A0A5K4FAZ1_SCHMA Loading...

F-box domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAZ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 364 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
1M43Very low74.8Confident241 Ų241109.2 Ų109.2100%1.18754%0.543SS*.  0118.90-89.4172.8165.400107.4S3M1-S3 PolarHBondContact O-N 2.73Å
2Y53.6Low75.8Confident232 Ų232106.4 Ų106.491%0.9153%0.531SS*.PPolyproline II helixtrans-64.3120.7173.5-65.8-80000108.3I4Y2-I4 PolarHBondContact O-N 2.95Å
3S72.7Confident76.8Confident108 Ų10898.5 Ų98.576%0.75549%0.491SS*.PPolyproline II helixtrans-62.5127.3171.849.50000108.4M1 P5M1-S3 PolarHBondContact O-N 2.73Å; S3-P5 WeakPolarHBondContact O-CD 3.47Å
4I73.9Confident77.4Confident85 Ų8596.7 Ų96.744%0.43648%0.484SS..PPolyproline II helixtrans-55.9126171.6-57.6173.2000107.1Y2 T6 I8 L9Y2-I4 PolarHBondContact O-N 2.95Å; I4-T6 PolarHBondContact O-N 3.45Å; I4-I8 HydrophobicContact CG2-CB 3.86Å; I4-I8 HydrophobicContact CG2-CG2 3.8Å; I4-L9 HydrophobicContact CB-CD1 4.35Å; I4-L9 HydrophobicContact CB-CD2 4.08Å; I4-L9 HydrophobicContact CB-CG 3.97Å; I4-L9 HydrophobicContact CD1-CD2 4.07Å; I4-L9 HydrophobicContact CG2-CD2 3.97Å; I4-L9 HydrophobicContact CG2-CG 3.75Å
5P83.4Confident78Confident66 Ų66102.8 Ų102.843%0.42951%0.506SS..PPolyproline II helixtrans-51.3139174.5-26.933.2000111.3S3 E7 I8 L9S3-P5 WeakPolarHBondContact O-CD 3.47Å; P5-E7 WeakPolarHBondContact CB-OE2 3.06Å; P5-E7 PolarHBondContact O-N 3.43Å; P5-I8 HydrophobicContact CB-CD1 4.29Å; P5-I8 HydrophobicContact CB-CG1 4.22Å; P5-I8 HydrophobicContact CG-CD1 3.99Å; P5-I8 HydrophobicContact CG-CG1 4.46Å; P5-I8 PolarHBondContact O-N 2.86Å; P5-L9 PolarHBondContact O-N 3.48Å; P5-L9 VanDerWaalsContact O-N 3.08Å
6T79.9Confident78.7Confident51 Ų5198.8 Ų98.831%0.31349%0.487SS..Hα-helixtrans-58.3-34.6-174.8-62.40000112.1I4 I8 L9 Y10 L34I4-T6 PolarHBondContact O-N 3.45Å; T6-I8 VanDerWaalsContact C-N 3.35Å; T6-I8 PolarHBondContact O-N 3.01Å; T6-L9 WeakPolarHBondContact O-CB 3.31Å; T6-L9 PolarHBondContact O-N 3.2Å; T6-Y10 HydrophobicContact CG2-CD2 3.76Å; T6-Y10 HydrophobicContact CG2-CE2 3.45Å; T6-Y10 VanDerWaalsContact CG2-CE2 3.45Å; T6-Y10 WeakPolarHBondContact O-CD2 3.13Å; T6-Y10 PolarHBondContact O-N 3.46Å; T6-L34 HydrophobicContact CG2-CD1 4.49Å; T6-L34 HydrophobicContact CG2-CD2 3.49Å; T6-L34 VanDerWaalsContact CG2-CD2 3.49Å
7E81.9Confident79.2Confident130 Ų13097.9 Ų97.961%0.60749%0.485SS*.Hα-helixtrans-62.5-40.3176.5-57.377.6-171.200111.9P5 Y10 Q11P5-E7 WeakPolarHBondContact CB-OE2 3.06Å; P5-E7 PolarHBondContact O-N 3.43Å; E7-Y10 PolarHBondContact O-N 3.2Å; E7-Q11 WeakPolarHBondContact O-CG 3.3Å; E7-Q11 PolarHBondContact O-N 3.1Å; E7-Q11 VanDerWaalsContact O-N 3.11Å
8I83.5Confident79.6Confident78 Ų7894.4 Ų94.440%0.447%0.468SS..Hα-helixtrans-70.3-41.5177-61.3-177.8000109.8I4 P5 T6 Y10 Q11 I12I4-I8 HydrophobicContact CG2-CB 3.86Å; I4-I8 HydrophobicContact CG2-CG2 3.8Å; P5-I8 HydrophobicContact CB-CD1 4.29Å; P5-I8 HydrophobicContact CB-CG1 4.22Å; P5-I8 HydrophobicContact CG-CD1 3.99Å; P5-I8 HydrophobicContact CG-CG1 4.46Å; P5-I8 PolarHBondContact O-N 2.86Å; T6-I8 VanDerWaalsContact C-N 3.35Å; T6-I8 PolarHBondContact O-N 3.01Å; I8-Y10 VanDerWaalsContact C-N 3.28Å; I8-Y10 PolarHBondContact O-N 3.24Å; I8-Q11 PolarHBondContact O-N 2.95Å; I8-I12 HydrophobicContact CG2-CD1 4.01Å; I8-I12 WeakPolarHBondContact O-CG1 3.4Å; I8-I12 PolarHBondContact O-N 2.89Å
9L83.6Confident80.1Confident11 Ų1194.5 Ų94.56%0.05847%0.47CS..Hα-helixtrans-57.9-41.7173.9-73.6171.5000111.5I4 P5 T6 I12 Y13 W31 L34I4-L9 HydrophobicContact CB-CD1 4.35Å; I4-L9 HydrophobicContact CB-CD2 4.08Å; I4-L9 HydrophobicContact CB-CG 3.97Å; I4-L9 HydrophobicContact CD1-CD2 4.07Å; I4-L9 HydrophobicContact CG2-CD2 3.97Å; I4-L9 HydrophobicContact CG2-CG 3.75Å; P5-L9 PolarHBondContact O-N 3.48Å; P5-L9 VanDerWaalsContact O-N 3.08Å; T6-L9 WeakPolarHBondContact O-CB 3.31Å; T6-L9 PolarHBondContact O-N 3.2Å; L9-I12 PolarHBondContact O-N 3.37Å; L9-Y13 WeakPolarHBondContact O-CB 3.48Å; L9-Y13 WeakPolarHBondContact O-CD1 3.32Å; L9-Y13 PolarHBondContact O-N 3.13Å; L9-W31 HydrophobicContact CD2-CZ2 4.47Å; L9-L34 HydrophobicContact CB-CD1 4.3Å; L9-L34 HydrophobicContact CD1-CD1 3.82Å
10Y82.5Confident80.5Confident62 Ų6292.9 Ų92.924%0.24346%0.463CS..Hα-helixtrans-61.8-43.2175.1-83.8-60.5000113.2T6 E7 I8 I12 Y13 N14 L34 D37 I40T6-Y10 HydrophobicContact CG2-CD2 3.76Å; T6-Y10 HydrophobicContact CG2-CE2 3.45Å; T6-Y10 VanDerWaalsContact CG2-CE2 3.45Å; T6-Y10 WeakPolarHBondContact O-CD2 3.13Å; T6-Y10 PolarHBondContact O-N 3.46Å; E7-Y10 PolarHBondContact O-N 3.2Å; I8-Y10 VanDerWaalsContact C-N 3.28Å; I8-Y10 PolarHBondContact O-N 3.24Å; Y10-I12 VanDerWaalsContact C-N 3.32Å; Y10-I12 PolarHBondContact O-N 3.42Å; Y10-Y13 PolarHBondContact O-N 2.84Å; Y10-N14 WeakPolarHBondContact O-CB 3.4Å; Y10-N14 PolarHBondContact O-N 2.92Å; Y10-N14 PolarHBondContact O-ND2 2.98Å; Y10-L34 HydrophobicContact CE1-CD2 4.32Å; Y10-L34 HydrophobicContact CE2-CD2 3.81Å; Y10-D37 HydrophobicContact CD1-CB 4.5Å; Y10-D37 HydrophobicContact CE1-CB 3.49Å; Y10-D37 VanDerWaalsContact CE1-CB 3.49Å; Y10-D37 WeakPolarHBondContact CE1-OD2 3.33Å; Y10-D37 PolarHBondContact OH-OD2 2.83Å; Y10-I40 HydrophobicContact CD1-CD1 4.21Å; Y10-I40 HydrophobicContact CD1-CG1 4.49Å; Y10-I40 HydrophobicContact CE1-CD1 4.27Å
11Q85.4Confident81Confident137 Ų13788.4 Ų88.464%0.6444%0.441SS*.Hα-helixtrans-61.5-42176.1-71.4179.11.600111.7E7 I8E7-Q11 WeakPolarHBondContact O-CG 3.3Å; E7-Q11 PolarHBondContact O-N 3.1Å; E7-Q11 VanDerWaalsContact O-N 3.11Å; I8-Q11 PolarHBondContact O-N 2.95Å
12I85.9Confident83.1Confident76 Ų7678.9 Ų78.939%0.3940%0.395SS..Hα-helixtrans-62.6-51.3175.5-65.3165.9000109.8I8 L9 Y10 N14 K15 L16I8-I12 HydrophobicContact CG2-CD1 4.01Å; I8-I12 WeakPolarHBondContact O-CG1 3.4Å; I8-I12 PolarHBondContact O-N 2.89Å; L9-I12 PolarHBondContact O-N 3.37Å; Y10-I12 VanDerWaalsContact C-N 3.32Å; Y10-I12 PolarHBondContact O-N 3.42Å; I12-N14 VanDerWaalsContact C-N 3.29Å; I12-N14 PolarHBondContact O-N 2.85Å; I12-K15 WeakPolarHBondContact O-CA 3.33Å; I12-K15 WeakPolarHBondContact O-CB 3.17Å; I12-K15 PolarHBondContact O-N 3.12Å; I12-L16 HydrophobicContact CG2-CD1 4.41Å; I12-L16 HydrophobicContact CG2-CG 4.32Å; I12-L16 WeakPolarHBondContact O-CG 3.32Å; I12-L16 PolarHBondContact O-N 2.77Å
13Y88.7Confident84.8Confident3 Ų372.4 Ų72.41%0.01238%0.376CS..Hα-helixtrans-60.6-36.4-176.6-76.912.1000112.8L9 Y10 K15 L16 L21 C24 W31 L34 I35 I40L9-Y13 WeakPolarHBondContact O-CB 3.48Å; L9-Y13 WeakPolarHBondContact O-CD1 3.32Å; L9-Y13 PolarHBondContact O-N 3.13Å; Y10-Y13 PolarHBondContact O-N 2.84Å; Y13-K15 PolarHBondContact O-N 2.6Å; Y13-L16 HydrophobicContact CD1-CD1 3.83Å; Y13-L16 HydrophobicContact CE1-CD1 4.32Å; Y13-L16 PolarHBondContact O-N 3.41Å; Y13-L21 HydrophobicContact CD2-CD2 4.44Å; Y13-L21 HydrophobicContact CG-CD2 4.11Å; Y13-C24 HydrophobicContact CE1-CB 4.33Å; Y13-W31 WeakPolarHBondContact OH-CB 3.38Å; Y13-L34 HydrophobicContact CD2-CB 4.35Å; Y13-L34 HydrophobicContact CE2-CB 3.85Å; Y13-I35 HydrophobicContact CD2-CG1 3.83Å; Y13-I35 HydrophobicContact CE2-CD1 4.18Å; Y13-I35 HydrophobicContact CE2-CG1 3.51Å; Y13-I40 HydrophobicContact CD2-CD1 3.89Å; Y13-I40 HydrophobicContact CG-CD1 4.42Å
14N85.2Confident85.4Confident74 Ų7468.1 Ų68.140%0.39635%0.346SS..Hα-helixtrans-62-27174.6-81.4-29.5000113.4Y10 I12 I40Y10-N14 WeakPolarHBondContact O-CB 3.4Å; Y10-N14 PolarHBondContact O-N 2.92Å; Y10-N14 PolarHBondContact O-ND2 2.98Å; I12-N14 VanDerWaalsContact C-N 3.29Å; I12-N14 PolarHBondContact O-N 2.85Å; N14-I40 WeakPolarHBondContact OD1-CA 3.4Å
15K87.6Confident86Confident188 Ų18864.9 Ų64.982%0.81733%0.331SS*.Hα-helixtrans-89.1-19.8177.6-60.3-60.2-176.4-178.50113.5I12 Y13I12-K15 WeakPolarHBondContact O-CA 3.33Å; I12-K15 WeakPolarHBondContact O-CB 3.17Å; I12-K15 PolarHBondContact O-N 3.12Å; Y13-K15 PolarHBondContact O-N 2.6Å
16L88.1Confident86.2Confident39 Ų3968.5 Ų68.520%0.20435%0.346CS..SBendtrans-66.7146-180-68.3-177.3000112.3I12 Y13 D20 L21 K44I12-L16 HydrophobicContact CG2-CD1 4.41Å; I12-L16 HydrophobicContact CG2-CG 4.32Å; I12-L16 WeakPolarHBondContact O-CG 3.32Å; I12-L16 PolarHBondContact O-N 2.77Å; Y13-L16 HydrophobicContact CD1-CD1 3.83Å; Y13-L16 HydrophobicContact CE1-CD1 4.32Å; Y13-L16 PolarHBondContact O-N 3.41Å; L16-D20 HydrophobicContact CB-CB 4.05Å; L16-D20 HydrophobicContact CD1-CB 4.28Å; L16-D20 HydrophobicContact CD2-CB 4.04Å; L16-D20 HydrophobicContact CG-CB 4.34Å; L16-L21 HydrophobicContact CB-CD2 4.11Å; L16-L21 HydrophobicContact CB-CG 3.9Å; L16-L21 HydrophobicContact CD1-CD2 4.3Å; L16-K44 PolarHBondContact O-NZ 3.29Å
17N88.1Confident86.5Confident83 Ų8370.5 Ų70.544%0.44436%0.358SS..  trans-73.1172.5169.275.843.2000110.1N19 D20 L21N17-N19 PolarHBondContact O-N 3.29Å; N17-N19 WeakPolarHBondContact OD1-CA 3.21Å; N17-N19 WeakPolarHBondContact OD1-CB 3.32Å; N17-N19 PolarHBondContact OD1-N 3.31Å; N17-D20 VanDerWaalsContact CG-CG 3.49Å; N17-D20 PolarHBondContact ND2-OD2 3.47Å; N17-D20 PolarHBondContact O-N 3.37Å; N17-D20 VanDerWaalsContact OD1-CG 3.23Å; N17-D20 PolarHBondContact OD1-N 3Å; N17-D20 PolarHBondContact OD1-OD2 2.94Å; N17-L21 WeakPolarHBondContact O-CG 3.46Å; N17-L21 PolarHBondContact O-N 3.29Å
18I86.8Confident86.6Confident36 Ų3666.8 Ų66.819%0.18535%0.345CS..Hα-helixtrans-68.5-34.5-175.2-62.1125.6000112.5L21 N22 Y96I18-L21 PolarHBondContact O-N 3.14Å; I18-N22 WeakPolarHBondContact O-CB 3.07Å; I18-N22 PolarHBondContact O-N 3.16Å; I18-N22 PolarHBondContact O-ND2 3.19Å; I18-Y96 HydrophobicContact CB-CE1 4.46Å; I18-Y96 HydrophobicContact CD1-CE1 3.72Å; I18-Y96 VanDerWaalsContact CD1-CZ 3.5Å; I18-Y96 WeakPolarHBondContact CD1-OH 3.49Å; I18-Y96 HydrophobicContact CG1-CE1 3.69Å; I18-Y96 HydrophobicContact CG2-CE1 3.98Å
19N87.9Confident86.7Confident96 Ų9671.9 Ų71.951%0.51337%0.365SS..Hα-helixtrans-67.9-43.4179.9-69.1-6.2000110N17 N22 N23N17-N19 PolarHBondContact O-N 3.29Å; N17-N19 WeakPolarHBondContact OD1-CA 3.21Å; N17-N19 WeakPolarHBondContact OD1-CB 3.32Å; N17-N19 PolarHBondContact OD1-N 3.31Å; N19-N22 PolarHBondContact O-N 3.23Å; N19-N23 VanDerWaalsContact O-CG 3.25Å; N19-N23 PolarHBondContact O-N 3.02Å; N19-N23 PolarHBondContact O-ND2 2.95Å
20D89.2Confident86.8Confident61 Ų6176.7 Ų76.733%0.32639%0.387SS..Hα-helixtrans-63-44.1176-59-22.4000111.1L16 N17 N22 N23 C24L16-D20 HydrophobicContact CB-CB 4.05Å; L16-D20 HydrophobicContact CD1-CB 4.28Å; L16-D20 HydrophobicContact CD2-CB 4.04Å; L16-D20 HydrophobicContact CG-CB 4.34Å; N17-D20 VanDerWaalsContact CG-CG 3.49Å; N17-D20 PolarHBondContact ND2-OD2 3.47Å; N17-D20 PolarHBondContact O-N 3.37Å; N17-D20 VanDerWaalsContact OD1-CG 3.23Å; N17-D20 PolarHBondContact OD1-N 3Å; N17-D20 PolarHBondContact OD1-OD2 2.94Å; D20-N22 VanDerWaalsContact C-N 3.34Å; D20-N22 PolarHBondContact O-N 2.84Å; D20-N23 PolarHBondContact O-N 3.19Å; D20-C24 PolarHBondContact O-N 3.24Å; D20-C24 PolarHBondContact O-SG 2.96Å
21L89.3Confident87Confident0 Ų077.2 Ų77.20%039%0.389CS..Hα-helixtrans-59.2-44.2174.1-75.6170000112.1Y13 L16 N17 I18 N23 C24 S25 I35 I40 K44Y13-L21 HydrophobicContact CD2-CD2 4.44Å; Y13-L21 HydrophobicContact CG-CD2 4.11Å; L16-L21 HydrophobicContact CB-CD2 4.11Å; L16-L21 HydrophobicContact CB-CG 3.9Å; L16-L21 HydrophobicContact CD1-CD2 4.3Å; N17-L21 WeakPolarHBondContact O-CG 3.46Å; N17-L21 PolarHBondContact O-N 3.29Å; I18-L21 PolarHBondContact O-N 3.14Å; L21-N23 VanDerWaalsContact C-N 3.33Å; L21-N23 PolarHBondContact O-N 3.03Å; L21-C24 PolarHBondContact O-N 3.02Å; L21-S25 PolarHBondContact O-N 2.95Å; L21-S25 VanDerWaalsContact O-N 3.11Å; L21-I35 HydrophobicContact CD2-CG1 4.46Å; L21-I35 VanDerWaalsContact O-CD1 3.26Å; L21-I35 WeakPolarHBondContact O-CD1 3.31Å; L21-I40 HydrophobicContact CD1-CG2 3.86Å; L21-I40 HydrophobicContact CD2-CG2 4.18Å; L21-K44 HydrophobicContact CD1-CD 4.25Å; L21-K44 VanDerWaalsContact CD1-CE 3.41Å
22N87.3Confident86.9Confident40 Ų4073.5 Ų73.521%0.21437%0.373CS..Hα-helixtrans-62.9-41.6176.4-76.3-31.3000111.5I18 N19 D20 S25 R93I18-N22 WeakPolarHBondContact O-CB 3.07Å; I18-N22 PolarHBondContact O-N 3.16Å; I18-N22 PolarHBondContact O-ND2 3.19Å; N19-N22 PolarHBondContact O-N 3.23Å; D20-N22 VanDerWaalsContact C-N 3.34Å; D20-N22 PolarHBondContact O-N 2.84Å; N22-S25 WeakPolarHBondContact O-CB 3.43Å; N22-S25 PolarHBondContact O-N 2.81Å; N22-S25 VanDerWaalsContact O-N 3.14Å; N22-S25 PolarHBondContact O-OG 3.24Å; N22-R93 PolarHBondContact OD1-NH2 3.1Å
23N89Confident86.9Confident97 Ų9776.7 Ų76.752%0.51939%0.386SS..Hα-helixtrans-62.9-42.7175.7-68.5-20.3000111.6N19 D20 L21 S25 L26N19-N23 VanDerWaalsContact O-CG 3.25Å; N19-N23 PolarHBondContact O-N 3.02Å; N19-N23 PolarHBondContact O-ND2 2.95Å; D20-N23 PolarHBondContact O-N 3.19Å; L21-N23 VanDerWaalsContact C-N 3.33Å; L21-N23 PolarHBondContact O-N 3.03Å; N23-S25 PolarHBondContact O-N 2.77Å; N23-L26 WeakPolarHBondContact O-CB 3.37Å; N23-L26 PolarHBondContact O-N 3.28Å
24C86.6Confident86.7Confident18 Ų1877.3 Ų77.312%0.12239%0.39CS..Hα-helixtrans-58.4-32.9174.6-68.30000112.3Y13 D20 L21 L26 V27 W31 I35Y13-C24 HydrophobicContact CE1-CB 4.33Å; D20-C24 PolarHBondContact O-N 3.24Å; D20-C24 PolarHBondContact O-SG 2.96Å; L21-C24 PolarHBondContact O-N 3.02Å; C24-L26 PolarHBondContact O-N 2.94Å; C24-V27 PolarHBondContact O-N 3.44Å; C24-W31 HydrophobicContact CB-CE3 3.82Å; C24-W31 HydrophobicContact CB-CZ3 4.19Å; C24-W31 WeakPolarHBondContact O-CB 3.47Å; C24-I35 VanDerWaalsContact C-CD1 3.46Å; C24-I35 HydrophobicContact CB-CD1 3.64Å
25S86.2Confident86.7Confident17 Ų1773.8 Ų73.812%0.11937%0.371CS..Hα-helixtrans-68.1-18.4178.571.60000114L21 N22 N23 R93L21-S25 PolarHBondContact O-N 2.95Å; L21-S25 VanDerWaalsContact O-N 3.11Å; N22-S25 WeakPolarHBondContact O-CB 3.43Å; N22-S25 PolarHBondContact O-N 2.81Å; N22-S25 VanDerWaalsContact O-N 3.14Å; N22-S25 PolarHBondContact O-OG 3.24Å; N23-S25 PolarHBondContact O-N 2.77Å; S25-R93 PolarHBondContact OG-NH2 2.92Å
26L87.9Confident86.6Confident141 Ų14166.7 Ų66.774%0.73834%0.342SS*.Hα-helixtrans-88.7-15.3178.7-57.9176000113N23 C24N23-L26 WeakPolarHBondContact O-CB 3.37Å; N23-L26 PolarHBondContact O-N 3.28Å; C24-L26 PolarHBondContact O-N 2.94Å
