2-CB 3.78Å; T184-V227 CarbonylContact C-O 3.56Å; T184-V227 VanDerWaalsContact CA-O 3.29Å; T184-V227 WeakPolarHBondContact CA-O 3.48Å; T184-T228 PolarHBondContact OG1-OG1 2.91Å
185L97.8Very high96.1Very high9 Ų956.5 Ų56.55%0.04729%0.287CS..EExtended strand (participates in β ladder)trans-101.9151.1173.3-58.8179.5000110.1V183 N226 V227 L229 V234 F237 V248V183-L185 HydrophobicContact CG2-CD2 4.41Å; L185-N226 CarbonylContact O-C 3.53Å; L185-N226 WeakPolarHBondContact O-CA 3.43Å; L185-V227 HydrophobicContact CB-CG1 3.98Å; L185-V227 PolarHBondContact N-O 2.94Å; L185-V227 PolarHBondContact O-N 3.21Å; L185-L229 HydrophobicContact CB-CD2 4.43Å; L185-L229 HydrophobicContact CD1-CD1 4.36Å; L185-L229 HydrophobicContact CD1-CD2 3.7Å; L185-L229 HydrophobicContact CG-CD2 3.78Å; L185-V234 HydrophobicContact CD1-CG1 4.23Å; L185-V234 HydrophobicContact CD1-CG2 4.49Å; L185-V234 HydrophobicContact CD2-CG1 4.38Å; L185-F237 HydrophobicContact CD1-CD1 3.88Å; L185-F237 HydrophobicContact CD1-CE1 4.41Å; L185-V248 HydrophobicContact CB-CG1 4.11Å; L185-V248 HydrophobicContact CD1-CG1 4.03Å; L185-V248 HydrophobicContact CG-CG1 4.46Å
186L98.2Very high96.2Very high1 Ų158.7 Ų58.71%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-102.4132.1170.3-61.7-177.8000109.5L166 V170 F175 L216 L224 C225 N226 V248 R249 F251L166-L186 HydrophobicContact CB-CD1 4.04Å; L166-L186 HydrophobicContact CD1-CB 4.15Å; L166-L186 HydrophobicContact CD1-CD1 3.44Å; L166-L186 VanDerWaalsContact CD1-CD1 3.44Å; L166-L186 HydrophobicContact CD1-CG 4.49Å; L166-L186 HydrophobicContact CG-CD1 4.38Å; V170-L186 HydrophobicContact CG1-CD1 3.74Å; V170-L186 HydrophobicContact CG1-CD2 4.2Å; F175-L186 HydrophobicContact CE1-CD1 4.29Å; F175-L186 HydrophobicContact CE1-CD2 4Å; F175-L186 HydrophobicContact CE1-CG 4.01Å; F175-L186 HydrophobicContact CZ-CD1 3.95Å; F175-L186 HydrophobicContact CZ-CD2 3.88Å; F175-L186 HydrophobicContact CZ-CG 4.07Å; L186-L216 HydrophobicContact CD2-CD1 3.65Å; L186-L224 HydrophobicContact CB-CD1 4.17Å; L186-C225 CarbonylContact C-O 3.58Å; L186-C225 WeakPolarHBondContact CA-O 3.48Å; L186-N226 HydrophobicContact CD2-CB 4.19Å; L186-V248 CarbonylContact O-C 3.55Å; L186-V248 WeakPolarHBondContact O-CA 3.47Å; L186-R249 HydrophobicContact CB-CB 4.35Å; L186-R249 PolarHBondContact O-N 2.91Å; L186-F251 HydrophobicContact CD1-CB 4.01Å; L186-F251 HydrophobicContact CD1-CD1 3.43Å; L186-F251 VanDerWaalsContact CD1-CD1 3.43Å; L186-F251 HydrophobicContact CD1-CE1 4.06Å; L186-F251 HydrophobicContact CD1-CG 3.78Å; L186-F251 HydrophobicContact CG-CD1 4.28Å
187V98.3Very high96.3Very high0 Ų056 Ų560%028%0.283CS..EExtended strand (participates in β ladder)trans-128.3124.2-174.4-170.30000109.3V189 W197 C225 V227 F237 F246 I247 V248V187-V189 HydrophobicContact CB-CG2 4.45Å; V187-V189 HydrophobicContact CG1-CG2 3.97Å; V187-W197 HydrophobicContact CB-CH2 3.83Å; V187-W197 HydrophobicContact CB-CZ2 4.32Å; V187-W197 HydrophobicContact CB-CZ3 4.27Å; V187-W197 HydrophobicContact CG1-CE3 4.49Å; V187-W197 HydrophobicContact CG1-CH2 3.91Å; V187-W197 HydrophobicContact CG1-CZ3 3.81Å; V187-W197 HydrophobicContact CG2-CH2 3.68Å; V187-W197 HydrophobicContact CG2-CZ2 4.39Å; V187-W197 HydrophobicContact CG2-CZ3 4.34Å; V187-C225 PolarHBondContact N-O 3.24Å; V187-C225 PolarHBondContact O-N 3.21Å; V187-V227 HydrophobicContact CG2-CG1 3.83Å; V187-F237 HydrophobicContact CG2-CE1 4.19Å; V187-F246 HydrophobicContact CG1-CB 3.72Å; V187-I247 WeakPolarHBondContact CA-O 3.46Å; V187-V248 HydrophobicContact CG2-CG2 4.12Å
188V98.2Very high96.6Very high1 Ų157.5 Ų57.51%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-86.8116.3171.5-177.20000108.1L161 L162 S222 Y223 L224 I247 R249L161-V188 HydrophobicContact CB-CG1 4.22Å; L161-V188 HydrophobicContact CB-CG2 4Å; L162-V188 HydrophobicContact CD2-CB 3.68Å; L162-V188 HydrophobicContact CD2-CG1 3.5Å; L162-V188 VanDerWaalsContact CD2-CG1 3.5Å; L162-V188 HydrophobicContact CD2-CG2 4.08Å; L162-V188 HydrophobicContact CG-CG1 3.98Å; V188-S222 VanDerWaalsContact CG1-CB 3.43Å; V188-Y223 CarbonylContact C-O 3.56Å; V188-Y223 WeakPolarHBondContact CA-O 3.23Å; V188-L224 HydrophobicContact CG2-CD1 3.94Å; V188-I247 HydrophobicContact CB-CB 4.42Å; V188-I247 PolarHBondContact N-O 3.47Å; V188-I247 PolarHBondContact O-N 2.61Å; V188-R249 HydrophobicContact CG2-CG 3.59Å
189V98.2Very high96.9Very high0 Ų057.4 Ų57.40%028%0.282CS..EExtended strand (participates in β ladder)trans-113.7117.3-175.31790000108.1V187 K191 W197 S222 Y223 C225 F246V187-V189 HydrophobicContact CB-CG2 4.45Å; V187-V189 HydrophobicContact CG1-CG2 3.97Å; V189-K191 PolarHBondContact O-N 2.88Å; V189-W197 HydrophobicContact CG1-CB 3.73Å; V189-W197 HydrophobicContact CG1-CG 4.15Å; V189-W197 HydrophobicContact CG2-CB 4.29Å; V189-W197 HydrophobicContact CG2-CD2 3.7Å; V189-W197 HydrophobicContact CG2-CE3 3.93Å; V189-W197 HydrophobicContact CG2-CG 3.86Å; V189-S222 CarbonylContact O-C 3.53Å; V189-S222 WeakPolarHBondContact O-CA 3.26Å; V189-Y223 PolarHBondContact N-O 3.3Å; V189-Y223 PolarHBondContact O-N 2.97Å; V189-C225 HydrophobicContact CG2-CB 4.42Å; V189-F246 HydrophobicContact CB-CD1 4.44Å; V189-F246 HydrophobicContact CG1-CD1 3.95Å; V189-F246 HydrophobicContact CG1-CE1 3.93Å; V189-F246 HydrophobicContact CG2-CD1 4.21Å
190P97.9Very high97Very high38 Ų3858.8 Ų58.825%0.24729%0.285CS..EExtended strand (participates in β ladder)trans-54.9137.1174.1-25.634.6000110.9L192 N193 H194P190-L192 PolarHBondContact O-N 3.16Å; P190-N193 CarbonylContact O-C 3.59Å; P190-N193 PolarHBondContact O-N 2.98Å; P190-H194 PolarHBondContact O-N 3.37Å
191K97.6Very high97.2Very high71 Ų7151.7 Ų51.731%0.30925%0.252SS..G310 helixtrans-54-34.8-178.5-71.9-173-177.7-170.90112.3V189 N193 H194 E218 D219 D221 Y223V189-K191 PolarHBondContact O-N 2.88Å; K191-N193 VanDerWaalsContact C-N 3.27Å; K191-N193 PolarHBondContact O-N 3.47Å; K191-H194 PolarHBondContact O-N 3.34Å; K191-E218 WeakPolarHBondContact CE-OE2 3.36Å; K191-E218 IonicContact NZ-OE2 2.94Å; K191-E218 PolarHBondContact NZ-OE2 3.08Å; K191-D219 WeakPolarHBondContact CE-O 3.41Å; K191-D219 PolarHBondContact NZ-O 3.29Å; K191-D221 WeakPolarHBondContact CG-O 3.36Å; K191-D221 PolarHBondContact N-O 3.27Å; K191-Y223 HydrophobicContact CB-CE2 4.16Å; K191-Y223 HydrophobicContact CD-CE2 4.36Å; K191-Y223 HydrophobicContact CG-CD2 3.93Å; K191-Y223 HydrophobicContact CG-CE2 3.64Å
192L96.6Very high97.3Very high154 Ų15447.8 Ų47.881%0.80624%0.239SC*.G310 helixtrans-59.9-33176.3-173.365.8000113.5P190P190-L192 PolarHBondContact O-N 3.16Å
193N96.6Very high97.3Very high36 Ų3651.1 Ų51.119%0.19326%0.262CS..G310 helixtrans-106.611-174.8-66.689.8000112.8P190 K191 N195 D196 W197 F246P190-N193 CarbonylContact O-C 3.59Å; P190-N193 PolarHBondContact O-N 2.98Å; K191-N193 VanDerWaalsContact C-N 3.27Å; K191-N193 PolarHBondContact O-N 3.47Å; N193-N195 VanDerWaalsContact C-N 3.3Å; N193-N195 PolarHBondContact O-N 2.84Å; N193-D196 PolarHBondContact ND2-OD2 2.96Å; N193-D196 WeakPolarHBondContact O-CB 3.25Å; N193-D196 PolarHBondContact O-N 3.49Å; N193-D196 VanDerWaalsContact O-N 3.12Å; N193-W197 PolarHBondContact O-N 3.38Å; N193-F246 HydrophobicContact CB-CE1 3.89Å
194H97.2Very high97.3Very high41 Ų4150.5 Ų50.519%0.1926%0.257CS..Hα-helixtrans-61.4-38179.7-179.2-102.1000112.6P190 K191 D196 W197 I198 Y223P190-H194 PolarHBondContact O-N 3.37Å; K191-H194 PolarHBondContact O-N 3.34Å; H194-D196 VanDerWaalsContact C-N 3.29Å; H194-D196 PolarHBondContact O-N 3.4Å; H194-W197 WeakPolarHBondContact O-CB 3.47Å; H194-W197 PolarHBondContact O-N 3.44Å; H194-I198 WeakPolarHBondContact O-CG1 3.29Å; H194-I198 PolarHBondContact O-N 2.87Å; H194-I198 VanDerWaalsContact O-N 3.09Å; H194-Y223 HydrophobicContact CB-CD2 3.9Å; H194-Y223 HydrophobicContact CB-CE2 4.01Å; H194-Y223 AromaticContact CD2-CD2 3.54Å; H194-Y223 AromaticContact CG-CD2 3.75Å; H194-Y223 AromaticContact CG-CE2 3.89Å
195N97.1Very high97.2Very high116 Ų11650.4 Ų50.462%0.6226%0.258SS*.Hα-helixtrans-64.6-34.8175.6-72.5-32.9000112.4N193 K199N193-N195 VanDerWaalsContact C-N 3.3Å; N193-N195 PolarHBondContact O-N 2.84Å; N195-K199 VanDerWaalsContact O-CG 3.31Å; N195-K199 WeakPolarHBondContact O-CG 3.38Å; N195-K199 PolarHBondContact O-N 2.92Å
196D97.1Very high97Very high66 Ų6657.3 Ų57.335%0.35329%0.29SS..Hα-helixtrans-68.9-45.3176.3-57.1-31.2000109.6N193 H194 I198 K199 Q200 F246N193-D196 PolarHBondContact ND2-OD2 2.96Å; N193-D196 WeakPolarHBondContact O-CB 3.25Å; N193-D196 PolarHBondContact O-N 3.49Å; N193-D196 VanDerWaalsContact O-N 3.12Å; H194-D196 VanDerWaalsContact C-N 3.29Å; H194-D196 PolarHBondContact O-N 3.4Å; D196-I198 PolarHBondContact O-N 3.21Å; D196-K199 PolarHBondContact O-N 2.92Å; D196-K199 VanDerWaalsContact O-N 3.12Å; D196-Q200 VanDerWaalsContact O-CG 3.23Å; D196-Q200 WeakPolarHBondContact O-CG 3.32Å; D196-Q200 PolarHBondContact O-N 2.63Å; D196-F246 HydrophobicContact CB-CZ 4.25Å
197W97.9Very high96.9Very high0 Ų061.3 Ų61.30%031%0.309CS..Hα-helixtrans-51.1-56175.6172.1-103.2000111.7V187 V189 N193 H194 K199 Q200 Y201 L204 S213 C225 V227 F237 F246V187-W197 HydrophobicContact CB-CH2 3.83Å; V187-W197 HydrophobicContact CB-CZ2 4.32Å; V187-W197 HydrophobicContact CB-CZ3 4.27Å; V187-W197 HydrophobicContact CG1-CE3 4.49Å; V187-W197 HydrophobicContact CG1-CH2 3.91Å; V187-W197 HydrophobicContact CG1-CZ3 3.81Å; V187-W197 HydrophobicContact CG2-CH2 3.68Å; V187-W197 HydrophobicContact CG2-CZ2 4.39Å; V187-W197 HydrophobicContact CG2-CZ3 4.34Å; V189-W197 HydrophobicContact CG1-CB 3.73Å; V189-W197 HydrophobicContact CG1-CG 4.15Å; V189-W197 HydrophobicContact CG2-CB 4.29Å; V189-W197 HydrophobicContact CG2-CD2 3.7Å; V189-W197 HydrophobicContact CG2-CE3 3.93Å; V189-W197 HydrophobicContact CG2-CG 3.86Å; N193-W197 PolarHBondContact O-N 3.38Å; H194-W197 WeakPolarHBondContact O-CB 3.47Å; H194-W197 PolarHBondContact O-N 3.44Å; W197-K199 PolarHBondContact O-N 3.01Å; W197-Q200 PolarHBondContact O-N 2.71Å; W197-Y201 HydrophobicContact CD2-CG 4.46Å; W197-Y201 HydrophobicContact CH2-CG 4.47Å; W197-Y201 HydrophobicContact CZ2-CD2 4.25Å; W197-Y201 HydrophobicContact CZ2-CG 4.11Å; W197-Y201 WeakPolarHBondContact O-CB 3.17Å; W197-Y201 WeakPolarHBondContact O-CD1 3.15Å; W197-Y201 PolarHBondContact O-N 2.93Å; W197-L204 HydrophobicContact CZ3-CD1 4.31Å; W197-S213 WeakPolarHBondContact CZ2-OG 3.32Å; W197-S213 PolarHBondContact NE1-OG 2.92Å; W197-C225 HydrophobicContact CZ2-CB 4.14Å; W197-V227 HydrophobicContact CH2-CB 4.25Å; W197-V227 HydrophobicContact CH2-CG1 4.15Å; W197-V227 HydrophobicContact CZ2-CB 4.18Å; W197-V227 HydrophobicContact CZ2-CG1 4.49Å; W197-F237 HydrophobicContact CH2-CE1 4.41Å; W197-F237 AromaticContact CH2-CZ 3.77Å; W197-F237 HydrophobicContact CH2-CZ 3.77Å; W197-F237 HydrophobicContact CZ3-CZ 4.02Å; W197-F246 HydrophobicContact CB-CE1 4.03Å; W197-F246 HydrophobicContact CB-CE2 4.48Å; W197-F246 HydrophobicContact CB-CZ 3.9Å; W197-F246 HydrophobicContact CE3-CB 4.42Å; W197-F246 HydrophobicContact CE3-CD1 4.31Å; W197-F246 AromaticContact CE3-CD2 3.56Å; W197-F246 HydrophobicContact CE3-CD2 3.56Å; W197-F246 HydrophobicContact CE3-CE1 4.48Å; W197-F246 AromaticContact CE3-CE2 3.76Å; W197-F246 HydrophobicContact CE3-CE2 3.76Å; W197-F246 AromaticContact CE3-CG 3.86Å; W197-F246 HydrophobicContact CE3-CG 3.86Å; W197-F246 HydrophobicContact CE3-CZ 4.24Å; W197-F246 HydrophobicContact CZ3-CB 4.39Å; W197-F246 AromaticContact CZ3-CD2 3.94Å; W197-F246 HydrophobicContact CZ3-CD2 3.94Å; W197-F246 HydrophobicContact CZ3-CE2 4.49Å; W197-F246 HydrophobicContact CZ3-CG 4.26Å
198I96.9Very high96.9Very high90 Ų9062 Ų6246%0.46231%0.313SS..Hα-helixtrans-58.5-34.4-178.9-63.6-62.8000112.5H194 D196H194-I198 WeakPolarHBondContact O-CG1 3.29Å; H194-I198 PolarHBondContact O-N 2.87Å; H194-I198 VanDerWaalsContact O-N 3.09Å; D196-I198 PolarHBondContact O-N 3.21Å
199K96.1Very high96.8Very high170 Ų17064.1 Ų64.174%0.73933%0.326SS*.Hα-helixtrans-78.1-28-178.5-73.8176.1-176.5177.50114N195 D196 W197N195-K199 VanDerWaalsContact O-CG 3.31Å; N195-K199 WeakPolarHBondContact O-CG 3.38Å; N195-K199 PolarHBondContact O-N 2.92Å; D196-K199 PolarHBondContact O-N 2.92Å; D196-K199 VanDerWaalsContact O-N 3.12Å; W197-K199 PolarHBondContact O-N 3.01Å
200Q96.3Very high96.7Very high54 Ų5467.9 Ų67.925%0.25235%0.351SS..Hα-helixtrans-129.4-11.1-16582.9-170-16.300115.6D196 W197 E202 T203 L204 N244 F246D196-Q200 VanDerWaalsContact O-CG 3.23Å; D196-Q200 WeakPolarHBondContact O-CG 3.32Å; D196-Q200 PolarHBondContact O-N 2.63Å; W197-Q200 PolarHBondContact O-N 2.71Å; Q200-E202 PolarHBondContact O-N 3.09Å; Q200-E202 VanDerWaalsContact O-N 3.13Å; Q200-T203 PolarHBondContact O-N 3.43Å; Q200-T203 PolarHBondContact O-OG1 3.49Å; Q200-T203 VanDerWaalsContact O-OG1 3.05Å; Q200-L204 HydrophobicContact CG-CD2 4.28Å; Q200-L204 PolarHBondContact O-N 2.97Å; Q200-N244 PolarHBondContact NE2-OD1 3.15Å; Q200-F246 HydrophobicContact CG-CE2 4.37Å
201Y97.6Very high96.6Very high8 Ų876.6 Ų76.63%0.03138%0.378CS..Hα-helixtrans-57.2-34.7-176.184.2-83000112.4W197 T203 L204 V208 R211 S212 V227W197-Y201 HydrophobicContact CD2-CG 4.46Å; W197-Y201 HydrophobicContact CH2-CG 4.47Å; W197-Y201 HydrophobicContact CZ2-CD2 4.25Å; W197-Y201 HydrophobicContact CZ2-CG 4.11Å; W197-Y201 WeakPolarHBondContact O-CB 3.17Å; W197-Y201 WeakPolarHBondContact O-CD1 3.15Å; W197-Y201 PolarHBondContact O-N 2.93Å; Y201-T203 VanDerWaalsContact C-N 3.25Å; Y201-T203 PolarHBondContact O-N 3.37Å; Y201-L204 PolarHBondContact O-N 3.06Å; Y201-V208 HydrophobicContact CD2-CG1 4.21Å; Y201-V208 HydrophobicContact CE2-CG1 4.22Å; Y201-R211 WeakPolarHBondContact OH-CA 3.23Å; Y201-R211 PolarHBondContact OH-N 3.14Å; Y201-S212 PolarHBondContact OH-N 3.49Å; Y201-S212 VanDerWaalsContact OH-N 3.12Å; Y201-V227 HydrophobicContact CD2-CB 4.42Å; Y201-V227 HydrophobicContact CD2-CG2 3.65Å; Y201-V227 HydrophobicContact CE2-CG2 3.89Å
202E97.4Very high96.6Very high73 Ų7374 Ų7434%0.34137%0.369SS..Hα-helixtrans-66.9-24178.7-57.4-172.2177.300113.4Q200 R211Q200-E202 PolarHBondContact O-N 3.09Å; Q200-E202 VanDerWaalsContact O-N 3.13Å; E202-R211 PolarHBondContact OE1-N 2.99Å
203T96.7Very high96.6Very high112 Ų11267.4 Ų67.469%0.68734%0.336SS*.Hα-helixtrans-1081.9-176.360.30000113.1Q200 Y201Q200-T203 PolarHBondContact O-N 3.43Å; Q200-T203 PolarHBondContact O-OG1 3.49Å; Q200-T203 VanDerWaalsContact O-OG1 3.05Å; Y201-T203 VanDerWaalsContact C-N 3.25Å; Y201-T203 PolarHBondContact O-N 3.37Å
204L95.8Very high96.6Very high12 Ų1270.4 Ų70.46%0.06335%0.352CS..Hα-helixtrans-59.3-58.2175-70177.5000109.5W197 Q200 Y201 F237 K240 A241 F246W197-L204 HydrophobicContact CZ3-CD1 4.31Å; Q200-L204 HydrophobicContact CG-CD2 4.28Å; Q200-L204 PolarHBondContact O-N 2.97Å; Y201-L204 PolarHBondContact O-N 3.06Å; L204-F237 HydrophobicContact CB-CD2 3.98Å; L204-F237 HydrophobicContact CB-CE2 3.94Å; L204-F237 HydrophobicContact CD1-CD2 4.45Å; L204-F237 HydrophobicContact CD1-CE2 3.79Å; L204-F237 HydrophobicContact CD1-CZ 4.01Å; L204-F237 HydrophobicContact CG-CE2 4.43Å; L204-K240 HydrophobicContact CB-CB 4.34Å; L204-K240 HydrophobicContact CD2-CB 4.29Å; L204-K240 WeakPolarHBondContact O-CD 3.34Å; L204-K240 WeakPolarHBondContact O-CE 3.46Å; L204-K240 PolarHBondContact O-NZ 3.47Å; L204-A241 HydrophobicContact CD1-CB 4.34Å; L204-F246 HydrophobicContact CD1-CD2 4.21Å; L204-F246 HydrophobicContact CD1-CE2 4.46Å
205A95.3Very high96.6Very high7 Ų771.7 Ų71.76%0.05836%0.363CS..SBendtrans-119.6160177.900000111.3V208 A233 D236 F237A205-V208 HydrophobicContact CB-CG2 4.18Å; A205-V208 WeakPolarHBondContact O-CG2 3.36Å; A205-A233 HydrophobicContact CB-CB 4.37Å; A205-D236 WeakPolarHBondContact CA-OD2 3.39Å; A205-D236 HydrophobicContact CB-CB 4.3Å; A205-D236 VanDerWaalsContact CB-OD2 3.3Å; A205-D236 WeakPolarHBondContact CB-OD2 3.33Å; A205-F237 HydrophobicContact CB-CB 3.85Å; A205-F237 HydrophobicContact CB-CD2 4.13Å
206E93.7Very high96.6Very high154 Ų15468.1 Ų68.172%0.7234%0.343SS*.THydrogen-bonded Turntrans-63.6154.5164.4-65.7-173.9178.600109.9V208 A233E206-V208 VanDerWaalsContact C-N 3.28Å; E206-V208 PolarHBondContact O-N 3.26Å; E206-A233 WeakPolarHBondContact O-CB 3.48Å
207M96.6Very high96.6Very high84 Ų8466.9 Ų66.941%0.41434%0.34SS..THydrogen-bonded Turntrans63.426.1176.6-49.5175-81.700115L229 F230 K232 A233M207-L229 WeakPolarHBondContact O-CA 3.36Å; M207-L229 WeakPolarHBondContact O-CB 3.13Å; M207-F230 HydrophobicContact CB-CB 3.76Å; M207-F230 HydrophobicContact CB-CD2 3.64Å; M207-F230 HydrophobicContact CB-CE2 4.47Å; M207-F230 HydrophobicContact CB-CG 3.89Å; M207-F230 HydrophobicContact CG-CB 4.48Å; M207-F230 HydrophobicContact CG-CD2 4.46Å; M207-F230 HydrophobicContact CG-CG 4.49Å; M207-F230 WeakPolarHBondContact O-CD2 3.34Å; M207-F230 PolarHBondContact O-N 2.87Å; M207-F230 HydrophobicContact SD-CB 4.01Å; M207-F230 HydrophobicContact SD-CG 4.27Å; M207-K232 HydrophobicContact CE-CB 3.97Å; M207-A233 HydrophobicContact CB-CB 4.24Å; M207-A233 HydrophobicContact CE-CB 3.87Å
