A0A077Z9F2_TRITR Loading...

1 acyl sn glycerol 3 phosphate acyltransferase

AlphaFold DB , UniProt , Accession A0A077Z9F2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 366 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
1M55.2Low60.3Low197 Ų197106 Ų10697%0.9758%0.582SS**  0-53.60-135.7-173.790.100112.4L3 L4 T5M1-L3 PolarHBondContact O-N 2.92Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.32Å; M1-L4 VanDerWaalsContact O-N 3.15Å; M1-T5 PolarHBondContact O-N 2.81Å; M1-T5 PolarHBondContact O-OG1 3.26Å; M1-T5 VanDerWaalsContact O-OG1 3.07Å
2L60.2Low62.3Low139 Ų139110.6 Ų110.673%0.72858%0.584SS**Hα-helixtrans-58.7-45-175.7-139.3108.3000114.6L4 T5 V6L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.29Å; L2-T5 VanDerWaalsContact C-OG1 3.27Å; L2-T5 WeakPolarHBondContact CA-OG1 3.21Å; L2-T5 PolarHBondContact O-N 3.47Å; L2-T5 PolarHBondContact O-OG1 3.38Å; L2-V6 VanDerWaalsContact O-CG2 3.31Å; L2-V6 WeakPolarHBondContact O-CG2 3.34Å; L2-V6 PolarHBondContact O-N 3.18Å
3L55.4Low64.2Low142 Ų142112.6 Ų112.674%0.74358%0.579SS**Hα-helixtrans-62.3-39.9176.1-76.1164.6000112.3M1 V6 Q7M1-L3 PolarHBondContact O-N 2.92Å; L3-V6 PolarHBondContact O-N 3.11Å; L3-Q7 WeakPolarHBondContact O-CB 3.38Å; L3-Q7 WeakPolarHBondContact O-CG 3.23Å; L3-Q7 PolarHBondContact O-N 3.48Å
4L55.4Low66Low111 Ų111106.9 Ų106.958%0.58155%0.553SS**Hα-helixtrans-66.9-42.5177.5-150.795.1000110.7M1 L2 Q7 L8M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.32Å; M1-L4 VanDerWaalsContact O-N 3.15Å; L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.29Å; L4-Q7 PolarHBondContact O-N 3.3Å; L4-L8 HydrophobicContact CD2-CD1 4.16Å; L4-L8 HydrophobicContact CG-CD1 4.39Å; L4-L8 VanDerWaalsContact O-CB 3.29Å; L4-L8 WeakPolarHBondContact O-CB 3.4Å; L4-L8 WeakPolarHBondContact O-CD1 3.49Å; L4-L8 WeakPolarHBondContact O-CG 3.08Å; L4-L8 PolarHBondContact O-N 3.14Å
5T54.9Low67.7Low57 Ų57109.5 Ų109.535%0.3556%0.559SS.*Hα-helixtrans-64.8-39.8174.5390000112.4M1 L2 L8 L9M1-T5 PolarHBondContact O-N 2.81Å; M1-T5 PolarHBondContact O-OG1 3.26Å; M1-T5 VanDerWaalsContact O-OG1 3.07Å; L2-T5 VanDerWaalsContact C-OG1 3.27Å; L2-T5 WeakPolarHBondContact CA-OG1 3.21Å; L2-T5 PolarHBondContact O-N 3.47Å; L2-T5 PolarHBondContact O-OG1 3.38Å; T5-L8 PolarHBondContact O-N 3.1Å; T5-L9 VanDerWaalsContact O-CB 3.3Å; T5-L9 WeakPolarHBondContact O-CB 3.27Å; T5-L9 WeakPolarHBondContact O-CG 3.44Å; T5-L9 PolarHBondContact O-N 3.45Å
6V59.1Low69.1Low85 Ų85107.9 Ų107.952%0.51556%0.556SS.*Hα-helixtrans-66.4-42.9175.6170.90000110.8L2 L3 L9 S10L2-V6 VanDerWaalsContact O-CG2 3.31Å; L2-V6 WeakPolarHBondContact O-CG2 3.34Å; L2-V6 PolarHBondContact O-N 3.18Å; L3-V6 PolarHBondContact O-N 3.11Å; V6-L9 PolarHBondContact O-N 3.32Å; V6-S10 VanDerWaalsContact O-CB 3.29Å; V6-S10 WeakPolarHBondContact O-CB 3.45Å; V6-S10 PolarHBondContact O-N 2.7Å; V6-S10 PolarHBondContact O-OG 2.79Å
7Q58.5Low70.4Confident124 Ų124102.6 Ų102.658%0.57953%0.529SS*.Hα-helixtrans-63.9-45.3175.4-81.8173.9-38.400111.9L3 L4 S10 G11L3-Q7 WeakPolarHBondContact O-CB 3.38Å; L3-Q7 WeakPolarHBondContact O-CG 3.23Å; L3-Q7 PolarHBondContact O-N 3.48Å; L4-Q7 PolarHBondContact O-N 3.3Å; Q7-S10 WeakPolarHBondContact CA-OG 3.48Å; Q7-S10 PolarHBondContact O-N 2.88Å; Q7-S10 PolarHBondContact O-OG 3.23Å; Q7-G11 PolarHBondContact O-N 2.97Å
8L58.5Low71.6Confident96 Ų9699.6 Ų99.650%0.50352%0.521SS..Hα-helixtrans-58.5-52.6175.3-75166.3000110.3L4 T5 S10 G11 W12L4-L8 HydrophobicContact CD2-CD1 4.16Å; L4-L8 HydrophobicContact CG-CD1 4.39Å; L4-L8 VanDerWaalsContact O-CB 3.29Å; L4-L8 WeakPolarHBondContact O-CB 3.4Å; L4-L8 WeakPolarHBondContact O-CD1 3.49Å; L4-L8 WeakPolarHBondContact O-CG 3.08Å; L4-L8 PolarHBondContact O-N 3.14Å; T5-L8 PolarHBondContact O-N 3.1Å; L8-S10 VanDerWaalsContact C-N 3.27Å; L8-S10 PolarHBondContact O-N 3.42Å; L8-G11 PolarHBondContact O-N 3.16Å; L8-W12 PolarHBondContact O-N 3.49Å
9L61Low72.7Confident121 Ų12196.2 Ų96.263%0.63451%0.512SS*.Hα-helixtrans-58.6-37.9177.1-72.5169.5000112.3T5 V6 G11 W12T5-L9 VanDerWaalsContact O-CB 3.3Å; T5-L9 WeakPolarHBondContact O-CB 3.27Å; T5-L9 WeakPolarHBondContact O-CG 3.44Å; T5-L9 PolarHBondContact O-N 3.45Å; V6-L9 PolarHBondContact O-N 3.32Å; L9-G11 VanDerWaalsContact C-N 3.34Å; L9-W12 PolarHBondContact O-N 3.35Å
10S67.1Low73.7Confident51 Ų5195.7 Ų95.736%0.35751%0.508SS..Hα-helixtrans-66.1-36.5175.676.60000112.4V6 Q7 L8 W12 R13V6-S10 VanDerWaalsContact O-CB 3.29Å; V6-S10 WeakPolarHBondContact O-CB 3.45Å; V6-S10 PolarHBondContact O-N 2.7Å; V6-S10 PolarHBondContact O-OG 2.79Å; Q7-S10 WeakPolarHBondContact CA-OG 3.48Å; Q7-S10 PolarHBondContact O-N 2.88Å; Q7-S10 PolarHBondContact O-OG 3.23Å; L8-S10 VanDerWaalsContact C-N 3.27Å; L8-S10 PolarHBondContact O-N 3.42Å; S10-W12 VanDerWaalsContact C-N 3.28Å; S10-W12 PolarHBondContact O-N 2.86Å; S10-R13 WeakPolarHBondContact O-CB 3.34Å; S10-R13 WeakPolarHBondContact O-CG 3.33Å; S10-R13 PolarHBondContact O-N 3.4Å
11G78Confident74.6Confident43 Ų4392.6 Ų92.644%0.44349%0.493SS..Hα-helixtrans-67.6-25.4177.300000113.7Q7 L8 L9 P14Q7-G11 PolarHBondContact O-N 2.97Å; L8-G11 PolarHBondContact O-N 3.16Å; L9-G11 VanDerWaalsContact C-N 3.34Å; G11-P14 WeakPolarHBondContact O-CD 3.4Å
12W84.5Confident76.4Confident161 Ų16184.3 Ų84.361%0.6146%0.458SS*.Hα-helixtrans-80.9-18.1176-71.5102.8000113.8L8 L9 S10 F15 V16L8-W12 PolarHBondContact O-N 3.49Å; L9-W12 PolarHBondContact O-N 3.35Å; S10-W12 VanDerWaalsContact C-N 3.28Å; S10-W12 PolarHBondContact O-N 2.86Å; W12-F15 HydrophobicContact CE3-CD2 4.44Å; W12-F15 PolarHBondContact O-N 2.85Å; W12-V16 WeakPolarHBondContact O-CG2 3.33Å; W12-V16 PolarHBondContact O-N 3.14Å
13R87.1Confident78Confident137 Ų13779.9 Ų79.952%0.51744%0.438SS..Hα-helixtrans-53.6-45.9-175.3-67175.8175.2-173.5-4.5113.7S10 F15 V16 L17 C255S10-R13 WeakPolarHBondContact O-CB 3.34Å; S10-R13 WeakPolarHBondContact O-CG 3.33Å; S10-R13 PolarHBondContact O-N 3.4Å; R13-F15 VanDerWaalsContact C-N 3.31Å; R13-F15 PolarHBondContact O-N 2.95Å; R13-V16 PolarHBondContact O-N 3.4Å; R13-L17 WeakPolarHBondContact O-CB 3.46Å; R13-L17 PolarHBondContact O-N 3.48Å; R13-C255 HydrophobicContact CB-CB 3.91Å
14P89.2Confident80Confident33 Ų3373.4 Ų73.421%0.21440%0.404CS..Hα-helixtrans-59.4-39.9177.3-26.637.7000113.2G11 A18 F251 C255G11-P14 WeakPolarHBondContact O-CD 3.4Å; P14-A18 WeakPolarHBondContact O-CB 3.45Å; P14-A18 PolarHBondContact O-N 3.34Å; P14-F251 HydrophobicContact CB-CB 4.39Å; P14-F251 HydrophobicContact CB-CD1 3.58Å; P14-F251 HydrophobicContact CB-CE1 3.91Å; P14-F251 HydrophobicContact CB-CG 3.97Å; P14-F251 HydrophobicContact CG-CB 4.41Å; P14-F251 HydrophobicContact CG-CD1 4.33Å; P14-C255 HydrophobicContact CG-CB 4.12Å
15F91.3Very high81.9Confident145 Ų14568.2 Ų68.264%0.63638%0.377SS*.Hα-helixtrans-71.5-40.1-179.8-61.1-77.9000112W12 R13 G19W12-F15 HydrophobicContact CE3-CD2 4.44Å; W12-F15 PolarHBondContact O-N 2.85Å; R13-F15 VanDerWaalsContact C-N 3.31Å; R13-F15 PolarHBondContact O-N 2.95Å; F15-G19 PolarHBondContact O-N 3.13Å
16V90Very high83.9Confident85 Ų8565.5 Ų65.552%0.51536%0.361SS..Hα-helixtrans-61.8-49.1174.6174.20000110W12 R13 G19 M20W12-V16 WeakPolarHBondContact O-CG2 3.33Å; W12-V16 PolarHBondContact O-N 3.14Å; R13-V16 PolarHBondContact O-N 3.4Å; V16-G19 PolarHBondContact O-N 2.68Å; V16-M20 HydrophobicContact CG1-CG 4.44Å; V16-M20 HydrophobicContact CG1-SD 4.04Å; V16-M20 VanDerWaalsContact O-CG 3.3Å; V16-M20 WeakPolarHBondContact O-CG 3.42Å; V16-M20 PolarHBondContact O-N 2.79Å
17L91.7Very high85.6Confident18 Ų1862.1 Ų62.19%0.09434%0.341CS..Hα-helixtrans-62.3-47.2178.5178.566.4000112.1R13 G19 M20 V21 F66 F251 V254R13-L17 WeakPolarHBondContact O-CB 3.46Å; R13-L17 PolarHBondContact O-N 3.48Å; L17-G19 VanDerWaalsContact C-N 3.27Å; L17-G19 PolarHBondContact O-N 2.9Å; L17-M20 PolarHBondContact O-N 2.82Å; L17-V21 HydrophobicContact CD1-CG2 4.31Å; L17-V21 WeakPolarHBondContact O-CG2 3.49Å; L17-V21 PolarHBondContact O-N 2.86Å; L17-F66 HydrophobicContact CD1-CB 4.03Å; L17-F66 HydrophobicContact CD1-CD1 3.41Å; L17-F66 VanDerWaalsContact CD1-CD1 3.41Å; L17-F66 HydrophobicContact CD1-CD2 3.68Å; L17-F66 HydrophobicContact CD1-CE1 3.66Å; L17-F66 HydrophobicContact CD1-CE2 3.9Å; L17-F66 HydrophobicContact CD1-CG 3.41Å; L17-F66 VanDerWaalsContact CD1-CG 3.41Å; L17-F66 HydrophobicContact CD1-CZ 3.9Å; L17-F251 HydrophobicContact CD2-CD1 4.49Å; L17-F251 HydrophobicContact CD2-CE1 4.42Å; L17-V254 HydrophobicContact CD2-CB 4.01Å; L17-V254 HydrophobicContact CD2-CG1 3.36Å
18A92.1Very high87.5Confident48 Ų4856.9 Ų56.940%0.39732%0.316SS..Hα-helixtrans-61-38.6177.200000111.5P14 G22 F251P14-A18 WeakPolarHBondContact O-CB 3.45Å; P14-A18 PolarHBondContact O-N 3.34Å; A18-G22 PolarHBondContact O-N 3.28Å; A18-F251 HydrophobicContact CB-CE1 4.49Å; A18-F251 HydrophobicContact CB-CZ 4.32Å
19G92.2Very high89.3Confident34 Ų3453 Ų5335%0.35130%0.295SS..Hα-helixtrans-63.8-47.6173.700000112.4F15 V16 L17 V21 G22 C23F15-G19 PolarHBondContact O-N 3.13Å; V16-G19 PolarHBondContact O-N 2.68Å; L17-G19 VanDerWaalsContact C-N 3.27Å; L17-G19 PolarHBondContact O-N 2.9Å; G19-V21 PolarHBondContact O-N 3.05Å; G19-G22 PolarHBondContact O-N 2.82Å; G19-C23 WeakPolarHBondContact O-CB 3.38Å; G19-C23 PolarHBondContact O-N 3.33Å; G19-C23 PolarHBondContact O-SG 3.38Å
20M91.9Very high91Very high87 Ų8749.2 Ų49.243%0.42928%0.278SS..Hα-helixtrans-58.7-50.1176.9-71.5173.873.600111.5V16 L17 C23 T24 F66V16-M20 HydrophobicContact CG1-CG 4.44Å; V16-M20 HydrophobicContact CG1-SD 4.04Å; V16-M20 VanDerWaalsContact O-CG 3.3Å; V16-M20 WeakPolarHBondContact O-CG 3.42Å; V16-M20 PolarHBondContact O-N 2.79Å; L17-M20 PolarHBondContact O-N 2.82Å; M20-C23 PolarHBondContact O-N 2.73Å; M20-T24 WeakPolarHBondContact O-CG2 3.5Å; M20-T24 PolarHBondContact O-N 2.83Å; M20-F66 HydrophobicContact CE-CE1 4.27Å; M20-F66 HydrophobicContact CE-CZ 3.85Å
21V93.5Very high92.5Very high30 Ų3049.2 Ų49.218%0.18228%0.282CS..Hα-helixtrans-61.3-49.9177.3174.10000110.2L17 G19 C23 T24 S25 Y59 F62 L63 Y131L17-V21 HydrophobicContact CD1-CG2 4.31Å; L17-V21 WeakPolarHBondContact O-CG2 3.49Å; L17-V21 PolarHBondContact O-N 2.86Å; G19-V21 PolarHBondContact O-N 3.05Å; V21-C23 VanDerWaalsContact C-N 3.29Å; V21-C23 PolarHBondContact O-N 3.27Å; V21-T24 PolarHBondContact O-N 2.99Å; V21-T24 VanDerWaalsContact O-N 3.14Å; V21-T24 PolarHBondContact O-OG1 2.76Å; V21-S25 PolarHBondContact O-N 2.91Å; V21-Y59 PolarHBondContact O-OH 2.84Å; V21-F62 HydrophobicContact CG2-CE1 4.2Å; V21-F62 HydrophobicContact CG2-CZ 4.47Å; V21-L63 HydrophobicContact CB-CD2 4.46Å; V21-L63 HydrophobicContact CG1-CD2 3.8Å; V21-L63 HydrophobicContact CG2-CD2 3.77Å; V21-Y131 PolarHBondContact O-OH 2.96Å
22G93.4Very high93.3Very high24 Ų2447.2 Ų47.225%0.24726%0.261CS..Hα-helixtrans-58.2-37.717900000113.2A18 G19 T24 S25A18-G22 PolarHBondContact O-N 3.28Å; G19-G22 PolarHBondContact O-N 2.82Å; G22-T24 PolarHBondContact O-N 3.43Å; G22-S25 VanDerWaalsContact O-CB 3.24Å; G22-S25 WeakPolarHBondContact O-CB 3.4Å; G22-S25 PolarHBondContact O-N 3.32Å; G22-S25 PolarHBondContact O-OG 3.42Å
23C93.7Very high93.8Very high46 Ų4642.1 Ų42.131%0.31125%0.245SC..Hα-helixtrans-67.5-35.3178.4-75.40000112.8G19 M20 V21 S25 P27 T332 F345G19-C23 WeakPolarHBondContact O-CB 3.38Å; G19-C23 PolarHBondContact O-N 3.33Å; G19-C23 PolarHBondContact O-SG 3.38Å; M20-C23 PolarHBondContact O-N 2.73Å; V21-C23 VanDerWaalsContact C-N 3.29Å; V21-C23 PolarHBondContact O-N 3.27Å; C23-S25 PolarHBondContact O-N 3.04Å; C23-P27 WeakPolarHBondContact O-CD 3.44Å; C23-T332 HydrophobicContact CB-CG2 3.89Å; C23-F345 HydrophobicContact CB-CZ 4.36Å; C23-F345 VanDerWaalsContact O-CE2 3.28Å; C23-F345 WeakPolarHBondContact O-CE2 3.08Å
24T96.2Very high94.2Very high5 Ų536.9 Ų36.93%0.03123%0.233CC..Hα-helixtrans-71.2-1217762.50000113.9M20 V21 G22 V26 P27 F28 Y59 F62 L328M20-T24 WeakPolarHBondContact O-CG2 3.5Å; M20-T24 PolarHBondContact O-N 2.83Å; V21-T24 PolarHBondContact O-N 2.99Å; V21-T24 VanDerWaalsContact O-N 3.14Å; V21-T24 PolarHBondContact O-OG1 2.76Å; G22-T24 PolarHBondContact O-N 3.43Å; T24-V26 VanDerWaalsContact C-N 3.33Å; T24-V26 PolarHBondContact O-N 2.78Å; T24-P27 WeakPolarHBondContact O-CD 3.45Å; T24-P27 WeakPolarHBondContact O-CG 3.43Å; T24-F28 WeakPolarHBondContact O-CB 3.22Å; T24-F28 PolarHBondContact O-N 3.49Å; T24-Y59 PolarHBondContact OG1-OH 3.16Å; T24-Y59 VanDerWaalsContact OG1-OH 3.08Å; T24-F62 HydrophobicContact CG2-CE1 3.9Å; T24-F62 HydrophobicContact CG2-CZ 3.79Å; T24-F62 VanDerWaalsContact OG1-CE1 3.3Å; T24-F62 WeakPolarHBondContact OG1-CE1 3.48Å; T24-L328 HydrophobicContact CG2-CB 3.9Å
25S95.2Very high94.5Very high2 Ų238 Ų381%0.01423%0.234CC..Hα-helixtrans-59.4-40.1177.667.80000113.2V21 G22 C23 F29 Y131V21-S25 PolarHBondContact O-N 2.91Å; G22-S25 VanDerWaalsContact O-CB 3.24Å; G22-S25 WeakPolarHBondContact O-CB 3.4Å; G22-S25 PolarHBondContact O-N 3.32Å; G22-S25 PolarHBondContact O-OG 3.42Å; C23-S25 PolarHBondContact O-N 3.04Å; S25-F29 WeakPolarHBondContact O-CB 3.45Å; S25-F29 PolarHBondContact O-N 3.18Å; S25-Y131 VanDerWaalsContact CB-CZ 3.48Å; S25-Y131 WeakPolarHBondContact CB-OH 3.44Å
26V96.9Very high94.7Very high0 Ų034.7 Ų34.70%022%0.217CC..Hα-helixtrans-67.2-56.9-175173.20000112.3T24 F28 F29 C30 L130 L335 F345 V348 W349T24-V26 VanDerWaalsContact C-N 3.33Å; T24-V26 PolarHBondContact O-N 2.78Å; V26-F28 VanDerWaalsContact C-N 3.26Å; V26-F28 PolarHBondContact O-N 2.8Å; V26-F29 PolarHBondContact O-N 3.11Å; V26-C30 PolarHBondContact O-N 2.81Å; V26-C30 PolarHBondContact O-SG 2.84Å; V26-C30 VanDerWaalsContact O-SG 3.35Å; V26-L130 HydrophobicContact CG2-CD1 3.99Å; V26-L335 HydrophobicContact CG1-CD1 3.99Å; V26-F345 HydrophobicContact CB-CD2 3.73Å; V26-F345 HydrophobicContact CB-CE2 3.48Å; V26-F345 VanDerWaalsContact CB-CE2 3.48Å; V26-F345 HydrophobicContact CB-CG 4.45Å; V26-F345 HydrophobicContact CB-CZ 3.99Å; V26-F345 HydrophobicContact CG1-CD2 3.78Å; V26-F345 HydrophobicContact CG1-CE2 4.09Å; V26-F345 HydrophobicContact CG1-CG 4.29Å; V26-F345 HydrophobicContact CG2-CD1 4.25Å; V26-F345 HydrophobicContact CG2-CD2 3.88Å; V26-F345 HydrophobicContact CG2-CE1 3.87Å; V26-F345 HydrophobicContact CG2-CE2 3.51Å; V26-F345 HydrophobicContact CG2-CG 4.22Å; V26-F345 HydrophobicContact CG2-CZ 3.46Å; V26-F345 VanDerWaalsContact CG2-CZ 3.46Å; V26-V348 HydrophobicContact CG1-CB 3.95Å; V26-V348 HydrophobicContact CG1-CG1 3.86Å; V26-W349 HydrophobicContact CG2-CB 3.86Å; V26-W349 HydrophobicContact CG2-CG 4.33Å
27P96.7Very high94.8Very high15 Ų1535.6 Ų35.610%0.09722%0.217CC..Hα-helixtrans-61.4-37.6178.922.6-32.5000112C23 T24 C30 A31 A331 T332 L335C23-P27 WeakPolarHBondContact O-CD 3.44Å; T24-P27 WeakPolarHBondContact O-CD 3.45Å; T24-P27 WeakPolarHBondContact O-CG 3.43Å; P27-C30 PolarHBondContact O-N 2.81Å; P27-A31 WeakPolarHBondContact O-CB 3.27Å; P27-A31 PolarHBondContact O-N 2.98Å; P27-A331 HydrophobicContact CB-CB 3.67Å; P27-A331 HydrophobicContact CG-CB 4.24Å; P27-T332 WeakPolarHBondContact CG-OG1 3.33Å; P27-L335 HydrophobicContact CB-CD1 4.13Å
28F97.6Very high94.9Very high14 Ų1440.5 Ų40.56%0.06124%0.243CC..Hα-helixtrans-61.2-47.8174.8-180-101000112.1T24 V26 C30 A31 A32 M55 Y59 Y134 L328T24-F28 WeakPolarHBondContact O-CB 3.22Å; T24-F28 PolarHBondContact O-N 3.49Å; V26-F28 VanDerWaalsContact C-N 3.26Å; V26-F28 PolarHBondContact O-N 2.8Å; F28-C30 PolarHBondContact O-N 3.38Å; F28-A31 PolarHBondContact O-N 3.07Å; F28-A32 WeakPolarHBondContact O-CB 3.4Å; F28-A32 PolarHBondContact O-N 3.46Å; F28-M55 HydrophobicContact CE2-CB 4.1Å; F28-M55 HydrophobicContact CE2-CE 4.37Å; F28-M55 WeakPolarHBondContact CE2-O 3.22Å; F28-M55 HydrophobicContact CZ-CB 4.46Å; F28-Y59 HydrophobicContact CB-CD2 3.83Å; F28-Y59 HydrophobicContact CB-CE2 3.99Å; F28-Y59 AromaticContact CD1-CD2 3.97Å; F28-Y59 HydrophobicContact CD1-CD2 3.97Å; F28-Y59 HydrophobicContact CD1-CE2 4.41Å; F28-Y59 AromaticContact CD2-CD2 3.53Å; F28-Y59 HydrophobicContact CD2-CD2 3.53Å; F28-Y59 HydrophobicContact CD2-CE2 4.49Å; F28-Y59 HydrophobicContact CD2-CG 4.13Å; F28-Y59 HydrophobicContact CE1-CD2 4.44Å; F28-Y59 HydrophobicContact CE2-CD2 4.06Å; F28-Y59 HydrophobicContact CE2-CG 4.18Å; F28-Y59 AromaticContact CG-CD2 3.47Å; F28-Y59 HydrophobicContact CG-CD2 3.47Å; F28-Y59 VanDerWaalsContact CG-CD2 3.47Å; F28-Y59 HydrophobicContact CG-CE2 4.04Å; F28-Y59 HydrophobicContact CG-CG 4.3Å; F28-Y59 HydrophobicContact CZ-CD2 4.46Å; F28-Y59 HydrophobicContact CZ-CG 4.39Å; F28-Y134 AromaticContact CE1-CD1 3.84Å; F28-Y134 HydrophobicContact CE1-CD1 3.84Å; F28-Y134 AromaticContact CE1-CD2 3.74Å; F28-Y134 HydrophobicContact CE1-CD2 3.74Å; F28-Y134 AromaticContact CE1-CE1 3.75Å; F28-Y134 HydrophobicContact CE1-CE1 3.75Å; F28-Y134 AromaticContact CE1-CE2 3.63Å; F28-Y134 HydrophobicContact CE1-CE2 3.63Å; F28-Y134 AromaticContact CE1-CG 3.85Å; F28-Y134 HydrophobicContact CE1-CG 3.85Å; F28-Y134 AromaticContact CE1-CZ 3.64Å; F28-Y134 HydrophobicContact CZ-CD1 4.37Å; F28-Y134 HydrophobicContact CZ-CD2 4.33Å; F28-Y134 AromaticContact CZ-CE1 3.8Å; F28-Y134 HydrophobicContact CZ-CE1 3.8Å; F28-Y134 AromaticContact CZ-CE2 3.74Å; F28-Y134 HydrophobicContact CZ-CE2 3.74Å; F28-Y134 AromaticContact CZ-CZ 3.44Å; F28-Y134 VanDerWaalsContact CZ-CZ 3.44Å; F28-L328 HydrophobicContact CB-CD2 4.31Å
29F97.1Very high95Very high13 Ų1338.2 Ų38.26%0.05722%0.224CC..Hα-helixtrans-62.5-42.9178.7178.6-102.7000112.3S25 V26 A31 A32 I33 L130 W133 V348 C356S25-F29 WeakPolarHBondContact O-CB 3.45Å; S25-F29 PolarHBondContact O-N 3.18Å; V26-F29 PolarHBondContact O-N 3.11Å; F29-A31 VanDerWaalsContact C-N 3.34Å; F29-A31 PolarHBondContact O-N 2.97Å; F29-A32 PolarHBondContact O-N 2.74Å; F29-I33 HydrophobicContact CD1-CD1 4.11Å; F29-I33 HydrophobicContact CD2-CD1 4.37Å; F29-I33 HydrophobicContact CE1-CD1 3.37Å; F29-I33 HydrophobicContact CE1-CG1 4.31Å; F29-I33 HydrophobicContact CE2-CD1 3.67Å; F29-I33 HydrophobicContact CE2-CG1 4.16Å; F29-I33 HydrophobicContact CZ-CD1 3.13Å; F29-I33 HydrophobicContact CZ-CG1 4.08Å; F29-I33 PolarHBondContact O-N 2.89Å; F29-L130 HydrophobicContact CB-CB 4.2Å; F29-L130 HydrophobicContact CB-CD1 3.9Å; F29-L130 HydrophobicContact CB-CG 4.49Å; F29-L130 HydrophobicContact CD1-CD1 4.19Å; F29-L130 HydrophobicContact CD1-CD2 3.84Å; F29-L130 HydrophobicContact CD1-CG 4.47Å; F29-L130 HydrophobicContact CD2-CB 3.84Å; F29-L130 HydrophobicContact CD2-CD2 4.13Å; F29-L130 HydrophobicContact CD2-CG 4.43Å; F29-L130 HydrophobicContact CE1-CD2 3.77Å; F29-L130 HydrophobicContact CE2-CB 4.34Å; F29-L130 HydrophobicContact CE2-CD2 4.09Å; F29-L130 HydrophobicContact CG-CB 4.02Å; F29-L130 HydrophobicContact CG-CD1 4.03Å; F29-L130 HydrophobicContact CG-CD2 3.98Å; F29-L130 HydrophobicContact CG-CG 4.23Å; F29-L130 HydrophobicContact CZ-CD2 3.88Å; F29-W133 HydrophobicContact CD2-CE3 4.34Å; F29-W133 HydrophobicContact CE2-CD2 4.48Å; F29-W133 AromaticContact CE2-CE3 3.72Å; F29-W133 HydrophobicContact CE2-CE3 3.72Å; F29-W133 HydrophobicContact CE2-CZ3 4.04Å; F29-V348 HydrophobicContact CD1-CG1 3.8Å; F29-V348 HydrophobicContact CE1-CG1 4.2Å; F29-C356 WeakPolarHBondContact CE2-SG 3.49Å; F29-C356 WeakPolarHBondContact CZ-SG 3.47Å
30C96.8Very high94.9Very high42 Ų4239.5 Ų39.528%0.28423%0.231SC..Hα-helixtrans-59-45.5174.1-70.70000111.5V26 P27 F28 A32 G34V26-C30 PolarHBondContact O-N 2.81Å; V26-C30 PolarHBondContact O-SG 2.84Å; V26-C30 VanDerWaalsContact O-SG 3.35Å; P27-C30 PolarHBondContact O-N 2.81Å; F28-C30 PolarHBondContact O-N 3.38Å; C30-A32 VanDerWaalsContact C-N 3.35Å; C30-G34 PolarHBondContact O-N 3.4Å
31A96.7Very high94.7Very high52 Ų5243.5 Ų43.543%0.4325%0.247SC..Hα-helixtrans-61.9-43.5175.800000111.4P27 F28 F29 G34 W35 M55P27-A31 WeakPolarHBondContact O-CB 3.27Å; P27-A31 PolarHBondContact O-N 2.98Å; F28-A31 PolarHBondContact O-N 3.07Å; F29-A31 VanDerWaalsContact C-N 3.34Å; F29-A31 PolarHBondContact O-N 2.97Å; A31-G34 PolarHBondContact O-N 3.42Å; A31-W35 WeakPolarHBondContact O-CB 3.31Å; A31-W35 PolarHBondContact O-N 3.15Å; A31-M55 HydrophobicContact CB-CE 3.7Å
32A96.5Very high94.3Very high0 Ų047.5 Ų47.50%028%0.276CS..Hα-helixtrans-65.4-43.8-177.200000112.1F28 F29 C30 R36 M55 Y134F28-A32 WeakPolarHBondContact O-CB 3.4Å; F28-A32 PolarHBondContact O-N 3.46Å; F29-A32 PolarHBondContact O-N 2.74Å; C30-A32 VanDerWaalsContact C-N 3.35Å; A32-R36 WeakPolarHBondContact O-CB 3.43Å; A32-R36 VanDerWaalsContact O-CG 3.27Å; A32-R36 WeakPolarHBondContact O-CG 3.36Å; A32-R36 PolarHBondContact O-N 3.28Å; A32-M55 HydrophobicContact CB-CE 3.85Å; A32-M55 VanDerWaalsContact N-CE 3.29Å; A32-Y134 HydrophobicContact CB-CD2 3.78Å; A32-Y134 HydrophobicContact CB-CE2 3.66Å
33I95.2Very high94.3Very high55 Ų5548.3 Ų48.328%0.28228%0.276SS..Hα-helixtrans-66.9-45.6174.5-72.9-170.5000110.9F29 W35 R36 I37 W133F29-I33 HydrophobicContact CD1-CD1 4.11Å; F29-I33 HydrophobicContact CD2-CD1 4.37Å; F29-I33 HydrophobicContact CE1-CD1 3.37Å; F29-I33 HydrophobicContact CE1-CG1 4.31Å; F29-I33 HydrophobicContact CE2-CD1 3.67Å; F29-I33 HydrophobicContact CE2-CG1 4.16Å; F29-I33 HydrophobicContact CZ-CD1 3.13Å; F29-I33 HydrophobicContact CZ-CG1 4.08Å; F29-I33 PolarHBondContact O-N 2.89Å; I33-W35 VanDerWaalsContact C-N 3.32Å; I33-W35 PolarHBondContact O-N 3.39Å; I33-R36 PolarHBondContact O-N 3.17Å; I33-R36 VanDerWaalsContact O-N 3.13Å; I33-I37 HydrophobicContact CG2-CD1 3.59Å; I33-I37 HydrophobicContact CG2-CG1 4.21Å; I33-I37 WeakPolarHBondContact O-CG1 3.29Å; I33-I37 PolarHBondContact O-N 3.33Å; I33-W133 HydrophobicContact CG1-CH2 4.04Å; I33-W133 HydrophobicContact CG1-CZ3 4.09Å
34G95.1Very high94.3Very high26 Ų2649.3 Ų49.327%0.26828%0.284SS..Hα-helixtrans-56.2-47.3178.100000111.7C30 A31 R36 I37 I38C30-G34 PolarHBondContact O-N 3.4Å; A31-G34 PolarHBondContact O-N 3.42Å; G34-R36 PolarHBondContact O-N 3.33Å; G34-I37 PolarHBondContact O-N 2.85Å; G34-I38 WeakPolarHBondContact O-CB 3.21Å; G34-I38 WeakPolarHBondContact O-CD1 3.32Å; G34-I38 VanDerWaalsContact O-CG1 3.25Å; G34-I38 WeakPolarHBondContact O-CG1 3.49Å; G34-I38 PolarHBondContact O-N 3.41Å
35W95.3Very high94.2Very high58 Ų5855.9 Ų55.922%0.2231%0.314CS..Hα-helixtrans-57.2-49.7173.8174.3-117.5000111.8A31 I33 I37 I38 A39 V43 R48 V51 M55A31-W35 WeakPolarHBondContact O-CB 3.31Å; A31-W35 PolarHBondContact O-N 3.15Å; I33-W35 VanDerWaalsContact C-N 3.32Å; I33-W35 PolarHBondContact O-N 3.39Å; W35-I37 VanDerWaalsContact C-N 3.31Å; W35-I37 PolarHBondContact O-N 3.3Å; W35-I38 PolarHBondContact O-N 2.83Å; W35-A39 HydrophobicContact CD2-CB 4.05Å; W35-A39 HydrophobicContact CE3-CB 4.31Å; W35-A39 HydrophobicContact CH2-CB 4.06Å; W35-A39 HydrophobicContact CZ2-CB 3.77Å; W35-A39 HydrophobicContact CZ3-CB 4.32Å; W35-A39 WeakPolarHBondContact O-CB 3.41Å; W35-A39 PolarHBondContact O-N 3.47Å; W35-V43 HydrophobicContact CH2-CG1 4.25Å; W35-V43 HydrophobicContact CH2-CG2 4.47Å; W35-V43 HydrophobicContact CZ2-CG1 4.27Å; W35-R48 PolarHBondContact NE1-O 3.42Å; W35-V51 HydrophobicContact CD2-CB 4.22Å; W35-V51 HydrophobicContact CD2-CG1 3.54Å; W35-V51 VanDerWaalsContact CE2-CB 3.42Å; W35-V51 HydrophobicContact CE3-CG1 4.01Å; W35-V51 HydrophobicContact CG-CG1 4.01Å; W35-V51 HydrophobicContact CH2-CB 4.03Å; W35-V51 HydrophobicContact CH2-CG1 4.04Å; W35-V51 HydrophobicContact CH2-CG2 3.73Å; W35-V51 HydrophobicContact CZ2-CB 3.33Å; W35-V51 HydrophobicContact CZ2-CG1 3.57Å; W35-V51 HydrophobicContact CZ2-CG2 3.46Å; W35-V51 VanDerWaalsContact CZ2-CG2 3.46Å; W35-V51 HydrophobicContact CZ3-CG1 4.23Å; W35-M55 HydrophobicContact CB-SD 4.03Å; W35-M55 HydrophobicContact CG-SD 4.24Å
36R94.1Very high94.2Very high74 Ų7462 Ų6228%0.27934%0.337SS..Hα-helixtrans-63.4-35.1-178.1-74.4171.6-177.4-89.5-1.5113A32 I33 G34 A40 D52 A137A32-R36 WeakPolarHBondContact O-CB 3.43Å; A32-R36 VanDerWaalsContact O-CG 3.27Å; A32-R36 WeakPolarHBondContact O-CG 3.36Å; A32-R36 PolarHBondContact O-N 3.28Å; I33-R36 PolarHBondContact O-N 3.17Å; I33-R36 VanDerWaalsContact O-N 3.13Å; G34-R36 PolarHBondContact O-N 3.33Å; R36-A40 WeakPolarHBondContact O-CB 3.44Å; R36-A40 PolarHBondContact O-N 3.36Å; R36-D52 IonicContact CZ-OD1 3.73Å; R36-D52 IonicContact NE-OD1 2.73Å; R36-D52 IonicContact NH2-OD1 3.97Å; R36-D52 PolarHBondContact NH2-OD1 2.88Å; R36-D52 IonicContact NH2-OD2 2.82Å; R36-D52 PolarHBondContact NH2-OD2 3.48Å; R36-A137 PolarHBondContact NH1-O 2.89Å; R36-A137 VanDerWaalsContact NH2-C 3.3Å; R36-A137 PolarHBondContact NH2-O 2.86Å
37I93.9Very high94.1Very high104 Ų10464.9 Ų64.953%0.53335%0.354SS..Hα-helixtrans-69.1-50.8175.1-67.4169.8000110.4I33 G34 W35 A39 A40 F41I33-I37 HydrophobicContact CG2-CD1 3.59Å; I33-I37 HydrophobicContact CG2-CG1 4.21Å; I33-I37 WeakPolarHBondContact O-CG1 3.29Å; I33-I37 PolarHBondContact O-N 3.33Å; G34-I37 PolarHBondContact O-N 2.85Å; W35-I37 VanDerWaalsContact C-N 3.31Å; W35-I37 PolarHBondContact O-N 3.3Å; I37-A39 VanDerWaalsContact C-N 3.34Å; I37-A39 PolarHBondContact O-N 3.06Å; I37-A40 PolarHBondContact O-N 3.18Å; I37-F41 WeakPolarHBondContact O-CD2 3.23Å; I37-F41 WeakPolarHBondContact O-CE2 3.46Å
38I93Very high94Very high121 Ų12168.2 Ų68.262%0.62137%0.365SS*.Hα-helixtrans-62.8-43.9-177.7-68.1165.9000110.6G34 W35 A40G34-I38 WeakPolarHBondContact O-CB 3.21Å; G34-I38 WeakPolarHBondContact O-CD1 3.32Å; G34-I38 VanDerWaalsContact O-CG1 3.25Å; G34-I38 WeakPolarHBondContact O-CG1 3.49Å; G34-I38 PolarHBondContact O-N 3.41Å; W35-I38 PolarHBondContact O-N 2.83Å; I38-A40 VanDerWaalsContact C-N 3.32Å; I38-A40 PolarHBondContact O-N 3.39Å
39A93.7Very high93.9Very high1 Ų167.8 Ų67.81%0.00836%0.364CS..Hα-helixtrans-78.3-15.1-172.800000113.5W35 I37 F41 V43 R48W35-A39 HydrophobicContact CD2-CB 4.05Å; W35-A39 HydrophobicContact CE3-CB 4.31Å; W35-A39 HydrophobicContact CH2-CB 4.06Å; W35-A39 HydrophobicContact CZ2-CB 3.77Å; W35-A39 HydrophobicContact CZ3-CB 4.32Å; W35-A39 WeakPolarHBondContact O-CB 3.41Å; W35-A39 PolarHBondContact O-N 3.47Å; I37-A39 VanDerWaalsContact C-N 3.34Å; I37-A39 PolarHBondContact O-N 3.06Å; A39-F41 PolarHBondContact O-N 2.59Å; A39-V43 HydrophobicContact CB-CB 3.9Å; A39-V43 HydrophobicContact CB-CG1 4.38Å; A39-V43 HydrophobicContact CB-CG2 3.9Å; A39-V43 WeakPolarHBondContact O-CB 3.41Å; A39-V43 PolarHBondContact O-N 3.49Å; A39-R48 HydrophobicContact CB-CG 3.78Å
40A90.7Very high93.9Very high61 Ų6171.1 Ų71.150%0.50438%0.382SS..THydrogen-bonded Turntrans-61.4-26.2-176.900000114.2R36 I37 I38R36-A40 WeakPolarHBondContact O-CB 3.44Å; R36-A40 PolarHBondContact O-N 3.36Å; I37-A40 PolarHBondContact O-N 3.18Å; I38-A40 VanDerWaalsContact C-N 3.32Å; I38-A40 PolarHBondContact O-N 3.39Å
41F87.4Confident93.9Very high171 Ų17170.6 Ų70.675%0.7538%0.377SS*.THydrogen-bonded Turntrans-101.7-25-169.5-59.6-78000114.7I37 A39I37-F41 WeakPolarHBondContact O-CD2 3.23Å; I37-F41 WeakPolarHBondContact O-CE2 3.46Å; A39-F41 PolarHBondContact O-N 2.59Å
42S85.7Confident93.9Very high113 Ų11368.4 Ų68.479%0.7936%0.358SS*.THydrogen-bonded Turntrans-142.82.3-166-50.90000114.8
43V93.1Very high93.9Very high41 Ų4169.1 Ų69.125%0.24836%0.362CS..SBendtrans-114.9130.6-173.7-177.10000110.2W35 A39 T47 R48W35-V43 HydrophobicContact CH2-CG1 4.25Å; W35-V43 HydrophobicContact CH2-CG2 4.47Å; W35-V43 HydrophobicContact CZ2-CG1 4.27Å; A39-V43 HydrophobicContact CB-CB 3.9Å; A39-V43 HydrophobicContact CB-CG1 4.38Å; A39-V43 HydrophobicContact CB-CG2 3.9Å; A39-V43 WeakPolarHBondContact O-CB 3.41Å; A39-V43 PolarHBondContact O-N 3.49Å; V43-T47 VanDerWaalsContact CG1-CB 3.47Å; V43-T47 HydrophobicContact CG1-CG2 3.52Å; V43-R48 HydrophobicContact CB-CG 4.01Å; V43-R48 HydrophobicContact CG1-CG 3.83Å; V43-R48 PolarHBondContact O-NE 2.81Å
44S94.4Very high94Very high68 Ų6871.5 Ų71.548%0.47637%0.373SS..  trans-58.3151.2178.7670000112R46 T47 R48S44-R46 VanDerWaalsContact C-N 3.26Å; S44-R46 PolarHBondContact O-N 3.07Å; S44-T47 PolarHBondContact O-N 2.95Å; S44-T47 VanDerWaalsContact O-N 3.08Å; S44-T47 WeakPolarHBondContact OG-CB 3.42Å; S44-T47 PolarHBondContact OG-N 3.1Å; S44-T47 PolarHBondContact OG-OG1 2.85Å; S44-R48 WeakPolarHBondContact O-CG 3.41Å; S44-R48 PolarHBondContact O-N 2.86Å
45E92.6Very high94.2Very high142 Ų14271.2 Ų71.266%0.66437%0.365SS*.Hα-helixtrans-55.3-42.7-178.9-44.3-140.1112.800112.4T47 R48 A49E45-T47 PolarHBondContact O-N 2.78Å; E45-R48 VanDerWaalsContact CD-NH2 3.29Å; E45-R48 WeakPolarHBondContact O-CB 3.27Å; E45-R48 PolarHBondContact O-N 3.19Å; E45-R48 IonicContact OE1-CZ 2.73Å; E45-R48 IonicContact OE1-NH2 3.67Å; E45-R48 PolarHBondContact OE1-NH2 3.31Å; E45-A49 PolarHBondContact O-N 2.91Å
46R94.7Very high94.3Very high132 Ų13269 Ų6950%0.49836%0.357SS..Hα-helixtrans-58.1-48.7175.4-177.1-179.3-174.6134.8-5.9111.9S44 R48 A49 L50 D165 V166S44-R46 VanDerWaalsContact C-N 3.26Å; S44-R46 PolarHBondContact O-N 3.07Å; R46-R48 VanDerWaalsContact C-N 3.33Å; R46-R48 PolarHBondContact O-N 2.82Å; R46-A49 PolarHBondContact O-N 3.4Å; R46-L50 HydrophobicContact CG-CD1 4.1Å; R46-L50 HydrophobicContact CG-CG 4.47Å; R46-L50 WeakPolarHBondContact O-CG 3.46Å; R46-L50 PolarHBondContact O-N 3.23Å; R46-D165 WeakPolarHBondContact CD-OD2 3.44Å; R46-D165 IonicContact CZ-OD2 2.77Å; R46-D165 IonicContact NE-OD2 3.26Å; R46-D165 IonicContact NH1-OD1 3.71Å; R46-D165 IonicContact NH1-OD2 3.07Å; R46-D165 PolarHBondContact NH1-OD2 2.74Å; R46-V166 HydrophobicContact CG-CG1 4.2Å
47T95.6Very high94.5Very high60 Ų6066.3 Ų66.337%0.36835%0.349SS..Hα-helixtrans-66.4-37.8-179.9-53.20000111.2V43 S44 E45 A49 L50 V51V43-T47 VanDerWaalsContact CG1-CB 3.47Å; V43-T47 HydrophobicContact CG1-CG2 3.52Å; S44-T47 PolarHBondContact O-N 2.95Å; S44-T47 VanDerWaalsContact O-N 3.08Å; S44-T47 WeakPolarHBondContact OG-CB 3.42Å; S44-T47 PolarHBondContact OG-N 3.1Å; S44-T47 PolarHBondContact OG-OG1 2.85Å; E45-T47 PolarHBondContact O-N 2.78Å; T47-A49 VanDerWaalsContact C-N 3.34Å; T47-A49 PolarHBondContact O-N 3.34Å; T47-L50 PolarHBondContact O-N 2.83Å; T47-V51 WeakPolarHBondContact O-CG2 3.48Å; T47-V51 PolarHBondContact O-N 3.18Å
48R95.5Very high94.7Very high85 Ų8563.4 Ų63.432%0.32133%0.334SS..Hα-helixtrans-57.8-46.6172.8-71.4-173.6-69.6138.41.9111.7W35 A39 V43 S44 E45 R46 D52W35-R48 PolarHBondContact NE1-O 3.42Å; A39-R48 HydrophobicContact CB-CG 3.78Å; V43-R48 HydrophobicContact CB-CG 4.01Å; V43-R48 HydrophobicContact CG1-CG 3.83Å; V43-R48 PolarHBondContact O-NE 2.81Å; S44-R48 WeakPolarHBondContact O-CG 3.41Å; S44-R48 PolarHBondContact O-N 2.86Å; E45-R48 VanDerWaalsContact CD-NH2 3.29Å; E45-R48 WeakPolarHBondContact O-CB 3.27Å; E45-R48 PolarHBondContact O-N 3.19Å; E45-R48 IonicContact OE1-CZ 2.73Å; E45-R48 IonicContact OE1-NH2 3.67Å; E45-R48 PolarHBondContact OE1-NH2 3.31Å; R46-R48 VanDerWaalsContact C-N 3.33Å; R46-R48 PolarHBondContact O-N 2.82Å; R48-D52 WeakPolarHBondContact O-CB 3.4Å; R48-D52 PolarHBondContact O-N 2.78Å
49A95.2Very high94.9Very high5 Ų558 Ų584%0.04131%0.306CS..Hα-helixtrans-65.8-46.3178.800000112.2E45 R46 T47 V51 D52 D53 L164 V166E45-A49 PolarHBondContact O-N 2.91Å; R46-A49 PolarHBondContact O-N 3.4Å; T47-A49 VanDerWaalsContact C-N 3.34Å; T47-A49 PolarHBondContact O-N 3.34Å; A49-V51 VanDerWaalsContact C-N 3.33Å; A49-V51 PolarHBondContact O-N 2.64Å; A49-D52 PolarHBondContact O-N 2.87Å; A49-D53 WeakPolarHBondContact O-CB 3.36Å; A49-D53 PolarHBondContact O-N 3.28Å; A49-L164 HydrophobicContact CB-CD1 3.9Å; A49-L164 HydrophobicContact CB-CG 4.25Å; A49-V166 HydrophobicContact CB-CG1 3.9Å; A49-V166 HydrophobicContact CB-CG2 4.13Å
50L96.2Very high95.1Very high82 Ų8258.1 Ų58.143%0.42931%0.307SS..Hα-helixtrans-60.1-40.7178.8-72.9173.4000112.7R46 T47 M54 V166R46-L50 HydrophobicContact CG-CD1 4.1Å; R46-L50 HydrophobicContact CG-CG 4.47Å; R46-L50 WeakPolarHBondContact O-CG 3.46Å; R46-L50 PolarHBondContact O-N 3.23Å; T47-L50 PolarHBondContact O-N 2.83Å; L50-M54 WeakPolarHBondContact O-CB 2.99Å; L50-M54 PolarHBondContact O-N 3.23Å; L50-V166 HydrophobicContact CD2-CB 4.35Å; L50-V166 HydrophobicContact CD2-CG1 3.69Å; L50-V166 HydrophobicContact CG-CG1 3.77Å