27V85.7Confident86.4Confident93 Ų9366.4 Ų66.456%0.56434%0.34SS*.Hα-helixtrans-69.6-50.8-172.9178.30000111.8C24 W31C24-V27 PolarHBondContact O-N 3.44Å; V27-W31 HydrophobicContact CB-CD2 4.27Å; V27-W31 HydrophobicContact CB-CE3 3.79Å; V27-W31 HydrophobicContact CB-CZ3 4.3Å; V27-W31 HydrophobicContact CG1-CD2 4.28Å; V27-W31 HydrophobicContact CG1-CE3 4.06Å; V27-W31 HydrophobicContact CG1-CZ3 4.31Å; V27-W31 HydrophobicContact CG2-CE3 3.88Å; V27-W31 HydrophobicContact CG2-CZ3 4.02Å
28C84.6Confident86.1Confident52 Ų5263.1 Ų63.135%0.35132%0.323SS..  trans-160.7166.7176.872.80000112.4Q30 W31 N32C28-Q30 VanDerWaalsContact C-N 3.33Å; C28-Q30 PolarHBondContact O-N 2.94Å; C28-W31 PolarHBondContact O-N 3.19Å; C28-W31 VanDerWaalsContact SG-CG 3.55Å; C28-W31 PolarHBondContact SG-N 2.82Å; C28-W31 VanDerWaalsContact SG-N 3.44Å; C28-N32 PolarHBondContact O-N 3.2Å; C28-N32 VanDerWaalsContact O-N 3.07Å
29K86.1Confident85.9Confident185 Ų18566.8 Ų66.880%0.80434%0.335SS*.Hα-helixtrans-58.6-40.6179.5-69.7-175.7-179.6178.50113.1N32 Q33K29-N32 PolarHBondContact O-N 3.4Å; K29-Q33 WeakPolarHBondContact O-CG 3.44Å; K29-Q33 PolarHBondContact O-N 3.32Å
30Q85.1Confident85.7Confident112 Ų11262.3 Ų62.352%0.52331%0.311SS..Hα-helixtrans-64.5-43.3-179.5-173.3-1806.200111.5C28 Q33 L34C28-Q30 VanDerWaalsContact C-N 3.33Å; C28-Q30 PolarHBondContact O-N 2.94Å; Q30-Q33 WeakPolarHBondContact O-CB 3.46Å; Q30-Q33 PolarHBondContact O-N 2.94Å; Q30-L34 WeakPolarHBondContact O-CG 3.48Å; Q30-L34 PolarHBondContact O-N 3.48Å
31W85.7Confident85.6Confident74 Ų7459.4 Ų59.428%0.2830%0.296SS..Hα-helixtrans-65.9-39.9177.1-75.627.8000111.5L9 Y13 C24 V27 C28 Q33 L34 I35L9-W31 HydrophobicContact CD2-CZ2 4.47Å; Y13-W31 WeakPolarHBondContact OH-CB 3.38Å; C24-W31 HydrophobicContact CB-CE3 3.82Å; C24-W31 HydrophobicContact CB-CZ3 4.19Å; C24-W31 WeakPolarHBondContact O-CB 3.47Å; V27-W31 HydrophobicContact CB-CD2 4.27Å; V27-W31 HydrophobicContact CB-CE3 3.79Å; V27-W31 HydrophobicContact CB-CZ3 4.3Å; V27-W31 HydrophobicContact CG1-CD2 4.28Å; V27-W31 HydrophobicContact CG1-CE3 4.06Å; V27-W31 HydrophobicContact CG1-CZ3 4.31Å; V27-W31 HydrophobicContact CG2-CE3 3.88Å; V27-W31 HydrophobicContact CG2-CZ3 4.02Å; C28-W31 PolarHBondContact O-N 3.19Å; C28-W31 VanDerWaalsContact SG-CG 3.55Å; C28-W31 PolarHBondContact SG-N 2.82Å; C28-W31 VanDerWaalsContact SG-N 3.44Å; W31-Q33 VanDerWaalsContact C-N 3.31Å; W31-Q33 PolarHBondContact O-N 3.24Å; W31-L34 PolarHBondContact O-N 3.12Å; W31-I35 WeakPolarHBondContact O-CD1 3.42Å; W31-I35 VanDerWaalsContact O-CG1 3.26Å; W31-I35 WeakPolarHBondContact O-CG1 3.29Å; W31-I35 PolarHBondContact O-N 3.15Å
32N84.9Confident85.4Confident59 Ų5960.8 Ų60.832%0.31630%0.303SS..Hα-helixtrans-61.9-37.3173.5-171.637.2000112.6C28 K29 N36 R93C28-N32 PolarHBondContact O-N 3.2Å; C28-N32 VanDerWaalsContact O-N 3.07Å; K29-N32 PolarHBondContact O-N 3.4Å; N32-N36 PolarHBondContact O-N 3.15Å; N32-N36 PolarHBondContact O-ND2 2.77Å; N32-R93 PolarHBondContact OD1-NH1 2.78Å
33Q85.3Confident85.2Confident142 Ų14262.3 Ų62.366%0.66432%0.315SS*.Hα-helixtrans-63.7-48.3173.6-75.4174.9-24.800111.6K29 Q30 W31 I35 N36K29-Q33 WeakPolarHBondContact O-CG 3.44Å; K29-Q33 PolarHBondContact O-N 3.32Å; Q30-Q33 WeakPolarHBondContact O-CB 3.46Å; Q30-Q33 PolarHBondContact O-N 2.94Å; W31-Q33 VanDerWaalsContact C-N 3.31Å; W31-Q33 PolarHBondContact O-N 3.24Å; Q33-I35 VanDerWaalsContact C-N 3.28Å; Q33-I35 PolarHBondContact O-N 3.32Å; Q33-N36 PolarHBondContact O-N 3.2Å
34L84.3Confident85.1Confident16 Ų1659.7 Ų59.78%0.08430%0.299CS..Hα-helixtrans-61.2-35.9178.1-67.8175.2000112.6T6 L9 Y10 Y13 Q30 W31 N36 D37 I40T6-L34 HydrophobicContact CG2-CD1 4.49Å; T6-L34 HydrophobicContact CG2-CD2 3.49Å; T6-L34 VanDerWaalsContact CG2-CD2 3.49Å; L9-L34 HydrophobicContact CB-CD1 4.3Å; L9-L34 HydrophobicContact CD1-CD1 3.82Å; Y10-L34 HydrophobicContact CE1-CD2 4.32Å; Y10-L34 HydrophobicContact CE2-CD2 3.81Å; Y13-L34 HydrophobicContact CD2-CB 4.35Å; Y13-L34 HydrophobicContact CE2-CB 3.85Å; Q30-L34 WeakPolarHBondContact O-CG 3.48Å; Q30-L34 PolarHBondContact O-N 3.48Å; W31-L34 PolarHBondContact O-N 3.12Å; L34-N36 VanDerWaalsContact C-N 3.26Å; L34-N36 PolarHBondContact O-N 3.2Å; L34-D37 VanDerWaalsContact O-CB 3.27Å; L34-D37 WeakPolarHBondContact O-CB 3.38Å; L34-D37 PolarHBondContact O-N 3.43Å; L34-I40 WeakPolarHBondContact O-CD1 3.36Å
35I85.8Confident85.1Confident0 Ų058.8 Ų58.80%029%0.293CS..Hα-helixtrans-65.1-31.7175.8-73.4158.7000111.6Y13 L21 C24 W31 Q33 D37 W41Y13-I35 HydrophobicContact CD2-CG1 3.83Å; Y13-I35 HydrophobicContact CE2-CD1 4.18Å; Y13-I35 HydrophobicContact CE2-CG1 3.51Å; L21-I35 HydrophobicContact CD2-CG1 4.46Å; L21-I35 VanDerWaalsContact O-CD1 3.26Å; L21-I35 WeakPolarHBondContact O-CD1 3.31Å; C24-I35 VanDerWaalsContact C-CD1 3.46Å; C24-I35 HydrophobicContact CB-CD1 3.64Å; W31-I35 WeakPolarHBondContact O-CD1 3.42Å; W31-I35 VanDerWaalsContact O-CG1 3.26Å; W31-I35 WeakPolarHBondContact O-CG1 3.29Å; W31-I35 PolarHBondContact O-N 3.15Å; Q33-I35 VanDerWaalsContact C-N 3.28Å; Q33-I35 PolarHBondContact O-N 3.32Å; I35-D37 PolarHBondContact O-N 3.31Å; I35-D37 VanDerWaalsContact O-N 3.09Å; I35-W41 HydrophobicContact CG2-CZ2 3.93Å; I35-W41 VanDerWaalsContact O-CD1 3.24Å; I35-W41 PolarHBondContact O-NE1 3.21Å
36N85.3Confident84.9Confident39 Ų3960.6 Ų60.621%0.20930%0.298CS..THydrogen-bonded Turntrans-80.222178.8-66.1-38.4000112.9N32 Q33 L34 G89N32-N36 PolarHBondContact O-N 3.15Å; N32-N36 PolarHBondContact O-ND2 2.77Å; Q33-N36 PolarHBondContact O-N 3.2Å; L34-N36 VanDerWaalsContact C-N 3.26Å; L34-N36 PolarHBondContact O-N 3.2Å; N36-G89 CarbonylContact O-C 3.34Å; N36-G89 WeakPolarHBondContact O-CA 3.23Å
37D83.7Confident84.7Confident33 Ų3360.7 Ų60.718%0.17629%0.292CS..  trans-77.3137.4171-164.6-59.1000111.3Y10 L34 I35 Y39 I40Y10-D37 HydrophobicContact CD1-CB 4.5Å; Y10-D37 HydrophobicContact CE1-CB 3.49Å; Y10-D37 VanDerWaalsContact CE1-CB 3.49Å; Y10-D37 WeakPolarHBondContact CE1-OD2 3.33Å; Y10-D37 PolarHBondContact OH-OD2 2.83Å; L34-D37 VanDerWaalsContact O-CB 3.27Å; L34-D37 WeakPolarHBondContact O-CB 3.38Å; L34-D37 PolarHBondContact O-N 3.43Å; I35-D37 PolarHBondContact O-N 3.31Å; I35-D37 VanDerWaalsContact O-N 3.09Å; D37-Y39 VanDerWaalsContact C-N 3.28Å; D37-Y39 PolarHBondContact O-N 3.05Å; D37-Y39 WeakPolarHBondContact OD1-CB 2.98Å; D37-Y39 WeakPolarHBondContact OD1-CD2 3.41Å; D37-Y39 PolarHBondContact OD1-N 3.05Å; D37-I40 HydrophobicContact CB-CD1 4.12Å; D37-I40 HydrophobicContact CB-CG1 4.36Å; D37-I40 PolarHBondContact O-N 3.29Å
38I82.1Confident84.7Confident15 Ų1558.5 Ų58.58%0.07728%0.275CS..Hα-helixtrans-61.6-35.3179.4-174.5149.5000112.4I40 W41 L42 L84 M92I38-I40 PolarHBondContact O-N 2.66Å; I38-W41 PolarHBondContact O-N 3.49Å; I38-L42 HydrophobicContact CG1-CB 4.13Å; I38-L42 WeakPolarHBondContact O-CB 3.28Å; I38-L42 PolarHBondContact O-N 3Å; I38-L84 HydrophobicContact CD1-CD1 3.66Å; I38-L84 HydrophobicContact CD1-CD2 3.63Å; I38-L84 HydrophobicContact CD1-CG 4.2Å; I38-L84 HydrophobicContact CG2-CD1 4.37Å; I38-M92 HydrophobicContact CD1-CE 4.07Å; I38-M92 HydrophobicContact CG1-CE 4.44Å
39Y81.4Confident84.7Confident113 Ų11356.3 Ų56.344%0.44326%0.26SS..Hα-helixtrans-65.6-26-176.9-66.9-67.3000113.4D37 P43 I81D37-Y39 VanDerWaalsContact C-N 3.28Å; D37-Y39 PolarHBondContact O-N 3.05Å; D37-Y39 WeakPolarHBondContact OD1-CB 2.98Å; D37-Y39 WeakPolarHBondContact OD1-CD2 3.41Å; D37-Y39 PolarHBondContact OD1-N 3.05Å; Y39-P43 WeakPolarHBondContact O-CD 3.37Å; Y39-I81 WeakPolarHBondContact OH-CD1 3.39Å; Y39-I81 WeakPolarHBondContact OH-CG1 3.32Å
40I84.5Confident84.4Confident2 Ų253.4 Ų53.41%0.0125%0.247CC..Hα-helixtrans-73.8-44.5176.2-63.1170.6000110.5Y10 Y13 N14 L21 L34 D37 I38 K44Y10-I40 HydrophobicContact CD1-CD1 4.21Å; Y10-I40 HydrophobicContact CD1-CG1 4.49Å; Y10-I40 HydrophobicContact CE1-CD1 4.27Å; Y13-I40 HydrophobicContact CD2-CD1 3.89Å; Y13-I40 HydrophobicContact CG-CD1 4.42Å; N14-I40 WeakPolarHBondContact OD1-CA 3.4Å; L21-I40 HydrophobicContact CD1-CG2 3.86Å; L21-I40 HydrophobicContact CD2-CG2 4.18Å; L34-I40 WeakPolarHBondContact O-CD1 3.36Å; D37-I40 HydrophobicContact CB-CD1 4.12Å; D37-I40 HydrophobicContact CB-CG1 4.36Å; D37-I40 PolarHBondContact O-N 3.29Å; I38-I40 PolarHBondContact O-N 2.66Å; I40-K44 WeakPolarHBondContact O-CD 3.34Å; I40-K44 WeakPolarHBondContact O-CE 3.46Å
41W86.9Confident84.1Confident0 Ų054.8 Ų54.80%025%0.252CS..Hα-helixtrans-91.4-27.9-170.5-66.6101000113.6I35 I38 K44 C45 M92 R93 Y96I35-W41 HydrophobicContact CG2-CZ2 3.93Å; I35-W41 VanDerWaalsContact O-CD1 3.24Å; I35-W41 PolarHBondContact O-NE1 3.21Å; I38-W41 PolarHBondContact O-N 3.49Å; W41-K44 HydrophobicContact CE3-CD 4.4Å; W41-K44 PolarHBondContact O-N 3.39Å; W41-C45 WeakPolarHBondContact O-CB 3.44Å; W41-C45 PolarHBondContact O-N 2.91Å; W41-C45 PolarHBondContact O-SG 2.7Å; W41-M92 HydrophobicContact CB-CB 3.75Å; W41-M92 HydrophobicContact CB-CG 3.45Å; W41-M92 VanDerWaalsContact CB-CG 3.45Å; W41-R93 HydrophobicContact CD2-CB 3.77Å; W41-R93 HydrophobicContact CD2-CG 4.08Å; W41-R93 HydrophobicContact CE3-CB 4.31Å; W41-R93 HydrophobicContact CE3-CG 4.35Å; W41-R93 HydrophobicContact CG-CB 4.07Å; W41-R93 HydrophobicContact CH2-CG 3.8Å; W41-R93 HydrophobicContact CZ2-CB 4.04Å; W41-R93 VanDerWaalsContact CZ2-CD 3.49Å; W41-R93 HydrophobicContact CZ2-CG 3.47Å; W41-R93 VanDerWaalsContact CZ2-CG 3.47Å; W41-R93 HydrophobicContact CZ3-CG 4.22Å; W41-Y96 HydrophobicContact CE3-CD1 4.22Å; W41-Y96 HydrophobicContact CE3-CD2 4.48Å; W41-Y96 AromaticContact CE3-CG 3.86Å; W41-Y96 HydrophobicContact CE3-CG 3.86Å; W41-Y96 AromaticContact CZ3-CD1 3.66Å; W41-Y96 HydrophobicContact CZ3-CD1 3.66Å; W41-Y96 HydrophobicContact CZ3-CE1 4.44Å; W41-Y96 AromaticContact CZ3-CG 3.79Å; W41-Y96 HydrophobicContact CZ3-CG 3.79Å
42L84.3Confident83.9Confident29 Ų2952.5 Ų52.515%0.15225%0.246CC..Hα-helixtrans-56.4-53.3-177.7175.170000111.9I38 K44 C45 Y46 F74 M92I38-L42 HydrophobicContact CG1-CB 4.13Å; I38-L42 WeakPolarHBondContact O-CB 3.28Å; I38-L42 PolarHBondContact O-N 3Å; L42-K44 VanDerWaalsContact C-N 3.28Å; L42-K44 PolarHBondContact O-N 3.39Å; L42-C45 PolarHBondContact O-N 3.12Å; L42-Y46 WeakPolarHBondContact O-CB 3.28Å; L42-Y46 PolarHBondContact O-N 3.19Å; L42-F74 HydrophobicContact CD1-CD2 3.48Å; L42-F74 VanDerWaalsContact CD1-CD2 3.48Å; L42-F74 HydrophobicContact CD1-CE2 3.05Å; L42-F74 HydrophobicContact CD1-CZ 3.8Å; L42-M92 HydrophobicContact CD1-CE 4.2Å
43P83.4Confident83.7Confident72 Ų7256.8 Ų56.847%0.46826%0.258SS..Hα-helixtrans-63.6-33.2178.1-20.533.2000113.1Y39 K47Y39-P43 WeakPolarHBondContact O-CD 3.37Å; P43-K47 WeakPolarHBondContact O-CB 3.01Å; P43-K47 PolarHBondContact O-N 3.39Å
44K86.6Confident83.8Confident41 Ų4151.8 Ų51.818%0.17823%0.233CC..Hα-helixtrans-70.8-44.2179.5-63179.6-164.5-81.40111.1L16 L21 I40 W41 L42 K48 Y96L16-K44 PolarHBondContact O-NZ 3.29Å; L21-K44 HydrophobicContact CD1-CD 4.25Å; L21-K44 VanDerWaalsContact CD1-CE 3.41Å; I40-K44 WeakPolarHBondContact O-CD 3.34Å; I40-K44 WeakPolarHBondContact O-CE 3.46Å; W41-K44 HydrophobicContact CE3-CD 4.4Å; W41-K44 PolarHBondContact O-N 3.39Å; L42-K44 VanDerWaalsContact C-N 3.28Å; L42-K44 PolarHBondContact O-N 3.39Å; K44-K48 PolarHBondContact O-N 2.93Å; K44-Y96 HydrophobicContact CB-CD2 3.89Å; K44-Y96 HydrophobicContact CB-CE2 3.87Å
45C87.1Confident83.9Confident0 Ų051.1 Ų51.10%023%0.23CC..Hα-helixtrans-63.6-46.1174.6-69.30000111W41 L42 K47 K48 L49 F74 M92W41-C45 WeakPolarHBondContact O-CB 3.44Å; W41-C45 PolarHBondContact O-N 2.91Å; W41-C45 PolarHBondContact O-SG 2.7Å; L42-C45 PolarHBondContact O-N 3.12Å; C45-K47 PolarHBondContact O-N 3.25Å; C45-K48 CarbonylContact O-C 3.59Å; C45-K48 PolarHBondContact O-N 2.82Å; C45-L49 WeakPolarHBondContact O-CB 3.32Å; C45-L49 WeakPolarHBondContact O-CG 3.44Å; C45-L49 PolarHBondContact O-N 3.45Å; C45-F74 HydrophobicContact CB-CZ 4.4Å; C45-M92 HydrophobicContact CB-CG 4.31Å; C45-M92 HydrophobicContact CB-SD 3.75Å; C45-M92 VanDerWaalsContact SG-CG 3.59Å; C45-M92 PolarHBondContact SG-O 3.01Å; C45-M92 VanDerWaalsContact SG-SD 3.61Å
46Y83.3Confident83.9Confident54 Ų5451.6 Ų51.621%0.21223%0.233CC..Hα-helixtrans-53.9-51.6175.8176.3-97.8000112.4L42 K48 L49 K50 F74 L75L42-Y46 WeakPolarHBondContact O-CB 3.28Å; L42-Y46 PolarHBondContact O-N 3.19Å; Y46-K48 PolarHBondContact O-N 3.11Å; Y46-L49 PolarHBondContact O-N 2.75Å; Y46-K50 HydrophobicContact CD1-CD 4.32Å; Y46-K50 HydrophobicContact CE1-CD 3.71Å; Y46-K50 VanDerWaalsContact CE1-CE 3.48Å; Y46-K50 HydrophobicContact CE1-CG 4.46Å; Y46-K50 VanDerWaalsContact CZ-NZ 3.34Å; Y46-K50 PolarHBondContact O-N 3.38Å; Y46-K50 WeakPolarHBondContact OH-CE 3.47Å; Y46-K50 PolarHBondContact OH-NZ 3.4Å; Y46-F74 HydrophobicContact CD2-CE1 4.44Å; Y46-L75 HydrophobicContact CD2-CD2 3.56Å; Y46-L75 HydrophobicContact CE2-CB 3.98Å; Y46-L75 HydrophobicContact CE2-CD2 3.34Å; Y46-L75 HydrophobicContact CE2-CG 4.19Å
47K83.8Confident83.7Confident144 Ų14453.1 Ų53.163%0.62624%0.238SC*.Hα-helixtrans-60.6-31.4178.6-174175.3-178.9176.30112.4P43 C45P43-K47 WeakPolarHBondContact O-CB 3.01Å; P43-K47 PolarHBondContact O-N 3.39Å; C45-K47 PolarHBondContact O-N 3.25Å
48K85.1Confident83.7Confident46 Ų4654 Ų5420%0.225%0.245CC..Hα-helixtrans-79.5-44.1178.8-164.571.4174.1-178.70111.7K44 C45 Y46 K50 K51 T52 Y96 L99 S103K44-K48 PolarHBondContact O-N 2.93Å; C45-K48 CarbonylContact O-C 3.59Å; C45-K48 PolarHBondContact O-N 2.82Å; Y46-K48 PolarHBondContact O-N 3.11Å; K48-K50 VanDerWaalsContact C-N 3.31Å; K48-K50 PolarHBondContact O-N 2.99Å; K48-K51 WeakPolarHBondContact O-CA 3.48Å; K48-K51 WeakPolarHBondContact O-CB 3.3Å; K48-K51 PolarHBondContact O-N 3.19Å; K48-T52 PolarHBondContact O-N 2.52Å; K48-Y96 HydrophobicContact CB-CE2 4.28Å; K48-L99 HydrophobicContact CB-CD1 4.25Å; K48-L99 VanDerWaalsContact CE-O 3.3Å; K48-L99 WeakPolarHBondContact CE-O 3.42Å; K48-L99 HydrophobicContact CG-CB 3.66Å; K48-L99 HydrophobicContact CG-CD1 4.24Å; K48-S103 WeakPolarHBondContact CE-OG 3.24Å; K48-S103 PolarHBondContact NZ-OG 2.95Å