208V97.8Very high96.5Very high14 Ų1472 Ų729%0.08536%0.364CS..BIsolated β-bridgetrans-77.1134.4162.2179.90000108.8Y201 A205 E206 P210 V227 L229 F237Y201-V208 HydrophobicContact CD2-CG1 4.21Å; Y201-V208 HydrophobicContact CE2-CG1 4.22Å; A205-V208 HydrophobicContact CB-CG2 4.18Å; A205-V208 WeakPolarHBondContact O-CG2 3.36Å; E206-V208 VanDerWaalsContact C-N 3.28Å; E206-V208 PolarHBondContact O-N 3.26Å; V208-P210 VanDerWaalsContact O-CD 3.31Å; V208-P210 WeakPolarHBondContact O-CD 3.33Å; V208-V227 HydrophobicContact CG1-CG2 3.87Å; V208-L229 HydrophobicContact CB-CB 4.47Å; V208-L229 HydrophobicContact CG2-CB 4.22Å; V208-F237 HydrophobicContact CG2-CD2 3.7Å; V208-F237 HydrophobicContact CG2-CE2 3.98Å
209V97.3Very high96.5Very high46 Ų4669.5 Ų69.528%0.27935%0.352SS..PPolyproline II helixtrans-75.3120.1177.6-179.40000108.4L182 S212 T228L182-V209 HydrophobicContact CD2-CG2 4.04Å; V209-S212 WeakPolarHBondContact O-CB 3.26Å; V209-S212 PolarHBondContact O-N 3.3Å; V209-S212 PolarHBondContact O-OG 3.06Å; V209-T228 VanDerWaalsContact CB-O 3.3Å; V209-T228 WeakPolarHBondContact CB-O 3.43Å; V209-T228 HydrophobicContact CG2-CG2 4.03Å; V209-T228 PolarHBondContact N-O 3.44Å
210P96.1Very high96.4Very high79 Ų7969.4 Ų69.451%0.51335%0.354SS..THydrogen-bonded Turntrans-62.4147.1179.4-24.135.3000112.2V208 S212V208-P210 VanDerWaalsContact O-CD 3.31Å; V208-P210 WeakPolarHBondContact O-CD 3.33Å; P210-S212 PolarHBondContact O-N 3.34Å
211R95.8Very high96.4Very high221 Ų22172.1 Ų72.183%0.83437%0.37SS*.THydrogen-bonded Turntrans53.731.6-178.9-57.7172.9-69.3-179.3-2113.8Y201 E202Y201-R211 WeakPolarHBondContact OH-CA 3.23Å; Y201-R211 PolarHBondContact OH-N 3.14Å; E202-R211 PolarHBondContact OE1-N 2.99Å
212S96.1Very high96.4Very high17 Ų1772.2 Ų72.212%0.11937%0.372CS..  trans-98.74.7-179.169.40000114.3Y201 V209 P210 T228Y201-S212 PolarHBondContact OH-N 3.49Å; Y201-S212 VanDerWaalsContact OH-N 3.12Å; V209-S212 WeakPolarHBondContact O-CB 3.26Å; V209-S212 PolarHBondContact O-N 3.3Å; V209-S212 PolarHBondContact O-OG 3.06Å; P210-S212 PolarHBondContact O-N 3.34Å; S212-T228 PolarHBondContact OG-N 3.33Å; S212-T228 PolarHBondContact OG-O 3.3Å
213S97.6Very high96.5Very high15 Ų1571.5 Ų71.511%0.10537%0.366CS..  trans-107.8130-178.8-170.50000113W197 N226W197-S213 WeakPolarHBondContact CZ2-OG 3.32Å; W197-S213 PolarHBondContact NE1-OG 2.92Å; S213-N226 WeakPolarHBondContact CA-O 3.44Å; S213-N226 WeakPolarHBondContact CB-O 3.38Å; S213-N226 PolarHBondContact OG-O 2.87Å
214N96.5Very high96.5Very high100 Ų10066.1 Ų66.154%0.53533%0.334SS..  trans-133.4151.8174-61.7-65000110C225 N226N214-C225 WeakPolarHBondContact O-CA 3.47Å; N214-N226 PolarHBondContact N-OD1 3.34Å; N214-N226 PolarHBondContact O-N 3.35Å; N214-N226 VanDerWaalsContact O-N 3.07Å; N214-N226 PolarHBondContact O-OD1 2.92Å
215V97.7Very high96.6Very high68 Ų6865.6 Ų65.641%0.41233%0.331SS..EExtended strand (participates in β ladder)trans-77.7120.2169.1177.40000108.7Y223V215-Y223 HydrophobicContact CG1-CD1 3.59Å; V215-Y223 HydrophobicContact CG1-CE1 4.35Å; V215-Y223 HydrophobicContact CG1-CG 4.2Å; V215-Y223 HydrophobicContact CG2-CD1 4.41Å; V215-Y223 HydrophobicContact CG2-CG 4.4Å
216L96.9Very high96.8Very high40 Ų4065.8 Ų65.821%0.20933%0.331CS..EExtended strand (participates in β ladder)trans-92.5-36179.3-54.3-171.5000112.3V170 D174 L186 L224 N226V170-L216 HydrophobicContact CB-CD1 4.49Å; V170-L216 HydrophobicContact CG1-CD1 3.82Å; D174-L216 HydrophobicContact CB-CD1 3.89Å; D174-L216 HydrophobicContact CB-CD2 4.04Å; D174-L216 WeakPolarHBondContact OD1-CD2 3.35Å; L186-L216 HydrophobicContact CD2-CD1 3.65Å; L216-L224 HydrophobicContact CB-CD2 4.41Å; L216-L224 PolarHBondContact N-O 3.18Å; L216-N226 HydrophobicContact CD1-CB 4.11Å; L216-N226 HydrophobicContact CD2-CB 4.43Å; L216-N226 HydrophobicContact CG-CB 4.39Å
217S96.7Very high97Very high40 Ų4058.4 Ų58.428%0.2830%0.296SS..EExtended strand (participates in β ladder)trans-161.5169.7-177-163.70000111L224S217-L224 PolarHBondContact O-N 3.2Å
218E96.7Very high97Very high109 Ų10955 Ų5551%0.50928%0.28SS..EExtended strand (participates in β ladder)trans-141.4150.7174.570.2177.6154.200111.3K191 S222 Y223K191-E218 WeakPolarHBondContact CE-OE2 3.36Å; K191-E218 IonicContact NZ-OE2 2.94Å; K191-E218 PolarHBondContact NZ-OE2 3.08Å; E218-S222 WeakPolarHBondContact CA-O 3.4Å; E218-Y223 HydrophobicContact CB-CD1 3.59Å; E218-Y223 HydrophobicContact CB-CE1 3.73Å; E218-Y223 HydrophobicContact CG-CE1 4.46Å; E218-Y223 VanDerWaalsContact OE2-CE1 3.25Å; E218-Y223 WeakPolarHBondContact OE2-CE1 3.45Å
219D95.2Very high97.1Very high37 Ų3754.3 Ų54.320%0.19828%0.276CS..  trans-115-160.4163.667.422.6000110.3L161 K191 D221 S222L161-D219 WeakPolarHBondContact CB-OD2 3.25Å; L161-D219 HydrophobicContact CD1-CB 4.1Å; L161-D219 HydrophobicContact CG-CB 4.06Å; L161-D219 WeakPolarHBondContact CG-OD2 3.47Å; L161-D219 PolarHBondContact N-OD2 3.25Å; K191-D219 WeakPolarHBondContact CE-O 3.41Å; K191-D219 PolarHBondContact NZ-O 3.29Å; D219-D221 VanDerWaalsContact C-N 3.28Å; D219-D221 PolarHBondContact O-N 3.28Å; D219-D221 PolarHBondContact OD1-N 3.32Å; D219-S222 PolarHBondContact N-O 3.03Å; D219-S222 PolarHBondContact OD1-N 3.43Å
220Q95.4Very high97.1Very high168 Ų16856 Ų5679%0.78528%0.28SS*.SBendtrans-61.2-36.7-179.5-173.4171.1-3.700112.4
221D95.8Very high97.1Very high110 Ų11058.2 Ų58.259%0.58828%0.278SS*.SBendtrans-119.7-20.3-164.9-61-48.5000113.8K191 D219K191-D221 WeakPolarHBondContact CG-O 3.36Å; K191-D221 PolarHBondContact N-O 3.27Å; D219-D221 VanDerWaalsContact C-N 3.28Å; D219-D221 PolarHBondContact O-N 3.28Å; D219-D221 PolarHBondContact OD1-N 3.32Å
222S97.9Very high97.1Very high11 Ų1156.8 Ų56.88%0.07728%0.278CS..EExtended strand (participates in β ladder)trans-139.5155.8-170.5-57.20000113.9V188 V189 E218 D219V188-S222 VanDerWaalsContact CG1-CB 3.43Å; V189-S222 CarbonylContact O-C 3.53Å; V189-S222 WeakPolarHBondContact O-CA 3.26Å; E218-S222 WeakPolarHBondContact CA-O 3.4Å; D219-S222 PolarHBondContact N-O 3.03Å; D219-S222 PolarHBondContact OD1-N 3.43Å
223Y98.3Very high97.2Very high57 Ų5756.1 Ų56.122%0.22427%0.274CS..EExtended strand (participates in β ladder)trans-96.2146164.1-67-65.1000110.3V188 V189 K191 H194 V215 E218V188-Y223 CarbonylContact C-O 3.56Å; V188-Y223 WeakPolarHBondContact CA-O 3.23Å; V189-Y223 PolarHBondContact N-O 3.3Å; V189-Y223 PolarHBondContact O-N 2.97Å; K191-Y223 HydrophobicContact CB-CE2 4.16Å; K191-Y223 HydrophobicContact CD-CE2 4.36Å; K191-Y223 HydrophobicContact CG-CD2 3.93Å; K191-Y223 HydrophobicContact CG-CE2 3.64Å; H194-Y223 HydrophobicContact CB-CD2 3.9Å; H194-Y223 HydrophobicContact CB-CE2 4.01Å; H194-Y223 AromaticContact CD2-CD2 3.54Å; H194-Y223 AromaticContact CG-CD2 3.75Å; H194-Y223 AromaticContact CG-CE2 3.89Å; V215-Y223 HydrophobicContact CG1-CD1 3.59Å; V215-Y223 HydrophobicContact CG1-CE1 4.35Å; V215-Y223 HydrophobicContact CG1-CG 4.2Å; V215-Y223 HydrophobicContact CG2-CD1 4.41Å; V215-Y223 HydrophobicContact CG2-CG 4.4Å; E218-Y223 HydrophobicContact CB-CD1 3.59Å; E218-Y223 HydrophobicContact CB-CE1 3.73Å; E218-Y223 HydrophobicContact CG-CE1 4.46Å; E218-Y223 VanDerWaalsContact OE2-CE1 3.25Å; E218-Y223 WeakPolarHBondContact OE2-CE1 3.45Å
224L98.3Very high97.1Very high0 Ų056.4 Ų56.40%027%0.274CS..EExtended strand (participates in β ladder)trans-97.2116.2163.6-174.470000108.2L161 L166 I169 V170 L186 V188 L216 S217L161-L224 HydrophobicContact CD1-CB 3.97Å; L161-L224 HydrophobicContact CD2-CB 4.18Å; L161-L224 HydrophobicContact CD2-CD2 4.44Å; L166-L224 HydrophobicContact CD1-CD1 4.01Å; L166-L224 HydrophobicContact CD2-CD1 4.17Å; L166-L224 HydrophobicContact CD2-CD2 3.99Å; I169-L224 HydrophobicContact CG2-CD2 3.85Å; V170-L224 HydrophobicContact CG1-CD2 3.97Å; L186-L224 HydrophobicContact CB-CD1 4.17Å; V188-L224 HydrophobicContact CG2-CD1 3.94Å; L216-L224 HydrophobicContact CB-CD2 4.41Å; L216-L224 PolarHBondContact N-O 3.18Å; S217-L224 PolarHBondContact O-N 3.2Å
225C98.3Very high97.2Very high1 Ų157.5 Ų57.51%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-112.6146178.3-59.40000110.6L186 V187 V189 W197 N214L186-C225 CarbonylContact C-O 3.58Å; L186-C225 WeakPolarHBondContact CA-O 3.48Å; V187-C225 PolarHBondContact N-O 3.24Å; V187-C225 PolarHBondContact O-N 3.21Å; V189-C225 HydrophobicContact CG2-CB 4.42Å; W197-C225 HydrophobicContact CZ2-CB 4.14Å; N214-C225 WeakPolarHBondContact O-CA 3.47Å
226N97.9Very high97.2Very high10 Ų1057.3 Ų57.35%0.05328%0.277CS..EExtended strand (participates in β ladder)trans-90.3161.8163.164.1-8.5000111D174 T184 L185 L186 S213 N214 L216D174-N226 PolarHBondContact O-ND2 3.09Å; T184-N226 HydrophobicContact CG2-CB 3.78Å; L185-N226 CarbonylContact O-C 3.53Å; L185-N226 WeakPolarHBondContact O-CA 3.43Å; L186-N226 HydrophobicContact CD2-CB 4.19Å; S213-N226 WeakPolarHBondContact CA-O 3.44Å; S213-N226 WeakPolarHBondContact CB-O 3.38Å; S213-N226 PolarHBondContact OG-O 2.87Å; N214-N226 PolarHBondContact N-OD1 3.34Å; N214-N226 PolarHBondContact O-N 3.35Å; N214-N226 VanDerWaalsContact O-N 3.07Å; N214-N226 PolarHBondContact O-OD1 2.92Å; L216-N226 HydrophobicContact CD1-CB 4.11Å; L216-N226 HydrophobicContact CD2-CB 4.43Å; L216-N226 HydrophobicContact CG-CB 4.39Å
227V98.1Very high97.2Very high0 Ų055.4 Ų55.40%027%0.267CS..EExtended strand (participates in β ladder)trans-153.7135.7168.757.10000108.6T184 L185 V187 W197 Y201 V208 L229 F237T184-V227 CarbonylContact C-O 3.56Å; T184-V227 VanDerWaalsContact CA-O 3.29Å; T184-V227 WeakPolarHBondContact CA-O 3.48Å; L185-V227 HydrophobicContact CB-CG1 3.98Å; L185-V227 PolarHBondContact N-O 2.94Å; L185-V227 PolarHBondContact O-N 3.21Å; V187-V227 HydrophobicContact CG2-CG1 3.83Å; W197-V227 HydrophobicContact CH2-CB 4.25Å; W197-V227 HydrophobicContact CH2-CG1 4.15Å; W197-V227 HydrophobicContact CZ2-CB 4.18Å; W197-V227 HydrophobicContact CZ2-CG1 4.49Å; Y201-V227 HydrophobicContact CD2-CB 4.42Å; Y201-V227 HydrophobicContact CD2-CG2 3.65Å; Y201-V227 HydrophobicContact CE2-CG2 3.89Å; V208-V227 HydrophobicContact CG1-CG2 3.87Å; V227-L229 HydrophobicContact CG1-CD2 4.33Å; V227-F237 HydrophobicContact CB-CZ 4.45Å; V227-F237 HydrophobicContact CG1-CE1 3.77Å; V227-F237 HydrophobicContact CG1-CZ 3.75Å; V227-F237 HydrophobicContact CG2-CE2 4.36Å; V227-F237 HydrophobicContact CG2-CZ 4.13Å
228T98Very high97.3Very high11 Ų1157.6 Ų57.67%0.06727%0.269CS..EExtended strand (participates in β ladder)trans-106.7135.1177.3-58.70000110.4V176 L182 V183 T184 V209 S212V176-T228 HydrophobicContact CB-CG2 4.31Å; V176-T228 HydrophobicContact CG2-CG2 3.77Å; L182-T228 HydrophobicContact CB-CG2 4.21Å; L182-T228 HydrophobicContact CD1-CG2 4.48Å; V183-T228 WeakPolarHBondContact O-CA 3.31Å; T184-T228 PolarHBondContact OG1-OG1 2.91Å; V209-T228 VanDerWaalsContact CB-O 3.3Å; V209-T228 WeakPolarHBondContact CB-O 3.43Å; V209-T228 HydrophobicContact CG2-CG2 4.03Å; V209-T228 PolarHBondContact N-O 3.44Å; S212-T228 PolarHBondContact OG-N 3.33Å; S212-T228 PolarHBondContact OG-O 3.3Å
229L98.1Very high97.3Very high0 Ų057.7 Ų57.70%027%0.27CS..EExtended strand (participates in β ladder)trans-151168.5-179.762.2163.5000110.4L182 V183 L185 M207 V208 V227 A233 V234 F237L182-L229 WeakPolarHBondContact CA-O 3.41Å; V183-L229 PolarHBondContact N-O 3.08Å; V183-L229 PolarHBondContact O-N 3Å; L185-L229 HydrophobicContact CB-CD2 4.43Å; L185-L229 HydrophobicContact CD1-CD1 4.36Å; L185-L229 HydrophobicContact CD1-CD2 3.7Å; L185-L229 HydrophobicContact CG-CD2 3.78Å; M207-L229 WeakPolarHBondContact O-CA 3.36Å; M207-L229 WeakPolarHBondContact O-CB 3.13Å; V208-L229 HydrophobicContact CB-CB 4.47Å; V208-L229 HydrophobicContact CG2-CB 4.22Å; V227-L229 HydrophobicContact CG1-CD2 4.33Å; L229-A233 HydrophobicContact CD1-CB 4.06Å; L229-V234 HydrophobicContact CD1-CG2 4.44Å; L229-F237 HydrophobicContact CD1-CB 3.51Å; L229-F237 HydrophobicContact CD1-CD1 4.32Å; L229-F237 HydrophobicContact CD1-CD2 4.16Å; L229-F237 HydrophobicContact CD1-CG 3.74Å
230F98Very high97.4Very high83 Ų8358.9 Ų58.936%0.36427%0.273SS..EExtended strand (participates in β ladder)trans-70.4140173.1-74.3-110.6000110.3Y181 L182 M207 K232 A233Y181-F230 CarbonylContact O-C 3.5Å; Y181-F230 VanDerWaalsContact O-CA 3.27Å; Y181-F230 WeakPolarHBondContact O-CA 3.38Å; L182-F230 HydrophobicContact CD2-CD1 4.34Å; L182-F230 HydrophobicContact CD2-CD2 3.71Å; L182-F230 HydrophobicContact CD2-CE1 4.37Å; L182-F230 HydrophobicContact CD2-CE2 3.78Å; L182-F230 HydrophobicContact CD2-CG 4.03Å; L182-F230 HydrophobicContact CD2-CZ 4.12Å; M207-F230 HydrophobicContact CB-CB 3.76Å; M207-F230 HydrophobicContact CB-CD2 3.64Å; M207-F230 HydrophobicContact CB-CE2 4.47Å; M207-F230 HydrophobicContact CB-CG 3.89Å; M207-F230 HydrophobicContact CG-CB 4.48Å; M207-F230 HydrophobicContact CG-CD2 4.46Å; M207-F230 HydrophobicContact CG-CG 4.49Å; M207-F230 WeakPolarHBondContact O-CD2 3.34Å; M207-F230 PolarHBondContact O-N 2.87Å; M207-F230 HydrophobicContact SD-CB 4.01Å; M207-F230 HydrophobicContact SD-CG 4.27Å; F230-K232 PolarHBondContact O-N 3.49Å; F230-A233 WeakPolarHBondContact O-CB 3.14Å; F230-A233 PolarHBondContact O-N 3.27Å
231R95.9Very high97.6Very high124 Ų12450.9 Ų50.947%0.46824%0.236SC..G310 helixtrans-51.5-35.3179.3-71.8178.9-176.1-84.60.2113S179 E180 Y181 L182 V183 A233 V234S179-R231 PolarHBondContact O-NE 3.48Å; S179-R231 VanDerWaalsContact O-NE 3.12Å; S179-R231 PolarHBondContact O-NH2 3.39Å; E180-R231 WeakPolarHBondContact O-CD 3.36Å; Y181-R231 PolarHBondContact O-N 3.01Å; L182-R231 PolarHBondContact O-NE 3.37Å; V183-R231 HydrophobicContact CB-CG 3.94Å; V183-R231 HydrophobicContact CG1-CG 3.94Å; R231-A233 PolarHBondContact O-N 2.95Å; R231-V234 VanDerWaalsContact O-CG2 3.31Å; R231-V234 WeakPolarHBondContact O-CG2 3.3Å; R231-V234 PolarHBondContact O-N 3.25Å
232K96.4Very high97.6Very high191 Ų19155.4 Ų55.483%0.8324%0.244SC*.G310 helixtrans-63.6-22.3177.8-67.7-175.7178.6-179.20114M207 F230M207-K232 HydrophobicContact CE-CB 3.97Å; F230-K232 PolarHBondContact O-N 3.49Å
233A97.1Very high97.5Very high4 Ų461.1 Ų61.13%0.03327%0.27CS..G310 helixtrans-97.2-0.7-178.100000113.8A205 E206 M207 L229 F230 R231 D235 D236 F237A205-A233 HydrophobicContact CB-CB 4.37Å; E206-A233 WeakPolarHBondContact O-CB 3.48Å; M207-A233 HydrophobicContact CB-CB 4.24Å; M207-A233 HydrophobicContact CE-CB 3.87Å; L229-A233 HydrophobicContact CD1-CB 4.06Å; F230-A233 WeakPolarHBondContact O-CB 3.14Å; F230-A233 PolarHBondContact O-N 3.27Å; R231-A233 PolarHBondContact O-N 2.95Å; A233-D235 PolarHBondContact O-N 3.47Å; A233-D236 PolarHBondContact O-N 2.86Å; A233-F237 VanDerWaalsContact O-CB 3.23Å; A233-F237 WeakPolarHBondContact O-CB 3.41Å; A233-F237 PolarHBondContact O-N 3.24Å
234V97Very high97.4Very high20 Ų2060.9 Ų60.912%0.12127%0.273CS..Hα-helixtrans-59.5-45.2-173.31700000112.7V183 L185 L229 R231 F237 R238V183-V234 HydrophobicContact CG1-CG2 3.45Å; V183-V234 VanDerWaalsContact CG1-CG2 3.45Å; L185-V234 HydrophobicContact CD1-CG1 4.23Å; L185-V234 HydrophobicContact CD1-CG2 4.49Å; L185-V234 HydrophobicContact CD2-CG1 4.38Å; L229-V234 HydrophobicContact CD1-CG2 4.44Å; R231-V234 VanDerWaalsContact O-CG2 3.31Å; R231-V234 WeakPolarHBondContact O-CG2 3.3Å; R231-V234 PolarHBondContact O-N 3.25Å; V234-F237 PolarHBondContact O-N 3.46Å; V234-R238 HydrophobicContact CG1-CG 4.4Å; V234-R238 WeakPolarHBondContact O-CB 3.46Å; V234-R238 VanDerWaalsContact O-CG 3.3Å; V234-R238 WeakPolarHBondContact O-CG 3.3Å; V234-R238 PolarHBondContact O-N 2.82Å
235D97Very high97.3Very high124 Ų12468.1 Ų68.166%0.66330%0.304SS*.Hα-helixtrans-71.4-41.4-176.1-67.3-30.4000112.1A233 R238 H239A233-D235 PolarHBondContact O-N 3.47Å; D235-R238 PolarHBondContact O-N 3.47Å; D235-H239 WeakPolarHBondContact O-CB 3.48Å; D235-H239 PolarHBondContact O-N 3.19Å
236D97.7Very high97.3Very high64 Ų6468.1 Ų68.134%0.34230%0.304SS..Hα-helixtrans-62.8-44.3174-175.948.8000111A205 A233 H239 K240A205-D236 WeakPolarHBondContact CA-OD2 3.39Å; A205-D236 HydrophobicContact CB-CB 4.3Å; A205-D236 VanDerWaalsContact CB-OD2 3.3Å; A205-D236 WeakPolarHBondContact CB-OD2 3.33Å; A233-D236 PolarHBondContact O-N 2.86Å; D236-H239 PolarHBondContact O-N 3.44Å; D236-K240 PolarHBondContact O-N 3.49Å; D236-K240 WeakPolarHBondContact OD1-CE 3.4Å; D236-K240 IonicContact OD1-NZ 3.68Å; D236-K240 PolarHBondContact OD1-NZ 2.96Å; D236-K240 IonicContact OD2-NZ 2.71Å; D236-K240 PolarHBondContact OD2-NZ 2.81Å