51V96.7Very high95.5Very high32 Ų3257.1 Ų57.119%0.19429%0.29CS..Hα-helixtrans-72.2-38.2177.2175.20000111.1W35 T47 A49 D53 M54 M55W35-V51 HydrophobicContact CD2-CB 4.22Å; W35-V51 HydrophobicContact CD2-CG1 3.54Å; W35-V51 VanDerWaalsContact CE2-CB 3.42Å; W35-V51 HydrophobicContact CE3-CG1 4.01Å; W35-V51 HydrophobicContact CG-CG1 4.01Å; W35-V51 HydrophobicContact CH2-CB 4.03Å; W35-V51 HydrophobicContact CH2-CG1 4.04Å; W35-V51 HydrophobicContact CH2-CG2 3.73Å; W35-V51 HydrophobicContact CZ2-CB 3.33Å; W35-V51 HydrophobicContact CZ2-CG1 3.57Å; W35-V51 HydrophobicContact CZ2-CG2 3.46Å; W35-V51 VanDerWaalsContact CZ2-CG2 3.46Å; W35-V51 HydrophobicContact CZ3-CG1 4.23Å; T47-V51 WeakPolarHBondContact O-CG2 3.48Å; T47-V51 PolarHBondContact O-N 3.18Å; A49-V51 VanDerWaalsContact C-N 3.33Å; A49-V51 PolarHBondContact O-N 2.64Å; V51-D53 VanDerWaalsContact C-N 3.32Å; V51-D53 PolarHBondContact O-N 2.74Å; V51-M54 HydrophobicContact CG1-CE 4.24Å; V51-M54 WeakPolarHBondContact O-CB 3.39Å; V51-M54 PolarHBondContact O-N 3.05Å; V51-M55 HydrophobicContact CG1-CG 4.48Å; V51-M55 HydrophobicContact CG1-SD 4.48Å; V51-M55 VanDerWaalsContact O-CG 3.27Å; V51-M55 WeakPolarHBondContact O-CG 3.47Å; V51-M55 PolarHBondContact O-N 3.26Å
52D96.8Very high96Very high5 Ų549.1 Ų49.13%0.02726%0.255CS..Hα-helixtrans-62.9-39.4174.1-167.462.8000111.7R36 R48 A49 M55 Y56 Y134 H138R36-D52 IonicContact CZ-OD1 3.73Å; R36-D52 IonicContact NE-OD1 2.73Å; R36-D52 IonicContact NH2-OD1 3.97Å; R36-D52 PolarHBondContact NH2-OD1 2.88Å; R36-D52 IonicContact NH2-OD2 2.82Å; R36-D52 PolarHBondContact NH2-OD2 3.48Å; R48-D52 WeakPolarHBondContact O-CB 3.4Å; R48-D52 PolarHBondContact O-N 2.78Å; A49-D52 PolarHBondContact O-N 2.87Å; D52-M55 PolarHBondContact O-N 2.87Å; D52-Y56 PolarHBondContact O-N 2.72Å; D52-Y134 PolarHBondContact O-OH 3.34Å; D52-Y134 PolarHBondContact OD1-OH 3.47Å; D52-H138 IonicContact OD2-CE1 3.77Å; D52-H138 IonicContact OD2-CG 2.7Å; D52-H138 IonicContact OD2-ND1 3.85Å; D52-H138 PolarHBondContact OD2-ND1 3.08Å
53D97.5Very high96.5Very high15 Ų1544.3 Ų44.38%0.0822%0.22CC..Hα-helixtrans-63.3-41.8171.9-77.63.7000112.2A49 V51 M55 Y56 S57 G115 R118 H138A49-D53 WeakPolarHBondContact O-CB 3.36Å; A49-D53 PolarHBondContact O-N 3.28Å; V51-D53 VanDerWaalsContact C-N 3.32Å; V51-D53 PolarHBondContact O-N 2.74Å; D53-M55 VanDerWaalsContact C-N 3.35Å; D53-Y56 PolarHBondContact O-N 3.09Å; D53-S57 VanDerWaalsContact O-CB 3.23Å; D53-S57 WeakPolarHBondContact O-CB 3.4Å; D53-S57 PolarHBondContact O-N 2.93Å; D53-G115 WeakPolarHBondContact O-CA 3.48Å; D53-R118 IonicContact OD1-CZ 4Å; D53-R118 IonicContact OD1-NH1 2.74Å; D53-R118 PolarHBondContact OD1-NH1 2.7Å; D53-R118 IonicContact OD1-NH2 3.26Å; D53-R118 PolarHBondContact OD1-NH2 2.92Å; D53-H138 IonicContact OD1-CE1 2.64Å; D53-H138 PolarHBondContact OD1-CE1 3.05Å; D53-H138 VanDerWaalsContact OD1-CE1 3.26Å
54M97.6Very high96.7Very high106 Ų10642.3 Ų42.352%0.52221%0.208SC..Hα-helixtrans-60.9-45.5174-177.9-171.273.600110.9L50 V51 S57 I58L50-M54 WeakPolarHBondContact O-CB 2.99Å; L50-M54 PolarHBondContact O-N 3.23Å; V51-M54 HydrophobicContact CG1-CE 4.24Å; V51-M54 WeakPolarHBondContact O-CB 3.39Å; V51-M54 PolarHBondContact O-N 3.05Å; M54-S57 WeakPolarHBondContact O-CB 3.42Å; M54-S57 PolarHBondContact O-N 3.5Å; M54-I58 HydrophobicContact CG-CD1 4.32Å; M54-I58 WeakPolarHBondContact O-CG1 3.31Å; M54-I58 PolarHBondContact O-N 3.27Å
55M97.7Very high96.9Very high20 Ų2040.5 Ų40.510%0.09919%0.193CC..Hα-helixtrans-61.7-47.8177.3-69.7-176.666.700111.4F28 A31 A32 W35 V51 D52 D53 S57 I58 Y59F28-M55 HydrophobicContact CE2-CB 4.1Å; F28-M55 HydrophobicContact CE2-CE 4.37Å; F28-M55 WeakPolarHBondContact CE2-O 3.22Å; F28-M55 HydrophobicContact CZ-CB 4.46Å; A31-M55 HydrophobicContact CB-CE 3.7Å; A32-M55 HydrophobicContact CB-CE 3.85Å; A32-M55 VanDerWaalsContact N-CE 3.29Å; W35-M55 HydrophobicContact CB-SD 4.03Å; W35-M55 HydrophobicContact CG-SD 4.24Å; V51-M55 HydrophobicContact CG1-CG 4.48Å; V51-M55 HydrophobicContact CG1-SD 4.48Å; V51-M55 VanDerWaalsContact O-CG 3.27Å; V51-M55 WeakPolarHBondContact O-CG 3.47Å; V51-M55 PolarHBondContact O-N 3.26Å; D52-M55 PolarHBondContact O-N 2.87Å; D53-M55 VanDerWaalsContact C-N 3.35Å; M55-S57 VanDerWaalsContact C-N 3.3Å; M55-S57 PolarHBondContact O-N 3Å; M55-I58 WeakPolarHBondContact O-CB 3.47Å; M55-I58 PolarHBondContact O-N 3.03Å; M55-Y59 PolarHBondContact O-N 3.08Å; M55-Y59 VanDerWaalsContact O-N 3.08Å
56Y98Very high97Very high11 Ų1134.7 Ų34.74%0.04317%0.166CC..Hα-helixtrans-58.1-44.6175.2-173.8-110.6000111.5D52 D53 I58 Y59 Q60 L117 Y134 H138D52-Y56 PolarHBondContact O-N 2.72Å; D53-Y56 PolarHBondContact O-N 3.09Å; Y56-I58 PolarHBondContact O-N 2.71Å; Y56-Y59 PolarHBondContact O-N 3.15Å; Y56-Y59 VanDerWaalsContact O-N 3.14Å; Y56-Q60 HydrophobicContact CD1-CG 3.8Å; Y56-Q60 HydrophobicContact CD2-CG 4.23Å; Y56-Q60 HydrophobicContact CE1-CG 3.47Å; Y56-Q60 VanDerWaalsContact CE1-CG 3.47Å; Y56-Q60 HydrophobicContact CE2-CG 4.02Å; Y56-Q60 HydrophobicContact CG-CG 4.19Å; Y56-Q60 VanDerWaalsContact CZ-NE2 3.28Å; Y56-Q60 WeakPolarHBondContact O-CG 3.12Å; Y56-Q60 PolarHBondContact O-N 2.82Å; Y56-Q60 PolarHBondContact OH-NE2 2.88Å; Y56-L117 HydrophobicContact CE1-CB 4.27Å; Y56-Y134 AromaticContact CD2-CE1 3.78Å; Y56-Y134 HydrophobicContact CD2-CE1 3.78Å; Y56-Y134 HydrophobicContact CE2-CE1 4.48Å; Y56-H138 VanDerWaalsContact CB-CE1 3.46Å; Y56-H138 WeakPolarHBondContact CB-CE1 3.32Å; Y56-H138 WeakPolarHBondContact CB-NE2 3.33Å; Y56-H138 AromaticContact CD1-NE2 3.3Å; Y56-H138 VanDerWaalsContact CD1-NE2 3.3Å; Y56-H138 WeakPolarHBondContact CD1-NE2 3.36Å; Y56-H138 AromaticContact CD2-CD2 3.75Å; Y56-H138 AromaticContact CD2-NE2 3.73Å; Y56-H138 AromaticContact CE1-NE2 3.88Å; Y56-H138 AromaticContact CE2-CD2 3.97Å; Y56-H138 AromaticContact CG-CD2 3.72Å; Y56-H138 AromaticContact CG-CE1 3.79Å; Y56-H138 AromaticContact CG-NE2 3.19Å
57S98.1Very high97.1Very high17 Ų1729 Ų2912%0.11914%0.144CC..Hα-helixtrans-58.2-44.3176.2-177.10000112.3D53 M54 M55 Y59 Q60 R61D53-S57 VanDerWaalsContact O-CB 3.23Å; D53-S57 WeakPolarHBondContact O-CB 3.4Å; D53-S57 PolarHBondContact O-N 2.93Å; M54-S57 WeakPolarHBondContact O-CB 3.42Å; M54-S57 PolarHBondContact O-N 3.5Å; M55-S57 VanDerWaalsContact C-N 3.3Å; M55-S57 PolarHBondContact O-N 3Å; S57-Y59 VanDerWaalsContact C-N 3.32Å; S57-Y59 PolarHBondContact O-N 3.49Å; S57-Q60 PolarHBondContact O-N 3.21Å; S57-R61 WeakPolarHBondContact O-CB 3.47Å; S57-R61 VanDerWaalsContact O-CG 3.26Å; S57-R61 WeakPolarHBondContact O-CG 3.3Å; S57-R61 PolarHBondContact O-N 3.23Å; S57-R61 PolarHBondContact OG-NE 3.04Å
58I98Very high97.1Very high43 Ų4326.4 Ų26.422%0.22113%0.128CC..Hα-helixtrans-56.7-49.6174.5-71.1165.6000109.9M54 M55 Y56 R61 F62 S324 L327M54-I58 HydrophobicContact CG-CD1 4.32Å; M54-I58 WeakPolarHBondContact O-CG1 3.31Å; M54-I58 PolarHBondContact O-N 3.27Å; M55-I58 WeakPolarHBondContact O-CB 3.47Å; M55-I58 PolarHBondContact O-N 3.03Å; Y56-I58 PolarHBondContact O-N 2.71Å; I58-R61 PolarHBondContact O-N 3.36Å; I58-F62 PolarHBondContact O-N 2.9Å; I58-S324 WeakPolarHBondContact O-CB 3.39Å; I58-S324 PolarHBondContact O-OG 2.92Å; I58-S324 VanDerWaalsContact O-OG 3.13Å; I58-L327 HydrophobicContact CD1-CD2 4.44Å; I58-L327 HydrophobicContact CG2-CD2 4.04Å
59Y98.1Very high97.1Very high8 Ų824.3 Ų24.33%0.03112%0.123CC..Hα-helixtrans-64.9-43.6-178.5-162.3-84.5000112.5V21 T24 F28 M55 Y56 S57 F62 L63 Y131 L328V21-Y59 PolarHBondContact O-OH 2.84Å; T24-Y59 PolarHBondContact OG1-OH 3.16Å; T24-Y59 VanDerWaalsContact OG1-OH 3.08Å; F28-Y59 HydrophobicContact CB-CD2 3.83Å; F28-Y59 HydrophobicContact CB-CE2 3.99Å; F28-Y59 AromaticContact CD1-CD2 3.97Å; F28-Y59 HydrophobicContact CD1-CD2 3.97Å; F28-Y59 HydrophobicContact CD1-CE2 4.41Å; F28-Y59 AromaticContact CD2-CD2 3.53Å; F28-Y59 HydrophobicContact CD2-CD2 3.53Å; F28-Y59 HydrophobicContact CD2-CE2 4.49Å; F28-Y59 HydrophobicContact CD2-CG 4.13Å; F28-Y59 HydrophobicContact CE1-CD2 4.44Å; F28-Y59 HydrophobicContact CE2-CD2 4.06Å; F28-Y59 HydrophobicContact CE2-CG 4.18Å; F28-Y59 AromaticContact CG-CD2 3.47Å; F28-Y59 HydrophobicContact CG-CD2 3.47Å; F28-Y59 VanDerWaalsContact CG-CD2 3.47Å; F28-Y59 HydrophobicContact CG-CE2 4.04Å; F28-Y59 HydrophobicContact CG-CG 4.3Å; F28-Y59 HydrophobicContact CZ-CD2 4.46Å; F28-Y59 HydrophobicContact CZ-CG 4.39Å; M55-Y59 PolarHBondContact O-N 3.08Å; M55-Y59 VanDerWaalsContact O-N 3.08Å; Y56-Y59 PolarHBondContact O-N 3.15Å; Y56-Y59 VanDerWaalsContact O-N 3.14Å; S57-Y59 VanDerWaalsContact C-N 3.32Å; S57-Y59 PolarHBondContact O-N 3.49Å; Y59-F62 WeakPolarHBondContact O-CB 3.19Å; Y59-F62 PolarHBondContact O-N 2.69Å; Y59-L63 HydrophobicContact CD1-CD1 4.07Å; Y59-L63 HydrophobicContact CD1-CG 4.24Å; Y59-L63 HydrophobicContact CE1-CD1 3.86Å; Y59-L63 HydrophobicContact CE1-CD2 4.13Å; Y59-L63 HydrophobicContact CE1-CG 4Å; Y59-L63 PolarHBondContact O-N 3.27Å; Y59-L63 VanDerWaalsContact O-N 3.17Å; Y59-Y131 AromaticContact CE1-CE1 3.89Å; Y59-Y131 HydrophobicContact CE1-CE1 3.89Å; Y59-Y131 HydrophobicContact CE2-CE1 4.3Å; Y59-Y131 AromaticContact CZ-CE1 3.6Å; Y59-Y131 WeakPolarHBondContact OH-CE1 3.25Å; Y59-Y131 PolarHBondContact OH-OH 3.02Å; Y59-L328 HydrophobicContact CD2-CD1 3.88Å; Y59-L328 HydrophobicContact CD2-CD2 4.4Å; Y59-L328 HydrophobicContact CE2-CD1 4.22Å
60Q98Very high97.1Very high4 Ų428.4 Ų28.42%0.01915%0.148CC..Hα-helixtrans-68.2-33.9178.1-65.1-50.3-41.600112.4Y56 S57 F62 L63 L64 N105 L114Y56-Q60 HydrophobicContact CD1-CG 3.8Å; Y56-Q60 HydrophobicContact CD2-CG 4.23Å; Y56-Q60 HydrophobicContact CE1-CG 3.47Å; Y56-Q60 VanDerWaalsContact CE1-CG 3.47Å; Y56-Q60 HydrophobicContact CE2-CG 4.02Å; Y56-Q60 HydrophobicContact CG-CG 4.19Å; Y56-Q60 VanDerWaalsContact CZ-NE2 3.28Å; Y56-Q60 WeakPolarHBondContact O-CG 3.12Å; Y56-Q60 PolarHBondContact O-N 2.82Å; Y56-Q60 PolarHBondContact OH-NE2 2.88Å; S57-Q60 PolarHBondContact O-N 3.21Å; Q60-F62 VanDerWaalsContact C-N 3.31Å; Q60-F62 PolarHBondContact O-N 3.4Å; Q60-L63 WeakPolarHBondContact O-CB 3.42Å; Q60-L63 PolarHBondContact O-N 3.39Å; Q60-L63 VanDerWaalsContact O-N 3.12Å; Q60-L64 WeakPolarHBondContact O-CG 3.27Å; Q60-L64 PolarHBondContact O-N 3.12Å; Q60-N105 PolarHBondContact OE1-ND2 3.3Å; Q60-L114 HydrophobicContact CB-CD1 3.79Å; Q60-L114 HydrophobicContact CB-CD2 3.55Å; Q60-L114 HydrophobicContact CB-CG 3.66Å; Q60-L114 HydrophobicContact CG-CD1 4.34Å; Q60-L114 HydrophobicContact CG-CG 4.34Å
61R98.2Very high97Very high40 Ų4025.6 Ų25.615%0.15114%0.135CC..Hα-helixtrans-61.6-38.2171.9-79.2168.1-175.2-82.82.4112.2S57 I58 L63 L64 L65 V109 L114 D320 T321 S324S57-R61 WeakPolarHBondContact O-CB 3.47Å; S57-R61 VanDerWaalsContact O-CG 3.26Å; S57-R61 WeakPolarHBondContact O-CG 3.3Å; S57-R61 PolarHBondContact O-N 3.23Å; S57-R61 PolarHBondContact OG-NE 3.04Å; I58-R61 PolarHBondContact O-N 3.36Å; R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L64 PolarHBondContact O-N 3.22Å; R61-L65 PolarHBondContact O-N 2.88Å; R61-V109 HydrophobicContact CG-CG2 4.49Å; R61-L114 HydrophobicContact CG-CD2 3.71Å; R61-D320 WeakPolarHBondContact CD-O 3.42Å; R61-D320 WeakPolarHBondContact CG-O 3.39Å; R61-D320 PolarHBondContact NH1-O 3.3Å; R61-D320 IonicContact NH1-OD1 3.9Å; R61-T321 WeakPolarHBondContact O-CB 3.17Å; R61-T321 WeakPolarHBondContact O-CG2 3.29Å; R61-S324 WeakPolarHBondContact CB-OG 3.37Å
62F97.9Very high96.9Very high3 Ų325.9 Ų25.91%0.01314%0.144CC..Hα-helixtrans-62.6-41171.4161.4-112.5000112.1V21 T24 I58 Y59 Q60 L65 F66 A325 L328V21-F62 HydrophobicContact CG2-CE1 4.2Å; V21-F62 HydrophobicContact CG2-CZ 4.47Å; T24-F62 HydrophobicContact CG2-CE1 3.9Å; T24-F62 HydrophobicContact CG2-CZ 3.79Å; T24-F62 VanDerWaalsContact OG1-CE1 3.3Å; T24-F62 WeakPolarHBondContact OG1-CE1 3.48Å; I58-F62 PolarHBondContact O-N 2.9Å; Y59-F62 WeakPolarHBondContact O-CB 3.19Å; Y59-F62 PolarHBondContact O-N 2.69Å; Q60-F62 VanDerWaalsContact C-N 3.31Å; Q60-F62 PolarHBondContact O-N 3.4Å; F62-L65 VanDerWaalsContact O-CB 3.24Å; F62-L65 WeakPolarHBondContact O-CB 3.42Å; F62-L65 PolarHBondContact O-N 3.25Å; F62-F66 HydrophobicContact CD2-CE2 4.09Å; F62-F66 HydrophobicContact CE1-CE2 4.38Å; F62-F66 AromaticContact CE2-CE2 3.5Å; F62-F66 HydrophobicContact CE2-CE2 3.5Å; F62-F66 VanDerWaalsContact CE2-CE2 3.5Å; F62-F66 AromaticContact CE2-CZ 3.98Å; F62-F66 HydrophobicContact CE2-CZ 3.98Å; F62-F66 AromaticContact CZ-CE2 3.67Å; F62-F66 HydrophobicContact CZ-CE2 3.67Å; F62-F66 HydrophobicContact CZ-CZ 4.3Å; F62-A325 HydrophobicContact CD2-CB 3.78Å; F62-A325 HydrophobicContact CE2-CB 4.46Å; F62-L328 HydrophobicContact CB-CD1 3.57Å; F62-L328 HydrophobicContact CD1-CD1 3.71Å; F62-L328 HydrophobicContact CG-CD1 3.69Å
63L97.4Very high96.9Very high11 Ų1126 Ų266%0.05815%0.145CC..Hα-helixtrans-67-37175.2-61.9-179.8000112.4V21 Y59 Q60 R61 L65 F66 F67 W101V21-L63 HydrophobicContact CB-CD2 4.46Å; V21-L63 HydrophobicContact CG1-CD2 3.8Å; V21-L63 HydrophobicContact CG2-CD2 3.77Å; Y59-L63 HydrophobicContact CD1-CD1 4.07Å; Y59-L63 HydrophobicContact CD1-CG 4.24Å; Y59-L63 HydrophobicContact CE1-CD1 3.86Å; Y59-L63 HydrophobicContact CE1-CD2 4.13Å; Y59-L63 HydrophobicContact CE1-CG 4Å; Y59-L63 PolarHBondContact O-N 3.27Å; Y59-L63 VanDerWaalsContact O-N 3.17Å; Q60-L63 WeakPolarHBondContact O-CB 3.42Å; Q60-L63 PolarHBondContact O-N 3.39Å; Q60-L63 VanDerWaalsContact O-N 3.12Å; R61-L63 VanDerWaalsContact C-N 3.34Å; L63-L65 PolarHBondContact O-N 2.76Å; L63-F66 PolarHBondContact O-N 3.14Å; L63-F67 HydrophobicContact CB-CD2 3.99Å; L63-F67 HydrophobicContact CB-CE2 3.55Å; L63-F67 HydrophobicContact CB-CZ 4.03Å; L63-F67 HydrophobicContact CD1-CE2 4.25Å; L63-F67 HydrophobicContact CG-CE2 4.38Å; L63-F67 VanDerWaalsContact O-CG 3.29Å; L63-F67 WeakPolarHBondContact O-CG 3.22Å; L63-F67 PolarHBondContact O-N 2.85Å; L63-W101 HydrophobicContact CD1-CH2 3.9Å; L63-W101 HydrophobicContact CD1-CZ3 4.06Å
64L97.7Very high96.9Very high0 Ų028.2 Ų28.20%016%0.155CC..Hα-helixtrans-63.5-25.4176.8-75.3169.4000113.4Q60 R61 F66 F67 E68 N69 N105 M106 V109 L114 I316 T321Q60-L64 WeakPolarHBondContact O-CG 3.27Å; Q60-L64 PolarHBondContact O-N 3.12Å; R61-L64 PolarHBondContact O-N 3.22Å; L64-F66 PolarHBondContact O-N 3.09Å; L64-F67 PolarHBondContact O-N 3.2Å; L64-E68 PolarHBondContact O-N 3.32Å; L64-N69 PolarHBondContact O-N 3.37Å; L64-N105 HydrophobicContact CD1-CB 4.33Å; L64-N105 HydrophobicContact CD2-CB 3.91Å; L64-N105 HydrophobicContact CG-CB 4.25Å; L64-M106 HydrophobicContact CD2-CB 4.4Å; L64-M106 HydrophobicContact CD2-CG 3.6Å; L64-V109 HydrophobicContact CD1-CB 3.88Å; L64-V109 HydrophobicContact CD1-CG1 3.86Å; L64-V109 HydrophobicContact CD1-CG2 4.19Å; L64-L114 HydrophobicContact CD1-CD1 4.3Å; L64-L114 HydrophobicContact CD1-CD2 3.87Å; L64-I316 HydrophobicContact CB-CD1 4.26Å; L64-I316 HydrophobicContact CD1-CD1 4.08Å; L64-I316 HydrophobicContact CD2-CD1 4.02Å; L64-I316 HydrophobicContact CG-CD1 4.36Å; L64-T321 HydrophobicContact CB-CG2 4.01Å
65L96.9Very high96.9Very high30 Ų3023.3 Ų23.316%0.15713%0.131CC..Iπ-helixtrans-52.5-45.1167.9-17964.5000110.4R61 F62 L63 N69 V70 L318 I322 A325R61-L65 PolarHBondContact O-N 2.88Å; F62-L65 VanDerWaalsContact O-CB 3.24Å; F62-L65 WeakPolarHBondContact O-CB 3.42Å; F62-L65 PolarHBondContact O-N 3.25Å; L63-L65 PolarHBondContact O-N 2.76Å; L65-N69 HydrophobicContact CD1-CB 4.13Å; L65-N69 CarbonylContact O-C 3.57Å; L65-N69 VanDerWaalsContact O-CB 3.3Å; L65-N69 WeakPolarHBondContact O-CB 3.41Å; L65-N69 PolarHBondContact O-N 3.19Å; L65-V70 WeakPolarHBondContact O-CG2 3.33Å; L65-V70 PolarHBondContact O-N 3.46Å; L65-L318 HydrophobicContact CD1-CD2 4.07Å; L65-I322 HydrophobicContact CD1-CG1 4.44Å; L65-A325 HydrophobicContact CD2-CB 3.7Å
66F95.7Very high96.9Very high20 Ų2022.9 Ų22.99%0.08813%0.129CC..Iπ-helixtrans-81.9-42179.8-56.3-71.6000112.4L17 M20 F62 L63 L64 V70 S71 V254L17-F66 HydrophobicContact CD1-CB 4.03Å; L17-F66 HydrophobicContact CD1-CD1 3.41Å; L17-F66 VanDerWaalsContact CD1-CD1 3.41Å; L17-F66 HydrophobicContact CD1-CD2 3.68Å; L17-F66 HydrophobicContact CD1-CE1 3.66Å; L17-F66 HydrophobicContact CD1-CE2 3.9Å; L17-F66 HydrophobicContact CD1-CG 3.41Å; L17-F66 VanDerWaalsContact CD1-CG 3.41Å; L17-F66 HydrophobicContact CD1-CZ 3.9Å; M20-F66 HydrophobicContact CE-CE1 4.27Å; M20-F66 HydrophobicContact CE-CZ 3.85Å; F62-F66 HydrophobicContact CD2-CE2 4.09Å; F62-F66 HydrophobicContact CE1-CE2 4.38Å; F62-F66 AromaticContact CE2-CE2 3.5Å; F62-F66 HydrophobicContact CE2-CE2 3.5Å; F62-F66 VanDerWaalsContact CE2-CE2 3.5Å; F62-F66 AromaticContact CE2-CZ 3.98Å; F62-F66 HydrophobicContact CE2-CZ 3.98Å; F62-F66 AromaticContact CZ-CE2 3.67Å; F62-F66 HydrophobicContact CZ-CE2 3.67Å; F62-F66 HydrophobicContact CZ-CZ 4.3Å; L63-F66 PolarHBondContact O-N 3.14Å; L64-F66 PolarHBondContact O-N 3.09Å; F66-V70 HydrophobicContact CD1-CG2 4.29Å; F66-S71 WeakPolarHBondContact O-CB 3.3Å; F66-S71 PolarHBondContact O-N 3.46Å; F66-V254 HydrophobicContact CB-CG1 3.78Å
67F96.4Very high96.7Very high11 Ų1124.6 Ų24.65%0.04814%0.139CC..Iπ-helixtrans-73.6-28.9-171.7-61-18.1000113.5L63 L64 S71 V73 F99 W101 A102 M106 L250 V254L63-F67 HydrophobicContact CB-CD2 3.99Å; L63-F67 HydrophobicContact CB-CE2 3.55Å; L63-F67 HydrophobicContact CB-CZ 4.03Å; L63-F67 HydrophobicContact CD1-CE2 4.25Å; L63-F67 HydrophobicContact CG-CE2 4.38Å; L63-F67 VanDerWaalsContact O-CG 3.29Å; L63-F67 WeakPolarHBondContact O-CG 3.22Å; L63-F67 PolarHBondContact O-N 2.85Å; L64-F67 PolarHBondContact O-N 3.2Å; F67-S71 PolarHBondContact O-OG 2.81Å; F67-V73 WeakPolarHBondContact O-CG2 3.18Å; F67-F99 HydrophobicContact CB-CE2 3.95Å; F67-F99 HydrophobicContact CB-CZ 3.75Å; F67-F99 AromaticContact CD1-CE2 3.92Å; F67-F99 HydrophobicContact CD1-CE2 3.92Å; F67-F99 AromaticContact CG-CE2 3.95Å; F67-F99 HydrophobicContact CG-CE2 3.95Å; F67-F99 HydrophobicContact CG-CZ 4.25Å; F67-F99 WeakPolarHBondContact O-CZ 3.46Å; F67-W101 HydrophobicContact CD2-CH2 4.38Å; F67-W101 AromaticContact CE2-CH2 3.18Å; F67-W101 HydrophobicContact CE2-CH2 3.18Å; F67-W101 AromaticContact CE2-CZ2 3.73Å; F67-W101 HydrophobicContact CE2-CZ2 3.73Å; F67-W101 AromaticContact CE2-CZ3 3.65Å; F67-W101 HydrophobicContact CE2-CZ3 3.65Å; F67-W101 AromaticContact CZ-CH2 3.45Å; F67-W101 HydrophobicContact CZ-CH2 3.45Å; F67-W101 VanDerWaalsContact CZ-CH2 3.45Å; F67-W101 AromaticContact CZ-CZ2 3.7Å; F67-W101 HydrophobicContact CZ-CZ2 3.7Å; F67-W101 HydrophobicContact CZ-CZ3 4.36Å; F67-A102 HydrophobicContact CB-CB 4.19Å; F67-A102 HydrophobicContact CD2-CB 3.46Å; F67-A102 VanDerWaalsContact CD2-CB 3.46Å; F67-A102 HydrophobicContact CE2-CB 3.98Å; F67-A102 HydrophobicContact CG-CB 3.94Å; F67-M106 VanDerWaalsContact C-CE 3.48Å; F67-M106 HydrophobicContact CB-CE 3.78Å; F67-M106 WeakPolarHBondContact O-CE 3.35Å; F67-L250 HydrophobicContact CD1-CD1 4.24Å; F67-L250 HydrophobicContact CE1-CD1 3.66Å; F67-L250 HydrophobicContact CZ-CD1 4.03Å; F67-V254 HydrophobicContact CD1-CG2 3.58Å; F67-V254 HydrophobicContact CE1-CG2 4.03Å
68E96.6Very high96.6Very high7 Ų724.4 Ų24.43%0.03314%0.135CC..Iπ-helixtrans-120.3-50.4178-154.3-177120.100113.1L64 S71 G72 V73 M106 R110 P315 I316L64-E68 PolarHBondContact O-N 3.32Å; E68-S71 PolarHBondContact O-OG 2.52Å; E68-G72 WeakPolarHBondContact O-CA 3.43Å; E68-G72 PolarHBondContact O-N 3.49Å; E68-V73 HydrophobicContact CG-CG2 4.18Å; E68-M106 HydrophobicContact CB-CE 3.99Å; E68-M106 HydrophobicContact CB-CG 4.41Å; E68-M106 HydrophobicContact CG-CE 4.31Å; E68-M106 HydrophobicContact CG-SD 4.33Å; E68-M106 WeakPolarHBondContact OE2-CB 3.33Å; E68-M106 VanDerWaalsContact OE2-CG 3.22Å; E68-M106 WeakPolarHBondContact OE2-CG 3.45Å; E68-R110 VanDerWaalsContact CD-NH2 3.26Å; E68-R110 IonicContact OE1-CZ 2.68Å; E68-R110 IonicContact OE1-NH1 2.81Å; E68-R110 IonicContact OE1-NH2 2.8Å; E68-R110 PolarHBondContact OE1-NH2 2.64Å; E68-R110 IonicContact OE2-CZ 2.79Å; E68-R110 IonicContact OE2-NH1 3.98Å; E68-R110 PolarHBondContact OE2-NH1 3.45Å; E68-R110 IonicContact OE2-NH2 3.54Å; E68-R110 PolarHBondContact OE2-NH2 3.08Å; E68-P315 WeakPolarHBondContact OE1-CA 3.45Å; E68-I316 HydrophobicContact CB-CD1 4.07Å; E68-I316 VanDerWaalsContact CD-CD1 3.44Å; E68-I316 HydrophobicContact CG-CD1 4.37Å; E68-I316 WeakPolarHBondContact OE1-CG1 3.48Å; E68-I316 PolarHBondContact OE1-N 2.95Å; E68-I316 WeakPolarHBondContact OE2-CD1 3.48Å; E68-I316 WeakPolarHBondContact OE2-CG1 3.41Å
69N95.5Very high96.2Very high41 Ų4124.1 Ų24.122%0.21914%0.137CC..Iπ-helixtrans-70-44.3-173.9-59.4124.1000112.9L64 L65 I316 L318 T321L64-N69 PolarHBondContact O-N 3.37Å; L65-N69 HydrophobicContact CD1-CB 4.13Å; L65-N69 CarbonylContact O-C 3.57Å; L65-N69 VanDerWaalsContact O-CB 3.3Å; L65-N69 WeakPolarHBondContact O-CB 3.41Å; L65-N69 PolarHBondContact O-N 3.19Å; N69-I316 PolarHBondContact ND2-O 3.21Å; N69-L318 HydrophobicContact CB-CD2 3.83Å; N69-T321 WeakPolarHBondContact OD1-CB 3.39Å; N69-T321 VanDerWaalsContact OD1-CG2 3.28Å; N69-T321 WeakPolarHBondContact OD1-CG2 3.39Å; N69-T321 PolarHBondContact OD1-OG1 2.83Å
70V93.6Very high95.5Very high91 Ų9129.6 Ų29.655%0.55217%0.167SC*.Iπ-helixtrans-82.4-42.4-178.8173.60000111.9L65 F66 G72L65-V70 WeakPolarHBondContact O-CG2 3.33Å; L65-V70 PolarHBondContact O-N 3.46Å; F66-V70 HydrophobicContact CD1-CG2 4.29Å; V70-G72 PolarHBondContact O-N 3.24Å
71S94.6Very high94.6Very high22 Ų2230.7 Ų30.715%0.15418%0.177CC..THydrogen-bonded Turntrans-65.5-27.317869.10000112.4F66 F67 E68 V73 V253F66-S71 WeakPolarHBondContact O-CB 3.3Å; F66-S71 PolarHBondContact O-N 3.46Å; F67-S71 PolarHBondContact O-OG 2.81Å; E68-S71 PolarHBondContact O-OG 2.52Å; S71-V73 PolarHBondContact O-N 3.45Å; S71-V73 PolarHBondContact OG-N 2.92Å; S71-V253 WeakPolarHBondContact CB-O 3.33Å
72G95.2Very high93.4Very high38 Ų3837.2 Ų37.239%0.39221%0.209SC..  trans68.414.2-177.300000114E68 V70 F259E68-G72 WeakPolarHBondContact O-CA 3.43Å; E68-G72 PolarHBondContact O-N 3.49Å; V70-G72 PolarHBondContact O-N 3.24Å; G72-F259 WeakPolarHBondContact O-CE2 3.3Å
73V97.2Very high92.4Very high9 Ų940.1 Ų40.16%0.05523%0.227CC..PPolyproline II helixtrans-57.3143.3-179-63.50000111.8F67 E68 S71 M106 V253 Y260 I262F67-V73 WeakPolarHBondContact O-CG2 3.18Å; E68-V73 HydrophobicContact CG-CG2 4.18Å; S71-V73 PolarHBondContact O-N 3.45Å; S71-V73 PolarHBondContact OG-N 2.92Å; V73-M106 HydrophobicContact CG2-CE 3.77Å; V73-M106 HydrophobicContact CG2-SD 4.17Å; V73-V253 HydrophobicContact CG1-CG1 3.49Å; V73-V253 VanDerWaalsContact CG1-CG1 3.49Å; V73-Y260 WeakPolarHBondContact CA-O 3.36Å; V73-I262 HydrophobicContact CB-CD1 4.01Å; V73-I262 HydrophobicContact CB-CG1 4.44Å; V73-I262 HydrophobicContact CG1-CD1 4.28Å; V73-I262 HydrophobicContact CG2-CD1 3.98Å
74Q97.2Very high91.7Very high61 Ų6143.5 Ų43.529%0.28525%0.245SC..EExtended strand (participates in β ladder)trans-102118.8177.6-179.6174.96600110.3I76 F259 Y260 K261 I262 V312Q74-I76 HydrophobicContact CG-CG1 4.19Å; Q74-F259 HydrophobicContact CB-CZ 3.96Å; Q74-Y260 PolarHBondContact N-O 3.06Å; Q74-K261 HydrophobicContact CB-CG 4.33Å; Q74-K261 CarbonylContact O-C 3.56Å; Q74-K261 WeakPolarHBondContact O-CA 3.46Å; Q74-I262 PolarHBondContact O-N 3.18Å; Q74-V312 HydrophobicContact CG-CG1 3.92Å
75L97.5Very high91.1Very high3 Ų346.3 Ų46.32%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-89.2127.9175.9-169.669000110.7V103 M106 L107 I262 V264 C313L75-V103 HydrophobicContact CD1-CG1 4.05Å; L75-M106 HydrophobicContact CD2-CB 4.12Å; L75-L107 HydrophobicContact CD2-CD2 3.87Å; L75-L107 HydrophobicContact CD2-CG 4.33Å; L75-I262 HydrophobicContact CD1-CB 4.07Å; L75-I262 HydrophobicContact CD1-CG2 4.05Å; L75-V264 HydrophobicContact CD1-CG2 3.58Å; L75-C313 HydrophobicContact CB-CB 4.07Å; L75-C313 HydrophobicContact CD2-CB 4.27Å; L75-C313 HydrophobicContact CG-CB 4.35Å; L75-C313 WeakPolarHBondContact O-CB 3.08Å; L75-C313 PolarHBondContact O-N 3.44Å
76I96.6Very high90.7Very high10 Ų1050.8 Ų50.85%0.05129%0.293CS..EExtended strand (participates in β ladder)trans-123.4117.1-179-57.8175.8000108.4Q74 Y78 K261 I262 H263 V264 V312Q74-I76 HydrophobicContact CG-CG1 4.19Å; I76-Y78 HydrophobicContact CB-CE2 4.36Å; I76-Y78 HydrophobicContact CG2-CD2 4.44Å; I76-Y78 HydrophobicContact CG2-CE2 3.65Å; I76-K261 HydrophobicContact CD1-CB 4.1Å; I76-K261 HydrophobicContact CD1-CD 4.01Å; I76-K261 HydrophobicContact CD1-CG 4.29Å; I76-I262 PolarHBondContact N-O 3.19Å; I76-H263 CarbonylContact O-C 3.59Å; I76-H263 WeakPolarHBondContact O-CA 3.4Å; I76-V264 PolarHBondContact O-N 3.32Å; I76-V312 HydrophobicContact CG1-CG2 4.43Å
77L95.2Very high90.5Very high48 Ų4850 Ų5025%0.25129%0.289SS..EExtended strand (participates in β ladder)trans-101.1135.5-174.6-176.167.2000111.7L107 V264 I266 S310 V311L77-L107 HydrophobicContact CD1-CD2 4.27Å; L77-V264 CarbonylContact C-O 3.55Å; L77-V264 WeakPolarHBondContact CA-O 3.49Å; L77-V264 HydrophobicContact CD1-CB 4.42Å; L77-V264 HydrophobicContact CD1-CG1 4.43Å; L77-I266 HydrophobicContact CD1-CD1 3.71Å; L77-I266 HydrophobicContact CD1-CG1 3.93Å; L77-S310 CarbonylContact O-C 3.46Å; L77-S310 WeakPolarHBondContact O-CA 3.45Å; L77-V311 PolarHBondContact N-O 2.98Å; L77-V311 PolarHBondContact O-N 3.34Å
78Y94.9Very high90.6Very high12 Ų1250.9 Ų50.95%0.04729%0.293CS..EExtended strand (participates in β ladder)trans-120.792.1173.8-58.4-105.4000107.7I76 H263 V264 H265 I266 L305 K308 S310I76-Y78 HydrophobicContact CB-CE2 4.36Å; I76-Y78 HydrophobicContact CG2-CD2 4.44Å; I76-Y78 HydrophobicContact CG2-CE2 3.65Å; Y78-H263 HydrophobicContact CE2-CB 3.76Å; Y78-H263 AromaticContact CE2-ND1 3.46Å; Y78-H263 WeakPolarHBondContact CE2-ND1 3.32Å; Y78-H263 AromaticContact CZ-ND1 3.55Å; Y78-H263 PolarHBondContact OH-CE1 3Å; Y78-H263 PolarHBondContact OH-ND1 3.44Å; Y78-V264 PolarHBondContact N-O 3.39Å; Y78-H265 VanDerWaalsContact O-CA 3.27Å; Y78-H265 WeakPolarHBondContact O-CA 3.14Å; Y78-H265 PolarHBondContact O-CD2 3.37Å; Y78-I266 PolarHBondContact O-N 3.31Å; Y78-I266 VanDerWaalsContact O-N 3.11Å; Y78-L305 HydrophobicContact CD1-CB 4.13Å; Y78-L305 HydrophobicContact CD2-CB 4.39Å; Y78-L305 HydrophobicContact CD2-CD2 4.25Å; Y78-L305 HydrophobicContact CE1-CB 4Å; Y78-L305 HydrophobicContact CE2-CB 4.31Å; Y78-L305 HydrophobicContact CG-CB 4.34Å; Y78-K308 HydrophobicContact CD1-CB 4.38Å; Y78-S310 VanDerWaalsContact CE1-CB 3.45Å
79S89.9Confident90.6Very high37 Ų3750.5 Ų50.526%0.25929%0.291SS..  trans-157.3142.9-178.7-166.20000111.7A81 I266S79-A81 VanDerWaalsContact OG-CB 3.25Å; S79-A81 WeakPolarHBondContact OG-CB 3.22Å; S79-A81 PolarHBondContact OG-N 2.96Å; S79-A81 VanDerWaalsContact OG-N 3.08Å; S79-I266 WeakPolarHBondContact CB-O 3.29Å; S79-I266 PolarHBondContact OG-O 3.4Å
80D83.1Confident90.7Very high124 Ų12448.6 Ų48.666%0.66328%0.281SS*.  trans-110.910.4167-45.8-65.8000110.1E82 K308D80-E82 PolarHBondContact O-N 2.84Å; D80-K308 WeakPolarHBondContact OD2-CE 3.45Å; D80-K308 IonicContact OD2-NZ 3.15Å; D80-K308 PolarHBondContact OD2-NZ 3.25Å
81A79.2Confident90.9Very high27 Ų2745 Ų4522%0.22326%0.258CS..  trans-73.4124.6-17200000111.1S79 T83 R268S79-A81 VanDerWaalsContact OG-CB 3.25Å; S79-A81 WeakPolarHBondContact OG-CB 3.22Å; S79-A81 PolarHBondContact OG-N 2.96Å; S79-A81 VanDerWaalsContact OG-N 3.08Å; A81-T83 PolarHBondContact O-N 3.03Å; A81-T83 VanDerWaalsContact O-N 3.15Å; A81-R268 HydrophobicContact CB-CB 3.79Å
82E73.4Confident91.1Very high176 Ų17644 Ų4482%0.82225%0.25SS*.  trans-70.5103.9162.8-66.1-178.5175.900108.5D80 R268D80-E82 PolarHBondContact O-N 2.84Å; E82-R268 WeakPolarHBondContact O-CD 3.41Å
83T77.3Confident91.2Very high65 Ų6542.2 Ų42.240%0.39923%0.232SC..  trans-83.9134.417655.60000110.5A81 Y228A81-T83 PolarHBondContact O-N 3.03Å; A81-T83 VanDerWaalsContact O-N 3.15Å; T83-Y228 WeakPolarHBondContact CA-OH 3.41Å; T83-Y228 HydrophobicContact CG2-CE1 4.01Å
84N82.3Confident91.3Very high81 Ų8141.8 Ų41.843%0.43323%0.229SC..  trans-103.1124175.6-175.2-18.8000110.2D86 E87 R113N84-D86 PolarHBondContact O-N 2.88Å; N84-D86 PolarHBondContact OD1-N 2.79Å; N84-E87 HydrophobicContact CB-CB 4.11Å; N84-E87 HydrophobicContact CB-CG 4.39Å; N84-E87 PolarHBondContact N-OE1 3.47Å; N84-E87 WeakPolarHBondContact O-CG 3.42Å; N84-E87 PolarHBondContact O-N 3.27Å; N84-R113 PolarHBondContact O-NH1 3.49Å
85A83.8Confident91.3Very high59 Ų5940.7 Ų40.749%0.48822%0.224SC..THydrogen-bonded Turntrans-64.9-23.2-177.400000113.6R113A85-R113 PolarHBondContact O-NH1 3.45Å
86D89.3Confident91.2Very high125 Ų12541.1 Ų41.167%0.66823%0.226SC*.THydrogen-bonded Turntrans-99.3-6.4-174.3-63.7-42.4000113.7N84N84-D86 PolarHBondContact O-N 2.88Å; N84-D86 PolarHBondContact OD1-N 2.79Å
87E92.8Very high91.2Very high4 Ų440.7 Ų40.72%0.01922%0.224CC..  trans-75.2154.4-171.983.2-164.3142.600113.1N84 A89 R113 D225 Y228 R268N84-E87 HydrophobicContact CB-CB 4.11Å; N84-E87 HydrophobicContact CB-CG 4.39Å; N84-E87 PolarHBondContact N-OE1 3.47Å; N84-E87 WeakPolarHBondContact O-CG 3.42Å; N84-E87 PolarHBondContact O-N 3.27Å; E87-A89 HydrophobicContact CG-CB 4.2Å; E87-R113 PolarHBondContact O-NH1 3.34Å; E87-R113 PolarHBondContact O-NH2 3.31Å; E87-D225 VanDerWaalsContact CA-OD2 3.25Å; E87-D225 WeakPolarHBondContact CA-OD2 3.42Å; E87-D225 HydrophobicContact CB-CB 4.01Å; E87-D225 WeakPolarHBondContact CB-OD2 3.42Å; E87-Y228 WeakPolarHBondContact OE1-CE2 3.27Å; E87-Y228 PolarHBondContact OE1-OH 3.14Å; E87-R268 IonicContact OE1-NE 3.57Å; E87-R268 IonicContact OE2-CZ 2.72Å; E87-R268 VanDerWaalsContact OE2-CZ 3.26Å; E87-R268 IonicContact OE2-NE 3.21Å; E87-R268 PolarHBondContact OE2-NE 3.38Å; E87-R268 IonicContact OE2-NH2 2.93Å; E87-R268 PolarHBondContact OE2-NH2 3.1Å
88K97.2Very high91.2Very high28 Ų2840.1 Ų40.112%0.12222%0.224CC..  trans-93.3126.2162.2-69.3-174.1-177.4-173.80109.6L161 R162 L164 V166 T168 F224 D225K88-L161 PolarHBondContact NZ-O 2.85Å; K88-R162 PolarHBondContact NZ-O 3.25Å; K88-L164 WeakPolarHBondContact CE-O 3.36Å; K88-L164 PolarHBondContact NZ-O 2.97Å; K88-V166 WeakPolarHBondContact CE-O 3.47Å; K88-T168 CarbonylContact C-O 3.46Å; K88-T168 VanDerWaalsContact CA-O 3.27Å; K88-T168 WeakPolarHBondContact CA-O 3.35Å; K88-F224 HydrophobicContact CB-CB 4.34Å; K88-F224 HydrophobicContact CB-CD1 3.92Å; K88-F224 HydrophobicContact CB-CD2 3.9Å; K88-F224 HydrophobicContact CB-CE1 4.14Å; K88-F224 HydrophobicContact CB-CE2 4.13Å; K88-F224 HydrophobicContact CB-CG 3.79Å; K88-F224 HydrophobicContact CB-CZ 4.24Å; K88-F224 HydrophobicContact CD-CD2 4.13Å; K88-F224 HydrophobicContact CD-CE2 3.95Å; K88-F224 HydrophobicContact CD-CZ 4.49Å; K88-F224 CarbonylContact O-C 3.6Å; K88-F224 WeakPolarHBondContact O-CA 3.4Å; K88-D225 PolarHBondContact N-OD2 3.25Å; K88-D225 PolarHBondContact O-N 2.68Å
89A96.8Very high91.4Very high0 Ų039.5 Ų39.50%022%0.222CC..EExtended strand (participates in β ladder)trans-132.6139.4-168.400000112.9E87 Y91 T168 S169 L170 F224 A226 Y228E87-A89 HydrophobicContact CG-CB 4.2Å; A89-Y91 HydrophobicContact CB-CD2 4.3Å; A89-Y91 HydrophobicContact CB-CE2 3.72Å; A89-T168 PolarHBondContact N-O 3.15Å; A89-S169 CarbonylContact O-C 3.56Å; A89-S169 WeakPolarHBondContact O-CA 3.29Å; A89-L170 PolarHBondContact O-N 2.94Å; A89-F224 VanDerWaalsContact C-CD1 3.42Å; A89-F224 WeakPolarHBondContact O-CE1 3.5Å; A89-A226 WeakPolarHBondContact CA-O 3.3Å; A89-Y228 HydrophobicContact CB-CD2 3.68Å; A89-Y228 HydrophobicContact CB-CE2 3.77Å
90L97.7Very high91.7Very high0 Ų037.8 Ų37.80%021%0.209CC..EExtended strand (participates in β ladder)trans-93.8135.4164.7-61.9-170.4000108.7L170 M216 L220 F224 A226 V227 Y228 M271L90-L170 HydrophobicContact CD2-CB 3.91Å; L90-L170 HydrophobicContact CD2-CD2 4.21Å; L90-L170 HydrophobicContact CD2-CG 4.45Å; L90-M216 HydrophobicContact CB-CE 4.38Å; L90-M216 HydrophobicContact CD1-CB 4.03Å; L90-M216 HydrophobicContact CD1-CE 4.03Å; L90-M216 HydrophobicContact CD2-CE 3.5Å; L90-M216 VanDerWaalsContact CD2-CE 3.5Å; L90-M216 HydrophobicContact CG-CE 4.19Å; L90-L220 HydrophobicContact CD2-CD1 3.69Å; L90-F224 HydrophobicContact CD2-CD1 3.48Å; L90-F224 VanDerWaalsContact CD2-CD1 3.48Å; L90-F224 HydrophobicContact CD2-CE1 3.6Å; L90-F224 HydrophobicContact CD2-CG 4.33Å; L90-F224 HydrophobicContact CG-CD1 3.82Å; L90-F224 HydrophobicContact CG-CE1 4.43Å; L90-F224 HydrophobicContact CG-CG 4.48Å; L90-A226 PolarHBondContact N-O 3.49Å; L90-V227 HydrophobicContact CB-CG2 4.09Å; L90-V227 HydrophobicContact CD1-CG2 4.41Å; L90-V227 CarbonylContact O-C 3.52Å; L90-V227 VanDerWaalsContact O-CA 3.26Å; L90-V227 WeakPolarHBondContact O-CA 3.23Å; L90-Y228 PolarHBondContact O-N 3.08Å; L90-M271 HydrophobicContact CD1-CE 3.89Å; L90-M271 HydrophobicContact CG-CE 4.06Å