49L83.3Confident84Confident6 Ų653.3 Ų53.33%0.03124%0.242CC..Hα-helixtrans-61.6-35.7175.7-76.3169.1000112.5C45 Y46 K51 T52 M55 I59 F74 L95 L99C45-L49 WeakPolarHBondContact O-CB 3.32Å; C45-L49 WeakPolarHBondContact O-CG 3.44Å; C45-L49 PolarHBondContact O-N 3.45Å; Y46-L49 PolarHBondContact O-N 2.75Å; L49-K51 PolarHBondContact O-N 3.39Å; L49-K51 VanDerWaalsContact O-N 3.11Å; L49-T52 WeakPolarHBondContact CA-OG1 3.38Å; L49-T52 PolarHBondContact O-N 3.46Å; L49-T52 VanDerWaalsContact O-N 3.15Å; L49-T52 PolarHBondContact O-OG1 2.93Å; L49-M55 HydrophobicContact CD2-CE 4.28Å; L49-I59 HydrophobicContact CD2-CG2 4.25Å; L49-F74 HydrophobicContact CD1-CE1 3.56Å; L49-F74 HydrophobicContact CD1-CZ 3.86Å; L49-L95 HydrophobicContact CD1-CD2 4.45Å; L49-L99 HydrophobicContact CD2-CD1 3.77Å; L49-L99 HydrophobicContact CD2-CD2 3.73Å; L49-L99 HydrophobicContact CD2-CG 4.41Å; L49-L99 HydrophobicContact CG-CD1 3.71Å
50K80.6Confident84Confident125 Ų12548 Ų4854%0.54322%0.221SC..THydrogen-bonded Turntrans-60-20.7171.1-83.3-169.8163.7-178.70114.2Y46 K48 I298Y46-K50 HydrophobicContact CD1-CD 4.32Å; Y46-K50 HydrophobicContact CE1-CD 3.71Å; Y46-K50 VanDerWaalsContact CE1-CE 3.48Å; Y46-K50 HydrophobicContact CE1-CG 4.46Å; Y46-K50 VanDerWaalsContact CZ-NZ 3.34Å; Y46-K50 PolarHBondContact O-N 3.38Å; Y46-K50 WeakPolarHBondContact OH-CE 3.47Å; Y46-K50 PolarHBondContact OH-NZ 3.4Å; K48-K50 VanDerWaalsContact C-N 3.31Å; K48-K50 PolarHBondContact O-N 2.99Å; K50-I298 HydrophobicContact CG-CD1 4.38Å
51K79.3Confident84Confident141 Ų14151.6 Ų51.661%0.61324%0.239SC*.THydrogen-bonded Turntrans-102-5.9-180-63.4-176.6175.1-161.30112.9K48 L49K48-K51 WeakPolarHBondContact O-CA 3.48Å; K48-K51 WeakPolarHBondContact O-CB 3.3Å; K48-K51 PolarHBondContact O-N 3.19Å; L49-K51 PolarHBondContact O-N 3.39Å; L49-K51 VanDerWaalsContact O-N 3.11Å
52T80.6Confident83.9Confident26 Ų2652.2 Ų52.216%0.1624%0.243CC..  trans-82.5136.2177.550.10000110.4K48 L49 W54 L99 L297K48-T52 PolarHBondContact O-N 2.52Å; L49-T52 WeakPolarHBondContact CA-OG1 3.38Å; L49-T52 PolarHBondContact O-N 3.46Å; L49-T52 VanDerWaalsContact O-N 3.15Å; L49-T52 PolarHBondContact O-OG1 2.93Å; T52-W54 VanDerWaalsContact C-N 3.31Å; T52-L99 HydrophobicContact CG2-CD2 3.79Å; T52-L297 WeakPolarHBondContact O-CD2 3.43Å
53Y81.8Confident83.9Confident148 Ų14850.9 Ų50.958%0.5824%0.235SC*.SBendtrans-87.6-5.5176.5-61.1-72.9000113W333 L334Y53-W333 CarbonylContact O-C 3.56Å; Y53-W333 WeakPolarHBondContact O-CA 3.42Å; Y53-L334 PolarHBondContact O-N 3.02Å
54W86.8Confident83.8Confident37 Ų3750.9 Ų50.914%0.1423%0.228CC..EExtended strand (participates in β ladder)trans-151159.7-175.660.7-102.2000114.9T52 D56 I59 L102 L297 R331 I332 W333T52-W54 VanDerWaalsContact C-N 3.31Å; W54-D56 HydrophobicContact CE3-CB 4.43Å; W54-D56 HydrophobicContact CZ3-CB 4.06Å; W54-D56 VanDerWaalsContact CZ3-OD2 3.27Å; W54-D56 WeakPolarHBondContact CZ3-OD2 3.44Å; W54-I59 HydrophobicContact CE3-CD1 4.24Å; W54-I59 HydrophobicContact CZ3-CD1 3.98Å; W54-L102 HydrophobicContact CH2-CB 4.45Å; W54-L102 HydrophobicContact CH2-CD1 3.11Å; W54-L102 HydrophobicContact CH2-CD2 3.45Å; W54-L102 VanDerWaalsContact CH2-CD2 3.45Å; W54-L102 HydrophobicContact CH2-CG 3.77Å; W54-L102 HydrophobicContact CZ2-CB 4.06Å; W54-L102 HydrophobicContact CZ2-CD1 3.49Å; W54-L102 VanDerWaalsContact CZ2-CD1 3.49Å; W54-L102 HydrophobicContact CZ2-CD2 3.58Å; W54-L102 HydrophobicContact CZ2-CG 3.86Å; W54-L102 HydrophobicContact CZ3-CD1 3.8Å; W54-L297 VanDerWaalsContact C-CD2 3.44Å; W54-R331 HydrophobicContact CB-CG 4.4Å; W54-R331 HydrophobicContact CE3-CG 4.08Å; W54-R331 VanDerWaalsContact CH2-NH2 3.26Å; W54-I332 CarbonylContact C-O 3.55Å; W54-I332 WeakPolarHBondContact CA-O 3.13Å; W54-I332 VanDerWaalsContact CB-O 3.26Å; W54-I332 WeakPolarHBondContact CB-O 3.49Å; W54-W333 HydrophobicContact CB-CB 4.28Å; W54-W333 HydrophobicContact CB-CD2 3.88Å; W54-W333 HydrophobicContact CB-CG 3.49Å; W54-W333 VanDerWaalsContact CB-CG 3.49Å; W54-W333 AromaticContact CD1-CE2 3.63Å; W54-W333 AromaticContact CD1-CZ2 3.83Å; W54-W333 AromaticContact CD1-NE1 3.74Å; W54-W333 AromaticContact CD2-NE1 3.99Å; W54-W333 AromaticContact CG-CD1 3.88Å; W54-W333 HydrophobicContact CG-CD2 4.27Å; W54-W333 AromaticContact CG-CE2 3.72Å; W54-W333 HydrophobicContact CG-CG 4.36Å; W54-W333 HydrophobicContact CG-CZ2 4.26Å; W54-W333 AromaticContact CG-NE1 3.33Å; W54-W333 VanDerWaalsContact CG-NE1 3.33Å
55M87.2Confident83.6Confident2 Ų252.2 Ų52.21%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-136.9134.5175.4-170.7165.5-64.900110.7L49 I59 L60 I71 L297 V301 R331 I332L49-M55 HydrophobicContact CD2-CE 4.28Å; M55-I59 HydrophobicContact CE-CG2 3.84Å; M55-I59 HydrophobicContact CG-CB 3.93Å; M55-I59 HydrophobicContact CG-CD1 4.4Å; M55-I59 HydrophobicContact CG-CG2 3.75Å; M55-I59 HydrophobicContact SD-CG2 3.97Å; M55-L60 HydrophobicContact CG-CD2 4.22Å; M55-L60 HydrophobicContact CG-CG 4.38Å; M55-L60 HydrophobicContact SD-CD2 3.45Å; M55-L60 WeakPolarHBondContact SD-CD2 3.33Å; M55-L60 HydrophobicContact SD-CG 4.23Å; M55-I71 HydrophobicContact CE-CD1 3.43Å; M55-I71 VanDerWaalsContact CE-CD1 3.43Å; M55-I71 HydrophobicContact SD-CD1 3.85Å; M55-L297 HydrophobicContact CB-CD2 4.32Å; M55-V301 HydrophobicContact CB-CG2 4.23Å; M55-V301 HydrophobicContact SD-CB 4.5Å; M55-V301 HydrophobicContact SD-CG1 3.84Å; M55-V301 HydrophobicContact SD-CG2 3.94Å; M55-R331 VanDerWaalsContact O-CG 3.22Å; M55-R331 WeakPolarHBondContact O-CG 3.45Å; M55-I332 PolarHBondContact N-O 2.91Å; M55-I332 PolarHBondContact O-N 2.82Å
56D85.2Confident83.3Confident11 Ų1152.2 Ų52.26%0.05924%0.237CC..EExtended strand (participates in β ladder)trans-121.6-178.8173.965.912.2000112.3W54 T58 I59 L60 Y98 R331W54-D56 HydrophobicContact CE3-CB 4.43Å; W54-D56 HydrophobicContact CZ3-CB 4.06Å; W54-D56 VanDerWaalsContact CZ3-OD2 3.27Å; W54-D56 WeakPolarHBondContact CZ3-OD2 3.44Å; D56-T58 VanDerWaalsContact C-N 3.26Å; D56-T58 PolarHBondContact O-N 3.26Å; D56-T58 WeakPolarHBondContact OD1-CB 3.47Å; D56-T58 PolarHBondContact OD1-N 3.43Å; D56-T58 VanDerWaalsContact OD1-N 3.12Å; D56-I59 PolarHBondContact O-N 3.15Å; D56-I59 PolarHBondContact OD1-N 3.15Å; D56-I59 VanDerWaalsContact OD1-N 3.14Å; D56-L60 PolarHBondContact O-N 2.91Å; D56-Y98 PolarHBondContact OD2-OH 3.47Å; D56-Y98 VanDerWaalsContact OD2-OH 3.14Å; D56-R331 HydrophobicContact CB-CG 3.93Å; D56-R331 IonicContact OD2-CZ 3.66Å; D56-R331 IonicContact OD2-NE 2.75Å; D56-R331 IonicContact OD2-NH2 3.93Å; D56-R331 PolarHBondContact OD2-NH2 3.21Å
57E81.9Confident83Confident70 Ų7050.3 Ų50.333%0.32723%0.234SC..Hα-helixtrans-56.2-38.6178.5-166.9-174.7179.200112.8I59 L60 I61 W330E57-I59 PolarHBondContact O-N 3.33Å; E57-L60 PolarHBondContact O-N 3.47Å; E57-L60 VanDerWaalsContact O-N 3.16Å; E57-I61 HydrophobicContact CG-CD1 3.83Å; E57-I61 HydrophobicContact CG-CG1 4.24Å; E57-I61 VanDerWaalsContact O-CG1 3.32Å; E57-I61 WeakPolarHBondContact O-CG1 3.27Å; E57-I61 PolarHBondContact O-N 2.89Å; E57-W330 HydrophobicContact CB-CZ2 4.15Å
58T83.5Confident82.7Confident52 Ų5243.4 Ų43.432%0.31920%0.204SC..Hα-helixtrans-61.8-44.6-179.3-56.40000111.2D56 L60 I61 L62 Y98D56-T58 VanDerWaalsContact C-N 3.26Å; D56-T58 PolarHBondContact O-N 3.26Å; D56-T58 WeakPolarHBondContact OD1-CB 3.47Å; D56-T58 PolarHBondContact OD1-N 3.43Å; D56-T58 VanDerWaalsContact OD1-N 3.12Å; T58-L60 VanDerWaalsContact C-N 3.32Å; T58-L60 PolarHBondContact O-N 3.42Å; T58-I61 PolarHBondContact O-N 2.81Å; T58-L62 HydrophobicContact CG2-CD1 4.19Å; T58-L62 WeakPolarHBondContact O-CG 3.38Å; T58-L62 PolarHBondContact O-N 2.82Å; T58-Y98 HydrophobicContact CG2-CD1 4.25Å; T58-Y98 HydrophobicContact CG2-CD2 4.17Å; T58-Y98 HydrophobicContact CG2-CE1 3.88Å; T58-Y98 HydrophobicContact CG2-CE2 3.82Å; T58-Y98 HydrophobicContact CG2-CG 4.39Å
59I86.7Confident82.2Confident0 Ų044.5 Ų44.50%021%0.212CC..Hα-helixtrans-61.1-44.6176.2-68169.9000110.2L49 W54 M55 D56 E57 L62 L63 L95 Y98 L99 L102L49-I59 HydrophobicContact CD2-CG2 4.25Å; W54-I59 HydrophobicContact CE3-CD1 4.24Å; W54-I59 HydrophobicContact CZ3-CD1 3.98Å; M55-I59 HydrophobicContact CE-CG2 3.84Å; M55-I59 HydrophobicContact CG-CB 3.93Å; M55-I59 HydrophobicContact CG-CD1 4.4Å; M55-I59 HydrophobicContact CG-CG2 3.75Å; M55-I59 HydrophobicContact SD-CG2 3.97Å; D56-I59 PolarHBondContact O-N 3.15Å; D56-I59 PolarHBondContact OD1-N 3.15Å; D56-I59 VanDerWaalsContact OD1-N 3.14Å; E57-I59 PolarHBondContact O-N 3.33Å; I59-L62 PolarHBondContact O-N 2.89Å; I59-L63 HydrophobicContact CG2-CD1 4.03Å; I59-L63 HydrophobicContact CG2-CG 4.5Å; I59-L63 WeakPolarHBondContact O-CG 3.34Å; I59-L63 PolarHBondContact O-N 3.28Å; I59-L95 HydrophobicContact CB-CD1 4.42Å; I59-L95 HydrophobicContact CG1-CD1 4.33Å; I59-L95 HydrophobicContact CG2-CD1 4.03Å; I59-Y98 HydrophobicContact CD1-CE1 4.28Å; I59-Y98 HydrophobicContact CG1-CD1 3.9Å; I59-Y98 HydrophobicContact CG1-CE1 3.74Å; I59-L99 HydrophobicContact CD1-CD2 3.86Å; I59-L99 HydrophobicContact CG1-CD2 4.29Å; I59-L102 HydrophobicContact CD1-CD1 4.41Å
60L82.9Confident81.9Confident3 Ų346.3 Ų46.32%0.01622%0.221CC..Hα-helixtrans-65.1-41.7179.1-68.7-170.3000113.3M55 D56 E57 T58 L62 L63 K64 L308 F309 W330M55-L60 HydrophobicContact CG-CD2 4.22Å; M55-L60 HydrophobicContact CG-CG 4.38Å; M55-L60 HydrophobicContact SD-CD2 3.45Å; M55-L60 WeakPolarHBondContact SD-CD2 3.33Å; M55-L60 HydrophobicContact SD-CG 4.23Å; D56-L60 PolarHBondContact O-N 2.91Å; E57-L60 PolarHBondContact O-N 3.47Å; E57-L60 VanDerWaalsContact O-N 3.16Å; T58-L60 VanDerWaalsContact C-N 3.32Å; T58-L60 PolarHBondContact O-N 3.42Å; L60-L62 VanDerWaalsContact C-N 3.31Å; L60-L62 PolarHBondContact O-N 2.85Å; L60-L63 HydrophobicContact CD2-CD1 4.39Å; L60-L63 PolarHBondContact O-N 3.38Å; L60-K64 WeakPolarHBondContact O-CB 3.47Å; L60-K64 WeakPolarHBondContact O-CG 3.46Å; L60-K64 PolarHBondContact O-N 2.68Å; L60-L308 HydrophobicContact CD1-CB 3.66Å; L60-L308 HydrophobicContact CD1-CD1 4.47Å; L60-L308 HydrophobicContact CD1-CD2 4Å; L60-L308 HydrophobicContact CD1-CG 4.24Å; L60-F309 HydrophobicContact CD2-CE1 4.26Å; L60-F309 HydrophobicContact CD2-CE2 3.82Å; L60-F309 HydrophobicContact CD2-CZ 3.55Å; L60-W330 HydrophobicContact CD1-CH2 3.31Å; L60-W330 HydrophobicContact CD1-CZ2 3.61Å; L60-W330 HydrophobicContact CD1-CZ3 4.5Å; L60-W330 HydrophobicContact CG-CH2 4.08Å
61I82.9Confident81.6Confident77 Ų7740.4 Ų40.440%0.39520%0.196SC..Hα-helixtrans-59.9-46176.1-71.7167.9000109.6E57 T58 L63 K64 L65E57-I61 HydrophobicContact CG-CD1 3.83Å; E57-I61 HydrophobicContact CG-CG1 4.24Å; E57-I61 VanDerWaalsContact O-CG1 3.32Å; E57-I61 WeakPolarHBondContact O-CG1 3.27Å; E57-I61 PolarHBondContact O-N 2.89Å; T58-I61 PolarHBondContact O-N 2.81Å; I61-L63 VanDerWaalsContact C-N 3.33Å; I61-L63 PolarHBondContact O-N 3.2Å; I61-K64 PolarHBondContact O-N 3.41Å; I61-L65 HydrophobicContact CG2-CD1 3.87Å; I61-L65 HydrophobicContact CG2-CG 4.32Å; I61-L65 WeakPolarHBondContact O-CB 3.31Å; I61-L65 VanDerWaalsContact O-CG 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.43Å; I61-L65 PolarHBondContact O-N 2.78Å
62L85.4Confident81.3Confident13 Ų1338.2 Ų38.27%0.06819%0.188CC..Hα-helixtrans-63.8-38.6178.6-70.3170.5000112.2T58 I59 L60 L65 C66 K94 L95 Y98T58-L62 HydrophobicContact CG2-CD1 4.19Å; T58-L62 WeakPolarHBondContact O-CG 3.38Å; T58-L62 PolarHBondContact O-N 2.82Å; I59-L62 PolarHBondContact O-N 2.89Å; L60-L62 VanDerWaalsContact C-N 3.31Å; L60-L62 PolarHBondContact O-N 2.85Å; L62-L65 PolarHBondContact O-N 3.02Å; L62-C66 PolarHBondContact O-N 2.82Å; L62-C66 PolarHBondContact O-SG 2.88Å; L62-K94 HydrophobicContact CD2-CB 4.04Å; L62-L95 HydrophobicContact CB-CB 4.15Å; L62-L95 HydrophobicContact CB-CD1 4.13Å; L62-L95 HydrophobicContact CD1-CB 4.23Å; L62-L95 HydrophobicContact CD1-CD1 4.13Å; L62-Y98 HydrophobicContact CD1-CG 4.5Å
63L84.1Confident80.7Confident0 Ų040.1 Ų40.10%020%0.197CC..Hα-helixtrans-63.2-47.9173-71.6170.7000111.5I59 L60 I61 L65 C66 G67 I68 I71 F74 L95I59-L63 HydrophobicContact CG2-CD1 4.03Å; I59-L63 HydrophobicContact CG2-CG 4.5Å; I59-L63 WeakPolarHBondContact O-CG 3.34Å; I59-L63 PolarHBondContact O-N 3.28Å; L60-L63 HydrophobicContact CD2-CD1 4.39Å; L60-L63 PolarHBondContact O-N 3.38Å; I61-L63 VanDerWaalsContact C-N 3.33Å; I61-L63 PolarHBondContact O-N 3.2Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 3.48Å; L63-C66 WeakPolarHBondContact O-CA 3.16Å; L63-C66 VanDerWaalsContact O-CB 3.28Å; L63-C66 WeakPolarHBondContact O-CB 3.39Å; L63-C66 PolarHBondContact O-N 3.13Å; L63-G67 PolarHBondContact O-N 2.77Å; L63-I68 CarbonylContact C-O 3.55Å; L63-I68 HydrophobicContact CB-CB 4.24Å; L63-I68 HydrophobicContact CB-CG2 4.41Å; L63-I68 HydrophobicContact CD2-CB 4.47Å; L63-I68 HydrophobicContact CD2-CD1 3.87Å; L63-I68 HydrophobicContact CD2-CG2 4.33Å; L63-I68 WeakPolarHBondContact O-CB 3.21Å; L63-I68 PolarHBondContact O-N 3.3Å; L63-I71 HydrophobicContact CD1-CD1 4.31Å; L63-F74 HydrophobicContact CD2-CE2 4.33Å; L63-F74 HydrophobicContact CD2-CZ 4.49Å; L63-L95 HydrophobicContact CD2-CD2 3.68Å; L63-L95 HydrophobicContact CG-CD2 4.18Å
64K81.1Confident80Confident73 Ų7333.2 Ų33.232%0.31717%0.17SC..Hα-helixtrans-58.9-42.1176.6-74.1174.5-176.9169.60112.1L60 I61 C66 G67 L308 F309L60-K64 WeakPolarHBondContact O-CB 3.47Å; L60-K64 WeakPolarHBondContact O-CG 3.46Å; L60-K64 PolarHBondContact O-N 2.68Å; I61-K64 PolarHBondContact O-N 3.41Å; K64-C66 PolarHBondContact O-N 2.87Å; K64-G67 WeakPolarHBondContact O-CA 3.46Å; K64-G67 PolarHBondContact O-N 2.8Å; K64-L308 PolarHBondContact NZ-O 2.81Å; K64-F309 HydrophobicContact CD-CD1 4.44Å; K64-F309 HydrophobicContact CG-CD1 4.01Å; K64-F309 HydrophobicContact CG-CE1 4.16Å
65L83.3Confident79Confident68 Ų6833.1 Ų33.136%0.35617%0.171SC..Hα-helixtrans-64.3-22176-71.6172.1000113.3I61 L62 L63 G67 H85 Y91I61-L65 HydrophobicContact CG2-CD1 3.87Å; I61-L65 HydrophobicContact CG2-CG 4.32Å; I61-L65 WeakPolarHBondContact O-CB 3.31Å; I61-L65 VanDerWaalsContact O-CG 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.43Å; I61-L65 PolarHBondContact O-N 2.78Å; L62-L65 PolarHBondContact O-N 3.02Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 3.48Å; L65-G67 VanDerWaalsContact C-N 3.29Å; L65-H85 WeakPolarHBondContact O-CB 3.28Å; L65-Y91 HydrophobicContact CB-CD1 3.95Å; L65-Y91 HydrophobicContact CB-CD2 3.81Å; L65-Y91 HydrophobicContact CB-CE1 4.22Å; L65-Y91 HydrophobicContact CB-CE2 4.06Å; L65-Y91 HydrophobicContact CB-CG 3.75Å; L65-Y91 HydrophobicContact CD1-CD1 3.94Å; L65-Y91 HydrophobicContact CD1-CE1 3.83Å; L65-Y91 HydrophobicContact CG-CE1 4.45Å; L65-Y91 VanDerWaalsContact O-CD2 3.22Å; L65-Y91 WeakPolarHBondContact O-CD2 3.26Å