237F98.3Very high97.3Very high0 Ų071.7 Ų71.70%032%0.322CS..Hα-helixtrans-61.6-46.4175.7-173.6-91.1000111.9L185 V187 W197 L204 A205 V208 V227 L229 A233 V234 H239 K240 A241 V248L185-F237 HydrophobicContact CD1-CD1 3.88Å; L185-F237 HydrophobicContact CD1-CE1 4.41Å; V187-F237 HydrophobicContact CG2-CE1 4.19Å; W197-F237 HydrophobicContact CH2-CE1 4.41Å; W197-F237 AromaticContact CH2-CZ 3.77Å; W197-F237 HydrophobicContact CH2-CZ 3.77Å; W197-F237 HydrophobicContact CZ3-CZ 4.02Å; L204-F237 HydrophobicContact CB-CD2 3.98Å; L204-F237 HydrophobicContact CB-CE2 3.94Å; L204-F237 HydrophobicContact CD1-CD2 4.45Å; L204-F237 HydrophobicContact CD1-CE2 3.79Å; L204-F237 HydrophobicContact CD1-CZ 4.01Å; L204-F237 HydrophobicContact CG-CE2 4.43Å; A205-F237 HydrophobicContact CB-CB 3.85Å; A205-F237 HydrophobicContact CB-CD2 4.13Å; V208-F237 HydrophobicContact CG2-CD2 3.7Å; V208-F237 HydrophobicContact CG2-CE2 3.98Å; V227-F237 HydrophobicContact CB-CZ 4.45Å; V227-F237 HydrophobicContact CG1-CE1 3.77Å; V227-F237 HydrophobicContact CG1-CZ 3.75Å; V227-F237 HydrophobicContact CG2-CE2 4.36Å; V227-F237 HydrophobicContact CG2-CZ 4.13Å; L229-F237 HydrophobicContact CD1-CB 3.51Å; L229-F237 HydrophobicContact CD1-CD1 4.32Å; L229-F237 HydrophobicContact CD1-CD2 4.16Å; L229-F237 HydrophobicContact CD1-CG 3.74Å; A233-F237 VanDerWaalsContact O-CB 3.23Å; A233-F237 WeakPolarHBondContact O-CB 3.41Å; A233-F237 PolarHBondContact O-N 3.24Å; V234-F237 PolarHBondContact O-N 3.46Å; F237-H239 VanDerWaalsContact C-N 3.3Å; F237-H239 PolarHBondContact O-N 2.97Å; F237-K240 PolarHBondContact O-N 3.22Å; F237-A241 HydrophobicContact CD1-CB 4.45Å; F237-A241 HydrophobicContact CE1-CB 4.24Å; F237-A241 WeakPolarHBondContact O-CB 3.1Å; F237-A241 PolarHBondContact O-N 3.38Å; F237-V248 HydrophobicContact CD1-CG2 4.3Å; F237-V248 HydrophobicContact CE1-CG2 4.19Å
238R97.7Very high97.3Very high85 Ų8572.9 Ų72.932%0.32133%0.329SS..Hα-helixtrans-58.9-41.6176.6-82.1176.6167.8-179.4-8.5111.7V234 D235 R242 V248 D250V234-R238 HydrophobicContact CG1-CG 4.4Å; V234-R238 WeakPolarHBondContact O-CB 3.46Å; V234-R238 VanDerWaalsContact O-CG 3.3Å; V234-R238 WeakPolarHBondContact O-CG 3.3Å; V234-R238 PolarHBondContact O-N 2.82Å; D235-R238 PolarHBondContact O-N 3.47Å; R238-R242 WeakPolarHBondContact O-CB 3.33Å; R238-R242 PolarHBondContact O-N 3.43Å; R238-R242 VanDerWaalsContact O-N 3.16Å; R238-V248 HydrophobicContact CG-CB 4.01Å; R238-V248 HydrophobicContact CG-CG1 3.95Å; R238-V248 HydrophobicContact CG-CG2 4.05Å; R238-D250 IonicContact NH2-OD1 2.73Å; R238-D250 PolarHBondContact NH2-OD1 2.8Å
239H97.4Very high97.2Very high112 Ų11275 Ų7552%0.51934%0.336SS..Hα-helixtrans-62.8-53.3178.2-175.467.4000111.6D235 D236 F237 R242 E243D235-H239 WeakPolarHBondContact O-CB 3.48Å; D235-H239 PolarHBondContact O-N 3.19Å; D236-H239 PolarHBondContact O-N 3.44Å; F237-H239 VanDerWaalsContact C-N 3.3Å; F237-H239 PolarHBondContact O-N 2.97Å; H239-R242 WeakPolarHBondContact O-CB 3.32Å; H239-R242 PolarHBondContact O-N 3.01Å; H239-E243 IonicContact NE2-OE1 3.71Å; H239-E243 PolarHBondContact O-N 2.98Å; H239-E243 VanDerWaalsContact O-N 3.14Å
240K98Very high97Very high62 Ų6281.5 Ų81.527%0.2737%0.371SS..Hα-helixtrans-73-31.9-177-66.3174.4179.8161.30113.6L204 D236 F237 R242 E243 N244L204-K240 HydrophobicContact CB-CB 4.34Å; L204-K240 HydrophobicContact CD2-CB 4.29Å; L204-K240 WeakPolarHBondContact O-CD 3.34Å; L204-K240 WeakPolarHBondContact O-CE 3.46Å; L204-K240 PolarHBondContact O-NZ 3.47Å; D236-K240 PolarHBondContact O-N 3.49Å; D236-K240 WeakPolarHBondContact OD1-CE 3.4Å; D236-K240 IonicContact OD1-NZ 3.68Å; D236-K240 PolarHBondContact OD1-NZ 2.96Å; D236-K240 IonicContact OD2-NZ 2.71Å; D236-K240 PolarHBondContact OD2-NZ 2.81Å; F237-K240 PolarHBondContact O-N 3.22Å; K240-R242 VanDerWaalsContact C-N 3.29Å; K240-R242 PolarHBondContact O-N 2.96Å; K240-E243 PolarHBondContact O-N 3.37Å; K240-N244 PolarHBondContact O-N 3.48Å; K240-N244 PolarHBondContact O-ND2 3.17Å
241A97.7Very high96.8Very high0 Ų079.4 Ų79.40%036%0.362CS..Hα-helixtrans-58.4-44.8169.800000110.4L204 F237 E243 N244 K245 F246 V248L204-A241 HydrophobicContact CD1-CB 4.34Å; F237-A241 HydrophobicContact CD1-CB 4.45Å; F237-A241 HydrophobicContact CE1-CB 4.24Å; F237-A241 WeakPolarHBondContact O-CB 3.1Å; F237-A241 PolarHBondContact O-N 3.38Å; A241-E243 PolarHBondContact O-N 3.2Å; A241-N244 CarbonylContact O-C 3.59Å; A241-N244 PolarHBondContact O-N 3.47Å; A241-N244 VanDerWaalsContact O-N 3.14Å; A241-K245 PolarHBondContact O-N 2.81Å; A241-F246 CarbonylContact C-O 3.57Å; A241-F246 VanDerWaalsContact C-O 3.24Å; A241-F246 HydrophobicContact CB-CB 4.15Å; A241-F246 WeakPolarHBondContact O-CA 3.35Å; A241-F246 WeakPolarHBondContact O-CB 3.23Å; A241-F246 PolarHBondContact O-N 3.43Å; A241-F246 VanDerWaalsContact O-O 3.11Å; A241-V248 HydrophobicContact CB-CG2 3.79Å
242R96.2Very high96.5Very high205 Ų20581.3 Ų81.377%0.77438%0.376SS*.Hα-helixtrans-63.4-40.5177.8-175.1-178.7177.8-176.6-0.9112.7R238 H239 K240 N244 K245 F246R238-R242 WeakPolarHBondContact O-CB 3.33Å; R238-R242 PolarHBondContact O-N 3.43Å; R238-R242 VanDerWaalsContact O-N 3.16Å; H239-R242 WeakPolarHBondContact O-CB 3.32Å; H239-R242 PolarHBondContact O-N 3.01Å; K240-R242 VanDerWaalsContact C-N 3.29Å; K240-R242 PolarHBondContact O-N 2.96Å; R242-N244 PolarHBondContact O-N 3.1Å; R242-K245 PolarHBondContact O-N 2.78Å; R242-F246 PolarHBondContact N-O 3.29Å
243E96.5Very high96.3Very high130 Ų13073.8 Ų73.861%0.60734%0.342SS*.Hα-helixtrans-59.9-33.9174.6-68-176.2145.700112.3H239 K240 A241 K245H239-E243 IonicContact NE2-OE1 3.71Å; H239-E243 PolarHBondContact O-N 2.98Å; H239-E243 VanDerWaalsContact O-N 3.14Å; K240-E243 PolarHBondContact O-N 3.37Å; A241-E243 PolarHBondContact O-N 3.2Å; E243-K245 VanDerWaalsContact C-N 3.27Å; E243-K245 PolarHBondContact O-N 2.64Å
244N96.1Very high96Very high53 Ų5376.5 Ų76.528%0.28336%0.357SS..THydrogen-bonded Turntrans-87.912.9176.1-72.5-84.3000113.7Q200 K240 A241 R242 F246Q200-N244 PolarHBondContact NE2-OD1 3.15Å; K240-N244 PolarHBondContact O-N 3.48Å; K240-N244 PolarHBondContact O-ND2 3.17Å; A241-N244 CarbonylContact O-C 3.59Å; A241-N244 PolarHBondContact O-N 3.47Å; A241-N244 VanDerWaalsContact O-N 3.14Å; R242-N244 PolarHBondContact O-N 3.1Å; N244-F246 HydrophobicContact CB-CD2 3.62Å; N244-F246 HydrophobicContact CB-CE2 3.49Å; N244-F246 VanDerWaalsContact CB-CE2 3.49Å; N244-F246 HydrophobicContact CB-CG 4.35Å; N244-F246 HydrophobicContact CB-CZ 4.11Å; N244-F246 PolarHBondContact O-N 2.87Å
245K96.1Very high95.6Very high151 Ų15180.1 Ų80.166%0.65737%0.372SS*.THydrogen-bonded Turntrans60.821.9-179-52.2177.9-179.7176.30114.3A241 R242 E243A241-K245 PolarHBondContact O-N 2.81Å; R242-K245 PolarHBondContact O-N 2.78Å; E243-K245 VanDerWaalsContact C-N 3.27Å; E243-K245 PolarHBondContact O-N 2.64Å
246F98Very high95.3Very high2 Ų281.9 Ų81.91%0.00938%0.376CS..  trans-91129.2169-49-44.2000109.2V187 V189 N193 D196 W197 Q200 L204 A241 R242 N244V187-F246 HydrophobicContact CG1-CB 3.72Å; V189-F246 HydrophobicContact CB-CD1 4.44Å; V189-F246 HydrophobicContact CG1-CD1 3.95Å; V189-F246 HydrophobicContact CG1-CE1 3.93Å; V189-F246 HydrophobicContact CG2-CD1 4.21Å; N193-F246 HydrophobicContact CB-CE1 3.89Å; D196-F246 HydrophobicContact CB-CZ 4.25Å; W197-F246 HydrophobicContact CB-CE1 4.03Å; W197-F246 HydrophobicContact CB-CE2 4.48Å; W197-F246 HydrophobicContact CB-CZ 3.9Å; W197-F246 HydrophobicContact CE3-CB 4.42Å; W197-F246 HydrophobicContact CE3-CD1 4.31Å; W197-F246 AromaticContact CE3-CD2 3.56Å; W197-F246 HydrophobicContact CE3-CD2 3.56Å; W197-F246 HydrophobicContact CE3-CE1 4.48Å; W197-F246 AromaticContact CE3-CE2 3.76Å; W197-F246 HydrophobicContact CE3-CE2 3.76Å; W197-F246 AromaticContact CE3-CG 3.86Å; W197-F246 HydrophobicContact CE3-CG 3.86Å; W197-F246 HydrophobicContact CE3-CZ 4.24Å; W197-F246 HydrophobicContact CZ3-CB 4.39Å; W197-F246 AromaticContact CZ3-CD2 3.94Å; W197-F246 HydrophobicContact CZ3-CD2 3.94Å; W197-F246 HydrophobicContact CZ3-CE2 4.49Å; W197-F246 HydrophobicContact CZ3-CG 4.26Å; Q200-F246 HydrophobicContact CG-CE2 4.37Å; L204-F246 HydrophobicContact CD1-CD2 4.21Å; L204-F246 HydrophobicContact CD1-CE2 4.46Å; A241-F246 CarbonylContact C-O 3.57Å; A241-F246 VanDerWaalsContact C-O 3.24Å; A241-F246 HydrophobicContact CB-CB 4.15Å; A241-F246 WeakPolarHBondContact O-CA 3.35Å; A241-F246 WeakPolarHBondContact O-CB 3.23Å; A241-F246 PolarHBondContact O-N 3.43Å; A241-F246 VanDerWaalsContact O-O 3.11Å; R242-F246 PolarHBondContact N-O 3.29Å; N244-F246 HydrophobicContact CB-CD2 3.62Å; N244-F246 HydrophobicContact CB-CE2 3.49Å; N244-F246 VanDerWaalsContact CB-CE2 3.49Å; N244-F246 HydrophobicContact CB-CG 4.35Å; N244-F246 HydrophobicContact CB-CZ 4.11Å; N244-F246 PolarHBondContact O-N 2.87Å
247I97.6Very high94.9Very high84 Ų8484.2 Ų84.243%0.43139%0.385SS..EExtended strand (participates in β ladder)trans-103.9104.2-173.6-63.2172.8000108.8L162 V187 V188 R249L162-I247 HydrophobicContact CD1-CD1 4.39Å; L162-I247 HydrophobicContact CD2-CB 3.88Å; L162-I247 HydrophobicContact CD2-CD1 3.48Å; L162-I247 VanDerWaalsContact CD2-CD1 3.48Å; L162-I247 HydrophobicContact CD2-CG1 4.23Å; L162-I247 HydrophobicContact CD2-CG2 3.9Å; V187-I247 WeakPolarHBondContact CA-O 3.46Å; V188-I247 HydrophobicContact CB-CB 4.42Å; V188-I247 PolarHBondContact N-O 3.47Å; V188-I247 PolarHBondContact O-N 2.61Å; I247-R249 PolarHBondContact O-N 3.45Å
248V97.9Very high94.4Very high26 Ų2685.8 Ų85.816%0.15839%0.393CS..EExtended strand (participates in β ladder)trans-69.6121.8171.8-174.50000108.9L185 L186 V187 F237 R238 A241L185-V248 HydrophobicContact CB-CG1 4.11Å; L185-V248 HydrophobicContact CD1-CG1 4.03Å; L185-V248 HydrophobicContact CG-CG1 4.46Å; L186-V248 CarbonylContact O-C 3.55Å; L186-V248 WeakPolarHBondContact O-CA 3.47Å; V187-V248 HydrophobicContact CG2-CG2 4.12Å; F237-V248 HydrophobicContact CD1-CG2 4.3Å; F237-V248 HydrophobicContact CE1-CG2 4.19Å; R238-V248 HydrophobicContact CG-CB 4.01Å; R238-V248 HydrophobicContact CG-CG1 3.95Å; R238-V248 HydrophobicContact CG-CG2 4.05Å; A241-V248 HydrophobicContact CB-CG2 3.79Å
249R97Very high94Very high55 Ų5587.9 Ų87.921%0.20840%0.404CS..EExtended strand (participates in β ladder)trans-80.8137.5177.3-67.2-75-68.6137-0.3109.5L161 L162 R164 L166 L186 V188 I247 F251L161-R249 PolarHBondContact O-NE 2.96Å; L161-R249 VanDerWaalsContact O-NE 3.15Å; L162-R249 PolarHBondContact O-NE 3.37Å; L162-R249 PolarHBondContact O-NH1 3.46Å; R164-R249 PolarHBondContact O-NH2 3.41Å; L166-R249 HydrophobicContact CD1-CB 3.69Å; L166-R249 HydrophobicContact CD1-CG 3.81Å; L186-R249 HydrophobicContact CB-CB 4.35Å; L186-R249 PolarHBondContact O-N 2.91Å; V188-R249 HydrophobicContact CG2-CG 3.59Å; I247-R249 PolarHBondContact O-N 3.45Å; R249-F251 VanDerWaalsContact C-N 3.34Å; R249-F251 PolarHBondContact O-N 2.94Å; R249-F251 VanDerWaalsContact O-N 3.09Å
250D93Very high93.6Very high137 Ų13785 Ų8573%0.73340%0.399SS*.  trans-80.788.8171.9-160.832.9000108.4R238R238-D250 IonicContact NH2-OD1 2.73Å; R238-D250 PolarHBondContact NH2-OD1 2.8Å
251F94.1Very high93.2Very high38 Ų3885.2 Ų85.217%0.16740%0.404CS..  trans-139.5129.8-176.8-178.9-89.7000109.3L166 A167 V170 F175 L186 R249 Y253 M258L166-F251 HydrophobicContact CB-CD2 3.85Å; L166-F251 HydrophobicContact CB-CE2 3.97Å; L166-F251 HydrophobicContact CB-CG 4.31Å; L166-F251 HydrophobicContact CD1-CB 4.23Å; L166-F251 HydrophobicContact CD1-CG 4.4Å; A167-F251 HydrophobicContact CB-CE2 4.38Å; V170-F251 HydrophobicContact CG2-CE1 3.75Å; V170-F251 HydrophobicContact CG2-CZ 3.74Å; F175-F251 HydrophobicContact CE1-CD1 4.02Å; F175-F251 HydrophobicContact CE1-CE1 4.04Å; F175-F251 HydrophobicContact CE2-CE1 4.37Å; F175-F251 AromaticContact CZ-CD1 3.91Å; F175-F251 HydrophobicContact CZ-CD1 3.91Å; F175-F251 AromaticContact CZ-CE1 3.56Å; F175-F251 HydrophobicContact CZ-CE1 3.56Å; L186-F251 HydrophobicContact CD1-CB 4.01Å; L186-F251 HydrophobicContact CD1-CD1 3.43Å; L186-F251 VanDerWaalsContact CD1-CD1 3.43Å; L186-F251 HydrophobicContact CD1-CE1 4.06Å; L186-F251 HydrophobicContact CD1-CG 3.78Å; L186-F251 HydrophobicContact CG-CD1 4.28Å; R249-F251 VanDerWaalsContact C-N 3.34Å; R249-F251 PolarHBondContact O-N 2.94Å; R249-F251 VanDerWaalsContact O-N 3.09Å; F251-Y253 HydrophobicContact CE1-CD2 4.41Å; F251-M258 HydrophobicContact CZ-SD 4.07Å
252Q90Very high92.8Very high165 Ų16591.2 Ų91.277%0.77143%0.43SS*.  trans-118.1124.8172-175.3171.59.900108.1N254Q252-N254 PolarHBondContact O-N 3.33Å
253Y91.9Very high92.6Very high32 Ų3286.8 Ų86.813%0.12542%0.418CS..  trans-67.1120.4176.6-174.1-91.2000109.9V170 K172 F175 L177 F251 E255 M258V170-Y253 HydrophobicContact CG2-CD2 4.17Å; V170-Y253 HydrophobicContact CG2-CE2 4.5Å; K172-Y253 VanDerWaalsContact CA-CZ 3.48Å; K172-Y253 WeakPolarHBondContact CA-OH 3.47Å; K172-Y253 HydrophobicContact CB-CE1 4.16Å; K172-Y253 WeakPolarHBondContact CB-OH 3.48Å; K172-Y253 HydrophobicContact CG-CE1 3.98Å; K172-Y253 PolarHBondContact N-OH 2.67Å; F175-Y253 AromaticContact CD2-CD2 3.54Å; F175-Y253 HydrophobicContact CD2-CD2 3.54Å; F175-Y253 HydrophobicContact CD2-CE2 4.3Å; F175-Y253 AromaticContact CD2-CG 3.72Å; F175-Y253 HydrophobicContact CD2-CG 3.72Å; F175-Y253 AromaticContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CE2 4.2Å; F175-Y253 AromaticContact CE2-CG 3.91Å; F175-Y253 HydrophobicContact CE2-CG 3.91Å; F175-Y253 HydrophobicContact CG-CD2 4.38Å; F175-Y253 HydrophobicContact CG-CG 4.14Å; F175-Y253 HydrophobicContact CZ-CD2 4.09Å; F175-Y253 HydrophobicContact CZ-CG 4.47Å; L177-Y253 HydrophobicContact CD1-CD1 3.86Å; L177-Y253 HydrophobicContact CD1-CE1 3.97Å; L177-Y253 HydrophobicContact CD2-CD1 3.8Å; L177-Y253 HydrophobicContact CD2-CG 4.33Å; L177-Y253 HydrophobicContact CG-CD1 4.48Å; F251-Y253 HydrophobicContact CE1-CD2 4.41Å; Y253-E255 HydrophobicContact CE1-CB 3.89Å; Y253-M258 HydrophobicContact CD2-CE 4.31Å; Y253-M258 HydrophobicContact CD2-SD 3.73Å; Y253-M258 HydrophobicContact CE2-CE 3.76Å; Y253-M258 HydrophobicContact CE2-SD 3.65Å; Y253-M258 HydrophobicContact CG-SD 4.46Å
254N91.1Very high92.3Very high62 Ų6283.2 Ų83.233%0.33240%0.401SS..  trans-135.1101.3176-177.8-13.1000108.8Q252 E256 E257 M258Q252-N254 PolarHBondContact O-N 3.33Å; N254-E256 VanDerWaalsContact C-N 3.27Å; N254-E256 PolarHBondContact O-N 3.42Å; N254-E256 PolarHBondContact OD1-N 2.96Å; N254-E257 HydrophobicContact CB-CB 3.96Å; N254-E257 WeakPolarHBondContact ND2-CB 3.32Å; N254-E257 PolarHBondContact ND2-OE2 3.37Å; N254-E257 PolarHBondContact O-N 2.88Å; N254-E257 PolarHBondContact OD1-N 3.16Å; N254-M258 WeakPolarHBondContact O-CB 3.49Å; N254-M258 WeakPolarHBondContact O-CG 3.49Å; N254-M258 PolarHBondContact O-N 3.14Å
255E89.1Confident92.1Very high95 Ų9582.6 Ų82.644%0.44440%0.397SS..Hα-helixtrans-60.8-36.1-175.4-169.6165.9-16200112.6K172 Y253 K259K172-E255 IonicContact NZ-OE2 2.75Å; K172-E255 PolarHBondContact NZ-OE2 3.47Å; Y253-E255 HydrophobicContact CE1-CB 3.89Å; E255-K259 WeakPolarHBondContact O-CB 3.25Å; E255-K259 PolarHBondContact O-N 2.93Å
256E90Very high92Very high162 Ų16279.4 Ų79.476%0.75739%0.387SS*.Hα-helixtrans-70.4-46.5-179.4-63.7-173.5165.800111.7N254 K259 A260N254-E256 VanDerWaalsContact C-N 3.27Å; N254-E256 PolarHBondContact O-N 3.42Å; N254-E256 PolarHBondContact OD1-N 2.96Å; E256-K259 PolarHBondContact O-N 3.49Å; E256-A260 WeakPolarHBondContact O-CB 3.35Å; E256-A260 PolarHBondContact O-N 3.37Å
257E88.2Confident91.8Very high113 Ų11385.9 Ų85.953%0.52841%0.412SS..Hα-helixtrans-64.6-44.4178.1-175.9177179.700111.4N254 K259 A260 D261N254-E257 HydrophobicContact CB-CB 3.96Å; N254-E257 WeakPolarHBondContact ND2-CB 3.32Å; N254-E257 PolarHBondContact ND2-OE2 3.37Å; N254-E257 PolarHBondContact O-N 2.88Å; N254-E257 PolarHBondContact OD1-N 3.16Å; E257-K259 VanDerWaalsContact C-N 3.32Å; E257-K259 PolarHBondContact O-N 3.07Å; E257-A260 PolarHBondContact O-N 3.39Å; E257-D261 PolarHBondContact O-N 2.91Å
258M88.2Confident91.7Very high33 Ų3382.5 Ų82.516%0.16339%0.394CS..Hα-helixtrans-62.7-40177.5-69.7175.648.300112.1A167 F251 Y253 N254 K262A167-M258 HydrophobicContact CB-CE 4.16Å; A167-M258 HydrophobicContact CB-CG 3.76Å; A167-M258 HydrophobicContact CB-SD 4.26Å; A167-M258 WeakPolarHBondContact O-CE 3.34Å; F251-M258 HydrophobicContact CZ-SD 4.07Å; Y253-M258 HydrophobicContact CD2-CE 4.31Å; Y253-M258 HydrophobicContact CD2-SD 3.73Å; Y253-M258 HydrophobicContact CE2-CE 3.76Å; Y253-M258 HydrophobicContact CE2-SD 3.65Å; Y253-M258 HydrophobicContact CG-SD 4.46Å; N254-M258 WeakPolarHBondContact O-CB 3.49Å; N254-M258 WeakPolarHBondContact O-CG 3.49Å; N254-M258 PolarHBondContact O-N 3.14Å; M258-K262 WeakPolarHBondContact O-CB 3.44Å; M258-K262 PolarHBondContact O-N 2.86Å
259K90.3Very high91.5Very high129 Ų12983 Ų8356%0.56140%0.399SS*.Hα-helixtrans-66.4-44.3175-177179.5171.5-174.30111.1E255 E256 E257 K262 E263E255-K259 WeakPolarHBondContact O-CB 3.25Å; E255-K259 PolarHBondContact O-N 2.93Å; E256-K259 PolarHBondContact O-N 3.49Å; E257-K259 VanDerWaalsContact C-N 3.32Å; E257-K259 PolarHBondContact O-N 3.07Å; K259-K262 PolarHBondContact O-N 2.92Å; K259-E263 WeakPolarHBondContact CE-OE1 3.32Å; K259-E263 HydrophobicContact CG-CG 4.43Å; K259-E263 IonicContact NZ-OE1 3.98Å; K259-E263 WeakPolarHBondContact O-CB 3.18Å; K259-E263 WeakPolarHBondContact O-CG 3.41Å; K259-E263 PolarHBondContact O-N 3.42Å
260A89.6Confident91.5Very high50 Ų5083.4 Ų83.441%0.41341%0.408SS..Hα-helixtrans-61.2-45.4178.500000112.1E256 E257 K262 E263 E264E256-A260 WeakPolarHBondContact O-CB 3.35Å; E256-A260 PolarHBondContact O-N 3.37Å; E257-A260 PolarHBondContact O-N 3.39Å; A260-K262 VanDerWaalsContact C-N 3.34Å; A260-K262 PolarHBondContact O-N 3.33Å; A260-E263 PolarHBondContact O-N 2.81Å; A260-E264 WeakPolarHBondContact O-CB 3.49Å; A260-E264 PolarHBondContact O-N 3.44Å