91Y97.7Very high92.4Very high17 Ų1735.5 Ų35.57%0.06719%0.192CC..EExtended strand (participates in β ladder)trans-110.8130.8171.9-71.9-100.8000109.2A89 F104 S169 L170 V171 L172 Y228 V230A89-Y91 HydrophobicContact CB-CD2 4.3Å; A89-Y91 HydrophobicContact CB-CE2 3.72Å; Y91-F104 HydrophobicContact CD1-CD1 4.31Å; Y91-F104 AromaticContact CD1-CE1 3.57Å; Y91-F104 HydrophobicContact CD1-CE1 3.57Å; Y91-F104 HydrophobicContact CE1-CE1 4.35Å; Y91-F104 AromaticContact CG-CE1 3.88Å; Y91-F104 HydrophobicContact CG-CE1 3.88Å; Y91-S169 WeakPolarHBondContact CE2-OG 3.28Å; Y91-L170 PolarHBondContact N-O 3.42Å; Y91-V171 HydrophobicContact CG-CG2 4.47Å; Y91-L172 PolarHBondContact O-N 2.84Å; Y91-Y228 WeakPolarHBondContact CA-O 3.32Å; Y91-Y228 HydrophobicContact CD1-CG 4.04Å; Y91-Y228 VanDerWaalsContact CE1-CB 3.42Å; Y91-Y228 HydrophobicContact CE1-CD1 4.11Å; Y91-Y228 HydrophobicContact CE1-CD2 4.11Å; Y91-Y228 AromaticContact CE1-CG 3.61Å; Y91-Y228 HydrophobicContact CE1-CG 3.61Å; Y91-Y228 HydrophobicContact CE2-CD2 4.21Å; Y91-Y228 HydrophobicContact CE2-CG 4.5Å; Y91-Y228 AromaticContact CZ-CD2 3.89Å; Y91-Y228 AromaticContact CZ-CG 3.87Å; Y91-V230 HydrophobicContact CD1-CG2 3.76Å; Y91-V230 HydrophobicContact CE1-CG2 4.41Å
92I98.2Very high93.3Very high0 Ų034.2 Ų34.20%018%0.181CC..EExtended strand (participates in β ladder)trans-116.1126.6170.558.1169.9000109.5L172 P174 M213 V227 Y228 D229 V230 W284 L285 K292I92-L172 WeakPolarHBondContact CA-O 3.34Å; I92-L172 HydrophobicContact CG2-CD2 4.35Å; I92-P174 HydrophobicContact CB-CG 4.08Å; I92-P174 HydrophobicContact CG2-CG 4.09Å; I92-M213 HydrophobicContact CG2-CE 4.46Å; I92-M213 HydrophobicContact CG2-SD 3.83Å; I92-V227 HydrophobicContact CD1-CG1 4Å; I92-V227 HydrophobicContact CG1-CG1 3.82Å; I92-V227 HydrophobicContact CG2-CG1 4.3Å; I92-Y228 PolarHBondContact N-O 3.49Å; I92-D229 HydrophobicContact CD1-CB 4.39Å; I92-D229 WeakPolarHBondContact CD1-OD1 3.44Å; I92-D229 HydrophobicContact CG1-CB 4.22Å; I92-D229 WeakPolarHBondContact CG1-OD1 3.42Å; I92-V230 PolarHBondContact O-N 2.58Å; I92-W284 HydrophobicContact CD1-CH2 3.85Å; I92-W284 HydrophobicContact CD1-CZ3 3.89Å; I92-L285 HydrophobicContact CD1-CD1 4.18Å; I92-K292 PolarHBondContact O-NZ 3.09Å; I92-K292 VanDerWaalsContact O-NZ 3.08Å
93C98.4Very high94.5Very high0 Ų025.9 Ų25.90%014%0.142CC..EExtended strand (participates in β ladder)trans-130.7147.7-174.5-162.50000112.1F104 L172 F173 P174 V230 I232C93-F104 HydrophobicContact CB-CE2 3.85Å; C93-F104 HydrophobicContact CB-CZ 3.74Å; C93-L172 PolarHBondContact N-O 3.26Å; C93-F173 HydrophobicContact CB-CD1 3.76Å; C93-F173 HydrophobicContact CB-CE1 3.62Å; C93-P174 WeakPolarHBondContact O-CD 3.34Å; C93-V230 WeakPolarHBondContact CA-O 3.36Å; C93-V230 HydrophobicContact CB-CB 4.33Å; C93-I232 VanDerWaalsContact SG-CD1 3.56Å
94N98.2Very high95.5Very high1 Ų123 Ų231%0.00512%0.124CC..  trans-64.4151.5159.966.7-53.1000109.3Q96 E175 T205 T231 I232 F289 K292N94-Q96 PolarHBondContact ND2-OE1 3.35Å; N94-E175 VanDerWaalsContact C-OE1 3.32Å; N94-E175 WeakPolarHBondContact CA-OE1 3.36Å; N94-E175 VanDerWaalsContact CB-OE1 3.26Å; N94-E175 WeakPolarHBondContact CB-OE1 3.15Å; N94-T205 HydrophobicContact CB-CG2 4.26Å; N94-T231 VanDerWaalsContact OD1-CA 3.3Å; N94-T231 WeakPolarHBondContact OD1-CA 3.28Å; N94-I232 PolarHBondContact ND2-O 3.41Å; N94-I232 PolarHBondContact OD1-N 3.12Å; N94-F289 HydrophobicContact CB-CE1 4.47Å; N94-K292 HydrophobicContact CB-CD 4.2Å
95H97.2Very high96.2Very high37 Ų3719.1 Ų19.117%0.17110%0.103CC..  trans-122.6111.4-176.1-162.821.1000109.7S97 D100 F173 E175 R178 F179H95-S97 PolarHBondContact CE1-O 3.31Å; H95-S97 VanDerWaalsContact CE1-O 3.31Å; H95-D100 WeakPolarHBondContact CA-OD2 3.36Å; H95-D100 IonicContact CE1-OD2 3.27Å; H95-D100 IonicContact CG-OD2 3.81Å; H95-D100 IonicContact ND1-OD2 2.84Å; H95-D100 PolarHBondContact ND1-OD2 3.29Å; H95-F173 HydrophobicContact CB-CB 3.92Å; H95-F173 HydrophobicContact CB-CD1 3.7Å; H95-F173 HydrophobicContact CB-CG 4.08Å; H95-F173 AromaticContact CG-CD1 3.76Å; H95-F173 AromaticContact CG-CG 3.88Å; H95-F173 AromaticContact ND1-CD1 3.77Å; H95-E175 HydrophobicContact CB-CB 4.5Å; H95-E175 PolarHBondContact N-OE1 3.39Å; H95-R178 WeakPolarHBondContact CE1-CG 3.38Å; H95-R178 VanDerWaalsContact NE2-CG 3.34Å; H95-R178 WeakPolarHBondContact NE2-CG 3.26Å; H95-R178 CarbonylContact O-C 3.59Å; H95-R178 VanDerWaalsContact O-CA 3.22Å; H95-R178 WeakPolarHBondContact O-CA 3.5Å; H95-F179 PolarHBondContact O-N 2.61Å
96Q96.2Very high96.9Very high13 Ų1316.3 Ų16.36%0.0618%0.08CC..  trans-129.4-31.8-176.2-60.3-175.7-44.800111.7N94 D100 F179 K204 I232 A247N94-Q96 PolarHBondContact ND2-OE1 3.35Å; Q96-D100 PolarHBondContact N-OD2 3.08Å; Q96-F179 HydrophobicContact CG-CB 4.34Å; Q96-K204 PolarHBondContact NE2-O 3.27Å; Q96-K204 VanDerWaalsContact NE2-O 3.07Å; Q96-I232 PolarHBondContact OE1-O 2.74Å; Q96-A247 HydrophobicContact CB-CB 3.58Å
97S97.2Very high97.2Very high1 Ų111 Ų111%0.0075%0.051CC..  trans-121.6154-176.8-179.70000112.6H95 F99 D100 Y234 P248H95-S97 PolarHBondContact CE1-O 3.31Å; H95-S97 VanDerWaalsContact CE1-O 3.31Å; S97-F99 PolarHBondContact O-N 3.29Å; S97-F99 WeakPolarHBondContact OG-CB 3.05Å; S97-F99 PolarHBondContact OG-N 3.22Å; S97-D100 VanDerWaalsContact CB-OD1 3.29Å; S97-D100 WeakPolarHBondContact CB-OD1 3.24Å; S97-D100 PolarHBondContact N-OD1 3.35Å; S97-D100 PolarHBondContact N-OD2 3.2Å; S97-D100 PolarHBondContact O-N 2.91Å; S97-Y234 VanDerWaalsContact CB-CE2 3.48Å; S97-P248 WeakPolarHBondContact CB-O 3.28Å; S97-P248 PolarHBondContact OG-O 2.89Å
98S95.4Very high97.3Very high35 Ų3511.1 Ų11.125%0.2455%0.053CC..THydrogen-bonded Turntrans-71.2-4.7162.5500000112.8W101 L250S98-W101 PolarHBondContact O-NE1 3.46Å; S98-L250 PolarHBondContact OG-N 2.91Å
99F97.3Very high97.2Very high0 Ų010.5 Ų10.50%05%0.051CC..THydrogen-bonded Turntrans-91.8-9.7176.5-160.8-104.7000112.9F67 S97 W101 A102 V103 M106 Y234 L250 V253 V254 I262F67-F99 HydrophobicContact CB-CE2 3.95Å; F67-F99 HydrophobicContact CB-CZ 3.75Å; F67-F99 AromaticContact CD1-CE2 3.92Å; F67-F99 HydrophobicContact CD1-CE2 3.92Å; F67-F99 AromaticContact CG-CE2 3.95Å; F67-F99 HydrophobicContact CG-CE2 3.95Å; F67-F99 HydrophobicContact CG-CZ 4.25Å; F67-F99 WeakPolarHBondContact O-CZ 3.46Å; S97-F99 PolarHBondContact O-N 3.29Å; S97-F99 WeakPolarHBondContact OG-CB 3.05Å; S97-F99 PolarHBondContact OG-N 3.22Å; F99-W101 PolarHBondContact O-N 3.16Å; F99-W101 VanDerWaalsContact O-N 3.09Å; F99-A102 HydrophobicContact CD1-CB 4.15Å; F99-A102 HydrophobicContact CD2-CB 3.96Å; F99-A102 HydrophobicContact CE1-CB 3.99Å; F99-A102 HydrophobicContact CE2-CB 3.77Å; F99-A102 HydrophobicContact CG-CB 4.14Å; F99-A102 HydrophobicContact CZ-CB 3.79Å; F99-A102 WeakPolarHBondContact O-CA 3.37Å; F99-A102 VanDerWaalsContact O-CB 3.28Å; F99-A102 WeakPolarHBondContact O-CB 3.28Å; F99-A102 PolarHBondContact O-N 2.94Å; F99-V103 HydrophobicContact CD1-CG2 4Å; F99-V103 HydrophobicContact CE1-CG2 4.36Å; F99-V103 PolarHBondContact O-N 2.75Å; F99-M106 HydrophobicContact CE1-CE 3.55Å; F99-M106 HydrophobicContact CZ-CE 3.5Å; F99-Y234 HydrophobicContact CD1-CE1 4.05Å; F99-L250 HydrophobicContact CD2-CD1 3.51Å; F99-L250 HydrophobicContact CE2-CD1 3.94Å; F99-V253 HydrophobicContact CB-CG2 4.4Å; F99-V253 HydrophobicContact CD1-CG1 4.34Å; F99-V253 HydrophobicContact CD1-CG2 4.28Å; F99-V253 HydrophobicContact CD2-CB 3.99Å; F99-V253 HydrophobicContact CD2-CG1 4.13Å; F99-V253 HydrophobicContact CD2-CG2 4.15Å; F99-V253 HydrophobicContact CE1-CG1 3.88Å; F99-V253 HydrophobicContact CE2-CB 3.98Å; F99-V253 HydrophobicContact CE2-CG1 3.68Å; F99-V253 HydrophobicContact CG-CB 4.35Å; F99-V253 HydrophobicContact CG-CG1 4.44Å; F99-V253 HydrophobicContact CG-CG2 4.03Å; F99-V253 HydrophobicContact CZ-CB 4.29Å; F99-V253 HydrophobicContact CZ-CG1 3.52Å; F99-V254 HydrophobicContact CE2-CG2 3.94Å; F99-I262 HydrophobicContact CD1-CD1 4.15Å; F99-I262 HydrophobicContact CE1-CD1 3.81Å
100D98.1Very high97Very high1 Ų114.3 Ų14.31%0.0057%0.066CC..Hα-helixtrans-53.9-38-173.9-65.5-17.6000113H95 Q96 S97 A102 V103 F104 F173 I232 Y234H95-D100 WeakPolarHBondContact CA-OD2 3.36Å; H95-D100 IonicContact CE1-OD2 3.27Å; H95-D100 IonicContact CG-OD2 3.81Å; H95-D100 IonicContact ND1-OD2 2.84Å; H95-D100 PolarHBondContact ND1-OD2 3.29Å; Q96-D100 PolarHBondContact N-OD2 3.08Å; S97-D100 VanDerWaalsContact CB-OD1 3.29Å; S97-D100 WeakPolarHBondContact CB-OD1 3.24Å; S97-D100 PolarHBondContact N-OD1 3.35Å; S97-D100 PolarHBondContact N-OD2 3.2Å; S97-D100 PolarHBondContact O-N 2.91Å; D100-A102 VanDerWaalsContact C-N 3.33Å; D100-A102 PolarHBondContact O-N 3.47Å; D100-V103 WeakPolarHBondContact O-CB 3.3Å; D100-V103 PolarHBondContact O-N 2.83Å; D100-F104 WeakPolarHBondContact O-CD2 3.35Å; D100-F104 PolarHBondContact O-N 2.6Å; D100-F173 HydrophobicContact CB-CE1 3.69Å; D100-F173 HydrophobicContact CB-CZ 3.71Å; D100-I232 HydrophobicContact CB-CD1 4.3Å; D100-Y234 WeakPolarHBondContact CA-OH 3.05Å; D100-Y234 PolarHBondContact N-OH 3.01Å; D100-Y234 WeakPolarHBondContact OD1-CE2 3.48Å; D100-Y234 VanDerWaalsContact OD1-CZ 3.31Å; D100-Y234 PolarHBondContact OD1-OH 3.04Å
101W97.1Very high96.8Very high76 Ų7617.1 Ų17.129%0.2888%0.079SC..Hα-helixtrans-67.7-31.3177.266.7-85.5000113.1L63 F67 S98 F99 V103 F104 N105 Y119L63-W101 HydrophobicContact CD1-CH2 3.9Å; L63-W101 HydrophobicContact CD1-CZ3 4.06Å; F67-W101 HydrophobicContact CD2-CH2 4.38Å; F67-W101 AromaticContact CE2-CH2 3.18Å; F67-W101 HydrophobicContact CE2-CH2 3.18Å; F67-W101 AromaticContact CE2-CZ2 3.73Å; F67-W101 HydrophobicContact CE2-CZ2 3.73Å; F67-W101 AromaticContact CE2-CZ3 3.65Å; F67-W101 HydrophobicContact CE2-CZ3 3.65Å; F67-W101 AromaticContact CZ-CH2 3.45Å; F67-W101 HydrophobicContact CZ-CH2 3.45Å; F67-W101 VanDerWaalsContact CZ-CH2 3.45Å; F67-W101 AromaticContact CZ-CZ2 3.7Å; F67-W101 HydrophobicContact CZ-CZ2 3.7Å; F67-W101 HydrophobicContact CZ-CZ3 4.36Å; S98-W101 PolarHBondContact O-NE1 3.46Å; F99-W101 PolarHBondContact O-N 3.16Å; F99-W101 VanDerWaalsContact O-N 3.09Å; W101-V103 VanDerWaalsContact C-N 3.3Å; W101-F104 WeakPolarHBondContact O-CB 3.36Å; W101-F104 PolarHBondContact O-N 2.71Å; W101-N105 VanDerWaalsContact CE3-ND2 3.33Å; W101-N105 VanDerWaalsContact CZ3-ND2 3.34Å; W101-N105 WeakPolarHBondContact CZ3-ND2 3.28Å; W101-N105 PolarHBondContact O-N 2.98Å; W101-N105 VanDerWaalsContact O-N 3.12Å; W101-Y119 HydrophobicContact CB-CD1 4.49Å; W101-Y119 HydrophobicContact CB-CE1 3.79Å; W101-Y119 PolarHBondContact O-OH 3.2Å
102A97.9Very high96.5Very high0 Ų022.5 Ų22.50%011%0.109CC..Hα-helixtrans-67.1-34.417400000110.9F67 F99 D100 F104 N105 M106F67-A102 HydrophobicContact CB-CB 4.19Å; F67-A102 HydrophobicContact CD2-CB 3.46Å; F67-A102 VanDerWaalsContact CD2-CB 3.46Å; F67-A102 HydrophobicContact CE2-CB 3.98Å; F67-A102 HydrophobicContact CG-CB 3.94Å; F99-A102 HydrophobicContact CD1-CB 4.15Å; F99-A102 HydrophobicContact CD2-CB 3.96Å; F99-A102 HydrophobicContact CE1-CB 3.99Å; F99-A102 HydrophobicContact CE2-CB 3.77Å; F99-A102 HydrophobicContact CG-CB 4.14Å; F99-A102 HydrophobicContact CZ-CB 3.79Å; F99-A102 WeakPolarHBondContact O-CA 3.37Å; F99-A102 VanDerWaalsContact O-CB 3.28Å; F99-A102 WeakPolarHBondContact O-CB 3.28Å; F99-A102 PolarHBondContact O-N 2.94Å; D100-A102 VanDerWaalsContact C-N 3.33Å; D100-A102 PolarHBondContact O-N 3.47Å; A102-F104 VanDerWaalsContact C-N 3.33Å; A102-F104 PolarHBondContact O-N 3.3Å; A102-N105 WeakPolarHBondContact O-CB 3.44Å; A102-N105 PolarHBondContact O-N 3.09Å; A102-N105 VanDerWaalsContact O-N 3.16Å; A102-M106 VanDerWaalsContact O-CG 3.28Å; A102-M106 WeakPolarHBondContact O-CG 3.37Å; A102-M106 PolarHBondContact O-N 2.85Å
103V98.2Very high96.4Very high0 Ų023 Ų230%011%0.111CC..Hα-helixtrans-61.7-41.6172.9-1760000111L75 F99 D100 W101 N105 M106 L107 I232 Y234 I262 V264L75-V103 HydrophobicContact CD1-CG1 4.05Å; F99-V103 HydrophobicContact CD1-CG2 4Å; F99-V103 HydrophobicContact CE1-CG2 4.36Å; F99-V103 PolarHBondContact O-N 2.75Å; D100-V103 WeakPolarHBondContact O-CB 3.3Å; D100-V103 PolarHBondContact O-N 2.83Å; W101-V103 VanDerWaalsContact C-N 3.3Å; V103-N105 VanDerWaalsContact C-N 3.34Å; V103-N105 PolarHBondContact O-N 2.77Å; V103-M106 WeakPolarHBondContact O-CB 3.03Å; V103-M106 PolarHBondContact O-N 3.24Å; V103-L107 HydrophobicContact CG1-CD1 4.24Å; V103-L107 WeakPolarHBondContact O-CG 3.45Å; V103-L107 PolarHBondContact O-N 3.13Å; V103-I232 HydrophobicContact CB-CD1 3.93Å; V103-I232 HydrophobicContact CG1-CD1 3.9Å; V103-I232 HydrophobicContact CG1-CG1 4.31Å; V103-I232 HydrophobicContact CG2-CD1 4.37Å; V103-I232 HydrophobicContact CG2-CG2 4.49Å; V103-Y234 HydrophobicContact CG2-CE1 4.28Å; V103-Y234 WeakPolarHBondContact CG2-OH 3.37Å; V103-I262 HydrophobicContact CG1-CG2 4.02Å; V103-I262 HydrophobicContact CG2-CD1 4.1Å; V103-I262 HydrophobicContact CG2-CG2 3.87Å; V103-V264 HydrophobicContact CG1-CG2 3.61Å
104F98Very high96.3Very high5 Ų523.1 Ų23.12%0.02211%0.111CC..Hα-helixtrans-60.4-41.4172.6-82-79.4000112.6Y91 C93 D100 W101 A102 M106 L107 A108 L117 Y119 V171 F173 V230 I232Y91-F104 HydrophobicContact CD1-CD1 4.31Å; Y91-F104 AromaticContact CD1-CE1 3.57Å; Y91-F104 HydrophobicContact CD1-CE1 3.57Å; Y91-F104 HydrophobicContact CE1-CE1 4.35Å; Y91-F104 AromaticContact CG-CE1 3.88Å; Y91-F104 HydrophobicContact CG-CE1 3.88Å; C93-F104 HydrophobicContact CB-CE2 3.85Å; C93-F104 HydrophobicContact CB-CZ 3.74Å; D100-F104 WeakPolarHBondContact O-CD2 3.35Å; D100-F104 PolarHBondContact O-N 2.6Å; W101-F104 WeakPolarHBondContact O-CB 3.36Å; W101-F104 PolarHBondContact O-N 2.71Å; A102-F104 VanDerWaalsContact C-N 3.33Å; A102-F104 PolarHBondContact O-N 3.3Å; F104-M106 VanDerWaalsContact C-N 3.34Å; F104-M106 PolarHBondContact O-N 2.9Å; F104-L107 PolarHBondContact O-N 2.96Å; F104-A108 VanDerWaalsContact O-CB 3.29Å; F104-A108 WeakPolarHBondContact O-CB 3.49Å; F104-A108 PolarHBondContact O-N 3.19Å; F104-L117 HydrophobicContact CB-CD1 4.41Å; F104-Y119 HydrophobicContact CB-CE1 4.44Å; F104-Y119 WeakPolarHBondContact CB-OH 3.44Å; F104-V171 HydrophobicContact CD1-CG1 4.29Å; F104-V171 HydrophobicContact CD1-CG2 3.81Å; F104-V171 HydrophobicContact CD2-CG1 3.86Å; F104-V171 HydrophobicContact CE1-CG1 4.05Å; F104-V171 HydrophobicContact CE1-CG2 4.09Å; F104-V171 HydrophobicContact CE2-CG1 3.6Å; F104-V171 HydrophobicContact CG-CG1 4.22Å; F104-V171 HydrophobicContact CG-CG2 4.07Å; F104-V171 HydrophobicContact CZ-CG1 3.71Å; F104-F173 HydrophobicContact CD2-CZ 4.13Å; F104-F173 HydrophobicContact CE2-CE1 4.06Å; F104-F173 AromaticContact CE2-CZ 3.82Å; F104-F173 HydrophobicContact CE2-CZ 3.82Å; F104-V230 HydrophobicContact CE1-CG2 4.11Å; F104-V230 HydrophobicContact CZ-CB 4.16Å; F104-V230 HydrophobicContact CZ-CG1 4.19Å; F104-V230 HydrophobicContact CZ-CG2 4.17Å; F104-I232 HydrophobicContact CE2-CD1 4.22Å
105N97.7Very high96.2Very high0 Ų023.4 Ų23.40%012%0.115CC..Hα-helixtrans-60.9-42.7173.9-72.2-29.9000111.9Q60 L64 W101 A102 V103 L107 A108 V109 L114 L117Q60-N105 PolarHBondContact OE1-ND2 3.3Å; L64-N105 HydrophobicContact CD1-CB 4.33Å; L64-N105 HydrophobicContact CD2-CB 3.91Å; L64-N105 HydrophobicContact CG-CB 4.25Å; W101-N105 VanDerWaalsContact CE3-ND2 3.33Å; W101-N105 VanDerWaalsContact CZ3-ND2 3.34Å; W101-N105 WeakPolarHBondContact CZ3-ND2 3.28Å; W101-N105 PolarHBondContact O-N 2.98Å; W101-N105 VanDerWaalsContact O-N 3.12Å; A102-N105 WeakPolarHBondContact O-CB 3.44Å; A102-N105 PolarHBondContact O-N 3.09Å; A102-N105 VanDerWaalsContact O-N 3.16Å; V103-N105 VanDerWaalsContact C-N 3.34Å; V103-N105 PolarHBondContact O-N 2.77Å; N105-L107 VanDerWaalsContact C-N 3.33Å; N105-L107 PolarHBondContact O-N 3.14Å; N105-A108 PolarHBondContact O-N 2.81Å; N105-V109 WeakPolarHBondContact O-CG1 3.13Å; N105-V109 PolarHBondContact O-N 3.17Å; N105-L114 HydrophobicContact CB-CD1 3.65Å; N105-L114 WeakPolarHBondContact OD1-CD1 3.48Å; N105-L117 VanDerWaalsContact OD1-CD1 3.28Å; N105-L117 WeakPolarHBondContact OD1-CD1 3.26Å
106M97.6Very high96.2Very high0 Ų022 Ų220%011%0.109CC..Hα-helixtrans-62.3-39.4177.5-65.9170.6-172.500112L64 F67 E68 V73 L75 F99 A102 V103 F104 V109 R110L64-M106 HydrophobicContact CD2-CB 4.4Å; L64-M106 HydrophobicContact CD2-CG 3.6Å; F67-M106 VanDerWaalsContact C-CE 3.48Å; F67-M106 HydrophobicContact CB-CE 3.78Å; F67-M106 WeakPolarHBondContact O-CE 3.35Å; E68-M106 HydrophobicContact CB-CE 3.99Å; E68-M106 HydrophobicContact CB-CG 4.41Å; E68-M106 HydrophobicContact CG-CE 4.31Å; E68-M106 HydrophobicContact CG-SD 4.33Å; E68-M106 WeakPolarHBondContact OE2-CB 3.33Å; E68-M106 VanDerWaalsContact OE2-CG 3.22Å; E68-M106 WeakPolarHBondContact OE2-CG 3.45Å; V73-M106 HydrophobicContact CG2-CE 3.77Å; V73-M106 HydrophobicContact CG2-SD 4.17Å; L75-M106 HydrophobicContact CD2-CB 4.12Å; F99-M106 HydrophobicContact CE1-CE 3.55Å; F99-M106 HydrophobicContact CZ-CE 3.5Å; A102-M106 VanDerWaalsContact O-CG 3.28Å; A102-M106 WeakPolarHBondContact O-CG 3.37Å; A102-M106 PolarHBondContact O-N 2.85Å; V103-M106 WeakPolarHBondContact O-CB 3.03Å; V103-M106 PolarHBondContact O-N 3.24Å; F104-M106 VanDerWaalsContact C-N 3.34Å; F104-M106 PolarHBondContact O-N 2.9Å; M106-V109 WeakPolarHBondContact O-CG1 3.26Å; M106-R110 WeakPolarHBondContact O-CG 3.37Å; M106-R110 PolarHBondContact O-NH1 2.79Å
107L95.7Very high96.3Very high13 Ų1321.6 Ų21.67%0.06811%0.107CC..Hα-helixtrans-69.4-47.4175.9-66.5163.1000111L75 L77 V103 F104 N105 V109 R110 V264 I266L75-L107 HydrophobicContact CD2-CD2 3.87Å; L75-L107 HydrophobicContact CD2-CG 4.33Å; L77-L107 HydrophobicContact CD1-CD2 4.27Å; V103-L107 HydrophobicContact CG1-CD1 4.24Å; V103-L107 WeakPolarHBondContact O-CG 3.45Å; V103-L107 PolarHBondContact O-N 3.13Å; F104-L107 PolarHBondContact O-N 2.96Å; N105-L107 VanDerWaalsContact C-N 3.33Å; N105-L107 PolarHBondContact O-N 3.14Å; L107-V109 PolarHBondContact O-N 2.99Å; L107-R110 PolarHBondContact O-N 2.88Å; L107-V264 HydrophobicContact CD1-CG1 3.87Å; L107-V264 HydrophobicContact CD2-CG1 4.43Å; L107-I266 HydrophobicContact CD1-CD1 4.19Å; L107-I266 HydrophobicContact CD2-CD1 4.24Å
108A95.6Very high96.3Very high6 Ų621.7 Ų21.75%0.0511%0.107CC..Hα-helixtrans-67.7-36.9-174.600000113F104 N105 R110 Q111 N112 R113 L114 L117F104-A108 VanDerWaalsContact O-CB 3.29Å; F104-A108 WeakPolarHBondContact O-CB 3.49Å; F104-A108 PolarHBondContact O-N 3.19Å; N105-A108 PolarHBondContact O-N 2.81Å; A108-R110 VanDerWaalsContact C-N 3.26Å; A108-R110 PolarHBondContact O-N 3.27Å; A108-Q111 CarbonylContact O-C 3.58Å; A108-Q111 PolarHBondContact O-N 3.37Å; A108-Q111 VanDerWaalsContact O-N 3.09Å; A108-N112 PolarHBondContact O-N 3.46Å; A108-R113 HydrophobicContact CB-CB 4.36Å; A108-R113 PolarHBondContact O-N 3.32Å; A108-L114 HydrophobicContact CB-CD1 4.39Å; A108-L117 HydrophobicContact CB-CD1 3.59Å; A108-L117 HydrophobicContact CB-CD2 4.11Å; A108-L117 HydrophobicContact CB-CG 3.87Å
109V95.4Very high96.4Very high15 Ų1520.9 Ų20.99%0.09110%0.099CC..Hα-helixtrans-62.6-35178.171.50000112R61 L64 N105 M106 L107 Q111 N112 L114 I316R61-V109 HydrophobicContact CG-CG2 4.49Å; L64-V109 HydrophobicContact CD1-CB 3.88Å; L64-V109 HydrophobicContact CD1-CG1 3.86Å; L64-V109 HydrophobicContact CD1-CG2 4.19Å; N105-V109 WeakPolarHBondContact O-CG1 3.13Å; N105-V109 PolarHBondContact O-N 3.17Å; M106-V109 WeakPolarHBondContact O-CG1 3.26Å; L107-V109 PolarHBondContact O-N 2.99Å; V109-Q111 PolarHBondContact O-N 3.48Å; V109-N112 PolarHBondContact O-N 3.19Å; V109-N112 VanDerWaalsContact O-N 3.08Å; V109-L114 HydrophobicContact CB-CB 4.38Å; V109-L114 HydrophobicContact CB-CD2 4.21Å; V109-L114 HydrophobicContact CG2-CD2 4.2Å; V109-I316 HydrophobicContact CG1-CD1 3.51Å; V109-I316 HydrophobicContact CG1-CG1 3.86Å
110R93.1Very high96.4Very high81 Ų8122.3 Ų22.331%0.30611%0.107SC..Hα-helixtrans-69-18.8177.2-70172.2169.680-3113.3E68 M106 L107 A108 K314E68-R110 VanDerWaalsContact CD-NH2 3.26Å; E68-R110 IonicContact OE1-CZ 2.68Å; E68-R110 IonicContact OE1-NH1 2.81Å; E68-R110 IonicContact OE1-NH2 2.8Å; E68-R110 PolarHBondContact OE1-NH2 2.64Å; E68-R110 IonicContact OE2-CZ 2.79Å; E68-R110 IonicContact OE2-NH1 3.98Å; E68-R110 PolarHBondContact OE2-NH1 3.45Å; E68-R110 IonicContact OE2-NH2 3.54Å; E68-R110 PolarHBondContact OE2-NH2 3.08Å; M106-R110 WeakPolarHBondContact O-CG 3.37Å; M106-R110 PolarHBondContact O-NH1 2.79Å; L107-R110 PolarHBondContact O-N 2.88Å; A108-R110 VanDerWaalsContact C-N 3.26Å; A108-R110 PolarHBondContact O-N 3.27Å; R110-K314 PolarHBondContact NE-O 3.47Å; R110-K314 VanDerWaalsContact NE-O 3.16Å; R110-K314 PolarHBondContact NH2-O 3.43Å
111Q91.8Very high96.1Very high59 Ų5923.2 Ų23.228%0.27611%0.111SC..THydrogen-bonded Turntrans-102.55175.3-61.1175.99.800112.1A108 V109 R113A108-Q111 CarbonylContact O-C 3.58Å; A108-Q111 PolarHBondContact O-N 3.37Å; A108-Q111 VanDerWaalsContact O-N 3.09Å; V109-Q111 PolarHBondContact O-N 3.48Å; Q111-R113 HydrophobicContact CB-CB 4.3Å; Q111-R113 HydrophobicContact CB-CG 3.99Å; Q111-R113 WeakPolarHBondContact O-CG 3.29Å; Q111-R113 PolarHBondContact O-N 3.1Å
112N92.4Very high95.8Very high130 Ų13025.6 Ų25.670%0.69512%0.124SC*.THydrogen-bonded Turntrans56.531.5-170.8-161.236.2000114A108 V109A108-N112 PolarHBondContact O-N 3.46Å; V109-N112 PolarHBondContact O-N 3.19Å; V109-N112 VanDerWaalsContact O-N 3.08Å
113R95Very high95.4Very high11 Ų1126.7 Ų26.74%0.04213%0.13CC..  trans-112.58.8-175.5-69-162.964.6131.110.3114.3N84 A85 E87 A108 Q111 G115 S116 P167 S169N84-R113 PolarHBondContact O-NH1 3.49Å; A85-R113 PolarHBondContact O-NH1 3.45Å; E87-R113 PolarHBondContact O-NH1 3.34Å; E87-R113 PolarHBondContact O-NH2 3.31Å; A108-R113 HydrophobicContact CB-CB 4.36Å; A108-R113 PolarHBondContact O-N 3.32Å; Q111-R113 HydrophobicContact CB-CB 4.3Å; Q111-R113 HydrophobicContact CB-CG 3.99Å; Q111-R113 WeakPolarHBondContact O-CG 3.29Å; Q111-R113 PolarHBondContact O-N 3.1Å; R113-G115 VanDerWaalsContact C-N 3.26Å; R113-G115 PolarHBondContact O-N 3.41Å; R113-S116 WeakPolarHBondContact O-CB 3.37Å; R113-S116 PolarHBondContact O-N 3.27Å; R113-S116 PolarHBondContact O-OG 3.42Å; R113-P167 VanDerWaalsContact NH2-CB 3.31Å; R113-S169 PolarHBondContact NH2-OG 3.08Å
114L96.7Very high95Very high1 Ų129.2 Ų29.21%0.00515%0.147CC..G310 helixtrans-55.8-40.3-173.2-172.962000113.3Q60 R61 L64 N105 A108 V109 S116 L117Q60-L114 HydrophobicContact CB-CD1 3.79Å; Q60-L114 HydrophobicContact CB-CD2 3.55Å; Q60-L114 HydrophobicContact CB-CG 3.66Å; Q60-L114 HydrophobicContact CG-CD1 4.34Å; Q60-L114 HydrophobicContact CG-CG 4.34Å; R61-L114 HydrophobicContact CG-CD2 3.71Å; L64-L114 HydrophobicContact CD1-CD1 4.3Å; L64-L114 HydrophobicContact CD1-CD2 3.87Å; N105-L114 HydrophobicContact CB-CD1 3.65Å; N105-L114 WeakPolarHBondContact OD1-CD1 3.48Å; A108-L114 HydrophobicContact CB-CD1 4.39Å; V109-L114 HydrophobicContact CB-CB 4.38Å; V109-L114 HydrophobicContact CB-CD2 4.21Å; V109-L114 HydrophobicContact CG2-CD2 4.2Å; L114-S116 VanDerWaalsContact C-N 3.26Å; L114-S116 PolarHBondContact O-N 3.3Å; L114-L117 HydrophobicContact CD1-CD1 4.18Å
115G97.3Very high94.7Very high8 Ų831.8 Ų31.88%0.08216%0.161CC..G310 helixtrans-64.1-27.3176.800000114.3D53 R113 L117 R118 H138D53-G115 WeakPolarHBondContact O-CA 3.48Å; R113-G115 VanDerWaalsContact C-N 3.26Å; R113-G115 PolarHBondContact O-N 3.41Å; G115-L117 VanDerWaalsContact C-N 3.3Å; G115-L117 PolarHBondContact O-N 2.84Å; G115-R118 PolarHBondContact O-NH1 3.47Å; G115-H138 PolarHBondContact O-CE1 2.81Å; G115-H138 PolarHBondContact O-NE2 3.17Å
116S97.1Very high94.4Very high7 Ų731.9 Ų31.95%0.04916%0.161CC..G310 helixtrans-80.6-7.3-175.372.90000114.3R113 L114 R118 P167 S169R113-S116 WeakPolarHBondContact O-CB 3.37Å; R113-S116 PolarHBondContact O-N 3.27Å; R113-S116 PolarHBondContact O-OG 3.42Å; L114-S116 VanDerWaalsContact C-N 3.26Å; L114-S116 PolarHBondContact O-N 3.3Å; S116-R118 PolarHBondContact O-NH1 3.09Å; S116-P167 WeakPolarHBondContact CB-O 3.34Å; S116-S169 PolarHBondContact O-N 2.86Å
117L97.9Very high94.1Very high4 Ų437.2 Ų37.22%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-72.5134.2-176.2-69.4177.8000111.3Y56 F104 N105 A108 L114 G115 Y119 S169 V171Y56-L117 HydrophobicContact CE1-CB 4.27Å; F104-L117 HydrophobicContact CB-CD1 4.41Å; N105-L117 VanDerWaalsContact OD1-CD1 3.28Å; N105-L117 WeakPolarHBondContact OD1-CD1 3.26Å; A108-L117 HydrophobicContact CB-CD1 3.59Å; A108-L117 HydrophobicContact CB-CD2 4.11Å; A108-L117 HydrophobicContact CB-CG 3.87Å; L114-L117 HydrophobicContact CD1-CD1 4.18Å; G115-L117 VanDerWaalsContact C-N 3.3Å; G115-L117 PolarHBondContact O-N 2.84Å; L117-Y119 HydrophobicContact CB-CE2 4.05Å; L117-S169 CarbonylContact C-O 3.58Å; L117-S169 WeakPolarHBondContact CA-O 3.36Å; L117-V171 HydrophobicContact CD2-CG2 4.32Å
118R97.9Very high94Very high3 Ų340 Ų401%0.01120%0.197CC..EExtended strand (participates in β ladder)trans-131.3155.2171.8-55.4-61.3-177.3-86.84.4108.2D53 G115 S116 H138 L161 T168 S169 L170 V171D53-R118 IonicContact OD1-CZ 4Å; D53-R118 IonicContact OD1-NH1 2.74Å; D53-R118 PolarHBondContact OD1-NH1 2.7Å; D53-R118 IonicContact OD1-NH2 3.26Å; D53-R118 PolarHBondContact OD1-NH2 2.92Å; G115-R118 PolarHBondContact O-NH1 3.47Å; S116-R118 PolarHBondContact O-NH1 3.09Å; R118-H138 WeakPolarHBondContact CD-O 3.29Å; R118-H138 VanDerWaalsContact CZ-NE2 3.27Å; R118-H138 VanDerWaalsContact CZ-O 3.29Å; R118-H138 PolarHBondContact NE-O 3.44Å; R118-H138 PolarHBondContact NH1-CE1 3.33Å; R118-H138 VanDerWaalsContact NH1-CE1 3.25Å; R118-H138 PolarHBondContact NH1-NE2 3.12Å; R118-H138 PolarHBondContact NH2-CE1 3.17Å; R118-H138 VanDerWaalsContact NH2-CE1 3.32Å; R118-H138 PolarHBondContact NH2-O 2.8Å; R118-L161 HydrophobicContact CG-CD2 3.96Å; R118-T168 HydrophobicContact CG-CG2 3.99Å; R118-S169 PolarHBondContact N-O 3.27Å; R118-L170 HydrophobicContact CB-CD1 3.74Å; R118-L170 WeakPolarHBondContact O-CA 3.5Å; R118-V171 PolarHBondContact O-N 2.9Å
119Y97.5Very high93.9Very high19 Ų1941.7 Ų41.78%0.07521%0.208CC..EExtended strand (participates in β ladder)trans-132.5146.2-176.2-66.8-92.4000111.4W101 F104 L117 L121 G140 V141 V171W101-Y119 HydrophobicContact CB-CD1 4.49Å; W101-Y119 HydrophobicContact CB-CE1 3.79Å; W101-Y119 PolarHBondContact O-OH 3.2Å; F104-Y119 HydrophobicContact CB-CE1 4.44Å; F104-Y119 WeakPolarHBondContact CB-OH 3.44Å; L117-Y119 HydrophobicContact CB-CE2 4.05Å; Y119-L121 PolarHBondContact O-N 2.89Å; Y119-G140 WeakPolarHBondContact O-CA 3.38Å; Y119-V141 PolarHBondContact O-N 3.18Å; Y119-V171 HydrophobicContact CD1-CB 3.63Å; Y119-V171 HydrophobicContact CD1-CG1 4.05Å; Y119-V171 HydrophobicContact CD1-CG2 4.13Å; Y119-V171 HydrophobicContact CE1-CB 3.8Å; Y119-V171 HydrophobicContact CE1-CG1 4.04Å; Y119-V171 HydrophobicContact CE1-CG2 3.86Å; Y119-V171 HydrophobicContact CG-CB 4.43Å
120I95.6Very high93.9Very high30 Ų3041.1 Ų41.115%0.15420%0.204CC..EExtended strand (participates in β ladder)trans-75.6114.6156.9-55.5-56.9000107.6V141 V143 L170 V171 L172 M216I120-V141 CarbonylContact C-O 3.51Å; I120-V141 WeakPolarHBondContact CA-O 3.31Å; I120-V141 HydrophobicContact CD1-CB 3.64Å; I120-V141 HydrophobicContact CD1-CG1 4.21Å; I120-V141 HydrophobicContact CD1-CG2 3.94Å; I120-V143 HydrophobicContact CG2-CB 4.36Å; I120-V143 HydrophobicContact CG2-CG1 3.7Å; I120-V143 HydrophobicContact CG2-CG2 3.63Å; I120-L170 HydrophobicContact CD1-CD1 3.98Å; I120-L170 HydrophobicContact CD1-CD2 4.12Å; I120-L170 HydrophobicContact CD1-CG 4.24Å; I120-L170 HydrophobicContact CG1-CD1 4.41Å; I120-V171 PolarHBondContact N-O 3.44Å; I120-L172 HydrophobicContact CB-CD1 4.07Å; I120-L172 HydrophobicContact CG1-CB 4.05Å; I120-L172 HydrophobicContact CG1-CD1 3.83Å; I120-L172 HydrophobicContact CG2-CD1 4.1Å; I120-M216 HydrophobicContact CD1-SD 3.88Å; I120-M216 HydrophobicContact CG1-SD 3.91Å
121L93.5Very high94Very high20 Ų2038.9 Ų38.911%0.10520%0.196CC..EExtended strand (participates in β ladder)trans-107.2141-169.8-64.3168.1000111.2Y119 D123 L125 F135 V141 Y142 V143Y119-L121 PolarHBondContact O-N 2.89Å; L121-D123 PolarHBondContact O-N 3.3Å; L121-L125 HydrophobicContact CB-CD1 4.28Å; L121-L125 HydrophobicContact CD2-CD1 3.84Å; L121-F135 HydrophobicContact CD1-CB 3.65Å; L121-F135 HydrophobicContact CD1-CD2 4.25Å; L121-F135 HydrophobicContact CD1-CG 4.21Å; L121-V141 PolarHBondContact N-O 3.42Å; L121-Y142 HydrophobicContact CB-CD1 3.69Å; L121-Y142 HydrophobicContact CB-CE1 3.71Å; L121-Y142 HydrophobicContact CB-CG 4.39Å; L121-Y142 HydrophobicContact CD1-CE1 3.95Å; L121-Y142 HydrophobicContact CD1-CE2 4.25Å; L121-Y142 HydrophobicContact CG-CE1 4.48Å; L121-Y142 CarbonylContact O-C 3.4Å; L121-Y142 WeakPolarHBondContact O-CA 3.29Å; L121-V143 WeakPolarHBondContact O-CG2 3.39Å; L121-V143 PolarHBondContact O-N 3.32Å
122K89.9Confident94.1Very high125 Ų12536.1 Ų36.154%0.54318%0.183SC..EExtended strand (participates in β ladder)trans-64.8132.4168.5-174.1-178.6174.5-163.70108.8S124 L125K122-S124 VanDerWaalsContact CD-OG 3.3Å; K122-S124 WeakPolarHBondContact CD-OG 3.45Å; K122-S124 WeakPolarHBondContact CE-OG 3.38Å; K122-S124 PolarHBondContact O-N 3.03Å; K122-L125 HydrophobicContact CB-CD1 4.49Å; K122-L125 VanDerWaalsContact O-CB 3.31Å; K122-L125 WeakPolarHBondContact O-CB 3.49Å; K122-L125 PolarHBondContact O-N 3.46Å
123D88.6Confident94.3Very high24 Ų2432 Ų3213%0.12816%0.157CC..G310 helixtrans-45.3-39.9178.317978.6000114.6L121 L125 Q126 V143 R144L121-D123 PolarHBondContact O-N 3.3Å; D123-L125 PolarHBondContact O-N 3.33Å; D123-Q126 WeakPolarHBondContact O-CB 3.45Å; D123-Q126 VanDerWaalsContact O-CD 3.22Å; D123-Q126 WeakPolarHBondContact O-CG 3.42Å; D123-Q126 PolarHBondContact O-N 2.94Å; D123-Q126 PolarHBondContact O-NE2 3.42Å; D123-Q126 PolarHBondContact OD1-NE2 2.73Å; D123-Q126 PolarHBondContact OD2-NE2 2.74Å; D123-Q126 VanDerWaalsContact OD2-NE2 3.13Å; D123-V143 PolarHBondContact N-O 2.45Å; D123-R144 HydrophobicContact CB-CB 4.41Å; D123-R144 HydrophobicContact CB-CG 3.38Å; D123-R144 WeakPolarHBondContact OD1-CG 2.74Å; D123-R144 IonicContact OD1-CZ 2.91Å; D123-R144 IonicContact OD1-NE 3.61Å; D123-R144 PolarHBondContact OD1-NE 2.83Å; D123-R144 IonicContact OD1-NH2 2.75Å; D123-R144 PolarHBondContact OD1-NH2 3.31Å; D123-R144 VanDerWaalsContact OD1-NH2 3.12Å; D123-R144 IonicContact OD2-CZ 3.12Å; D123-R144 IonicContact OD2-NE 3.38Å; D123-R144 PolarHBondContact OD2-NE 2.92Å; D123-R144 VanDerWaalsContact OD2-NE 3.1Å; D123-R144 IonicContact OD2-NH2 3.1Å
124S89.9Confident94.3Very high53 Ų5331.7 Ų31.737%0.37116%0.156SC..G310 helixtrans-59.1-20.117860.80000114.8K122 Q126 Y127K122-S124 VanDerWaalsContact CD-OG 3.3Å; K122-S124 WeakPolarHBondContact CD-OG 3.45Å; K122-S124 WeakPolarHBondContact CE-OG 3.38Å; K122-S124 PolarHBondContact O-N 3.03Å; S124-Q126 PolarHBondContact O-N 3.36Å; S124-Y127 WeakPolarHBondContact O-CD2 3.41Å; S124-Y127 PolarHBondContact O-N 3.05Å
125L91.9Very high94.3Very high59 Ų5933.7 Ų33.731%0.30917%0.165SC..G310 helixtrans-72.5-16178-66172.9000112.9L121 K122 D123 Y127 L128 Y142L121-L125 HydrophobicContact CB-CD1 4.28Å; L121-L125 HydrophobicContact CD2-CD1 3.84Å; K122-L125 HydrophobicContact CB-CD1 4.49Å; K122-L125 VanDerWaalsContact O-CB 3.31Å; K122-L125 WeakPolarHBondContact O-CB 3.49Å; K122-L125 PolarHBondContact O-N 3.46Å; D123-L125 PolarHBondContact O-N 3.33Å; L125-Y127 PolarHBondContact O-N 2.88Å; L125-L128 HydrophobicContact CB-CD1 4.39Å; L125-L128 HydrophobicContact CD2-CD1 3.73Å; L125-L128 HydrophobicContact CD2-CG 4.42Å; L125-L128 WeakPolarHBondContact O-CB 3.41Å; L125-L128 WeakPolarHBondContact O-CG 3.26Å; L125-L128 PolarHBondContact O-N 3.1Å; L125-L128 VanDerWaalsContact O-N 3.15Å; L125-Y142 HydrophobicContact CB-CE1 4Å
126Q90.8Very high94.2Very high2 Ų234.4 Ų34.41%0.00917%0.166CC..G310 helixtrans-64.7-20.7174.277.4-161.5-29.600112.9D123 S124 L128 Y142 L357 M360 V365 A366D123-Q126 WeakPolarHBondContact O-CB 3.45Å; D123-Q126 VanDerWaalsContact O-CD 3.22Å; D123-Q126 WeakPolarHBondContact O-CG 3.42Å; D123-Q126 PolarHBondContact O-N 2.94Å; D123-Q126 PolarHBondContact O-NE2 3.42Å; D123-Q126 PolarHBondContact OD1-NE2 2.73Å; D123-Q126 PolarHBondContact OD2-NE2 2.74Å; D123-Q126 VanDerWaalsContact OD2-NE2 3.13Å; S124-Q126 PolarHBondContact O-N 3.36Å; Q126-L128 VanDerWaalsContact C-N 3.29Å; Q126-Y142 HydrophobicContact CB-CD1 4.29Å; Q126-Y142 HydrophobicContact CB-CE1 3.88Å; Q126-Y142 HydrophobicContact CB-CE2 4.47Å; Q126-L357 WeakPolarHBondContact O-CD2 3.36Å; Q126-M360 HydrophobicContact CB-CE 4.07Å; Q126-V365 VanDerWaalsContact OE1-C 3.29Å; Q126-V365 PolarHBondContact OE1-O 2.97Å; Q126-A366 HydrophobicContact CG-CB 4.23Å