66C81Confident77.9Confident0 Ų036.9 Ų36.90%019%0.189CC..THydrogen-bonded Turntrans-78-12.8170.3-61.30000113.1L62 L63 K64 I68 L84 H85 S88 Y91 M92L62-C66 PolarHBondContact O-N 2.82Å; L62-C66 PolarHBondContact O-SG 2.88Å; L63-C66 WeakPolarHBondContact O-CA 3.16Å; L63-C66 VanDerWaalsContact O-CB 3.28Å; L63-C66 WeakPolarHBondContact O-CB 3.39Å; L63-C66 PolarHBondContact O-N 3.13Å; K64-C66 PolarHBondContact O-N 2.87Å; C66-I68 HydrophobicContact CB-CD1 3.75Å; C66-I68 HydrophobicContact CB-CG1 4.15Å; C66-L84 WeakPolarHBondContact O-CD2 3.19Å; C66-H85 PolarHBondContact O-N 3.02Å; C66-S88 WeakPolarHBondContact O-CB 3.4Å; C66-Y91 VanDerWaalsContact SG-CB 3.52Å; C66-M92 HydrophobicContact CB-CE 3.98Å
67G76.6Confident76.7Confident14 Ų1441.6 Ų41.614%0.14421%0.214CC..THydrogen-bonded Turntrans87.915.7-166.900000113.1L63 K64 L65 Q79L63-G67 PolarHBondContact O-N 2.77Å; K64-G67 WeakPolarHBondContact O-CA 3.46Å; K64-G67 PolarHBondContact O-N 2.8Å; L65-G67 VanDerWaalsContact C-N 3.29Å; G67-Q79 PolarHBondContact O-NE2 3.21Å
68I77.9Confident75.4Confident0 Ų045.1 Ų45.10%023%0.228CC..  trans-95.8100.1178-61.4155.6000108.5L63 C66 F74 L84 M92 F309L63-I68 CarbonylContact C-O 3.55Å; L63-I68 HydrophobicContact CB-CB 4.24Å; L63-I68 HydrophobicContact CB-CG2 4.41Å; L63-I68 HydrophobicContact CD2-CB 4.47Å; L63-I68 HydrophobicContact CD2-CD1 3.87Å; L63-I68 HydrophobicContact CD2-CG2 4.33Å; L63-I68 WeakPolarHBondContact O-CB 3.21Å; L63-I68 PolarHBondContact O-N 3.3Å; C66-I68 HydrophobicContact CB-CD1 3.75Å; C66-I68 HydrophobicContact CB-CG1 4.15Å; I68-F74 HydrophobicContact CD1-CD2 3.22Å; I68-F74 HydrophobicContact CD1-CE2 3.57Å; I68-F74 HydrophobicContact CD1-CG 4.18Å; I68-F74 HydrophobicContact CG1-CD2 4.03Å; I68-F74 HydrophobicContact CG2-CB 3.7Å; I68-F74 HydrophobicContact CG2-CD2 4.35Å; I68-F74 HydrophobicContact CG2-CG 4.28Å; I68-L84 HydrophobicContact CG1-CD2 4.48Å; I68-M92 HydrophobicContact CD1-CE 3.54Å; I68-F309 WeakPolarHBondContact O-CE1 3.48Å
69N74.7Confident74Confident69 Ų6944.3 Ų44.337%0.36922%0.221SC..  trans-101.5-4.9175.6-61.5-25.7000113Q305 F309N69-Q305 PolarHBondContact O-NE2 3.3Å; N69-F309 WeakPolarHBondContact O-CD1 3.43Å; N69-F309 WeakPolarHBondContact O-CG 3.33Å
70N75.8Confident72.5Confident43 Ų4347.5 Ų47.523%0.2324%0.243CC..  trans-135.3117.6176.4-177.2-34.1000109.3Q72 L73 F74 Q305N70-Q72 VanDerWaalsContact C-N 3.33Å; N70-Q72 WeakPolarHBondContact OD1-CA 3.44Å; N70-Q72 VanDerWaalsContact OD1-CB 3.3Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.49Å; N70-Q72 PolarHBondContact OD1-N 3.02Å; N70-L73 HydrophobicContact CB-CB 4.15Å; N70-L73 HydrophobicContact CB-CD1 3.92Å; N70-L73 HydrophobicContact CB-CG 4.03Å; N70-L73 PolarHBondContact OD1-N 3.01Å; N70-L73 VanDerWaalsContact OD1-N 3.16Å; N70-F74 PolarHBondContact O-N 2.75Å; N70-Q305 VanDerWaalsContact CA-NE2 3.32Å
71I75Confident71.1Confident1 Ų152.2 Ų52.21%0.00527%0.268CS..Hα-helixtrans-71-30.6-176.5-154.6165.5000112.4M55 L63 F74 L75 I298 V301M55-I71 HydrophobicContact CE-CD1 3.43Å; M55-I71 VanDerWaalsContact CE-CD1 3.43Å; M55-I71 HydrophobicContact SD-CD1 3.85Å; L63-I71 HydrophobicContact CD1-CD1 4.31Å; I71-F74 WeakPolarHBondContact O-CB 2.86Å; I71-F74 PolarHBondContact O-N 2.87Å; I71-L75 WeakPolarHBondContact O-CG 3.32Å; I71-L75 PolarHBondContact O-N 2.6Å; I71-I298 HydrophobicContact CB-CG2 4.34Å; I71-I298 HydrophobicContact CD1-CG2 4Å; I71-I298 HydrophobicContact CG1-CG2 3.79Å; I71-I298 HydrophobicContact CG2-CG2 3.76Å; I71-V301 HydrophobicContact CB-CG1 4.42Å; I71-V301 HydrophobicContact CD1-CB 4.3Å; I71-V301 HydrophobicContact CD1-CG1 3.65Å; I71-V301 HydrophobicContact CG2-CG1 4.03Å
72Q73.1Confident69.8Low95 Ų9555.9 Ų55.944%0.44429%0.288SS..Hα-helixtrans-69.3-41.8178.1-171.4171.1-13.600111N70 F74 L75 E76 S302N70-Q72 VanDerWaalsContact C-N 3.33Å; N70-Q72 WeakPolarHBondContact OD1-CA 3.44Å; N70-Q72 VanDerWaalsContact OD1-CB 3.3Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.49Å; N70-Q72 PolarHBondContact OD1-N 3.02Å; Q72-F74 VanDerWaalsContact C-N 3.27Å; Q72-F74 PolarHBondContact O-N 2.87Å; Q72-L75 WeakPolarHBondContact O-CB 3.4Å; Q72-L75 PolarHBondContact O-N 3.27Å; Q72-E76 PolarHBondContact O-N 3.04Å; Q72-E76 VanDerWaalsContact O-N 3.09Å; Q72-S302 PolarHBondContact OE1-OG 3.33Å
73L67.3Low68.8Low67 Ų6761.4 Ų61.435%0.35131%0.313SS..Hα-helixtrans-63-34.6173.9-69.7-179.7000112.6N70 L75 Q79N70-L73 HydrophobicContact CB-CB 4.15Å; N70-L73 HydrophobicContact CB-CD1 3.92Å; N70-L73 HydrophobicContact CB-CG 4.03Å; N70-L73 PolarHBondContact OD1-N 3.01Å; N70-L73 VanDerWaalsContact OD1-N 3.16Å; L73-L75 VanDerWaalsContact C-N 3.27Å; L73-L75 PolarHBondContact O-N 2.76Å; L73-Q79 HydrophobicContact CB-CG 4.32Å
74F68.1Low68.2Low3 Ų363.1 Ų63.11%0.01332%0.322CS..Hα-helixtrans-62.1-34.8171.5170.3-96.6000112.2L42 C45 Y46 L49 L63 I68 N70 I71 Q72 M92L42-F74 HydrophobicContact CD1-CD2 3.48Å; L42-F74 VanDerWaalsContact CD1-CD2 3.48Å; L42-F74 HydrophobicContact CD1-CE2 3.05Å; L42-F74 HydrophobicContact CD1-CZ 3.8Å; C45-F74 HydrophobicContact CB-CZ 4.4Å; Y46-F74 HydrophobicContact CD2-CE1 4.44Å; L49-F74 HydrophobicContact CD1-CE1 3.56Å; L49-F74 HydrophobicContact CD1-CZ 3.86Å; L63-F74 HydrophobicContact CD2-CE2 4.33Å; L63-F74 HydrophobicContact CD2-CZ 4.49Å; I68-F74 HydrophobicContact CD1-CD2 3.22Å; I68-F74 HydrophobicContact CD1-CE2 3.57Å; I68-F74 HydrophobicContact CD1-CG 4.18Å; I68-F74 HydrophobicContact CG1-CD2 4.03Å; I68-F74 HydrophobicContact CG2-CB 3.7Å; I68-F74 HydrophobicContact CG2-CD2 4.35Å; I68-F74 HydrophobicContact CG2-CG 4.28Å; N70-F74 PolarHBondContact O-N 2.75Å; I71-F74 WeakPolarHBondContact O-CB 2.86Å; I71-F74 PolarHBondContact O-N 2.87Å; Q72-F74 VanDerWaalsContact C-N 3.27Å; Q72-F74 PolarHBondContact O-N 2.87Å; F74-M92 HydrophobicContact CE2-CE 3.8Å; F74-M92 HydrophobicContact CE2-SD 4.08Å; F74-M92 HydrophobicContact CZ-SD 4.45Å
75L65.2Low67.9Low34 Ų3463.2 Ų63.218%0.17832%0.324CS..Hα-helixtrans-76.6-34.6179-63.6-169.7000114.4Y46 I71 Q72 L73 N77 I298Y46-L75 HydrophobicContact CD2-CD2 3.56Å; Y46-L75 HydrophobicContact CE2-CB 3.98Å; Y46-L75 HydrophobicContact CE2-CD2 3.34Å; Y46-L75 HydrophobicContact CE2-CG 4.19Å; I71-L75 WeakPolarHBondContact O-CG 3.32Å; I71-L75 PolarHBondContact O-N 2.6Å; Q72-L75 WeakPolarHBondContact O-CB 3.4Å; Q72-L75 PolarHBondContact O-N 3.27Å; L73-L75 VanDerWaalsContact C-N 3.27Å; L73-L75 PolarHBondContact O-N 2.76Å; L75-N77 PolarHBondContact O-N 3.12Å; L75-N77 VanDerWaalsContact O-N 3.13Å; L75-I298 HydrophobicContact CD1-CB 3.92Å; L75-I298 HydrophobicContact CD1-CD1 3.97Å; L75-I298 HydrophobicContact CD1-CG1 4.45Å; L75-I298 HydrophobicContact CD1-CG2 3.29Å; L75-I298 HydrophobicContact CD2-CD1 3.75Å; L75-I298 HydrophobicContact CD2-CG2 4.11Å; L75-I298 HydrophobicContact CG-CD1 4.44Å; L75-I298 HydrophobicContact CG-CG2 3.77Å
76E64.9Low67.5Low82 Ų8268.2 Ų68.238%0.38334%0.343SS..THydrogen-bonded Turntrans-71.1-2.5-179.1-68.2-172.1-168.600112.4Q72 K78Q72-E76 PolarHBondContact O-N 3.04Å; Q72-E76 VanDerWaalsContact O-N 3.09Å; E76-K78 HydrophobicContact CB-CB 3.94Å; E76-K78 HydrophobicContact CB-CD 4.04Å; E76-K78 HydrophobicContact CB-CG 3.89Å; E76-K78 WeakPolarHBondContact O-CG 3.41Å; E76-K78 PolarHBondContact O-N 3.33Å; E76-K78 VanDerWaalsContact O-N 3.08Å; E76-K78 VanDerWaalsContact OE2-CD 3.3Å; E76-K78 WeakPolarHBondContact OE2-CD 3.35Å; E76-K78 WeakPolarHBondContact OE2-CE 3.25Å; E76-K78 IonicContact OE2-NZ 3.62Å; E76-K78 PolarHBondContact OE2-NZ 3.49Å
77N60.2Low67.6Low109 Ų10973 Ų7358%0.58336%0.364SS*.THydrogen-bonded Turntrans53.219.6-168.5-67.1-25.5000112.6L75L75-N77 PolarHBondContact O-N 3.12Å; L75-N77 VanDerWaalsContact O-N 3.13Å
78K53.7Low67.9Low144 Ų14472.9 Ų72.963%0.62636%0.361SS*.  trans-99.310.2-168.7-81.2-171.2-157.5157.20114.3E76 S80E76-K78 HydrophobicContact CB-CB 3.94Å; E76-K78 HydrophobicContact CB-CD 4.04Å; E76-K78 HydrophobicContact CB-CG 3.89Å; E76-K78 WeakPolarHBondContact O-CG 3.41Å; E76-K78 PolarHBondContact O-N 3.33Å; E76-K78 VanDerWaalsContact O-N 3.08Å; E76-K78 VanDerWaalsContact OE2-CD 3.3Å; E76-K78 WeakPolarHBondContact OE2-CD 3.35Å; E76-K78 WeakPolarHBondContact OE2-CE 3.25Å; E76-K78 IonicContact OE2-NZ 3.62Å; E76-K78 PolarHBondContact OE2-NZ 3.49Å; K78-S80 PolarHBondContact O-N 2.69Å
79Q54.6Low68.3Low35 Ų3573 Ų7316%0.16436%0.361CS..  trans-63.3117.1173.7-78.5-167-36.600109.7G67 L73 I81G67-Q79 PolarHBondContact O-NE2 3.21Å; L73-Q79 HydrophobicContact CB-CG 4.32Å; Q79-I81 PolarHBondContact O-N 3.41Å; Q79-I81 VanDerWaalsContact O-N 3.16Å
80S55.2Low68.9Low67 Ų6774.1 Ų74.147%0.46936%0.361SS..  trans-55.7120.5160.157.10000107.1K78 N82 Q83K78-S80 PolarHBondContact O-N 2.69Å; S80-N82 PolarHBondContact O-N 3.48Å; S80-Q83 PolarHBondContact O-N 2.99Å
81I53.6Low69.5Low102 Ų10274.1 Ų74.152%0.52336%0.358SS..G310 helixtrans-47-27.5-175.8-59.5157.7000112.4Y39 Q79 Q83 L84Y39-I81 WeakPolarHBondContact OH-CD1 3.39Å; Y39-I81 WeakPolarHBondContact OH-CG1 3.32Å; Q79-I81 PolarHBondContact O-N 3.41Å; Q79-I81 VanDerWaalsContact O-N 3.16Å; I81-Q83 PolarHBondContact O-N 3.31Å; I81-Q83 VanDerWaalsContact O-N 3.09Å; I81-L84 PolarHBondContact O-N 2.92Å
82N54.3Low70.1Confident154 Ų15474.1 Ų74.182%0.82436%0.358SS*.G310 helixtrans-60.7-17.5-176.1-61.20.3000115.4S80S80-N82 PolarHBondContact O-N 3.48Å
83Q65.3Low70.9Confident129 Ų12971.4 Ų71.460%0.60334%0.344SS*.G310 helixtrans-99.3-4.6-179.6-67.1-176.5-8.800114.2S80 I81S80-Q83 PolarHBondContact O-N 2.99Å; I81-Q83 PolarHBondContact O-N 3.31Å; I81-Q83 VanDerWaalsContact O-N 3.09Å
84L72.1Confident72Confident36 Ų3671 Ų7119%0.18834%0.339CS..SBendtrans-82141.7-175.9-70.5166.7000111.5I38 C66 I68 I81I38-L84 HydrophobicContact CD1-CD1 3.66Å; I38-L84 HydrophobicContact CD1-CD2 3.63Å; I38-L84 HydrophobicContact CD1-CG 4.2Å; I38-L84 HydrophobicContact CG2-CD1 4.37Å; C66-L84 WeakPolarHBondContact O-CD2 3.19Å; I68-L84 HydrophobicContact CG1-CD2 4.48Å; I81-L84 PolarHBondContact O-N 2.92Å
85H74.2Confident73Confident76 Ų7670.8 Ų70.835%0.35234%0.339SS..  trans-66.2145.9174.6-172.3-95.7000110.6L65 C66 K87 S88 Y91L65-H85 WeakPolarHBondContact O-CB 3.28Å; C66-H85 PolarHBondContact O-N 3.02Å; H85-K87 PolarHBondContact ND1-N 2.88Å; H85-K87 VanDerWaalsContact ND1-N 3.12Å; H85-K87 PolarHBondContact O-N 3.15Å; H85-K87 VanDerWaalsContact O-N 3.08Å; H85-S88 WeakPolarHBondContact O-CA 3.4Å; H85-S88 WeakPolarHBondContact O-CB 3.39Å; H85-S88 PolarHBondContact O-N 3.49Å; H85-S88 PolarHBondContact O-OG 2.97Å; H85-Y91 AromaticContact ND1-CE2 3.89Å
86F75Confident74.1Confident173 Ų17370.2 Ų70.276%0.75933%0.334SS*.THydrogen-bonded Turntrans-63.3-19.9-177.974.6-83.4000114.2
87K83Confident75.3Confident101 Ų10169 Ų6944%0.43933%0.33SS..THydrogen-bonded Turntrans-99.814.4171.7-60.3-176.1176.6173.20113.7H85 G89 Y90 Y91H85-K87 PolarHBondContact ND1-N 2.88Å; H85-K87 VanDerWaalsContact ND1-N 3.12Å; H85-K87 PolarHBondContact O-N 3.15Å; H85-K87 VanDerWaalsContact O-N 3.08Å; K87-G89 VanDerWaalsContact C-N 3.31Å; K87-G89 PolarHBondContact O-N 2.95Å; K87-Y90 WeakPolarHBondContact O-CB 3.13Å; K87-Y90 PolarHBondContact O-N 3.19Å; K87-Y91 HydrophobicContact CB-CD2 4.08Å; K87-Y91 HydrophobicContact CB-CE2 3.74Å; K87-Y91 VanDerWaalsContact O-CD2 3.29Å; K87-Y91 WeakPolarHBondContact O-CD2 3.47Å; K87-Y91 PolarHBondContact O-N 3.33Å
88S83.7Confident76.5Confident11 Ų1164.4 Ų64.48%0.07731%0.305CS..Hα-helixtrans-53.4-43.8-173.751.90000112.9C66 H85 Y90 Y91 M92C66-S88 WeakPolarHBondContact O-CB 3.4Å; H85-S88 WeakPolarHBondContact O-CA 3.4Å; H85-S88 WeakPolarHBondContact O-CB 3.39Å; H85-S88 PolarHBondContact O-N 3.49Å; H85-S88 PolarHBondContact O-OG 2.97Å; S88-Y90 VanDerWaalsContact C-N 3.34Å; S88-Y90 PolarHBondContact O-N 3.5Å; S88-Y91 PolarHBondContact O-N 3.29Å; S88-M92 WeakPolarHBondContact O-CB 2.98Å; S88-M92 PolarHBondContact O-N 3.41Å
89G85Confident78.1Confident1 Ų157.6 Ų57.61%0.0128%0.275CS..Hα-helixtrans-68.8-27.1178.400000114.7N36 K87 M92 R93N36-G89 CarbonylContact O-C 3.34Å; N36-G89 WeakPolarHBondContact O-CA 3.23Å; K87-G89 VanDerWaalsContact C-N 3.31Å; K87-G89 PolarHBondContact O-N 2.95Å; G89-M92 PolarHBondContact O-N 3.49Å; G89-R93 WeakPolarHBondContact O-CB 3.3Å; G89-R93 PolarHBondContact O-N 2.96Å
90Y87.6Confident79.5Confident94 Ų9459 Ų5937%0.36928%0.281SS..Hα-helixtrans-65.3-46.1169.1169.4-95.5000111.5K87 S88 M92 R93 K94K87-Y90 WeakPolarHBondContact O-CB 3.13Å; K87-Y90 PolarHBondContact O-N 3.19Å; S88-Y90 VanDerWaalsContact C-N 3.34Å; S88-Y90 PolarHBondContact O-N 3.5Å; Y90-M92 VanDerWaalsContact C-N 3.32Å; Y90-R93 WeakPolarHBondContact O-CB 3.34Å; Y90-R93 PolarHBondContact O-N 3.19Å; Y90-K94 HydrophobicContact CE1-CD 3.78Å; Y90-K94 HydrophobicContact CE1-CG 4.37Å; Y90-K94 PolarHBondContact O-N 2.77Å; Y90-K94 WeakPolarHBondContact OH-CE 3.37Å; Y90-K94 PolarHBondContact OH-NZ 3.33Å
91Y88.3Confident80.7Confident43 Ų4360.4 Ų60.417%0.16928%0.282CS..Hα-helixtrans-68.2-34177-65.3-59.8000112L65 C66 H85 K87 S88 K94 L95L65-Y91 HydrophobicContact CB-CD1 3.95Å; L65-Y91 HydrophobicContact CB-CD2 3.81Å; L65-Y91 HydrophobicContact CB-CE1 4.22Å; L65-Y91 HydrophobicContact CB-CE2 4.06Å; L65-Y91 HydrophobicContact CB-CG 3.75Å; L65-Y91 HydrophobicContact CD1-CD1 3.94Å; L65-Y91 HydrophobicContact CD1-CE1 3.83Å; L65-Y91 HydrophobicContact CG-CE1 4.45Å; L65-Y91 VanDerWaalsContact O-CD2 3.22Å; L65-Y91 WeakPolarHBondContact O-CD2 3.26Å; C66-Y91 VanDerWaalsContact SG-CB 3.52Å; H85-Y91 AromaticContact ND1-CE2 3.89Å; K87-Y91 HydrophobicContact CB-CD2 4.08Å; K87-Y91 HydrophobicContact CB-CE2 3.74Å; K87-Y91 VanDerWaalsContact O-CD2 3.29Å; K87-Y91 WeakPolarHBondContact O-CD2 3.47Å; K87-Y91 PolarHBondContact O-N 3.33Å; S88-Y91 PolarHBondContact O-N 3.29Å; Y91-K94 WeakPolarHBondContact O-CB 3.22Å; Y91-K94 PolarHBondContact O-N 2.98Å; Y91-L95 WeakPolarHBondContact O-CB 3.14Å; Y91-L95 PolarHBondContact O-N 3.41Å