261D87.8Confident91.6Very high67 Ų6779.6 Ų79.636%0.35839%0.387SS..Hα-helixtrans-61-42.4176.7-87.4-3.3000112E257 E264 M265E257-D261 PolarHBondContact O-N 2.91Å; D261-E264 PolarHBondContact O-N 3.35Å; D261-M265 WeakPolarHBondContact O-CB 3.46Å; D261-M265 PolarHBondContact O-N 3.43Å
262K89.1Confident91.7Very high127 Ų12780.6 Ų80.655%0.55239%0.391SS*.Hα-helixtrans-67.5-42.2177.7-174.9174.4-177.7174.40112.1M258 K259 A260 E264 N266M258-K262 WeakPolarHBondContact O-CB 3.44Å; M258-K262 PolarHBondContact O-N 2.86Å; K259-K262 PolarHBondContact O-N 2.92Å; A260-K262 VanDerWaalsContact C-N 3.34Å; A260-K262 PolarHBondContact O-N 3.33Å; K262-E264 VanDerWaalsContact C-N 3.33Å; K262-N266 WeakPolarHBondContact O-CB 3.46Å; K262-N266 VanDerWaalsContact O-CG 3.26Å; K262-N266 PolarHBondContact O-N 3.07Å; K262-N266 PolarHBondContact O-ND2 3.01Å; K262-N266 VanDerWaalsContact O-ND2 3.1Å
263E92.3Very high91.9Very high111 Ų11180.3 Ų80.352%0.51939%0.388SS..Hα-helixtrans-62.2-42.2174.5-75.9178.3178.800111.1K259 A260 N266 R267K259-E263 WeakPolarHBondContact CE-OE1 3.32Å; K259-E263 HydrophobicContact CG-CG 4.43Å; K259-E263 IonicContact NZ-OE1 3.98Å; K259-E263 WeakPolarHBondContact O-CB 3.18Å; K259-E263 WeakPolarHBondContact O-CG 3.41Å; K259-E263 PolarHBondContact O-N 3.42Å; A260-E263 PolarHBondContact O-N 2.81Å; E263-N266 PolarHBondContact O-N 3.41Å; E263-R267 VanDerWaalsContact O-CB 3.31Å; E263-R267 WeakPolarHBondContact O-CB 3.45Å; E263-R267 PolarHBondContact O-N 2.98Å
264E91.7Very high92.1Very high55 Ų5585.2 Ų85.226%0.25741%0.41SS..Hα-helixtrans-63.1-47.9176.9-176.258.9-160.800112L153 A260 D261 K262 N266 R267 L268L153-E264 HydrophobicContact CD1-CG 4.09Å; A260-E264 WeakPolarHBondContact O-CB 3.49Å; A260-E264 PolarHBondContact O-N 3.44Å; D261-E264 PolarHBondContact O-N 3.35Å; K262-E264 VanDerWaalsContact C-N 3.33Å; E264-N266 VanDerWaalsContact C-N 3.33Å; E264-N266 PolarHBondContact O-N 3.21Å; E264-R267 WeakPolarHBondContact O-CB 3.31Å; E264-R267 PolarHBondContact O-N 3.47Å; E264-R267 IonicContact OE1-CZ 2.72Å; E264-R267 IonicContact OE1-NE 2.88Å; E264-R267 IonicContact OE1-NH2 2.99Å; E264-R267 PolarHBondContact OE1-NH2 3.45Å; E264-R267 IonicContact OE2-CZ 2.75Å; E264-R267 IonicContact OE2-NE 3.25Å; E264-R267 PolarHBondContact OE2-NE 3.13Å; E264-R267 IonicContact OE2-NH1 3.04Å; E264-R267 IonicContact OE2-NH2 2.76Å; E264-R267 PolarHBondContact OE2-NH2 3.03Å; E264-L268 HydrophobicContact CG-CD1 4.02Å; E264-L268 HydrophobicContact CG-CG 4.42Å; E264-L268 WeakPolarHBondContact O-CG 3.25Å; E264-L268 PolarHBondContact O-N 3.49Å; E264-L268 WeakPolarHBondContact OE1-CG 3.42Å
265M90.7Very high92.3Very high40 Ų4087.3 Ų87.320%0.19742%0.418CS..Hα-helixtrans-59.5-44.5177-177.3177.160.300111.6L150 L153 E168 D261 R267 L268 S269L150-M265 HydrophobicContact CD1-CG 4.19Å; L153-M265 HydrophobicContact CD1-CB 4.18Å; E168-M265 WeakPolarHBondContact OE1-CE 3.32Å; D261-M265 WeakPolarHBondContact O-CB 3.46Å; D261-M265 PolarHBondContact O-N 3.43Å; M265-R267 VanDerWaalsContact C-N 3.35Å; M265-L268 PolarHBondContact O-N 3.5Å; M265-S269 VanDerWaalsContact O-CB 3.27Å; M265-S269 WeakPolarHBondContact O-CB 3.07Å; M265-S269 PolarHBondContact O-N 3.29Å
266N93.4Very high92.7Very high84 Ų8486.6 Ų86.645%0.44941%0.413SS..Hα-helixtrans-64.1-40.3177.2-74.8-31.9000112K262 E263 E264 T270K262-N266 WeakPolarHBondContact O-CB 3.46Å; K262-N266 VanDerWaalsContact O-CG 3.26Å; K262-N266 PolarHBondContact O-N 3.07Å; K262-N266 PolarHBondContact O-ND2 3.01Å; K262-N266 VanDerWaalsContact O-ND2 3.1Å; E263-N266 PolarHBondContact O-N 3.41Å; E264-N266 VanDerWaalsContact C-N 3.33Å; E264-N266 PolarHBondContact O-N 3.21Å; N266-T270 VanDerWaalsContact O-CB 3.28Å; N266-T270 WeakPolarHBondContact O-CB 3.37Å; N266-T270 PolarHBondContact O-N 3.35Å; N266-T270 PolarHBondContact O-OG1 3.47Å
267R95.1Very high92.9Very high139 Ų13980.4 Ų80.453%0.52539%0.392SS..Hα-helixtrans-60.8-54.1175.3-176.1-179.475.8166.57.6110.8E263 E264 M265 S269 T270 D271E263-R267 VanDerWaalsContact O-CB 3.31Å; E263-R267 WeakPolarHBondContact O-CB 3.45Å; E263-R267 PolarHBondContact O-N 2.98Å; E264-R267 WeakPolarHBondContact O-CB 3.31Å; E264-R267 PolarHBondContact O-N 3.47Å; E264-R267 IonicContact OE1-CZ 2.72Å; E264-R267 IonicContact OE1-NE 2.88Å; E264-R267 IonicContact OE1-NH2 2.99Å; E264-R267 PolarHBondContact OE1-NH2 3.45Å; E264-R267 IonicContact OE2-CZ 2.75Å; E264-R267 IonicContact OE2-NE 3.25Å; E264-R267 PolarHBondContact OE2-NE 3.13Å; E264-R267 IonicContact OE2-NH1 3.04Å; E264-R267 IonicContact OE2-NH2 2.76Å; E264-R267 PolarHBondContact OE2-NH2 3.03Å; M265-R267 VanDerWaalsContact C-N 3.35Å; R267-S269 VanDerWaalsContact C-N 3.35Å; R267-S269 PolarHBondContact O-N 2.92Å; R267-T270 WeakPolarHBondContact O-CB 3.47Å; R267-T270 PolarHBondContact O-N 2.94Å; R267-D271 WeakPolarHBondContact O-CB 3.39Å; R267-D271 PolarHBondContact O-N 3.11Å
268L94.7Very high93.4Very high13 Ų1377.9 Ų77.97%0.06839%0.386CS..Hα-helixtrans-62-40.4-179.4-66.9173.4000112.2L146 N149 L150 L153 E264 M265 D271 K272L146-L268 HydrophobicContact CD1-CB 4.11Å; L146-L268 HydrophobicContact CD1-CD2 3.52Å; L146-L268 HydrophobicContact CD1-CG 4.42Å; N149-L268 HydrophobicContact CB-CD1 4.01Å; L150-L268 HydrophobicContact CD1-CB 4.18Å; L153-L268 HydrophobicContact CD1-CD1 3.65Å; E264-L268 HydrophobicContact CG-CD1 4.02Å; E264-L268 HydrophobicContact CG-CG 4.42Å; E264-L268 WeakPolarHBondContact O-CG 3.25Å; E264-L268 PolarHBondContact O-N 3.49Å; E264-L268 WeakPolarHBondContact OE1-CG 3.42Å; M265-L268 PolarHBondContact O-N 3.5Å; L268-D271 PolarHBondContact O-N 3.24Å; L268-K272 WeakPolarHBondContact O-CB 3.49Å; L268-K272 PolarHBondContact O-N 3.32Å
269S94.6Very high93.8Very high36 Ų3676.8 Ų76.825%0.25238%0.381SS..Hα-helixtrans-64-42.8175.6-174.50000112M265 R267 K272 K273M265-S269 VanDerWaalsContact O-CB 3.27Å; M265-S269 WeakPolarHBondContact O-CB 3.07Å; M265-S269 PolarHBondContact O-N 3.29Å; R267-S269 VanDerWaalsContact C-N 3.35Å; R267-S269 PolarHBondContact O-N 2.92Å; S269-K272 PolarHBondContact O-N 2.91Å; S269-K273 WeakPolarHBondContact O-CG 3.28Å; S269-K273 PolarHBondContact O-N 3.31Å; S269-K273 VanDerWaalsContact O-N 3.13Å
270T96.1Very high94.1Very high64 Ų6471.6 Ų71.639%0.39336%0.36SS..Hα-helixtrans-64.3-45.3176.1-61.90000111.2N266 R267 K273 K274N266-T270 VanDerWaalsContact O-CB 3.28Å; N266-T270 WeakPolarHBondContact O-CB 3.37Å; N266-T270 PolarHBondContact O-N 3.35Å; N266-T270 PolarHBondContact O-OG1 3.47Å; R267-T270 WeakPolarHBondContact O-CB 3.47Å; R267-T270 PolarHBondContact O-N 2.94Å; T270-K273 PolarHBondContact O-N 3.19Å; T270-K274 HydrophobicContact CG2-CD 4.02Å; T270-K274 HydrophobicContact CG2-CG 4.43Å; T270-K274 WeakPolarHBondContact O-CB 3.41Å; T270-K274 WeakPolarHBondContact O-CG 3.42Å; T270-K274 PolarHBondContact O-N 3.05Å
271D95.8Very high94.5Very high57 Ų5777.4 Ų77.431%0.30537%0.371SS..Hα-helixtrans-65.3-40178.9-72.2-13.1000111.1L146 R267 L268 K273 K274 Q275L146-D271 HydrophobicContact CD1-CB 4.16Å; L146-D271 HydrophobicContact CD2-CB 4.12Å; R267-D271 WeakPolarHBondContact O-CB 3.39Å; R267-D271 PolarHBondContact O-N 3.11Å; L268-D271 PolarHBondContact O-N 3.24Å; D271-K273 VanDerWaalsContact C-N 3.32Å; D271-K273 PolarHBondContact O-N 3.4Å; D271-K274 PolarHBondContact O-N 3.46Å; D271-Q275 WeakPolarHBondContact O-CB 3.5Å; D271-Q275 VanDerWaalsContact O-CG 3.25Å; D271-Q275 WeakPolarHBondContact O-CG 3.37Å; D271-Q275 PolarHBondContact O-N 3.15Å
272K95.1Very high95Very high58 Ų5875.9 Ų75.925%0.25236%0.36SS..Hα-helixtrans-58.7-46.3176-177.5-178174.1-174.20110.7Y143 L146 L150 L268 S269 Q275 F276Y143-K272 HydrophobicContact CE2-CG 4.31Å; L146-K272 HydrophobicContact CD2-CB 4.1Å; L146-K272 HydrophobicContact CG-CB 4.17Å; L150-K272 HydrophobicContact CD2-CD 3.68Å; L268-K272 WeakPolarHBondContact O-CB 3.49Å; L268-K272 PolarHBondContact O-N 3.32Å; S269-K272 PolarHBondContact O-N 2.91Å; K272-Q275 PolarHBondContact O-N 2.89Å; K272-F276 WeakPolarHBondContact O-CB 3.46Å; K272-F276 PolarHBondContact O-N 2.96Å; K272-F276 VanDerWaalsContact O-N 3.07Å
273K94.6Very high95.5Very high160 Ų16069.8 Ų69.870%0.69633%0.334SS*.Hα-helixtrans-63.4-43.1176.5-71175.9-176.2177.50111.9S269 T270 D271S269-K273 WeakPolarHBondContact O-CG 3.28Å; S269-K273 PolarHBondContact O-N 3.31Å; S269-K273 VanDerWaalsContact O-N 3.13Å; T270-K273 PolarHBondContact O-N 3.19Å; D271-K273 VanDerWaalsContact C-N 3.32Å; D271-K273 PolarHBondContact O-N 3.4Å
274K96.3Very high95.7Very high135 Ų13568.7 Ų68.759%0.58733%0.327SS*.Hα-helixtrans-64.9-38.6178.4-76.2175.4179.4171.50112.8T270 D271 P278T270-K274 HydrophobicContact CG2-CD 4.02Å; T270-K274 HydrophobicContact CG2-CG 4.43Å; T270-K274 WeakPolarHBondContact O-CB 3.41Å; T270-K274 WeakPolarHBondContact O-CG 3.42Å; T270-K274 PolarHBondContact O-N 3.05Å; D271-K274 PolarHBondContact O-N 3.46Å; K274-P278 WeakPolarHBondContact O-CD 3.35Å; K274-P278 WeakPolarHBondContact O-CG 3.46Å
275Q95.8Very high96.1Very high106 Ų10669.9 Ų69.950%0.49534%0.338SS..Hα-helixtrans-80.7-27.1-177.2-66.2-64.5-5.900113.3Y143 L146 D271 K272 G277 P278 L279Y143-Q275 HydrophobicContact CD2-CB 4.07Å; Y143-Q275 HydrophobicContact CE2-CB 4.28Å; L146-Q275 HydrophobicContact CD2-CG 4.29Å; D271-Q275 WeakPolarHBondContact O-CB 3.5Å; D271-Q275 VanDerWaalsContact O-CG 3.25Å; D271-Q275 WeakPolarHBondContact O-CG 3.37Å; D271-Q275 PolarHBondContact O-N 3.15Å; K272-Q275 PolarHBondContact O-N 2.89Å; Q275-G277 PolarHBondContact O-N 2.89Å; Q275-P278 WeakPolarHBondContact O-CD 3.4Å; Q275-L279 VanDerWaalsContact O-CB 3.25Å; Q275-L279 WeakPolarHBondContact O-CB 3.38Å; Q275-L279 PolarHBondContact O-N 3.3Å
276F96.2Very high96.4Very high80 Ų8069 Ų6935%0.35133%0.334SS..Hα-helixtrans-56.5-54.1-177.2176.8-98.8000113.2V79 L80 Y143 K272 L279 V280V79-F276 HydrophobicContact CG1-CD2 3.93Å; V79-F276 HydrophobicContact CG1-CE2 3.67Å; L80-F276 HydrophobicContact CD2-CE2 4.32Å; L80-F276 HydrophobicContact CD2-CZ 3.83Å; Y143-F276 HydrophobicContact CE2-CB 4.4Å; K272-F276 WeakPolarHBondContact O-CB 3.46Å; K272-F276 PolarHBondContact O-N 2.96Å; K272-F276 VanDerWaalsContact O-N 3.07Å; F276-L279 WeakPolarHBondContact O-CB 3.4Å; F276-L279 PolarHBondContact O-N 3.34Å; F276-V280 HydrophobicContact CD1-CG2 4.38Å; F276-V280 HydrophobicContact CD2-CG2 4.25Å; F276-V280 HydrophobicContact CE1-CG2 4.05Å; F276-V280 HydrophobicContact CE2-CG2 3.93Å; F276-V280 HydrophobicContact CG-CG2 4.48Å; F276-V280 HydrophobicContact CZ-CG2 3.82Å; F276-V280 VanDerWaalsContact O-CG2 3.31Å; F276-V280 WeakPolarHBondContact O-CG2 3.48Å; F276-V280 PolarHBondContact O-N 3.09Å
277G95.7Very high96.7Very high31 Ų3165 Ų6532%0.3231%0.313SS..Hα-helixtrans-60.2-51.5-177.300000113.9Q275 L279 V280 R281Q275-G277 PolarHBondContact O-N 2.89Å; G277-L279 VanDerWaalsContact C-N 3.3Å; G277-L279 PolarHBondContact O-N 3Å; G277-V280 PolarHBondContact O-N 3.48Å; G277-R281 PolarHBondContact O-N 3.4Å
278P97.4Very high96.8Very high60 Ų6059.2 Ų59.239%0.3929%0.293SS..Hα-helixtrans-56.5-39.9172.6-27.636000113.6K274 Q275 R281 W282K274-P278 WeakPolarHBondContact O-CD 3.35Å; K274-P278 WeakPolarHBondContact O-CG 3.46Å; Q275-P278 WeakPolarHBondContact O-CD 3.4Å; P278-R281 PolarHBondContact O-N 3.32Å; P278-W282 WeakPolarHBondContact O-CB 3.34Å; P278-W282 PolarHBondContact O-N 3.13Å
279L97.8Very high97Very high10 Ų1061.6 Ų61.65%0.05230%0.304CS..Hα-helixtrans-63.6-50.2178.218061000111.6Y75 V79 R139 Y143 Q275 F276 G277 R281 W282 L283Y75-L279 HydrophobicContact CE1-CD1 4.28Å; Y75-L279 HydrophobicContact CE1-CD2 4.15Å; V79-L279 HydrophobicContact CG1-CD2 4.32Å; V79-L279 HydrophobicContact CG2-CD2 3.87Å; R139-L279 HydrophobicContact CB-CD1 4.08Å; Y143-L279 HydrophobicContact CD1-CD2 3.7Å; Y143-L279 HydrophobicContact CD2-CD2 3.78Å; Y143-L279 HydrophobicContact CE1-CD2 4.23Å; Y143-L279 HydrophobicContact CE2-CD2 4.3Å; Y143-L279 HydrophobicContact CG-CD2 3.46Å; Y143-L279 VanDerWaalsContact CG-CD2 3.46Å; Q275-L279 VanDerWaalsContact O-CB 3.25Å; Q275-L279 WeakPolarHBondContact O-CB 3.38Å; Q275-L279 PolarHBondContact O-N 3.3Å; F276-L279 WeakPolarHBondContact O-CB 3.4Å; F276-L279 PolarHBondContact O-N 3.34Å; G277-L279 VanDerWaalsContact C-N 3.3Å; G277-L279 PolarHBondContact O-N 3Å; L279-R281 VanDerWaalsContact C-N 3.31Å; L279-R281 PolarHBondContact O-N 3.16Å; L279-W282 PolarHBondContact O-N 2.87Å; L279-W282 VanDerWaalsContact O-N 3.16Å; L279-L283 HydrophobicContact CD1-CD1 4.28Å; L279-L283 HydrophobicContact CD1-CG 4.28Å; L279-L283 HydrophobicContact CG-CD1 4.06Å; L279-L283 HydrophobicContact CG-CG 4.49Å; L279-L283 WeakPolarHBondContact O-CG 3.44Å; L279-L283 PolarHBondContact O-N 3.01Å
280V97.3Very high97.2Very high20 Ų2059.9 Ų59.912%0.12129%0.292CS..Hα-helixtrans-59.6-43.3178.5175.30000111M76 V79 L80 F276 G277 W282 L283 K284M76-V280 HydrophobicContact SD-CG1 4.21Å; V79-V280 HydrophobicContact CG1-CG2 3.9Å; L80-V280 HydrophobicContact CD2-CG2 4.27Å; F276-V280 HydrophobicContact CD1-CG2 4.38Å; F276-V280 HydrophobicContact CD2-CG2 4.25Å; F276-V280 HydrophobicContact CE1-CG2 4.05Å; F276-V280 HydrophobicContact CE2-CG2 3.93Å; F276-V280 HydrophobicContact CG-CG2 4.48Å; F276-V280 HydrophobicContact CZ-CG2 3.82Å; F276-V280 VanDerWaalsContact O-CG2 3.31Å; F276-V280 WeakPolarHBondContact O-CG2 3.48Å; F276-V280 PolarHBondContact O-N 3.09Å; G277-V280 PolarHBondContact O-N 3.48Å; V280-W282 PolarHBondContact O-N 3.2Å; V280-L283 PolarHBondContact O-N 2.91Å; V280-K284 PolarHBondContact O-N 3.34Å
281R97.5Very high97.3Very high173 Ų17356.9 Ų56.965%0.65327%0.274SS*.Hα-helixtrans-61.8-43.8176.3-171.2-178.4-60.2116.92.1111.7G277 P278 L279 K284 V285G277-R281 PolarHBondContact O-N 3.4Å; P278-R281 PolarHBondContact O-N 3.32Å; L279-R281 VanDerWaalsContact C-N 3.31Å; L279-R281 PolarHBondContact O-N 3.16Å; R281-K284 PolarHBondContact O-N 2.93Å; R281-V285 WeakPolarHBondContact O-CG2 3.42Å; R281-V285 PolarHBondContact O-N 3.31Å; R281-V285 VanDerWaalsContact O-N 3.14Å
282W98.4Very high97.4Very high34 Ų3454.4 Ų54.413%0.12926%0.261CS..Hα-helixtrans-62.3-45177.4-175.491.6000111.2I132 D135 L136 P278 L279 V280 K284 V285 N286I132-W282 HydrophobicContact CG2-CH2 4.38Å; D135-W282 HydrophobicContact CB-CH2 3.9Å; D135-W282 HydrophobicContact CB-CZ2 3.35Å; L136-W282 HydrophobicContact CB-CH2 3.95Å; L136-W282 HydrophobicContact CB-CZ3 4.12Å; L136-W282 HydrophobicContact CD1-CZ3 4.04Å; P278-W282 WeakPolarHBondContact O-CB 3.34Å; P278-W282 PolarHBondContact O-N 3.13Å; L279-W282 PolarHBondContact O-N 2.87Å; L279-W282 VanDerWaalsContact O-N 3.16Å; V280-W282 PolarHBondContact O-N 3.2Å; W282-K284 PolarHBondContact O-N 2.95Å; W282-V285 PolarHBondContact O-N 3.29Å; W282-N286 VanDerWaalsContact CD2-ND2 3.34Å; W282-N286 HydrophobicContact CE3-CB 4.48Å; W282-N286 HydrophobicContact CH2-CB 4.06Å; W282-N286 HydrophobicContact CZ2-CB 4.13Å; W282-N286 HydrophobicContact CZ3-CB 4.25Å; W282-N286 PolarHBondContact NE1-ND2 3.17Å; W282-N286 VanDerWaalsContact NE1-ND2 3.19Å; W282-N286 WeakPolarHBondContact O-CB 3.33Å; W282-N286 PolarHBondContact O-N 2.79Å; W282-N286 PolarHBondContact O-ND2 2.89Å
283L98.4Very high97.6Very high0 Ų051.8 Ų51.80%025%0.25CC..Hα-helixtrans-61.6-43177.6-68.1169000111.8V72 Y75 M76 V79 L136 L279 V280 V285 N286 F287V72-L283 HydrophobicContact CG1-CD2 4.14Å; Y75-L283 HydrophobicContact CD1-CD1 3.9Å; Y75-L283 HydrophobicContact CD1-CD2 3.79Å; Y75-L283 HydrophobicContact CD1-CG 4.47Å; Y75-L283 HydrophobicContact CE1-CD1 4.25Å; Y75-L283 HydrophobicContact CE1-CD2 4.5Å; M76-L283 HydrophobicContact CE-CB 3.4Å; M76-L283 HydrophobicContact SD-CB 4.2Å; M76-L283 HydrophobicContact SD-CD1 4.37Å; V79-L283 HydrophobicContact CG2-CD1 4.21Å; L136-L283 HydrophobicContact CD1-CD2 3.58Å; L279-L283 HydrophobicContact CD1-CD1 4.28Å; L279-L283 HydrophobicContact CD1-CG 4.28Å; L279-L283 HydrophobicContact CG-CD1 4.06Å; L279-L283 HydrophobicContact CG-CG 4.49Å; L279-L283 WeakPolarHBondContact O-CG 3.44Å; L279-L283 PolarHBondContact O-N 3.01Å; V280-L283 PolarHBondContact O-N 2.91Å; L283-V285 PolarHBondContact O-N 3.46Å; L283-N286 PolarHBondContact O-N 3.12Å; L283-F287 WeakPolarHBondContact O-CB 3.48Å; L283-F287 PolarHBondContact O-N 3.45Å
284K98.1Very high97.8Very high87 Ų8744.2 Ų44.238%0.37822%0.217SC..Hα-helixtrans-59.1-48177.3178.1171.5-177.9168.40112.2M76 V280 R281 W282 S288M76-K284 HydrophobicContact CE-CB 4.16Å; V280-K284 PolarHBondContact O-N 3.34Å; R281-K284 PolarHBondContact O-N 2.93Å; W282-K284 PolarHBondContact O-N 2.95Å; K284-S288 PolarHBondContact O-N 3.48Å
285V98.3Very high97.9Very high80 Ų8037.8 Ų37.849%0.48519%0.189SC..Hα-helixtrans-64.3-49.1179.41720000110.6R281 W282 L283 F287 S288 E289R281-V285 WeakPolarHBondContact O-CG2 3.42Å; R281-V285 PolarHBondContact O-N 3.31Å; R281-V285 VanDerWaalsContact O-N 3.14Å; W282-V285 PolarHBondContact O-N 3.29Å; L283-V285 PolarHBondContact O-N 3.46Å; V285-F287 PolarHBondContact O-N 3.4Å; V285-S288 WeakPolarHBondContact O-CB 3.43Å; V285-S288 PolarHBondContact O-N 3.47Å; V285-E289 HydrophobicContact CG1-CG 4.46Å; V285-E289 WeakPolarHBondContact O-CG 3.37Å; V285-E289 PolarHBondContact O-N 2.85Å