127Y92.5Very high94.1Very high111 Ų11134.8 Ų34.844%0.43517%0.17SC..G310 helixtrans-85.21179-54.5-67.2000113.7S124 L125 P129 L357 A366S124-Y127 WeakPolarHBondContact O-CD2 3.41Å; S124-Y127 PolarHBondContact O-N 3.05Å; L125-Y127 PolarHBondContact O-N 2.88Å; Y127-P129 WeakPolarHBondContact O-CD 3.39Å; Y127-L357 HydrophobicContact CD1-CD2 3.7Å; Y127-L357 HydrophobicContact CE1-CD2 4.34Å; Y127-A366 PolarHBondContact OH-OXT 3.42Å
128L93.3Very high94Very high71 Ų7134.9 Ų34.937%0.37217%0.17SC..SBendtrans-68.6121.5172.4-70.2176.1000109.7L125 Q126 L130 Y131 G132 F135L125-L128 HydrophobicContact CB-CD1 4.39Å; L125-L128 HydrophobicContact CD2-CD1 3.73Å; L125-L128 HydrophobicContact CD2-CG 4.42Å; L125-L128 WeakPolarHBondContact O-CB 3.41Å; L125-L128 WeakPolarHBondContact O-CG 3.26Å; L125-L128 PolarHBondContact O-N 3.1Å; L125-L128 VanDerWaalsContact O-N 3.15Å; Q126-L128 VanDerWaalsContact C-N 3.29Å; L128-L130 PolarHBondContact O-N 3.09Å; L128-Y131 HydrophobicContact CB-CD2 4.4Å; L128-Y131 PolarHBondContact O-N 2.94Å; L128-G132 PolarHBondContact O-N 3.22Å; L128-F135 HydrophobicContact CD1-CE2 4.11Å
129P93.4Very high93.9Very high43 Ų4334.7 Ų34.728%0.27917%0.169SC..THydrogen-bonded Turntrans-49123-179.9-31.738.1000111.6Y127 Y131 W349 S353Y127-P129 WeakPolarHBondContact O-CD 3.39Å; P129-Y131 VanDerWaalsContact O-CD2 3.25Å; P129-Y131 WeakPolarHBondContact O-CD2 3.48Å; P129-Y131 PolarHBondContact O-N 3.44Å; P129-W349 HydrophobicContact CB-CZ2 3.84Å; P129-W349 HydrophobicContact CG-CH2 4.21Å; P129-W349 HydrophobicContact CG-CZ2 3.7Å; P129-S353 WeakPolarHBondContact CA-OG 3.17Å; P129-S353 VanDerWaalsContact CB-OG 3.27Å; P129-S353 WeakPolarHBondContact CB-OG 3.44Å
130L95.8Very high93.9Very high3 Ų334 Ų342%0.01617%0.168CC..THydrogen-bonded Turntrans64-44.9-177-47.2179.4000115.3V26 F29 L128 G132 Y134 S353V26-L130 HydrophobicContact CG2-CD1 3.99Å; F29-L130 HydrophobicContact CB-CB 4.2Å; F29-L130 HydrophobicContact CB-CD1 3.9Å; F29-L130 HydrophobicContact CB-CG 4.49Å; F29-L130 HydrophobicContact CD1-CD1 4.19Å; F29-L130 HydrophobicContact CD1-CD2 3.84Å; F29-L130 HydrophobicContact CD1-CG 4.47Å; F29-L130 HydrophobicContact CD2-CB 3.84Å; F29-L130 HydrophobicContact CD2-CD2 4.13Å; F29-L130 HydrophobicContact CD2-CG 4.43Å; F29-L130 HydrophobicContact CE1-CD2 3.77Å; F29-L130 HydrophobicContact CE2-CB 4.34Å; F29-L130 HydrophobicContact CE2-CD2 4.09Å; F29-L130 HydrophobicContact CG-CB 4.02Å; F29-L130 HydrophobicContact CG-CD1 4.03Å; F29-L130 HydrophobicContact CG-CD2 3.98Å; F29-L130 HydrophobicContact CG-CG 4.23Å; F29-L130 HydrophobicContact CZ-CD2 3.88Å; L128-L130 PolarHBondContact O-N 3.09Å; L130-G132 PolarHBondContact O-N 3.45Å; L130-Y134 PolarHBondContact O-N 2.92Å; L130-S353 WeakPolarHBondContact CD2-OG 3.47Å; L130-S353 PolarHBondContact N-OG 3.12Å
131Y95.2Very high93.8Very high34 Ų3432.7 Ų32.713%0.13316%0.161CC..Hα-helixtrans-62.7-40.5-177.8-62.2-68.1000113.3V21 S25 Y59 L128 P129 W133 Y134 F135V21-Y131 PolarHBondContact O-OH 2.96Å; S25-Y131 VanDerWaalsContact CB-CZ 3.48Å; S25-Y131 WeakPolarHBondContact CB-OH 3.44Å; Y59-Y131 AromaticContact CE1-CE1 3.89Å; Y59-Y131 HydrophobicContact CE1-CE1 3.89Å; Y59-Y131 HydrophobicContact CE2-CE1 4.3Å; Y59-Y131 AromaticContact CZ-CE1 3.6Å; Y59-Y131 WeakPolarHBondContact OH-CE1 3.25Å; Y59-Y131 PolarHBondContact OH-OH 3.02Å; L128-Y131 HydrophobicContact CB-CD2 4.4Å; L128-Y131 PolarHBondContact O-N 2.94Å; P129-Y131 VanDerWaalsContact O-CD2 3.25Å; P129-Y131 WeakPolarHBondContact O-CD2 3.48Å; P129-Y131 PolarHBondContact O-N 3.44Å; Y131-W133 VanDerWaalsContact C-N 3.28Å; Y131-W133 PolarHBondContact O-N 2.96Å; Y131-Y134 PolarHBondContact O-N 2.87Å; Y131-Y134 VanDerWaalsContact O-N 3.09Å; Y131-F135 HydrophobicContact CD1-CZ 4.36Å; Y131-F135 HydrophobicContact CG-CZ 4.33Å; Y131-F135 WeakPolarHBondContact O-CB 3.44Å; Y131-F135 WeakPolarHBondContact O-CD2 3.47Å; Y131-F135 WeakPolarHBondContact O-CG 3.47Å; Y131-F135 PolarHBondContact O-N 3.03Å
132G93.9Very high93.7Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-57.3-44.5-17600000112.1L128 L130 F136 Y142L128-G132 PolarHBondContact O-N 3.22Å; L130-G132 PolarHBondContact O-N 3.45Å; G132-F136 PolarHBondContact O-N 3.27Å; G132-Y142 WeakPolarHBondContact CA-OH 3.46Å; G132-Y142 PolarHBondContact O-OH 3.4Å
133W95.7Very high93.6Very high44 Ų4428.7 Ų28.717%0.16715%0.146CC..Hα-helixtrans-68.5-44.6173.6176.590.5000112.2F29 I33 Y131 F135 F136 A137 C356 M360F29-W133 HydrophobicContact CD2-CE3 4.34Å; F29-W133 HydrophobicContact CE2-CD2 4.48Å; F29-W133 AromaticContact CE2-CE3 3.72Å; F29-W133 HydrophobicContact CE2-CE3 3.72Å; F29-W133 HydrophobicContact CE2-CZ3 4.04Å; I33-W133 HydrophobicContact CG1-CH2 4.04Å; I33-W133 HydrophobicContact CG1-CZ3 4.09Å; Y131-W133 VanDerWaalsContact C-N 3.28Å; Y131-W133 PolarHBondContact O-N 2.96Å; W133-F135 VanDerWaalsContact C-N 3.3Å; W133-F135 PolarHBondContact O-N 3.31Å; W133-F136 WeakPolarHBondContact O-CB 3.33Å; W133-F136 PolarHBondContact O-N 3.07Å; W133-F136 VanDerWaalsContact O-N 3.13Å; W133-A137 HydrophobicContact CD2-CB 4.38Å; W133-A137 HydrophobicContact CE3-CB 4.3Å; W133-A137 HydrophobicContact CH2-CB 4.1Å; W133-A137 HydrophobicContact CZ2-CB 4.17Å; W133-A137 HydrophobicContact CZ3-CB 4.17Å; W133-A137 WeakPolarHBondContact O-CB 3.44Å; W133-A137 PolarHBondContact O-N 3.27Å; W133-C356 HydrophobicContact CB-CB 3.57Å; W133-C356 WeakPolarHBondContact CB-SG 3.35Å; W133-C356 HydrophobicContact CG-CB 4.11Å; W133-M360 HydrophobicContact CB-CG 4.31Å
134Y96.7Very high93.3Very high4 Ų431.6 Ų31.62%0.01616%0.155CC..Hα-helixtrans-60.5-41.6-180-178.3-89.3000111.6F28 A32 D52 Y56 L130 Y131 F136 A137 H138F28-Y134 AromaticContact CE1-CD1 3.84Å; F28-Y134 HydrophobicContact CE1-CD1 3.84Å; F28-Y134 AromaticContact CE1-CD2 3.74Å; F28-Y134 HydrophobicContact CE1-CD2 3.74Å; F28-Y134 AromaticContact CE1-CE1 3.75Å; F28-Y134 HydrophobicContact CE1-CE1 3.75Å; F28-Y134 AromaticContact CE1-CE2 3.63Å; F28-Y134 HydrophobicContact CE1-CE2 3.63Å; F28-Y134 AromaticContact CE1-CG 3.85Å; F28-Y134 HydrophobicContact CE1-CG 3.85Å; F28-Y134 AromaticContact CE1-CZ 3.64Å; F28-Y134 HydrophobicContact CZ-CD1 4.37Å; F28-Y134 HydrophobicContact CZ-CD2 4.33Å; F28-Y134 AromaticContact CZ-CE1 3.8Å; F28-Y134 HydrophobicContact CZ-CE1 3.8Å; F28-Y134 AromaticContact CZ-CE2 3.74Å; F28-Y134 HydrophobicContact CZ-CE2 3.74Å; F28-Y134 AromaticContact CZ-CZ 3.44Å; F28-Y134 VanDerWaalsContact CZ-CZ 3.44Å; A32-Y134 HydrophobicContact CB-CD2 3.78Å; A32-Y134 HydrophobicContact CB-CE2 3.66Å; D52-Y134 PolarHBondContact O-OH 3.34Å; D52-Y134 PolarHBondContact OD1-OH 3.47Å; Y56-Y134 AromaticContact CD2-CE1 3.78Å; Y56-Y134 HydrophobicContact CD2-CE1 3.78Å; Y56-Y134 HydrophobicContact CE2-CE1 4.48Å; L130-Y134 PolarHBondContact O-N 2.92Å; Y131-Y134 PolarHBondContact O-N 2.87Å; Y131-Y134 VanDerWaalsContact O-N 3.09Å; Y134-F136 VanDerWaalsContact C-N 3.31Å; Y134-F136 PolarHBondContact O-N 3.34Å; Y134-A137 CarbonylContact O-C 3.57Å; Y134-A137 PolarHBondContact O-N 2.98Å; Y134-A137 VanDerWaalsContact O-N 3.17Å; Y134-H138 HydrophobicContact CD1-CB 4.44Å; Y134-H138 HydrophobicContact CE1-CB 3.98Å; Y134-H138 VanDerWaalsContact O-CB 3.28Å; Y134-H138 WeakPolarHBondContact O-CB 3.19Å; Y134-H138 PolarHBondContact O-N 2.84Å
135F96.2Very high92.3Very high43 Ų4336.3 Ų36.319%0.18917%0.165CC..Hα-helixtrans-59.3-41.4176.1-62.8-27.6000112L121 L128 Y131 W133 G139 G140L121-F135 HydrophobicContact CD1-CB 3.65Å; L121-F135 HydrophobicContact CD1-CD2 4.25Å; L121-F135 HydrophobicContact CD1-CG 4.21Å; L128-F135 HydrophobicContact CD1-CE2 4.11Å; Y131-F135 HydrophobicContact CD1-CZ 4.36Å; Y131-F135 HydrophobicContact CG-CZ 4.33Å; Y131-F135 WeakPolarHBondContact O-CB 3.44Å; Y131-F135 WeakPolarHBondContact O-CD2 3.47Å; Y131-F135 WeakPolarHBondContact O-CG 3.47Å; Y131-F135 PolarHBondContact O-N 3.03Å; W133-F135 VanDerWaalsContact C-N 3.3Å; W133-F135 PolarHBondContact O-N 3.31Å; F135-G139 PolarHBondContact O-N 2.8Å; F135-G140 VanDerWaalsContact O-CA 3.31Å; F135-G140 WeakPolarHBondContact O-CA 3.49Å; F135-G140 PolarHBondContact O-N 3.26Å
136F95.1Very high91.2Very high24 Ų2436.2 Ų36.211%0.10518%0.178CC..Hα-helixtrans-63.9-47.7173.4-173.9-111.3000111.7G132 W133 Y134 H138 G139 Y142 I153 Q157 M360 H363 V365G132-F136 PolarHBondContact O-N 3.27Å; W133-F136 WeakPolarHBondContact O-CB 3.33Å; W133-F136 PolarHBondContact O-N 3.07Å; W133-F136 VanDerWaalsContact O-N 3.13Å; Y134-F136 VanDerWaalsContact C-N 3.31Å; Y134-F136 PolarHBondContact O-N 3.34Å; F136-H138 PolarHBondContact O-N 3.13Å; F136-G139 PolarHBondContact O-N 3.35Å; F136-Y142 HydrophobicContact CB-CD2 4.49Å; F136-Y142 HydrophobicContact CB-CE2 3.93Å; F136-Y142 HydrophobicContact CD2-CD2 4.12Å; F136-Y142 HydrophobicContact CD2-CE2 4.39Å; F136-I153 HydrophobicContact CE2-CG2 4.31Å; F136-Q157 HydrophobicContact CD2-CG 4.2Å; F136-Q157 HydrophobicContact CE2-CG 3.59Å; F136-Q157 HydrophobicContact CZ-CG 4.25Å; F136-M360 HydrophobicContact CB-CE 3.69Å; F136-M360 HydrophobicContact CB-SD 3.61Å; F136-M360 HydrophobicContact CD1-SD 3.8Å; F136-M360 HydrophobicContact CD2-CE 4.28Å; F136-M360 HydrophobicContact CG-CE 3.96Å; F136-M360 HydrophobicContact CG-SD 3.75Å; F136-H363 HydrophobicContact CE1-CB 4.38Å; F136-V365 HydrophobicContact CD1-CG2 4.47Å; F136-V365 HydrophobicContact CD2-CG1 4.15Å; F136-V365 HydrophobicContact CD2-CG2 3.94Å; F136-V365 HydrophobicContact CE1-CG2 3.98Å; F136-V365 HydrophobicContact CE2-CB 4.43Å; F136-V365 HydrophobicContact CE2-CG1 4.17Å; F136-V365 HydrophobicContact CE2-CG2 3.34Å; F136-V365 HydrophobicContact CG-CG2 4.44Å; F136-V365 HydrophobicContact CZ-CG2 3.36Å
137A94.7Very high89.5Confident15 Ų1542.6 Ų42.612%0.12422%0.223CC..Hα-helixtrans-64.7-28.7-177.800000112.8R36 W133 Y134R36-A137 PolarHBondContact NH1-O 2.89Å; R36-A137 VanDerWaalsContact NH2-C 3.3Å; R36-A137 PolarHBondContact NH2-O 2.86Å; W133-A137 HydrophobicContact CD2-CB 4.38Å; W133-A137 HydrophobicContact CE3-CB 4.3Å; W133-A137 HydrophobicContact CH2-CB 4.1Å; W133-A137 HydrophobicContact CZ2-CB 4.17Å; W133-A137 HydrophobicContact CZ3-CB 4.17Å; W133-A137 WeakPolarHBondContact O-CB 3.44Å; W133-A137 PolarHBondContact O-N 3.27Å; Y134-A137 CarbonylContact O-C 3.57Å; Y134-A137 PolarHBondContact O-N 2.98Å; Y134-A137 VanDerWaalsContact O-N 3.17Å
138H96.1Very high88Confident5 Ų540.8 Ų40.82%0.02323%0.227CC..Hα-helixtrans-76.5-22.7173.5-167.151.4000111.6D52 D53 Y56 G115 R118 Y134 F136D52-H138 IonicContact OD2-CE1 3.77Å; D52-H138 IonicContact OD2-CG 2.7Å; D52-H138 IonicContact OD2-ND1 3.85Å; D52-H138 PolarHBondContact OD2-ND1 3.08Å; D53-H138 IonicContact OD1-CE1 2.64Å; D53-H138 PolarHBondContact OD1-CE1 3.05Å; D53-H138 VanDerWaalsContact OD1-CE1 3.26Å; Y56-H138 VanDerWaalsContact CB-CE1 3.46Å; Y56-H138 WeakPolarHBondContact CB-CE1 3.32Å; Y56-H138 WeakPolarHBondContact CB-NE2 3.33Å; Y56-H138 AromaticContact CD1-NE2 3.3Å; Y56-H138 VanDerWaalsContact CD1-NE2 3.3Å; Y56-H138 WeakPolarHBondContact CD1-NE2 3.36Å; Y56-H138 AromaticContact CD2-CD2 3.75Å; Y56-H138 AromaticContact CD2-NE2 3.73Å; Y56-H138 AromaticContact CE1-NE2 3.88Å; Y56-H138 AromaticContact CE2-CD2 3.97Å; Y56-H138 AromaticContact CG-CD2 3.72Å; Y56-H138 AromaticContact CG-CE1 3.79Å; Y56-H138 AromaticContact CG-NE2 3.19Å; G115-H138 PolarHBondContact O-CE1 2.81Å; G115-H138 PolarHBondContact O-NE2 3.17Å; R118-H138 WeakPolarHBondContact CD-O 3.29Å; R118-H138 VanDerWaalsContact CZ-NE2 3.27Å; R118-H138 VanDerWaalsContact CZ-O 3.29Å; R118-H138 PolarHBondContact NE-O 3.44Å; R118-H138 PolarHBondContact NH1-CE1 3.33Å; R118-H138 VanDerWaalsContact NH1-CE1 3.25Å; R118-H138 PolarHBondContact NH1-NE2 3.12Å; R118-H138 PolarHBondContact NH2-CE1 3.17Å; R118-H138 VanDerWaalsContact NH2-CE1 3.32Å; R118-H138 PolarHBondContact NH2-O 2.8Å; Y134-H138 HydrophobicContact CD1-CB 4.44Å; Y134-H138 HydrophobicContact CE1-CB 3.98Å; Y134-H138 VanDerWaalsContact O-CB 3.28Å; Y134-H138 WeakPolarHBondContact O-CB 3.19Å; Y134-H138 PolarHBondContact O-N 2.84Å; F136-H138 PolarHBondContact O-N 3.13Å
139G95.7Very high87Confident0 Ų039 Ų390%022%0.216CC..THydrogen-bonded Turntrans116.617.1179.100000114.5F135 F136F135-G139 PolarHBondContact O-N 2.8Å; F136-G139 PolarHBondContact O-N 3.35Å
140G96.2Very high86.1Confident4 Ų440.3 Ų40.34%0.04122%0.221CC..  trans-68.3139.3170.800000111.7Y119 F135Y119-G140 WeakPolarHBondContact O-CA 3.38Å; F135-G140 VanDerWaalsContact O-CA 3.31Å; F135-G140 WeakPolarHBondContact O-CA 3.49Å; F135-G140 PolarHBondContact O-N 3.26Å
141V94.9Very high85.7Confident3 Ų343 Ų432%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-106.3109.7-175.7-169.40000109.7Y119 I120 L121 A154 Q157 L158 L161 L170Y119-V141 PolarHBondContact O-N 3.18Å; I120-V141 CarbonylContact C-O 3.51Å; I120-V141 WeakPolarHBondContact CA-O 3.31Å; I120-V141 HydrophobicContact CD1-CB 3.64Å; I120-V141 HydrophobicContact CD1-CG1 4.21Å; I120-V141 HydrophobicContact CD1-CG2 3.94Å; L121-V141 PolarHBondContact N-O 3.42Å; V141-A154 HydrophobicContact CG1-CB 3.85Å; V141-Q157 HydrophobicContact CG1-CB 4.31Å; V141-Q157 HydrophobicContact CG2-CB 3.99Å; V141-L158 HydrophobicContact CG2-CD2 4.32Å; V141-L161 HydrophobicContact CG2-CD1 4.25Å; V141-L170 HydrophobicContact CG2-CD1 4.38Å
142Y92Very high85.3Confident16 Ų1644.2 Ų44.26%0.06325%0.247CC..EExtended strand (participates in β ladder)trans-77.6135.4178.3-73.3-78.2000112.4L121 L125 Q126 G132 F136 M360 V365L121-Y142 HydrophobicContact CB-CD1 3.69Å; L121-Y142 HydrophobicContact CB-CE1 3.71Å; L121-Y142 HydrophobicContact CB-CG 4.39Å; L121-Y142 HydrophobicContact CD1-CE1 3.95Å; L121-Y142 HydrophobicContact CD1-CE2 4.25Å; L121-Y142 HydrophobicContact CG-CE1 4.48Å; L121-Y142 CarbonylContact O-C 3.4Å; L121-Y142 WeakPolarHBondContact O-CA 3.29Å; L125-Y142 HydrophobicContact CB-CE1 4Å; Q126-Y142 HydrophobicContact CB-CD1 4.29Å; Q126-Y142 HydrophobicContact CB-CE1 3.88Å; Q126-Y142 HydrophobicContact CB-CE2 4.47Å; G132-Y142 WeakPolarHBondContact CA-OH 3.46Å; G132-Y142 PolarHBondContact O-OH 3.4Å; F136-Y142 HydrophobicContact CB-CD2 4.49Å; F136-Y142 HydrophobicContact CB-CE2 3.93Å; F136-Y142 HydrophobicContact CD2-CD2 4.12Å; F136-Y142 HydrophobicContact CD2-CE2 4.39Å; Y142-M360 HydrophobicContact CD2-CE 3.94Å; Y142-M360 HydrophobicContact CE2-CE 3.6Å; Y142-V365 HydrophobicContact CD2-CG1 3.61Å; Y142-V365 HydrophobicContact CE2-CG1 4.47Å; Y142-V365 HydrophobicContact CG-CG1 4.02Å
143V87.5Confident85Confident45 Ų4544.9 Ų44.927%0.27325%0.25SC..EExtended strand (participates in β ladder)trans-131.1133.5177.8-57.10000111.7I120 L121 D123 F149I120-V143 HydrophobicContact CG2-CB 4.36Å; I120-V143 HydrophobicContact CG2-CG1 3.7Å; I120-V143 HydrophobicContact CG2-CG2 3.63Å; L121-V143 WeakPolarHBondContact O-CG2 3.39Å; L121-V143 PolarHBondContact O-N 3.32Å; D123-V143 PolarHBondContact N-O 2.45Å; V143-F149 HydrophobicContact CB-CD2 4.37Å; V143-F149 HydrophobicContact CB-CE2 3.87Å; V143-F149 HydrophobicContact CG1-CE2 3.76Å; V143-F149 HydrophobicContact CG1-CZ 4.3Å
144R81.3Confident84.9Confident84 Ų8443 Ų4332%0.31724%0.243SC..  trans-95.5141.9169.4-71-178.4-171-172.8-0.4109.9D123 V365 A366D123-R144 HydrophobicContact CB-CB 4.41Å; D123-R144 HydrophobicContact CB-CG 3.38Å; D123-R144 WeakPolarHBondContact OD1-CG 2.74Å; D123-R144 IonicContact OD1-CZ 2.91Å; D123-R144 IonicContact OD1-NE 3.61Å; D123-R144 PolarHBondContact OD1-NE 2.83Å; D123-R144 IonicContact OD1-NH2 2.75Å; D123-R144 PolarHBondContact OD1-NH2 3.31Å; D123-R144 VanDerWaalsContact OD1-NH2 3.12Å; D123-R144 IonicContact OD2-CZ 3.12Å; D123-R144 IonicContact OD2-NE 3.38Å; D123-R144 PolarHBondContact OD2-NE 2.92Å; D123-R144 VanDerWaalsContact OD2-NE 3.1Å; D123-R144 IonicContact OD2-NH2 3.1Å; R144-V365 PolarHBondContact NH2-O 3.46Å; R144-A366 VanDerWaalsContact NH2-C 3.3Å; R144-A366 PolarHBondContact NH2-OXT 3.44Å
145R70.4Confident84.7Confident153 Ų15345.1 Ų45.158%0.57726%0.255SS*.SBendtrans-81.9133.6169.1-62.7-173.2-171.1168.39.4108.8G176 T177R145-G176 PolarHBondContact NE-O 2.66Å; R145-G176 PolarHBondContact NH2-O 3.28Å; R145-T177 VanDerWaalsContact NH2-CA 3.31Å; R145-T177 PolarHBondContact NH2-OG1 3.11Å; R145-T177 VanDerWaalsContact NH2-OG1 3.14Å
146G68.1Low84.6Confident57 Ų5750.3 Ų50.359%0.58827%0.273SS*.SBendtrans105.2-167.4172.900000114.4S148 F149G146-S148 PolarHBondContact O-N 3.32Å; G146-F149 PolarHBondContact O-N 2.85Å
147S55.1Low84.6Confident136 Ų13650 Ų5095%0.95127%0.272SS*.THydrogen-bonded Turntrans-66.1-17.8-17447.30000114.3F149S147-F149 PolarHBondContact O-N 3.09Å
148S61.6Low84.7Confident73 Ų7349.5 Ų49.551%0.5127%0.267SS..THydrogen-bonded Turntrans-84.517.2178.870.70000114.1G146 N150G146-S148 PolarHBondContact O-N 3.32Å; S148-N150 PolarHBondContact O-N 3.25Å
149F71Confident84.7Confident32 Ų3252.4 Ų52.414%0.1428%0.281CS..  trans-75.6105.5-179.7179.2-113.5000110.8V143 G146 S147 Q151 A154 L215V143-F149 HydrophobicContact CB-CD2 4.37Å; V143-F149 HydrophobicContact CB-CE2 3.87Å; V143-F149 HydrophobicContact CG1-CE2 3.76Å; V143-F149 HydrophobicContact CG1-CZ 4.3Å; G146-F149 PolarHBondContact O-N 2.85Å; S147-F149 PolarHBondContact O-N 3.09Å; F149-Q151 HydrophobicContact CD1-CB 4.13Å; F149-Q151 HydrophobicContact CE1-CB 3.79Å; F149-Q151 HydrophobicContact CE1-CG 4.15Å; F149-Q151 PolarHBondContact O-N 3.05Å; F149-Q151 VanDerWaalsContact O-N 3.08Å; F149-A154 HydrophobicContact CE2-CB 4.3Å; F149-A154 HydrophobicContact CZ-CB 3.76Å; F149-L215 HydrophobicContact CE1-CD1 3.71Å; F149-L215 HydrophobicContact CZ-CD1 4.09Å
150N76Confident84.7Confident71 Ų7156.5 Ų56.538%0.3830%0.297SS..  trans-77.891.2173.1-170.2-12.4000110.5S148 S152 I153S148-N150 PolarHBondContact O-N 3.25Å; N150-S152 PolarHBondContact O-N 3.05Å; N150-S152 WeakPolarHBondContact OD1-CB 3.34Å; N150-S152 PolarHBondContact OD1-N 3.13Å; N150-S152 PolarHBondContact OD1-OG 3.32Å; N150-I153 HydrophobicContact CB-CD1 4.28Å; N150-I153 PolarHBondContact O-N 3.06Å
151Q85.5Confident84.7Confident61 Ų6156.3 Ų56.329%0.28530%0.295SS..Hα-helixtrans-61.4-28-179-177.3171.7-45.500113.2F149 I153 A154 I155 L215F149-Q151 HydrophobicContact CD1-CB 4.13Å; F149-Q151 HydrophobicContact CE1-CB 3.79Å; F149-Q151 HydrophobicContact CE1-CG 4.15Å; F149-Q151 PolarHBondContact O-N 3.05Å; F149-Q151 VanDerWaalsContact O-N 3.08Å; Q151-I153 VanDerWaalsContact C-N 3.31Å; Q151-I153 PolarHBondContact O-N 3.38Å; Q151-A154 PolarHBondContact O-N 2.86Å; Q151-I155 HydrophobicContact CG-CD1 3.72Å; Q151-I155 HydrophobicContact CG-CG1 4.1Å; Q151-I155 WeakPolarHBondContact O-CG1 3.38Å; Q151-I155 PolarHBondContact O-N 3.12Å; Q151-L215 VanDerWaalsContact CD-CD2 3.41Å; Q151-L215 HydrophobicContact CG-CD1 3.99Å; Q151-L215 HydrophobicContact CG-CD2 3.8Å; Q151-L215 VanDerWaalsContact NE2-CD2 3.27Å
152S88.3Confident84.8Confident59 Ų5959.3 Ų59.341%0.41331%0.306SS..Hα-helixtrans-63.5-35.6-175.971.10000113N150 R156N150-S152 PolarHBondContact O-N 3.05Å; N150-S152 WeakPolarHBondContact OD1-CB 3.34Å; N150-S152 PolarHBondContact OD1-N 3.13Å; N150-S152 PolarHBondContact OD1-OG 3.32Å; S152-R156 WeakPolarHBondContact O-CB 3.4Å; S152-R156 PolarHBondContact O-N 3.06Å
153I88Confident85Confident13 Ų1364 Ų647%0.06733%0.332CS..Hα-helixtrans-73.4-42.2179.6-60176000110.5F136 N150 Q151 I155 R156 Q157 Q364 V365F136-I153 HydrophobicContact CE2-CG2 4.31Å; N150-I153 HydrophobicContact CB-CD1 4.28Å; N150-I153 PolarHBondContact O-N 3.06Å; Q151-I153 VanDerWaalsContact C-N 3.31Å; Q151-I153 PolarHBondContact O-N 3.38Å; I153-I155 VanDerWaalsContact C-N 3.33Å; I153-R156 PolarHBondContact O-N 3.39Å; I153-Q157 PolarHBondContact O-N 2.94Å; I153-Q364 HydrophobicContact CD1-CB 3.57Å; I153-Q364 WeakPolarHBondContact CD1-O 3.47Å; I153-Q364 HydrophobicContact CG1-CB 4.48Å; I153-V365 HydrophobicContact CG2-CG2 4.05Å
154A92.1Very high85.4Confident4 Ų462.5 Ų62.53%0.03332%0.322CS..Hα-helixtrans-59.9-47174.100000110.4V141 F149 Q151 R156 Q157 L158V141-A154 HydrophobicContact CG1-CB 3.85Å; F149-A154 HydrophobicContact CE2-CB 4.3Å; F149-A154 HydrophobicContact CZ-CB 3.76Å; Q151-A154 PolarHBondContact O-N 2.86Å; A154-R156 PolarHBondContact O-N 3.15Å; A154-Q157 PolarHBondContact O-N 2.66Å; A154-L158 VanDerWaalsContact O-CG 3.25Å; A154-L158 WeakPolarHBondContact O-CG 3.25Å; A154-L158 PolarHBondContact O-N 3.38Å
155I93.9Very high85.9Confident49 Ų4963.1 Ų63.125%0.25133%0.332SS..Hα-helixtrans-58.2-46.9175.2-71.3172.8000111Q151 I153 Q157 L158 Q159Q151-I155 HydrophobicContact CG-CD1 3.72Å; Q151-I155 HydrophobicContact CG-CG1 4.1Å; Q151-I155 WeakPolarHBondContact O-CG1 3.38Å; Q151-I155 PolarHBondContact O-N 3.12Å; I153-I155 VanDerWaalsContact C-N 3.33Å; I155-Q157 VanDerWaalsContact C-N 3.31Å; I155-Q157 PolarHBondContact O-N 3.21Å; I155-L158 PolarHBondContact O-N 2.85Å; I155-L158 VanDerWaalsContact O-N 3.14Å; I155-Q159 HydrophobicContact CG2-CG 4.22Å; I155-Q159 WeakPolarHBondContact O-CG 3.4Å; I155-Q159 PolarHBondContact O-N 3.34Å
156R93.6Very high87.1Confident152 Ų15256.1 Ų56.157%0.57431%0.306SS*.Hα-helixtrans-56.6-44.9177.9-172.5-171.5-58-159.82.2112.1S152 I153 A154 Q159 Y160S152-R156 WeakPolarHBondContact O-CB 3.4Å; S152-R156 PolarHBondContact O-N 3.06Å; I153-R156 PolarHBondContact O-N 3.39Å; A154-R156 PolarHBondContact O-N 3.15Å; R156-Q159 PolarHBondContact O-N 3.18Å; R156-Y160 PolarHBondContact O-N 2.76Å
157Q94.8Very high88.5Confident18 Ų1855.2 Ų55.28%0.08429%0.29CS..Hα-helixtrans-67-39.9176.8-78.1-64.8-19.500112.2F136 V141 I153 A154 I155 Q159 Y160 L161F136-Q157 HydrophobicContact CD2-CG 4.2Å; F136-Q157 HydrophobicContact CE2-CG 3.59Å; F136-Q157 HydrophobicContact CZ-CG 4.25Å; V141-Q157 HydrophobicContact CG1-CB 4.31Å; V141-Q157 HydrophobicContact CG2-CB 3.99Å; I153-Q157 PolarHBondContact O-N 2.94Å; A154-Q157 PolarHBondContact O-N 2.66Å; I155-Q157 VanDerWaalsContact C-N 3.31Å; I155-Q157 PolarHBondContact O-N 3.21Å; Q157-Q159 VanDerWaalsContact C-N 3.33Å; Q157-Q159 PolarHBondContact O-N 2.84Å; Q157-Y160 WeakPolarHBondContact O-CB 3.23Å; Q157-Y160 PolarHBondContact O-N 3.38Å; Q157-L161 WeakPolarHBondContact O-CG 3.35Å; Q157-L161 PolarHBondContact O-N 2.88Å
158L96.7Very high90.5Very high4 Ų448.7 Ų48.72%0.02125%0.245CC..Hα-helixtrans-62.1-40.3173.7-65.2171.1000111.4V141 A154 I155 L161 R162 L170 L215 M216 N219 L220V141-L158 HydrophobicContact CG2-CD2 4.32Å; A154-L158 VanDerWaalsContact O-CG 3.25Å; A154-L158 WeakPolarHBondContact O-CG 3.25Å; A154-L158 PolarHBondContact O-N 3.38Å; I155-L158 PolarHBondContact O-N 2.85Å; I155-L158 VanDerWaalsContact O-N 3.14Å; L158-L161 PolarHBondContact O-N 2.8Å; L158-R162 WeakPolarHBondContact O-CB 3.26Å; L158-R162 PolarHBondContact O-N 2.86Å; L158-L170 HydrophobicContact CD2-CD2 3.68Å; L158-L215 HydrophobicContact CD1-CB 4.31Å; L158-M216 HydrophobicContact CD1-CG 4.44Å; L158-M216 HydrophobicContact CD2-CG 3.99Å; L158-N219 HydrophobicContact CB-CB 3.98Å; L158-N219 HydrophobicContact CD1-CB 4.17Å; L158-L220 HydrophobicContact CB-CD2 4.23Å; L158-L220 HydrophobicContact CB-CG 4.43Å; L158-L220 HydrophobicContact CD2-CD1 3.66Å; L158-L220 HydrophobicContact CD2-CG 4.17Å; L158-L220 WeakPolarHBondContact O-CD2 3.35Å
159Q96.5Very high92.2Very high66 Ų6645.3 Ų45.331%0.30822%0.221SC..Hα-helixtrans-65.8-37.1175.2-67.4-61-27.700112.3I155 R156 Q157 R162 N163 N219I155-Q159 HydrophobicContact CG2-CG 4.22Å; I155-Q159 WeakPolarHBondContact O-CG 3.4Å; I155-Q159 PolarHBondContact O-N 3.34Å; R156-Q159 PolarHBondContact O-N 3.18Å; Q157-Q159 VanDerWaalsContact C-N 3.33Å; Q157-Q159 PolarHBondContact O-N 2.84Å; Q159-R162 WeakPolarHBondContact O-CB 3.34Å; Q159-R162 PolarHBondContact O-N 2.89Å; Q159-N163 PolarHBondContact O-N 2.96Å; Q159-N163 VanDerWaalsContact O-N 3.16Å; Q159-N163 PolarHBondContact O-ND2 3.47Å; Q159-N219 PolarHBondContact NE2-OD1 3.17Å
160Y95.5Very high93.5Very high86 Ų8643.8 Ų43.834%0.33721%0.214SC..Hα-helixtrans-58.4-48.3170.2168.1-107.8000111.6R156 Q157 R162 N163 L164R156-Y160 PolarHBondContact O-N 2.76Å; Q157-Y160 WeakPolarHBondContact O-CB 3.23Å; Q157-Y160 PolarHBondContact O-N 3.38Å; Y160-R162 PolarHBondContact O-N 2.98Å; Y160-N163 PolarHBondContact O-N 3.48Å; Y160-L164 HydrophobicContact CE1-CD1 4.36Å; Y160-L164 HydrophobicContact CE2-CD1 3.86Å; Y160-L164 PolarHBondContact O-N 2.95Å; Y160-L164 VanDerWaalsContact O-N 3.12Å; Y160-L164 WeakPolarHBondContact OH-CD1 3.49Å
161L97.2Very high94.5Very high0 Ų040.4 Ų40.40%020%0.196CC..Hα-helixtrans-65.7-36.6177.5-62.7177.9000112.9K88 R118 V141 Q157 L158 N163 L164 T168 L170K88-L161 PolarHBondContact NZ-O 2.85Å; R118-L161 HydrophobicContact CG-CD2 3.96Å; V141-L161 HydrophobicContact CG2-CD1 4.25Å; Q157-L161 WeakPolarHBondContact O-CG 3.35Å; Q157-L161 PolarHBondContact O-N 2.88Å; L158-L161 PolarHBondContact O-N 2.8Å; L161-N163 VanDerWaalsContact C-N 3.27Å; L161-N163 PolarHBondContact O-N 3.28Å; L161-L164 PolarHBondContact O-N 3.14Å; L161-T168 HydrophobicContact CD2-CG2 4.12Å; L161-L170 HydrophobicContact CD1-CD1 4.08Å; L161-L170 HydrophobicContact CD1-CD2 3.88Å; L161-L170 HydrophobicContact CD1-CG 4.43Å
162R96.8Very high95.1Very high67 Ų6738 Ų3825%0.25319%0.185SC..Hα-helixtrans-54.5-46.5174.3-171.5-172177107-3.9110.6K88 L158 Q159 Y160 N219 L220 D222 A223K88-R162 PolarHBondContact NZ-O 3.25Å; L158-R162 WeakPolarHBondContact O-CB 3.26Å; L158-R162 PolarHBondContact O-N 2.86Å; Q159-R162 WeakPolarHBondContact O-CB 3.34Å; Q159-R162 PolarHBondContact O-N 2.89Å; Y160-R162 PolarHBondContact O-N 2.98Å; R162-N219 WeakPolarHBondContact CD-O 3.47Å; R162-N219 PolarHBondContact NH1-O 2.94Å; R162-L220 HydrophobicContact CB-CD2 3.91Å; R162-D222 IonicContact NH1-OD2 3.35Å; R162-D222 IonicContact NH2-OD2 3.61Å; R162-A223 HydrophobicContact CG-CB 3.54Å
163N95.9Very high95.5Very high114 Ų11436.5 Ų36.561%0.6117%0.171SC*.Hα-helixtrans-88.8-6.4-173-62.6-22.3000114.3Q159 Y160 L161 D165Q159-N163 PolarHBondContact O-N 2.96Å; Q159-N163 VanDerWaalsContact O-N 3.16Å; Q159-N163 PolarHBondContact O-ND2 3.47Å; Y160-N163 PolarHBondContact O-N 3.48Å; L161-N163 VanDerWaalsContact C-N 3.27Å; L161-N163 PolarHBondContact O-N 3.28Å; N163-D165 PolarHBondContact O-N 3.44Å
164L94.9Very high95.9Very high13 Ų1336 Ų367%0.06817%0.169CC..  trans-67.2116.1-178.4-158.972.7000111.1A49 K88 Y160 L161 V166A49-L164 HydrophobicContact CB-CD1 3.9Å; A49-L164 HydrophobicContact CB-CG 4.25Å; K88-L164 WeakPolarHBondContact CE-O 3.36Å; K88-L164 PolarHBondContact NZ-O 2.97Å; Y160-L164 HydrophobicContact CE1-CD1 4.36Å; Y160-L164 HydrophobicContact CE2-CD1 3.86Å; Y160-L164 PolarHBondContact O-N 2.95Å; Y160-L164 VanDerWaalsContact O-N 3.12Å; Y160-L164 WeakPolarHBondContact OH-CD1 3.49Å; L161-L164 PolarHBondContact O-N 3.14Å; L164-V166 HydrophobicContact CD2-CG2 3.56Å; L164-V166 HydrophobicContact CG-CG2 3.84Å; L164-V166 PolarHBondContact O-N 2.77Å
165D93.3Very high96Very high97 Ų9736 Ų3652%0.51917%0.168SC..SBendtrans-80.345.7-177.6-171.740.5000113.4R46 N163R46-D165 WeakPolarHBondContact CD-OD2 3.44Å; R46-D165 IonicContact CZ-OD2 2.77Å; R46-D165 IonicContact NE-OD2 3.26Å; R46-D165 IonicContact NH1-OD1 3.71Å; R46-D165 IonicContact NH1-OD2 3.07Å; R46-D165 PolarHBondContact NH1-OD2 2.74Å; N163-D165 PolarHBondContact O-N 3.44Å
166V95.3Very high95.9Very high7 Ų735.3 Ų35.34%0.04217%0.173CC..SBendtrans-141.2154.7172.6-56.60000110.4R46 A49 L50 K88 L164 T168R46-V166 HydrophobicContact CG-CG1 4.2Å; A49-V166 HydrophobicContact CB-CG1 3.9Å; A49-V166 HydrophobicContact CB-CG2 4.13Å; L50-V166 HydrophobicContact CD2-CB 4.35Å; L50-V166 HydrophobicContact CD2-CG1 3.69Å; L50-V166 HydrophobicContact CG-CG1 3.77Å; K88-V166 WeakPolarHBondContact CE-O 3.47Å; L164-V166 HydrophobicContact CD2-CG2 3.56Å; L164-V166 HydrophobicContact CG-CG2 3.84Å; L164-V166 PolarHBondContact O-N 2.77Å; V166-T168 PolarHBondContact O-N 2.87Å; V166-T168 PolarHBondContact O-OG1 3.03Å
167P95.8Very high95.8Very high37 Ų3728.8 Ų28.824%0.2415%0.15CC..  trans-54131.3171.9-24.334.5000110.1R113 S116R113-P167 VanDerWaalsContact NH2-CB 3.31Å; S116-P167 WeakPolarHBondContact CB-O 3.34Å
168T97.3Very high95.8Very high0 Ų032.6 Ų32.60%016%0.163CC..  trans-138.9133.8-171.9-61.20000110.2K88 A89 R118 L161 V166 F224K88-T168 CarbonylContact C-O 3.46Å; K88-T168 VanDerWaalsContact CA-O 3.27Å; K88-T168 WeakPolarHBondContact CA-O 3.35Å; A89-T168 PolarHBondContact N-O 3.15Å; R118-T168 HydrophobicContact CG-CG2 3.99Å; L161-T168 HydrophobicContact CD2-CG2 4.12Å; V166-T168 PolarHBondContact O-N 2.87Å; V166-T168 PolarHBondContact O-OG1 3.03Å; T168-F224 HydrophobicContact CG2-CZ 4.22Å
169S97.4Very high95.8Very high1 Ų133.4 Ų33.41%0.00717%0.167CC..EExtended strand (participates in β ladder)trans-122.2109.7-179.3-72.90000110.5A89 Y91 R113 S116 L117 R118A89-S169 CarbonylContact O-C 3.56Å; A89-S169 WeakPolarHBondContact O-CA 3.29Å; Y91-S169 WeakPolarHBondContact CE2-OG 3.28Å; R113-S169 PolarHBondContact NH2-OG 3.08Å; S116-S169 PolarHBondContact O-N 2.86Å; L117-S169 CarbonylContact C-O 3.58Å; L117-S169 WeakPolarHBondContact CA-O 3.36Å; R118-S169 PolarHBondContact N-O 3.27Å
170L98.2Very high95.8Very high0 Ų032.8 Ų32.80%016%0.164CC..EExtended strand (participates in β ladder)trans-101.6114.3-178.6-178.961.4000111.4A89 L90 Y91 R118 I120 V141 L158 L161 M216 L220 F224A89-L170 PolarHBondContact O-N 2.94Å; L90-L170 HydrophobicContact CD2-CB 3.91Å; L90-L170 HydrophobicContact CD2-CD2 4.21Å; L90-L170 HydrophobicContact CD2-CG 4.45Å; Y91-L170 PolarHBondContact N-O 3.42Å; R118-L170 HydrophobicContact CB-CD1 3.74Å; R118-L170 WeakPolarHBondContact O-CA 3.5Å; I120-L170 HydrophobicContact CD1-CD1 3.98Å; I120-L170 HydrophobicContact CD1-CD2 4.12Å; I120-L170 HydrophobicContact CD1-CG 4.24Å; I120-L170 HydrophobicContact CG1-CD1 4.41Å; V141-L170 HydrophobicContact CG2-CD1 4.38Å; L158-L170 HydrophobicContact CD2-CD2 3.68Å; L161-L170 HydrophobicContact CD1-CD1 4.08Å; L161-L170 HydrophobicContact CD1-CD2 3.88Å; L161-L170 HydrophobicContact CD1-CG 4.43Å; L170-M216 HydrophobicContact CB-CE 4.44Å; L170-M216 HydrophobicContact CD2-CE 3.57Å; L170-M216 HydrophobicContact CD2-CG 4.39Å; L170-M216 HydrophobicContact CD2-SD 4.26Å; L170-M216 HydrophobicContact CG-CE 3.78Å; L170-L220 HydrophobicContact CD2-CD1 3.76Å; L170-F224 HydrophobicContact CB-CE1 4.36Å
171V98.1Very high95.7Very high0 Ų032 Ų320%017%0.169CC..EExtended strand (participates in β ladder)trans-92.9122.8-177.4-174.50000111.5Y91 F104 L117 R118 Y119 I120 F173Y91-V171 HydrophobicContact CG-CG2 4.47Å; F104-V171 HydrophobicContact CD1-CG1 4.29Å; F104-V171 HydrophobicContact CD1-CG2 3.81Å; F104-V171 HydrophobicContact CD2-CG1 3.86Å; F104-V171 HydrophobicContact CE1-CG1 4.05Å; F104-V171 HydrophobicContact CE1-CG2 4.09Å; F104-V171 HydrophobicContact CE2-CG1 3.6Å; F104-V171 HydrophobicContact CG-CG1 4.22Å; F104-V171 HydrophobicContact CG-CG2 4.07Å; F104-V171 HydrophobicContact CZ-CG1 3.71Å; L117-V171 HydrophobicContact CD2-CG2 4.32Å; R118-V171 PolarHBondContact O-N 2.9Å; Y119-V171 HydrophobicContact CD1-CB 3.63Å; Y119-V171 HydrophobicContact CD1-CG1 4.05Å; Y119-V171 HydrophobicContact CD1-CG2 4.13Å; Y119-V171 HydrophobicContact CE1-CB 3.8Å; Y119-V171 HydrophobicContact CE1-CG1 4.04Å; Y119-V171 HydrophobicContact CE1-CG2 3.86Å; Y119-V171 HydrophobicContact CG-CB 4.43Å; I120-V171 PolarHBondContact N-O 3.44Å; V171-F173 HydrophobicContact CG1-CD2 4.5Å; V171-F173 HydrophobicContact CG1-CE2 3.9Å; V171-F173 HydrophobicContact CG1-CZ 4.05Å
172L97.6Very high95.6Very high11 Ų1136.2 Ų36.26%0.05820%0.199CC..EExtended strand (participates in β ladder)trans-114.9140.4172.9173.366.1000110Y91 I92 C93 I120 P174 M213 M216Y91-L172 PolarHBondContact O-N 2.84Å; I92-L172 WeakPolarHBondContact CA-O 3.34Å; I92-L172 HydrophobicContact CG2-CD2 4.35Å; C93-L172 PolarHBondContact N-O 3.26Å; I120-L172 HydrophobicContact CB-CD1 4.07Å; I120-L172 HydrophobicContact CG1-CB 4.05Å; I120-L172 HydrophobicContact CG1-CD1 3.83Å; I120-L172 HydrophobicContact CG2-CD1 4.1Å; L172-P174 HydrophobicContact CD2-CB 4.49Å; L172-P174 HydrophobicContact CD2-CG 3.84Å; L172-P174 HydrophobicContact CG-CG 3.86Å; L172-P174 VanDerWaalsContact O-CD 3.3Å; L172-P174 WeakPolarHBondContact O-CD 3.2Å; L172-M213 HydrophobicContact CD2-CB 4.22Å; L172-M213 HydrophobicContact CD2-SD 4.37Å; L172-M216 HydrophobicContact CB-CE 3.99Å; L172-M216 HydrophobicContact CB-SD 3.86Å; L172-M216 HydrophobicContact CD1-SD 4.35Å; L172-M216 HydrophobicContact CD2-CE 4.49Å; L172-M216 HydrophobicContact CD2-SD 3.71Å; L172-M216 HydrophobicContact CG-SD 4.15Å