92M88.2Confident81.6Confident0 Ų056.8 Ų56.80%026%0.264CS..Hα-helixtrans-65.6-40.2173.9-160.361.268.100111.5I38 W41 L42 C45 C66 I68 F74 S88 G89 Y90 L95 Y96I38-M92 HydrophobicContact CD1-CE 4.07Å; I38-M92 HydrophobicContact CG1-CE 4.44Å; W41-M92 HydrophobicContact CB-CB 3.75Å; W41-M92 HydrophobicContact CB-CG 3.45Å; W41-M92 VanDerWaalsContact CB-CG 3.45Å; L42-M92 HydrophobicContact CD1-CE 4.2Å; C45-M92 HydrophobicContact CB-CG 4.31Å; C45-M92 HydrophobicContact CB-SD 3.75Å; C45-M92 VanDerWaalsContact SG-CG 3.59Å; C45-M92 PolarHBondContact SG-O 3.01Å; C45-M92 VanDerWaalsContact SG-SD 3.61Å; C66-M92 HydrophobicContact CB-CE 3.98Å; I68-M92 HydrophobicContact CD1-CE 3.54Å; F74-M92 HydrophobicContact CE2-CE 3.8Å; F74-M92 HydrophobicContact CE2-SD 4.08Å; F74-M92 HydrophobicContact CZ-SD 4.45Å; S88-M92 WeakPolarHBondContact O-CB 2.98Å; S88-M92 PolarHBondContact O-N 3.41Å; G89-M92 PolarHBondContact O-N 3.49Å; Y90-M92 VanDerWaalsContact C-N 3.32Å; M92-L95 WeakPolarHBondContact O-CB 3.27Å; M92-L95 PolarHBondContact O-N 2.79Å; M92-L95 HydrophobicContact SD-CD2 3.97Å; M92-Y96 PolarHBondContact O-N 2.86Å
93R89.2Confident82.4Confident38 Ų3851.9 Ų51.914%0.14324%0.242CC..Hα-helixtrans-61.4-43.3170.8-178.9174.6-178.6-167.61.9111.9N22 S25 N32 W41 G89 Y90 Y96 N97N22-R93 PolarHBondContact OD1-NH2 3.1Å; S25-R93 PolarHBondContact OG-NH2 2.92Å; N32-R93 PolarHBondContact OD1-NH1 2.78Å; W41-R93 HydrophobicContact CD2-CB 3.77Å; W41-R93 HydrophobicContact CD2-CG 4.08Å; W41-R93 HydrophobicContact CE3-CB 4.31Å; W41-R93 HydrophobicContact CE3-CG 4.35Å; W41-R93 HydrophobicContact CG-CB 4.07Å; W41-R93 HydrophobicContact CH2-CG 3.8Å; W41-R93 HydrophobicContact CZ2-CB 4.04Å; W41-R93 VanDerWaalsContact CZ2-CD 3.49Å; W41-R93 HydrophobicContact CZ2-CG 3.47Å; W41-R93 VanDerWaalsContact CZ2-CG 3.47Å; W41-R93 HydrophobicContact CZ3-CG 4.22Å; G89-R93 WeakPolarHBondContact O-CB 3.3Å; G89-R93 PolarHBondContact O-N 2.96Å; Y90-R93 WeakPolarHBondContact O-CB 3.34Å; Y90-R93 PolarHBondContact O-N 3.19Å; R93-Y96 WeakPolarHBondContact O-CB 3.35Å; R93-Y96 PolarHBondContact O-N 2.79Å; R93-N97 PolarHBondContact O-N 3.26Å
94K89.8Confident81.9Confident58 Ų5850 Ų5025%0.25224%0.236SC..Hα-helixtrans-59.8-46.6174-81.2-167.7157.4-171.70111.6L62 Y90 Y91 Y96 N97 Y98L62-K94 HydrophobicContact CD2-CB 4.04Å; Y90-K94 HydrophobicContact CE1-CD 3.78Å; Y90-K94 HydrophobicContact CE1-CG 4.37Å; Y90-K94 PolarHBondContact O-N 2.77Å; Y90-K94 WeakPolarHBondContact OH-CE 3.37Å; Y90-K94 PolarHBondContact OH-NZ 3.33Å; Y91-K94 WeakPolarHBondContact O-CB 3.22Å; Y91-K94 PolarHBondContact O-N 2.98Å; K94-Y96 VanDerWaalsContact C-N 3.35Å; K94-Y96 PolarHBondContact O-N 2.91Å; K94-N97 PolarHBondContact O-N 3.22Å; K94-Y98 WeakPolarHBondContact O-CB 3.48Å; K94-Y98 PolarHBondContact O-N 3.15Å
95L89.9Confident80.8Confident0 Ų052 Ų520%025%0.247CC..Hα-helixtrans-57.1-47.6174.8178.461.5000111.3L49 I59 L62 L63 Y91 M92 N97 Y98 L99L49-L95 HydrophobicContact CD1-CD2 4.45Å; I59-L95 HydrophobicContact CB-CD1 4.42Å; I59-L95 HydrophobicContact CG1-CD1 4.33Å; I59-L95 HydrophobicContact CG2-CD1 4.03Å; L62-L95 HydrophobicContact CB-CB 4.15Å; L62-L95 HydrophobicContact CB-CD1 4.13Å; L62-L95 HydrophobicContact CD1-CB 4.23Å; L62-L95 HydrophobicContact CD1-CD1 4.13Å; L63-L95 HydrophobicContact CD2-CD2 3.68Å; L63-L95 HydrophobicContact CG-CD2 4.18Å; Y91-L95 WeakPolarHBondContact O-CB 3.14Å; Y91-L95 PolarHBondContact O-N 3.41Å; M92-L95 WeakPolarHBondContact O-CB 3.27Å; M92-L95 PolarHBondContact O-N 2.79Å; M92-L95 HydrophobicContact SD-CD2 3.97Å; L95-N97 VanDerWaalsContact C-N 3.33Å; L95-N97 PolarHBondContact O-N 3.11Å; L95-Y98 PolarHBondContact O-N 2.97Å; L95-L99 HydrophobicContact CD1-CD1 4.06Å; L95-L99 HydrophobicContact CD1-CG 4.1Å; L95-L99 HydrophobicContact CG-CD1 3.94Å; L95-L99 HydrophobicContact CG-CG 4.41Å; L95-L99 WeakPolarHBondContact O-CG 2.95Å; L95-L99 PolarHBondContact O-N 2.86Å
96Y89.5Confident79.6Confident22 Ų2254.7 Ų54.79%0.08626%0.264CS..Hα-helixtrans-56.2-47.8176.8-173-92.4000112.3I18 W41 K44 K48 M92 R93 K94 L99 K100I18-Y96 HydrophobicContact CB-CE1 4.46Å; I18-Y96 HydrophobicContact CD1-CE1 3.72Å; I18-Y96 VanDerWaalsContact CD1-CZ 3.5Å; I18-Y96 WeakPolarHBondContact CD1-OH 3.49Å; I18-Y96 HydrophobicContact CG1-CE1 3.69Å; I18-Y96 HydrophobicContact CG2-CE1 3.98Å; W41-Y96 HydrophobicContact CE3-CD1 4.22Å; W41-Y96 HydrophobicContact CE3-CD2 4.48Å; W41-Y96 AromaticContact CE3-CG 3.86Å; W41-Y96 HydrophobicContact CE3-CG 3.86Å; W41-Y96 AromaticContact CZ3-CD1 3.66Å; W41-Y96 HydrophobicContact CZ3-CD1 3.66Å; W41-Y96 HydrophobicContact CZ3-CE1 4.44Å; W41-Y96 AromaticContact CZ3-CG 3.79Å; W41-Y96 HydrophobicContact CZ3-CG 3.79Å; K44-Y96 HydrophobicContact CB-CD2 3.89Å; K44-Y96 HydrophobicContact CB-CE2 3.87Å; K48-Y96 HydrophobicContact CB-CE2 4.28Å; M92-Y96 PolarHBondContact O-N 2.86Å; R93-Y96 WeakPolarHBondContact O-CB 3.35Å; R93-Y96 PolarHBondContact O-N 2.79Å; K94-Y96 VanDerWaalsContact C-N 3.35Å; K94-Y96 PolarHBondContact O-N 2.91Å; Y96-L99 PolarHBondContact O-N 3.06Å; Y96-K100 HydrophobicContact CE1-CB 4.43Å; Y96-K100 HydrophobicContact CE1-CD 4.41Å; Y96-K100 WeakPolarHBondContact O-CB 3.46Å; Y96-K100 PolarHBondContact O-N 3.35Å
97N88.5Confident77.7Confident55 Ų5552.2 Ų52.229%0.29426%0.259SS..Hα-helixtrans-66.3-39.7-179.3-73.7-22.1000111.7R93 K94 L95 K100 L101R93-N97 PolarHBondContact O-N 3.26Å; K94-N97 PolarHBondContact O-N 3.22Å; L95-N97 VanDerWaalsContact C-N 3.33Å; L95-N97 PolarHBondContact O-N 3.11Å; N97-K100 WeakPolarHBondContact O-CB 3.3Å; N97-K100 PolarHBondContact O-N 2.91Å; N97-L101 WeakPolarHBondContact O-CG 3.33Å; N97-L101 PolarHBondContact O-N 3.28Å
98Y87Confident75.6Confident13 Ų1354.1 Ų54.15%0.05127%0.272CS..Hα-helixtrans-58.6-52.7173.1-174.1-106.9000110.6D56 T58 I59 L62 K94 L95 K100 L101 L102 I362 V364D56-Y98 PolarHBondContact OD2-OH 3.47Å; D56-Y98 VanDerWaalsContact OD2-OH 3.14Å; T58-Y98 HydrophobicContact CG2-CD1 4.25Å; T58-Y98 HydrophobicContact CG2-CD2 4.17Å; T58-Y98 HydrophobicContact CG2-CE1 3.88Å; T58-Y98 HydrophobicContact CG2-CE2 3.82Å; T58-Y98 HydrophobicContact CG2-CG 4.39Å; I59-Y98 HydrophobicContact CD1-CE1 4.28Å; I59-Y98 HydrophobicContact CG1-CD1 3.9Å; I59-Y98 HydrophobicContact CG1-CE1 3.74Å; L62-Y98 HydrophobicContact CD1-CG 4.5Å; K94-Y98 WeakPolarHBondContact O-CB 3.48Å; K94-Y98 PolarHBondContact O-N 3.15Å; L95-Y98 PolarHBondContact O-N 2.97Å; Y98-K100 PolarHBondContact O-N 3.07Å; Y98-K100 VanDerWaalsContact O-N 3.16Å; Y98-L101 WeakPolarHBondContact O-CB 3.31Å; Y98-L101 PolarHBondContact O-N 2.9Å; Y98-L101 VanDerWaalsContact O-N 3.08Å; Y98-L102 HydrophobicContact CD1-CD1 3.68Å; Y98-L102 HydrophobicContact CD1-CG 4.35Å; Y98-L102 HydrophobicContact CE1-CD1 3.36Å; Y98-L102 HydrophobicContact CE1-CD2 4.44Å; Y98-L102 HydrophobicContact CE1-CG 4.12Å; Y98-L102 HydrophobicContact CE2-CD2 4.47Å; Y98-L102 HydrophobicContact CG-CD1 4.47Å; Y98-L102 VanDerWaalsContact O-CG 3.31Å; Y98-L102 WeakPolarHBondContact O-CG 3.34Å; Y98-L102 PolarHBondContact O-N 2.82Å; Y98-I362 HydrophobicContact CE2-CG2 4.4Å; Y98-V364 HydrophobicContact CD2-CG2 4.38Å
99L86.4Confident73.6Confident1 Ų160.7 Ų60.71%0.00530%0.299CS..Hα-helixtrans-59.6-29.9176.4-63.3168.5000113.3K48 L49 T52 I59 L95 Y96 S103K48-L99 HydrophobicContact CB-CD1 4.25Å; K48-L99 VanDerWaalsContact CE-O 3.3Å; K48-L99 WeakPolarHBondContact CE-O 3.42Å; K48-L99 HydrophobicContact CG-CB 3.66Å; K48-L99 HydrophobicContact CG-CD1 4.24Å; L49-L99 HydrophobicContact CD2-CD1 3.77Å; L49-L99 HydrophobicContact CD2-CD2 3.73Å; L49-L99 HydrophobicContact CD2-CG 4.41Å; L49-L99 HydrophobicContact CG-CD1 3.71Å; T52-L99 HydrophobicContact CG2-CD2 3.79Å; I59-L99 HydrophobicContact CD1-CD2 3.86Å; I59-L99 HydrophobicContact CG1-CD2 4.29Å; L95-L99 HydrophobicContact CD1-CD1 4.06Å; L95-L99 HydrophobicContact CD1-CG 4.1Å; L95-L99 HydrophobicContact CG-CD1 3.94Å; L95-L99 HydrophobicContact CG-CG 4.41Å; L95-L99 WeakPolarHBondContact O-CG 2.95Å; L95-L99 PolarHBondContact O-N 2.86Å; Y96-L99 PolarHBondContact O-N 3.06Å; L99-S103 PolarHBondContact O-N 2.84Å
100K84.8Confident71.3Confident66 Ų6669.9 Ų69.929%0.28734%0.339SS..Hα-helixtrans-72.6-43.5174.6-176.7-177.1175.9-174.20111.9Y96 N97 Y98 L102 S103 N104Y96-K100 HydrophobicContact CE1-CB 4.43Å; Y96-K100 HydrophobicContact CE1-CD 4.41Å; Y96-K100 WeakPolarHBondContact O-CB 3.46Å; Y96-K100 PolarHBondContact O-N 3.35Å; N97-K100 WeakPolarHBondContact O-CB 3.3Å; N97-K100 PolarHBondContact O-N 2.91Å; Y98-K100 PolarHBondContact O-N 3.07Å; Y98-K100 VanDerWaalsContact O-N 3.16Å; K100-L102 VanDerWaalsContact C-N 3.3Å; K100-L102 PolarHBondContact O-N 2.93Å; K100-S103 PolarHBondContact O-N 3.28Å; K100-S103 PolarHBondContact O-OG 3.25Å; K100-N104 PolarHBondContact O-N 3.33Å; K100-N104 PolarHBondContact O-OD1 2.97Å
101L80.1Confident69Low95 Ų9570.6 Ų70.650%0.49735%0.349SS..Hα-helixtrans-59.2-45.8174.9-71.5169.9000110.2N97 Y98 S103 N104 N105N97-L101 WeakPolarHBondContact O-CG 3.33Å; N97-L101 PolarHBondContact O-N 3.28Å; Y98-L101 WeakPolarHBondContact O-CB 3.31Å; Y98-L101 PolarHBondContact O-N 2.9Å; Y98-L101 VanDerWaalsContact O-N 3.08Å; L101-S103 VanDerWaalsContact C-N 3.31Å; L101-S103 PolarHBondContact O-N 3.09Å; L101-N104 CarbonylContact O-C 3.52Å; L101-N104 WeakPolarHBondContact O-CA 3.45Å; L101-N104 PolarHBondContact O-N 2.96Å; L101-N105 PolarHBondContact O-N 3.35Å; L101-N105 PolarHBondContact O-OD1 2.82Å
102L73Confident66.6Low27 Ų2778 Ų7814%0.14139%0.385CS..Hα-helixtrans-61.1-36.1179.1-63.9175.2000113.6W54 I59 Y98 K100 N104W54-L102 HydrophobicContact CH2-CB 4.45Å; W54-L102 HydrophobicContact CH2-CD1 3.11Å; W54-L102 HydrophobicContact CH2-CD2 3.45Å; W54-L102 VanDerWaalsContact CH2-CD2 3.45Å; W54-L102 HydrophobicContact CH2-CG 3.77Å; W54-L102 HydrophobicContact CZ2-CB 4.06Å; W54-L102 HydrophobicContact CZ2-CD1 3.49Å; W54-L102 VanDerWaalsContact CZ2-CD1 3.49Å; W54-L102 HydrophobicContact CZ2-CD2 3.58Å; W54-L102 HydrophobicContact CZ2-CG 3.86Å; W54-L102 HydrophobicContact CZ3-CD1 3.8Å; I59-L102 HydrophobicContact CD1-CD1 4.41Å; Y98-L102 HydrophobicContact CD1-CD1 3.68Å; Y98-L102 HydrophobicContact CD1-CG 4.35Å; Y98-L102 HydrophobicContact CE1-CD1 3.36Å; Y98-L102 HydrophobicContact CE1-CD2 4.44Å; Y98-L102 HydrophobicContact CE1-CG 4.12Å; Y98-L102 HydrophobicContact CE2-CD2 4.47Å; Y98-L102 HydrophobicContact CG-CD1 4.47Å; Y98-L102 VanDerWaalsContact O-CG 3.31Å; Y98-L102 WeakPolarHBondContact O-CG 3.34Å; Y98-L102 PolarHBondContact O-N 2.82Å; K100-L102 VanDerWaalsContact C-N 3.3Å; K100-L102 PolarHBondContact O-N 2.93Å; L102-N104 PolarHBondContact O-N 2.98Å
103S69.9Low64.4Low51 Ų5183.7 Ų83.736%0.35741%0.414SS..Hα-helixtrans-71.6-19.3174.860.80000114K48 L99 K100 L101K48-S103 WeakPolarHBondContact CE-OG 3.24Å; K48-S103 PolarHBondContact NZ-OG 2.95Å; L99-S103 PolarHBondContact O-N 2.84Å; K100-S103 PolarHBondContact O-N 3.28Å; K100-S103 PolarHBondContact O-OG 3.25Å; L101-S103 VanDerWaalsContact C-N 3.31Å; L101-S103 PolarHBondContact O-N 3.09Å
104N55.4Low62.2Low90 Ų9088.1 Ų88.148%0.48144%0.441SS..Hα-helixtrans-100.6-22.7-176.4-71.912.9000112.6K100 L101 L102 N106 D107K100-N104 PolarHBondContact O-N 3.33Å; K100-N104 PolarHBondContact O-OD1 2.97Å; L101-N104 CarbonylContact O-C 3.52Å; L101-N104 WeakPolarHBondContact O-CA 3.45Å; L101-N104 PolarHBondContact O-N 2.96Å; L102-N104 PolarHBondContact O-N 2.98Å; N104-N106 PolarHBondContact O-N 3.48Å; N104-D107 PolarHBondContact O-N 3.34Å
105N49.5Very low60.4Low78 Ų7893.5 Ų93.542%0.41746%0.464SS..THydrogen-bonded Turntrans-64.1-0.7179.6-80.64.8000114.6L101 D107L101-N105 PolarHBondContact O-N 3.35Å; L101-N105 PolarHBondContact O-OD1 2.82Å; N105-D107 PolarHBondContact O-N 2.81Å
106N47.3Very low58.7Low131 Ų131100.6 Ų100.670%0.70150%0.502SS*.THydrogen-bonded Turntrans-65.1-18.4164.9-73.9-1000112.2N104N104-N106 PolarHBondContact O-N 3.48Å
107D36.4Very low57.5Low122 Ų122104.5 Ų104.565%0.65252%0.523SS*.SBendtrans-113140.4172.7-62.7-41.8000109.3N104 N105N104-D107 PolarHBondContact O-N 3.34Å; N105-D107 PolarHBondContact O-N 2.81Å
108I38.8Very low56.4Low140 Ų140106.8 Ų106.872%0.71853%0.534SS*.  trans107.488.2169.5-51.9153.4000115.2
109K41.4Very low56Low150 Ų150107.7 Ų107.765%0.65254%0.54SS*.  164.5113.596.4-110.8166.8-170.6-177.30110.2N111K109-N111 PolarHBondContact O-N 2.94Å
110K37.1Very low55.9Low193 Ų193112.7 Ų112.784%0.83956%0.56SS**  trans-83.3103.6165.5-74.5177.5178176.10108.8
111N37.8Very low56.1Low109 Ų109111.7 Ų111.758%0.58356%0.555SS**  trans-98.3124.6156.9-79.3-5.2000108K109 I113 I185K109-N111 PolarHBondContact O-N 2.94Å; N111-I113 PolarHBondContact O-N 3.32Å; N111-I185 WeakPolarHBondContact O-CD1 3.09Å
112Q37.9Very low56.7Low199 Ų199110 Ų11093%0.9354%0.543SS*.  trans-76.1109.2174.5-72.6176.8-20.200109
113I43.8Very low57.7Low120 Ų120108.7 Ų108.762%0.61554%0.536SS*.  trans-137.1151.5166.2-58.6-178.5000108.8N111 K115 I185N111-I113 PolarHBondContact O-N 3.32Å; I113-K115 PolarHBondContact O-N 3.19Å; I113-I185 WeakPolarHBondContact O-CG2 3.48Å
114N42.6Very low58.9Low131 Ų131106.2 Ų106.270%0.70152%0.519SS*.  trans-44.7123.9-167.6-72.2-19.7000115.7N116N114-N116 PolarHBondContact O-N 3.34Å
115K51.3Low60.7Low171 Ų171102 Ų10274%0.74350%0.496SS*.THydrogen-bonded Turntrans-62.77.9175.9-73.2-177.9172.8-178.20116.2I113I113-K115 PolarHBondContact O-N 3.19Å
116N53.9Low62.8Low148 Ų14898.3 Ų98.379%0.79148%0.477SS*.THydrogen-bonded Turntrans-106.70-165.5-70.58.9000114.9N114N114-N116 PolarHBondContact O-N 3.34Å
117I64.5Low65Low104 Ų10492.3 Ų92.353%0.53345%0.446SS..PPolyproline II helixtrans-96.1121173.7-60.6168.9000107.3L186I117-L186 HydrophobicContact CB-CD2 3.65Å; I117-L186 HydrophobicContact CG2-CD2 4.08Å; I117-L186 WeakPolarHBondContact O-CD2 3.39Å
118I65.4Low67.5Low103 Ų10387.2 Ų87.253%0.52842%0.419SS..EExtended strand (participates in β ladder)trans-97.4118.8171.8-59.4176000106.4N187 L189I118-N187 VanDerWaalsContact CA-O 3.29Å; I118-N187 WeakPolarHBondContact CA-O 3.47Å; I118-N187 HydrophobicContact CG1-CB 4.11Å; I118-N187 WeakPolarHBondContact CG2-O 3.38Å; I118-L189 HydrophobicContact CG2-CB 4.08Å