286N98.5Very high98Very high23 Ų2332.7 Ų32.712%0.12317%0.165CC..Hα-helixtrans-75.3-25.5-174.2-71.9-86.4000113.1I132 W282 L283 A290I132-N286 HydrophobicContact CG1-CB 4.42Å; I132-N286 HydrophobicContact CG2-CB 3.97Å; W282-N286 VanDerWaalsContact CD2-ND2 3.34Å; W282-N286 HydrophobicContact CE3-CB 4.48Å; W282-N286 HydrophobicContact CH2-CB 4.06Å; W282-N286 HydrophobicContact CZ2-CB 4.13Å; W282-N286 HydrophobicContact CZ3-CB 4.25Å; W282-N286 PolarHBondContact NE1-ND2 3.17Å; W282-N286 VanDerWaalsContact NE1-ND2 3.19Å; W282-N286 WeakPolarHBondContact O-CB 3.33Å; W282-N286 PolarHBondContact O-N 2.79Å; W282-N286 PolarHBondContact O-ND2 2.89Å; L283-N286 PolarHBondContact O-N 3.12Å; N286-A290 VanDerWaalsContact O-CB 3.23Å; N286-A290 WeakPolarHBondContact O-CB 3.44Å; N286-A290 PolarHBondContact O-N 3.31Å
287F98.6Very high98.1Very high0 Ų028.9 Ų28.90%015%0.148CC..Hα-helixtrans-61.4-50.6167.5174.6-95.6000110.8V69 V72 A73 L91 L98 L283 V285 E289 A290 F291 L378V69-F287 HydrophobicContact CG1-CE2 3.95Å; V72-F287 HydrophobicContact CG1-CB 3.72Å; V72-F287 HydrophobicContact CG1-CD2 4.36Å; A73-F287 HydrophobicContact CB-CD2 4.22Å; A73-F287 HydrophobicContact CB-CE2 3.96Å; L91-F287 VanDerWaalsContact CA-CE1 3.41Å; L91-F287 HydrophobicContact CB-CD1 4.16Å; L91-F287 HydrophobicContact CB-CE1 3.67Å; L91-F287 HydrophobicContact CB-CE2 4.35Å; L91-F287 HydrophobicContact CB-CZ 3.77Å; L91-F287 HydrophobicContact CD2-CD1 4.04Å; L91-F287 HydrophobicContact CD2-CD2 3.68Å; L91-F287 HydrophobicContact CD2-CE1 4.22Å; L91-F287 HydrophobicContact CD2-CE2 3.85Å; L91-F287 HydrophobicContact CD2-CG 3.77Å; L91-F287 HydrophobicContact CD2-CZ 4.13Å; L91-F287 HydrophobicContact CG-CE1 4.5Å; L91-F287 HydrophobicContact CG-CE2 4.47Å; L91-F287 HydrophobicContact CG-CZ 4.37Å; L98-F287 HydrophobicContact CD1-CZ 4.17Å; L98-F287 HydrophobicContact CD2-CE1 3.87Å; L98-F287 HydrophobicContact CD2-CZ 4.04Å; L283-F287 WeakPolarHBondContact O-CB 3.48Å; L283-F287 PolarHBondContact O-N 3.45Å; V285-F287 PolarHBondContact O-N 3.4Å; F287-E289 VanDerWaalsContact C-N 3.34Å; F287-E289 PolarHBondContact O-N 2.92Å; F287-A290 PolarHBondContact O-N 2.86Å; F287-F291 HydrophobicContact CE1-CB 4.48Å; F287-F291 HydrophobicContact CZ-CB 4.46Å; F287-F291 HydrophobicContact CZ-CD2 4.25Å; F287-F291 WeakPolarHBondContact O-CB 3.44Å; F287-F291 PolarHBondContact O-N 3.43Å; F287-L378 HydrophobicContact CE2-CD1 3.58Å; F287-L378 HydrophobicContact CZ-CD1 3.54Å
288S98.3Very high98.3Very high16 Ų1627.8 Ų27.811%0.11214%0.135CC..Hα-helixtrans-56.6-49.1177174.90000111L92 N94 K284 V285 F291 I292L92-S288 WeakPolarHBondContact O-CA 3.34Å; L92-S288 VanDerWaalsContact O-CB 3.3Å; L92-S288 WeakPolarHBondContact O-CB 3.33Å; N94-S288 PolarHBondContact N-OG 2.87Å; K284-S288 PolarHBondContact O-N 3.48Å; V285-S288 WeakPolarHBondContact O-CB 3.43Å; V285-S288 PolarHBondContact O-N 3.47Å; S288-F291 PolarHBondContact O-N 2.73Å; S288-I292 WeakPolarHBondContact O-CB 3.37Å; S288-I292 WeakPolarHBondContact O-CD1 3.12Å; S288-I292 WeakPolarHBondContact O-CG1 3.48Å; S288-I292 PolarHBondContact O-N 3.41Å
289E98.3Very high98.3Very high64 Ų6425 Ų2530%0.29912%0.116SC..Hα-helixtrans-59.7-47.5178.5-69.9-62.1136.700112.6K111 I132 V285 F287 I292 A293K111-E289 IonicContact NZ-OE1 2.92Å; K111-E289 PolarHBondContact NZ-OE1 3.27Å; K111-E289 IonicContact NZ-OE2 3.59Å; K111-E289 PolarHBondContact NZ-OE2 2.83Å; I132-E289 HydrophobicContact CD1-CB 4Å; V285-E289 HydrophobicContact CG1-CG 4.46Å; V285-E289 WeakPolarHBondContact O-CG 3.37Å; V285-E289 PolarHBondContact O-N 2.85Å; F287-E289 VanDerWaalsContact C-N 3.34Å; F287-E289 PolarHBondContact O-N 2.92Å; E289-I292 PolarHBondContact O-N 2.88Å; E289-A293 VanDerWaalsContact O-CB 3.31Å; E289-A293 WeakPolarHBondContact O-CB 3.48Å; E289-A293 PolarHBondContact O-N 2.92Å
290A98.6Very high98.3Very high0 Ų024.5 Ų24.50%011%0.114CC..Hα-helixtrans-65.1-40.817900000112V69 I132 N286 F287 A293 W294V69-A290 VanDerWaalsContact CG2-C 3.48Å; V69-A290 HydrophobicContact CG2-CB 3.73Å; V69-A290 WeakPolarHBondContact CG2-O 3.3Å; I132-A290 HydrophobicContact CD1-CB 4.12Å; N286-A290 VanDerWaalsContact O-CB 3.23Å; N286-A290 WeakPolarHBondContact O-CB 3.44Å; N286-A290 PolarHBondContact O-N 3.31Å; F287-A290 PolarHBondContact O-N 2.86Å; A290-A293 PolarHBondContact O-N 3.39Å; A290-W294 WeakPolarHBondContact O-CB 3.09Å; A290-W294 PolarHBondContact O-N 2.86Å
291F98.4Very high98.4Very high0 Ų024.7 Ų24.70%011%0.113CC..Hα-helixtrans-67.6-44.1178.7-171.1-88.5000111.7V69 A93 L98 Y101 I102 F287 S288 A293 W294 I295 L378V69-F291 HydrophobicContact CG1-CD2 4.01Å; A93-F291 HydrophobicContact CB-CD1 3.58Å; A93-F291 HydrophobicContact CB-CE1 4.14Å; A93-F291 HydrophobicContact CB-CG 4.38Å; L98-F291 HydrophobicContact CB-CE1 4.26Å; L98-F291 HydrophobicContact CB-CE2 4.38Å; L98-F291 HydrophobicContact CB-CZ 3.81Å; L98-F291 HydrophobicContact CD1-CD2 4.39Å; L98-F291 HydrophobicContact CD1-CE2 3.85Å; L98-F291 HydrophobicContact CD1-CZ 4.14Å; L98-F291 HydrophobicContact CD2-CD1 3.92Å; L98-F291 HydrophobicContact CD2-CD2 4.02Å; L98-F291 HydrophobicContact CD2-CE1 3.77Å; L98-F291 HydrophobicContact CD2-CE2 3.91Å; L98-F291 HydrophobicContact CD2-CG 4.03Å; L98-F291 HydrophobicContact CD2-CZ 3.76Å; L98-F291 HydrophobicContact CG-CE2 4.26Å; L98-F291 HydrophobicContact CG-CZ 4.1Å; Y101-F291 HydrophobicContact CD1-CD1 4.1Å; Y101-F291 AromaticContact CD1-CE1 3.8Å; Y101-F291 HydrophobicContact CD1-CE1 3.8Å; Y101-F291 HydrophobicContact CE1-CD1 4.42Å; Y101-F291 HydrophobicContact CE1-CE1 4.43Å; I102-F291 HydrophobicContact CD1-CE1 4.35Å; I102-F291 HydrophobicContact CD1-CZ 3.8Å; I102-F291 HydrophobicContact CG1-CE1 4.06Å; I102-F291 HydrophobicContact CG1-CZ 4.02Å; F287-F291 HydrophobicContact CE1-CB 4.48Å; F287-F291 HydrophobicContact CZ-CB 4.46Å; F287-F291 HydrophobicContact CZ-CD2 4.25Å; F287-F291 WeakPolarHBondContact O-CB 3.44Å; F287-F291 PolarHBondContact O-N 3.43Å; S288-F291 PolarHBondContact O-N 2.73Å; F291-A293 VanDerWaalsContact C-N 3.32Å; F291-A293 PolarHBondContact O-N 3Å; F291-W294 HydrophobicContact CD2-CE3 4.06Å; F291-W294 HydrophobicContact CD2-CZ3 4.45Å; F291-W294 AromaticContact CE2-CE3 3.96Å; F291-W294 HydrophobicContact CE2-CE3 3.96Å; F291-W294 HydrophobicContact CE2-CZ3 4Å; F291-W294 WeakPolarHBondContact O-CB 3.49Å; F291-W294 PolarHBondContact O-N 3.07Å; F291-W294 VanDerWaalsContact O-N 3.17Å; F291-I295 HydrophobicContact CD1-CG1 4.18Å; F291-I295 HydrophobicContact CE1-CD1 4.22Å; F291-I295 HydrophobicContact CE1-CG1 3.85Å; F291-I295 HydrophobicContact CZ-CD1 4.24Å; F291-I295 HydrophobicContact CZ-CG1 4.38Å; F291-I295 WeakPolarHBondContact O-CG1 3.47Å; F291-I295 PolarHBondContact O-N 3.02Å; F291-I295 VanDerWaalsContact O-N 3.11Å; F291-L378 HydrophobicContact CD2-CD1 4.11Å; F291-L378 HydrophobicContact CE2-CD1 4.15Å
292I98.3Very high98.4Very high6 Ų616.5 Ų16.53%0.0318%0.081CC..Hα-helixtrans-57.3-48.7173.7-71.5166.1000110A93 N94 Y101 S288 E289 W294 I295 H296A93-I292 HydrophobicContact CB-CG1 4.46Å; N94-I292 HydrophobicContact CB-CD1 4.05Å; Y101-I292 HydrophobicContact CE1-CG1 4.34Å; Y101-I292 HydrophobicContact CE2-CD1 4.5Å; Y101-I292 HydrophobicContact CE2-CG1 3.86Å; Y101-I292 WeakPolarHBondContact OH-CG2 3.18Å; S288-I292 WeakPolarHBondContact O-CB 3.37Å; S288-I292 WeakPolarHBondContact O-CD1 3.12Å; S288-I292 WeakPolarHBondContact O-CG1 3.48Å; S288-I292 PolarHBondContact O-N 3.41Å; E289-I292 PolarHBondContact O-N 2.88Å; I292-W294 VanDerWaalsContact C-N 3.27Å; I292-W294 PolarHBondContact O-N 2.8Å; I292-I295 PolarHBondContact O-N 3.43Å; I292-H296 PolarHBondContact O-N 2.85Å; I292-H296 VanDerWaalsContact O-N 3.11Å; I292-H296 PolarHBondContact O-ND1 2.88Å
293A98.7Very high98.4Very high3 Ų315.1 Ų15.13%0.0258%0.076CC..Hα-helixtrans-57.6-41.7176.900000111.6V65 I125 V129 E289 A290 F291 I295 H296 V297V65-A293 HydrophobicContact CG1-CB 4.45Å; I125-A293 HydrophobicContact CG2-CB 3.97Å; V129-A293 HydrophobicContact CG2-CB 3.84Å; E289-A293 VanDerWaalsContact O-CB 3.31Å; E289-A293 WeakPolarHBondContact O-CB 3.48Å; E289-A293 PolarHBondContact O-N 2.92Å; A290-A293 PolarHBondContact O-N 3.39Å; F291-A293 VanDerWaalsContact C-N 3.32Å; F291-A293 PolarHBondContact O-N 3Å; A293-I295 PolarHBondContact O-N 3.23Å; A293-H296 PolarHBondContact O-N 2.95Å; A293-V297 WeakPolarHBondContact O-CG2 3.27Å; A293-V297 PolarHBondContact O-N 3.19Å
294W98.6Very high98.3Very high0 Ų015.1 Ų15.10%08%0.077CC..Hα-helixtrans-59-48.2178-171.532.2000112.6D62 V65 E66 V69 A290 F291 I292 H296 V297 K298 I374 L378D62-W294 VanDerWaalsContact OD1-CD1 3.28Å; D62-W294 PolarHBondContact OD1-NE1 3.25Å; V65-W294 HydrophobicContact CG1-CB 3.68Å; V65-W294 HydrophobicContact CG1-CG 4.26Å; E66-W294 HydrophobicContact CB-CZ2 3.88Å; E66-W294 HydrophobicContact CG-CH2 4.03Å; E66-W294 HydrophobicContact CG-CZ2 3.51Å; V69-W294 HydrophobicContact CG2-CB 4.25Å; A290-W294 WeakPolarHBondContact O-CB 3.09Å; A290-W294 PolarHBondContact O-N 2.86Å; F291-W294 HydrophobicContact CD2-CE3 4.06Å; F291-W294 HydrophobicContact CD2-CZ3 4.45Å; F291-W294 AromaticContact CE2-CE3 3.96Å; F291-W294 HydrophobicContact CE2-CE3 3.96Å; F291-W294 HydrophobicContact CE2-CZ3 4Å; F291-W294 WeakPolarHBondContact O-CB 3.49Å; F291-W294 PolarHBondContact O-N 3.07Å; F291-W294 VanDerWaalsContact O-N 3.17Å; I292-W294 VanDerWaalsContact C-N 3.27Å; I292-W294 PolarHBondContact O-N 2.8Å; W294-H296 VanDerWaalsContact C-N 3.28Å; W294-H296 PolarHBondContact O-N 2.98Å; W294-V297 WeakPolarHBondContact O-CB 3.46Å; W294-V297 PolarHBondContact O-N 2.99Å; W294-V297 VanDerWaalsContact O-N 3.1Å; W294-K298 VanDerWaalsContact NE1-CE 3.31Å; W294-K298 WeakPolarHBondContact O-CG 3.5Å; W294-K298 PolarHBondContact O-N 3.49Å; W294-I374 HydrophobicContact CH2-CG2 4.08Å; W294-I374 HydrophobicContact CZ3-CG2 4.14Å; W294-L378 HydrophobicContact CZ3-CD2 4.2Å
295I98.5Very high98.3Very high0 Ų012.6 Ų12.60%07%0.066CC..Hα-helixtrans-66.4-32.2179.5-54.8-52.9000111.5F38 Y101 I102 F105 F291 I292 A293 K298 A299 I374F38-I295 HydrophobicContact CE2-CG2 4.11Å; F38-I295 HydrophobicContact CZ-CG2 3.96Å; Y101-I295 HydrophobicContact CD1-CG1 4.27Å; Y101-I295 HydrophobicContact CE1-CB 4.06Å; Y101-I295 HydrophobicContact CE1-CG1 3.92Å; Y101-I295 HydrophobicContact CE1-CG2 4.37Å; I102-I295 HydrophobicContact CD1-CD1 4.22Å; I102-I295 HydrophobicContact CG1-CD1 3.93Å; I102-I295 HydrophobicContact CG1-CG1 4.23Å; F105-I295 HydrophobicContact CD2-CB 4.42Å; F105-I295 HydrophobicContact CD2-CG2 3.51Å; F105-I295 HydrophobicContact CE2-CB 4.44Å; F105-I295 HydrophobicContact CE2-CG2 3.79Å; F105-I295 HydrophobicContact CG-CG2 4.17Å; F291-I295 HydrophobicContact CD1-CG1 4.18Å; F291-I295 HydrophobicContact CE1-CD1 4.22Å; F291-I295 HydrophobicContact CE1-CG1 3.85Å; F291-I295 HydrophobicContact CZ-CD1 4.24Å; F291-I295 HydrophobicContact CZ-CG1 4.38Å; F291-I295 WeakPolarHBondContact O-CG1 3.47Å; F291-I295 PolarHBondContact O-N 3.02Å; F291-I295 VanDerWaalsContact O-N 3.11Å; I292-I295 PolarHBondContact O-N 3.43Å; A293-I295 PolarHBondContact O-N 3.23Å; I295-K298 WeakPolarHBondContact O-CB 3.46Å; I295-K298 PolarHBondContact O-N 3.36Å; I295-A299 PolarHBondContact O-N 3.16Å; I295-I374 HydrophobicContact CD1-CD1 4.22Å; I295-I374 HydrophobicContact CD1-CG2 4.05Å
296H98.6Very high98.1Very high0 Ų08.8 Ų8.80%04%0.043CC..Hα-helixtrans-67-37.9171.5-74.780.2000112.5F105 W107 D108 Y112 I125 I292 A293 W294 K298 A299 L300F105-H296 AromaticContact CE2-CE1 3.64Å; F105-H296 AromaticContact CE2-ND1 3.85Å; F105-H296 AromaticContact CE2-NE2 3.86Å; F105-H296 AromaticContact CZ-NE2 3.93Å; W107-H296 AromaticContact CD2-CD2 3.84Å; W107-H296 AromaticContact CE3-CD2 3.72Å; W107-H296 AromaticContact CZ3-CD2 3.89Å; D108-H296 PolarHBondContact N-NE2 3.14Å; Y112-H296 HydrophobicContact CD2-CB 4.25Å; Y112-H296 AromaticContact CD2-CD2 3.22Å; Y112-H296 WeakPolarHBondContact CD2-CD2 3.14Å; Y112-H296 AromaticContact CD2-CG 3.64Å; Y112-H296 AromaticContact CD2-NE2 3.56Å; Y112-H296 HydrophobicContact CE2-CB 3.99Å; Y112-H296 AromaticContact CE2-CD2 3.57Å; Y112-H296 AromaticContact CE2-CE1 3.88Å; Y112-H296 AromaticContact CE2-CG 3.47Å; Y112-H296 VanDerWaalsContact CE2-CG 3.47Å; Y112-H296 AromaticContact CE2-ND1 3.69Å; Y112-H296 AromaticContact CE2-NE2 3.83Å; I125-H296 HydrophobicContact CD1-CB 4.07Å; I292-H296 PolarHBondContact O-N 2.85Å; I292-H296 VanDerWaalsContact O-N 3.11Å; I292-H296 PolarHBondContact O-ND1 2.88Å; A293-H296 PolarHBondContact O-N 2.95Å; W294-H296 VanDerWaalsContact C-N 3.28Å; W294-H296 PolarHBondContact O-N 2.98Å; H296-K298 VanDerWaalsContact C-N 3.35Å; H296-A299 WeakPolarHBondContact O-CB 3.4Å; H296-A299 PolarHBondContact O-N 3.48Å; H296-L300 WeakPolarHBondContact O-CG 3.3Å; H296-L300 PolarHBondContact O-N 3.36Å
297V98.7Very high98Very high0 Ų08 Ų80%04%0.039CC..Hα-helixtrans-62.7-43.1171.8177.60000110.6L58 L61 D62 V65 I125 A293 W294 A299 L300 R301L58-V297 HydrophobicContact CD2-CG1 4.45Å; L61-V297 HydrophobicContact CD2-CG2 3.94Å; L61-V297 HydrophobicContact CG-CG1 4.33Å; L61-V297 HydrophobicContact CG-CG2 4.01Å; D62-V297 HydrophobicContact CB-CG1 3.72Å; V65-V297 HydrophobicContact CG2-CG2 4.22Å; I125-V297 HydrophobicContact CB-CG2 4.46Å; I125-V297 HydrophobicContact CD1-CG2 3.96Å; I125-V297 HydrophobicContact CG2-CG2 3.62Å; A293-V297 WeakPolarHBondContact O-CG2 3.27Å; A293-V297 PolarHBondContact O-N 3.19Å; W294-V297 WeakPolarHBondContact O-CB 3.46Å; W294-V297 PolarHBondContact O-N 2.99Å; W294-V297 VanDerWaalsContact O-N 3.1Å; V297-A299 VanDerWaalsContact C-N 3.29Å; V297-A299 PolarHBondContact O-N 2.86Å; V297-L300 PolarHBondContact O-N 3.15Å; V297-R301 HydrophobicContact CG1-CG 4.37Å; V297-R301 WeakPolarHBondContact O-CG 3.34Å; V297-R301 PolarHBondContact O-N 3.38Å
298K98.5Very high97.8Very high8 Ų810.4 Ų10.44%0.0355%0.052CC..Hα-helixtrans-58.3-42.2174.2-64.5-69.3-175.6-170.90111.6L6 D62 W294 I295 H296 R301 V302 K373 I374L6-K298 HydrophobicContact CD2-CB 3.92Å; D62-K298 WeakPolarHBondContact OD1-CE 3.28Å; D62-K298 IonicContact OD1-NZ 3.88Å; D62-K298 PolarHBondContact OD1-NZ 3.48Å; D62-K298 WeakPolarHBondContact OD2-CE 3.42Å; D62-K298 IonicContact OD2-NZ 2.73Å; D62-K298 PolarHBondContact OD2-NZ 3.21Å; W294-K298 VanDerWaalsContact NE1-CE 3.31Å; W294-K298 WeakPolarHBondContact O-CG 3.5Å; W294-K298 PolarHBondContact O-N 3.49Å; I295-K298 WeakPolarHBondContact O-CB 3.46Å; I295-K298 PolarHBondContact O-N 3.36Å; H296-K298 VanDerWaalsContact C-N 3.35Å; K298-R301 PolarHBondContact O-N 3.14Å; K298-V302 WeakPolarHBondContact O-CG2 3.34Å; K298-V302 PolarHBondContact O-N 3.28Å; K298-K373 PolarHBondContact NZ-O 3.41Å; K298-I374 HydrophobicContact CB-CD1 4.48Å; K298-I374 HydrophobicContact CD-CG1 4.17Å; K298-I374 HydrophobicContact CG-CD1 4.24Å; K298-I374 HydrophobicContact CG-CG1 4.1Å
299A98.5Very high97.5Very high0 Ų013.2 Ų13.20%06%0.06CC..Hα-helixtrans-62.1-45175.400000112.3F38 I40 F105 W107 I295 H296 V297 R301 V302 F303F38-A299 HydrophobicContact CE1-CB 3.7Å; F38-A299 HydrophobicContact CZ-CB 4.12Å; I40-A299 HydrophobicContact CG1-CB 4.41Å; F105-A299 HydrophobicContact CE1-CB 4.19Å; F105-A299 HydrophobicContact CZ-CB 4.11Å; W107-A299 HydrophobicContact CE3-CB 4.23Å; W107-A299 HydrophobicContact CZ3-CB 3.79Å; I295-A299 PolarHBondContact O-N 3.16Å; H296-A299 WeakPolarHBondContact O-CB 3.4Å; H296-A299 PolarHBondContact O-N 3.48Å; V297-A299 VanDerWaalsContact C-N 3.29Å; V297-A299 PolarHBondContact O-N 2.86Å; A299-R301 PolarHBondContact O-N 2.79Å; A299-V302 PolarHBondContact O-N 3.02Å; A299-F303 WeakPolarHBondContact O-CB 3.46Å; A299-F303 PolarHBondContact O-N 3.39Å
300L98.4Very high97.3Very high0 Ų012.5 Ų12.50%06%0.055CC..Hα-helixtrans-60.2-44.3174.3-71.2173.6000111.8L43 L58 W107 L118 I121 I125 H296 V297 V302 F303 V304L43-L300 HydrophobicContact CD1-CD2 3.98Å; L58-L300 HydrophobicContact CD1-CB 3.95Å; L58-L300 HydrophobicContact CD2-CB 3.97Å; L58-L300 HydrophobicContact CD2-CD1 4Å; W107-L300 HydrophobicContact CH2-CD2 3.75Å; W107-L300 HydrophobicContact CH2-CG 3.96Å; W107-L300 HydrophobicContact CZ3-CD2 4.49Å; L118-L300 HydrophobicContact CD2-CD2 3.7Å; I121-L300 HydrophobicContact CG2-CD1 4.01Å; I121-L300 HydrophobicContact CG2-CD2 4.45Å; I125-L300 HydrophobicContact CD1-CD1 3.97Å; H296-L300 WeakPolarHBondContact O-CG 3.3Å; H296-L300 PolarHBondContact O-N 3.36Å; V297-L300 PolarHBondContact O-N 3.15Å; L300-V302 PolarHBondContact O-N 3.41Å; L300-F303 PolarHBondContact O-N 3.04Å; L300-V304 WeakPolarHBondContact O-CG2 3.45Å; L300-V304 PolarHBondContact O-N 2.78Å