173F97.1Very high95.5Very high28 Ų2835.6 Ų35.612%0.12320%0.198CC..  trans-110.885.3168-67.6-76.9000109.2C93 H95 D100 F104 V171 E175 G176C93-F173 HydrophobicContact CB-CD1 3.76Å; C93-F173 HydrophobicContact CB-CE1 3.62Å; H95-F173 HydrophobicContact CB-CB 3.92Å; H95-F173 HydrophobicContact CB-CD1 3.7Å; H95-F173 HydrophobicContact CB-CG 4.08Å; H95-F173 AromaticContact CG-CD1 3.76Å; H95-F173 AromaticContact CG-CG 3.88Å; H95-F173 AromaticContact ND1-CD1 3.77Å; D100-F173 HydrophobicContact CB-CE1 3.69Å; D100-F173 HydrophobicContact CB-CZ 3.71Å; F104-F173 HydrophobicContact CD2-CZ 4.13Å; F104-F173 HydrophobicContact CE2-CE1 4.06Å; F104-F173 AromaticContact CE2-CZ 3.82Å; F104-F173 HydrophobicContact CE2-CZ 3.82Å; V171-F173 HydrophobicContact CG1-CD2 4.5Å; V171-F173 HydrophobicContact CG1-CE2 3.9Å; V171-F173 HydrophobicContact CG1-CZ 4.05Å; F173-E175 PolarHBondContact O-N 2.84Å; F173-E175 VanDerWaalsContact O-N 3.09Å; F173-G176 PolarHBondContact O-N 2.83Å
174P96.3Very high95.5Very high3 Ų337.1 Ų37.12%0.01920%0.203CC..THydrogen-bonded Turntrans-58-28-169.2-27.934.8000114.9I92 C93 L172 G176 P208 R209 L285 F289I92-P174 HydrophobicContact CB-CG 4.08Å; I92-P174 HydrophobicContact CG2-CG 4.09Å; C93-P174 WeakPolarHBondContact O-CD 3.34Å; L172-P174 HydrophobicContact CD2-CB 4.49Å; L172-P174 HydrophobicContact CD2-CG 3.84Å; L172-P174 HydrophobicContact CG-CG 3.86Å; L172-P174 VanDerWaalsContact O-CD 3.3Å; L172-P174 WeakPolarHBondContact O-CD 3.2Å; P174-G176 PolarHBondContact O-N 2.94Å; P174-P208 HydrophobicContact CB-CB 3.5Å; P174-P208 VanDerWaalsContact CB-CB 3.5Å; P174-R209 WeakPolarHBondContact O-CA 3.12Å; P174-R209 VanDerWaalsContact O-CB 3.31Å; P174-R209 WeakPolarHBondContact O-CB 3.48Å; P174-R209 PolarHBondContact O-N 3.24Å; P174-L285 HydrophobicContact CB-CD1 4.36Å; P174-L285 HydrophobicContact CB-CD2 4.46Å; P174-L285 HydrophobicContact CG-CD1 4.23Å; P174-F289 HydrophobicContact CB-CE2 3.94Å; P174-F289 HydrophobicContact CB-CZ 3.92Å; P174-F289 HydrophobicContact CG-CE2 3.81Å; P174-F289 HydrophobicContact CG-CZ 3.88Å
175E95Very high95.5Very high3 Ų347.3 Ų47.31%0.01424%0.241CC..THydrogen-bonded Turntrans-53.3-29.6174.7-61.9-172.9-122.800112.8N94 H95 F173 T177 L206 F289N94-E175 VanDerWaalsContact C-OE1 3.32Å; N94-E175 WeakPolarHBondContact CA-OE1 3.36Å; N94-E175 VanDerWaalsContact CB-OE1 3.26Å; N94-E175 WeakPolarHBondContact CB-OE1 3.15Å; H95-E175 HydrophobicContact CB-CB 4.5Å; H95-E175 PolarHBondContact N-OE1 3.39Å; F173-E175 PolarHBondContact O-N 2.84Å; F173-E175 VanDerWaalsContact O-N 3.09Å; E175-T177 PolarHBondContact O-N 3.14Å; E175-T177 VanDerWaalsContact O-N 3.11Å; E175-L206 HydrophobicContact CB-CB 4.12Å; E175-L206 HydrophobicContact CG-CB 4.13Å; E175-L206 WeakPolarHBondContact OE2-CA 3.43Å; E175-L206 VanDerWaalsContact OE2-CB 3.23Å; E175-L206 WeakPolarHBondContact OE2-CB 3.3Å; E175-L206 WeakPolarHBondContact OE2-CG 3.39Å; E175-L206 PolarHBondContact OE2-N 3.26Å; E175-F289 HydrophobicContact CG-CD1 4.19Å; E175-F289 HydrophobicContact CG-CE1 3.46Å; E175-F289 VanDerWaalsContact CG-CE1 3.46Å; E175-F289 HydrophobicContact CG-CZ 4.23Å
176G89.9Confident95.6Very high34 Ų3445 Ų4535%0.35123%0.229SC..SBendtrans75.9-13.7178.700000113.8R145 F173 P174R145-G176 PolarHBondContact NE-O 2.66Å; R145-G176 PolarHBondContact NH2-O 3.28Å; F173-G176 PolarHBondContact O-N 2.83Å; P174-G176 PolarHBondContact O-N 2.94Å
177T92.6Very high95.7Very high15 Ų1545.6 Ų45.69%0.09223%0.231CC..SBendtrans-146.7155.6174.4-162.60000109.7R145 E175 F179 K183 D186 L206R145-T177 VanDerWaalsContact NH2-CA 3.31Å; R145-T177 PolarHBondContact NH2-OG1 3.11Å; R145-T177 VanDerWaalsContact NH2-OG1 3.14Å; E175-T177 PolarHBondContact O-N 3.14Å; E175-T177 VanDerWaalsContact O-N 3.11Å; T177-F179 PolarHBondContact O-N 3.06Å; T177-K183 PolarHBondContact OG1-NZ 2.98Å; T177-D186 HydrophobicContact CG2-CB 4.04Å; T177-D186 PolarHBondContact OG1-OD2 3.14Å; T177-L206 HydrophobicContact CG2-CD1 3.18Å
178R95.4Very high95.8Very high98 Ų9846.6 Ų46.637%0.3724%0.243SC..  trans-69.3127.1175.7-67.4168.6-76.3160.9-2.7110.8H95 H180 K183H95-R178 WeakPolarHBondContact CE1-CG 3.38Å; H95-R178 VanDerWaalsContact NE2-CG 3.34Å; H95-R178 WeakPolarHBondContact NE2-CG 3.26Å; H95-R178 CarbonylContact O-C 3.59Å; H95-R178 VanDerWaalsContact O-CA 3.22Å; H95-R178 WeakPolarHBondContact O-CA 3.5Å; R178-H180 PolarHBondContact O-N 2.79Å; R178-K183 VanDerWaalsContact O-CD 3.29Å; R178-K183 WeakPolarHBondContact O-CD 3.48Å; R178-K183 PolarHBondContact O-NZ 3.06Å; R178-K183 VanDerWaalsContact O-NZ 3.09Å
179F96.8Very high95.7Very high22 Ų2252.5 Ų52.510%0.09627%0.268CS..  trans-64.9124.8163.3178.6-90.7000109.5H95 Q96 T177 I187 Q203 K204 L206H95-F179 PolarHBondContact O-N 2.61Å; Q96-F179 HydrophobicContact CG-CB 4.34Å; T177-F179 PolarHBondContact O-N 3.06Å; F179-I187 HydrophobicContact CD2-CD1 4.49Å; F179-I187 HydrophobicContact CD2-CG1 4.26Å; F179-I187 HydrophobicContact CE2-CD1 3.99Å; F179-I187 HydrophobicContact CE2-CG1 4.05Å; F179-I187 HydrophobicContact CZ-CD1 4.41Å; F179-Q203 VanDerWaalsContact CZ-O 3.23Å; F179-Q203 WeakPolarHBondContact CZ-O 3.4Å; F179-K204 VanDerWaalsContact CD1-O 3.32Å; F179-K204 WeakPolarHBondContact CD1-O 3.25Å; F179-L206 HydrophobicContact CB-CD1 4.49Å; F179-L206 HydrophobicContact CB-CG 4.11Å; F179-L206 HydrophobicContact CD2-CD2 3.81Å; F179-L206 HydrophobicContact CD2-CG 4.01Å
180H95.5Very high95.7Very high52 Ų5252.6 Ų52.624%0.24127%0.269CS..  trans-156.4136.8172.4-174-88.7000108.9R178 S182 K183 I187 L246R178-H180 PolarHBondContact O-N 2.79Å; H180-S182 PolarHBondContact CE1-OG 3.47Å; H180-S182 VanDerWaalsContact CE1-OG 3.32Å; H180-S182 WeakPolarHBondContact ND1-CB 3.35Å; H180-S182 PolarHBondContact ND1-N 3.43Å; H180-S182 VanDerWaalsContact ND1-N 3.14Å; H180-S182 PolarHBondContact ND1-OG 2.89Å; H180-S182 PolarHBondContact O-N 2.93Å; H180-S182 VanDerWaalsContact O-N 3.09Å; H180-K183 HydrophobicContact CB-CD 4.37Å; H180-K183 HydrophobicContact CB-CG 4.41Å; H180-K183 WeakPolarHBondContact O-CB 3.35Å; H180-K183 PolarHBondContact O-N 3.01Å; H180-I187 WeakPolarHBondContact O-CD1 3.37Å; H180-L246 WeakPolarHBondContact NE2-CD1 3.31Å
181P93.9Very high95.6Very high69 Ų6958 Ų5845%0.44829%0.289SS..THydrogen-bonded Turntrans-53.5-33.5-176.8-29.235.8000114.7K183 L246P181-K183 PolarHBondContact O-N 2.88Å; P181-L246 HydrophobicContact CG-CD1 3.89Å
182S94.5Very high95.6Very high90 Ų9062.6 Ų62.663%0.62931%0.311SS*.THydrogen-bonded Turntrans-68.6-14.6176.973.30000114.5H180 M184H180-S182 PolarHBondContact CE1-OG 3.47Å; H180-S182 VanDerWaalsContact CE1-OG 3.32Å; H180-S182 WeakPolarHBondContact ND1-CB 3.35Å; H180-S182 PolarHBondContact ND1-N 3.43Å; H180-S182 VanDerWaalsContact ND1-N 3.14Å; H180-S182 PolarHBondContact ND1-OG 2.89Å; H180-S182 PolarHBondContact O-N 2.93Å; H180-S182 VanDerWaalsContact O-N 3.09Å; S182-M184 VanDerWaalsContact C-N 3.29Å; S182-M184 PolarHBondContact O-N 3.4Å
183K94.8Very high95.5Very high54 Ų5464.2 Ų64.224%0.23532%0.319CS..  trans-92.155.5179.6-67.3-179.8172.2-175.80112T177 R178 H180 P181 R185 D186 I187T177-K183 PolarHBondContact OG1-NZ 2.98Å; R178-K183 VanDerWaalsContact O-CD 3.29Å; R178-K183 WeakPolarHBondContact O-CD 3.48Å; R178-K183 PolarHBondContact O-NZ 3.06Å; R178-K183 VanDerWaalsContact O-NZ 3.09Å; H180-K183 HydrophobicContact CB-CD 4.37Å; H180-K183 HydrophobicContact CB-CG 4.41Å; H180-K183 WeakPolarHBondContact O-CB 3.35Å; H180-K183 PolarHBondContact O-N 3.01Å; P181-K183 PolarHBondContact O-N 2.88Å; K183-R185 PolarHBondContact O-N 2.73Å; K183-R185 VanDerWaalsContact O-N 3.1Å; K183-D186 HydrophobicContact CB-CB 4.22Å; K183-D186 PolarHBondContact O-N 3.43Å; K183-I187 PolarHBondContact O-N 3.22Å; K183-I187 VanDerWaalsContact O-N 3.12Å
184M95.6Very high95.5Very high145 Ų14562.9 Ų62.971%0.71431%0.313SS*.Hα-helixtrans-52.8-37.7-175.1-62.2-174.1-74.400113.4S182 I187 A188S182-M184 VanDerWaalsContact C-N 3.29Å; S182-M184 PolarHBondContact O-N 3.4Å; M184-I187 PolarHBondContact O-N 2.91Å; M184-A188 VanDerWaalsContact O-CB 3.31Å; M184-A188 WeakPolarHBondContact O-CB 3.3Å; M184-A188 PolarHBondContact O-N 2.83Å
185R96.1Very high95.5Very high227 Ų22767.8 Ų67.886%0.85734%0.338SS*.Hα-helixtrans-65.1-42.6178.1-65.7-176.4-177173.90.6113.2K183 K189K183-R185 PolarHBondContact O-N 2.73Å; K183-R185 VanDerWaalsContact O-N 3.1Å; R185-K189 WeakPolarHBondContact O-CB 3.04Å; R185-K189 PolarHBondContact O-N 3.03Å
186D95.3Very high95.5Very high50 Ų5073.7 Ų73.727%0.26737%0.366SS..Hα-helixtrans-67.4-41.3178.4-76.7-26.1000110.4T177 K183 S190T177-D186 HydrophobicContact CG2-CB 4.04Å; T177-D186 PolarHBondContact OG1-OD2 3.14Å; K183-D186 HydrophobicContact CB-CB 4.22Å; K183-D186 PolarHBondContact O-N 3.43Å; D186-S190 VanDerWaalsContact O-CB 3.32Å; D186-S190 WeakPolarHBondContact O-CB 3.28Å; D186-S190 PolarHBondContact O-N 3.08Å
187I97.2Very high95.8Very high18 Ų1873.5 Ų73.59%0.09236%0.361CS..Hα-helixtrans-63-49.2176.4-65.4170.2000110.6F179 H180 K183 M184 K189 S190 R191 L206F179-I187 HydrophobicContact CD2-CD1 4.49Å; F179-I187 HydrophobicContact CD2-CG1 4.26Å; F179-I187 HydrophobicContact CE2-CD1 3.99Å; F179-I187 HydrophobicContact CE2-CG1 4.05Å; F179-I187 HydrophobicContact CZ-CD1 4.41Å; H180-I187 WeakPolarHBondContact O-CD1 3.37Å; K183-I187 PolarHBondContact O-N 3.22Å; K183-I187 VanDerWaalsContact O-N 3.12Å; M184-I187 PolarHBondContact O-N 2.91Å; I187-K189 PolarHBondContact O-N 3.43Å; I187-S190 WeakPolarHBondContact O-CB 3.45Å; I187-S190 PolarHBondContact O-N 3.38Å; I187-R191 HydrophobicContact CG2-CG 4.47Å; I187-R191 WeakPolarHBondContact O-CG 3.47Å; I187-R191 PolarHBondContact O-N 3.42Å; I187-L206 HydrophobicContact CB-CD2 4.49Å; I187-L206 HydrophobicContact CG1-CD2 4Å
188A97Very high95.9Very high58 Ų5880.1 Ų80.148%0.47940%0.396SS..Hα-helixtrans-59.3-46.6178.500000111.6M184 S190 R191 Q192M184-A188 VanDerWaalsContact O-CB 3.31Å; M184-A188 WeakPolarHBondContact O-CB 3.3Å; M184-A188 PolarHBondContact O-N 2.83Å; A188-S190 VanDerWaalsContact C-N 3.32Å; A188-S190 PolarHBondContact O-N 2.81Å; A188-R191 PolarHBondContact O-N 2.95Å; A188-Q192 WeakPolarHBondContact O-CB 3.39Å; A188-Q192 PolarHBondContact O-N 3.15Å
189K96Very high95.9Very high125 Ų12577.7 Ų77.754%0.54339%0.392SS..Hα-helixtrans-59.8-42.1175.4-177.4174.7-177.4170.60112R185 I187 L193R185-K189 WeakPolarHBondContact O-CB 3.04Å; R185-K189 PolarHBondContact O-N 3.03Å; I187-K189 PolarHBondContact O-N 3.43Å; K189-L193 HydrophobicContact CG-CD1 4.05Å; K189-L193 VanDerWaalsContact O-CD1 3.26Å; K189-L193 WeakPolarHBondContact O-CD1 3.43Å; K189-L193 VanDerWaalsContact O-CG 3.25Å; K189-L193 WeakPolarHBondContact O-CG 3.42Å; K189-L193 PolarHBondContact O-N 3.08Å; K189-L193 VanDerWaalsContact O-N 3.13Å
190S96.9Very high95.9Very high2 Ų284.8 Ų84.81%0.01443%0.427CS..Hα-helixtrans-61.3-46.1176.7172.30000112.1D186 I187 A188 L193 A194 L206 L207D186-S190 VanDerWaalsContact O-CB 3.32Å; D186-S190 WeakPolarHBondContact O-CB 3.28Å; D186-S190 PolarHBondContact O-N 3.08Å; I187-S190 WeakPolarHBondContact O-CB 3.45Å; I187-S190 PolarHBondContact O-N 3.38Å; A188-S190 VanDerWaalsContact C-N 3.32Å; A188-S190 PolarHBondContact O-N 2.81Å; S190-L193 PolarHBondContact O-N 3.28Å; S190-A194 PolarHBondContact O-N 3.37Å; S190-A194 VanDerWaalsContact O-N 3.07Å; S190-L206 WeakPolarHBondContact OG-CA 3.44Å; S190-L207 PolarHBondContact OG-N 2.84Å
191R96.8Very high95.9Very high115 Ų11584.6 Ų84.643%0.43443%0.43SS..Hα-helixtrans-63.6-42.7178.4-69.9176.7176.5167.8-1.1111.9I187 A188 L193 A194 I195 P201I187-R191 HydrophobicContact CG2-CG 4.47Å; I187-R191 WeakPolarHBondContact O-CG 3.47Å; I187-R191 PolarHBondContact O-N 3.42Å; A188-R191 PolarHBondContact O-N 2.95Å; R191-L193 VanDerWaalsContact C-N 3.33Å; R191-L193 PolarHBondContact O-N 3.42Å; R191-A194 WeakPolarHBondContact O-CB 3.36Å; R191-A194 PolarHBondContact O-N 3.41Å; R191-A194 VanDerWaalsContact O-N 3.12Å; R191-I195 WeakPolarHBondContact O-CG1 3.49Å; R191-I195 PolarHBondContact O-N 3.37Å; R191-I195 VanDerWaalsContact O-N 3.08Å; R191-P201 HydrophobicContact CB-CB 4.12Å; R191-P201 HydrophobicContact CG-CB 3.98Å
192Q97Very high96Very high96 Ų9682 Ų8245%0.44941%0.413SS..Hα-helixtrans-57.8-45.9175.7-179.757.43100111.8A188 A194 I195 E196A188-Q192 WeakPolarHBondContact O-CB 3.39Å; A188-Q192 PolarHBondContact O-N 3.15Å; Q192-A194 VanDerWaalsContact C-N 3.27Å; Q192-A194 PolarHBondContact O-N 2.86Å; Q192-I195 PolarHBondContact O-N 3.31Å; Q192-E196 WeakPolarHBondContact CG-OE1 3.45Å; Q192-E196 PolarHBondContact NE2-OE1 3.5Å; Q192-E196 WeakPolarHBondContact O-CG 3.26Å; Q192-E196 PolarHBondContact O-N 2.79Å
193L95.5Very high96Very high44 Ų4482.5 Ų82.523%0.2341%0.406CS..Hα-helixtrans-66.9-27.7177.8-68.6159.3000113.5K189 S190 R191 A197 L207K189-L193 HydrophobicContact CG-CD1 4.05Å; K189-L193 VanDerWaalsContact O-CD1 3.26Å; K189-L193 WeakPolarHBondContact O-CD1 3.43Å; K189-L193 VanDerWaalsContact O-CG 3.25Å; K189-L193 WeakPolarHBondContact O-CG 3.42Å; K189-L193 PolarHBondContact O-N 3.08Å; K189-L193 VanDerWaalsContact O-N 3.13Å; S190-L193 PolarHBondContact O-N 3.28Å; R191-L193 VanDerWaalsContact C-N 3.33Å; R191-L193 PolarHBondContact O-N 3.42Å; L193-A197 WeakPolarHBondContact O-CB 3.5Å; L193-A197 PolarHBondContact O-N 3.41Å; L193-L207 HydrophobicContact CB-CD2 3.82Å
194A97.3Very high96.1Very high0 Ų081.8 Ų81.80%040%0.403CS..Hα-helixtrans-69.9-43.5175.500000110.4S190 R191 Q192 A197 D198 V199 P201 L207S190-A194 PolarHBondContact O-N 3.37Å; S190-A194 VanDerWaalsContact O-N 3.07Å; R191-A194 WeakPolarHBondContact O-CB 3.36Å; R191-A194 PolarHBondContact O-N 3.41Å; R191-A194 VanDerWaalsContact O-N 3.12Å; Q192-A194 VanDerWaalsContact C-N 3.27Å; Q192-A194 PolarHBondContact O-N 2.86Å; A194-A197 CarbonylContact O-C 3.59Å; A194-A197 PolarHBondContact O-N 2.88Å; A194-D198 PolarHBondContact O-N 2.76Å; A194-D198 VanDerWaalsContact O-N 3.14Å; A194-V199 CarbonylContact C-O 3.59Å; A194-V199 HydrophobicContact CB-CG2 3.95Å; A194-V199 WeakPolarHBondContact O-CG2 3.39Å; A194-V199 PolarHBondContact O-N 2.83Å; A194-V199 VanDerWaalsContact O-O 3.09Å; A194-P201 HydrophobicContact CB-CB 4.12Å; A194-P201 HydrophobicContact CB-CG 4.16Å; A194-L207 HydrophobicContact CB-CD1 4.23Å; A194-L207 HydrophobicContact CB-CD2 4.23Å
195I96.4Very high96.1Very high106 Ų10675 Ų7554%0.54437%0.369SS..Hα-helixtrans-60.1-48.5173.8-62.6166.1000110.4R191 Q192 A197 D198 P201R191-I195 WeakPolarHBondContact O-CG1 3.49Å; R191-I195 PolarHBondContact O-N 3.37Å; R191-I195 VanDerWaalsContact O-N 3.08Å; Q192-I195 PolarHBondContact O-N 3.31Å; I195-A197 PolarHBondContact O-N 3.47Å; I195-D198 PolarHBondContact O-N 3.28Å; I195-P201 HydrophobicContact CG1-CG 3.9Å
196E95.8Very high96.2Very high127 Ų12764.5 Ų64.559%0.59333%0.33SS*.Hα-helixtrans-61.7-28.6177.4-72.1167.7-167.800113.4Q192 D198Q192-E196 WeakPolarHBondContact CG-OE1 3.45Å; Q192-E196 PolarHBondContact NE2-OE1 3.5Å; Q192-E196 WeakPolarHBondContact O-CG 3.26Å; Q192-E196 PolarHBondContact O-N 2.79Å; E196-D198 VanDerWaalsContact C-N 3.34Å
197A94.8Very high96.3Very high30 Ų3062.8 Ų62.825%0.24832%0.321CS..THydrogen-bonded Turntrans-90.94.7177.800000113.7L193 A194 I195 V199 Y286L193-A197 WeakPolarHBondContact O-CB 3.5Å; L193-A197 PolarHBondContact O-N 3.41Å; A194-A197 CarbonylContact O-C 3.59Å; A194-A197 PolarHBondContact O-N 2.88Å; I195-A197 PolarHBondContact O-N 3.47Å; A197-V199 VanDerWaalsContact C-N 3.33Å; A197-V199 HydrophobicContact CB-CG2 4.24Å; A197-V199 PolarHBondContact O-N 2.95Å; A197-Y286 HydrophobicContact CB-CE2 3.81Å
198D95.6Very high96.3Very high154 Ų15462 Ų6282%0.82432%0.317SS*.THydrogen-bonded Turntrans54.446.1-177.4-16636.5000112.8A194 I195 E196A194-D198 PolarHBondContact O-N 2.76Å; A194-D198 VanDerWaalsContact O-N 3.14Å; I195-D198 PolarHBondContact O-N 3.28Å; E196-D198 VanDerWaalsContact C-N 3.34Å
199V95.9Very high96.1Very high48 Ų4864 Ų6429%0.29131%0.312SS..SBendtrans-129.8152.6174.1-62.30000110.9A194 A197 P201 L207 Y286A194-V199 CarbonylContact C-O 3.59Å; A194-V199 HydrophobicContact CB-CG2 3.95Å; A194-V199 WeakPolarHBondContact O-CG2 3.39Å; A194-V199 PolarHBondContact O-N 2.83Å; A194-V199 VanDerWaalsContact O-O 3.09Å; A197-V199 VanDerWaalsContact C-N 3.33Å; A197-V199 HydrophobicContact CB-CG2 4.24Å; A197-V199 PolarHBondContact O-N 2.95Å; V199-P201 WeakPolarHBondContact O-CD 3.3Å; V199-L207 HydrophobicContact CG2-CD1 3.77Å; V199-Y286 HydrophobicContact CG1-CD2 4.02Å; V199-Y286 HydrophobicContact CG2-CD2 4.26Å
200M95.1Very high95.9Very high171 Ų17159.2 Ų59.284%0.84229%0.292SS*.PPolyproline II helixtrans-58.8126.3178.2-177.4174.8-101.100110.6
201P96.6Very high95.6Very high47 Ų4765.1 Ų65.131%0.30531%0.314SS..PPolyproline II helixtrans-61.7126.4177.7-25.935.8000112R191 A194 I195 V199R191-P201 HydrophobicContact CB-CB 4.12Å; R191-P201 HydrophobicContact CG-CB 3.98Å; A194-P201 HydrophobicContact CB-CB 4.12Å; A194-P201 HydrophobicContact CB-CG 4.16Å; I195-P201 HydrophobicContact CG1-CG 3.9Å; V199-P201 WeakPolarHBondContact O-CD 3.3Å
202P96.1Very high95.3Very high14 Ų1461 Ų619%0.09131%0.308CS..PPolyproline II helixtrans-68.2149.2-179.726.9-33.3000111.7T205 L207 D293P202-T205 WeakPolarHBondContact CB-O 3.4Å; P202-T205 WeakPolarHBondContact CB-OG1 3.22Å; P202-L207 HydrophobicContact CG-CB 4.45Å; P202-D293 HydrophobicContact CB-CB 4.4Å; P202-D293 WeakPolarHBondContact CB-OD1 3.38Å
203Q95Very high95.2Very high101 Ų10156.5 Ų56.547%0.47229%0.286SS..SBendtrans-105.8-33.3-177.1-61.3-167.927.900114F179 D293F179-Q203 VanDerWaalsContact CZ-O 3.23Å; F179-Q203 WeakPolarHBondContact CZ-O 3.4Å; Q203-D293 PolarHBondContact N-OD1 3.43Å; Q203-D293 VanDerWaalsContact N-OD1 3.1Å; Q203-D293 PolarHBondContact N-OD2 3.3Å
204K95.3Very high95.2Very high39 Ų3956.1 Ų56.117%0.1728%0.283CS..SBendtrans-119.50.2-174.8-58.8-61.2-179.1-176.70113.3Q96 F179 E242 D293 I296 Q297Q96-K204 PolarHBondContact NE2-O 3.27Å; Q96-K204 VanDerWaalsContact NE2-O 3.07Å; F179-K204 VanDerWaalsContact CD1-O 3.32Å; F179-K204 WeakPolarHBondContact CD1-O 3.25Å; K204-E242 IonicContact NZ-OE1 3.72Å; K204-E242 PolarHBondContact NZ-OE1 2.88Å; K204-D293 WeakPolarHBondContact CA-OD1 3.34Å; K204-D293 PolarHBondContact N-OD1 2.85Å; K204-I296 HydrophobicContact CB-CB 4.03Å; K204-I296 HydrophobicContact CB-CG2 3.66Å; K204-I296 HydrophobicContact CG-CG2 4.07Å; K204-Q297 HydrophobicContact CG-CG 3.61Å
205T97.2Very high95.1Very high2 Ų256.5 Ų56.51%0.01229%0.285CS..SBendtrans-135.3175.7173.8610000110N94 P202 K292 D293 I296N94-T205 HydrophobicContact CB-CG2 4.26Å; P202-T205 WeakPolarHBondContact CB-O 3.4Å; P202-T205 WeakPolarHBondContact CB-OG1 3.22Å; T205-K292 HydrophobicContact CG2-CB 4.48Å; T205-D293 HydrophobicContact CG2-CB 4.39Å; T205-D293 PolarHBondContact N-OD1 3.46Å; T205-D293 PolarHBondContact OG1-OD1 3.44Å; T205-I296 HydrophobicContact CG2-CD1 3.78Å
206L97.6Very high95Very high7 Ų751.6 Ų51.64%0.03726%0.26CS..  trans-105.1154.1167.1-54.6171.7000110.6E175 T177 F179 I187 S190E175-L206 HydrophobicContact CB-CB 4.12Å; E175-L206 HydrophobicContact CG-CB 4.13Å; E175-L206 WeakPolarHBondContact OE2-CA 3.43Å; E175-L206 VanDerWaalsContact OE2-CB 3.23Å; E175-L206 WeakPolarHBondContact OE2-CB 3.3Å; E175-L206 WeakPolarHBondContact OE2-CG 3.39Å; E175-L206 PolarHBondContact OE2-N 3.26Å; T177-L206 HydrophobicContact CG2-CD1 3.18Å; F179-L206 HydrophobicContact CB-CD1 4.49Å; F179-L206 HydrophobicContact CB-CG 4.11Å; F179-L206 HydrophobicContact CD2-CD2 3.81Å; F179-L206 HydrophobicContact CD2-CG 4.01Å; I187-L206 HydrophobicContact CB-CD2 4.49Å; I187-L206 HydrophobicContact CG1-CD2 4Å; S190-L206 WeakPolarHBondContact OG-CA 3.44Å
207L97.4Very high95.1Very high14 Ų1445.6 Ų45.67%0.07323%0.232CC..PPolyproline II helixtrans-63.7125173.8-170.878.7000108.6S190 L193 A194 V199 P202 Y286S190-L207 PolarHBondContact OG-N 2.84Å; L193-L207 HydrophobicContact CB-CD2 3.82Å; A194-L207 HydrophobicContact CB-CD1 4.23Å; A194-L207 HydrophobicContact CB-CD2 4.23Å; V199-L207 HydrophobicContact CG2-CD1 3.77Å; P202-L207 HydrophobicContact CG-CB 4.45Å; L207-Y286 HydrophobicContact CD1-CD1 4Å; L207-Y286 HydrophobicContact CD1-CD2 4.4Å; L207-Y286 HydrophobicContact CD1-CE1 4.01Å; L207-Y286 HydrophobicContact CD1-CE2 4.43Å; L207-Y286 HydrophobicContact CD1-CG 4.19Å; L207-Y286 HydrophobicContact CD2-CE1 4.3Å; L207-Y286 HydrophobicContact CD2-CE2 4.48Å; L207-Y286 HydrophobicContact CG-CD1 4.39Å; L207-Y286 HydrophobicContact CG-CE1 3.94Å
208P96.6Very high95.2Very high2 Ų249.2 Ų49.21%0.01324%0.244CC..PPolyproline II helixtrans-68.1144.9-174.329.9-37.5000111.5P174 L285 Y286 F289P174-P208 HydrophobicContact CB-CB 3.5Å; P174-P208 VanDerWaalsContact CB-CB 3.5Å; P208-L285 HydrophobicContact CB-CD1 4.44Å; P208-L285 HydrophobicContact CB-CD2 3.96Å; P208-L285 HydrophobicContact CB-CG 3.99Å; P208-L285 HydrophobicContact CG-CD1 4.49Å; P208-L285 HydrophobicContact CG-CD2 4.08Å; P208-L285 HydrophobicContact CG-CG 3.75Å; P208-Y286 HydrophobicContact CG-CD1 3.62Å; P208-Y286 HydrophobicContact CG-CE1 3.9Å; P208-Y286 WeakPolarHBondContact O-CE1 3.16Å; P208-F289 HydrophobicContact CB-CD1 4.26Å; P208-F289 HydrophobicContact CB-CD2 3.82Å; P208-F289 HydrophobicContact CB-CE1 4.35Å; P208-F289 HydrophobicContact CB-CE2 3.9Å; P208-F289 HydrophobicContact CB-CG 4.01Å; P208-F289 HydrophobicContact CB-CZ 4.17Å; P208-F289 HydrophobicContact CG-CB 3.97Å; P208-F289 HydrophobicContact CG-CD1 4.26Å; P208-F289 HydrophobicContact CG-CD2 3.64Å; P208-F289 HydrophobicContact CG-CE2 4.24Å; P208-F289 HydrophobicContact CG-CG 3.65Å
209R92.7Very high95.2Very high100 Ų10042.5 Ų42.538%0.37721%0.208SC..PPolyproline II helixtrans-80.8116.9173.1-55-61.1175.7176.9-13.3109.1P174P174-R209 WeakPolarHBondContact O-CA 3.12Å; P174-R209 VanDerWaalsContact O-CB 3.31Å; P174-R209 WeakPolarHBondContact O-CB 3.48Å; P174-R209 PolarHBondContact O-N 3.24Å
210F92.2Very high95.3Very high24 Ų2440.2 Ų40.211%0.10519%0.194CC..Hα-helixtrans-67.7-41.5-170.8172.3-108.8000114.7G212 M213 H214 E278 L281 K282F210-G212 VanDerWaalsContact C-N 3.31Å; F210-G212 PolarHBondContact O-N 3.13Å; F210-G212 VanDerWaalsContact O-N 3.15Å; F210-M213 PolarHBondContact O-N 2.79Å; F210-M213 VanDerWaalsContact O-N 3.08Å; F210-H214 HydrophobicContact CD1-CB 4.35Å; F210-H214 HydrophobicContact CE1-CB 3.67Å; F210-H214 AromaticContact CE1-CG 3.82Å; F210-H214 AromaticContact CE1-ND1 3.75Å; F210-H214 HydrophobicContact CE2-CB 4.11Å; F210-H214 HydrophobicContact CZ-CB 3.54Å; F210-H214 AromaticContact CZ-CG 3.69Å; F210-H214 PolarHBondContact O-N 2.89Å; F210-E278 HydrophobicContact CD1-CG 4.45Å; F210-E278 HydrophobicContact CE1-CG 3.21Å; F210-E278 HydrophobicContact CZ-CB 4.26Å; F210-E278 HydrophobicContact CZ-CG 3.27Å; F210-E278 VanDerWaalsContact CZ-O 3.3Å; F210-E278 WeakPolarHBondContact CZ-O 3.32Å; F210-L281 HydrophobicContact CE2-CB 3.97Å; F210-L281 HydrophobicContact CE2-CD2 3.97Å; F210-L281 HydrophobicContact CE2-CG 3.83Å; F210-L281 HydrophobicContact CZ-CB 4.48Å; F210-L281 HydrophobicContact CZ-CD2 4.34Å; F210-K282 HydrophobicContact CB-CG 4.24Å; F210-K282 HydrophobicContact CD2-CB 3.54Å; F210-K282 HydrophobicContact CD2-CG 3.87Å; F210-K282 HydrophobicContact CE2-CB 3.65Å; F210-K282 HydrophobicContact CE2-CG 4.45Å; F210-K282 HydrophobicContact CG-CB 4.06Å; F210-K282 HydrophobicContact CG-CD 4.3Å; F210-K282 HydrophobicContact CG-CG 3.98Å; F210-K282 HydrophobicContact CZ-CB 4.25Å
211R90.5Very high95.4Very high126 Ų12632.3 Ų32.348%0.47516%0.157SC..Hα-helixtrans-55.4-39.1-168.8-171.8175.6-177.5177.91114.3H214 L215R211-H214 PolarHBondContact O-N 2.81Å; R211-L215 HydrophobicContact CG-CD1 4.18Å; R211-L215 WeakPolarHBondContact O-CG 3.44Å; R211-L215 PolarHBondContact O-N 3.36Å; R211-L215 VanDerWaalsContact O-N 3.08Å
212G91.2Very high95.3Very high30 Ų3035.4 Ų35.431%0.30917%0.171SC..Hα-helixtrans-64.6-45.2179.200000112.3F210 L215 M216F210-G212 VanDerWaalsContact C-N 3.31Å; F210-G212 PolarHBondContact O-N 3.13Å; F210-G212 VanDerWaalsContact O-N 3.15Å; G212-L215 PolarHBondContact O-N 2.82Å; G212-M216 WeakPolarHBondContact O-CG 3.39Å; G212-M216 PolarHBondContact O-N 3.5Å
213M95.1Very high95.3Very high0 Ų036.2 Ų36.20%018%0.179CC..Hα-helixtrans-62.6-43.9175.5-175.865.2-178.300111.2I92 L172 F210 L215 M216 V217 V227 V274 L281 W284 L285I92-M213 HydrophobicContact CG2-CE 4.46Å; I92-M213 HydrophobicContact CG2-SD 3.83Å; L172-M213 HydrophobicContact CD2-CB 4.22Å; L172-M213 HydrophobicContact CD2-SD 4.37Å; F210-M213 PolarHBondContact O-N 2.79Å; F210-M213 VanDerWaalsContact O-N 3.08Å; M213-L215 PolarHBondContact O-N 2.77Å; M213-M216 PolarHBondContact O-N 3.07Å; M213-V217 HydrophobicContact CE-CG2 3.53Å; M213-V217 HydrophobicContact CG-CG2 4.32Å; M213-V217 WeakPolarHBondContact O-CG2 3.3Å; M213-V217 PolarHBondContact O-N 3.27Å; M213-V217 HydrophobicContact SD-CG2 4.17Å; M213-V227 HydrophobicContact CE-CG1 4.47Å; M213-V227 HydrophobicContact CE-CG2 4.13Å; M213-V274 HydrophobicContact CE-CG1 4.21Å; M213-L281 HydrophobicContact CE-CD1 4.15Å; M213-L281 HydrophobicContact CG-CD1 4.16Å; M213-L281 HydrophobicContact CG-CD2 4.33Å; M213-L281 HydrophobicContact CG-CG 4.36Å; M213-W284 HydrophobicContact CE-CE3 4.5Å; M213-W284 HydrophobicContact CE-CH2 4.22Å; M213-W284 HydrophobicContact CE-CZ3 3.64Å; M213-L285 HydrophobicContact CB-CD2 3.85Å; M213-L285 HydrophobicContact CG-CD1 4.42Å; M213-L285 HydrophobicContact CG-CD2 4.19Å
214H95.1Very high95.4Very high37 Ų3731.7 Ų31.717%0.17116%0.157CC..Hα-helixtrans-56.5-52178.7-173.2-163000111.8F210 R211 M216 V217 E218 E278 L281F210-H214 HydrophobicContact CD1-CB 4.35Å; F210-H214 HydrophobicContact CE1-CB 3.67Å; F210-H214 AromaticContact CE1-CG 3.82Å; F210-H214 AromaticContact CE1-ND1 3.75Å; F210-H214 HydrophobicContact CE2-CB 4.11Å; F210-H214 HydrophobicContact CZ-CB 3.54Å; F210-H214 AromaticContact CZ-CG 3.69Å; F210-H214 PolarHBondContact O-N 2.89Å; R211-H214 PolarHBondContact O-N 2.81Å; H214-M216 VanDerWaalsContact C-N 3.29Å; H214-M216 PolarHBondContact O-N 3.45Å; H214-V217 PolarHBondContact O-N 3.38Å; H214-E218 VanDerWaalsContact O-CB 3.26Å; H214-E218 WeakPolarHBondContact O-CB 3.49Å; H214-E218 PolarHBondContact O-N 2.93Å; H214-E278 IonicContact CE1-OE2 2.92Å; H214-E278 PolarHBondContact CE1-OE2 3.29Å; H214-E278 IonicContact ND1-OE2 3.62Å; H214-L281 HydrophobicContact CB-CD2 4.45Å
215L93.9Very high95.5Very high8 Ų833.7 Ų33.74%0.04217%0.17CC..Hα-helixtrans-59.9-39.5-180-69.1170.8000112.5F149 Q151 L158 R211 G212 M213 N219F149-L215 HydrophobicContact CE1-CD1 3.71Å; F149-L215 HydrophobicContact CZ-CD1 4.09Å; Q151-L215 VanDerWaalsContact CD-CD2 3.41Å; Q151-L215 HydrophobicContact CG-CD1 3.99Å; Q151-L215 HydrophobicContact CG-CD2 3.8Å; Q151-L215 VanDerWaalsContact NE2-CD2 3.27Å; L158-L215 HydrophobicContact CD1-CB 4.31Å; R211-L215 HydrophobicContact CG-CD1 4.18Å; R211-L215 WeakPolarHBondContact O-CG 3.44Å; R211-L215 PolarHBondContact O-N 3.36Å; R211-L215 VanDerWaalsContact O-N 3.08Å; G212-L215 PolarHBondContact O-N 2.82Å; M213-L215 PolarHBondContact O-N 2.77Å; L215-N219 WeakPolarHBondContact O-CB 3.17Å; L215-N219 PolarHBondContact O-N 2.8Å; L215-N219 VanDerWaalsContact O-N 3.1Å; L215-N219 PolarHBondContact O-ND2 3.34Å
216M96.1Very high95.5Very high3 Ų333.6 Ų33.62%0.01517%0.169CC..Hα-helixtrans-67-47.9178.1-70.9172.158.100111.6L90 I120 L158 L170 L172 G212 M213 H214 E218 N219 L220L90-M216 HydrophobicContact CB-CE 4.38Å; L90-M216 HydrophobicContact CD1-CB 4.03Å; L90-M216 HydrophobicContact CD1-CE 4.03Å; L90-M216 HydrophobicContact CD2-CE 3.5Å; L90-M216 VanDerWaalsContact CD2-CE 3.5Å; L90-M216 HydrophobicContact CG-CE 4.19Å; I120-M216 HydrophobicContact CD1-SD 3.88Å; I120-M216 HydrophobicContact CG1-SD 3.91Å; L158-M216 HydrophobicContact CD1-CG 4.44Å; L158-M216 HydrophobicContact CD2-CG 3.99Å; L170-M216 HydrophobicContact CB-CE 4.44Å; L170-M216 HydrophobicContact CD2-CE 3.57Å; L170-M216 HydrophobicContact CD2-CG 4.39Å; L170-M216 HydrophobicContact CD2-SD 4.26Å; L170-M216 HydrophobicContact CG-CE 3.78Å; L172-M216 HydrophobicContact CB-CE 3.99Å; L172-M216 HydrophobicContact CB-SD 3.86Å; L172-M216 HydrophobicContact CD1-SD 4.35Å; L172-M216 HydrophobicContact CD2-CE 4.49Å; L172-M216 HydrophobicContact CD2-SD 3.71Å; L172-M216 HydrophobicContact CG-SD 4.15Å; G212-M216 WeakPolarHBondContact O-CG 3.39Å; G212-M216 PolarHBondContact O-N 3.5Å; M213-M216 PolarHBondContact O-N 3.07Å; H214-M216 VanDerWaalsContact C-N 3.29Å; H214-M216 PolarHBondContact O-N 3.45Å; M216-E218 PolarHBondContact O-N 3.13Å; M216-N219 PolarHBondContact O-N 3.44Å; M216-L220 WeakPolarHBondContact O-CA 3.35Å; M216-L220 WeakPolarHBondContact O-CB 3.3Å; M216-L220 PolarHBondContact O-N 3.23Å
217V97.3Very high95.5Very high1 Ų133.3 Ų33.31%0.00617%0.168CC..Hα-helixtrans-65.1-39.5179.3172.70000111.9M213 H214 G221 V274 R276 L281M213-V217 HydrophobicContact CE-CG2 3.53Å; M213-V217 HydrophobicContact CG-CG2 4.32Å; M213-V217 WeakPolarHBondContact O-CG2 3.3Å; M213-V217 PolarHBondContact O-N 3.27Å; M213-V217 HydrophobicContact SD-CG2 4.17Å; H214-V217 PolarHBondContact O-N 3.38Å; V217-G221 WeakPolarHBondContact O-CA 3.31Å; V217-G221 PolarHBondContact O-N 3.4Å; V217-V274 HydrophobicContact CG2-CG1 4.12Å; V217-R276 PolarHBondContact O-NH1 3.49Å; V217-L281 HydrophobicContact CB-CD2 3.92Å; V217-L281 HydrophobicContact CG1-CD2 4.17Å; V217-L281 HydrophobicContact CG2-CD1 4.12Å; V217-L281 HydrophobicContact CG2-CD2 3.97Å
218E96Very high95.5Very high105 Ų10532.7 Ų32.749%0.49116%0.164SC..Hα-helixtrans-62.3-43.9177.1-177.6-177.4-148.800111.7H214 M216H214-E218 VanDerWaalsContact O-CB 3.26Å; H214-E218 WeakPolarHBondContact O-CB 3.49Å; H214-E218 PolarHBondContact O-N 2.93Å; M216-E218 PolarHBondContact O-N 3.13Å
219N96.8Very high95.5Very high14 Ų1432.7 Ų32.78%0.07516%0.164CC..Hα-helixtrans-92.4-25.7-173.3-72.5-92.1000113.8L158 Q159 R162 L215 M216L158-N219 HydrophobicContact CB-CB 3.98Å; L158-N219 HydrophobicContact CD1-CB 4.17Å; Q159-N219 PolarHBondContact NE2-OD1 3.17Å; R162-N219 WeakPolarHBondContact CD-O 3.47Å; R162-N219 PolarHBondContact NH1-O 2.94Å; L215-N219 WeakPolarHBondContact O-CB 3.17Å; L215-N219 PolarHBondContact O-N 2.8Å; L215-N219 VanDerWaalsContact O-N 3.1Å; L215-N219 PolarHBondContact O-ND2 3.34Å; M216-N219 PolarHBondContact O-N 3.44Å
220L97.4Very high95.7Very high0 Ų027.9 Ų27.90%015%0.146CC..Hα-helixtrans-114.5-18.9-171.9-58.6-179.1000114.3L90 L158 R162 L170 M216 D222 A223 F224L90-L220 HydrophobicContact CD2-CD1 3.69Å; L158-L220 HydrophobicContact CB-CD2 4.23Å; L158-L220 HydrophobicContact CB-CG 4.43Å; L158-L220 HydrophobicContact CD2-CD1 3.66Å; L158-L220 HydrophobicContact CD2-CG 4.17Å; L158-L220 WeakPolarHBondContact O-CD2 3.35Å; R162-L220 HydrophobicContact CB-CD2 3.91Å; L170-L220 HydrophobicContact CD2-CD1 3.76Å; M216-L220 WeakPolarHBondContact O-CA 3.35Å; M216-L220 WeakPolarHBondContact O-CB 3.3Å; M216-L220 PolarHBondContact O-N 3.23Å; L220-D222 PolarHBondContact O-N 2.95Å; L220-A223 CarbonylContact O-C 2.83Å; L220-A223 PolarHBondContact O-N 3.2Å; L220-F224 HydrophobicContact CB-CB 4.49Å; L220-F224 HydrophobicContact CB-CD2 3.72Å; L220-F224 HydrophobicContact CB-CE2 4.11Å; L220-F224 HydrophobicContact CB-CG 4.05Å; L220-F224 HydrophobicContact CD1-CD2 4.37Å; L220-F224 HydrophobicContact CD1-CE1 4.27Å; L220-F224 HydrophobicContact CD1-CE2 4.01Å; L220-F224 HydrophobicContact CD1-CZ 3.96Å; L220-F224 HydrophobicContact CD2-CD2 4.14Å; L220-F224 HydrophobicContact CD2-CE2 3.73Å; L220-F224 HydrophobicContact CD2-CZ 4.38Å; L220-F224 HydrophobicContact CG-CD2 4.3Å; L220-F224 HydrophobicContact CG-CE2 4.18Å; L220-F224 WeakPolarHBondContact O-CB 3.23Å; L220-F224 PolarHBondContact O-N 3.49Å
221G96.3Very high96Very high5 Ų526.8 Ų26.85%0.05214%0.141CC..THydrogen-bonded Turntrans-65.5-15.4-16700000115.3V217 M271 R276V217-G221 WeakPolarHBondContact O-CA 3.31Å; V217-G221 PolarHBondContact O-N 3.4Å; G221-M271 WeakPolarHBondContact O-CG 3.43Å; G221-R276 VanDerWaalsContact C-CZ 3.46Å; G221-R276 VanDerWaalsContact CA-CZ 3.49Å; G221-R276 VanDerWaalsContact CA-NH1 3.27Å; G221-R276 PolarHBondContact O-NH2 3.48Å
222D95.5Very high96.4Very high112 Ų11220.8 Ų20.860%0.59912%0.119SC*.THydrogen-bonded Turntrans-91.3-10.9174.7-44.6-32.4000112.9R162 L220 R276R162-D222 IonicContact NH1-OD2 3.35Å; R162-D222 IonicContact NH2-OD2 3.61Å; L220-D222 PolarHBondContact O-N 2.95Å; D222-R276 IonicContact OD1-CZ 3.12Å; D222-R276 IonicContact OD1-NH1 2.75Å; D222-R276 PolarHBondContact OD1-NH1 3.23Å; D222-R276 VanDerWaalsContact OD1-NH1 3.07Å; D222-R276 IonicContact OD1-NH2 3.98Å; D222-R276 PolarHBondContact OD1-NH2 2.64Å