119D79.2Confident69.9Low33 Ų3380.5 Ų80.518%0.17639%0.385CS..EExtended strand (participates in β ladder)trans-83.9140.8170-77-10.1000109.4Y121 L186 N187 L189 Y354D119-Y121 HydrophobicContact CB-CD2 4.08Å; D119-Y121 HydrophobicContact CB-CE2 3.36Å; D119-Y121 PolarHBondContact OD2-OH 2.68Å; D119-L186 WeakPolarHBondContact OD2-CD1 3.33Å; D119-N187 PolarHBondContact N-O 2.95Å; D119-L189 PolarHBondContact O-N 3.24Å; D119-Y354 PolarHBondContact OD2-OH 3.27Å
120Y84.2Confident72.1Confident105 Ų10573.4 Ų73.441%0.41235%0.354SS..EExtended strand (participates in β ladder)trans-116123.4175-178.5-101.9000110.9K122 M175 L189 K191Y120-K122 HydrophobicContact CE1-CG 4.12Å; Y120-M175 HydrophobicContact CE2-CE 3.73Å; Y120-L189 WeakPolarHBondContact CA-O 3.3Å; Y120-L189 HydrophobicContact CD2-CB 4.11Å; Y120-L189 HydrophobicContact CD2-CD2 3.74Å; Y120-L189 HydrophobicContact CD2-CG 4.1Å; Y120-L189 HydrophobicContact CE2-CD2 3.97Å; Y120-L189 HydrophobicContact CE2-CG 4.39Å; Y120-K191 HydrophobicContact CE2-CB 4.2Å; Y120-K191 WeakPolarHBondContact OH-CB 3.19Å; Y120-K191 WeakPolarHBondContact OH-CD 3.33Å
121Y89.8Confident74.2Confident45 Ų4565 Ų6518%0.17632%0.319CS..EExtended strand (participates in β ladder)trans-126.2154.1176.5-60.1-79.9000112D119 T188 L189 I190 K191 H242 L353 Y354D119-Y121 HydrophobicContact CB-CD2 4.08Å; D119-Y121 HydrophobicContact CB-CE2 3.36Å; D119-Y121 PolarHBondContact OD2-OH 2.68Å; Y121-T188 HydrophobicContact CD2-CG2 3.61Å; Y121-T188 HydrophobicContact CE2-CG2 3.9Å; Y121-L189 PolarHBondContact N-O 3.05Å; Y121-I190 CarbonylContact O-C 3.57Å; Y121-I190 VanDerWaalsContact O-CA 3.32Å; Y121-I190 WeakPolarHBondContact O-CA 3.45Å; Y121-K191 PolarHBondContact O-N 3.39Å; Y121-H242 HydrophobicContact CD1-CB 4.29Å; Y121-H242 AromaticContact CD1-CD2 3.82Å; Y121-H242 AromaticContact CD1-CG 3.88Å; Y121-L353 HydrophobicContact CD1-CD2 3.7Å; Y121-L353 HydrophobicContact CD2-CD1 3.85Å; Y121-L353 HydrophobicContact CD2-CD2 3.83Å; Y121-L353 HydrophobicContact CD2-CG 4.37Å; Y121-L353 HydrophobicContact CE1-CD2 4.33Å; Y121-L353 HydrophobicContact CE2-CD1 4.36Å; Y121-L353 HydrophobicContact CE2-CD2 4.43Å; Y121-L353 HydrophobicContact CG-CD1 4.25Å; Y121-L353 HydrophobicContact CG-CD2 3.42Å; Y121-L353 VanDerWaalsContact CG-CD2 3.42Å; Y121-L353 HydrophobicContact CG-CG 4.41Å; Y121-Y354 HydrophobicContact CE2-CE1 4.25Å; Y121-Y354 AromaticContact CE2-CZ 3.96Å
122K91.6Very high76.2Confident59 Ų5960.8 Ų60.826%0.25730%0.297SS..EExtended strand (participates in β ladder)trans-107.3127.3171.6-65.8177.9175.8-178.20108.8Y120 E240 H242Y120-K122 HydrophobicContact CE1-CG 4.12Å; K122-E240 HydrophobicContact CD-CB 4.44Å; K122-E240 WeakPolarHBondContact CD-O 3.48Å; K122-E240 IonicContact NZ-OE2 2.6Å; K122-E240 PolarHBondContact NZ-OE2 2.84Å; K122-H242 PolarHBondContact N-ND1 3.3Å; K122-H242 PolarHBondContact O-N 3.25Å; K122-H242 PolarHBondContact O-ND1 2.98Å
123C94.3Very high77.9Confident0 Ų054.6 Ų54.60%028%0.276CS..EExtended strand (participates in β ladder)trans-124.1154.6175-63.90000109.5I190 K191 M192 T193 V243 L245C123-I190 HydrophobicContact CB-CG2 3.75Å; C123-I190 VanDerWaalsContact SG-CG2 3.5Å; C123-K191 PolarHBondContact N-O 2.94Å; C123-M192 HydrophobicContact CB-CE 3.58Å; C123-M192 HydrophobicContact CB-SD 3.51Å; C123-M192 VanDerWaalsContact CB-SD 3.51Å; C123-M192 CarbonylContact O-C 3.54Å; C123-M192 WeakPolarHBondContact O-CA 3.42Å; C123-T193 PolarHBondContact O-N 2.79Å; C123-V243 WeakPolarHBondContact CA-O 3.19Å; C123-V243 HydrophobicContact CB-CB 4.5Å; C123-L245 HydrophobicContact CB-CD1 4.18Å
124I94.2Very high79.7Confident0 Ų052.4 Ų52.40%027%0.266CS..EExtended strand (participates in β ladder)trans-132.5134.9178.1-169.3172.5000110.3I126 T193 I195 L237 L238 C241 V243 I244 L245I124-I126 HydrophobicContact CD1-CG2 4.43Å; I124-I126 HydrophobicContact CG1-CG2 4.22Å; I124-T193 CarbonylContact C-O 3.56Å; I124-T193 VanDerWaalsContact CA-O 3.31Å; I124-T193 WeakPolarHBondContact CA-O 3.23Å; I124-T193 WeakPolarHBondContact CG1-O 3.34Å; I124-I195 HydrophobicContact CD1-CD1 3.54Å; I124-I195 HydrophobicContact CD1-CG1 4.46Å; I124-I195 HydrophobicContact CG1-CD1 3.93Å; I124-I195 HydrophobicContact CG1-CG1 4.41Å; I124-L237 HydrophobicContact CD1-CB 3.71Å; I124-L238 HydrophobicContact CD1-CD2 4.34Å; I124-L238 HydrophobicContact CG2-CD2 4.11Å; I124-C241 HydrophobicContact CB-CB 4.3Å; I124-C241 HydrophobicContact CG2-CB 3.87Å; I124-V243 PolarHBondContact N-O 3.1Å; I124-I244 HydrophobicContact CG2-CB 4.07Å; I124-I244 HydrophobicContact CG2-CG1 3.78Å; I124-I244 HydrophobicContact CG2-CG2 4.05Å; I124-L245 PolarHBondContact O-N 2.95Å
125M94.4Very high81.6Confident0 Ų046.2 Ų46.20%023%0.233CC..EExtended strand (participates in β ladder)trans-112121.6175.6-80170.465.500109.6I130 L139 I143 M192 T193 I195 L245 I247M125-I130 HydrophobicContact CE-CD1 3.46Å; M125-I130 VanDerWaalsContact CE-CD1 3.46Å; M125-I130 HydrophobicContact CE-CG1 4.42Å; M125-L139 HydrophobicContact CE-CB 4.21Å; M125-L139 HydrophobicContact CE-CD1 4.26Å; M125-I143 HydrophobicContact CE-CD1 3.65Å; M125-I143 HydrophobicContact SD-CD1 3.3Å; M125-I143 WeakPolarHBondContact SD-CD1 3.41Å; M125-M192 HydrophobicContact CB-SD 4.36Å; M125-M192 HydrophobicContact CG-CE 4.34Å; M125-M192 HydrophobicContact CG-CG 4.33Å; M125-M192 HydrophobicContact CG-SD 3.56Å; M125-M192 VanDerWaalsContact CG-SD 3.56Å; M125-M192 HydrophobicContact SD-CE 3.98Å; M125-M192 HydrophobicContact SD-CG 3.78Å; M125-M192 HydrophobicContact SD-SD 3.62Å; M125-M192 VanDerWaalsContact SD-SD 3.62Å; M125-T193 PolarHBondContact N-O 2.83Å; M125-I195 PolarHBondContact O-N 2.92Å; M125-L245 WeakPolarHBondContact CA-O 3.36Å; M125-L245 HydrophobicContact CG-CB 3.65Å; M125-L245 HydrophobicContact CG-CD1 4.4Å; M125-L245 HydrophobicContact CG-CD2 3.87Å; M125-L245 HydrophobicContact CG-CG 4.19Å; M125-L245 HydrophobicContact SD-CD2 4.25Å; M125-I247 HydrophobicContact CE-CG1 4.46Å
126I93.3Very high83.2Confident2 Ų238.9 Ų38.91%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-143.3170.3-178.247.6165.9000109.7I124 I195 L238 I244 L245 Y246 I247 I270I124-I126 HydrophobicContact CD1-CG2 4.43Å; I124-I126 HydrophobicContact CG1-CG2 4.22Å; I126-I195 HydrophobicContact CG2-CB 3.75Å; I126-I195 HydrophobicContact CG2-CD1 3.29Å; I126-I195 HydrophobicContact CG2-CG1 3.88Å; I126-I195 HydrophobicContact CG2-CG2 4.48Å; I126-L238 HydrophobicContact CD1-CD2 3.99Å; I126-I244 HydrophobicContact CD1-CG2 3.92Å; I126-I244 HydrophobicContact CG1-CG2 4.11Å; I126-L245 PolarHBondContact N-O 2.98Å; I126-L245 VanDerWaalsContact O-O 3.06Å; I126-Y246 HydrophobicContact CD1-CD2 4.17Å; I126-Y246 HydrophobicContact CG1-CD2 4.18Å; I126-Y246 CarbonylContact O-C 3.59Å; I126-Y246 VanDerWaalsContact O-CA 3.27Å; I126-Y246 WeakPolarHBondContact O-CA 3.5Å; I126-I247 PolarHBondContact O-N 3.28Å; I126-I270 HydrophobicContact CD1-CD1 3.6Å; I126-I270 HydrophobicContact CD1-CG1 4.35Å
127G92.4Very high84.6Confident4 Ų439 Ų394%0.04119%0.191CC..SBendtrans115167.7171.800000112.9G129 I130 D131 R208 I247G127-G129 PolarHBondContact O-N 2.96Å; G127-G129 VanDerWaalsContact O-N 3.15Å; G127-I130 PolarHBondContact O-N 3.37Å; G127-D131 PolarHBondContact O-N 2.79Å; G127-R208 VanDerWaalsContact C-NH1 3.32Å; G127-I247 CarbonylContact C-O 3.53Å; G127-I247 VanDerWaalsContact C-O 3.3Å
128P89.6Confident85.7Confident15 Ų1535.4 Ų35.410%0.09717%0.173CC..Hα-helixtrans-64.8-25.9-169.425.1-32.3000112.9I130 D131 S132 R208 Y246 I247 I248 L258 I263P128-I130 VanDerWaalsContact C-N 3.29Å; P128-I130 PolarHBondContact O-N 2.81Å; P128-D131 WeakPolarHBondContact CA-OD2 3.45Å; P128-D131 PolarHBondContact O-N 3.09Å; P128-S132 PolarHBondContact O-N 3.24Å; P128-R208 VanDerWaalsContact CD-NH1 3.3Å; P128-R208 VanDerWaalsContact CD-NH2 3.29Å; P128-R208 VanDerWaalsContact N-NH1 3.12Å; P128-Y246 WeakPolarHBondContact CD-OH 3.45Å; P128-I247 WeakPolarHBondContact CD-O 3.48Å; P128-I248 HydrophobicContact CG-CG1 4.29Å; P128-L258 HydrophobicContact CB-CD2 4.29Å; P128-I263 HydrophobicContact CG-CD1 3.92Å; P128-I263 HydrophobicContact CG-CG1 4.03Å
129G89.6Confident86.8Confident0 Ų030.5 Ų30.50%015%0.148CC..Hα-helixtrans-70.4-25175.700000113.4G127 I135 I247G127-G129 PolarHBondContact O-N 2.96Å; G127-G129 VanDerWaalsContact O-N 3.15Å; G129-I135 WeakPolarHBondContact O-CB 3.22Å; G129-I135 VanDerWaalsContact O-CG2 3.3Å; G129-I135 WeakPolarHBondContact O-CG2 3.25Å; G129-I247 PolarHBondContact N-O 3.02Å
130I86.7Confident87.2Confident0 Ų030 Ų300%015%0.145CC..Hα-helixtrans-82.7-20.6173.7-68.6-71.2000111.5M125 G127 P128 S132 N136 L139 I195 I196 I247M125-I130 HydrophobicContact CE-CD1 3.46Å; M125-I130 VanDerWaalsContact CE-CD1 3.46Å; M125-I130 HydrophobicContact CE-CG1 4.42Å; G127-I130 PolarHBondContact O-N 3.37Å; P128-I130 VanDerWaalsContact C-N 3.29Å; P128-I130 PolarHBondContact O-N 2.81Å; I130-S132 VanDerWaalsContact C-N 3.29Å; I130-N136 VanDerWaalsContact O-CB 3.23Å; I130-N136 WeakPolarHBondContact O-CB 3.41Å; I130-N136 VanDerWaalsContact O-CG 3.22Å; I130-N136 PolarHBondContact O-ND2 2.82Å; I130-L139 HydrophobicContact CD1-CD1 3.83Å; I130-I195 WeakPolarHBondContact CG2-O 3.37Å; I130-I196 HydrophobicContact CG2-CG2 3.51Å; I130-I247 HydrophobicContact CD1-CB 4.46Å; I130-I247 HydrophobicContact CD1-CG1 3.95Å; I130-I247 HydrophobicContact CG1-CB 3.75Å; I130-I247 HydrophobicContact CG1-CG1 3.49Å; I130-I247 VanDerWaalsContact CG1-CG1 3.49Å; I130-I247 HydrophobicContact CG1-CG2 4.32Å
131D82.8Confident87.2Confident18 Ų1829 Ų2910%0.09615%0.147CC..Hα-helixtrans-73.9-23.1170.8-55.2-36.8000111.6G127 P128 L203 R208G127-D131 PolarHBondContact O-N 2.79Å; P128-D131 WeakPolarHBondContact CA-OD2 3.45Å; P128-D131 PolarHBondContact O-N 3.09Å; D131-L203 HydrophobicContact CB-CD1 4.14Å; D131-L203 HydrophobicContact CB-CG 4.36Å; D131-L203 WeakPolarHBondContact OD2-CD1 3.45Å; D131-R208 WeakPolarHBondContact OD2-CD 3.28Å; D131-R208 IonicContact OD2-CZ 2.66Å; D131-R208 IonicContact OD2-NE 3.11Å; D131-R208 IonicContact OD2-NH1 3.45Å
132S77.9Confident87Confident19 Ų1928 Ų2813%0.13314%0.142CC..SBendtrans-72.9121.7174.7172.50000111.5P128 I130 N134 I135 N136P128-S132 PolarHBondContact O-N 3.24Å; I130-S132 VanDerWaalsContact C-N 3.29Å; S132-N134 VanDerWaalsContact C-N 3.28Å; S132-N134 PolarHBondContact O-N 3.32Å; S132-I135 PolarHBondContact O-N 3.37Å; S132-N136 WeakPolarHBondContact O-CB 3.36Å; S132-N136 PolarHBondContact O-N 2.94Å
133S73.9Confident86.8Confident70 Ų7025.2 Ų25.249%0.4913%0.13SC..Hα-helixtrans-58.8-35.8-178.161.10000113.4R137S133-R137 WeakPolarHBondContact O-CB 3.4Å; S133-R137 PolarHBondContact O-N 2.88Å
134N81.2Confident86.3Confident73 Ų7327.8 Ų27.839%0.3914%0.144SC..Hα-helixtrans-72.8-53.8-179.4-78.1-17.3000112.4S132 L138S132-N134 VanDerWaalsContact C-N 3.28Å; S132-N134 PolarHBondContact O-N 3.32Å; N134-L138 WeakPolarHBondContact O-CG 3.47Å; N134-L138 PolarHBondContact O-N 3.09Å
135I83.9Confident85.8Confident2 Ų233.3 Ų33.31%0.0117%0.173CC..Hα-helixtrans-65.4-46.1-178.3-66.7-61.6000110.7G129 S132 R137 L138 L139 I247 D249 A285 N287 Y342G129-I135 WeakPolarHBondContact O-CB 3.22Å; G129-I135 VanDerWaalsContact O-CG2 3.3Å; G129-I135 WeakPolarHBondContact O-CG2 3.25Å; S132-I135 PolarHBondContact O-N 3.37Å; I135-R137 PolarHBondContact O-N 2.92Å; I135-L138 PolarHBondContact O-N 3.05Å; I135-L139 HydrophobicContact CG2-CD1 3.69Å; I135-L139 HydrophobicContact CG2-CG 4.36Å; I135-L139 WeakPolarHBondContact O-CB 3.47Å; I135-L139 WeakPolarHBondContact O-CG 3.38Å; I135-L139 PolarHBondContact O-N 3.46Å; I135-I247 HydrophobicContact CG2-CG2 4.23Å; I135-D249 HydrophobicContact CG1-CB 4.34Å; I135-D249 VanDerWaalsContact CG1-OD2 3.25Å; I135-D249 WeakPolarHBondContact CG1-OD2 3.41Å; I135-A285 HydrophobicContact CG2-CB 3.81Å; I135-N287 HydrophobicContact CD1-CB 4.49Å; I135-Y342 PolarHBondContact O-OH 2.95Å
136N84.3Confident85.3Confident17 Ų1734.6 Ų34.69%0.09118%0.178CC..Hα-helixtrans-55.9-52.6177.5-176.76.9000112I130 S132 L138 L139 I140 I196I130-N136 VanDerWaalsContact O-CB 3.23Å; I130-N136 WeakPolarHBondContact O-CB 3.41Å; I130-N136 VanDerWaalsContact O-CG 3.22Å; I130-N136 PolarHBondContact O-ND2 2.82Å; S132-N136 WeakPolarHBondContact O-CB 3.36Å; S132-N136 PolarHBondContact O-N 2.94Å; N136-L138 VanDerWaalsContact C-N 3.33Å; N136-L138 PolarHBondContact O-N 3.44Å; N136-L139 PolarHBondContact O-N 3.28Å; N136-I140 WeakPolarHBondContact O-CB 3.48Å; N136-I140 WeakPolarHBondContact O-CG1 3.38Å; N136-I140 PolarHBondContact O-N 2.82Å; N136-I140 WeakPolarHBondContact OD1-CD1 3.26Å; N136-I140 WeakPolarHBondContact OD1-CG1 3.23Å; N136-I196 WeakPolarHBondContact ND2-CG2 3.37Å
137R83.9Confident84.4Confident150 Ų15035.8 Ų35.857%0.56619%0.186SC*.Hα-helixtrans-57.4-45.5179.8-178.6179.665.4171.1-1.5111.8S133 I135 N141S133-R137 WeakPolarHBondContact O-CB 3.4Å; S133-R137 PolarHBondContact O-N 2.88Å; I135-R137 PolarHBondContact O-N 2.92Å; R137-N141 VanDerWaalsContact O-CB 3.23Å; R137-N141 WeakPolarHBondContact O-CB 3.42Å; R137-N141 PolarHBondContact O-N 3.17Å; R137-N141 PolarHBondContact O-ND2 3.37Å; R137-N141 PolarHBondContact O-OD1 3.29Å
138L86.1Confident83.2Confident29 Ų2936.6 Ų36.615%0.15219%0.19CC..Hα-helixtrans-65.4-42.2179.4-68.7172.1000111.7N134 I135 N136 Y142 N287 Y342N134-L138 WeakPolarHBondContact O-CG 3.47Å; N134-L138 PolarHBondContact O-N 3.09Å; I135-L138 PolarHBondContact O-N 3.05Å; N136-L138 VanDerWaalsContact C-N 3.33Å; N136-L138 PolarHBondContact O-N 3.44Å; L138-Y142 WeakPolarHBondContact O-CB 3.37Å; L138-Y142 PolarHBondContact O-N 2.97Å; L138-N287 HydrophobicContact CD1-CB 4.32Å; L138-Y342 HydrophobicContact CB-CE2 3.59Å