301R98.2Very high96.9Very high25 Ų2514 Ų149%0.0947%0.07CC..Hα-helixtrans-60.6-45.4177.5-75.4-168.371.9164.113.2112.1L58 D62 V297 K298 A299 F303 E305 Y372L58-R301 HydrophobicContact CB-CG 3.69Å; L58-R301 HydrophobicContact CD1-CG 4.38Å; D62-R301 WeakPolarHBondContact OD2-CD 3.23Å; D62-R301 IonicContact OD2-CZ 2.71Å; D62-R301 IonicContact OD2-NE 2.78Å; D62-R301 IonicContact OD2-NH1 2.63Å; D62-R301 PolarHBondContact OD2-NH1 3.37Å; V297-R301 HydrophobicContact CG1-CG 4.37Å; V297-R301 WeakPolarHBondContact O-CG 3.34Å; V297-R301 PolarHBondContact O-N 3.38Å; K298-R301 PolarHBondContact O-N 3.14Å; A299-R301 PolarHBondContact O-N 2.79Å; R301-F303 VanDerWaalsContact C-N 3.33Å; R301-E305 WeakPolarHBondContact O-CB 3.25Å; R301-E305 PolarHBondContact O-N 3.19Å; R301-Y372 HydrophobicContact CB-CD2 4.27Å; R301-Y372 HydrophobicContact CB-CE1 4.41Å; R301-Y372 HydrophobicContact CB-CE2 3.69Å; R301-Y372 VanDerWaalsContact NE-CE1 3.32Å
302V98.1Very high96.5Very high0 Ų019.6 Ų19.60%010%0.1CC..Hα-helixtrans-60.8-45.6175.2171.80000110.8L6 I40 K298 A299 L300 S306 F316 A318 Y372L6-V302 HydrophobicContact CD1-CG2 4.44Å; L6-V302 HydrophobicContact CD2-CG2 3.43Å; L6-V302 VanDerWaalsContact CD2-CG2 3.43Å; L6-V302 HydrophobicContact CG-CG2 3.58Å; I40-V302 HydrophobicContact CD1-CB 3.96Å; I40-V302 HydrophobicContact CD1-CG1 3.75Å; K298-V302 WeakPolarHBondContact O-CG2 3.34Å; K298-V302 PolarHBondContact O-N 3.28Å; A299-V302 PolarHBondContact O-N 3.02Å; L300-V302 PolarHBondContact O-N 3.41Å; V302-S306 WeakPolarHBondContact O-CB 3.45Å; V302-S306 PolarHBondContact O-N 3.41Å; V302-S306 PolarHBondContact O-OG 2.97Å; V302-F316 HydrophobicContact CG1-CE2 4.44Å; V302-A318 HydrophobicContact CG1-CB 3.87Å; V302-Y372 HydrophobicContact CG2-CD2 3.64Å; V302-Y372 HydrophobicContact CG2-CE2 4.06Å
303F98Very high96.2Very high5 Ų524.8 Ų24.82%0.02213%0.133CC..Hα-helixtrans-60.4-55.1-179.8-177.7-87.2000111.5I40 L43 V45 L118 A299 L300 R301 E305 S306 V307 V314 F316I40-F303 HydrophobicContact CG2-CB 4.33Å; I40-F303 HydrophobicContact CG2-CD2 3.97Å; L43-F303 HydrophobicContact CB-CD1 4.39Å; L43-F303 HydrophobicContact CB-CD2 4.25Å; L43-F303 HydrophobicContact CB-CE1 4.05Å; L43-F303 HydrophobicContact CB-CE2 3.89Å; L43-F303 HydrophobicContact CB-CG 4.5Å; L43-F303 HydrophobicContact CB-CZ 3.78Å; L43-F303 HydrophobicContact CD1-CB 4.22Å; L43-F303 HydrophobicContact CD1-CD1 4.28Å; L43-F303 HydrophobicContact CD1-CD2 4.01Å; L43-F303 HydrophobicContact CD1-CE2 4.49Å; L43-F303 HydrophobicContact CD1-CG 3.9Å; L43-F303 HydrophobicContact CG-CD2 4.42Å; L43-F303 HydrophobicContact CG-CE2 4.46Å; L43-F303 WeakPolarHBondContact O-CZ 3.31Å; V45-F303 HydrophobicContact CG2-CE1 4.33Å; V45-F303 HydrophobicContact CG2-CZ 3.96Å; L118-F303 HydrophobicContact CD1-CD1 3.97Å; L118-F303 HydrophobicContact CD1-CE1 3.88Å; L118-F303 HydrophobicContact CD2-CD1 4.15Å; L118-F303 HydrophobicContact CD2-CE1 4.3Å; A299-F303 WeakPolarHBondContact O-CB 3.46Å; A299-F303 PolarHBondContact O-N 3.39Å; L300-F303 PolarHBondContact O-N 3.04Å; R301-F303 VanDerWaalsContact C-N 3.33Å; F303-E305 PolarHBondContact O-N 2.95Å; F303-S306 PolarHBondContact O-N 3.3Å; F303-V307 HydrophobicContact CD1-CG2 4.38Å; F303-V307 HydrophobicContact CE1-CG2 4.02Å; F303-V307 HydrophobicContact CZ-CG2 4.18Å; F303-V307 WeakPolarHBondContact O-CG2 3.37Å; F303-V307 PolarHBondContact O-N 2.86Å; F303-V314 HydrophobicContact CE2-CG1 4.42Å; F303-V314 HydrophobicContact CZ-CG2 4.5Å; F303-F316 HydrophobicContact CB-CZ 4.43Å; F303-F316 HydrophobicContact CD2-CE1 4.12Å; F303-F316 AromaticContact CD2-CZ 3.75Å; F303-F316 HydrophobicContact CD2-CZ 3.75Å; F303-F316 HydrophobicContact CE2-CE1 4.42Å; F303-F316 HydrophobicContact CE2-CZ 4.41Å; F303-F316 HydrophobicContact CG-CZ 4.38Å
304V97.4Very high95.9Very high1 Ų127.5 Ų27.51%0.00615%0.15CC..Hα-helixtrans-59-50.5-178.6170.70000110.8L51 L54 L58 L118 L300 S306 V307 L308L51-V304 HydrophobicContact CB-CG1 4.39Å; L51-V304 HydrophobicContact CD2-CB 4.46Å; L51-V304 HydrophobicContact CD2-CG1 4.17Å; L51-V304 HydrophobicContact CD2-CG2 3.98Å; L51-V304 WeakPolarHBondContact O-CG1 3.36Å; L54-V304 HydrophobicContact CD2-CG2 3.99Å; L54-V304 HydrophobicContact CG-CG2 4.47Å; L58-V304 HydrophobicContact CD1-CB 4.22Å; L58-V304 HydrophobicContact CD1-CG2 3.72Å; L118-V304 HydrophobicContact CD1-CG2 3.94Å; L300-V304 WeakPolarHBondContact O-CG2 3.45Å; L300-V304 PolarHBondContact O-N 2.78Å; V304-S306 VanDerWaalsContact C-N 3.32Å; V304-S306 PolarHBondContact O-N 3.4Å; V304-V307 PolarHBondContact O-N 3.38Å; V304-L308 HydrophobicContact CG1-CD1 3.87Å; V304-L308 HydrophobicContact CG1-CG 4.4Å; V304-L308 WeakPolarHBondContact O-CG 3.4Å; V304-L308 PolarHBondContact O-N 3.09Å
305E96.2Very high95.7Very high33 Ų3330.7 Ų30.715%0.15417%0.167CC..Hα-helixtrans-64.5-37.3-178.9-169.268.7-168.100111.9S55 R301 F303 L308 R309 V370 Y372S55-E305 PolarHBondContact OG-OE2 3.03Å; R301-E305 WeakPolarHBondContact O-CB 3.25Å; R301-E305 PolarHBondContact O-N 3.19Å; F303-E305 PolarHBondContact O-N 2.95Å; E305-L308 PolarHBondContact O-N 2.82Å; E305-R309 HydrophobicContact CG-CG 4.48Å; E305-R309 WeakPolarHBondContact O-CB 3.23Å; E305-R309 WeakPolarHBondContact O-CG 3.45Å; E305-R309 PolarHBondContact O-N 3.18Å; E305-R309 IonicContact OE1-CZ 2.62Å; E305-R309 VanDerWaalsContact OE1-CZ 3.23Å; E305-R309 IonicContact OE1-NE 3.23Å; E305-R309 PolarHBondContact OE1-NE 3.44Å; E305-R309 IonicContact OE1-NH2 3.23Å; E305-R309 PolarHBondContact OE1-NH2 2.92Å; E305-V370 HydrophobicContact CB-CG1 3.93Å; E305-V370 HydrophobicContact CB-CG2 4.09Å; E305-V370 HydrophobicContact CG-CB 4.33Å; E305-V370 HydrophobicContact CG-CG1 3.85Å; E305-V370 HydrophobicContact CG-CG2 3.65Å; E305-Y372 HydrophobicContact CB-CE2 4.47Å
306S95.8Very high95.5Very high0 Ų031.9 Ų31.90%017%0.172CC..Hα-helixtrans-66.9-39177.3-58.90000111.8S8 V302 F303 V304 Y310S8-S306 WeakPolarHBondContact CB-OG 3.38Å; S8-S306 PolarHBondContact OG-OG 3.27Å; V302-S306 WeakPolarHBondContact O-CB 3.45Å; V302-S306 PolarHBondContact O-N 3.41Å; V302-S306 PolarHBondContact O-OG 2.97Å; F303-S306 PolarHBondContact O-N 3.3Å; V304-S306 VanDerWaalsContact C-N 3.32Å; V304-S306 PolarHBondContact O-N 3.4Å; S306-Y310 WeakPolarHBondContact O-CB 3.48Å; S306-Y310 WeakPolarHBondContact O-CD2 3.39Å; S306-Y310 VanDerWaalsContact O-CG 3.31Å; S306-Y310 PolarHBondContact O-N 3.4Å
307V95.4Very high95.5Very high7 Ų733 Ų334%0.04218%0.177CC..Hα-helixtrans-67.8-42.9175.4176.40000111.1V45 L51 F303 V304 R309 G311 L312 V314 F316V45-V307 HydrophobicContact CG1-CG1 3.91Å; L51-V307 HydrophobicContact CD1-CB 4.23Å; L51-V307 HydrophobicContact CD1-CG1 3.62Å; F303-V307 HydrophobicContact CD1-CG2 4.38Å; F303-V307 HydrophobicContact CE1-CG2 4.02Å; F303-V307 HydrophobicContact CZ-CG2 4.18Å; F303-V307 WeakPolarHBondContact O-CG2 3.37Å; F303-V307 PolarHBondContact O-N 2.86Å; V304-V307 PolarHBondContact O-N 3.38Å; V307-R309 VanDerWaalsContact C-N 3.32Å; V307-R309 PolarHBondContact O-N 3.32Å; V307-G311 VanDerWaalsContact O-CA 3.31Å; V307-G311 WeakPolarHBondContact O-CA 3.45Å; V307-G311 PolarHBondContact O-N 2.72Å; V307-L312 HydrophobicContact CG1-CD2 3.97Å; V307-L312 HydrophobicContact CG1-CG 4.38Å; V307-V314 HydrophobicContact CG2-CG2 4.05Å; V307-F316 HydrophobicContact CG2-CE1 4.38Å
308L94.6Very high95.4Very high50 Ų5033.1 Ų33.126%0.26218%0.178SC..Hα-helixtrans-62.6-37.7178.3-71.7175.6000112.4L48 L51 V52 V304 E305L48-L308 HydrophobicContact CD1-CD2 3.53Å; L51-L308 HydrophobicContact CB-CD2 3.71Å; L51-L308 HydrophobicContact CB-CG 4.16Å; L51-L308 HydrophobicContact CD1-CD2 4.43Å; V52-L308 HydrophobicContact CG2-CD2 3.92Å; V304-L308 HydrophobicContact CG1-CD1 3.87Å; V304-L308 HydrophobicContact CG1-CG 4.4Å; V304-L308 WeakPolarHBondContact O-CG 3.4Å; V304-L308 PolarHBondContact O-N 3.09Å; E305-L308 PolarHBondContact O-N 2.82Å
309R92.6Very high95.4Very high76 Ų7632.7 Ų32.729%0.28718%0.177SC..Hα-helixtrans-84.3-38.2-179.6-68.7-170.6-169.7-159.90.8114.4E305 V307 Y367 Y369E305-R309 HydrophobicContact CG-CG 4.48Å; E305-R309 WeakPolarHBondContact O-CB 3.23Å; E305-R309 WeakPolarHBondContact O-CG 3.45Å; E305-R309 PolarHBondContact O-N 3.18Å; E305-R309 IonicContact OE1-CZ 2.62Å; E305-R309 VanDerWaalsContact OE1-CZ 3.23Å; E305-R309 IonicContact OE1-NE 3.23Å; E305-R309 PolarHBondContact OE1-NE 3.44Å; E305-R309 IonicContact OE1-NH2 3.23Å; E305-R309 PolarHBondContact OE1-NH2 2.92Å; V307-R309 VanDerWaalsContact C-N 3.32Å; V307-R309 PolarHBondContact O-N 3.32Å; R309-Y367 PolarHBondContact NH1-O 3.46Å; R309-Y369 PolarHBondContact NH1-O 2.78Å
310Y92.9Very high95.4Very high48 Ų4832.8 Ų32.819%0.18818%0.177CC..Hα-helixtrans-105.6-8-169.9-48.2-39.1000113.4S8 P10 S306 F316 L342 V370S8-Y310 PolarHBondContact O-OH 2.91Å; P10-Y310 HydrophobicContact CB-CD1 4.09Å; P10-Y310 HydrophobicContact CB-CD2 4.23Å; P10-Y310 HydrophobicContact CB-CG 3.9Å; P10-Y310 HydrophobicContact CG-CD1 4.09Å; P10-Y310 HydrophobicContact CG-CE1 4.22Å; P10-Y310 HydrophobicContact CG-CG 4.39Å; S306-Y310 WeakPolarHBondContact O-CB 3.48Å; S306-Y310 WeakPolarHBondContact O-CD2 3.39Å; S306-Y310 VanDerWaalsContact O-CG 3.31Å; S306-Y310 PolarHBondContact O-N 3.4Å; Y310-F316 HydrophobicContact CD2-CB 3.77Å; Y310-F316 HydrophobicContact CE2-CB 4.16Å; Y310-L342 HydrophobicContact CE1-CD1 4.31Å; Y310-V370 HydrophobicContact CE2-CG2 4.17Å; Y310-V370 PolarHBondContact OH-N 2.96Å
311G91.4Very high95.3Very high32 Ų3232.8 Ų32.833%0.3318%0.177SC..  trans76.8-163.6174.900000114.4V307V307-G311 VanDerWaalsContact O-CA 3.31Å; V307-G311 WeakPolarHBondContact O-CA 3.45Å; V307-G311 PolarHBondContact O-N 2.72Å
312L90.2Very high95.1Very high118 Ų11834.6 Ų34.662%0.61819%0.186SC*.SBendtrans-117.6150.6179.3-68.1177000111.2V45 V307 V314V45-L312 HydrophobicContact CG1-CD1 4.38Å; V45-L312 HydrophobicContact CG1-CD2 4.11Å; V45-L312 HydrophobicContact CG2-CD2 4.16Å; V307-L312 HydrophobicContact CG1-CD2 3.97Å; V307-L312 HydrophobicContact CG1-CG 4.38Å; L312-V314 HydrophobicContact CD2-CG2 3.74Å
313P91.3Very high94.9Very high114 Ų11435.3 Ų35.374%0.7419%0.191SC*.SBendcis-66.7156.9-2.630.5-36.6000112.7N315P313-N315 PolarHBondContact O-N 2.99Å
314V92Very high94.7Very high60 Ų6038.3 Ų38.336%0.36421%0.207SC..  trans-57.6112.7-178.8-179.30000109.8V45 F303 V307 L312 F316V45-V314 HydrophobicContact CG2-CG2 3.65Å; F303-V314 HydrophobicContact CE2-CG1 4.42Å; F303-V314 HydrophobicContact CZ-CG2 4.5Å; V307-V314 HydrophobicContact CG2-CG2 4.05Å; L312-V314 HydrophobicContact CD2-CG2 3.74Å; V314-F316 HydrophobicContact CG1-CD1 3.67Å; V314-F316 HydrophobicContact CG1-CE1 3.45Å; V314-F316 VanDerWaalsContact CG1-CE1 3.45Å; V314-F316 HydrophobicContact CG1-CZ 4.42Å
315N93.9Very high94.3Very high68 Ų6844.7 Ų44.736%0.36424%0.235SC..  trans-144.277.2-178.3179.231.2000110.5P10 G11 P313P10-N315 WeakPolarHBondContact CA-O 3.47Å; G11-N315 WeakPolarHBondContact CA-OD1 3.24Å; G11-N315 PolarHBondContact N-O 3.36Å; G11-N315 PolarHBondContact O-ND2 3.42Å; P313-N315 PolarHBondContact O-N 2.99Å
316F96Very high94Very high25 Ų2552.6 Ų52.611%0.1127%0.269CS..EExtended strand (participates in β ladder)trans-141.2161.517770.6-101.4000111.7S8 A9 C15 I40 V302 F303 V307 Y310 V314 A318S8-F316 WeakPolarHBondContact OG-CD2 3.33Å; A9-F316 CarbonylContact O-C 3.55Å; A9-F316 WeakPolarHBondContact O-CA 2.89Å; C15-F316 PolarHBondContact SG-O 3.21Å; I40-F316 HydrophobicContact CD1-CE2 4.37Å; V302-F316 HydrophobicContact CG1-CE2 4.44Å; F303-F316 HydrophobicContact CB-CZ 4.43Å; F303-F316 HydrophobicContact CD2-CE1 4.12Å; F303-F316 AromaticContact CD2-CZ 3.75Å; F303-F316 HydrophobicContact CD2-CZ 3.75Å; F303-F316 HydrophobicContact CE2-CE1 4.42Å; F303-F316 HydrophobicContact CE2-CZ 4.41Å; F303-F316 HydrophobicContact CG-CZ 4.38Å; V307-F316 HydrophobicContact CG2-CE1 4.38Å; Y310-F316 HydrophobicContact CD2-CB 3.77Å; Y310-F316 HydrophobicContact CE2-CB 4.16Å; V314-F316 HydrophobicContact CG1-CD1 3.67Å; V314-F316 HydrophobicContact CG1-CE1 3.45Å; V314-F316 VanDerWaalsContact CG1-CE1 3.45Å; V314-F316 HydrophobicContact CG1-CZ 4.42Å; F316-A318 HydrophobicContact CE2-CB 4.27Å
317Q97Very high93.8Very high22 Ų2254 Ų5410%0.10328%0.277CS..EExtended strand (participates in β ladder)trans-121.2110.2175.7-178.45976.200109.8S8 A9 C15 T18 W19 M319S8-Q317 WeakPolarHBondContact CA-O 3.12Å; A9-Q317 PolarHBondContact N-O 2.87Å; A9-Q317 PolarHBondContact O-N 2.86Å; C15-Q317 HydrophobicContact CB-CB 3.98Å; C15-Q317 HydrophobicContact CB-CG 4.47Å; C15-Q317 PolarHBondContact O-OE1 2.9Å; T18-Q317 HydrophobicContact CG2-CB 4.26Å; W19-Q317 HydrophobicContact CB-CG 4.1Å; Q317-M319 HydrophobicContact CB-CE 4.46Å; Q317-M319 HydrophobicContact CG-CE 4.32Å; Q317-M319 HydrophobicContact CG-CG 3.75Å; Q317-M319 HydrophobicContact CG-SD 3.85Å; Q317-M319 WeakPolarHBondContact O-CE 3.23Å
318A98Very high93.6Very high3 Ų356.4 Ų56.43%0.02529%0.29CS..EExtended strand (participates in β ladder)trans-79.4135.8170.300000110.7I7 F38 I40 V302 F316I7-A318 CarbonylContact O-C 3.13Å; I7-A318 WeakPolarHBondContact O-CA 3.26Å; F38-A318 HydrophobicContact CB-CB 4.25Å; F38-A318 HydrophobicContact CD1-CB 4.37Å; F38-A318 PolarHBondContact N-O 3.34Å; F38-A318 WeakPolarHBondContact O-CB 2.76Å; I40-A318 HydrophobicContact CD1-CB 3.8Å; I40-A318 HydrophobicContact CG1-CB 4.31Å; V302-A318 HydrophobicContact CG1-CB 3.87Å; F316-A318 HydrophobicContact CE2-CB 4.27Å
319M97.8Very high93.5Very high0 Ų061.9 Ų61.90%031%0.312CS..EExtended strand (participates in β ladder)trans-142.4138.7-171.5-60.1170.7-7700109.4I7 A9 T18 W19 L22 Q317 L321I7-M319 HydrophobicContact CD1-CE 4.41Å; I7-M319 HydrophobicContact CG1-CB 4.14Å; I7-M319 HydrophobicContact CG1-CE 4.36Å; I7-M319 PolarHBondContact N-O 3.04Å; I7-M319 PolarHBondContact O-N 3.46Å; A9-M319 HydrophobicContact CB-CE 4.23Å; T18-M319 HydrophobicContact CG2-CE 4.23Å; W19-M319 HydrophobicContact CB-SD 4.45Å; W19-M319 HydrophobicContact CE3-CB 4.44Å; W19-M319 HydrophobicContact CE3-CG 3.75Å; W19-M319 HydrophobicContact CE3-SD 3.74Å; W19-M319 HydrophobicContact CZ3-CB 4.38Å; W19-M319 HydrophobicContact CZ3-CG 4.17Å; W19-M319 HydrophobicContact CZ3-SD 4.45Å; L22-M319 HydrophobicContact CB-CE 4.46Å; L22-M319 HydrophobicContact CB-SD 3.94Å; L22-M319 HydrophobicContact CD2-CB 3.87Å; L22-M319 HydrophobicContact CD2-CE 3.94Å; L22-M319 HydrophobicContact CD2-CG 4.15Å; L22-M319 HydrophobicContact CD2-SD 3.32Å; L22-M319 WeakPolarHBondContact CD2-SD 3.49Å; L22-M319 HydrophobicContact CG-SD 4.19Å; Q317-M319 HydrophobicContact CB-CE 4.46Å; Q317-M319 HydrophobicContact CG-CE 4.32Å; Q317-M319 HydrophobicContact CG-CG 3.75Å; Q317-M319 HydrophobicContact CG-SD 3.85Å; Q317-M319 WeakPolarHBondContact O-CE 3.23Å; M319-L321 HydrophobicContact CB-CD1 4.27Å
320L97.6Very high93.6Very high2 Ų263 Ų631%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-104.2128.5176.4-171.981.2000109F4 L6 T35 S36 F38 I102 T103 I374F4-L320 HydrophobicContact CB-CD1 3.82Å; F4-L320 HydrophobicContact CB-CG 4.37Å; F4-L320 HydrophobicContact CD1-CD1 4.18Å; F4-L320 HydrophobicContact CD1-CD2 3.71Å; F4-L320 HydrophobicContact CD1-CG 3.88Å; F4-L320 HydrophobicContact CE1-CD2 4.04Å; F4-L320 HydrophobicContact CG-CD1 4.26Å; F4-L320 HydrophobicContact CG-CD2 4.46Å; F4-L320 HydrophobicContact CG-CG 4.46Å; L6-L320 HydrophobicContact CB-CD1 4.34Å; L6-L320 HydrophobicContact CD1-CD1 4.31Å; T35-L320 CarbonylContact C-O 3.46Å; T35-L320 WeakPolarHBondContact CA-O 3.38Å; S36-L320 PolarHBondContact N-O 3.2Å; S36-L320 PolarHBondContact O-N 3.26Å; F38-L320 HydrophobicContact CB-CB 4.44Å; I102-L320 HydrophobicContact CG2-CD1 3.69Å; I102-L320 HydrophobicContact CG2-CD2 3.58Å; I102-L320 HydrophobicContact CG2-CG 4.28Å; T103-L320 HydrophobicContact CG2-CD2 3.99Å; L320-I374 HydrophobicContact CD1-CD1 4.47Å
321L96.5Very high93.7Very high0 Ų060.7 Ų60.70%031%0.31CS..EExtended strand (participates in β ladder)trans-115.8132.1174.4-65.870.9000108F4 W5 I7 L22 T26 A33 V34 T35 M319 P323 L331 L335F4-L321 CarbonylContact C-O 3.36Å; F4-L321 WeakPolarHBondContact CA-O 3.3Å; W5-L321 HydrophobicContact CB-CB 4.25Å; W5-L321 PolarHBondContact N-O 2.75Å; W5-L321 PolarHBondContact O-N 3.23Å; I7-L321 HydrophobicContact CD1-CD1 3.57Å; I7-L321 HydrophobicContact CD1-CD2 4.34Å; I7-L321 HydrophobicContact CG1-CD1 3.6Å; I7-L321 HydrophobicContact CG2-CD1 4.41Å; L22-L321 HydrophobicContact CD2-CD1 3.91Å; L22-L321 HydrophobicContact CD2-CG 4.4Å; T26-L321 HydrophobicContact CG2-CD2 4.34Å; A33-L321 HydrophobicContact CB-CB 4.14Å; A33-L321 HydrophobicContact CB-CD2 4.44Å; V34-L321 CarbonylContact O-C 3.56Å; T35-L321 HydrophobicContact CG2-CG 3.98Å; M319-L321 HydrophobicContact CB-CD1 4.27Å; L321-P323 WeakPolarHBondContact O-CD 3.36Å; L321-L331 HydrophobicContact CD2-CD1 4.21Å; L321-L331 HydrophobicContact CD2-CD2 4.48Å; L321-L335 HydrophobicContact CD2-CD1 4.22Å; L321-L335 HydrophobicContact CD2-CD2 4.17Å
322Q94.9Very high93.8Very high62 Ų6261.4 Ų61.429%0.2930%0.302SS..EExtended strand (participates in β ladder)trans-102.197.2164.8-174-178.4-12.700107.5T2 F4 A33 V34T2-Q322 HydrophobicContact CG2-CG 4.08Å; F4-Q322 HydrophobicContact CD1-CB 3.82Å; F4-Q322 HydrophobicContact CD1-CG 4.22Å; F4-Q322 HydrophobicContact CE1-CB 3.73Å; F4-Q322 HydrophobicContact CE1-CG 3.89Å; F4-Q322 HydrophobicContact CZ-CG 4.47Å; A33-Q322 CarbonylContact C-O 3.4Å; A33-Q322 VanDerWaalsContact CA-O 3.23Å; A33-Q322 WeakPolarHBondContact CA-O 3.32Å; A33-Q322 WeakPolarHBondContact CB-O 3.49Å; V34-Q322 HydrophobicContact CB-CB 4.26Å; V34-Q322 PolarHBondContact N-O 3.12Å; V34-Q322 PolarHBondContact O-N 2.78Å