223A96.5Very high96.6Very high31 Ų3119.4 Ų19.426%0.25610%0.104SC..THydrogen-bonded Turntrans-116.1-13.4-17800000113R162 L220R162-A223 HydrophobicContact CG-CB 3.54Å; L220-A223 CarbonylContact O-C 2.83Å; L220-A223 PolarHBondContact O-N 3.2Å
224F97.5Very high96.7Very high5 Ų519.5 Ų19.52%0.02211%0.105CC..  trans-106.6136.9178.3-83.1-125.3000109.3K88 A89 L90 T168 L170 L220 M271K88-F224 HydrophobicContact CB-CB 4.34Å; K88-F224 HydrophobicContact CB-CD1 3.92Å; K88-F224 HydrophobicContact CB-CD2 3.9Å; K88-F224 HydrophobicContact CB-CE1 4.14Å; K88-F224 HydrophobicContact CB-CE2 4.13Å; K88-F224 HydrophobicContact CB-CG 3.79Å; K88-F224 HydrophobicContact CB-CZ 4.24Å; K88-F224 HydrophobicContact CD-CD2 4.13Å; K88-F224 HydrophobicContact CD-CE2 3.95Å; K88-F224 HydrophobicContact CD-CZ 4.49Å; K88-F224 CarbonylContact O-C 3.6Å; K88-F224 WeakPolarHBondContact O-CA 3.4Å; A89-F224 VanDerWaalsContact C-CD1 3.42Å; A89-F224 WeakPolarHBondContact O-CE1 3.5Å; L90-F224 HydrophobicContact CD2-CD1 3.48Å; L90-F224 VanDerWaalsContact CD2-CD1 3.48Å; L90-F224 HydrophobicContact CD2-CE1 3.6Å; L90-F224 HydrophobicContact CD2-CG 4.33Å; L90-F224 HydrophobicContact CG-CD1 3.82Å; L90-F224 HydrophobicContact CG-CE1 4.43Å; L90-F224 HydrophobicContact CG-CG 4.48Å; T168-F224 HydrophobicContact CG2-CZ 4.22Å; L170-F224 HydrophobicContact CB-CE1 4.36Å; L220-F224 HydrophobicContact CB-CB 4.49Å; L220-F224 HydrophobicContact CB-CD2 3.72Å; L220-F224 HydrophobicContact CB-CE2 4.11Å; L220-F224 HydrophobicContact CB-CG 4.05Å; L220-F224 HydrophobicContact CD1-CD2 4.37Å; L220-F224 HydrophobicContact CD1-CE1 4.27Å; L220-F224 HydrophobicContact CD1-CE2 4.01Å; L220-F224 HydrophobicContact CD1-CZ 3.96Å; L220-F224 HydrophobicContact CD2-CD2 4.14Å; L220-F224 HydrophobicContact CD2-CE2 3.73Å; L220-F224 HydrophobicContact CD2-CZ 4.38Å; L220-F224 HydrophobicContact CG-CD2 4.3Å; L220-F224 HydrophobicContact CG-CE2 4.18Å; L220-F224 WeakPolarHBondContact O-CB 3.23Å; L220-F224 PolarHBondContact O-N 3.49Å; F224-M271 HydrophobicContact CB-CE 3.85Å; F224-M271 WeakPolarHBondContact O-CB 3.31Å; F224-M271 WeakPolarHBondContact O-CG 3.14Å
225D96.8Very high96.8Very high82 Ų8218.8 Ų18.844%0.43910%0.101SC..  trans-82-31.6-169.5-55.2-70.6000112.9E87 K88 M271E87-D225 VanDerWaalsContact CA-OD2 3.25Å; E87-D225 WeakPolarHBondContact CA-OD2 3.42Å; E87-D225 HydrophobicContact CB-CB 4.01Å; E87-D225 WeakPolarHBondContact CB-OD2 3.42Å; K88-D225 PolarHBondContact N-OD2 3.25Å; K88-D225 PolarHBondContact O-N 2.68Å; D225-M271 WeakPolarHBondContact O-CB 3.5Å; D225-M271 PolarHBondContact O-N 3.26Å
226A96.9Very high96.9Very high0 Ų018.8 Ų18.80%010%0.102CC..EExtended strand (participates in β ladder)trans-154.5159.2-173.300000114.2A89 L90 Y228 R268 I269A89-A226 WeakPolarHBondContact CA-O 3.3Å; L90-A226 PolarHBondContact N-O 3.49Å; A226-Y228 HydrophobicContact CB-CD2 4.49Å; A226-Y228 HydrophobicContact CB-CE2 4.24Å; A226-R268 HydrophobicContact CB-CG 4.03Å; A226-I269 CarbonylContact C-O 3.6Å; A226-I269 WeakPolarHBondContact CA-O 3.28Å; A226-I269 WeakPolarHBondContact CB-O 3.49Å
227V97.4Very high96.9Very high0 Ų021.8 Ų21.80%012%0.121CC..EExtended strand (participates in β ladder)trans-104.9123160.2179.30000108.7L90 I92 M213 I269 M271 V274 W284L90-V227 HydrophobicContact CB-CG2 4.09Å; L90-V227 HydrophobicContact CD1-CG2 4.41Å; L90-V227 CarbonylContact O-C 3.52Å; L90-V227 VanDerWaalsContact O-CA 3.26Å; L90-V227 WeakPolarHBondContact O-CA 3.23Å; I92-V227 HydrophobicContact CD1-CG1 4Å; I92-V227 HydrophobicContact CG1-CG1 3.82Å; I92-V227 HydrophobicContact CG2-CG1 4.3Å; M213-V227 HydrophobicContact CE-CG1 4.47Å; M213-V227 HydrophobicContact CE-CG2 4.13Å; V227-I269 PolarHBondContact N-O 2.72Å; V227-I269 WeakPolarHBondContact O-CA 3.14Å; V227-I269 WeakPolarHBondContact O-CB 3.33Å; V227-I269 PolarHBondContact O-N 3.48Å; V227-M271 HydrophobicContact CG2-CE 3.79Å; V227-M271 HydrophobicContact CG2-SD 4.09Å; V227-V274 HydrophobicContact CB-CG2 4.16Å; V227-V274 HydrophobicContact CG2-CG1 4.45Å; V227-V274 HydrophobicContact CG2-CG2 3.7Å; V227-W284 HydrophobicContact CB-CH2 4.49Å; V227-W284 HydrophobicContact CG1-CH2 4.06Å
228Y97Very high96.7Very high1 Ų125.2 Ų25.20%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-90.9115.2168.9-78.8-91.5000109.9T83 E87 A89 L90 Y91 I92 A226 I266 D267 R268T83-Y228 WeakPolarHBondContact CA-OH 3.41Å; T83-Y228 HydrophobicContact CG2-CE1 4.01Å; E87-Y228 WeakPolarHBondContact OE1-CE2 3.27Å; E87-Y228 PolarHBondContact OE1-OH 3.14Å; A89-Y228 HydrophobicContact CB-CD2 3.68Å; A89-Y228 HydrophobicContact CB-CE2 3.77Å; L90-Y228 PolarHBondContact O-N 3.08Å; Y91-Y228 WeakPolarHBondContact CA-O 3.32Å; Y91-Y228 HydrophobicContact CD1-CG 4.04Å; Y91-Y228 VanDerWaalsContact CE1-CB 3.42Å; Y91-Y228 HydrophobicContact CE1-CD1 4.11Å; Y91-Y228 HydrophobicContact CE1-CD2 4.11Å; Y91-Y228 AromaticContact CE1-CG 3.61Å; Y91-Y228 HydrophobicContact CE1-CG 3.61Å; Y91-Y228 HydrophobicContact CE2-CD2 4.21Å; Y91-Y228 HydrophobicContact CE2-CG 4.5Å; Y91-Y228 AromaticContact CZ-CD2 3.89Å; Y91-Y228 AromaticContact CZ-CG 3.87Å; I92-Y228 PolarHBondContact N-O 3.49Å; A226-Y228 HydrophobicContact CB-CD2 4.49Å; A226-Y228 HydrophobicContact CB-CE2 4.24Å; Y228-I266 HydrophobicContact CD1-CG2 3.54Å; Y228-I266 HydrophobicContact CE1-CG2 4.21Å; Y228-D267 WeakPolarHBondContact CA-O 3.48Å; Y228-R268 HydrophobicContact CD1-CB 4.11Å; Y228-R268 HydrophobicContact CD1-CG 4.43Å; Y228-R268 HydrophobicContact CE1-CB 3.66Å; Y228-R268 HydrophobicContact CE1-CG 3.83Å; Y228-R268 HydrophobicContact CE2-CG 4.11Å; Y228-R268 VanDerWaalsContact OH-CD 3.26Å; Y228-R268 WeakPolarHBondContact OH-CD 3.47Å; Y228-R268 PolarHBondContact OH-NE 2.59Å
229D97.2Very high96.5Very high2 Ų224.7 Ų24.71%0.01115%0.153CC..EExtended strand (participates in β ladder)trans-92.1108.4175.9-168.629.4000110.3I92 D267 I269 R288 K292I92-D229 HydrophobicContact CD1-CB 4.39Å; I92-D229 WeakPolarHBondContact CD1-OD1 3.44Å; I92-D229 HydrophobicContact CG1-CB 4.22Å; I92-D229 WeakPolarHBondContact CG1-OD1 3.42Å; D229-D267 HydrophobicContact CB-CB 4.49Å; D229-D267 PolarHBondContact N-O 3.22Å; D229-D267 PolarHBondContact O-N 2.82Å; D229-I269 HydrophobicContact CB-CD1 4.11Å; D229-R288 IonicContact OD2-CZ 2.64Å; D229-R288 IonicContact OD2-NE 3.5Å; D229-R288 PolarHBondContact OD2-NE 2.93Å; D229-R288 IonicContact OD2-NH2 3.38Å; D229-R288 PolarHBondContact OD2-NH2 3.1Å; D229-K292 WeakPolarHBondContact OD1-CE 3.01Å; D229-K292 IonicContact OD1-NZ 3.65Å; D229-K292 PolarHBondContact OD1-NZ 3.31Å
230V97.6Very high96.1Very high0 Ų032 Ų320%019%0.187CC..EExtended strand (participates in β ladder)trans-108.4135.4-172.9-175.50000110.7Y91 I92 C93 F104 I232 V264 H265 I266 K292Y91-V230 HydrophobicContact CD1-CG2 3.76Å; Y91-V230 HydrophobicContact CE1-CG2 4.41Å; I92-V230 PolarHBondContact O-N 2.58Å; C93-V230 WeakPolarHBondContact CA-O 3.36Å; C93-V230 HydrophobicContact CB-CB 4.33Å; F104-V230 HydrophobicContact CE1-CG2 4.11Å; F104-V230 HydrophobicContact CZ-CB 4.16Å; F104-V230 HydrophobicContact CZ-CG1 4.19Å; F104-V230 HydrophobicContact CZ-CG2 4.17Å; V230-I232 HydrophobicContact CG1-CG1 4.08Å; V230-V264 HydrophobicContact CG1-CG1 3.75Å; V230-H265 CarbonylContact C-O 3.55Å; V230-H265 VanDerWaalsContact CA-O 3.31Å; V230-H265 WeakPolarHBondContact CA-O 3.41Å; V230-I266 HydrophobicContact CG1-CG1 4.41Å; V230-I266 HydrophobicContact CG2-CG1 4.27Å; V230-I266 HydrophobicContact CG2-CG2 4.45Å; V230-K292 WeakPolarHBondContact O-CE 3.46Å; V230-K292 PolarHBondContact O-NZ 3Å
231T97.9Very high95.7Very high0 Ų034.4 Ų34.40%021%0.212CC..EExtended strand (participates in β ladder)trans-120.2119.6170.1-510000109.5N94 V233 V264 H265 K292 I296 F306N94-T231 VanDerWaalsContact OD1-CA 3.3Å; N94-T231 WeakPolarHBondContact OD1-CA 3.28Å; T231-V233 HydrophobicContact CG2-CG2 4.45Å; T231-V264 CarbonylContact O-C 3.56Å; T231-V264 WeakPolarHBondContact O-CA 3.16Å; T231-H265 PolarHBondContact N-O 2.87Å; T231-H265 PolarHBondContact O-N 3.38Å; T231-K292 HydrophobicContact CG2-CB 4.25Å; T231-K292 HydrophobicContact CG2-CG 4.45Å; T231-K292 WeakPolarHBondContact OG1-CG 3.35Å; T231-I296 HydrophobicContact CG2-CD1 4.21Å; T231-I296 HydrophobicContact CG2-CG1 4.11Å; T231-F306 HydrophobicContact CG2-CE2 4.28Å; T231-F306 HydrophobicContact CG2-CZ 4.48Å
232I97.8Very high95.3Very high1 Ų140.1 Ų40.11%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-105.5132.6175.5-59.1173.5000108.9C93 N94 Q96 D100 V103 F104 V230 Y234 I262 H263 V264C93-I232 VanDerWaalsContact SG-CD1 3.56Å; N94-I232 PolarHBondContact ND2-O 3.41Å; N94-I232 PolarHBondContact OD1-N 3.12Å; Q96-I232 PolarHBondContact OE1-O 2.74Å; D100-I232 HydrophobicContact CB-CD1 4.3Å; V103-I232 HydrophobicContact CB-CD1 3.93Å; V103-I232 HydrophobicContact CG1-CD1 3.9Å; V103-I232 HydrophobicContact CG1-CG1 4.31Å; V103-I232 HydrophobicContact CG2-CD1 4.37Å; V103-I232 HydrophobicContact CG2-CG2 4.49Å; F104-I232 HydrophobicContact CE2-CD1 4.22Å; V230-I232 HydrophobicContact CG1-CG1 4.08Å; I232-Y234 HydrophobicContact CG2-CD2 4.16Å; I232-Y234 HydrophobicContact CG2-CE1 4.42Å; I232-Y234 HydrophobicContact CG2-CE2 3.54Å; I232-I262 HydrophobicContact CG2-CG2 3.96Å; I232-H263 CarbonylContact C-O 3.52Å; I232-H263 WeakPolarHBondContact CA-O 3.34Å; I232-V264 HydrophobicContact CG1-CG2 4.4Å
233V97.4Very high95.1Very high1 Ų141.9 Ų41.91%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-131.1131.2170.8-179.20000109.1T231 L245 H263 I296 F299 L305T231-V233 HydrophobicContact CG2-CG2 4.45Å; V233-L245 HydrophobicContact CG1-CD1 4.48Å; V233-L245 HydrophobicContact CG1-CD2 4.07Å; V233-H263 HydrophobicContact CB-CB 4.25Å; V233-H263 PolarHBondContact N-O 2.89Å; V233-H263 PolarHBondContact O-N 3.06Å; V233-I296 HydrophobicContact CG2-CD1 4.37Å; V233-I296 HydrophobicContact CG2-CG1 3.7Å; V233-I296 HydrophobicContact CG2-CG2 4.45Å; V233-F299 HydrophobicContact CG1-CD1 3.74Å; V233-F299 HydrophobicContact CG1-CE1 3.9Å; V233-L305 HydrophobicContact CG2-CD1 3.9Å
234Y97.1Very high94.9Very high1 Ų143.5 Ų43.50%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-98.4126.2175.7-62.2-90.3000109.5S97 F99 D100 V103 I232 L245 A247 P248 I262S97-Y234 VanDerWaalsContact CB-CE2 3.48Å; F99-Y234 HydrophobicContact CD1-CE1 4.05Å; D100-Y234 WeakPolarHBondContact CA-OH 3.05Å; D100-Y234 PolarHBondContact N-OH 3.01Å; D100-Y234 WeakPolarHBondContact OD1-CE2 3.48Å; D100-Y234 VanDerWaalsContact OD1-CZ 3.31Å; D100-Y234 PolarHBondContact OD1-OH 3.04Å; V103-Y234 HydrophobicContact CG2-CE1 4.28Å; V103-Y234 WeakPolarHBondContact CG2-OH 3.37Å; I232-Y234 HydrophobicContact CG2-CD2 4.16Å; I232-Y234 HydrophobicContact CG2-CE1 4.42Å; I232-Y234 HydrophobicContact CG2-CE2 3.54Å; Y234-L245 WeakPolarHBondContact O-CA 3.44Å; Y234-A247 HydrophobicContact CD2-CB 3.75Å; Y234-A247 HydrophobicContact CE2-CB 4.32Å; Y234-A247 HydrophobicContact CG-CB 4.46Å; Y234-P248 HydrophobicContact CD1-CG 4Å; Y234-P248 HydrophobicContact CE1-CG 4.48Å; Y234-P248 HydrophobicContact CG-CG 4.32Å; Y234-I262 HydrophobicContact CD1-CD1 4.26Å; Y234-I262 HydrophobicContact CD1-CG1 3.92Å; Y234-I262 HydrophobicContact CD1-CG2 4.37Å; Y234-I262 HydrophobicContact CE1-CD1 3.93Å; Y234-I262 HydrophobicContact CE1-CG1 4.05Å; Y234-I262 HydrophobicContact CE1-CG2 4.13Å
235E96.3Very high94.7Very high22 Ų2244.4 Ų44.410%0.10324%0.244CC..EExtended strand (participates in β ladder)trans-110.6115.2172177-177.1-178.800109.3R244 L245 Y260 K261 H263E235-R244 WeakPolarHBondContact CA-O 3.42Å; E235-R244 HydrophobicContact CG-CG 3.89Å; E235-R244 IonicContact OE1-CZ 3.35Å; E235-R244 IonicContact OE1-NE 3.7Å; E235-R244 PolarHBondContact OE1-NE 3.03Å; E235-R244 IonicContact OE1-NH2 3.83Å; E235-R244 PolarHBondContact OE1-NH2 3.33Å; E235-R244 IonicContact OE2-NH2 3.34Å; E235-R244 PolarHBondContact OE2-NH2 2.84Å; E235-L245 HydrophobicContact CB-CD2 4.33Å; E235-Y260 WeakPolarHBondContact O-CA 3.43Å; E235-K261 HydrophobicContact CB-CB 4.22Å; E235-K261 PolarHBondContact N-O 2.75Å; E235-K261 PolarHBondContact O-N 3.37Å; E235-H263 IonicContact OE2-CE1 2.67Å; E235-H263 IonicContact OE2-NE2 3.43Å; E235-H263 PolarHBondContact OE2-NE2 2.8Å; E235-H263 VanDerWaalsContact OE2-NE2 3.11Å
236C96.7Very high94.6Very high9 Ų943.7 Ų43.76%0.06124%0.24CC..EExtended strand (participates in β ladder)trans-83.3111.2171.5-171.90000109.9G238 Q239 R244 Y260C236-G238 PolarHBondContact O-N 3.47Å; C236-Q239 HydrophobicContact CB-CB 4.26Å; C236-Q239 HydrophobicContact CB-CG 3.95Å; C236-Q239 PolarHBondContact O-N 3.4Å; C236-Q239 VanDerWaalsContact SG-CG 3.59Å; C236-R244 PolarHBondContact N-O 3.23Å; C236-Y260 HydrophobicContact CB-CD1 4Å; C236-Y260 HydrophobicContact CB-CE1 3.58Å
237V94.6Very high94.6Very high66 Ų6644.3 Ų44.340%0.425%0.245SC..THydrogen-bonded Turntrans-68.8132.7-177.91780000110.1F259 K261V237-F259 HydrophobicContact CB-CD1 3.91Å; V237-F259 HydrophobicContact CG2-CD1 3.57Å; V237-F259 HydrophobicContact CG2-CE1 4.03Å; V237-F259 PolarHBondContact N-O 3.35Å; V237-K261 HydrophobicContact CG2-CD 4.14Å; V237-K261 HydrophobicContact CG2-CG 4.02Å
238G93.2Very high94.5Very high73 Ų7344.5 Ų44.575%0.75325%0.246SC*.THydrogen-bonded Turntrans92.2-7.7-176.300000114.5C236C236-G238 PolarHBondContact O-N 3.47Å
239Q92.5Very high94.4Very high93 Ų9345.4 Ų45.444%0.43526%0.256SS..  trans-93.1155.6170.7-63.1-62.5-39.900111.2C236 K243 R244C236-Q239 HydrophobicContact CB-CB 4.26Å; C236-Q239 HydrophobicContact CB-CG 3.95Å; C236-Q239 PolarHBondContact O-N 3.4Å; C236-Q239 VanDerWaalsContact SG-CG 3.59Å; Q239-K243 HydrophobicContact CB-CB 4.44Å; Q239-R244 HydrophobicContact CB-CB 4.4Å
240Q89Confident94.3Very high168 Ų16847.2 Ų47.279%0.78527%0.265SS*.  trans-124.5163.5-179.5-65.5-173.9-2.200112K243 R244Q240-K243 PolarHBondContact O-N 3.31Å; Q240-R244 PolarHBondContact O-N 3.38Å
241G88.2Confident94.1Very high50 Ų5051.5 Ų51.552%0.51528%0.284SS..G310 helixtrans56.8-14317900000112.4K243 R244G241-K243 VanDerWaalsContact C-N 3.26Å; G241-K243 PolarHBondContact O-N 2.97Å; G241-R244 WeakPolarHBondContact O-CB 3.27Å; G241-R244 PolarHBondContact O-N 2.75Å
242E88.1Confident93.9Very high126 Ų12656.7 Ų56.759%0.58931%0.308SS*.G310 helixtrans-64.7-28.4-179.1-60.6-156.5133.400113.7K204 R244 L245 L246 L300K204-E242 IonicContact NZ-OE1 3.72Å; K204-E242 PolarHBondContact NZ-OE1 2.88Å; E242-R244 PolarHBondContact O-N 3.31Å; E242-L245 PolarHBondContact O-N 2.92Å; E242-L245 VanDerWaalsContact O-N 3.13Å; E242-L246 PolarHBondContact O-N 3.26Å; E242-L300 HydrophobicContact CG-CD2 4.34Å
243K91.6Very high93.8Very high148 Ų14856.9 Ų56.964%0.64331%0.309SS*.G310 helixtrans-64.1-26.8177.8-68.5-177.1174.4177.40112.2Q239 Q240 G241 L245 L246Q239-K243 HydrophobicContact CB-CB 4.44Å; Q240-K243 PolarHBondContact O-N 3.31Å; G241-K243 VanDerWaalsContact C-N 3.26Å; G241-K243 PolarHBondContact O-N 2.97Å; K243-L245 PolarHBondContact O-N 3.47Å; K243-L246 PolarHBondContact O-N 3.32Å
244R92.7Very high93.6Very high66 Ų6657.5 Ų57.525%0.24931%0.313CS..G310 helixtrans-57.8-36.3174.4-175.7178.8169.1-150.1-3.9112.1E235 C236 Q239 Q240 G241 E242E235-R244 WeakPolarHBondContact CA-O 3.42Å; E235-R244 HydrophobicContact CG-CG 3.89Å; E235-R244 IonicContact OE1-CZ 3.35Å; E235-R244 IonicContact OE1-NE 3.7Å; E235-R244 PolarHBondContact OE1-NE 3.03Å; E235-R244 IonicContact OE1-NH2 3.83Å; E235-R244 PolarHBondContact OE1-NH2 3.33Å; E235-R244 IonicContact OE2-NH2 3.34Å; E235-R244 PolarHBondContact OE2-NH2 2.84Å; C236-R244 PolarHBondContact N-O 3.23Å; Q239-R244 HydrophobicContact CB-CB 4.4Å; Q240-R244 PolarHBondContact O-N 3.38Å; G241-R244 WeakPolarHBondContact O-CB 3.27Å; G241-R244 PolarHBondContact O-N 2.75Å; E242-R244 PolarHBondContact O-N 3.31Å
245L93.5Very high93.4Very high23 Ų2358.3 Ų58.312%0.1232%0.319CS..G310 helixtrans-106.717.1-174.8-54.1-172000113.8V233 Y234 E235 E242 K243 A247 F299 L300V233-L245 HydrophobicContact CG1-CD1 4.48Å; V233-L245 HydrophobicContact CG1-CD2 4.07Å; Y234-L245 WeakPolarHBondContact O-CA 3.44Å; E235-L245 HydrophobicContact CB-CD2 4.33Å; E242-L245 PolarHBondContact O-N 2.92Å; E242-L245 VanDerWaalsContact O-N 3.13Å; K243-L245 PolarHBondContact O-N 3.47Å; L245-A247 PolarHBondContact O-N 3.25Å; L245-F299 HydrophobicContact CD1-CD1 3.75Å; L245-F299 HydrophobicContact CD1-CE1 4.43Å; L245-F299 HydrophobicContact CD2-CD1 3.68Å; L245-F299 HydrophobicContact CD2-CE1 3.48Å; L245-F299 VanDerWaalsContact CD2-CE1 3.48Å; L245-F299 HydrophobicContact CG-CD1 4.4Å; L245-L300 HydrophobicContact CD1-CB 3.73Å; L245-L300 HydrophobicContact CD1-CD1 3.74Å; L245-L300 HydrophobicContact CD1-CG 4.3Å; L245-L300 HydrophobicContact CG-CD1 4.07Å
246L94.8Very high93.1Very high68 Ų6859.1 Ų59.136%0.35633%0.333SS..  trans-74.5115.4176.4-168.366.1000109.5H180 P181 E242 K243H180-L246 WeakPolarHBondContact NE2-CD1 3.31Å; P181-L246 HydrophobicContact CG-CD1 3.89Å; E242-L246 PolarHBondContact O-N 3.26Å; K243-L246 PolarHBondContact O-N 3.32Å
247A96.1Very high92.7Very high12 Ų1264.9 Ų64.910%0.09937%0.374CS..PPolyproline II helixtrans-65128.6-178.400000111.4Q96 Y234 L245Q96-A247 HydrophobicContact CB-CB 3.58Å; Y234-A247 HydrophobicContact CD2-CB 3.75Å; Y234-A247 HydrophobicContact CE2-CB 4.32Å; Y234-A247 HydrophobicContact CG-CB 4.46Å; L245-A247 PolarHBondContact O-N 3.25Å
248P96.1Very high92.6Very high4 Ų463.5 Ų63.53%0.02637%0.369CS..PPolyproline II helixtrans-78.4165.7-173.931.6-35.8000112.9S97 Y234 E252 V253 Y260S97-P248 WeakPolarHBondContact CB-O 3.28Å; S97-P248 PolarHBondContact OG-O 2.89Å; Y234-P248 HydrophobicContact CD1-CG 4Å; Y234-P248 HydrophobicContact CE1-CG 4.48Å; Y234-P248 HydrophobicContact CG-CG 4.32Å; P248-E252 WeakPolarHBondContact CA-OE2 3.24Å; P248-E252 HydrophobicContact CB-CB 4.05Å; P248-V253 HydrophobicContact CB-CG2 3.78Å; P248-V253 HydrophobicContact CG-CG2 3.32Å; P248-Y260 HydrophobicContact CB-CE1 3.82Å; P248-Y260 HydrophobicContact CB-CE2 4.21Å; P248-Y260 HydrophobicContact CG-CD1 4.04Å; P248-Y260 HydrophobicContact CG-CE1 3.73Å; P248-Y260 HydrophobicContact CG-CE2 4.42Å
249G95Very high92.7Very high20 Ų2064.1 Ų64.121%0.20635%0.351CS..PPolyproline II helixtrans-74.6165.1161.700000112.9F251 E252 V253G249-F251 PolarHBondContact O-N 2.85Å; G249-E252 PolarHBondContact N-OE2 2.6Å; G249-E252 PolarHBondContact O-N 2.73Å; G249-V253 PolarHBondContact O-N 2.67Å
250L94.5Very high93Very high40 Ų4060.6 Ų60.621%0.20933%0.334CS..Hα-helixtrans-57.9-49.7176.9170.864000111.5F67 S98 F99 E252 V253 V254F67-L250 HydrophobicContact CD1-CD1 4.24Å; F67-L250 HydrophobicContact CE1-CD1 3.66Å; F67-L250 HydrophobicContact CZ-CD1 4.03Å; S98-L250 PolarHBondContact OG-N 2.91Å; F99-L250 HydrophobicContact CD2-CD1 3.51Å; F99-L250 HydrophobicContact CE2-CD1 3.94Å; L250-E252 VanDerWaalsContact C-N 3.31Å; L250-E252 PolarHBondContact O-N 3.31Å; L250-V253 PolarHBondContact O-N 3.34Å; L250-V254 HydrophobicContact CD1-CG2 4.25Å; L250-V254 WeakPolarHBondContact O-CG2 3.46Å; L250-V254 PolarHBondContact O-N 3.18Å
251F93.6Very high93.4Very high91 Ų9155.7 Ų55.740%0.39931%0.31SS..Hα-helixtrans-72.3-24.1179.7-67.3-69.7000113.2P14 L17 A18 G249 V253 C255 G256P14-F251 HydrophobicContact CB-CB 4.39Å; P14-F251 HydrophobicContact CB-CD1 3.58Å; P14-F251 HydrophobicContact CB-CE1 3.91Å; P14-F251 HydrophobicContact CB-CG 3.97Å; P14-F251 HydrophobicContact CG-CB 4.41Å; P14-F251 HydrophobicContact CG-CD1 4.33Å; L17-F251 HydrophobicContact CD2-CD1 4.49Å; L17-F251 HydrophobicContact CD2-CE1 4.42Å; A18-F251 HydrophobicContact CB-CE1 4.49Å; A18-F251 HydrophobicContact CB-CZ 4.32Å; G249-F251 PolarHBondContact O-N 2.85Å; F251-V253 VanDerWaalsContact C-N 3.34Å; F251-C255 WeakPolarHBondContact O-CA 3.25Å; F251-C255 VanDerWaalsContact O-CB 3.27Å; F251-C255 WeakPolarHBondContact O-CB 3.46Å; F251-C255 PolarHBondContact O-N 3.32Å; F251-G256 PolarHBondContact O-N 3.49Å
252E93.7Very high93.8Very high109 Ų10953.3 Ų53.351%0.50929%0.285SS..Hα-helixtrans-66.4-40173.8-69.2173.7-175.900110.9P248 G249 L250 G256P248-E252 WeakPolarHBondContact CA-OE2 3.24Å; P248-E252 HydrophobicContact CB-CB 4.05Å; G249-E252 PolarHBondContact N-OE2 2.6Å; G249-E252 PolarHBondContact O-N 2.73Å; L250-E252 VanDerWaalsContact C-N 3.31Å; L250-E252 PolarHBondContact O-N 3.31Å; E252-G256 WeakPolarHBondContact O-CA 3.31Å; E252-G256 PolarHBondContact O-N 3.08Å; E252-G256 VanDerWaalsContact O-N 3.12Å
253V95.5Very high94.2Very high4 Ų447.6 Ų47.62%0.02426%0.259CS..Hα-helixtrans-67.9-45175.7178.10000111.7S71 V73 F99 P248 G249 L250 F251 Y260S71-V253 WeakPolarHBondContact CB-O 3.33Å; V73-V253 HydrophobicContact CG1-CG1 3.49Å; V73-V253 VanDerWaalsContact CG1-CG1 3.49Å; F99-V253 HydrophobicContact CB-CG2 4.4Å; F99-V253 HydrophobicContact CD1-CG1 4.34Å; F99-V253 HydrophobicContact CD1-CG2 4.28Å; F99-V253 HydrophobicContact CD2-CB 3.99Å; F99-V253 HydrophobicContact CD2-CG1 4.13Å; F99-V253 HydrophobicContact CD2-CG2 4.15Å; F99-V253 HydrophobicContact CE1-CG1 3.88Å; F99-V253 HydrophobicContact CE2-CB 3.98Å; F99-V253 HydrophobicContact CE2-CG1 3.68Å; F99-V253 HydrophobicContact CG-CB 4.35Å; F99-V253 HydrophobicContact CG-CG1 4.44Å; F99-V253 HydrophobicContact CG-CG2 4.03Å; F99-V253 HydrophobicContact CZ-CB 4.29Å; F99-V253 HydrophobicContact CZ-CG1 3.52Å; P248-V253 HydrophobicContact CB-CG2 3.78Å; P248-V253 HydrophobicContact CG-CG2 3.32Å; G249-V253 PolarHBondContact O-N 2.67Å; L250-V253 PolarHBondContact O-N 3.34Å; F251-V253 VanDerWaalsContact C-N 3.34Å; V253-Y260 HydrophobicContact CG2-CD2 4.45Å
254V93.3Very high94.5Very high14 Ų1440.6 Ų40.69%0.08523%0.228CC..Hα-helixtrans-89.7-31.9-167.7-173.10000113.2L17 F66 F67 F99 L250L17-V254 HydrophobicContact CD2-CB 4.01Å; L17-V254 HydrophobicContact CD2-CG1 3.36Å; F66-V254 HydrophobicContact CB-CG1 3.78Å; F67-V254 HydrophobicContact CD1-CG2 3.58Å; F67-V254 HydrophobicContact CE1-CG2 4.03Å; F99-V254 HydrophobicContact CE2-CG2 3.94Å; L250-V254 HydrophobicContact CD1-CG2 4.25Å; L250-V254 WeakPolarHBondContact O-CG2 3.46Å; L250-V254 PolarHBondContact O-N 3.18Å
255C92.4Very high94.7Very high18 Ų1837.5 Ų37.512%0.12222%0.216CC..Hα-helixtrans-112.6-14.5-176.1-60.70000113.1R13 P14 F251R13-C255 HydrophobicContact CB-CB 3.91Å; P14-C255 HydrophobicContact CG-CB 4.12Å; F251-C255 WeakPolarHBondContact O-CA 3.25Å; F251-C255 VanDerWaalsContact O-CB 3.27Å; F251-C255 WeakPolarHBondContact O-CB 3.46Å; F251-C255 PolarHBondContact O-N 3.32Å
256G89.2Confident94.8Very high40 Ų4036.8 Ų36.841%0.41221%0.213SC..SBendtrans-74.5172.3-179.700000113.2F251 E252F251-G256 PolarHBondContact O-N 3.49Å; E252-G256 WeakPolarHBondContact O-CA 3.31Å; E252-G256 PolarHBondContact O-N 3.08Å; E252-G256 VanDerWaalsContact O-N 3.12Å
257S89.4Confident94.8Very high130 Ų13035.3 Ų35.391%0.90921%0.205SC*.SBendtrans-98.9-7177.659.90000113.4
258A93.1Very high94.8Very high36 Ų3638.7 Ų38.730%0.29822%0.215SC..  trans-77.9138.2-17900000110.6Y260A258-Y260 HydrophobicContact CB-CD2 4.39Å; A258-Y260 HydrophobicContact CB-CE2 3.61Å; A258-Y260 WeakPolarHBondContact O-CD2 3.39Å
259F95.4Very high94.8Very high86 Ų8639.3 Ų39.338%0.37722%0.218SC..  trans-94.2129175.5178.5-98.2000110G72 Q74 V237 K261G72-F259 WeakPolarHBondContact O-CE2 3.3Å; Q74-F259 HydrophobicContact CB-CZ 3.96Å; V237-F259 HydrophobicContact CB-CD1 3.91Å; V237-F259 HydrophobicContact CG2-CD1 3.57Å; V237-F259 HydrophobicContact CG2-CE1 4.03Å; V237-F259 PolarHBondContact N-O 3.35Å; F259-K261 HydrophobicContact CE1-CG 4.08Å
260Y97.5Very high94.8Very high20 Ų2039.6 Ų39.68%0.07822%0.217CC..EExtended strand (participates in β ladder)trans-115133.1-177.3-68.4-89.8000112V73 Q74 E235 C236 P248 V253 A258V73-Y260 WeakPolarHBondContact CA-O 3.36Å; Q74-Y260 PolarHBondContact N-O 3.06Å; E235-Y260 WeakPolarHBondContact O-CA 3.43Å; C236-Y260 HydrophobicContact CB-CD1 4Å; C236-Y260 HydrophobicContact CB-CE1 3.58Å; P248-Y260 HydrophobicContact CB-CE1 3.82Å; P248-Y260 HydrophobicContact CB-CE2 4.21Å; P248-Y260 HydrophobicContact CG-CD1 4.04Å; P248-Y260 HydrophobicContact CG-CE1 3.73Å; P248-Y260 HydrophobicContact CG-CE2 4.42Å; V253-Y260 HydrophobicContact CG2-CD2 4.45Å; A258-Y260 HydrophobicContact CB-CD2 4.39Å; A258-Y260 HydrophobicContact CB-CE2 3.61Å; A258-Y260 WeakPolarHBondContact O-CD2 3.39Å
261K97Very high94.9Very high64 Ų6438 Ų3828%0.27821%0.208SC..EExtended strand (participates in β ladder)trans-94.9129.4159.8-64.5177.5177.5179.80108.3Q74 I76 E235 V237 F259Q74-K261 HydrophobicContact CB-CG 4.33Å; Q74-K261 CarbonylContact O-C 3.56Å; Q74-K261 WeakPolarHBondContact O-CA 3.46Å; I76-K261 HydrophobicContact CD1-CB 4.1Å; I76-K261 HydrophobicContact CD1-CD 4.01Å; I76-K261 HydrophobicContact CD1-CG 4.29Å; E235-K261 HydrophobicContact CB-CB 4.22Å; E235-K261 PolarHBondContact N-O 2.75Å; E235-K261 PolarHBondContact O-N 3.37Å; V237-K261 HydrophobicContact CG2-CD 4.14Å; V237-K261 HydrophobicContact CG2-CG 4.02Å; F259-K261 HydrophobicContact CE1-CG 4.08Å
262I97.6Very high95.1Very high0 Ų042.5 Ų42.50%022%0.224CC..EExtended strand (participates in β ladder)trans-109.9107.6-179.6-53.2179.5000107.2V73 Q74 L75 I76 F99 V103 I232 Y234 V264V73-I262 HydrophobicContact CB-CD1 4.01Å; V73-I262 HydrophobicContact CB-CG1 4.44Å; V73-I262 HydrophobicContact CG1-CD1 4.28Å; V73-I262 HydrophobicContact CG2-CD1 3.98Å; Q74-I262 PolarHBondContact O-N 3.18Å; L75-I262 HydrophobicContact CD1-CB 4.07Å; L75-I262 HydrophobicContact CD1-CG2 4.05Å; I76-I262 PolarHBondContact N-O 3.19Å; F99-I262 HydrophobicContact CD1-CD1 4.15Å; F99-I262 HydrophobicContact CE1-CD1 3.81Å; V103-I262 HydrophobicContact CG1-CG2 4.02Å; V103-I262 HydrophobicContact CG2-CD1 4.1Å; V103-I262 HydrophobicContact CG2-CG2 3.87Å; I232-I262 HydrophobicContact CG2-CG2 3.96Å; Y234-I262 HydrophobicContact CD1-CD1 4.26Å; Y234-I262 HydrophobicContact CD1-CG1 3.92Å; Y234-I262 HydrophobicContact CD1-CG2 4.37Å; Y234-I262 HydrophobicContact CE1-CD1 3.93Å; Y234-I262 HydrophobicContact CE1-CG1 4.05Å; Y234-I262 HydrophobicContact CE1-CG2 4.13Å; I262-V264 HydrophobicContact CG2-CG2 4.1Å
263H97.3Very high95.2Very high7 Ų742.1 Ų42.13%0.03223%0.225CC..EExtended strand (participates in β ladder)trans-89.9122.6179.3-62.5-102.7000108.5I76 Y78 I232 V233 E235 F299 L305I76-H263 CarbonylContact O-C 3.59Å; I76-H263 WeakPolarHBondContact O-CA 3.4Å; Y78-H263 HydrophobicContact CE2-CB 3.76Å; Y78-H263 AromaticContact CE2-ND1 3.46Å; Y78-H263 WeakPolarHBondContact CE2-ND1 3.32Å; Y78-H263 AromaticContact CZ-ND1 3.55Å; Y78-H263 PolarHBondContact OH-CE1 3Å; Y78-H263 PolarHBondContact OH-ND1 3.44Å; I232-H263 CarbonylContact C-O 3.52Å; I232-H263 WeakPolarHBondContact CA-O 3.34Å; V233-H263 HydrophobicContact CB-CB 4.25Å; V233-H263 PolarHBondContact N-O 2.89Å; V233-H263 PolarHBondContact O-N 3.06Å; E235-H263 IonicContact OE2-CE1 2.67Å; E235-H263 IonicContact OE2-NE2 3.43Å; E235-H263 PolarHBondContact OE2-NE2 2.8Å; E235-H263 VanDerWaalsContact OE2-NE2 3.11Å; H263-F299 AromaticContact CD2-CZ 3.73Å; H263-F299 AromaticContact CE1-CE2 3.87Å; H263-F299 AromaticContact CE1-CZ 3.56Å; H263-F299 AromaticContact CG-CZ 3.81Å; H263-F299 AromaticContact ND1-CE2 3.74Å; H263-F299 AromaticContact ND1-CZ 3.7Å; H263-F299 AromaticContact NE2-CZ 3.61Å; H263-L305 HydrophobicContact CB-CD2 4.47Å
264V97Very high95.4Very high0 Ų042.1 Ų42.10%023%0.225CC..EExtended strand (participates in β ladder)trans-123.4118.8-179.9-174.70000109.1L75 I76 L77 Y78 V103 L107 V230 T231 I232 I262 I266L75-V264 HydrophobicContact CD1-CG2 3.58Å; I76-V264 PolarHBondContact O-N 3.32Å; L77-V264 CarbonylContact C-O 3.55Å; L77-V264 WeakPolarHBondContact CA-O 3.49Å; L77-V264 HydrophobicContact CD1-CB 4.42Å; L77-V264 HydrophobicContact CD1-CG1 4.43Å; Y78-V264 PolarHBondContact N-O 3.39Å; V103-V264 HydrophobicContact CG1-CG2 3.61Å; L107-V264 HydrophobicContact CD1-CG1 3.87Å; L107-V264 HydrophobicContact CD2-CG1 4.43Å; V230-V264 HydrophobicContact CG1-CG1 3.75Å; T231-V264 CarbonylContact O-C 3.56Å; T231-V264 WeakPolarHBondContact O-CA 3.16Å; I232-V264 HydrophobicContact CG1-CG2 4.4Å; I262-V264 HydrophobicContact CG2-CG2 4.1Å; V264-I266 HydrophobicContact CG1-CD1 4.11Å; V264-I266 HydrophobicContact CG1-CG1 3.79Å
265H96.3Very high95.6Very high1 Ų143 Ų431%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-100.3139.8166.1162.9-96.4000110.3Y78 V230 T231 D267 L305 F306Y78-H265 VanDerWaalsContact O-CA 3.27Å; Y78-H265 WeakPolarHBondContact O-CA 3.14Å; Y78-H265 PolarHBondContact O-CD2 3.37Å; V230-H265 CarbonylContact C-O 3.55Å; V230-H265 VanDerWaalsContact CA-O 3.31Å; V230-H265 WeakPolarHBondContact CA-O 3.41Å; T231-H265 PolarHBondContact N-O 2.87Å; T231-H265 PolarHBondContact O-N 3.38Å; H265-D267 IonicContact CD2-OD1 3.32Å; H265-D267 IonicContact CE1-OD1 3.18Å; H265-D267 PolarHBondContact CE1-OD1 3.37Å; H265-D267 VanDerWaalsContact CE1-OD1 3.27Å; H265-D267 IonicContact CE1-OD2 3.57Å; H265-D267 PolarHBondContact CE1-OD2 2.83Å; H265-D267 VanDerWaalsContact NE2-CG 3.31Å; H265-D267 IonicContact NE2-OD1 3.76Å; H265-D267 PolarHBondContact NE2-OD1 3.48Å; H265-D267 IonicContact NE2-OD2 3.11Å; H265-L305 HydrophobicContact CB-CD2 3.62Å; H265-L305 HydrophobicContact CB-CG 4.41Å; H265-F306 HydrophobicContact CB-CD2 3.61Å; H265-F306 HydrophobicContact CB-CE2 3.52Å; H265-F306 AromaticContact CD2-CD2 3.59Å; H265-F306 AromaticContact CE1-CD2 3.91Å; H265-F306 AromaticContact CE1-CE2 3.77Å; H265-F306 AromaticContact CE1-CZ 3.85Å; H265-F306 AromaticContact CG-CD2 3.24Å; H265-F306 AromaticContact CG-CE2 3.26Å; H265-F306 AromaticContact ND1-CD2 3.5Å; H265-F306 WeakPolarHBondContact ND1-CD2 3.27Å; H265-F306 AromaticContact ND1-CE2 3.08Å; H265-F306 WeakPolarHBondContact ND1-CE2 3.34Å; H265-F306 AromaticContact ND1-CZ 3.44Å; H265-F306 WeakPolarHBondContact ND1-CZ 3.41Å; H265-F306 AromaticContact NE2-CD2 4Å
266I95.5Very high95.7Very high9 Ų947.1 Ų47.15%0.04624%0.244CC..EExtended strand (participates in β ladder)trans-135.6122.7-179.6-54-176.2000109.4L77 Y78 S79 L107 Y228 V230 V264L77-I266 HydrophobicContact CD1-CD1 3.71Å; L77-I266 HydrophobicContact CD1-CG1 3.93Å; Y78-I266 PolarHBondContact O-N 3.31Å; Y78-I266 VanDerWaalsContact O-N 3.11Å; S79-I266 WeakPolarHBondContact CB-O 3.29Å; S79-I266 PolarHBondContact OG-O 3.4Å; L107-I266 HydrophobicContact CD1-CD1 4.19Å; L107-I266 HydrophobicContact CD2-CD1 4.24Å; Y228-I266 HydrophobicContact CD1-CG2 3.54Å; Y228-I266 HydrophobicContact CE1-CG2 4.21Å; V230-I266 HydrophobicContact CG1-CG1 4.41Å; V230-I266 HydrophobicContact CG2-CG1 4.27Å; V230-I266 HydrophobicContact CG2-CG2 4.45Å; V264-I266 HydrophobicContact CG1-CD1 4.11Å; V264-I266 HydrophobicContact CG1-CG1 3.79Å
267D94.8Very high96Very high37 Ų3749.4 Ų49.420%0.19825%0.246CC..EExtended strand (participates in β ladder)trans-111.5130.7164.7-70.7-22.7000110Y228 D229 H265 R288 K308Y228-D267 WeakPolarHBondContact CA-O 3.48Å; D229-D267 HydrophobicContact CB-CB 4.49Å; D229-D267 PolarHBondContact N-O 3.22Å; D229-D267 PolarHBondContact O-N 2.82Å; H265-D267 IonicContact CD2-OD1 3.32Å; H265-D267 IonicContact CE1-OD1 3.18Å; H265-D267 PolarHBondContact CE1-OD1 3.37Å; H265-D267 VanDerWaalsContact CE1-OD1 3.27Å; H265-D267 IonicContact CE1-OD2 3.57Å; H265-D267 PolarHBondContact CE1-OD2 2.83Å; H265-D267 VanDerWaalsContact NE2-CG 3.31Å; H265-D267 IonicContact NE2-OD1 3.76Å; H265-D267 PolarHBondContact NE2-OD1 3.48Å; H265-D267 IonicContact NE2-OD2 3.11Å; D267-R288 IonicContact OD2-CZ 2.74Å; D267-R288 IonicContact OD2-NH2 3.41Å; D267-R288 PolarHBondContact OD2-NH2 3.12Å; D267-K308 IonicContact OD1-NZ 2.7Å; D267-K308 PolarHBondContact OD1-NZ 2.99Å
268R96.1Very high96.3Very high82 Ų8248.3 Ų48.331%0.30923%0.227SC..EExtended strand (participates in β ladder)trans-91124171.6-176.8-178.8-175.2-87.1-3109.9A81 E82 E87 A226 Y228A81-R268 HydrophobicContact CB-CB 3.79Å; E82-R268 WeakPolarHBondContact O-CD 3.41Å; E87-R268 IonicContact OE1-NE 3.57Å; E87-R268 IonicContact OE2-CZ 2.72Å; E87-R268 VanDerWaalsContact OE2-CZ 3.26Å; E87-R268 IonicContact OE2-NE 3.21Å; E87-R268 PolarHBondContact OE2-NE 3.38Å; E87-R268 IonicContact OE2-NH2 2.93Å; E87-R268 PolarHBondContact OE2-NH2 3.1Å; A226-R268 HydrophobicContact CB-CG 4.03Å; Y228-R268 HydrophobicContact CD1-CB 4.11Å; Y228-R268 HydrophobicContact CD1-CG 4.43Å; Y228-R268 HydrophobicContact CE1-CB 3.66Å; Y228-R268 HydrophobicContact CE1-CG 3.83Å; Y228-R268 HydrophobicContact CE2-CG 4.11Å; Y228-R268 VanDerWaalsContact OH-CD 3.26Å; Y228-R268 WeakPolarHBondContact OH-CD 3.47Å; Y228-R268 PolarHBondContact OH-NE 2.59Å