139L88.9Confident81.6Confident0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-66.2-47.2179.7-79.4170000111.3M125 I130 I135 N136 Y142 I143 I247 A285 Y342 L345M125-L139 HydrophobicContact CE-CB 4.21Å; M125-L139 HydrophobicContact CE-CD1 4.26Å; I130-L139 HydrophobicContact CD1-CD1 3.83Å; I135-L139 HydrophobicContact CG2-CD1 3.69Å; I135-L139 HydrophobicContact CG2-CG 4.36Å; I135-L139 WeakPolarHBondContact O-CB 3.47Å; I135-L139 WeakPolarHBondContact O-CG 3.38Å; I135-L139 PolarHBondContact O-N 3.46Å; N136-L139 PolarHBondContact O-N 3.28Å; L139-Y142 PolarHBondContact O-N 3.15Å; L139-I143 WeakPolarHBondContact O-CB 3.46Å; L139-I143 VanDerWaalsContact O-CG1 3.27Å; L139-I143 WeakPolarHBondContact O-CG1 3.27Å; L139-I143 PolarHBondContact O-N 2.67Å; L139-I247 HydrophobicContact CD1-CG1 4.35Å; L139-I247 HydrophobicContact CD1-CG2 3.79Å; L139-A285 HydrophobicContact CD1-CB 4.3Å; L139-Y342 HydrophobicContact CB-CE2 4.21Å; L139-Y342 HydrophobicContact CD2-CD1 4.02Å; L139-Y342 HydrophobicContact CD2-CD2 3.54Å; L139-Y342 HydrophobicContact CD2-CE1 4Å; L139-Y342 HydrophobicContact CD2-CE2 3.5Å; L139-Y342 HydrophobicContact CD2-CG 3.77Å; L139-Y342 HydrophobicContact CG-CD2 4.1Å; L139-Y342 HydrophobicContact CG-CE1 4.34Å; L139-Y342 HydrophobicContact CG-CE2 3.54Å; L139-L345 HydrophobicContact CD2-CD2 4.22Å
140I87.3Confident80Confident22 Ų2249.1 Ų49.111%0.11326%0.255CS..Hα-helixtrans-61.7-48.5177.6-70.4-177.6000110.3N136 Y142 I143 L144 I174N136-I140 WeakPolarHBondContact O-CB 3.48Å; N136-I140 WeakPolarHBondContact O-CG1 3.38Å; N136-I140 PolarHBondContact O-N 2.82Å; N136-I140 WeakPolarHBondContact OD1-CD1 3.26Å; N136-I140 WeakPolarHBondContact OD1-CG1 3.23Å; I140-Y142 PolarHBondContact O-N 3.47Å; I140-I143 PolarHBondContact O-N 2.95Å; I140-I143 VanDerWaalsContact O-N 3.17Å; I140-L144 HydrophobicContact CG2-CD1 3.87Å; I140-L144 HydrophobicContact CG2-CG 4.18Å; I140-L144 WeakPolarHBondContact O-CB 3.26Å; I140-L144 VanDerWaalsContact O-CG 3.31Å; I140-L144 WeakPolarHBondContact O-CG 3.47Å; I140-L144 PolarHBondContact O-N 2.84Å; I140-I174 HydrophobicContact CG2-CD1 4.11Å
141N85.5Confident78.4Confident85 Ų8555.8 Ų55.846%0.45529%0.286SS..Hα-helixtrans-56.5-41.7178.4-75.9-8000111.7R137 L144 N145R137-N141 VanDerWaalsContact O-CB 3.23Å; R137-N141 WeakPolarHBondContact O-CB 3.42Å; R137-N141 PolarHBondContact O-N 3.17Å; R137-N141 PolarHBondContact O-ND2 3.37Å; R137-N141 PolarHBondContact O-OD1 3.29Å; N141-L144 PolarHBondContact O-N 3.4Å; N141-N145 PolarHBondContact O-N 2.92Å
142Y86.1Confident76.8Confident23 Ų2356.3 Ų56.39%0.0929%0.289CS..Hα-helixtrans-67.2-45.2177.6179.3-109.1000112.6L138 L139 I140 L144 N145 W146 D341 L345L138-Y142 WeakPolarHBondContact O-CB 3.37Å; L138-Y142 PolarHBondContact O-N 2.97Å; L139-Y142 PolarHBondContact O-N 3.15Å; I140-Y142 PolarHBondContact O-N 3.47Å; Y142-L144 VanDerWaalsContact C-N 3.26Å; Y142-L144 PolarHBondContact O-N 3.29Å; Y142-N145 VanDerWaalsContact O-CB 3.28Å; Y142-N145 WeakPolarHBondContact O-CB 3.24Å; Y142-N145 PolarHBondContact O-N 3.26Å; Y142-N145 VanDerWaalsContact O-N 3.09Å; Y142-W146 HydrophobicContact CD1-CH2 4.27Å; Y142-W146 HydrophobicContact CD1-CZ2 4.14Å; Y142-W146 AromaticContact CE1-CE2 3.73Å; Y142-W146 AromaticContact CE1-CH2 3.48Å; Y142-W146 HydrophobicContact CE1-CH2 3.48Å; Y142-W146 VanDerWaalsContact CE1-CH2 3.48Å; Y142-W146 AromaticContact CE1-CZ2 3.11Å; Y142-W146 HydrophobicContact CE1-CZ2 3.11Å; Y142-W146 HydrophobicContact CE1-CZ3 4.36Å; Y142-W146 AromaticContact CZ-CE2 3.8Å; Y142-W146 AromaticContact CZ-CZ2 3.39Å; Y142-W146 AromaticContact CZ-NE1 3.91Å; Y142-W146 VanDerWaalsContact OH-CZ2 3.28Å; Y142-W146 WeakPolarHBondContact OH-CZ2 3.38Å; Y142-D341 HydrophobicContact CD2-CB 4.21Å; Y142-D341 HydrophobicContact CE2-CB 3.87Å; Y142-D341 WeakPolarHBondContact CE2-OD1 3.49Å; Y142-D341 WeakPolarHBondContact CE2-OD2 3.36Å; Y142-D341 VanDerWaalsContact CZ-CG 3.48Å; Y142-D341 PolarHBondContact OH-OD1 2.86Å; Y142-D341 PolarHBondContact OH-OD2 2.97Å; Y142-L345 HydrophobicContact CD1-CD2 3.69Å; Y142-L345 HydrophobicContact CE1-CB 4.01Å; Y142-L345 HydrophobicContact CE1-CD2 3.93Å
143I87.4Confident75.4Confident0 Ų060.6 Ų60.60%032%0.316CS..Hα-helixtrans-61.8-36.3177-71.2169.2000111.2M125 L139 I140 N145 W146 I174 I176 L345M125-I143 HydrophobicContact CE-CD1 3.65Å; M125-I143 HydrophobicContact SD-CD1 3.3Å; M125-I143 WeakPolarHBondContact SD-CD1 3.41Å; L139-I143 WeakPolarHBondContact O-CB 3.46Å; L139-I143 VanDerWaalsContact O-CG1 3.27Å; L139-I143 WeakPolarHBondContact O-CG1 3.27Å; L139-I143 PolarHBondContact O-N 2.67Å; I140-I143 PolarHBondContact O-N 2.95Å; I140-I143 VanDerWaalsContact O-N 3.17Å; I143-N145 PolarHBondContact O-N 3.08Å; I143-W146 HydrophobicContact CG1-CZ3 4.39Å; I143-W146 WeakPolarHBondContact O-CB 3.28Å; I143-W146 PolarHBondContact O-N 3.34Å; I143-I174 HydrophobicContact CG2-CD1 4.3Å; I143-I174 HydrophobicContact CG2-CG2 4.28Å; I143-I176 HydrophobicContact CG2-CD1 4.14Å; I143-I176 HydrophobicContact CG2-CG2 3.61Å; I143-I176 WeakPolarHBondContact O-CG2 3.13Å; I143-L345 HydrophobicContact CD1-CD2 4.25Å; I143-L345 HydrophobicContact CG1-CD2 3.93Å
144L83.9Confident74.4Confident54 Ų5464.7 Ų64.728%0.28333%0.333SS..Hα-helixtrans-62.4-26.9175.9-74.4172.4000112.9I140 N141 Y142 W146 S147 I174I140-L144 HydrophobicContact CG2-CD1 3.87Å; I140-L144 HydrophobicContact CG2-CG 4.18Å; I140-L144 WeakPolarHBondContact O-CB 3.26Å; I140-L144 VanDerWaalsContact O-CG 3.31Å; I140-L144 WeakPolarHBondContact O-CG 3.47Å; I140-L144 PolarHBondContact O-N 2.84Å; N141-L144 PolarHBondContact O-N 3.4Å; Y142-L144 VanDerWaalsContact C-N 3.26Å; Y142-L144 PolarHBondContact O-N 3.29Å; L144-W146 PolarHBondContact O-N 2.69Å; L144-W146 VanDerWaalsContact O-N 3.15Å; L144-S147 VanDerWaalsContact O-CB 3.24Å; L144-S147 WeakPolarHBondContact O-CB 3.35Å; L144-S147 PolarHBondContact O-N 2.83Å; L144-S147 PolarHBondContact O-OG 3.22Å; L144-I174 HydrophobicContact CD2-CD1 4.46Å; L144-I174 HydrophobicContact CD2-CG2 3.83Å
145N82.8Confident73Confident116 Ų11666.9 Ų66.962%0.6234%0.344SS*.THydrogen-bonded Turntrans-63.8-17.5172.6-64-28.3000112.9N141 Y142 I143N141-N145 PolarHBondContact O-N 2.92Å; Y142-N145 VanDerWaalsContact O-CB 3.28Å; Y142-N145 WeakPolarHBondContact O-CB 3.24Å; Y142-N145 PolarHBondContact O-N 3.26Å; Y142-N145 VanDerWaalsContact O-N 3.09Å; I143-N145 PolarHBondContact O-N 3.08Å
146W83.1Confident71.6Confident28 Ų2869.4 Ų69.411%0.10636%0.355CS..THydrogen-bonded Turntrans-96.70.5174.7-57.1-21.7000113Y142 I143 L144 I176 Q177 L178 P179 L345 A346 I349Y142-W146 HydrophobicContact CD1-CH2 4.27Å; Y142-W146 HydrophobicContact CD1-CZ2 4.14Å; Y142-W146 AromaticContact CE1-CE2 3.73Å; Y142-W146 AromaticContact CE1-CH2 3.48Å; Y142-W146 HydrophobicContact CE1-CH2 3.48Å; Y142-W146 VanDerWaalsContact CE1-CH2 3.48Å; Y142-W146 AromaticContact CE1-CZ2 3.11Å; Y142-W146 HydrophobicContact CE1-CZ2 3.11Å; Y142-W146 HydrophobicContact CE1-CZ3 4.36Å; Y142-W146 AromaticContact CZ-CE2 3.8Å; Y142-W146 AromaticContact CZ-CZ2 3.39Å; Y142-W146 AromaticContact CZ-NE1 3.91Å; Y142-W146 VanDerWaalsContact OH-CZ2 3.28Å; Y142-W146 WeakPolarHBondContact OH-CZ2 3.38Å; I143-W146 HydrophobicContact CG1-CZ3 4.39Å; I143-W146 WeakPolarHBondContact O-CB 3.28Å; I143-W146 PolarHBondContact O-N 3.34Å; L144-W146 PolarHBondContact O-N 2.69Å; L144-W146 VanDerWaalsContact O-N 3.15Å; W146-I176 HydrophobicContact CB-CB 3.96Å; W146-I176 HydrophobicContact CB-CG2 4.2Å; W146-I176 HydrophobicContact CE3-CD1 3.91Å; W146-I176 HydrophobicContact CZ3-CD1 4.42Å; W146-I176 CarbonylContact O-C 3.56Å; W146-I176 WeakPolarHBondContact O-CA 3.18Å; W146-Q177 WeakPolarHBondContact CB-O 3.5Å; W146-Q177 PolarHBondContact O-N 3.48Å; W146-L178 HydrophobicContact CE3-CD1 4.31Å; W146-L178 HydrophobicContact CH2-CD1 4.37Å; W146-L178 HydrophobicContact CZ3-CD1 3.99Å; W146-P179 HydrophobicContact CD2-CG 4.43Å; W146-P179 HydrophobicContact CZ2-CG 4.06Å; W146-L345 HydrophobicContact CH2-CB 4.1Å; W146-L345 HydrophobicContact CH2-CD2 4.02Å; W146-L345 HydrophobicContact CH2-CG 4.03Å; W146-L345 HydrophobicContact CZ3-CD2 4.21Å; W146-L345 HydrophobicContact CZ3-CG 4.45Å; W146-A346 HydrophobicContact CH2-CB 3.74Å; W146-A346 HydrophobicContact CZ2-CB 3.66Å; W146-I349 HydrophobicContact CH2-CD1 4.41Å; W146-I349 HydrophobicContact CZ3-CD1 3.83Å
147S76Confident70.5Confident26 Ų2672.9 Ų72.918%0.18237%0.373CS..BIsolated β-bridgetrans-64.7137.7177.167.30000110.6L144 L149 M175L144-S147 VanDerWaalsContact O-CB 3.24Å; L144-S147 WeakPolarHBondContact O-CB 3.35Å; L144-S147 PolarHBondContact O-N 2.83Å; L144-S147 PolarHBondContact O-OG 3.22Å; S147-L149 PolarHBondContact O-N 2.92Å; S147-M175 WeakPolarHBondContact CA-O 3.38Å
148I66.8Low69.4Low21 Ų2169.3 Ų69.311%0.10837%0.365CS..  trans-89.495.4174-43.5175.6000107.4D150 Q151 I152 F156 Q177 L189I148-D150 PolarHBondContact O-N 3.4Å; I148-Q151 HydrophobicContact CB-CB 4.39Å; I148-Q151 HydrophobicContact CG2-CB 3.61Å; I148-Q151 HydrophobicContact CG2-CG 3.59Å; I148-I152 HydrophobicContact CB-CD1 4.16Å; I148-I152 HydrophobicContact CB-CG1 4.4Å; I148-F156 WeakPolarHBondContact O-CE1 3.48Å; I148-Q177 HydrophobicContact CD1-CB 3.63Å; I148-Q177 HydrophobicContact CD1-CG 4.31Å; I148-Q177 HydrophobicContact CG1-CB 3.52Å; I148-L189 HydrophobicContact CD1-CD1 3.48Å; I148-L189 VanDerWaalsContact CD1-CD1 3.48Å; I148-L189 HydrophobicContact CG1-CD1 4.42Å
149L55.1Low68.3Low120 Ų12072.2 Ų72.263%0.62839%0.385SS*.THydrogen-bonded Turntrans-62.7-27.6-179.5-70.6171000113S147 F156S147-L149 PolarHBondContact O-N 2.92Å; L149-F156 HydrophobicContact CB-CZ 4.49Å; L149-F156 HydrophobicContact CD2-CD1 4.4Å; L149-F156 HydrophobicContact CD2-CE1 3.86Å; L149-F156 HydrophobicContact CD2-CZ 4.01Å; L149-F156 WeakPolarHBondContact O-CZ 3.18Å
150D56.5Low67.2Low158 Ų15873.1 Ų73.185%0.84539%0.39SS*.THydrogen-bonded Turntrans-101.6-2-167.4-57.5-29.7000115I148I148-D150 PolarHBondContact O-N 3.4Å
151Q52.2Low66.1Low141 Ų14179 Ų7966%0.65942%0.42SS*.SBendtrans-125.14.3-169.4-63.3-174.1-4.400115.9I148I148-Q151 HydrophobicContact CB-CB 4.39Å; I148-Q151 HydrophobicContact CG2-CB 3.61Å; I148-Q151 HydrophobicContact CG2-CG 3.59Å
152I50.7Low65.1Low28 Ų2879.5 Ų79.514%0.14442%0.422CS..SBendtrans-130.1139.5-166.6-52.7-171000109.3I148 M175 L189I148-I152 HydrophobicContact CB-CD1 4.16Å; I148-I152 HydrophobicContact CB-CG1 4.4Å; I152-M175 HydrophobicContact CD1-CB 3.29Å; I152-M175 HydrophobicContact CD1-CE 4.34Å; I152-M175 HydrophobicContact CD1-CG 4.12Å; I152-M175 HydrophobicContact CG2-CB 4.22Å; I152-M175 HydrophobicContact CG2-CG 4.05Å; I152-L189 HydrophobicContact CD1-CD1 4.24Å
153P48Very low64.4Low109 Ų10979 Ų7971%0.70842%0.422SS*.  trans-55.7151178.820.5-32.4000112.1D155P153-D155 PolarHBondContact O-N 2.95Å
154D52Low63.4Low157 Ų15780.2 Ų80.284%0.8443%0.433SS*.SBendtrans-49.9-13.2-160.7-64.9-34.8000117.7F156D154-F156 PolarHBondContact O-N 3.42Å
155D51.9Low62.7Low118 Ų11883.8 Ų83.863%0.63145%0.452SS*.  trans-99.186.5179.5-59.7-35.4000111.7P153 I158P153-D155 PolarHBondContact O-N 2.95Å; D155-I158 HydrophobicContact CB-CD1 3.76Å; D155-I158 HydrophobicContact CB-CG1 3.39Å; D155-I158 WeakPolarHBondContact O-CG1 3.36Å
156F55.1Low62.4Low55 Ų5583.2 Ų83.224%0.24145%0.448CS..SBendtrans-67.2-33.1179.8-86.6-92.6000115I148 L149 D154I148-F156 WeakPolarHBondContact O-CE1 3.48Å; L149-F156 HydrophobicContact CB-CZ 4.49Å; L149-F156 HydrophobicContact CD2-CD1 4.4Å; L149-F156 HydrophobicContact CD2-CE1 3.86Å; L149-F156 HydrophobicContact CD2-CZ 4.01Å; L149-F156 WeakPolarHBondContact O-CZ 3.18Å; D154-F156 PolarHBondContact O-N 3.42Å
157I60.9Low62.3Low90 Ų9082.3 Ų82.346%0.46245%0.446SS..EExtended strand (participates in β ladder)trans-127.492.8179.1-66.5169.4000106.2I172 N173I157-I172 HydrophobicContact CB-CG2 4.32Å; I157-I172 HydrophobicContact CG1-CG2 4.11Å; I157-I172 HydrophobicContact CG2-CB 4.31Å; I157-I172 HydrophobicContact CG2-CG1 4.22Å; I157-I172 HydrophobicContact CG2-CG2 3.51Å; I157-N173 WeakPolarHBondContact CA-O 3.21Å
158I61.9Low62.6Low76 Ų7684.2 Ų84.239%0.3945%0.451SS..EExtended strand (participates in β ladder)trans-95.6121.7174.6-59164.3000107.3D155 N160 N173D155-I158 HydrophobicContact CB-CD1 3.76Å; D155-I158 HydrophobicContact CB-CG1 3.39Å; D155-I158 WeakPolarHBondContact O-CG1 3.36Å; I158-N160 PolarHBondContact O-N 2.91Å; I158-N173 PolarHBondContact O-N 2.95Å; I158-N173 PolarHBondContact O-ND2 3.03Å
159P62.5Low63.5Low89 Ų8983.4 Ų83.458%0.57845%0.447SS*.EExtended strand (participates in β ladder)trans-57126.2166.825.7-32.4000108I161 G171P159-I161 PolarHBondContact O-N 2.99Å; P159-G171 CarbonylContact C-O 3.59Å; P159-G171 WeakPolarHBondContact CA-O 3.47Å
160N65.5Low64.9Low20 Ų2079.9 Ų79.911%0.10743%0.429CS..  trans-62.6114.3177.2-172.9-23.9000108.9I158 N162 L163 G171 L237I158-N160 PolarHBondContact O-N 2.91Å; N160-N162 PolarHBondContact O-N 3.1Å; N160-N162 PolarHBondContact OD1-N 3.02Å; N160-N162 VanDerWaalsContact OD1-N 3.14Å; N160-L163 HydrophobicContact CB-CB 4.18Å; N160-L163 HydrophobicContact CB-CD1 3.91Å; N160-L163 HydrophobicContact CB-CG 4.4Å; N160-L163 PolarHBondContact O-N 3.05Å; N160-G171 PolarHBondContact N-O 3.47Å; N160-L237 VanDerWaalsContact ND2-CD2 3.28Å; N160-L237 WeakPolarHBondContact ND2-CD2 3.47Å
161I65.2Low66.3Low146 Ų14672.4 Ų72.475%0.74939%0.389SS*.THydrogen-bonded Turntrans-56.9-27.2-174.2-59.3167.2000111.7P159P159-I161 PolarHBondContact O-N 2.99Å
162N63.5Low67.9Low94 Ų9466.9 Ų66.950%0.50336%0.364SS..THydrogen-bonded Turntrans-87.3-10.7-178.3-61.4-16.2000113.7N160 E233N160-N162 PolarHBondContact O-N 3.1Å; N160-N162 PolarHBondContact OD1-N 3.02Å; N160-N162 VanDerWaalsContact OD1-N 3.14Å; N162-E233 WeakPolarHBondContact O-CB 3.43Å
163L72.5Confident69.6Low14 Ų1466.1 Ų66.17%0.07336%0.36CS..SBendtrans-98.5144.5179.2-86.9163000111N160 G171 I195 E233 I234 L237N160-L163 HydrophobicContact CB-CB 4.18Å; N160-L163 HydrophobicContact CB-CD1 3.91Å; N160-L163 HydrophobicContact CB-CG 4.4Å; N160-L163 PolarHBondContact O-N 3.05Å; L163-G171 VanDerWaalsContact CD1-CA 3.45Å; L163-I195 HydrophobicContact CD1-CD1 4.44Å; L163-I195 HydrophobicContact CD1-CG1 4.05Å; L163-E233 HydrophobicContact CD2-CB 4.41Å; L163-E233 HydrophobicContact CD2-CG 4.02Å; L163-I234 HydrophobicContact CD2-CD1 3.65Å; L163-L237 HydrophobicContact CD1-CD1 3.27Å; L163-L237 HydrophobicContact CD2-CD1 4.1Å; L163-L237 HydrophobicContact CG-CD1 3.67Å
164G65.7Low71.3Confident24 Ų2461 Ų6125%0.24733%0.327CS..SBendtrans89.28.417700000115S167 L169G164-S167 CarbonylContact C-O 3.56Å; G164-S167 WeakPolarHBondContact CA-O 3.44Å; G164-S167 PolarHBondContact N-OG 2.92Å; G164-L169 WeakPolarHBondContact CA-O 3.05Å; G164-L169 PolarHBondContact N-O 3.48Å