323P94.3Very high94Very high16 Ų1659.9 Ų59.910%0.10429%0.292CS..EExtended strand (participates in β ladder)trans-66.7144.6-174.7-2135000112.3E3 W5 L321 K325 L328 L331E3-P323 VanDerWaalsContact O-CD 3.26Å; E3-P323 WeakPolarHBondContact O-CD 3.14Å; W5-P323 HydrophobicContact CD2-CG 3.49Å; W5-P323 VanDerWaalsContact CD2-CG 3.49Å; W5-P323 VanDerWaalsContact CE2-CG 3.48Å; W5-P323 HydrophobicContact CE3-CG 4.03Å; W5-P323 HydrophobicContact CG-CG 3.74Å; W5-P323 HydrophobicContact CH2-CG 4.41Å; W5-P323 HydrophobicContact CZ2-CB 4.4Å; W5-P323 HydrophobicContact CZ2-CG 3.97Å; W5-P323 HydrophobicContact CZ3-CG 4.47Å; L321-P323 WeakPolarHBondContact O-CD 3.36Å; P323-K325 PolarHBondContact O-N 2.98Å; P323-L328 HydrophobicContact CB-CD2 3.42Å; P323-L328 VanDerWaalsContact CB-CD2 3.42Å; P323-L328 HydrophobicContact CG-CD2 4.19Å; P323-L331 HydrophobicContact CB-CD2 3.67Å; P323-L331 HydrophobicContact CG-CD2 3.95Å
324N92Very high94.2Very high67 Ų6755.2 Ų55.236%0.35826%0.262SS..  trans-76.4122.3164.2-180-13.6000109.1L32 K326 T327 L328L32-N324 WeakPolarHBondContact O-CB 3.43Å; L32-N324 PolarHBondContact O-N 2.94Å; N324-K326 PolarHBondContact O-N 3.26Å; N324-K326 PolarHBondContact OD1-N 3.33Å; N324-K326 VanDerWaalsContact OD1-N 3.09Å; N324-T327 WeakPolarHBondContact CB-OG1 2.94Å; N324-T327 PolarHBondContact O-N 2.86Å; N324-T327 PolarHBondContact O-OG1 3.42Å; N324-L328 PolarHBondContact O-N 3.37Å
325K89.3Confident94.4Very high136 Ų13652.4 Ų52.459%0.59124%0.244SC*.G310 helixtrans-53.8-31.6-177.5-67.3-170.8176.9-169.80113.4M1 P323 T327M1-K325 VanDerWaalsContact O-CE 3.24Å; M1-K325 WeakPolarHBondContact O-CE 3.21Å; M1-K325 PolarHBondContact O-NZ 3.38Å; M1-K325 VanDerWaalsContact O-NZ 3.13Å; P323-K325 PolarHBondContact O-N 2.98Å; K325-T327 VanDerWaalsContact C-N 3.3Å; K325-T327 PolarHBondContact O-N 2.81Å
326K91Very high94.4Very high198 Ų19853.5 Ų53.586%0.86125%0.247SC*.G310 helixtrans-74.4-19-178.7-62.6-175.8-179.8-178.80113.4N324N324-K326 PolarHBondContact O-N 3.26Å; N324-K326 PolarHBondContact OD1-N 3.33Å; N324-K326 VanDerWaalsContact OD1-N 3.09Å
327T90.9Very high94.3Very high29 Ų2957.7 Ų57.718%0.17827%0.267CS..G310 helixtrans-124.519.6-170.558.80000113L32 N324 K325 K329 K330 L331L32-T327 HydrophobicContact CD2-CG2 4.14Å; L32-T327 PolarHBondContact O-OG1 2.84Å; N324-T327 WeakPolarHBondContact CB-OG1 2.94Å; N324-T327 PolarHBondContact O-N 2.86Å; N324-T327 PolarHBondContact O-OG1 3.42Å; K325-T327 VanDerWaalsContact C-N 3.3Å; K325-T327 PolarHBondContact O-N 2.81Å; T327-K329 PolarHBondContact O-N 2.83Å; T327-K330 PolarHBondContact O-N 2.96Å; T327-K330 VanDerWaalsContact O-N 3.15Å; T327-L331 PolarHBondContact O-N 2.77Å
328L91.6Very high94.1Very high59 Ų5957.8 Ų57.831%0.30927%0.268SS..Hα-helixtrans-53.6-48.3-178.6-70.5170.8000112.8W5 P323 N324 K330 L331 R332W5-L328 HydrophobicContact CH2-CD2 4.07Å; W5-L328 HydrophobicContact CZ2-CD2 3.62Å; P323-L328 HydrophobicContact CB-CD2 3.42Å; P323-L328 VanDerWaalsContact CB-CD2 3.42Å; P323-L328 HydrophobicContact CG-CD2 4.19Å; N324-L328 PolarHBondContact O-N 3.37Å; L328-K330 PolarHBondContact O-N 3.27Å; L328-L331 PolarHBondContact O-N 2.81Å; L328-R332 PolarHBondContact O-N 2.76Å
329K92.3Very high94Very high164 Ų16457.8 Ų57.871%0.71327%0.267SS*.Hα-helixtrans-60.1-46.1178.3-173.3-178.8176.6-178.30111.4T327 L331 R332 E333T327-K329 PolarHBondContact O-N 2.83Å; K329-L331 VanDerWaalsContact C-N 3.34Å; K329-L331 PolarHBondContact O-N 2.78Å; K329-R332 WeakPolarHBondContact O-CB 3.34Å; K329-R332 PolarHBondContact O-N 2.8Å; K329-E333 WeakPolarHBondContact O-CG 3.43Å; K329-E333 PolarHBondContact O-N 3.1Å
330K94.3Very high93.7Very high100 Ų10061.8 Ų61.844%0.43529%0.285SS..Hα-helixtrans-65.3-37.8179-17356.4176.2177.50112.3L32 T327 L328 E333 V334L32-K330 HydrophobicContact CD1-CG 4.29Å; L32-K330 HydrophobicContact CD2-CB 4.05Å; L32-K330 HydrophobicContact CD2-CG 3.81Å; T327-K330 PolarHBondContact O-N 2.96Å; T327-K330 VanDerWaalsContact O-N 3.15Å; L328-K330 PolarHBondContact O-N 3.27Å; K330-E333 VanDerWaalsContact CD-OE2 3.24Å; K330-E333 WeakPolarHBondContact CD-OE2 3.31Å; K330-E333 IonicContact NZ-OE2 2.68Å; K330-E333 PolarHBondContact NZ-OE2 2.89Å; K330-E333 PolarHBondContact O-N 3.37Å; K330-V334 WeakPolarHBondContact O-CG2 3.31Å; K330-V334 PolarHBondContact O-N 3.1Å
331L95.1Very high93.4Very high0 Ų065.5 Ų65.50%030%0.302CS..Hα-helixtrans-61.2-44.5174.1-178.360.8000111.3W5 T26 L32 A33 L321 P323 T327 L328 K329 E333 V334 L335W5-L331 HydrophobicContact CE3-CD2 3.73Å; W5-L331 HydrophobicContact CE3-CG 4.27Å; W5-L331 HydrophobicContact CH2-CB 4.46Å; W5-L331 HydrophobicContact CH2-CD2 3.88Å; W5-L331 HydrophobicContact CH2-CG 4.25Å; W5-L331 HydrophobicContact CZ3-CB 4.23Å; W5-L331 HydrophobicContact CZ3-CD2 3.34Å; W5-L331 HydrophobicContact CZ3-CG 3.59Å; T26-L331 HydrophobicContact CG2-CD1 3.71Å; L32-L331 HydrophobicContact CB-CB 4.22Å; L32-L331 HydrophobicContact CB-CD1 3.84Å; L32-L331 HydrophobicContact CD1-CD1 4.32Å; A33-L331 HydrophobicContact CB-CD1 4.3Å; A33-L331 HydrophobicContact CB-CD2 3.93Å; L321-L331 HydrophobicContact CD2-CD1 4.21Å; L321-L331 HydrophobicContact CD2-CD2 4.48Å; P323-L331 HydrophobicContact CB-CD2 3.67Å; P323-L331 HydrophobicContact CG-CD2 3.95Å; T327-L331 PolarHBondContact O-N 2.77Å; L328-L331 PolarHBondContact O-N 2.81Å; K329-L331 VanDerWaalsContact C-N 3.34Å; K329-L331 PolarHBondContact O-N 2.78Å; L331-E333 PolarHBondContact O-N 3.42Å; L331-V334 PolarHBondContact O-N 2.9Å; L331-L335 HydrophobicContact CD1-CD1 4.32Å; L331-L335 HydrophobicContact CD1-CG 4.27Å; L331-L335 HydrophobicContact CG-CD1 4.14Å; L331-L335 HydrophobicContact CG-CG 4.48Å; L331-L335 VanDerWaalsContact O-CG 3.29Å; L331-L335 WeakPolarHBondContact O-CG 3.49Å; L331-L335 PolarHBondContact O-N 3.39Å
332R94.7Very high93Very high46 Ų4666.3 Ų66.317%0.17431%0.306CS..Hα-helixtrans-59.3-45.9174.4-70.2-61.8-170.6-169.1-1.9112.5W5 L328 K329 V334 L335 H336 E365 Y367 Y369 Y371W5-R332 HydrophobicContact CH2-CG 3.79Å; W5-R332 HydrophobicContact CZ3-CG 4.2Å; L328-R332 PolarHBondContact O-N 2.76Å; K329-R332 WeakPolarHBondContact O-CB 3.34Å; K329-R332 PolarHBondContact O-N 2.8Å; R332-V334 VanDerWaalsContact C-N 3.34Å; R332-V334 PolarHBondContact O-N 3.48Å; R332-L335 PolarHBondContact O-N 3.25Å; R332-H336 WeakPolarHBondContact O-CB 3.2Å; R332-H336 PolarHBondContact O-N 3.39Å; R332-E365 IonicContact NH2-OE2 2.84Å; R332-Y367 VanDerWaalsContact CZ-CZ 3.41Å; R332-Y367 PolarHBondContact NE-OH 2.8Å; R332-Y367 VanDerWaalsContact NH1-CZ 3.33Å; R332-Y367 PolarHBondContact NH2-OH 3.12Å; R332-Y369 PolarHBondContact NH1-OH 3.23Å; R332-Y371 PolarHBondContact NH2-OH 3.02Å
333E94.2Very high92.4Very high86 Ų8665.9 Ų65.940%0.40231%0.306SS..Hα-helixtrans-58-45.5176.7-70.1167.9-166.600111.8K329 K330 L331 H336 E337K329-E333 WeakPolarHBondContact O-CG 3.43Å; K329-E333 PolarHBondContact O-N 3.1Å; K330-E333 VanDerWaalsContact CD-OE2 3.24Å; K330-E333 WeakPolarHBondContact CD-OE2 3.31Å; K330-E333 IonicContact NZ-OE2 2.68Å; K330-E333 PolarHBondContact NZ-OE2 2.89Å; K330-E333 PolarHBondContact O-N 3.37Å; L331-E333 PolarHBondContact O-N 3.42Å; E333-H336 PolarHBondContact O-N 2.87Å; E333-E337 WeakPolarHBondContact O-CB 3.11Å; E333-E337 PolarHBondContact O-N 3.24Å
334V95Very high91.3Very high17 Ų1769.4 Ų69.410%0.10333%0.331CS..Hα-helixtrans-64.9-43.6178.8169.30000111.6A25 L32 K330 L331 R332 E337 L338A25-V334 HydrophobicContact CB-CG1 3.82Å; L32-V334 HydrophobicContact CD1-CB 4.14Å; L32-V334 HydrophobicContact CD1-CG1 4.48Å; L32-V334 HydrophobicContact CD1-CG2 3.75Å; K330-V334 WeakPolarHBondContact O-CG2 3.31Å; K330-V334 PolarHBondContact O-N 3.1Å; L331-V334 PolarHBondContact O-N 2.9Å; R332-V334 VanDerWaalsContact C-N 3.34Å; R332-V334 PolarHBondContact O-N 3.48Å; V334-E337 PolarHBondContact O-N 2.99Å; V334-L338 HydrophobicContact CG1-CD1 4.27Å; V334-L338 VanDerWaalsContact O-CG 3.29Å; V334-L338 WeakPolarHBondContact O-CG 3.46Å; V334-L338 PolarHBondContact O-N 3.39Å
335L95.5Very high89.6Confident0 Ų069.3 Ų69.30%034%0.335CS..Hα-helixtrans-64.8-41.2176.8-66.9175000111.8W5 I7 L22 L321 L331 R332 L338 Y339 Y369W5-L335 HydrophobicContact CE3-CD1 3.91Å; W5-L335 HydrophobicContact CZ3-CD1 3.86Å; I7-L335 HydrophobicContact CD1-CD2 4.07Å; L22-L335 HydrophobicContact CD1-CD2 3.34Å; L321-L335 HydrophobicContact CD2-CD1 4.22Å; L321-L335 HydrophobicContact CD2-CD2 4.17Å; L331-L335 HydrophobicContact CD1-CD1 4.32Å; L331-L335 HydrophobicContact CD1-CG 4.27Å; L331-L335 HydrophobicContact CG-CD1 4.14Å; L331-L335 HydrophobicContact CG-CG 4.48Å; L331-L335 VanDerWaalsContact O-CG 3.29Å; L331-L335 WeakPolarHBondContact O-CG 3.49Å; L331-L335 PolarHBondContact O-N 3.39Å; R332-L335 PolarHBondContact O-N 3.25Å; L335-L338 PolarHBondContact O-N 3.2Å; L335-Y339 HydrophobicContact CD2-CE2 4.14Å; L335-Y339 WeakPolarHBondContact O-CD2 3.33Å; L335-Y339 PolarHBondContact O-N 3.09Å; L335-Y339 VanDerWaalsContact O-N 3.16Å; L335-Y369 HydrophobicContact CB-CE1 3.73Å; L335-Y369 WeakPolarHBondContact CB-OH 3.41Å; L335-Y369 HydrophobicContact CD1-CE2 4.44Å; L335-Y369 VanDerWaalsContact CD1-OH 3.3Å; L335-Y369 WeakPolarHBondContact CD1-OH 3.33Å
336H93.7Very high87.9Confident91 Ų9164.3 Ų64.342%0.42132%0.32SS..Hα-helixtrans-61.9-46.8175.2-178.471.7000111R332 E333 L338 Y339 K340R332-H336 WeakPolarHBondContact O-CB 3.2Å; R332-H336 PolarHBondContact O-N 3.39Å; E333-H336 PolarHBondContact O-N 2.87Å; H336-L338 VanDerWaalsContact C-N 3.3Å; H336-L338 PolarHBondContact O-N 3.32Å; H336-Y339 PolarHBondContact O-N 3.26Å; H336-Y339 VanDerWaalsContact O-N 3.16Å; H336-K340 WeakPolarHBondContact O-CA 3.11Å; H336-K340 VanDerWaalsContact O-CB 3.24Å; H336-K340 WeakPolarHBondContact O-CB 3.45Å; H336-K340 PolarHBondContact O-N 3.32Å
337E94.1Very high85.7Confident113 Ų11357.6 Ų57.653%0.52830%0.301SS..Hα-helixtrans-61.3-38.5178.2-172.857.6-149.700112.6E333 V334 Y339 K340E333-E337 WeakPolarHBondContact O-CB 3.11Å; E333-E337 PolarHBondContact O-N 3.24Å; V334-E337 PolarHBondContact O-N 2.99Å; E337-Y339 VanDerWaalsContact C-N 3.32Å; E337-Y339 PolarHBondContact O-N 3.3Å; E337-K340 VanDerWaalsContact OE1-CE 3.26Å; E337-K340 WeakPolarHBondContact OE1-CE 3.34Å; E337-K340 IonicContact OE1-NZ 3.91Å; E337-K340 PolarHBondContact OE1-NZ 3.26Å; E337-K340 WeakPolarHBondContact OE2-CE 3.47Å; E337-K340 IonicContact OE2-NZ 2.69Å; E337-K340 PolarHBondContact OE2-NZ 3.19Å
338L93.8Very high83.6Confident24 Ų2459.8 Ų59.813%0.12632%0.322CS..Hα-helixtrans-63.9-36.1176.8-75.8174000113K21 L22 A25 V334 L335 H336 H341K21-L338 HydrophobicContact CD-CD2 4.18Å; K21-L338 HydrophobicContact CG-CD2 3.95Å; L22-L338 HydrophobicContact CD1-CD1 4.18Å; A25-L338 HydrophobicContact CB-CD1 3.74Å; A25-L338 HydrophobicContact CB-CD2 4.19Å; A25-L338 HydrophobicContact CB-CG 4.32Å; V334-L338 HydrophobicContact CG1-CD1 4.27Å; V334-L338 VanDerWaalsContact O-CG 3.29Å; V334-L338 WeakPolarHBondContact O-CG 3.46Å; V334-L338 PolarHBondContact O-N 3.39Å; L335-L338 PolarHBondContact O-N 3.2Å; H336-L338 VanDerWaalsContact C-N 3.3Å; H336-L338 PolarHBondContact O-N 3.32Å; L338-H341 PolarHBondContact O-CE1 3.34Å; L338-H341 PolarHBondContact O-ND1 2.9Å; L338-H341 VanDerWaalsContact O-ND1 3.11Å
339Y94.6Very high81.4Confident3 Ų362.6 Ų62.61%0.01234%0.336CS..Hα-helixtrans-122.4-3.2-163.5-60.4-55.2000115.3I7 A9 L22 L335 H336 E337 H341 L342 P368 Y369I7-Y339 HydrophobicContact CD1-CE2 4.5Å; A9-Y339 HydrophobicContact CB-CD1 3.99Å; A9-Y339 HydrophobicContact CB-CE1 3.39Å; A9-Y339 HydrophobicContact CB-CE2 4.5Å; L22-Y339 HydrophobicContact CD1-CE2 4.06Å; L335-Y339 HydrophobicContact CD2-CE2 4.14Å; L335-Y339 WeakPolarHBondContact O-CD2 3.33Å; L335-Y339 PolarHBondContact O-N 3.09Å; L335-Y339 VanDerWaalsContact O-N 3.16Å; H336-Y339 PolarHBondContact O-N 3.26Å; H336-Y339 VanDerWaalsContact O-N 3.16Å; E337-Y339 VanDerWaalsContact C-N 3.32Å; E337-Y339 PolarHBondContact O-N 3.3Å; Y339-H341 PolarHBondContact O-N 3.12Å; Y339-L342 HydrophobicContact CD1-CD1 4.15Å; Y339-L342 HydrophobicContact CG-CD1 4.42Å; Y339-L342 VanDerWaalsContact O-CB 3.26Å; Y339-L342 WeakPolarHBondContact O-CB 3.42Å; Y339-L342 VanDerWaalsContact O-CG 3.31Å; Y339-L342 WeakPolarHBondContact O-CG 3.45Å; Y339-L342 PolarHBondContact O-N 2.99Å; Y339-P368 WeakPolarHBondContact O-CB 3.49Å; Y339-Y369 AromaticContact CD2-CD1 3.51Å; Y339-Y369 HydrophobicContact CD2-CD1 3.51Å; Y339-Y369 HydrophobicContact CD2-CE1 4.13Å; Y339-Y369 AromaticContact CD2-CG 3.89Å; Y339-Y369 HydrophobicContact CD2-CG 3.89Å; Y339-Y369 HydrophobicContact CE2-CD1 4.48Å; Y339-Y369 AromaticContact CG-CD1 4Å; Y339-Y369 HydrophobicContact CG-CD1 4Å; Y339-Y369 HydrophobicContact CG-CG 4.4Å
340K92.6Very high78.9Confident85 Ų8560.5 Ų60.537%0.3733%0.332SS..THydrogen-bonded Turntrans-53.8-26.3178.163.3-178.3-179.6-170.40114.3H336 E337 L342 D343H336-K340 WeakPolarHBondContact O-CA 3.11Å; H336-K340 VanDerWaalsContact O-CB 3.24Å; H336-K340 WeakPolarHBondContact O-CB 3.45Å; H336-K340 PolarHBondContact O-N 3.32Å; E337-K340 VanDerWaalsContact OE1-CE 3.26Å; E337-K340 WeakPolarHBondContact OE1-CE 3.34Å; E337-K340 IonicContact OE1-NZ 3.91Å; E337-K340 PolarHBondContact OE1-NZ 3.26Å; E337-K340 WeakPolarHBondContact OE2-CE 3.47Å; E337-K340 IonicContact OE2-NZ 2.69Å; E337-K340 PolarHBondContact OE2-NZ 3.19Å; K340-L342 PolarHBondContact O-N 3.19Å; K340-D343 WeakPolarHBondContact O-CB 3.32Å; K340-D343 PolarHBondContact O-N 3.05Å
341H90.5Very high76.1Confident79 Ų7962.8 Ų62.837%0.36635%0.349SS..Hα-helixtrans-64.7-22176.666.7-86.9000112.9L338 Y339 D343 S344L338-H341 PolarHBondContact O-CE1 3.34Å; L338-H341 PolarHBondContact O-ND1 2.9Å; L338-H341 VanDerWaalsContact O-ND1 3.11Å; Y339-H341 PolarHBondContact O-N 3.12Å; H341-D343 VanDerWaalsContact C-N 3.26Å; H341-D343 PolarHBondContact O-N 3.42Å; H341-S344 PolarHBondContact O-N 2.89Å
342L89.3Confident73.3Confident17 Ų1765.7 Ų65.79%0.08937%0.373CS..Hα-helixtrans-68.4-24.2176.8-59.3179.6000112.4P10 Y310 Y339 K340 S344 S345 A346 P368P10-L342 HydrophobicContact CG-CD1 4.19Å; P10-L342 HydrophobicContact CG-CD2 3.56Å; Y310-L342 HydrophobicContact CE1-CD1 4.31Å; Y339-L342 HydrophobicContact CD1-CD1 4.15Å; Y339-L342 HydrophobicContact CG-CD1 4.42Å; Y339-L342 VanDerWaalsContact O-CB 3.26Å; Y339-L342 WeakPolarHBondContact O-CB 3.42Å; Y339-L342 VanDerWaalsContact O-CG 3.31Å; Y339-L342 WeakPolarHBondContact O-CG 3.45Å; Y339-L342 PolarHBondContact O-N 2.99Å; K340-L342 PolarHBondContact O-N 3.19Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S344 PolarHBondContact O-N 3.07Å; L342-S345 PolarHBondContact O-N 3.35Å; L342-A346 PolarHBondContact O-N 3.13Å; L342-P368 HydrophobicContact CB-CB 4.16Å; L342-P368 WeakPolarHBondContact CB-O 3.45Å; L342-P368 WeakPolarHBondContact CD1-O 3.5Å
343D82.4Confident70.3Confident53 Ų5369.7 Ų69.728%0.28341%0.405SS..Hα-helixtrans-64.8-38.8176-68.5-20000111.2K340 H341 S345 A346 A347 Y366 P368K340-D343 WeakPolarHBondContact O-CB 3.32Å; K340-D343 PolarHBondContact O-N 3.05Å; H341-D343 VanDerWaalsContact C-N 3.26Å; H341-D343 PolarHBondContact O-N 3.42Å; D343-S345 VanDerWaalsContact C-N 3.31Å; D343-S345 PolarHBondContact O-N 2.96Å; D343-A346 PolarHBondContact O-N 3.46Å; D343-A347 PolarHBondContact O-N 3.19Å; D343-Y366 WeakPolarHBondContact OD1-CE1 3.27Å; D343-Y366 PolarHBondContact OD1-OH 3Å; D343-P368 WeakPolarHBondContact OD1-CA 3.09Å; D343-P368 VanDerWaalsContact OD1-CB 3.25Å; D343-P368 WeakPolarHBondContact OD1-CB 3.35Å; D343-P368 WeakPolarHBondContact OD1-CG 3.4Å
344S69.7Low67.6Low90 Ų9072 Ų7263%0.62942%0.417SS*.Hα-helixtrans-67.7-32.5176.1-53.90000112.1H341 L342 A348H341-S344 PolarHBondContact O-N 2.89Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S344 PolarHBondContact O-N 3.07Å; S344-A348 PolarHBondContact O-N 3.05Å
345S57.8Low64.8Low65 Ų6579 Ų7946%0.45545%0.454SS..Hα-helixtrans-73.7-37.7174.9-60.20000112.7L342 D343 A348 I349L342-S345 PolarHBondContact O-N 3.35Å; D343-S345 VanDerWaalsContact C-N 3.31Å; D343-S345 PolarHBondContact O-N 2.96Å; S345-A348 PolarHBondContact O-N 2.87Å; S345-I349 PolarHBondContact O-N 3.04Å
346A52Low62.3Low32 Ų3283.6 Ų83.626%0.26448%0.478SS..Hα-helixtrans-67.4-41.2176.800000111.6L342 D343 A348 I349 I350L342-A346 PolarHBondContact O-N 3.13Å; D343-A346 PolarHBondContact O-N 3.46Å; A346-A348 VanDerWaalsContact C-N 3.3Å; A346-A348 PolarHBondContact O-N 2.75Å; A346-I349 PolarHBondContact O-N 3.18Å; A346-I350 WeakPolarHBondContact O-CD1 3.29Å; A346-I350 VanDerWaalsContact O-CG1 3.28Å; A346-I350 WeakPolarHBondContact O-CG1 3.41Å; A346-I350 PolarHBondContact O-N 2.83Å; A346-I350 VanDerWaalsContact O-N 3.13Å
347A46.7Very low59.4Low56 Ų5685.3 Ų85.346%0.46350%0.497SS..Hα-helixtrans-60.6-38.5173.500000112.3D343 I349 I350 D351D343-A347 PolarHBondContact O-N 3.19Å; A347-I349 VanDerWaalsContact C-N 3.28Å; A347-I349 PolarHBondContact O-N 2.96Å; A347-I350 PolarHBondContact O-N 2.78Å; A347-D351 PolarHBondContact O-N 2.63Å