269I96.3Very high96.4Very high17 Ų1754.6 Ų54.69%0.08724%0.243CC..EExtended strand (participates in β ladder)trans-118.7109179.9-54.4171.3000107.8A226 V227 D229 M271 L273 V274 W284A226-I269 CarbonylContact C-O 3.6Å; A226-I269 WeakPolarHBondContact CA-O 3.28Å; A226-I269 WeakPolarHBondContact CB-O 3.49Å; V227-I269 PolarHBondContact N-O 2.72Å; V227-I269 WeakPolarHBondContact O-CA 3.14Å; V227-I269 WeakPolarHBondContact O-CB 3.33Å; V227-I269 PolarHBondContact O-N 3.48Å; D229-I269 HydrophobicContact CB-CD1 4.11Å; I269-M271 PolarHBondContact O-N 2.85Å; I269-L273 HydrophobicContact CG2-CB 4.14Å; I269-V274 HydrophobicContact CG2-CG2 4.06Å; I269-W284 HydrophobicContact CD1-CH2 4.29Å; I269-W284 HydrophobicContact CD1-CZ2 3.61Å; I269-W284 HydrophobicContact CG2-CZ2 4.26Å
270P96.3Very high96.5Very high26 Ų2654.6 Ų54.617%0.16925%0.246CC..EExtended strand (participates in β ladder)trans-51.8139.3175-2732.9000112.3Y272 L273P270-Y272 HydrophobicContact CB-CD1 3.54Å; P270-Y272 HydrophobicContact CB-CE1 3.14Å; P270-Y272 HydrophobicContact CB-CG 4.42Å; P270-Y272 HydrophobicContact CG-CE1 3.93Å; P270-Y272 PolarHBondContact O-N 3.46Å; P270-Y272 VanDerWaalsContact O-N 3.15Å; P270-L273 HydrophobicContact CG-CD1 4.39Å; P270-L273 WeakPolarHBondContact O-CB 3.27Å; P270-L273 PolarHBondContact O-N 2.9Å
271M96.8Very high96.5Very high6 Ų653.6 Ų53.63%0.0324%0.243CC..G310 helixtrans-61.6-29.7-171.7-172.559.774.700113L90 G221 F224 D225 V227 I269 L273 V274L90-M271 HydrophobicContact CD1-CE 3.89Å; L90-M271 HydrophobicContact CG-CE 4.06Å; G221-M271 WeakPolarHBondContact O-CG 3.43Å; F224-M271 HydrophobicContact CB-CE 3.85Å; F224-M271 WeakPolarHBondContact O-CB 3.31Å; F224-M271 WeakPolarHBondContact O-CG 3.14Å; D225-M271 WeakPolarHBondContact O-CB 3.5Å; D225-M271 PolarHBondContact O-N 3.26Å; V227-M271 HydrophobicContact CG2-CE 3.79Å; V227-M271 HydrophobicContact CG2-SD 4.09Å; I269-M271 PolarHBondContact O-N 2.85Å; M271-L273 PolarHBondContact O-N 3.01Å; M271-V274 WeakPolarHBondContact O-CB 3.43Å; M271-V274 PolarHBondContact O-N 3.06Å; M271-V274 HydrophobicContact SD-CB 4.1Å; M271-V274 HydrophobicContact SD-CG2 4.21Å
272Y96.2Very high96.5Very high187 Ų18754.4 Ų54.473%0.73325%0.246SC*.G310 helixtrans-66.7-18.717669.7-96.4000113.7P270P270-Y272 HydrophobicContact CB-CD1 3.54Å; P270-Y272 HydrophobicContact CB-CE1 3.14Å; P270-Y272 HydrophobicContact CB-CG 4.42Å; P270-Y272 HydrophobicContact CG-CE1 3.93Å; P270-Y272 PolarHBondContact O-N 3.46Å; P270-Y272 VanDerWaalsContact O-N 3.15Å
273L97.4Very high96.5Very high101 Ų10162.4 Ų62.453%0.52928%0.276SS..G310 helixtrans-86.7-10.2172.5-63.5-179.3000112.8I269 P270 M271 P275I269-L273 HydrophobicContact CG2-CB 4.14Å; P270-L273 HydrophobicContact CG-CD1 4.39Å; P270-L273 WeakPolarHBondContact O-CB 3.27Å; P270-L273 PolarHBondContact O-N 2.9Å; M271-L273 PolarHBondContact O-N 3.01Å; L273-P275 WeakPolarHBondContact O-CD 3.42Å
274V98.1Very high96.5Very high4 Ų464.4 Ų64.42%0.02428%0.284CS..SBendtrans-85120.2179.8-177.50000108.8M213 V217 V227 I269 M271 R276 L281 W284M213-V274 HydrophobicContact CE-CG1 4.21Å; V217-V274 HydrophobicContact CG2-CG1 4.12Å; V227-V274 HydrophobicContact CB-CG2 4.16Å; V227-V274 HydrophobicContact CG2-CG1 4.45Å; V227-V274 HydrophobicContact CG2-CG2 3.7Å; I269-V274 HydrophobicContact CG2-CG2 4.06Å; M271-V274 WeakPolarHBondContact O-CB 3.43Å; M271-V274 PolarHBondContact O-N 3.06Å; M271-V274 HydrophobicContact SD-CB 4.1Å; M271-V274 HydrophobicContact SD-CG2 4.21Å; V274-R276 PolarHBondContact O-N 2.91Å; V274-L281 HydrophobicContact CG1-CD1 3.82Å; V274-W284 HydrophobicContact CG1-CH2 4.47Å; V274-W284 HydrophobicContact CG1-CZ3 4.48Å; V274-W284 HydrophobicContact CG2-CH2 4.42Å; V274-W284 HydrophobicContact CG2-CZ2 4.15Å
275P97.8Very high96.6Very high33 Ų3364.4 Ų64.421%0.21428%0.284CS..  trans-61.8137.3-176.2-2333.1000112.5L273 L280 L281 W284L273-P275 WeakPolarHBondContact O-CD 3.42Å; P275-L280 HydrophobicContact CB-CB 3.65Å; P275-L280 HydrophobicContact CG-CB 4.26Å; P275-L281 HydrophobicContact CB-CB 4.49Å; P275-L281 WeakPolarHBondContact O-CB 3.46Å; P275-L281 WeakPolarHBondContact O-CD1 3.33Å; P275-W284 HydrophobicContact CG-CB 3.97Å; P275-W284 HydrophobicContact CG-CG 4.14Å
276R94.9Very high96.6Very high103 Ų10365.9 Ų65.939%0.38929%0.289SS..  trans-89.6-28.9174.9-59-53.2-172.197.727.4113.5V217 G221 D222 V274 E278V217-R276 PolarHBondContact O-NH1 3.49Å; G221-R276 VanDerWaalsContact C-CZ 3.46Å; G221-R276 VanDerWaalsContact CA-CZ 3.49Å; G221-R276 VanDerWaalsContact CA-NH1 3.27Å; G221-R276 PolarHBondContact O-NH2 3.48Å; D222-R276 IonicContact OD1-CZ 3.12Å; D222-R276 IonicContact OD1-NH1 2.75Å; D222-R276 PolarHBondContact OD1-NH1 3.23Å; D222-R276 VanDerWaalsContact OD1-NH1 3.07Å; D222-R276 IonicContact OD1-NH2 3.98Å; D222-R276 PolarHBondContact OD1-NH2 2.64Å; V274-R276 PolarHBondContact O-N 2.91Å; R276-E278 PolarHBondContact O-N 2.91Å
277N95.3Very high96.7Very high88 Ų8867.2 Ų67.247%0.47131%0.305SS..SBendtrans-66.1131.3176.5175.4-91000110.9R279 L280 L281N277-R279 VanDerWaalsContact C-N 3.35Å; N277-R279 PolarHBondContact O-N 2.84Å; N277-R279 WeakPolarHBondContact OD1-CB 3.25Å; N277-R279 PolarHBondContact OD1-N 2.83Å; N277-R279 VanDerWaalsContact OD1-N 3.13Å; N277-L280 HydrophobicContact CB-CB 4.29Å; N277-L280 HydrophobicContact CB-CD1 4.19Å; N277-L280 HydrophobicContact CB-CG 4.27Å; N277-L280 PolarHBondContact O-N 2.84Å; N277-L280 VanDerWaalsContact O-N 3.14Å; N277-L280 PolarHBondContact OD1-N 3.15Å; N277-L281 WeakPolarHBondContact O-CB 3.35Å; N277-L281 PolarHBondContact O-N 3.32Å
278E95.3Very high96.9Very high108 Ų10867.7 Ų67.751%0.50530%0.304SS..Hα-helixtrans-50.9-49.5-174.8-165-177.9140.900113.4F210 H214 R276 L281 K282F210-E278 HydrophobicContact CD1-CG 4.45Å; F210-E278 HydrophobicContact CE1-CG 3.21Å; F210-E278 HydrophobicContact CZ-CB 4.26Å; F210-E278 HydrophobicContact CZ-CG 3.27Å; F210-E278 VanDerWaalsContact CZ-O 3.3Å; F210-E278 WeakPolarHBondContact CZ-O 3.32Å; H214-E278 IonicContact CE1-OE2 2.92Å; H214-E278 PolarHBondContact CE1-OE2 3.29Å; H214-E278 IonicContact ND1-OE2 3.62Å; R276-E278 PolarHBondContact O-N 2.91Å; E278-L281 PolarHBondContact O-N 3.02Å; E278-K282 WeakPolarHBondContact O-CB 3.46Å; E278-K282 PolarHBondContact O-N 2.91Å
279R95.4Very high97Very high168 Ų16864 Ų6463%0.63429%0.29SS*.Hα-helixtrans-65.2-43.3-177.7-176.2179.166.9169.70.3111.8N277 R283N277-R279 VanDerWaalsContact C-N 3.35Å; N277-R279 PolarHBondContact O-N 2.84Å; N277-R279 WeakPolarHBondContact OD1-CB 3.25Å; N277-R279 PolarHBondContact OD1-N 2.83Å; N277-R279 VanDerWaalsContact OD1-N 3.13Å; R279-R283 PolarHBondContact O-N 2.81Å
280L97.1Very high97Very high85 Ų8566 Ų6645%0.44531%0.309SS..Hα-helixtrans-69.6-40.5178.9-64.5-179.3000111.5P275 N277 K282 R283 W284P275-L280 HydrophobicContact CB-CB 3.65Å; P275-L280 HydrophobicContact CG-CB 4.26Å; N277-L280 HydrophobicContact CB-CB 4.29Å; N277-L280 HydrophobicContact CB-CD1 4.19Å; N277-L280 HydrophobicContact CB-CG 4.27Å; N277-L280 PolarHBondContact O-N 2.84Å; N277-L280 VanDerWaalsContact O-N 3.14Å; N277-L280 PolarHBondContact OD1-N 3.15Å; L280-K282 VanDerWaalsContact C-N 3.33Å; L280-K282 PolarHBondContact O-N 3.48Å; L280-R283 PolarHBondContact O-N 3.2Å; L280-W284 VanDerWaalsContact O-CB 3.3Å; L280-W284 WeakPolarHBondContact O-CB 3.4Å; L280-W284 PolarHBondContact O-N 3.4Å
281L98Very high97Very high0 Ų067.7 Ų67.70%032%0.32CS..Hα-helixtrans-63-41176.7-178.860.1000111.3F210 M213 H214 V217 V274 P275 N277 E278 W284 L285F210-L281 HydrophobicContact CE2-CB 3.97Å; F210-L281 HydrophobicContact CE2-CD2 3.97Å; F210-L281 HydrophobicContact CE2-CG 3.83Å; F210-L281 HydrophobicContact CZ-CB 4.48Å; F210-L281 HydrophobicContact CZ-CD2 4.34Å; M213-L281 HydrophobicContact CE-CD1 4.15Å; M213-L281 HydrophobicContact CG-CD1 4.16Å; M213-L281 HydrophobicContact CG-CD2 4.33Å; M213-L281 HydrophobicContact CG-CG 4.36Å; H214-L281 HydrophobicContact CB-CD2 4.45Å; V217-L281 HydrophobicContact CB-CD2 3.92Å; V217-L281 HydrophobicContact CG1-CD2 4.17Å; V217-L281 HydrophobicContact CG2-CD1 4.12Å; V217-L281 HydrophobicContact CG2-CD2 3.97Å; V274-L281 HydrophobicContact CG1-CD1 3.82Å; P275-L281 HydrophobicContact CB-CB 4.49Å; P275-L281 WeakPolarHBondContact O-CB 3.46Å; P275-L281 WeakPolarHBondContact O-CD1 3.33Å; N277-L281 WeakPolarHBondContact O-CB 3.35Å; N277-L281 PolarHBondContact O-N 3.32Å; E278-L281 PolarHBondContact O-N 3.02Å; L281-W284 HydrophobicContact CD1-CE3 4.08Å; L281-W284 PolarHBondContact O-N 3.36Å; L281-L285 WeakPolarHBondContact O-CB 3.45Å; L281-L285 PolarHBondContact O-N 3.2Å
282K97.3Very high97.1Very high81 Ų8167.5 Ų67.535%0.35232%0.319SS..Hα-helixtrans-60.7-48.5175.9-172.7177.6179.2-173.60111.5F210 E278 L280 L285 Y286F210-K282 HydrophobicContact CB-CG 4.24Å; F210-K282 HydrophobicContact CD2-CB 3.54Å; F210-K282 HydrophobicContact CD2-CG 3.87Å; F210-K282 HydrophobicContact CE2-CB 3.65Å; F210-K282 HydrophobicContact CE2-CG 4.45Å; F210-K282 HydrophobicContact CG-CB 4.06Å; F210-K282 HydrophobicContact CG-CD 4.3Å; F210-K282 HydrophobicContact CG-CG 3.98Å; F210-K282 HydrophobicContact CZ-CB 4.25Å; E278-K282 WeakPolarHBondContact O-CB 3.46Å; E278-K282 PolarHBondContact O-N 2.91Å; L280-K282 VanDerWaalsContact C-N 3.33Å; L280-K282 PolarHBondContact O-N 3.48Å; K282-L285 PolarHBondContact O-N 2.76Å; K282-Y286 HydrophobicContact CD-CE2 4.32Å; K282-Y286 WeakPolarHBondContact CE-OH 3.15Å; K282-Y286 HydrophobicContact CG-CD2 4.41Å; K282-Y286 HydrophobicContact CG-CE1 4.31Å; K282-Y286 HydrophobicContact CG-CE2 3.89Å; K282-Y286 PolarHBondContact O-N 3.38Å
283R97Very high97.1Very high168 Ų16859 Ų5963%0.63429%0.286SS*.Hα-helixtrans-61.7-44.1176.2-74.8-179.7172.9-175.7-3.8111.9R279 L280 Y286 G287R279-R283 PolarHBondContact O-N 2.81Å; L280-R283 PolarHBondContact O-N 3.2Å; R283-Y286 PolarHBondContact O-N 3.15Å; R283-G287 PolarHBondContact O-N 3.43Å
284W98Very high97Very high48 Ų4857.2 Ų57.218%0.18228%0.281CS..Hα-helixtrans-58.9-47.9176.7177.693.3000111.4I92 M213 V227 I269 V274 P275 L280 L281 Y286 G287 R288I92-W284 HydrophobicContact CD1-CH2 3.85Å; I92-W284 HydrophobicContact CD1-CZ3 3.89Å; M213-W284 HydrophobicContact CE-CE3 4.5Å; M213-W284 HydrophobicContact CE-CH2 4.22Å; M213-W284 HydrophobicContact CE-CZ3 3.64Å; V227-W284 HydrophobicContact CB-CH2 4.49Å; V227-W284 HydrophobicContact CG1-CH2 4.06Å; I269-W284 HydrophobicContact CD1-CH2 4.29Å; I269-W284 HydrophobicContact CD1-CZ2 3.61Å; I269-W284 HydrophobicContact CG2-CZ2 4.26Å; V274-W284 HydrophobicContact CG1-CH2 4.47Å; V274-W284 HydrophobicContact CG1-CZ3 4.48Å; V274-W284 HydrophobicContact CG2-CH2 4.42Å; V274-W284 HydrophobicContact CG2-CZ2 4.15Å; P275-W284 HydrophobicContact CG-CB 3.97Å; P275-W284 HydrophobicContact CG-CG 4.14Å; L280-W284 VanDerWaalsContact O-CB 3.3Å; L280-W284 WeakPolarHBondContact O-CB 3.4Å; L280-W284 PolarHBondContact O-N 3.4Å; L281-W284 HydrophobicContact CD1-CE3 4.08Å; L281-W284 PolarHBondContact O-N 3.36Å; W284-Y286 VanDerWaalsContact C-N 3.34Å; W284-Y286 PolarHBondContact O-N 3.2Å; W284-G287 PolarHBondContact O-N 3.03Å; W284-R288 HydrophobicContact CD2-CG 4.09Å; W284-R288 HydrophobicContact CE3-CG 4.19Å; W284-R288 HydrophobicContact CH2-CG 4Å; W284-R288 HydrophobicContact CZ2-CG 3.92Å; W284-R288 HydrophobicContact CZ3-CG 4.13Å; W284-R288 WeakPolarHBondContact O-CG 3.38Å; W284-R288 PolarHBondContact O-N 3.13Å
285L98.2Very high96.8Very high0 Ų057.2 Ų57.20%028%0.281CS..Hα-helixtrans-62.3-41178.8-178.364.4000111.8I92 P174 P208 M213 L281 K282 R288 F289I92-L285 HydrophobicContact CD1-CD1 4.18Å; P174-L285 HydrophobicContact CB-CD1 4.36Å; P174-L285 HydrophobicContact CB-CD2 4.46Å; P174-L285 HydrophobicContact CG-CD1 4.23Å; P208-L285 HydrophobicContact CB-CD1 4.44Å; P208-L285 HydrophobicContact CB-CD2 3.96Å; P208-L285 HydrophobicContact CB-CG 3.99Å; P208-L285 HydrophobicContact CG-CD1 4.49Å; P208-L285 HydrophobicContact CG-CD2 4.08Å; P208-L285 HydrophobicContact CG-CG 3.75Å; M213-L285 HydrophobicContact CB-CD2 3.85Å; M213-L285 HydrophobicContact CG-CD1 4.42Å; M213-L285 HydrophobicContact CG-CD2 4.19Å; L281-L285 WeakPolarHBondContact O-CB 3.45Å; L281-L285 PolarHBondContact O-N 3.2Å; K282-L285 PolarHBondContact O-N 2.76Å; L285-R288 PolarHBondContact O-N 2.95Å; L285-F289 HydrophobicContact CD1-CD2 4.03Å; L285-F289 HydrophobicContact CD1-CE2 3.94Å; L285-F289 HydrophobicContact CG-CD2 4.49Å; L285-F289 WeakPolarHBondContact O-CD2 3.26Å; L285-F289 PolarHBondContact O-N 2.83Å; L285-F289 VanDerWaalsContact O-N 3.1Å
286Y98Very high96.7Very high32 Ų3255.9 Ų55.913%0.12527%0.272CS..Hα-helixtrans-64.4-43175.1-69.1-4.8000111.8A197 V199 L207 P208 K282 R283 W284 R288 F289 A290A197-Y286 HydrophobicContact CB-CE2 3.81Å; V199-Y286 HydrophobicContact CG1-CD2 4.02Å; V199-Y286 HydrophobicContact CG2-CD2 4.26Å; L207-Y286 HydrophobicContact CD1-CD1 4Å; L207-Y286 HydrophobicContact CD1-CD2 4.4Å; L207-Y286 HydrophobicContact CD1-CE1 4.01Å; L207-Y286 HydrophobicContact CD1-CE2 4.43Å; L207-Y286 HydrophobicContact CD1-CG 4.19Å; L207-Y286 HydrophobicContact CD2-CE1 4.3Å; L207-Y286 HydrophobicContact CD2-CE2 4.48Å; L207-Y286 HydrophobicContact CG-CD1 4.39Å; L207-Y286 HydrophobicContact CG-CE1 3.94Å; P208-Y286 HydrophobicContact CG-CD1 3.62Å; P208-Y286 HydrophobicContact CG-CE1 3.9Å; P208-Y286 WeakPolarHBondContact O-CE1 3.16Å; K282-Y286 HydrophobicContact CD-CE2 4.32Å; K282-Y286 WeakPolarHBondContact CE-OH 3.15Å; K282-Y286 HydrophobicContact CG-CD2 4.41Å; K282-Y286 HydrophobicContact CG-CE1 4.31Å; K282-Y286 HydrophobicContact CG-CE2 3.89Å; K282-Y286 PolarHBondContact O-N 3.38Å; R283-Y286 PolarHBondContact O-N 3.15Å; W284-Y286 VanDerWaalsContact C-N 3.34Å; W284-Y286 PolarHBondContact O-N 3.2Å; Y286-R288 PolarHBondContact O-N 3.4Å; Y286-F289 PolarHBondContact O-N 2.75Å; Y286-A290 WeakPolarHBondContact O-CB 3.49Å; Y286-A290 PolarHBondContact O-N 3.34Å
287G97.6Very high96.7Very high37 Ų3753.7 Ų53.738%0.38127%0.267SS..Hα-helixtrans-58.4-46.5174.100000112.2R283 W284 F289 A290 T291R283-G287 PolarHBondContact O-N 3.43Å; W284-G287 PolarHBondContact O-N 3.03Å; G287-F289 VanDerWaalsContact C-N 3.35Å; G287-F289 PolarHBondContact O-N 3.2Å; G287-A290 PolarHBondContact O-N 3.01Å; G287-T291 PolarHBondContact O-N 2.91Å; G287-T291 PolarHBondContact O-OG1 3.2Å
288R97.7Very high96.5Very high47 Ų4753 Ų5318%0.17726%0.263CS..Hα-helixtrans-57.1-47.9175.8-64.7-47.1-59-176.1-1.8111.4D229 D267 W284 L285 Y286 A290 T291 K292D229-R288 IonicContact OD2-CZ 2.64Å; D229-R288 IonicContact OD2-NE 3.5Å; D229-R288 PolarHBondContact OD2-NE 2.93Å; D229-R288 IonicContact OD2-NH2 3.38Å; D229-R288 PolarHBondContact OD2-NH2 3.1Å; D267-R288 IonicContact OD2-CZ 2.74Å; D267-R288 IonicContact OD2-NH2 3.41Å; D267-R288 PolarHBondContact OD2-NH2 3.12Å; W284-R288 HydrophobicContact CD2-CG 4.09Å; W284-R288 HydrophobicContact CE3-CG 4.19Å; W284-R288 HydrophobicContact CH2-CG 4Å; W284-R288 HydrophobicContact CZ2-CG 3.92Å; W284-R288 HydrophobicContact CZ3-CG 4.13Å; W284-R288 WeakPolarHBondContact O-CG 3.38Å; W284-R288 PolarHBondContact O-N 3.13Å; L285-R288 PolarHBondContact O-N 2.95Å; Y286-R288 PolarHBondContact O-N 3.4Å; R288-A290 PolarHBondContact O-N 3.47Å; R288-T291 WeakPolarHBondContact O-CB 3.44Å; R288-T291 PolarHBondContact O-N 3.5Å; R288-K292 WeakPolarHBondContact O-CG 3.45Å; R288-K292 PolarHBondContact O-N 2.84Å; R288-K292 VanDerWaalsContact O-N 3.09Å
289F98Very high96.4Very high4 Ų448 Ų482%0.01824%0.239CC..Hα-helixtrans-67.7-33.3179.3-90.2-100.7000113.9N94 P174 E175 P208 L285 Y286 G287 T291 K292 D293N94-F289 HydrophobicContact CB-CE1 4.47Å; P174-F289 HydrophobicContact CB-CE2 3.94Å; P174-F289 HydrophobicContact CB-CZ 3.92Å; P174-F289 HydrophobicContact CG-CE2 3.81Å; P174-F289 HydrophobicContact CG-CZ 3.88Å; E175-F289 HydrophobicContact CG-CD1 4.19Å; E175-F289 HydrophobicContact CG-CE1 3.46Å; E175-F289 VanDerWaalsContact CG-CE1 3.46Å; E175-F289 HydrophobicContact CG-CZ 4.23Å; P208-F289 HydrophobicContact CB-CD1 4.26Å; P208-F289 HydrophobicContact CB-CD2 3.82Å; P208-F289 HydrophobicContact CB-CE1 4.35Å; P208-F289 HydrophobicContact CB-CE2 3.9Å; P208-F289 HydrophobicContact CB-CG 4.01Å; P208-F289 HydrophobicContact CB-CZ 4.17Å; P208-F289 HydrophobicContact CG-CB 3.97Å; P208-F289 HydrophobicContact CG-CD1 4.26Å; P208-F289 HydrophobicContact CG-CD2 3.64Å; P208-F289 HydrophobicContact CG-CE2 4.24Å; P208-F289 HydrophobicContact CG-CG 3.65Å; L285-F289 HydrophobicContact CD1-CD2 4.03Å; L285-F289 HydrophobicContact CD1-CE2 3.94Å; L285-F289 HydrophobicContact CG-CD2 4.49Å; L285-F289 WeakPolarHBondContact O-CD2 3.26Å; L285-F289 PolarHBondContact O-N 2.83Å; L285-F289 VanDerWaalsContact O-N 3.1Å; Y286-F289 PolarHBondContact O-N 2.75Å; G287-F289 VanDerWaalsContact C-N 3.35Å; G287-F289 PolarHBondContact O-N 3.2Å; F289-T291 VanDerWaalsContact C-N 3.33Å; F289-K292 PolarHBondContact O-N 3.35Å; F289-D293 WeakPolarHBondContact O-CB 3.5Å; F289-D293 PolarHBondContact O-N 3.38Å
290A97.2Very high96.1Very high59 Ų5942.4 Ų42.449%0.48822%0.222SC..Hα-helixtrans-62.6-41.4171.700000111.4Y286 G287 R288 K292 D293 C294Y286-A290 WeakPolarHBondContact O-CB 3.49Å; Y286-A290 PolarHBondContact O-N 3.34Å; G287-A290 PolarHBondContact O-N 3.01Å; R288-A290 PolarHBondContact O-N 3.47Å; A290-K292 PolarHBondContact O-N 3.18Å; A290-D293 PolarHBondContact O-N 2.66Å; A290-C294 WeakPolarHBondContact O-CB 3.36Å; A290-C294 PolarHBondContact O-N 3.29Å
291T96.4Very high95.6Very high63 Ų6341.9 Ų41.939%0.38723%0.23SC..Hα-helixtrans-61.8-41.8174.4-49.20000111.5G287 R288 F289 A295 F306G287-T291 PolarHBondContact O-N 2.91Å; G287-T291 PolarHBondContact O-OG1 3.2Å; R288-T291 WeakPolarHBondContact O-CB 3.44Å; R288-T291 PolarHBondContact O-N 3.5Å; F289-T291 VanDerWaalsContact C-N 3.33Å; T291-A295 WeakPolarHBondContact O-CB 3.24Å; T291-A295 PolarHBondContact O-N 2.87Å; T291-F306 HydrophobicContact CG2-CD1 4.26Å; T291-F306 HydrophobicContact CG2-CE1 3.65Å
292K97.4Very high95.1Very high1 Ų147.5 Ų47.50%0.00426%0.26CS..Hα-helixtrans-61-48.4174-57.5-170.5-173.9-171.30111.8I92 N94 T205 D229 V230 T231 R288 F289 A290 C294 A295 I296I92-K292 PolarHBondContact O-NZ 3.09Å; I92-K292 VanDerWaalsContact O-NZ 3.08Å; N94-K292 HydrophobicContact CB-CD 4.2Å; T205-K292 HydrophobicContact CG2-CB 4.48Å; D229-K292 WeakPolarHBondContact OD1-CE 3.01Å; D229-K292 IonicContact OD1-NZ 3.65Å; D229-K292 PolarHBondContact OD1-NZ 3.31Å; V230-K292 WeakPolarHBondContact O-CE 3.46Å; V230-K292 PolarHBondContact O-NZ 3Å; T231-K292 HydrophobicContact CG2-CB 4.25Å; T231-K292 HydrophobicContact CG2-CG 4.45Å; T231-K292 WeakPolarHBondContact OG1-CG 3.35Å; R288-K292 WeakPolarHBondContact O-CG 3.45Å; R288-K292 PolarHBondContact O-N 2.84Å; R288-K292 VanDerWaalsContact O-N 3.09Å; F289-K292 PolarHBondContact O-N 3.35Å; A290-K292 PolarHBondContact O-N 3.18Å; K292-C294 VanDerWaalsContact C-N 3.34Å; K292-C294 PolarHBondContact O-N 3.47Å; K292-A295 PolarHBondContact O-N 3.44Å; K292-I296 VanDerWaalsContact O-CG1 3.27Å; K292-I296 WeakPolarHBondContact O-CG1 3.16Å; K292-I296 PolarHBondContact O-N 3.22Å
293D96.9Very high94.4Very high10 Ų1045 Ų455%0.05326%0.257CS..Hα-helixtrans-57.8-48.1-178.7-160.577.8000111.3P202 Q203 K204 T205 F289 A290 A295 I296 Q297P202-D293 HydrophobicContact CB-CB 4.4Å; P202-D293 WeakPolarHBondContact CB-OD1 3.38Å; Q203-D293 PolarHBondContact N-OD1 3.43Å; Q203-D293 VanDerWaalsContact N-OD1 3.1Å; Q203-D293 PolarHBondContact N-OD2 3.3Å; K204-D293 WeakPolarHBondContact CA-OD1 3.34Å; K204-D293 PolarHBondContact N-OD1 2.85Å; T205-D293 HydrophobicContact CG2-CB 4.39Å; T205-D293 PolarHBondContact N-OD1 3.46Å; T205-D293 PolarHBondContact OG1-OD1 3.44Å; F289-D293 WeakPolarHBondContact O-CB 3.5Å; F289-D293 PolarHBondContact O-N 3.38Å; A290-D293 PolarHBondContact O-N 2.66Å; D293-A295 PolarHBondContact O-N 2.8Å; D293-I296 PolarHBondContact O-N 3.36Å; D293-Q297 WeakPolarHBondContact O-CG 3.48Å; D293-Q297 PolarHBondContact O-N 3.17Å; D293-Q297 PolarHBondContact OD2-NE2 2.96Å
294C95.4Very high93.6Very high63 Ų6340.2 Ų40.243%0.42625%0.247SC..Hα-helixtrans-60.5-44.3175.6-177.10000112A290 K292 I296 Q297 N298A290-C294 WeakPolarHBondContact O-CB 3.36Å; A290-C294 PolarHBondContact O-N 3.29Å; K292-C294 VanDerWaalsContact C-N 3.34Å; K292-C294 PolarHBondContact O-N 3.47Å; C294-I296 PolarHBondContact O-N 2.86Å; C294-Q297 PolarHBondContact O-N 2.88Å; C294-N298 WeakPolarHBondContact O-CB 3.35Å; C294-N298 VanDerWaalsContact O-CG 3.25Å; C294-N298 PolarHBondContact O-N 3.32Å; C294-N298 PolarHBondContact O-ND2 3.25Å
295A95Very high92.8Very high3 Ų337.9 Ų37.93%0.02524%0.238CC..Hα-helixtrans-63.2-39.2178.500000112.9T291 K292 D293 N298 F299 L305 F306T291-A295 WeakPolarHBondContact O-CB 3.24Å; T291-A295 PolarHBondContact O-N 2.87Å; K292-A295 PolarHBondContact O-N 3.44Å; D293-A295 PolarHBondContact O-N 2.8Å; A295-N298 PolarHBondContact O-N 3.37Å; A295-F299 WeakPolarHBondContact O-CB 3.49Å; A295-F299 PolarHBondContact O-N 3.13Å; A295-L305 HydrophobicContact CB-CD1 4.14Å; A295-F306 HydrophobicContact CB-CD1 3.71Å; A295-F306 HydrophobicContact CB-CD2 3.82Å; A295-F306 HydrophobicContact CB-CE1 3.41Å; A295-F306 VanDerWaalsContact CB-CE1 3.41Å; A295-F306 HydrophobicContact CB-CE2 3.46Å; A295-F306 VanDerWaalsContact CB-CE2 3.46Å; A295-F306 HydrophobicContact CB-CG 3.9Å; A295-F306 HydrophobicContact CB-CZ 3.26Å
296I95.4Very high92Very high5 Ų540.6 Ų40.63%0.02625%0.25CC..Hα-helixtrans-67.4-40.1176.6-61.7169.7000110.7K204 T205 T231 V233 K292 D293 C294 F299 L300K204-I296 HydrophobicContact CB-CB 4.03Å; K204-I296 HydrophobicContact CB-CG2 3.66Å; K204-I296 HydrophobicContact CG-CG2 4.07Å; T205-I296 HydrophobicContact CG2-CD1 3.78Å; T231-I296 HydrophobicContact CG2-CD1 4.21Å; T231-I296 HydrophobicContact CG2-CG1 4.11Å; V233-I296 HydrophobicContact CG2-CD1 4.37Å; V233-I296 HydrophobicContact CG2-CG1 3.7Å; V233-I296 HydrophobicContact CG2-CG2 4.45Å; K292-I296 VanDerWaalsContact O-CG1 3.27Å; K292-I296 WeakPolarHBondContact O-CG1 3.16Å; K292-I296 PolarHBondContact O-N 3.22Å; D293-I296 PolarHBondContact O-N 3.36Å; C294-I296 PolarHBondContact O-N 2.86Å; I296-F299 PolarHBondContact O-N 3.28Å; I296-L300 PolarHBondContact O-N 2.8Å; I296-L300 VanDerWaalsContact O-N 3.1Å
297Q93.6Very high91.1Very high58 Ų5842.2 Ų42.227%0.27128%0.276SS..Hα-helixtrans-62.4-45.1173.7-69.5179.661.900111.7K204 D293 C294 F299 L300 A301K204-Q297 HydrophobicContact CG-CG 3.61Å; D293-Q297 WeakPolarHBondContact O-CG 3.48Å; D293-Q297 PolarHBondContact O-N 3.17Å; D293-Q297 PolarHBondContact OD2-NE2 2.96Å; C294-Q297 PolarHBondContact O-N 2.88Å; Q297-F299 VanDerWaalsContact C-N 3.31Å; Q297-F299 PolarHBondContact O-N 3.36Å; Q297-L300 WeakPolarHBondContact O-CB 3.32Å; Q297-L300 PolarHBondContact O-N 3.3Å; Q297-L300 VanDerWaalsContact O-N 3.16Å; Q297-A301 PolarHBondContact O-N 2.91Å; Q297-A301 VanDerWaalsContact O-N 3.14Å
298N92.2Very high90.5Very high74 Ų7443.4 Ų43.440%0.39627%0.271SS..Hα-helixtrans-64.3-35.1176.4-70.4-20.8000112.2C294 A295 L300 A301 N302C294-N298 WeakPolarHBondContact O-CB 3.35Å; C294-N298 VanDerWaalsContact O-CG 3.25Å; C294-N298 PolarHBondContact O-N 3.32Å; C294-N298 PolarHBondContact O-ND2 3.25Å; A295-N298 PolarHBondContact O-N 3.37Å; N298-L300 VanDerWaalsContact C-N 3.33Å; N298-A301 PolarHBondContact O-N 2.82Å; N298-N302 WeakPolarHBondContact O-CB 3.37Å; N298-N302 PolarHBondContact O-N 3.25Å
299F92.8Very high90Very high1 Ų152.4 Ų52.40%0.00431%0.305CS..Hα-helixtrans-64.1-38.9174.2-172.3-103.6000111.7V233 L245 H263 A295 I296 Q297 A301 G303 L305V233-F299 HydrophobicContact CG1-CD1 3.74Å; V233-F299 HydrophobicContact CG1-CE1 3.9Å; L245-F299 HydrophobicContact CD1-CD1 3.75Å; L245-F299 HydrophobicContact CD1-CE1 4.43Å; L245-F299 HydrophobicContact CD2-CD1 3.68Å; L245-F299 HydrophobicContact CD2-CE1 3.48Å; L245-F299 VanDerWaalsContact CD2-CE1 3.48Å; L245-F299 HydrophobicContact CG-CD1 4.4Å; H263-F299 AromaticContact CD2-CZ 3.73Å; H263-F299 AromaticContact CE1-CE2 3.87Å; H263-F299 AromaticContact CE1-CZ 3.56Å; H263-F299 AromaticContact CG-CZ 3.81Å; H263-F299 AromaticContact ND1-CE2 3.74Å; H263-F299 AromaticContact ND1-CZ 3.7Å; H263-F299 AromaticContact NE2-CZ 3.61Å; A295-F299 WeakPolarHBondContact O-CB 3.49Å; A295-F299 PolarHBondContact O-N 3.13Å; I296-F299 PolarHBondContact O-N 3.28Å; Q297-F299 VanDerWaalsContact C-N 3.31Å; Q297-F299 PolarHBondContact O-N 3.36Å; F299-A301 VanDerWaalsContact C-N 3.33Å; F299-A301 PolarHBondContact O-N 2.89Å; F299-G303 VanDerWaalsContact CE2-O 3.23Å; F299-G303 WeakPolarHBondContact CE2-O 3.4Å; F299-G303 VanDerWaalsContact O-CA 3.27Å; F299-G303 WeakPolarHBondContact O-CA 3.02Å; F299-G303 PolarHBondContact O-N 3.14Å; F299-L305 HydrophobicContact CB-CD1 3.94Å; F299-L305 HydrophobicContact CD2-CB 4.14Å; F299-L305 HydrophobicContact CD2-CD1 4.46Å; F299-L305 HydrophobicContact CG-CD1 4.32Å
300L88.4Confident89.7Confident51 Ų5155.1 Ų55.127%0.26732%0.324SS..Hα-helixtrans-63-39.2174.7-176.163000112.2E242 L245 I296 Q297 N298E242-L300 HydrophobicContact CG-CD2 4.34Å; L245-L300 HydrophobicContact CD1-CB 3.73Å; L245-L300 HydrophobicContact CD1-CD1 3.74Å; L245-L300 HydrophobicContact CD1-CG 4.3Å; L245-L300 HydrophobicContact CG-CD1 4.07Å; I296-L300 PolarHBondContact O-N 2.8Å; I296-L300 VanDerWaalsContact O-N 3.1Å; Q297-L300 WeakPolarHBondContact O-CB 3.32Å; Q297-L300 PolarHBondContact O-N 3.3Å; Q297-L300 VanDerWaalsContact O-N 3.16Å; N298-L300 VanDerWaalsContact C-N 3.33Å
301A87.5Confident89.5Confident74 Ų7457.1 Ų57.161%0.61233%0.33SS*.Hα-helixtrans-78.7-46-178.800000113.1Q297 N298 F299Q297-A301 PolarHBondContact O-N 2.91Å; Q297-A301 VanDerWaalsContact O-N 3.14Å; N298-A301 PolarHBondContact O-N 2.82Å; F299-A301 VanDerWaalsContact C-N 3.33Å; F299-A301 PolarHBondContact O-N 2.89Å
302N86.3Confident89.4Confident119 Ų11957.8 Ų57.864%0.63633%0.334SS*.Hα-helixtrans-121-6.8-163.3-56.8-8.2000113.7N298 T304N298-N302 WeakPolarHBondContact O-CB 3.37Å; N298-N302 PolarHBondContact O-N 3.25Å; N302-T304 VanDerWaalsContact C-N 3.28Å; N302-T304 PolarHBondContact O-N 2.88Å
303G83.3Confident89.4Confident28 Ų2858.8 Ų58.829%0.28934%0.341SS..SBendtrans73.78.6179.400000115.8F299F299-G303 VanDerWaalsContact CE2-O 3.23Å; F299-G303 WeakPolarHBondContact CE2-O 3.4Å; F299-G303 VanDerWaalsContact O-CA 3.27Å; F299-G303 WeakPolarHBondContact O-CA 3.02Å; F299-G303 PolarHBondContact O-N 3.14Å
304T80.1Confident89.3Confident67 Ų6767 Ų6741%0.41138%0.376SS..  trans-121.3130.5179.261.60000111.5N302N302-T304 VanDerWaalsContact C-N 3.28Å; N302-T304 PolarHBondContact O-N 2.88Å
305L80.9Confident89.3Confident0 Ų068.7 Ų68.70%039%0.386CS..SBendtrans-91123177.7-158.670.6000109.2Y78 V233 H263 H265 A295 F299 G307 K308Y78-L305 HydrophobicContact CD1-CB 4.13Å; Y78-L305 HydrophobicContact CD2-CB 4.39Å; Y78-L305 HydrophobicContact CD2-CD2 4.25Å; Y78-L305 HydrophobicContact CE1-CB 4Å; Y78-L305 HydrophobicContact CE2-CB 4.31Å; Y78-L305 HydrophobicContact CG-CB 4.34Å; V233-L305 HydrophobicContact CG2-CD1 3.9Å; H263-L305 HydrophobicContact CB-CD2 4.47Å; H265-L305 HydrophobicContact CB-CD2 3.62Å; H265-L305 HydrophobicContact CB-CG 4.41Å; A295-L305 HydrophobicContact CB-CD1 4.14Å; F299-L305 HydrophobicContact CB-CD1 3.94Å; F299-L305 HydrophobicContact CD2-CB 4.14Å; F299-L305 HydrophobicContact CD2-CD1 4.46Å; F299-L305 HydrophobicContact CG-CD1 4.32Å; L305-G307 PolarHBondContact O-N 3.24Å; L305-K308 PolarHBondContact O-N 3.45Å
306F82.6Confident89.3Confident56 Ų5669 Ų6925%0.24639%0.388CS..THydrogen-bonded Turntrans54.912.6-177.1-59-88.1000116.4T231 H265 T291 A295 K308T231-F306 HydrophobicContact CG2-CE2 4.28Å; T231-F306 HydrophobicContact CG2-CZ 4.48Å; H265-F306 HydrophobicContact CB-CD2 3.61Å; H265-F306 HydrophobicContact CB-CE2 3.52Å; H265-F306 AromaticContact CD2-CD2 3.59Å; H265-F306 AromaticContact CE1-CD2 3.91Å; H265-F306 AromaticContact CE1-CE2 3.77Å; H265-F306 AromaticContact CE1-CZ 3.85Å; H265-F306 AromaticContact CG-CD2 3.24Å; H265-F306 AromaticContact CG-CE2 3.26Å; H265-F306 AromaticContact ND1-CD2 3.5Å; H265-F306 WeakPolarHBondContact ND1-CD2 3.27Å; H265-F306 AromaticContact ND1-CE2 3.08Å; H265-F306 WeakPolarHBondContact ND1-CE2 3.34Å; H265-F306 AromaticContact ND1-CZ 3.44Å; H265-F306 WeakPolarHBondContact ND1-CZ 3.41Å; H265-F306 AromaticContact NE2-CD2 4Å; T291-F306 HydrophobicContact CG2-CD1 4.26Å; T291-F306 HydrophobicContact CG2-CE1 3.65Å; A295-F306 HydrophobicContact CB-CD1 3.71Å; A295-F306 HydrophobicContact CB-CD2 3.82Å; A295-F306 HydrophobicContact CB-CE1 3.41Å; A295-F306 VanDerWaalsContact CB-CE1 3.41Å; A295-F306 HydrophobicContact CB-CE2 3.46Å; A295-F306 VanDerWaalsContact CB-CE2 3.46Å; A295-F306 HydrophobicContact CB-CG 3.9Å; A295-F306 HydrophobicContact CB-CZ 3.26Å; F306-K308 HydrophobicContact CB-CG 4.14Å; F306-K308 PolarHBondContact O-N 3Å; F306-K308 VanDerWaalsContact O-N 3.14Å
307G79.3Confident89.4Confident66 Ų6673.8 Ų73.868%0.6841%0.412SS*.THydrogen-bonded Turntrans63.113.8-173.700000114.1L305L305-G307 PolarHBondContact O-N 3.24Å
308K83.3Confident89.5Confident62 Ų6275.6 Ų75.627%0.2742%0.424SS..  trans-85.6153.8-179.4-69.6-162.9177.1-160.70111.4Y78 D80 D267 L305 F306Y78-K308 HydrophobicContact CD1-CB 4.38Å; D80-K308 WeakPolarHBondContact OD2-CE 3.45Å; D80-K308 IonicContact OD2-NZ 3.15Å; D80-K308 PolarHBondContact OD2-NZ 3.25Å; D267-K308 IonicContact OD1-NZ 2.7Å; D267-K308 PolarHBondContact OD1-NZ 2.99Å; L305-K308 PolarHBondContact O-N 3.45Å; F306-K308 HydrophobicContact CB-CG 4.14Å; F306-K308 PolarHBondContact O-N 3Å; F306-K308 VanDerWaalsContact O-N 3.14Å
309R87.6Confident89.7Confident236 Ų23678.8 Ų78.889%0.89144%0.438SS*.  trans-65.6142.6167.3-69.4-176.5177.9179.4-0.1109.5
310S91.8Very high89.8Confident61 Ų6181.6 Ų81.643%0.42745%0.453SS..  trans-109.3146.1178.962.70000111.5L77 Y78L77-S310 CarbonylContact O-C 3.46Å; L77-S310 WeakPolarHBondContact O-CA 3.45Å; Y78-S310 VanDerWaalsContact CE1-CB 3.45Å
311V93.2Very high90.2Very high101 Ų10179.2 Ų79.261%0.61244%0.44SS*.EExtended strand (participates in β ladder)trans-115.5127169179.10000108.6L77 C313L77-V311 PolarHBondContact N-O 2.98Å; L77-V311 PolarHBondContact O-N 3.34Å; V311-C313 PolarHBondContact O-N 2.91Å
312V95.4Very high90.7Very high78 Ų7878.9 Ų78.947%0.47343%0.427SS..EExtended strand (participates in β ladder)trans-72.3117.4169-179.30000107.5Q74 I76Q74-V312 HydrophobicContact CG-CG1 3.92Å; I76-V312 HydrophobicContact CG1-CG2 4.43Å
313C95.5Very high91.2Very high21 Ų2176.8 Ų76.814%0.14242%0.42CS..PPolyproline II helixtrans-65138.5178.3-67.20000109.7L75 V311L75-C313 HydrophobicContact CB-CB 4.07Å; L75-C313 HydrophobicContact CD2-CB 4.27Å; L75-C313 HydrophobicContact CG-CB 4.35Å; L75-C313 WeakPolarHBondContact O-CB 3.08Å; L75-C313 PolarHBondContact O-N 3.44Å; V311-C313 PolarHBondContact O-N 2.91Å
314K95.5Very high91.9Very high183 Ų18375.9 Ų75.980%0.79641%0.41SS*.PPolyproline II helixtrans-58133.5168.7-66.9-175.3-178.8179.60108.8R110R110-K314 PolarHBondContact NE-O 3.47Å; R110-K314 VanDerWaalsContact NE-O 3.16Å; R110-K314 PolarHBondContact NH2-O 3.43Å
315P95.5Very high92.7Very high99 Ų9973.1 Ų73.164%0.64339%0.394SS*.PPolyproline II helixtrans-57.6147173.9-23.333.4000111E68 L317E68-P315 WeakPolarHBondContact OE1-CA 3.45Å; P315-L317 PolarHBondContact O-N 3.24Å
316I95.5Very high93.5Very high10 Ų1078.4 Ų78.45%0.05142%0.422CS..PPolyproline II helixtrans-59.2131.2170.4-65.6166.4000108.4L64 E68 N69 V109 D320 T321L64-I316 HydrophobicContact CB-CD1 4.26Å; L64-I316 HydrophobicContact CD1-CD1 4.08Å; L64-I316 HydrophobicContact CD2-CD1 4.02Å; L64-I316 HydrophobicContact CG-CD1 4.36Å; E68-I316 HydrophobicContact CB-CD1 4.07Å; E68-I316 VanDerWaalsContact CD-CD1 3.44Å; E68-I316 HydrophobicContact CG-CD1 4.37Å; E68-I316 WeakPolarHBondContact OE1-CG1 3.48Å; E68-I316 PolarHBondContact OE1-N 2.95Å; E68-I316 WeakPolarHBondContact OE2-CD1 3.48Å; E68-I316 WeakPolarHBondContact OE2-CG1 3.41Å; N69-I316 PolarHBondContact ND2-O 3.21Å; V109-I316 HydrophobicContact CG1-CD1 3.51Å; V109-I316 HydrophobicContact CG1-CG1 3.86Å; I316-D320 HydrophobicContact CG2-CB 3.62Å; I316-T321 HydrophobicContact CG2-CG2 3.71Å
317L96.3Very high94.2Very high104 Ų10480.5 Ų80.555%0.54544%0.435SS..PPolyproline II helixtrans-72147.1178.3-61.3176000109.6P315 M319 D320P315-L317 PolarHBondContact O-N 3.24Å; L317-M319 HydrophobicContact CB-CG 3.86Å; L317-M319 HydrophobicContact CB-SD 4.37Å; L317-M319 HydrophobicContact CD1-CG 4.34Å; L317-M319 HydrophobicContact CD1-SD 3.88Å; L317-M319 PolarHBondContact O-N 3.12Å; L317-M319 VanDerWaalsContact O-N 3.13Å; L317-D320 WeakPolarHBondContact CB-OD2 3.49Å; L317-D320 PolarHBondContact N-OD2 3.25Å; L317-D320 VanDerWaalsContact O-CB 3.29Å; L317-D320 WeakPolarHBondContact O-CB 3.09Å; L317-D320 PolarHBondContact O-N 3.29Å
318L96.3Very high95.1Very high97 Ų9777.8 Ų77.851%0.50841%0.405SS..G310 helixtrans-57.5-30.1175.5-76.6175000112.2L65 N69 D320 T321 I322L65-L318 HydrophobicContact CD1-CD2 4.07Å; N69-L318 HydrophobicContact CB-CD2 3.83Å; L318-D320 PolarHBondContact O-N 2.98Å; L318-T321 PolarHBondContact O-N 3.16Å; L318-T321 PolarHBondContact O-OG1 3.37Å; L318-I322 HydrophobicContact CB-CD1 3.71Å; L318-I322 HydrophobicContact CB-CG1 4.16Å; L318-I322 HydrophobicContact CD1-CD1 4.33Å; L318-I322 HydrophobicContact CD2-CD1 4.2Å; L318-I322 HydrophobicContact CD2-CG1 4.35Å; L318-I322 HydrophobicContact CG-CD1 4.31Å; L318-I322 VanDerWaalsContact O-CB 3.23Å; L318-I322 WeakPolarHBondContact O-CB 3.41Å; L318-I322 VanDerWaalsContact O-CG1 3.28Å; L318-I322 WeakPolarHBondContact O-CG1 3.43Å; L318-I322 PolarHBondContact O-N 2.95Å
319M96Very high95.6Very high140 Ų14077.1 Ų77.169%0.6941%0.408SS*.G310 helixtrans-66.8-16.1175.773.7-160.8-4200114L317 P323L317-M319 HydrophobicContact CB-CG 3.86Å; L317-M319 HydrophobicContact CB-SD 4.37Å; L317-M319 HydrophobicContact CD1-CG 4.34Å; L317-M319 HydrophobicContact CD1-SD 3.88Å; L317-M319 PolarHBondContact O-N 3.12Å; L317-M319 VanDerWaalsContact O-N 3.13Å; M319-P323 WeakPolarHBondContact O-CD 3.43Å; M319-P323 VanDerWaalsContact O-CG 3.26Å; M319-P323 WeakPolarHBondContact O-CG 3.32Å
320D95.3Very high96.1Very high61 Ų6168.6 Ų68.633%0.32639%0.388SS..G310 helixtrans-83.3-16.7175.2-67.3-51.4000113.2R61 I316 L317 L318R61-D320 WeakPolarHBondContact CD-O 3.42Å; R61-D320 WeakPolarHBondContact CG-O 3.39Å; R61-D320 PolarHBondContact NH1-O 3.3Å; R61-D320 IonicContact NH1-OD1 3.9Å; I316-D320 HydrophobicContact CG2-CB 3.62Å; L317-D320 WeakPolarHBondContact CB-OD2 3.49Å; L317-D320 PolarHBondContact N-OD2 3.25Å; L317-D320 VanDerWaalsContact O-CB 3.29Å; L317-D320 WeakPolarHBondContact O-CB 3.09Å; L317-D320 PolarHBondContact O-N 3.29Å; L318-D320 PolarHBondContact O-N 2.98Å
321T97.3Very high96.3Very high0 Ų067.4 Ų67.40%038%0.381CS..THydrogen-bonded Turntrans-123.6-37.8-172.159.50000113.4R61 L64 N69 I316 L318 S324 A325R61-T321 WeakPolarHBondContact O-CB 3.17Å; R61-T321 WeakPolarHBondContact O-CG2 3.29Å; L64-T321 HydrophobicContact CB-CG2 4.01Å; N69-T321 WeakPolarHBondContact OD1-CB 3.39Å; N69-T321 VanDerWaalsContact OD1-CG2 3.28Å; N69-T321 WeakPolarHBondContact OD1-CG2 3.39Å; N69-T321 PolarHBondContact OD1-OG1 2.83Å; I316-T321 HydrophobicContact CG2-CG2 3.71Å; L318-T321 PolarHBondContact O-N 3.16Å; L318-T321 PolarHBondContact O-OG1 3.37Å; T321-S324 PolarHBondContact O-N 3.29Å; T321-A325 PolarHBondContact O-N 3.5Å
322I97.1Very high96.5Very high67 Ų6763.1 Ų63.134%0.34436%0.355SS..Hα-helixtrans-57.7-45.5179.1-72-178000112.4L65 L318 S324 A325 L326L65-I322 HydrophobicContact CD1-CG1 4.44Å; L318-I322 HydrophobicContact CB-CD1 3.71Å; L318-I322 HydrophobicContact CB-CG1 4.16Å; L318-I322 HydrophobicContact CD1-CD1 4.33Å; L318-I322 HydrophobicContact CD2-CD1 4.2Å; L318-I322 HydrophobicContact CD2-CG1 4.35Å; L318-I322 HydrophobicContact CG-CD1 4.31Å; L318-I322 VanDerWaalsContact O-CB 3.23Å; L318-I322 WeakPolarHBondContact O-CB 3.41Å; L318-I322 VanDerWaalsContact O-CG1 3.28Å; L318-I322 WeakPolarHBondContact O-CG1 3.43Å; L318-I322 PolarHBondContact O-N 2.95Å; I322-S324 VanDerWaalsContact C-N 3.32Å; I322-S324 PolarHBondContact O-N 2.81Å; I322-A325 CarbonylContact O-C 3.53Å; I322-A325 WeakPolarHBondContact O-CB 3.44Å; I322-A325 PolarHBondContact O-N 3.08Å; I322-A325 VanDerWaalsContact O-N 3.08Å; I322-L326 HydrophobicContact CG2-CD1 3.63Å; I322-L326 HydrophobicContact CG2-CG 3.85Å; I322-L326 WeakPolarHBondContact O-CB 3.46Å; I322-L326 WeakPolarHBondContact O-CG 3.33Å; I322-L326 PolarHBondContact O-N 3.41Å
323P98Very high96.5Very high75 Ų7563.8 Ų63.849%0.48736%0.359SS..Hα-helixtrans-57.6-43.2179.6-27.936.9000113.1M319 L326 L327M319-P323 WeakPolarHBondContact O-CD 3.43Å; M319-P323 VanDerWaalsContact O-CG 3.26Å; M319-P323 WeakPolarHBondContact O-CG 3.32Å; P323-L326 PolarHBondContact O-N 3.27Å; P323-L327 WeakPolarHBondContact O-CB 3.4Å; P323-L327 PolarHBondContact O-N 2.91Å
324S97.7Very high96.5Very high9 Ų967.2 Ų67.26%0.06338%0.38CS..Hα-helixtrans-63.6-42.1174.3-66.70000112.3I58 R61 T321 I322 L327 L328I58-S324 WeakPolarHBondContact O-CB 3.39Å; I58-S324 PolarHBondContact O-OG 2.92Å; I58-S324 VanDerWaalsContact O-OG 3.13Å; R61-S324 WeakPolarHBondContact CB-OG 3.37Å; T321-S324 PolarHBondContact O-N 3.29Å; I322-S324 VanDerWaalsContact C-N 3.32Å; I322-S324 PolarHBondContact O-N 2.81Å; S324-L327 PolarHBondContact O-N 3.25Å; S324-L328 WeakPolarHBondContact O-CG 3.41Å; S324-L328 PolarHBondContact O-N 2.93Å
325A96.7Very high96.5Very high10 Ų1060 Ų608%0.08335%0.35CS..Hα-helixtrans-63.8-43.4177.800000112F62 L65 T321 I322 S329F62-A325 HydrophobicContact CD2-CB 3.78Å; F62-A325 HydrophobicContact CE2-CB 4.46Å; L65-A325 HydrophobicContact CD2-CB 3.7Å; T321-A325 PolarHBondContact O-N 3.5Å; I322-A325 CarbonylContact O-C 3.53Å; I322-A325 WeakPolarHBondContact O-CB 3.44Å; I322-A325 PolarHBondContact O-N 3.08Å; I322-A325 VanDerWaalsContact O-N 3.08Å; A325-S329 WeakPolarHBondContact O-CB 3.45Å; A325-S329 PolarHBondContact O-N 3.28Å; A325-S329 PolarHBondContact O-OG 3.14Å
326L97.4Very high96.5Very high111 Ų11158.2 Ų58.258%0.58134%0.335SS*.Hα-helixtrans-64.1-45176-70.4177.2000111.2I322 P323 S329 A330I322-L326 HydrophobicContact CG2-CD1 3.63Å; I322-L326 HydrophobicContact CG2-CG 3.85Å; I322-L326 WeakPolarHBondContact O-CB 3.46Å; I322-L326 WeakPolarHBondContact O-CG 3.33Å; I322-L326 PolarHBondContact O-N 3.41Å; P323-L326 PolarHBondContact O-N 3.27Å; L326-S329 PolarHBondContact O-N 3.39Å; L326-A330 WeakPolarHBondContact O-CB 3.47Å; L326-A330 PolarHBondContact O-N 3.49Å
327L97.7Very high96.5Very high100 Ų10061.7 Ų61.752%0.52436%0.359SS..Hα-helixtrans-58.7-52.4178.2177.763.3000111.6I58 P323 S324 A330 A331I58-L327 HydrophobicContact CD1-CD2 4.44Å; I58-L327 HydrophobicContact CG2-CD2 4.04Å; P323-L327 WeakPolarHBondContact O-CB 3.4Å; P323-L327 PolarHBondContact O-N 2.91Å; S324-L327 PolarHBondContact O-N 3.25Å; L327-A330 PolarHBondContact O-N 3.05Å; L327-A331 WeakPolarHBondContact O-CB 3.4Å; L327-A331 PolarHBondContact O-N 2.95Å
328L97.3Very high96.5Very high9 Ų960 Ų605%0.04735%0.353CS..Hα-helixtrans-67.4-37.7-179.6-69.6173.5000112T24 F28 Y59 F62 S324 T332T24-L328 HydrophobicContact CG2-CB 3.9Å; F28-L328 HydrophobicContact CB-CD2 4.31Å; Y59-L328 HydrophobicContact CD2-CD1 3.88Å; Y59-L328 HydrophobicContact CD2-CD2 4.4Å; Y59-L328 HydrophobicContact CE2-CD1 4.22Å; F62-L328 HydrophobicContact CB-CD1 3.57Å; F62-L328 HydrophobicContact CD1-CD1 3.71Å; F62-L328 HydrophobicContact CG-CD1 3.69Å; S324-L328 WeakPolarHBondContact O-CG 3.41Å; S324-L328 PolarHBondContact O-N 2.93Å; L328-T332 VanDerWaalsContact O-CB 3.31Å; L328-T332 WeakPolarHBondContact O-CB 3.37Å; L328-T332 PolarHBondContact O-N 2.95Å; L328-T332 PolarHBondContact O-OG1 2.88Å
329S95.5Very high96.5Very high48 Ų4859.3 Ų59.334%0.33635%0.353SS..Hα-helixtrans-67.2-44.8176.9-59.90000111.4A325 L326 A331 T332 V333A325-S329 WeakPolarHBondContact O-CB 3.45Å; A325-S329 PolarHBondContact O-N 3.28Å; A325-S329 PolarHBondContact O-OG 3.14Å; L326-S329 PolarHBondContact O-N 3.39Å; S329-A331 PolarHBondContact O-N 3.31Å; S329-T332 PolarHBondContact O-N 3.23Å; S329-V333 WeakPolarHBondContact O-CB 3.29Å; S329-V333 VanDerWaalsContact O-CG2 3.27Å; S329-V333 WeakPolarHBondContact O-CG2 3.35Å; S329-V333 PolarHBondContact O-N 3.37Å
330A97Very high96.5Very high56 Ų5661.4 Ų61.446%0.46336%0.358SS..Hα-helixtrans-62.1-44177.500000111.6L326 L327 T332 V333 T334L326-A330 WeakPolarHBondContact O-CB 3.47Å; L326-A330 PolarHBondContact O-N 3.49Å; L327-A330 PolarHBondContact O-N 3.05Å; A330-T332 VanDerWaalsContact C-N 3.34Å; A330-T332 PolarHBondContact O-N 3.45Å; A330-V333 PolarHBondContact O-N 3.34Å; A330-T334 WeakPolarHBondContact O-CB 3.5Å; A330-T334 PolarHBondContact O-N 2.71Å; A330-T334 PolarHBondContact O-OG1 2.77Å
331A96.7Very high96.6Very high36 Ų3658.9 Ų58.930%0.29835%0.346SS..Hα-helixtrans-62.2-42.317500000111.8P27 L327 S329 T334 L335P27-A331 HydrophobicContact CB-CB 3.67Å; P27-A331 HydrophobicContact CG-CB 4.24Å; L327-A331 WeakPolarHBondContact O-CB 3.4Å; L327-A331 PolarHBondContact O-N 2.95Å; S329-A331 PolarHBondContact O-N 3.31Å; A331-T334 PolarHBondContact O-N 3.49Å; A331-L335 PolarHBondContact O-N 3.41Å
332T96.8Very high96.6Very high11 Ų1163.8 Ų63.87%0.06737%0.365CS..Hα-helixtrans-64.3-48.8176.9-57.20000111.5C23 P27 L328 S329 A330 T334 L335 L336C23-T332 HydrophobicContact CB-CG2 3.89Å; P27-T332 WeakPolarHBondContact CG-OG1 3.33Å; L328-T332 VanDerWaalsContact O-CB 3.31Å; L328-T332 WeakPolarHBondContact O-CB 3.37Å; L328-T332 PolarHBondContact O-N 2.95Å; L328-T332 PolarHBondContact O-OG1 2.88Å; S329-T332 PolarHBondContact O-N 3.23Å; A330-T332 VanDerWaalsContact C-N 3.34Å; A330-T332 PolarHBondContact O-N 3.45Å; T332-T334 VanDerWaalsContact C-N 3.31Å; T332-T334 PolarHBondContact O-N 2.61Å; T332-L335 PolarHBondContact O-N 3.01Å; T332-L335 VanDerWaalsContact O-N 3.17Å; T332-L336 HydrophobicContact CG2-CD1 3.8Å; T332-L336 HydrophobicContact CG2-CG 4.34Å; T332-L336 WeakPolarHBondContact O-CG 3.11Å; T332-L336 PolarHBondContact O-N 3.49Å
333V95.9Very high96.5Very high92 Ų9269.4 Ų69.456%0.55838%0.382SS*.Hα-helixtrans-61.3-40.5179170.10000111S329 A330 L335 L336 C337S329-V333 WeakPolarHBondContact O-CB 3.29Å; S329-V333 VanDerWaalsContact O-CG2 3.27Å; S329-V333 WeakPolarHBondContact O-CG2 3.35Å; S329-V333 PolarHBondContact O-N 3.37Å; A330-V333 PolarHBondContact O-N 3.34Å; V333-L335 VanDerWaalsContact C-N 3.3Å; V333-L335 PolarHBondContact O-N 2.91Å; V333-L336 PolarHBondContact O-N 3.47Å; V333-L336 VanDerWaalsContact O-N 3.13Å; V333-C337 VanDerWaalsContact O-CB 3.24Å; V333-C337 WeakPolarHBondContact O-CB 3.5Å; V333-C337 PolarHBondContact O-N 2.85Å; V333-C337 PolarHBondContact O-SG 3.49Å
334T95.1Very high96.5Very high93 Ų9370.5 Ų70.557%0.57138%0.379SS*.Hα-helixtrans-59.8-39.6176.3-58.90000112.1A330 A331 T332 C337A330-T334 WeakPolarHBondContact O-CB 3.5Å; A330-T334 PolarHBondContact O-N 2.71Å; A330-T334 PolarHBondContact O-OG1 2.77Å; A331-T334 PolarHBondContact O-N 3.49Å; T332-T334 VanDerWaalsContact C-N 3.31Å; T332-T334 PolarHBondContact O-N 2.61Å; T334-C337 PolarHBondContact O-SG 2.91Å
335L95Very high96.5Very high31 Ų3171.2 Ų71.216%0.16238%0.381CS..Hα-helixtrans-69.7-42.2173.6-68.7176.5000111.3V26 P27 A331 T332 V333 G341 R342 F344 F345V26-L335 HydrophobicContact CG1-CD1 3.99Å; P27-L335 HydrophobicContact CB-CD1 4.13Å; A331-L335 PolarHBondContact O-N 3.41Å; T332-L335 PolarHBondContact O-N 3.01Å; T332-L335 VanDerWaalsContact O-N 3.17Å; V333-L335 VanDerWaalsContact C-N 3.3Å; V333-L335 PolarHBondContact O-N 2.91Å; L335-G341 CarbonylContact O-C 3.54Å; L335-G341 WeakPolarHBondContact O-CA 3.39Å; L335-R342 PolarHBondContact O-N 3.22Å; L335-F344 HydrophobicContact CD2-CD1 3.86Å; L335-F344 HydrophobicContact CD2-CE1 4.22Å; L335-F345 HydrophobicContact CB-CD2 4.35Å; L335-F345 HydrophobicContact CD1-CD2 4.25Å
336L95.5Very high96.4Very high62 Ų6275.8 Ų75.833%0.32540%0.403SS..Hα-helixtrans-81.4-19.3-172.9-63-179.5000114.4T332 V333 T338 R342 F345T332-L336 HydrophobicContact CG2-CD1 3.8Å; T332-L336 HydrophobicContact CG2-CG 4.34Å; T332-L336 WeakPolarHBondContact O-CG 3.11Å; T332-L336 PolarHBondContact O-N 3.49Å; V333-L336 PolarHBondContact O-N 3.47Å; V333-L336 VanDerWaalsContact O-N 3.13Å; L336-T338 PolarHBondContact O-N 3.42Å; L336-R342 HydrophobicContact CD2-CG 4.25Å; L336-R342 WeakPolarHBondContact O-CD 3.36Å; L336-R342 WeakPolarHBondContact O-CG 3.42Å; L336-R342 PolarHBondContact O-NH1 3.37Å; L336-F345 HydrophobicContact CD2-CB 4.16Å; L336-F345 HydrophobicContact CD2-CD1 4.2Å; L336-F345 HydrophobicContact CD2-CD2 3.82Å; L336-F345 HydrophobicContact CD2-CE2 4.29Å; L336-F345 HydrophobicContact CD2-CG 3.79Å; L336-F345 HydrophobicContact CG-CD2 4.45Å
337C95.5Very high96.4Very high83 Ų8376.2 Ų76.256%0.56140%0.401SS*.Hα-helixtrans-72.4-28.3-175.268.60000113.4V333 T334 R342V333-C337 VanDerWaalsContact O-CB 3.24Å; V333-C337 WeakPolarHBondContact O-CB 3.5Å; V333-C337 PolarHBondContact O-N 2.85Å; V333-C337 PolarHBondContact O-SG 3.49Å; T334-C337 PolarHBondContact O-SG 2.91Å; C337-R342 PolarHBondContact O-NH1 2.75Å
338T96.1Very high96.3Very high70 Ų7072.1 Ų72.143%0.42938%0.38SS..SBendtrans-105.4150.6179.770.80000112.5L336 K340 G341 R342L336-T338 PolarHBondContact O-N 3.42Å; T338-K340 VanDerWaalsContact C-N 3.29Å; T338-K340 PolarHBondContact O-N 2.83Å; T338-G341 PolarHBondContact O-N 3.36Å; T338-G341 PolarHBondContact OG1-N 3.23Å; T338-R342 WeakPolarHBondContact O-CG 3.34Å; T338-R342 PolarHBondContact O-N 3.5Å
339T96.2Very high96.3Very high81 Ų8176.7 Ų76.750%0.49740%0.397SS..Hα-helixtrans-60.9-39.4175.2-550000111.9R342 R343T339-R342 PolarHBondContact OG1-NH2 3.46Å; T339-R342 VanDerWaalsContact OG1-NH2 3.15Å; T339-R343 WeakPolarHBondContact O-CG 3.4Å; T339-R343 PolarHBondContact O-N 3.42Å; T339-R343 VanDerWaalsContact O-N 3.14Å
340K96.7Very high96.3Very high184 Ų18477.9 Ų77.980%0.840%0.402SS*.Hα-helixtrans-62.9-46.8175.3-70.9-176179.2178.80111.1T338 R343 F344T338-K340 VanDerWaalsContact C-N 3.29Å; T338-K340 PolarHBondContact O-N 2.83Å; K340-R343 PolarHBondContact O-N 3.26Å; K340-F344 WeakPolarHBondContact O-CB 3.04Å; K340-F344 PolarHBondContact O-N 2.9Å
341G97.1Very high96.2Very high8 Ų878.7 Ų78.78%0.08240%0.398CS..Hα-helixtrans-64.8-38.917900000113L335 T338 R343 F344 F345L335-G341 CarbonylContact O-C 3.54Å; L335-G341 WeakPolarHBondContact O-CA 3.39Å; T338-G341 PolarHBondContact O-N 3.36Å; T338-G341 PolarHBondContact OG1-N 3.23Å; G341-R343 PolarHBondContact O-N 3.32Å; G341-F344 WeakPolarHBondContact O-CB 3.35Å; G341-F344 PolarHBondContact O-N 3.02Å; G341-F345 WeakPolarHBondContact O-CB 3.34Å; G341-F345 PolarHBondContact O-N 2.99Å
342R96.9Very high96.1Very high104 Ų10477.5 Ų77.539%0.39239%0.389SS..Hα-helixtrans-62.5-42.6173.6-72.2-169.6-62.7-83.84.2112.4L335 L336 C337 T338 T339 F345 I346L335-R342 PolarHBondContact O-N 3.22Å; L336-R342 HydrophobicContact CD2-CG 4.25Å; L336-R342 WeakPolarHBondContact O-CD 3.36Å; L336-R342 WeakPolarHBondContact O-CG 3.42Å; L336-R342 PolarHBondContact O-NH1 3.37Å; C337-R342 PolarHBondContact O-NH1 2.75Å; T338-R342 WeakPolarHBondContact O-CG 3.34Å; T338-R342 PolarHBondContact O-N 3.5Å; T339-R342 PolarHBondContact OG1-NH2 3.46Å; T339-R342 VanDerWaalsContact OG1-NH2 3.15Å; R342-F345 WeakPolarHBondContact O-CB 3.48Å; R342-F345 PolarHBondContact O-N 3.5Å; R342-I346 WeakPolarHBondContact O-CG1 3.18Å; R342-I346 PolarHBondContact O-N 3.2Å
343R97Very high96Very high185 Ų18577.6 Ų77.670%0.69839%0.39SS*.Hα-helixtrans-62.2-45.1174.7-72.5178-179.8-1790.3111.1T339 K340 G341 I346 F347T339-R343 WeakPolarHBondContact O-CG 3.4Å; T339-R343 PolarHBondContact O-N 3.42Å; T339-R343 VanDerWaalsContact O-N 3.14Å; K340-R343 PolarHBondContact O-N 3.26Å; G341-R343 PolarHBondContact O-N 3.32Å; R343-I346 PolarHBondContact O-N 3.08Å; R343-F347 VanDerWaalsContact O-CB 3.29Å; R343-F347 WeakPolarHBondContact O-CB 3.39Å; R343-F347 PolarHBondContact O-N 3.34Å
344F96.8Very high96Very high98 Ų9877.9 Ų77.943%0.4339%0.388SS..Hα-helixtrans-60.6-44.1175178.3-100.4000111.9L335 K340 G341 I346 F347 V348L335-F344 HydrophobicContact CD2-CD1 3.86Å; L335-F344 HydrophobicContact CD2-CE1 4.22Å; K340-F344 WeakPolarHBondContact O-CB 3.04Å; K340-F344 PolarHBondContact O-N 2.9Å; G341-F344 WeakPolarHBondContact O-CB 3.35Å; G341-F344 PolarHBondContact O-N 3.02Å; F344-I346 PolarHBondContact O-N 2.9Å; F344-F347 WeakPolarHBondContact O-CB 3.48Å; F344-F347 PolarHBondContact O-N 2.63Å; F344-V348 HydrophobicContact CD1-CG2 4.16Å; F344-V348 HydrophobicContact CD2-CG2 4.21Å; F344-V348 HydrophobicContact CE1-CG2 3.72Å; F344-V348 HydrophobicContact CE2-CG2 3.76Å; F344-V348 HydrophobicContact CG-CG2 4.4Å; F344-V348 HydrophobicContact CZ-CG2 3.5Å; F344-V348 WeakPolarHBondContact O-CG2 3.47Å; F344-V348 PolarHBondContact O-N 3.37Å
345F96.9Very high95.9Very high23 Ų2377.2 Ų77.210%0.10138%0.384CS..Hα-helixtrans-57.7-51.8177.6-176.7-76.5000111.5C23 V26 L335 L336 G341 R342 F347 V348 W349C23-F345 HydrophobicContact CB-CZ 4.36Å; C23-F345 VanDerWaalsContact O-CE2 3.28Å; C23-F345 WeakPolarHBondContact O-CE2 3.08Å; V26-F345 HydrophobicContact CB-CD2 3.73Å; V26-F345 HydrophobicContact CB-CE2 3.48Å; V26-F345 VanDerWaalsContact CB-CE2 3.48Å; V26-F345 HydrophobicContact CB-CG 4.45Å; V26-F345 HydrophobicContact CB-CZ 3.99Å; V26-F345 HydrophobicContact CG1-CD2 3.78Å; V26-F345 HydrophobicContact CG1-CE2 4.09Å; V26-F345 HydrophobicContact CG1-CG 4.29Å; V26-F345 HydrophobicContact CG2-CD1 4.25Å; V26-F345 HydrophobicContact CG2-CD2 3.88Å; V26-F345 HydrophobicContact CG2-CE1 3.87Å; V26-F345 HydrophobicContact CG2-CE2 3.51Å; V26-F345 HydrophobicContact CG2-CG 4.22Å; V26-F345 HydrophobicContact CG2-CZ 3.46Å; V26-F345 VanDerWaalsContact CG2-CZ 3.46Å; L335-F345 HydrophobicContact CB-CD2 4.35Å; L335-F345 HydrophobicContact CD1-CD2 4.25Å; L336-F345 HydrophobicContact CD2-CB 4.16Å; L336-F345 HydrophobicContact CD2-CD1 4.2Å; L336-F345 HydrophobicContact CD2-CD2 3.82Å; L336-F345 HydrophobicContact CD2-CE2 4.29Å; L336-F345 HydrophobicContact CD2-CG 3.79Å; L336-F345 HydrophobicContact CG-CD2 4.45Å; G341-F345 WeakPolarHBondContact O-CB 3.34Å; G341-F345 PolarHBondContact O-N 2.99Å; R342-F345 WeakPolarHBondContact O-CB 3.48Å; R342-F345 PolarHBondContact O-N 3.5Å; F345-F347 VanDerWaalsContact C-N 3.29Å; F345-F347 PolarHBondContact O-N 3.2Å; F345-V348 PolarHBondContact O-N 3.15Å; F345-W349 HydrophobicContact CE1-CB 4.44Å; F345-W349 WeakPolarHBondContact O-CB 3.48Å; F345-W349 PolarHBondContact O-N 2.87Å
346I95.9Very high95.9Very high107 Ų10776.1 Ų76.155%0.54938%0.379SS..Hα-helixtrans-62.1-40.1178.6-67.2167.3000110.5R342 R343 F344 W349 T350R342-I346 WeakPolarHBondContact O-CG1 3.18Å; R342-I346 PolarHBondContact O-N 3.2Å; R343-I346 PolarHBondContact O-N 3.08Å; F344-I346 PolarHBondContact O-N 2.9Å; I346-W349 PolarHBondContact O-N 2.93Å; I346-T350 HydrophobicContact CG2-CG2 4.29Å; I346-T350 WeakPolarHBondContact O-CB 3.46Å; I346-T350 WeakPolarHBondContact O-CG2 3.41Å; I346-T350 PolarHBondContact O-N 3.36Å; I346-T350 PolarHBondContact O-OG1 3.48Å
347F96.7Very high95.8Very high119 Ų11975.6 Ų75.652%0.52238%0.376SS..Hα-helixtrans-62.5-49.7177.4178.2-92.8000112R343 F344 F345 T350 L351R343-F347 VanDerWaalsContact O-CB 3.29Å; R343-F347 WeakPolarHBondContact O-CB 3.39Å; R343-F347 PolarHBondContact O-N 3.34Å; F344-F347 WeakPolarHBondContact O-CB 3.48Å; F344-F347 PolarHBondContact O-N 2.63Å; F345-F347 VanDerWaalsContact C-N 3.29Å; F345-F347 PolarHBondContact O-N 3.2Å; F347-T350 PolarHBondContact O-N 3.48Å; F347-T350 PolarHBondContact O-OG1 3.13Å; F347-L351 HydrophobicContact CD2-CD2 4.37Å; F347-L351 HydrophobicContact CE1-CD2 3.97Å; F347-L351 HydrophobicContact CE2-CB 4.38Å; F347-L351 HydrophobicContact CE2-CD2 3.47Å; F347-L351 VanDerWaalsContact CE2-CD2 3.47Å; F347-L351 HydrophobicContact CZ-CB 4.49Å; F347-L351 HydrophobicContact CZ-CD2 3.25Å; F347-L351 HydrophobicContact CZ-CG 4.46Å; F347-L351 WeakPolarHBondContact O-CA 2.81Å; F347-L351 VanDerWaalsContact O-CB 3.3Å; F347-L351 WeakPolarHBondContact O-CB 3.11Å; F347-L351 PolarHBondContact O-N 3.06Å
348V96.8Very high95.6Very high15 Ų1576.1 Ų76.19%0.09137%0.373CS..Iπ-helixtrans-64-43.5177.6174.10000110.7V26 F29 F344 F345 T350 G352V26-V348 HydrophobicContact CG1-CB 3.95Å; V26-V348 HydrophobicContact CG1-CG1 3.86Å; F29-V348 HydrophobicContact CD1-CG1 3.8Å; F29-V348 HydrophobicContact CE1-CG1 4.2Å; F344-V348 HydrophobicContact CD1-CG2 4.16Å; F344-V348 HydrophobicContact CD2-CG2 4.21Å; F344-V348 HydrophobicContact CE1-CG2 3.72Å; F344-V348 HydrophobicContact CE2-CG2 3.76Å; F344-V348 HydrophobicContact CG-CG2 4.4Å; F344-V348 HydrophobicContact CZ-CG2 3.5Å; F344-V348 WeakPolarHBondContact O-CG2 3.47Å; F344-V348 PolarHBondContact O-N 3.37Å; F345-V348 PolarHBondContact O-N 3.15Å; V348-T350 PolarHBondContact O-N 3.35Å; V348-G352 WeakPolarHBondContact O-CA 3.48Å; V348-G352 PolarHBondContact O-N 3.26Å
349W95.7Very high95.4Very high105 Ų10574.1 Ų74.140%0.39836%0.362SS..Iπ-helixtrans-65-42.3-179.3-167.990.1000112.1V26 P129 F345 I346 S353V26-W349 HydrophobicContact CG2-CB 3.86Å; V26-W349 HydrophobicContact CG2-CG 4.33Å; P129-W349 HydrophobicContact CB-CZ2 3.84Å; P129-W349 HydrophobicContact CG-CH2 4.21Å; P129-W349 HydrophobicContact CG-CZ2 3.7Å; F345-W349 HydrophobicContact CE1-CB 4.44Å; F345-W349 WeakPolarHBondContact O-CB 3.48Å; F345-W349 PolarHBondContact O-N 2.87Å; I346-W349 PolarHBondContact O-N 2.93Å; W349-S353 WeakPolarHBondContact O-CB 3.25Å; W349-S353 PolarHBondContact O-OG 2.98Å
350T95.4Very high95.1Very high72 Ų7270.3 Ų70.344%0.44234%0.339SS..Iπ-helixtrans-79.8-63.7-179.855.80000112I346 F347 V348 S353 L354I346-T350 HydrophobicContact CG2-CG2 4.29Å; I346-T350 WeakPolarHBondContact O-CB 3.46Å; I346-T350 WeakPolarHBondContact O-CG2 3.41Å; I346-T350 PolarHBondContact O-N 3.36Å; I346-T350 PolarHBondContact O-OG1 3.48Å; F347-T350 PolarHBondContact O-N 3.48Å; F347-T350 PolarHBondContact O-OG1 3.13Å; V348-T350 PolarHBondContact O-N 3.35Å; T350-S353 PolarHBondContact O-N 2.9Å; T350-L354 PolarHBondContact O-N 3.31Å
351L95.2Very high94.7Very high74 Ų7467.4 Ų67.439%0.38733%0.326SS..Iπ-helixtrans-69.6-40.2-175.8-17167000111.5F347 S353 L354 T355F347-L351 HydrophobicContact CD2-CD2 4.37Å; F347-L351 HydrophobicContact CE1-CD2 3.97Å; F347-L351 HydrophobicContact CE2-CB 4.38Å; F347-L351 HydrophobicContact CE2-CD2 3.47Å; F347-L351 VanDerWaalsContact CE2-CD2 3.47Å; F347-L351 HydrophobicContact CZ-CB 4.49Å; F347-L351 HydrophobicContact CZ-CD2 3.25Å; F347-L351 HydrophobicContact CZ-CG 4.46Å; F347-L351 WeakPolarHBondContact O-CA 2.81Å; F347-L351 VanDerWaalsContact O-CB 3.3Å; F347-L351 WeakPolarHBondContact O-CB 3.11Å; F347-L351 PolarHBondContact O-N 3.06Å; L351-S353 VanDerWaalsContact C-N 3.32Å; L351-S353 PolarHBondContact O-N 2.92Å; L351-L354 HydrophobicContact CD1-CD2 4.43Å; L351-L354 PolarHBondContact O-N 3.37Å; L351-T355 WeakPolarHBondContact O-CB 3.35Å; L351-T355 PolarHBondContact O-N 2.73Å; L351-T355 PolarHBondContact O-OG1 3.41Å; L351-T355 VanDerWaalsContact O-OG1 3.05Å
352G95.2Very high94.2Very high11 Ų1174 Ų7411%0.11336%0.358CS..Iπ-helixtrans-60.6-41.1175.500000111.9V348 L354 T355 C356V348-G352 WeakPolarHBondContact O-CA 3.48Å; V348-G352 PolarHBondContact O-N 3.26Å; G352-L354 PolarHBondContact O-N 3.31Å; G352-T355 PolarHBondContact O-N 2.82Å; G352-C356 WeakPolarHBondContact O-CB 3.27Å; G352-C356 PolarHBondContact O-N 3.4Å; G352-C356 PolarHBondContact O-SG 3.28Å
353S94.7Very high93.4Very high13 Ų1373.5 Ų73.59%0.09136%0.36CS..Hα-helixtrans-64.5-40.7174.3-64.70000112.5P129 L130 W349 T350 L351 C356 L357P129-S353 WeakPolarHBondContact CA-OG 3.17Å; P129-S353 VanDerWaalsContact CB-OG 3.27Å; P129-S353 WeakPolarHBondContact CB-OG 3.44Å; L130-S353 WeakPolarHBondContact CD2-OG 3.47Å; L130-S353 PolarHBondContact N-OG 3.12Å; W349-S353 WeakPolarHBondContact O-CB 3.25Å; W349-S353 PolarHBondContact O-OG 2.98Å; T350-S353 PolarHBondContact O-N 2.9Å; L351-S353 VanDerWaalsContact C-N 3.32Å; L351-S353 PolarHBondContact O-N 2.92Å; S353-C356 WeakPolarHBondContact O-CB 3.47Å; S353-C356 PolarHBondContact O-N 3.19Å; S353-L357 WeakPolarHBondContact O-CG 3.45Å; S353-L357 PolarHBondContact O-N 3.07Å
354L94.9Very high92.6Very high97 Ų9770.5 Ų70.551%0.50835%0.354SS..Hα-helixtrans-63.3-45.6175.6-170.470.8000111.3T350 L351 G352 C356 L357 L358T350-L354 PolarHBondContact O-N 3.31Å; L351-L354 HydrophobicContact CD1-CD2 4.43Å; L351-L354 PolarHBondContact O-N 3.37Å; G352-L354 PolarHBondContact O-N 3.31Å; L354-C356 VanDerWaalsContact C-N 3.34Å; L354-C356 PolarHBondContact O-N 3.45Å; L354-L357 PolarHBondContact O-N 3.37Å; L354-L358 HydrophobicContact CG-CD1 4.35Å; L354-L358 WeakPolarHBondContact O-CG 3.46Å; L354-L358 PolarHBondContact O-N 2.92Å
355T94.1Very high91.4Very high79 Ų7966.2 Ų66.249%0.48534%0.336SS..Hα-helixtrans-61.2-41.2175.5-60.60000111.6L351 G352 L357 L358 S359L351-T355 WeakPolarHBondContact O-CB 3.35Å; L351-T355 PolarHBondContact O-N 2.73Å; L351-T355 PolarHBondContact O-OG1 3.41Å; L351-T355 VanDerWaalsContact O-OG1 3.05Å; G352-T355 PolarHBondContact O-N 2.82Å; T355-L357 PolarHBondContact O-N 3.05Å; T355-L358 PolarHBondContact O-N 3.36Å; T355-S359 VanDerWaalsContact O-CB 3.31Å; T355-S359 WeakPolarHBondContact O-CB 3.31Å; T355-S359 PolarHBondContact O-N 3.47Å
356C94.9Very high89.6Confident8 Ų866.6 Ų66.65%0.05434%0.343CS..Hα-helixtrans-57.5-48173-80.20000111.7F29 W133 G352 S353 L354 S359 M360F29-C356 WeakPolarHBondContact CE2-SG 3.49Å; F29-C356 WeakPolarHBondContact CZ-SG 3.47Å; W133-C356 HydrophobicContact CB-CB 3.57Å; W133-C356 WeakPolarHBondContact CB-SG 3.35Å; W133-C356 HydrophobicContact CG-CB 4.11Å; G352-C356 WeakPolarHBondContact O-CB 3.27Å; G352-C356 PolarHBondContact O-N 3.4Å; G352-C356 PolarHBondContact O-SG 3.28Å; S353-C356 WeakPolarHBondContact O-CB 3.47Å; S353-C356 PolarHBondContact O-N 3.19Å; L354-C356 VanDerWaalsContact C-N 3.34Å; L354-C356 PolarHBondContact O-N 3.45Å; C356-S359 WeakPolarHBondContact O-CB 3.45Å; C356-S359 PolarHBondContact O-N 2.83Å; C356-M360 WeakPolarHBondContact O-CB 3.46Å; C356-M360 WeakPolarHBondContact O-CG 3.3Å; C356-M360 PolarHBondContact O-N 3.45Å
357L92.4Very high89.3Confident51 Ų5164.6 Ų64.627%0.26733%0.333SS..Hα-helixtrans-64.1-42.4178.1-70.2176.9000112.5Q126 Y127 S353 L354 T355 M360 K361Q126-L357 WeakPolarHBondContact O-CD2 3.36Å; Y127-L357 HydrophobicContact CD1-CD2 3.7Å; Y127-L357 HydrophobicContact CE1-CD2 4.34Å; S353-L357 WeakPolarHBondContact O-CG 3.45Å; S353-L357 PolarHBondContact O-N 3.07Å; L354-L357 PolarHBondContact O-N 3.37Å; T355-L357 PolarHBondContact O-N 3.05Å; L357-M360 PolarHBondContact O-N 2.82Å; L357-K361 WeakPolarHBondContact O-CG 3.32Å; L357-K361 PolarHBondContact O-N 3.17Å
358L93Very high88.9Confident94 Ų9461.7 Ų61.749%0.49232%0.323SS..Hα-helixtrans-61.9-44.7175.1-70.5170.6000111L354 T355 M360 K361 L362L354-L358 HydrophobicContact CG-CD1 4.35Å; L354-L358 WeakPolarHBondContact O-CG 3.46Å; L354-L358 PolarHBondContact O-N 2.92Å; T355-L358 PolarHBondContact O-N 3.36Å; L358-M360 VanDerWaalsContact C-N 3.34Å; L358-M360 PolarHBondContact O-N 2.83Å; L358-K361 PolarHBondContact O-N 3.48Å; L358-L362 VanDerWaalsContact O-CG 3.31Å; L358-L362 WeakPolarHBondContact O-CG 3.31Å; L358-L362 PolarHBondContact O-N 3.45Å
359S90.8Very high88.5Confident29 Ų2964.3 Ų64.320%0.20334%0.336CS..Hα-helixtrans-58.9-44.8175.2-176.70000111.7T355 C356 K361 L362 H363T355-S359 VanDerWaalsContact O-CB 3.31Å; T355-S359 WeakPolarHBondContact O-CB 3.31Å; T355-S359 PolarHBondContact O-N 3.47Å; C356-S359 WeakPolarHBondContact O-CB 3.45Å; C356-S359 PolarHBondContact O-N 2.83Å; S359-K361 PolarHBondContact O-N 3.24Å; S359-L362 PolarHBondContact O-N 2.8Å; S359-H363 PolarHBondContact O-N 2.95Å; S359-H363 PolarHBondContact O-ND1 3.33Å
360M90.4Very high88.1Confident1 Ų161.9 Ų61.91%0.00533%0.332CS..Hα-helixtrans-63.3-39.5177.1-69.2-69.4-76.600112.2Q126 W133 F136 Y142 C356 L357 L358 H363 Q364 V365 A366Q126-M360 HydrophobicContact CB-CE 4.07Å; W133-M360 HydrophobicContact CB-CG 4.31Å; F136-M360 HydrophobicContact CB-CE 3.69Å; F136-M360 HydrophobicContact CB-SD 3.61Å; F136-M360 HydrophobicContact CD1-SD 3.8Å; F136-M360 HydrophobicContact CD2-CE 4.28Å; F136-M360 HydrophobicContact CG-CE 3.96Å; F136-M360 HydrophobicContact CG-SD 3.75Å; Y142-M360 HydrophobicContact CD2-CE 3.94Å; Y142-M360 HydrophobicContact CE2-CE 3.6Å; C356-M360 WeakPolarHBondContact O-CB 3.46Å; C356-M360 WeakPolarHBondContact O-CG 3.3Å; C356-M360 PolarHBondContact O-N 3.45Å; L357-M360 PolarHBondContact O-N 2.82Å; L358-M360 VanDerWaalsContact C-N 3.34Å; L358-M360 PolarHBondContact O-N 2.83Å; M360-H363 CarbonylContact O-C 3.53Å; M360-H363 PolarHBondContact O-N 3.26Å; M360-Q364 PolarHBondContact O-N 2.9Å; M360-V365 HydrophobicContact CB-CB 4.46Å; M360-V365 HydrophobicContact CE-CB 3.73Å; M360-V365 HydrophobicContact CE-CG1 3.4Å; M360-V365 VanDerWaalsContact CE-CG1 3.4Å; M360-V365 HydrophobicContact CE-CG2 4.21Å; M360-V365 PolarHBondContact O-N 2.9Å; M360-V365 HydrophobicContact SD-CB 4.36Å; M360-V365 HydrophobicContact SD-CG2 4.37Å; M360-A366 HydrophobicContact CB-CB 3.84Å; M360-A366 PolarHBondContact O-N 3.35Å
361K88.4Confident87.6Confident123 Ų12361.3 Ų61.354%0.53533%0.325SS..Hα-helixtrans-64.9-41.4173.2-75.6-173.4175.7-174.60112.4L357 L358 S359 H363 Q364 A366L357-K361 WeakPolarHBondContact O-CG 3.32Å; L357-K361 PolarHBondContact O-N 3.17Å; L358-K361 PolarHBondContact O-N 3.48Å; S359-K361 PolarHBondContact O-N 3.24Å; K361-H363 VanDerWaalsContact C-N 3.26Å; K361-H363 PolarHBondContact O-N 3.36Å; K361-Q364 VanDerWaalsContact O-CA 3.32Å; K361-Q364 WeakPolarHBondContact O-CA 3.48Å; K361-Q364 PolarHBondContact O-N 3.27Å; K361-A366 HydrophobicContact CG-CB 3.75Å
362L85.8Confident87.1Confident146 Ų14660.4 Ų60.476%0.76432%0.321SS*.Hα-helixtrans-62.6-34.7176.3-71.1171.1000111.8L358 S359 Q364L358-L362 VanDerWaalsContact O-CG 3.31Å; L358-L362 WeakPolarHBondContact O-CG 3.31Å; L358-L362 PolarHBondContact O-N 3.45Å; S359-L362 PolarHBondContact O-N 2.8Å; L362-Q364 PolarHBondContact O-N 3.03Å
363H81Confident86.5Confident93 Ų9363.9 Ų63.943%0.43134%0.336SS..THydrogen-bonded Turntrans-81.58.2172.2-68.681000113.4F136 S359 M360 K361 V365F136-H363 HydrophobicContact CE1-CB 4.38Å; S359-H363 PolarHBondContact O-N 2.95Å; S359-H363 PolarHBondContact O-ND1 3.33Å; M360-H363 CarbonylContact O-C 3.53Å; M360-H363 PolarHBondContact O-N 3.26Å; K361-H363 VanDerWaalsContact C-N 3.26Å; K361-H363 PolarHBondContact O-N 3.36Å; H363-V365 HydrophobicContact CB-CG2 3.88Å; H363-V365 PolarHBondContact O-N 3.39Å; H363-V365 VanDerWaalsContact O-N 3.15Å
364Q78.9Confident85.9Confident123 Ų12367.8 Ų67.858%0.57536%0.355SS*.THydrogen-bonded Turntrans61.311.2-178.3-59.2-178.8-1100115.2I153 M360 K361 L362I153-Q364 HydrophobicContact CD1-CB 3.57Å; I153-Q364 WeakPolarHBondContact CD1-O 3.47Å; I153-Q364 HydrophobicContact CG1-CB 4.48Å; M360-Q364 PolarHBondContact O-N 2.9Å; K361-Q364 VanDerWaalsContact O-CA 3.32Å; K361-Q364 WeakPolarHBondContact O-CA 3.48Å; K361-Q364 PolarHBondContact O-N 3.27Å; L362-Q364 PolarHBondContact O-N 3.03Å
365V71.7Confident85.1Confident8 Ų865.4 Ų65.45%0.04834%0.342CS..  trans-72.5-41.3-178.7-167.30000110.7Q126 F136 Y142 R144 I153 M360 H363Q126-V365 VanDerWaalsContact OE1-C 3.29Å; Q126-V365 PolarHBondContact OE1-O 2.97Å; F136-V365 HydrophobicContact CD1-CG2 4.47Å; F136-V365 HydrophobicContact CD2-CG1 4.15Å; F136-V365 HydrophobicContact CD2-CG2 3.94Å; F136-V365 HydrophobicContact CE1-CG2 3.98Å; F136-V365 HydrophobicContact CE2-CB 4.43Å; F136-V365 HydrophobicContact CE2-CG1 4.17Å; F136-V365 HydrophobicContact CE2-CG2 3.34Å; F136-V365 HydrophobicContact CG-CG2 4.44Å; F136-V365 HydrophobicContact CZ-CG2 3.36Å; Y142-V365 HydrophobicContact CD2-CG1 3.61Å; Y142-V365 HydrophobicContact CE2-CG1 4.47Å; Y142-V365 HydrophobicContact CG-CG1 4.02Å; R144-V365 PolarHBondContact NH2-O 3.46Å; I153-V365 HydrophobicContact CG2-CG2 4.05Å; M360-V365 HydrophobicContact CB-CB 4.46Å; M360-V365 HydrophobicContact CE-CB 3.73Å; M360-V365 HydrophobicContact CE-CG1 3.4Å; M360-V365 VanDerWaalsContact CE-CG1 3.4Å; M360-V365 HydrophobicContact CE-CG2 4.21Å; M360-V365 PolarHBondContact O-N 2.9Å; M360-V365 HydrophobicContact SD-CB 4.36Å; M360-V365 HydrophobicContact SD-CG2 4.37Å; H363-V365 HydrophobicContact CB-CG2 3.88Å; H363-V365 PolarHBondContact O-N 3.39Å; H363-V365 VanDerWaalsContact O-N 3.15Å
366A60.2Low84.3Confident30 Ų3064.2 Ų64.225%0.24833%0.329CS..  trans-1000-174.400000115.1Q126 Y127 R144 M360 K361Q126-A366 HydrophobicContact CG-CB 4.23Å; Y127-A366 PolarHBondContact OH-OXT 3.42Å; R144-A366 VanDerWaalsContact NH2-C 3.3Å; R144-A366 PolarHBondContact NH2-OXT 3.44Å; M360-A366 HydrophobicContact CB-CB 3.84Å; M360-A366 PolarHBondContact O-N 3.35Å; K361-A366 HydrophobicContact CG-CB 3.75Å

Retrieved 366 of 366 residues in 429.6 ms (Link to these results)

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