348A46.6Very low57.1Low76 Ų7683.4 Ų83.463%0.62851%0.507SS*.Hα-helixtrans-67.8-22.9177.800000114.3S344 S345 A346S344-A348 PolarHBondContact O-N 3.05Å; S345-A348 PolarHBondContact O-N 2.87Å; A346-A348 VanDerWaalsContact C-N 3.3Å; A346-A348 PolarHBondContact O-N 2.75Å
349I45.8Very low54.5Low118 Ų11888.1 Ų88.161%0.60553%0.532SS*.Hα-helixtrans-84.6-31.5173.8-62168.9000110.7S345 A346 A347S345-I349 PolarHBondContact O-N 3.04Å; A346-I349 PolarHBondContact O-N 3.18Å; A347-I349 VanDerWaalsContact C-N 3.28Å; A347-I349 PolarHBondContact O-N 2.96Å
350I39.7Very low51.9Low120 Ų12095.1 Ų95.162%0.61557%0.57SS**Hα-helixtrans-83.2-14-177.8-63.4167000112.5A346 A347 A352A346-I350 WeakPolarHBondContact O-CD1 3.29Å; A346-I350 VanDerWaalsContact O-CG1 3.28Å; A346-I350 WeakPolarHBondContact O-CG1 3.41Å; A346-I350 PolarHBondContact O-N 2.83Å; A346-I350 VanDerWaalsContact O-N 3.13Å; A347-I350 PolarHBondContact O-N 2.78Å; I350-A352 CarbonylContact O-C 3.59Å; I350-A352 PolarHBondContact O-N 2.97Å
351D34.2Very low49.6Very low147 Ų14795.9 Ų95.979%0.78658%0.577SS**THydrogen-bonded Turntrans-70.66.4173.9-106.4-7.2000114.5A347 P353A347-D351 PolarHBondContact O-N 2.63Å; D351-P353 WeakPolarHBondContact O-CD 3.43Å
352A35.8Very low47.1Very low62 Ų6297 Ų9751%0.51259%0.594SS.*THydrogen-bonded Turntrans-79.8110.4149.400000106.9I350 M354I350-A352 CarbonylContact O-C 3.59Å; I350-A352 PolarHBondContact O-N 2.97Å; A352-M354 VanDerWaalsContact C-N 3.29Å; A352-M354 PolarHBondContact O-N 2.92Å
353P32.2Very low45Very low130 Ų130105 Ų10584%0.84463%0.631SS**THydrogen-bonded Turntrans-63.891.2-169.627.8-34.4000109.8D351D351-P353 WeakPolarHBondContact O-CD 3.43Å
354M37.2Very low43.7Very low135 Ų135109.4 Ų109.467%0.66565%0.65SS**  trans-11984.4166.5-71.1-156.672.400105.7A352 I356A352-M354 VanDerWaalsContact C-N 3.29Å; A352-M354 PolarHBondContact O-N 2.92Å; M354-I356 HydrophobicContact CB-CD1 4.34Å; M354-I356 HydrophobicContact CB-CG1 3.89Å; M354-I356 HydrophobicContact CE-CD1 4.34Å; M354-I356 HydrophobicContact CE-CG1 4.18Å; M354-I356 PolarHBondContact O-N 3.39Å
355D36.2Very low43.7Very low163 Ų163111.6 Ų111.687%0.87265%0.65SS**  trans-56.698.4149.9-86.3-36.1000106.1P357D355-P357 VanDerWaalsContact O-CD 3.26Å; D355-P357 WeakPolarHBondContact O-CD 3.43Å
356I43.3Very low44.9Very low97 Ų97114.2 Ų114.250%0.49765%0.651SS.*  trans-93.8104171.9-58-180000107M354 G358M354-I356 HydrophobicContact CB-CD1 4.34Å; M354-I356 HydrophobicContact CB-CG1 3.89Å; M354-I356 HydrophobicContact CE-CD1 4.34Å; M354-I356 HydrophobicContact CE-CG1 4.18Å; M354-I356 PolarHBondContact O-N 3.39Å; I356-G358 PolarHBondContact O-N 3.03Å
357P32.4Very low46.8Very low126 Ų126114.5 Ų114.582%0.81865%0.645SS**THydrogen-bonded Turntrans-66.4124.5176-14.731.5000109.3D355D355-P357 VanDerWaalsContact O-CD 3.26Å; D355-P357 WeakPolarHBondContact O-CD 3.43Å
358G45.6Very low48.9Very low73 Ų73112.1 Ų112.175%0.75363%0.625SS**THydrogen-bonded Turntrans124.9-11178.600000115.3I356 N360I356-G358 PolarHBondContact O-N 3.03Å; G358-N360 PolarHBondContact O-N 3.24Å
359L39.9Very low51.1Low124 Ų124108.6 Ų108.665%0.64960%0.596SS**  trans-7980.1178.1-144.780.5000111.1L361L359-L361 VanDerWaalsContact C-N 3.35Å; L359-L361 HydrophobicContact CB-CD1 4.26Å; L359-L361 HydrophobicContact CD2-CD1 3.37Å; L359-L361 HydrophobicContact CG-CD1 3.62Å; L359-L361 PolarHBondContact O-N 3.3Å
360N39.8Very low53.5Low149 Ų149103 Ų10380%0.79757%0.567SS**  trans-7182.2175-91.3-26.7000111.4G358 S362G358-N360 PolarHBondContact O-N 3.24Å; N360-S362 VanDerWaalsContact C-N 3.26Å; N360-S362 PolarHBondContact O-N 3.06Å
361L44.7Very low56.2Low102 Ų10298.9 Ų98.953%0.53454%0.544SS..  trans-74.4-11.2171.4-93.887.2000113.9L359 Q363 Y366L359-L361 VanDerWaalsContact C-N 3.35Å; L359-L361 HydrophobicContact CB-CD1 4.26Å; L359-L361 HydrophobicContact CD2-CD1 3.37Å; L359-L361 HydrophobicContact CG-CD1 3.62Å; L359-L361 PolarHBondContact O-N 3.3Å; L361-Q363 PolarHBondContact O-N 3.02Å; L361-Y366 HydrophobicContact CD2-CD2 4.11Å; L361-Y366 HydrophobicContact CD2-CE2 4.39Å
362S38.5Very low59.2Low101 Ų10193 Ų9371%0.70651%0.511SS*.THydrogen-bonded Turntrans-77.9-4.3-160.657.70000117N360N360-S362 VanDerWaalsContact C-N 3.26Å; N360-S362 PolarHBondContact O-N 3.06Å
363Q43.9Very low62Low186 Ų18694.1 Ų94.187%0.86950%0.504SS*.THydrogen-bonded Turntrans-121.1-5.3-176.1-68.2-171.8-7.500115.5L361L361-Q363 PolarHBondContact O-N 3.02Å
364Q55.1Low65.1Low146 Ų14688 Ų8868%0.68246%0.464SS*.SBendtrans-108.9143.5178.4-68.6-175.51400110.9Y366Q364-Y366 PolarHBondContact O-N 2.9Å
365E71.3Confident67.7Low136 Ų13683.6 Ų83.664%0.63644%0.443SS*.  trans-58.2108.3170.4-67.2-177.8165.800109.1R332 Y367R332-E365 IonicContact NH2-OE2 2.84Å; E365-Y367 HydrophobicContact CB-CD2 4.41Å; E365-Y367 HydrophobicContact CB-CE2 3.52Å; E365-Y367 WeakPolarHBondContact O-CD2 3.36Å; E365-Y367 WeakPolarHBondContact O-CE2 3.43Å; E365-Y367 PolarHBondContact OE2-OH 2.91Å
366Y82Confident70.2Confident119 Ų11976.7 Ų76.747%0.46741%0.408SS..  trans-78.9136.5177.3177-94.5000110.6D343 L361 Q364D343-Y366 WeakPolarHBondContact OD1-CE1 3.27Å; D343-Y366 PolarHBondContact OD1-OH 3Å; L361-Y366 HydrophobicContact CD2-CD2 4.11Å; L361-Y366 HydrophobicContact CD2-CE2 4.39Å; Q364-Y366 PolarHBondContact O-N 2.9Å
367Y91Very high72.4Confident38 Ų3874.5 Ų74.515%0.14940%0.397CS..  trans-132.6144.4173.2-61.4-76.9000109.5R309 R332 E365 Y369 Y371R309-Y367 PolarHBondContact NH1-O 3.46Å; R332-Y367 VanDerWaalsContact CZ-CZ 3.41Å; R332-Y367 PolarHBondContact NE-OH 2.8Å; R332-Y367 VanDerWaalsContact NH1-CZ 3.33Å; R332-Y367 PolarHBondContact NH2-OH 3.12Å; E365-Y367 HydrophobicContact CB-CD2 4.41Å; E365-Y367 HydrophobicContact CB-CE2 3.52Å; E365-Y367 WeakPolarHBondContact O-CD2 3.36Å; E365-Y367 WeakPolarHBondContact O-CE2 3.43Å; E365-Y367 PolarHBondContact OE2-OH 2.91Å; Y367-Y369 CarbonylContact C-O 3.35Å; Y367-Y369 WeakPolarHBondContact CB-O 3.27Å; Y367-Y369 HydrophobicContact CD1-CE1 4.23Å; Y367-Y369 AromaticContact CD1-CZ 3.96Å; Y367-Y369 HydrophobicContact CG-CE1 4.38Å; Y367-Y369 HydrophobicContact CG-CE2 4.37Å; Y367-Y369 PolarHBondContact O-N 3.42Å; Y367-Y369 VanDerWaalsContact O-N 3.08Å; Y367-Y369 VanDerWaalsContact O-O 3.1Å; Y367-Y371 AromaticContact CD2-CD1 3.61Å; Y367-Y371 HydrophobicContact CD2-CD1 3.61Å; Y367-Y371 HydrophobicContact CD2-CE1 4.44Å; Y367-Y371 AromaticContact CD2-CG 3.67Å; Y367-Y371 HydrophobicContact CD2-CG 3.67Å; Y367-Y371 AromaticContact CE2-CD1 3.48Å; Y367-Y371 HydrophobicContact CE2-CD1 3.48Å; Y367-Y371 VanDerWaalsContact CE2-CD1 3.48Å; Y367-Y371 AromaticContact CE2-CE1 3.87Å; Y367-Y371 HydrophobicContact CE2-CE1 3.87Å; Y367-Y371 AromaticContact CE2-CG 3.89Å; Y367-Y371 HydrophobicContact CE2-CG 3.89Å
368P90.7Very high75Confident7 Ų769 Ų695%0.04536%0.361CS..SBendtrans-59.9-19.7176.9-2332000113.5Y339 L342 D343Y339-P368 WeakPolarHBondContact O-CB 3.49Å; L342-P368 HydrophobicContact CB-CB 4.16Å; L342-P368 WeakPolarHBondContact CB-O 3.45Å; L342-P368 WeakPolarHBondContact CD1-O 3.5Å; D343-P368 WeakPolarHBondContact OD1-CA 3.09Å; D343-P368 VanDerWaalsContact OD1-CB 3.25Å; D343-P368 WeakPolarHBondContact OD1-CB 3.35Å; D343-P368 WeakPolarHBondContact OD1-CG 3.4Å
369Y94.4Very high76.8Confident1 Ų166.3 Ų66.30%0.00433%0.329CS..SBendtrans-110.1154.9175.756.4-87.8000110I7 R309 R332 L335 Y339 Y367 Y371I7-Y369 HydrophobicContact CB-CD2 3.95Å; I7-Y369 HydrophobicContact CB-CE2 4.19Å; I7-Y369 HydrophobicContact CG2-CD2 4.02Å; I7-Y369 HydrophobicContact CG2-CE2 3.75Å; R309-Y369 PolarHBondContact NH1-O 2.78Å; R332-Y369 PolarHBondContact NH1-OH 3.23Å; L335-Y369 HydrophobicContact CB-CE1 3.73Å; L335-Y369 WeakPolarHBondContact CB-OH 3.41Å; L335-Y369 HydrophobicContact CD1-CE2 4.44Å; L335-Y369 VanDerWaalsContact CD1-OH 3.3Å; L335-Y369 WeakPolarHBondContact CD1-OH 3.33Å; Y339-Y369 AromaticContact CD2-CD1 3.51Å; Y339-Y369 HydrophobicContact CD2-CD1 3.51Å; Y339-Y369 HydrophobicContact CD2-CE1 4.13Å; Y339-Y369 AromaticContact CD2-CG 3.89Å; Y339-Y369 HydrophobicContact CD2-CG 3.89Å; Y339-Y369 HydrophobicContact CE2-CD1 4.48Å; Y339-Y369 AromaticContact CG-CD1 4Å; Y339-Y369 HydrophobicContact CG-CD1 4Å; Y339-Y369 HydrophobicContact CG-CG 4.4Å; Y367-Y369 CarbonylContact C-O 3.35Å; Y367-Y369 WeakPolarHBondContact CB-O 3.27Å; Y367-Y369 HydrophobicContact CD1-CE1 4.23Å; Y367-Y369 AromaticContact CD1-CZ 3.96Å; Y367-Y369 HydrophobicContact CG-CE1 4.38Å; Y367-Y369 HydrophobicContact CG-CE2 4.37Å; Y367-Y369 PolarHBondContact O-N 3.42Å; Y367-Y369 VanDerWaalsContact O-N 3.08Å; Y367-Y369 VanDerWaalsContact O-O 3.1Å; Y369-Y371 HydrophobicContact CE2-CD2 4.23Å; Y369-Y371 PolarHBondContact O-N 3.12Å
370V95.8Very high78.1Confident0 Ų068.4 Ų68.40%034%0.336CS..EExtended strand (participates in β ladder)trans-62.4131.5173.8176.90000109.5I7 S8 E305 Y310 Y372I7-V370 CarbonylContact C-O 3.58Å; I7-V370 WeakPolarHBondContact CA-O 3.46Å; I7-V370 WeakPolarHBondContact CB-O 3.26Å; S8-V370 PolarHBondContact N-O 3.24Å; S8-V370 PolarHBondContact O-N 3.47Å; S8-V370 VanDerWaalsContact O-N 3.16Å; E305-V370 HydrophobicContact CB-CG1 3.93Å; E305-V370 HydrophobicContact CB-CG2 4.09Å; E305-V370 HydrophobicContact CG-CB 4.33Å; E305-V370 HydrophobicContact CG-CG1 3.85Å; E305-V370 HydrophobicContact CG-CG2 3.65Å; Y310-V370 HydrophobicContact CE2-CG2 4.17Å; Y310-V370 PolarHBondContact OH-N 2.96Å; V370-Y372 HydrophobicContact CG1-CD2 4.1Å; V370-Y372 HydrophobicContact CG1-CE2 3.64Å
371Y96.1Very high79.1Confident35 Ų3566.6 Ų66.614%0.13732%0.321CS..EExtended strand (participates in β ladder)trans-140.2128-175.8171.4-98.1000111.6W5 I7 R332 Y367 Y369 K373W5-Y371 HydrophobicContact CB-CD2 4.4Å; W5-Y371 HydrophobicContact CB-CE2 3.73Å; W5-Y371 AromaticContact CD1-CE2 3.84Å; W5-Y371 AromaticContact CD2-CE2 3.84Å; W5-Y371 HydrophobicContact CD2-CE2 3.84Å; W5-Y371 HydrophobicContact CE3-CE2 4.33Å; W5-Y371 AromaticContact CG-CE2 3.53Å; W5-Y371 HydrophobicContact CG-CE2 3.53Å; W5-Y371 PolarHBondContact NE1-OH 2.69Å; I7-Y371 HydrophobicContact CG2-CD2 3.9Å; R332-Y371 PolarHBondContact NH2-OH 3.02Å; Y367-Y371 AromaticContact CD2-CD1 3.61Å; Y367-Y371 HydrophobicContact CD2-CD1 3.61Å; Y367-Y371 HydrophobicContact CD2-CE1 4.44Å; Y367-Y371 AromaticContact CD2-CG 3.67Å; Y367-Y371 HydrophobicContact CD2-CG 3.67Å; Y367-Y371 AromaticContact CE2-CD1 3.48Å; Y367-Y371 HydrophobicContact CE2-CD1 3.48Å; Y367-Y371 VanDerWaalsContact CE2-CD1 3.48Å; Y367-Y371 AromaticContact CE2-CE1 3.87Å; Y367-Y371 HydrophobicContact CE2-CE1 3.87Å; Y367-Y371 AromaticContact CE2-CG 3.89Å; Y367-Y371 HydrophobicContact CE2-CG 3.89Å; Y369-Y371 HydrophobicContact CE2-CD2 4.23Å; Y369-Y371 PolarHBondContact O-N 3.12Å; Y371-K373 HydrophobicContact CE1-CB 4.38Å
372Y97Very high79.1Confident22 Ų2274.7 Ų74.79%0.08635%0.352CS..EExtended strand (participates in β ladder)trans-134.4133.1168.2-63.2-66.5000110.8L6 R301 V302 E305 V370L6-Y372 PolarHBondContact N-O 2.64Å; L6-Y372 PolarHBondContact O-N 2.88Å; R301-Y372 HydrophobicContact CB-CD2 4.27Å; R301-Y372 HydrophobicContact CB-CE1 4.41Å; R301-Y372 HydrophobicContact CB-CE2 3.69Å; R301-Y372 VanDerWaalsContact NE-CE1 3.32Å; V302-Y372 HydrophobicContact CG2-CD2 3.64Å; V302-Y372 HydrophobicContact CG2-CE2 4.06Å; E305-Y372 HydrophobicContact CB-CE2 4.47Å; V370-Y372 HydrophobicContact CG1-CD2 4.1Å; V370-Y372 HydrophobicContact CG1-CE2 3.64Å
373K95.2Very high81.1Confident87 Ų8773.4 Ų73.438%0.37833%0.334SS..EExtended strand (participates in β ladder)trans-83.8139.9171.9-174.7169.1166.8151.30110.3E3 K298 Y371E3-K373 HydrophobicContact CG-CD 4.33Å; E3-K373 HydrophobicContact CG-CG 4.18Å; E3-K373 WeakPolarHBondContact OE1-CD 3.49Å; E3-K373 WeakPolarHBondContact OE1-CE 3.48Å; E3-K373 IonicContact OE1-NZ 2.83Å; E3-K373 PolarHBondContact OE1-NZ 3.05Å; E3-K373 WeakPolarHBondContact OE2-CE 3.28Å; E3-K373 IonicContact OE2-NZ 2.67Å; E3-K373 PolarHBondContact OE2-NZ 3.34Å; K298-K373 PolarHBondContact NZ-O 3.41Å; Y371-K373 HydrophobicContact CE1-CB 4.38Å
374I96.2Very high83Confident0 Ų067.4 Ų67.40%031%0.306CS..EExtended strand (participates in β ladder)trans-122.8112.4167.7-58166.5000106.5F4 L6 I102 W294 I295 K298 L320F4-I374 HydrophobicContact CB-CB 4.27Å; F4-I374 PolarHBondContact N-O 2.67Å; F4-I374 PolarHBondContact O-N 3.04Å; L6-I374 HydrophobicContact CB-CD1 4.12Å; L6-I374 HydrophobicContact CD2-CD1 4.31Å; I102-I374 HydrophobicContact CD1-CG2 3.83Å; I102-I374 HydrophobicContact CG2-CD1 4.41Å; W294-I374 HydrophobicContact CH2-CG2 4.08Å; W294-I374 HydrophobicContact CZ3-CG2 4.14Å; I295-I374 HydrophobicContact CD1-CD1 4.22Å; I295-I374 HydrophobicContact CD1-CG2 4.05Å; K298-I374 HydrophobicContact CB-CD1 4.48Å; K298-I374 HydrophobicContact CD-CG1 4.17Å; K298-I374 HydrophobicContact CG-CD1 4.24Å; K298-I374 HydrophobicContact CG-CG1 4.1Å; L320-I374 HydrophobicContact CD1-CD1 4.47Å
375D92.3Very high84.6Confident43 Ų4363.1 Ų63.123%0.2329%0.285CS..EExtended strand (participates in β ladder)trans-103115.1176.4-166.3-9.9000110.1N377D375-N377 PolarHBondContact O-N 3.16Å; D375-N377 VanDerWaalsContact OD1-CB 3.24Å; D375-N377 WeakPolarHBondContact OD1-CB 3.36Å; D375-N377 PolarHBondContact OD1-N 3.39Å; D375-N377 PolarHBondContact OD1-ND2 3.17Å
376C90.2Very high85.4Confident19 Ų1958.8 Ų58.813%0.12826%0.264CS..  trans-83.96.9176.6-620000113T2 L98 I102 L378T2-C376 WeakPolarHBondContact O-CB 3.42Å; T2-C376 PolarHBondContact O-N 3.35Å; L98-C376 HydrophobicContact CD1-CB 4.48Å; I102-C376 WeakPolarHBondContact CD1-SG 3.14Å; C376-L378 PolarHBondContact O-N 2.75Å
377N87.7Confident85.6Confident50 Ų5055 Ų5527%0.26725%0.251SS..  trans-7976.8171.9-53.4-27000109.2M1 T2 D375 L379M1-N377 WeakPolarHBondContact CA-OD1 3.31Å; M1-N377 WeakPolarHBondContact CB-OD1 3.3Å; M1-N377 WeakPolarHBondContact CG-OD1 3.49Å; M1-N377 HydrophobicContact SD-CB 3.94Å; M1-N377 PolarHBondContact SD-OD1 3.41Å; M1-N377 VanDerWaalsContact SD-OD1 3.33Å; T2-N377 PolarHBondContact N-OD1 2.96Å; D375-N377 PolarHBondContact O-N 3.16Å; D375-N377 VanDerWaalsContact OD1-CB 3.24Å; D375-N377 WeakPolarHBondContact OD1-CB 3.36Å; D375-N377 PolarHBondContact OD1-N 3.39Å; D375-N377 PolarHBondContact OD1-ND2 3.17Å; N377-L379 VanDerWaalsContact C-N 3.33Å
378L87.4Confident85.2Confident11 Ų1156.1 Ų56.16%0.05826%0.258CS..  trans-82.7-11.1-174.3-57.2178.3000113.6V69 K70 A73 L98 F287 F291 W294 C376V69-L378 HydrophobicContact CG1-CD1 3.74Å; V69-L378 HydrophobicContact CG1-CD2 3.88Å; V69-L378 HydrophobicContact CG1-CG 4.41Å; K70-L378 HydrophobicContact CG-CD2 4.25Å; A73-L378 HydrophobicContact CB-CB 3.98Å; L98-L378 HydrophobicContact CD1-CD1 3.7Å; F287-L378 HydrophobicContact CE2-CD1 3.58Å; F287-L378 HydrophobicContact CZ-CD1 3.54Å; F291-L378 HydrophobicContact CD2-CD1 4.11Å; F291-L378 HydrophobicContact CE2-CD1 4.15Å; W294-L378 HydrophobicContact CZ3-CD2 4.2Å; C376-L378 PolarHBondContact O-N 2.75Å
379L84Confident84.8Confident17 Ų1759.6 Ų59.69%0.08927%0.273CS..  trans-119.2127.1-177.7-60.4175.9000109.7A73 A77 V87 L91 N377 F381A73-L379 VanDerWaalsContact C-CD2 3.45Å; A73-L379 HydrophobicContact CB-CD2 3.83Å; A73-L379 VanDerWaalsContact O-CD2 3.32Å; A73-L379 WeakPolarHBondContact O-CD2 3.18Å; A77-L379 HydrophobicContact CB-CD2 4.09Å; V87-L379 HydrophobicContact CB-CD1 4.49Å; V87-L379 HydrophobicContact CG1-CD1 3.59Å; L91-L379 HydrophobicContact CD1-CD1 3.87Å; L91-L379 HydrophobicContact CD1-CD2 4.32Å; L91-L379 HydrophobicContact CD1-CG 4.14Å; N377-L379 VanDerWaalsContact C-N 3.33Å; L379-F381 HydrophobicContact CB-CD2 4Å; L379-F381 HydrophobicContact CB-CE2 3.78Å; L379-F381 HydrophobicContact CB-CZ 4.19Å; L379-F381 HydrophobicContact CD1-CD2 4.46Å; L379-F381 HydrophobicContact CD1-CE1 4.28Å; L379-F381 HydrophobicContact CD1-CE2 3.44Å; L379-F381 VanDerWaalsContact CD1-CE2 3.44Å; L379-F381 HydrophobicContact CD1-CZ 3.34Å; L379-F381 HydrophobicContact CG-CE2 4.26Å; L379-F381 HydrophobicContact CG-CZ 4.35Å; L379-F381 PolarHBondContact O-N 2.96Å
380E67.3Low84.1Confident168 Ų16864.2 Ų64.279%0.78529%0.294SS*.  trans-91.183.3164.4-68.7-177.4-171.500107.8K382E380-K382 PolarHBondContact O-N 3.29Å; E380-K382 VanDerWaalsContact O-N 3.16Å
381F59.6Low83.1Confident110 Ų11069.5 Ų69.548%0.48232%0.319SS..  trans-70112164.8-66.1-67.3000107.6A77 L379A77-F381 HydrophobicContact CB-CE1 4.49Å; L379-F381 HydrophobicContact CB-CD2 4Å; L379-F381 HydrophobicContact CB-CE2 3.78Å; L379-F381 HydrophobicContact CB-CZ 4.19Å; L379-F381 HydrophobicContact CD1-CD2 4.46Å; L379-F381 HydrophobicContact CD1-CE1 4.28Å; L379-F381 HydrophobicContact CD1-CE2 3.44Å; L379-F381 VanDerWaalsContact CD1-CE2 3.44Å; L379-F381 HydrophobicContact CD1-CZ 3.34Å; L379-F381 HydrophobicContact CG-CE2 4.26Å; L379-F381 HydrophobicContact CG-CZ 4.35Å; L379-F381 PolarHBondContact O-N 2.96Å
382K44.8Very low82Confident272 Ų27272.6 Ų72.6100%1.18334%0.335SS*.  trans-68.40165-75.8-170.9178.6-179.50111.1E380E380-K382 PolarHBondContact O-N 3.29Å; E380-K382 VanDerWaalsContact O-N 3.16Å

Retrieved 382 of 382 residues in 1102.8 ms (Link to these results)