165I70.1Confident73Confident130 Ų13055 Ų5567%0.66729%0.294SS*.SBendtrans-73.2-44.4174.8-59.6174.8000109.8
166I74.4Confident74.6Confident104 Ų10449.4 Ų49.453%0.53326%0.264SS..SBendtrans-111.9-28179.3-55.2173.1000110.5L231I166-L231 HydrophobicContact CG2-CD2 4.4Å
167S81.3Confident76Confident9 Ų949.6 Ų49.66%0.06327%0.265CS..SBendtrans-91.7156.9-179.156.80000114.5G164 L169 K212 E233G164-S167 CarbonylContact C-O 3.56Å; G164-S167 WeakPolarHBondContact CA-O 3.44Å; G164-S167 PolarHBondContact N-OG 2.92Å; S167-L169 PolarHBondContact O-N 3.31Å; S167-K212 CarbonylContact C-O 3.42Å; S167-K212 WeakPolarHBondContact CA-O 2.87Å; S167-K212 VanDerWaalsContact CB-O 3.3Å; S167-K212 WeakPolarHBondContact CB-O 3.32Å; S167-E233 VanDerWaalsContact CB-OE1 3.32Å; S167-E233 WeakPolarHBondContact CB-OE1 3.43Å; S167-E233 PolarHBondContact N-OE1 3.1Å; S167-E233 PolarHBondContact OG-OE1 3.5Å
168E83.3Confident77.1Confident65 Ų6545.4 Ų45.430%0.30424%0.244SC..SBendtrans-80.611.4161.1-69.4179.3-170.500111.6K198 K212 Y213E168-K198 VanDerWaalsContact O-CB 3.31Å; E168-K198 WeakPolarHBondContact O-CB 3.48Å; E168-K198 PolarHBondContact O-N 2.83Å; E168-K212 HydrophobicContact CG-CB 4.45Å; E168-K212 PolarHBondContact N-O 2.91Å; E168-K212 WeakPolarHBondContact OE1-CD 3.32Å; E168-K212 IonicContact OE1-NZ 3.13Å; E168-K212 PolarHBondContact OE1-NZ 3.5Å; E168-K212 VanDerWaalsContact OE1-NZ 3.13Å; E168-Y213 HydrophobicContact CB-CD1 4.19Å; E168-Y213 HydrophobicContact CB-CE1 3.79Å; E168-Y213 VanDerWaalsContact OE2-CE1 3.31Å; E168-Y213 WeakPolarHBondContact OE2-CE1 3.37Å; E168-Y213 VanDerWaalsContact OE2-CZ 3.29Å; E168-Y213 PolarHBondContact OE2-OH 2.9Å
169L84.6Confident77.8Confident5 Ų544 Ų443%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-97.2145.9178.6-59.6-179.5000110.9G164 S167 I195 I196 P197 Y213 I234G164-L169 WeakPolarHBondContact CA-O 3.05Å; G164-L169 PolarHBondContact N-O 3.48Å; S167-L169 PolarHBondContact O-N 3.31Å; L169-I195 HydrophobicContact CB-CG2 3.82Å; L169-I195 HydrophobicContact CD1-CG2 3.57Å; L169-I195 HydrophobicContact CD2-CG2 4.47Å; L169-I195 HydrophobicContact CG-CG2 4.16Å; L169-I196 CarbonylContact C-O 3.53Å; L169-I196 VanDerWaalsContact CA-O 3.29Å; L169-I196 WeakPolarHBondContact CA-O 3.48Å; L169-P197 HydrophobicContact CD2-CG 4.48Å; L169-Y213 VanDerWaalsContact CD1-C 3.43Å; L169-Y213 WeakPolarHBondContact CD1-O 3.49Å; L169-Y213 HydrophobicContact CD2-CD1 4.05Å; L169-Y213 HydrophobicContact CG-CD1 4.45Å; L169-I234 HydrophobicContact CD1-CD1 4.35Å
170I85.1Confident78.1Confident45 Ų4544.2 Ų44.223%0.23124%0.236CC..EExtended strand (participates in β ladder)trans-118.6144.5169.859.3172.9000109.7I195 I196 K198I170-I195 WeakPolarHBondContact O-CA 3.39Å; I170-I196 HydrophobicContact CD1-CD1 4Å; I170-I196 HydrophobicContact CD1-CG1 3.97Å; I170-I196 HydrophobicContact CG1-CD1 4.13Å; I170-I196 HydrophobicContact CG1-CG1 3.51Å; I170-I196 PolarHBondContact N-O 2.83Å; I170-I196 PolarHBondContact O-N 3.08Å; I170-K198 HydrophobicContact CG2-CB 3.78Å; I170-K198 HydrophobicContact CG2-CD 4.25Å; I170-K198 HydrophobicContact CG2-CG 3.69Å
171G85.7Confident78Confident1 Ų145.3 Ų45.31%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-98.2118.2171.300000110.5P159 N160 L163 C194P159-G171 CarbonylContact C-O 3.59Å; P159-G171 WeakPolarHBondContact CA-O 3.47Å; N160-G171 PolarHBondContact N-O 3.47Å; L163-G171 VanDerWaalsContact CD1-CA 3.45Å; G171-C194 CarbonylContact C-O 3.51Å; G171-C194 WeakPolarHBondContact CA-O 3.44Å
172I85.3Confident77.4Confident26 Ų2645.8 Ų45.813%0.13325%0.246CC..EExtended strand (participates in β ladder)trans-93.2115.7168.2-66.1172.1000107.7I157 I174 T193 C194 I196I157-I172 HydrophobicContact CB-CG2 4.32Å; I157-I172 HydrophobicContact CG1-CG2 4.11Å; I157-I172 HydrophobicContact CG2-CB 4.31Å; I157-I172 HydrophobicContact CG2-CG1 4.22Å; I157-I172 HydrophobicContact CG2-CG2 3.51Å; I172-I174 HydrophobicContact CG2-CD1 4.18Å; I172-I174 HydrophobicContact CG2-CG1 3.67Å; I172-T193 CarbonylContact O-C 3.54Å; I172-T193 WeakPolarHBondContact O-CA 3.47Å; I172-C194 HydrophobicContact CB-CB 4.43Å; I172-C194 PolarHBondContact N-O 3.41Å; I172-C194 PolarHBondContact O-N 3.37Å; I172-I196 HydrophobicContact CD1-CD1 3.43Å; I172-I196 VanDerWaalsContact CD1-CD1 3.43Å; I172-I196 HydrophobicContact CD1-CG1 4.13Å; I172-I196 HydrophobicContact CG1-CD1 4.31Å
173N86.3Confident77Confident12 Ų1244.6 Ų44.66%0.06424%0.24CC..EExtended strand (participates in β ladder)trans-85.8122.8169.8-61.5-68.6000109.2I157 I158 K191 M192 T193I157-N173 WeakPolarHBondContact CA-O 3.21Å; I158-N173 PolarHBondContact O-N 2.95Å; I158-N173 PolarHBondContact O-ND2 3.03Å; N173-K191 VanDerWaalsContact CG-CE 3.44Å; N173-K191 WeakPolarHBondContact OD1-CE 3.37Å; N173-M192 CarbonylContact C-O 3.57Å; N173-M192 WeakPolarHBondContact CA-O 3.29Å; N173-T193 PolarHBondContact OD1-OG1 3.17Å
174I85.5Confident76Confident2 Ų246.2 Ų46.21%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-118.1126.8174.6-49.6174.3000107.6I140 I143 L144 I172 I176 M192I140-I174 HydrophobicContact CG2-CD1 4.11Å; I143-I174 HydrophobicContact CG2-CD1 4.3Å; I143-I174 HydrophobicContact CG2-CG2 4.28Å; L144-I174 HydrophobicContact CD2-CD1 4.46Å; L144-I174 HydrophobicContact CD2-CG2 3.83Å; I172-I174 HydrophobicContact CG2-CD1 4.18Å; I172-I174 HydrophobicContact CG2-CG1 3.67Å; I174-I176 HydrophobicContact CG2-CG2 3.78Å; I174-M192 HydrophobicContact CB-CB 4.47Å; I174-M192 PolarHBondContact N-O 3.03Å; I174-M192 PolarHBondContact O-N 2.83Å
175M86Confident75.5Confident31 Ų3148.5 Ų48.515%0.15325%0.251CS..EExtended strand (participates in β ladder)trans-94.2123.6173.7-61.7-69.8-62.800110Y120 S147 I152 L189 I190 K191Y120-M175 HydrophobicContact CE2-CE 3.73Å; S147-M175 WeakPolarHBondContact CA-O 3.38Å; I152-M175 HydrophobicContact CD1-CB 3.29Å; I152-M175 HydrophobicContact CD1-CE 4.34Å; I152-M175 HydrophobicContact CD1-CG 4.12Å; I152-M175 HydrophobicContact CG2-CB 4.22Å; I152-M175 HydrophobicContact CG2-CG 4.05Å; M175-L189 HydrophobicContact CE-CD1 4.42Å; M175-L189 HydrophobicContact CE-CD2 3.5Å; M175-L189 VanDerWaalsContact CE-CD2 3.5Å; M175-L189 HydrophobicContact CE-CG 3.92Å; M175-I190 WeakPolarHBondContact CA-O 3.33Å; M175-K191 HydrophobicContact SD-CB 3.59Å; M175-K191 VanDerWaalsContact SD-CB 3.59Å; M175-K191 HydrophobicContact SD-CD 4.37Å; M175-K191 HydrophobicContact SD-CG 3.8Å
176I86.3Confident74.9Confident0 Ų044.1 Ų44.10%023%0.229CC..EExtended strand (participates in β ladder)trans-129.7148.5-176.963.1177.1000111.5I143 W146 I174 L189 I190I143-I176 HydrophobicContact CG2-CD1 4.14Å; I143-I176 HydrophobicContact CG2-CG2 3.61Å; I143-I176 WeakPolarHBondContact O-CG2 3.13Å; W146-I176 HydrophobicContact CB-CB 3.96Å; W146-I176 HydrophobicContact CB-CG2 4.2Å; W146-I176 HydrophobicContact CE3-CD1 3.91Å; W146-I176 HydrophobicContact CZ3-CD1 4.42Å; W146-I176 CarbonylContact O-C 3.56Å; W146-I176 WeakPolarHBondContact O-CA 3.18Å; I174-I176 HydrophobicContact CG2-CG2 3.78Å; I176-L189 WeakPolarHBondContact O-CA 3.33Å; I176-I190 HydrophobicContact CD1-CB 4.05Å; I176-I190 HydrophobicContact CD1-CD1 4.38Å; I176-I190 HydrophobicContact CD1-CG2 4.25Å; I176-I190 HydrophobicContact CG1-CB 3.67Å; I176-I190 HydrophobicContact CG1-CG2 4.26Å; I176-I190 PolarHBondContact N-O 2.82Å; I176-I190 PolarHBondContact O-N 3.07Å
177Q84.9Confident74.8Confident58 Ų5841.8 Ų41.827%0.27122%0.217SC..EExtended strand (participates in β ladder)trans-94.9117.4159.8-169.3168.3-0.300108.4W146 I148 N187 T188W146-Q177 WeakPolarHBondContact CB-O 3.5Å; W146-Q177 PolarHBondContact O-N 3.48Å; I148-Q177 HydrophobicContact CD1-CB 3.63Å; I148-Q177 HydrophobicContact CD1-CG 4.31Å; I148-Q177 HydrophobicContact CG1-CB 3.52Å; Q177-N187 PolarHBondContact NE2-OD1 3.17Å; Q177-T188 WeakPolarHBondContact CA-O 3.48Å
178L83.6Confident74.8Confident2 Ų241.5 Ų41.51%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-63.3131.5174.9-16171.3000108.8W146 N180 T188 I190 A346 I349 N350W146-L178 HydrophobicContact CE3-CD1 4.31Å; W146-L178 HydrophobicContact CH2-CD1 4.37Å; W146-L178 HydrophobicContact CZ3-CD1 3.99Å; L178-N180 PolarHBondContact O-N 2.98Å; L178-T188 PolarHBondContact N-O 3.41Å; L178-I190 HydrophobicContact CB-CD1 4.03Å; L178-I190 HydrophobicContact CD1-CD1 4.05Å; L178-I190 HydrophobicContact CD2-CD1 4.24Å; L178-I190 HydrophobicContact CG-CD1 4.36Å; L178-A346 HydrophobicContact CD1-CB 4.29Å; L178-I349 HydrophobicContact CD1-CB 4.02Å; L178-I349 HydrophobicContact CD1-CD1 4.13Å; L178-I349 HydrophobicContact CD1-CG2 3.93Å; L178-I349 HydrophobicContact CD2-CB 4.43Å; L178-I349 HydrophobicContact CD2-CG2 4.1Å; L178-N350 HydrophobicContact CD2-CB 4.12Å; L178-N350 WeakPolarHBondContact CD2-ND2 3.07Å; L178-N350 WeakPolarHBondContact CD2-OD1 3.29Å
179P76.7Confident74.9Confident48 Ų4840 Ų4031%0.31221%0.209SC..PPolyproline II helixtrans-59.7137.2176.424.6-33.9000109.5W146 L181 A346W146-P179 HydrophobicContact CD2-CG 4.43Å; W146-P179 HydrophobicContact CZ2-CG 4.06Å; P179-L181 PolarHBondContact O-N 2.63Å; P179-A346 HydrophobicContact CG-CB 3.68Å
180N67.9Low75.1Confident93 Ų9339.8 Ų39.850%0.49721%0.208SC..  trans-63.698.8175.6-73.3-9.9000108.9L178L178-N180 PolarHBondContact O-N 2.98Å
181L64.5Low75.3Confident42 Ų4240.5 Ų40.522%0.2221%0.209CC..  trans-72.7139.5164-66.4164000106.4P179 N183 Y184 A346 N347 N350P179-L181 PolarHBondContact O-N 2.63Å; L181-N183 PolarHBondContact O-N 2.74Å; L181-Y184 PolarHBondContact O-N 3.2Å; L181-A346 HydrophobicContact CD1-CB 3.62Å; L181-A346 WeakPolarHBondContact CD1-O 3.48Å; L181-A346 HydrophobicContact CD2-CB 4.48Å; L181-A346 HydrophobicContact CG-CB 4.28Å; L181-N347 VanDerWaalsContact CD1-CA 3.5Å; L181-N347 HydrophobicContact CD1-CB 4.14Å; L181-N347 VanDerWaalsContact CD1-N 3.31Å; L181-N347 WeakPolarHBondContact CD1-OD1 3.47Å; L181-N347 WeakPolarHBondContact CD2-OD1 3.43Å; L181-N350 HydrophobicContact CD1-CB 4.24Å; L181-N350 WeakPolarHBondContact CD1-ND2 3.37Å
182N52.2Low75.6Confident156 Ų15640.4 Ų40.483%0.83421%0.209SC*.THydrogen-bonded Turntrans-47.9-2.6-165.5-73-29.1000117.6
183N54.3Low75.9Confident70 Ų7039.5 Ų39.537%0.37420%0.204SC..THydrogen-bonded Turntrans-117.2-17.6-174.2-60.8-15.3000114.8L181L181-N183 PolarHBondContact O-N 2.74Å
184Y52.1Low76.1Confident48 Ų4839 Ų3919%0.18820%0.201CC..  trans-105.9123.5-178.4-61.6-72000111.2L181 N350 Y354L181-Y184 PolarHBondContact O-N 3.2Å; Y184-N350 HydrophobicContact CD2-CB 3.88Å; Y184-N350 WeakPolarHBondContact CD2-OD1 3.44Å; Y184-N350 HydrophobicContact CE2-CB 3.58Å; Y184-Y354 HydrophobicContact CD1-CD1 4.34Å; Y184-Y354 AromaticContact CD1-CD2 3.37Å; Y184-Y354 HydrophobicContact CD1-CD2 3.37Å; Y184-Y354 AromaticContact CD1-CE2 3.89Å; Y184-Y354 HydrophobicContact CD1-CE2 3.89Å; Y184-Y354 AromaticContact CD1-CG 3.63Å; Y184-Y354 HydrophobicContact CD1-CG 3.63Å; Y184-Y354 HydrophobicContact CD2-CD2 4.34Å; Y184-Y354 HydrophobicContact CE1-CD1 4.39Å; Y184-Y354 AromaticContact CE1-CD2 3.49Å; Y184-Y354 HydrophobicContact CE1-CD2 3.49Å; Y184-Y354 VanDerWaalsContact CE1-CD2 3.49Å; Y184-Y354 HydrophobicContact CE1-CE2 4.44Å; Y184-Y354 AromaticContact CE1-CG 3.46Å; Y184-Y354 HydrophobicContact CE1-CG 3.46Å; Y184-Y354 VanDerWaalsContact CE1-CG 3.46Å; Y184-Y354 HydrophobicContact CE2-CD2 4.41Å; Y184-Y354 AromaticContact CG-CD2 3.84Å; Y184-Y354 HydrophobicContact CG-CD2 3.84Å; Y184-Y354 HydrophobicContact CG-CE2 4.09Å; Y184-Y354 AromaticContact CZ-CD2 4Å
185I55Low76.3Confident71 Ų7139 Ų3936%0.36420%0.202SC..  trans-88.4-17.4-163.9-61.4159.9000111.9N111 I113N111-I185 WeakPolarHBondContact O-CD1 3.09Å; I113-I185 WeakPolarHBondContact O-CG2 3.48Å
186L57.8Low76.3Confident39 Ų3938.6 Ų38.620%0.20420%0.2CC..SBendtrans-101.5136.7-170.7-59.7173.5000110.9I117 D119 T188I117-L186 HydrophobicContact CB-CD2 3.65Å; I117-L186 HydrophobicContact CG2-CD2 4.08Å; I117-L186 WeakPolarHBondContact O-CD2 3.39Å; D119-L186 WeakPolarHBondContact OD2-CD1 3.33Å; L186-T188 PolarHBondContact O-N 3.11Å; L186-T188 PolarHBondContact O-OG1 3.06Å; L186-T188 VanDerWaalsContact O-OG1 3.1Å
187N71.8Confident76.2Confident55 Ų5538.9 Ų38.929%0.29420%0.202SC..EExtended strand (participates in β ladder)trans-61.4112.8165.9-76.1-13.7000107.1I118 D119 Q177I118-N187 VanDerWaalsContact CA-O 3.29Å; I118-N187 WeakPolarHBondContact CA-O 3.47Å; I118-N187 HydrophobicContact CG1-CB 4.11Å; I118-N187 WeakPolarHBondContact CG2-O 3.38Å; D119-N187 PolarHBondContact N-O 2.95Å; Q177-N187 PolarHBondContact NE2-OD1 3.17Å
188T81.5Confident75.9Confident2 Ų242.3 Ų42.31%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-101.2108.9-175.4-530000108.6Y121 Q177 L178 L186 I190 L353 Y354Y121-T188 HydrophobicContact CD2-CG2 3.61Å; Y121-T188 HydrophobicContact CE2-CG2 3.9Å; Q177-T188 WeakPolarHBondContact CA-O 3.48Å; L178-T188 PolarHBondContact N-O 3.41Å; L186-T188 PolarHBondContact O-N 3.11Å; L186-T188 PolarHBondContact O-OG1 3.06Å; L186-T188 VanDerWaalsContact O-OG1 3.1Å; T188-I190 HydrophobicContact CG2-CD1 4.32Å; T188-I190 HydrophobicContact CG2-CG1 4.02Å; T188-L353 HydrophobicContact CG2-CD1 3.8Å; T188-Y354 PolarHBondContact OG1-OH 2.94Å
189L86.3Confident75.5Confident34 Ų3447.5 Ų47.518%0.17824%0.244CC..EExtended strand (participates in β ladder)trans-88.6130.3171.8-166.575.9000108.9I118 D119 Y120 Y121 I148 I152 M175 I176I118-L189 HydrophobicContact CG2-CB 4.08Å; D119-L189 PolarHBondContact O-N 3.24Å; Y120-L189 WeakPolarHBondContact CA-O 3.3Å; Y120-L189 HydrophobicContact CD2-CB 4.11Å; Y120-L189 HydrophobicContact CD2-CD2 3.74Å; Y120-L189 HydrophobicContact CD2-CG 4.1Å; Y120-L189 HydrophobicContact CE2-CD2 3.97Å; Y120-L189 HydrophobicContact CE2-CG 4.39Å; Y121-L189 PolarHBondContact N-O 3.05Å; I148-L189 HydrophobicContact CD1-CD1 3.48Å; I148-L189 VanDerWaalsContact CD1-CD1 3.48Å; I148-L189 HydrophobicContact CG1-CD1 4.42Å; I152-L189 HydrophobicContact CD1-CD1 4.24Å; M175-L189 HydrophobicContact CE-CD1 4.42Å; M175-L189 HydrophobicContact CE-CD2 3.5Å; M175-L189 VanDerWaalsContact CE-CD2 3.5Å; M175-L189 HydrophobicContact CE-CG 3.92Å; I176-L189 WeakPolarHBondContact O-CA 3.33Å
190I88.6Confident75.1Confident0 Ų047.8 Ų47.80%026%0.255CS..EExtended strand (participates in β ladder)trans-123.5127.8179.5-57.7175000109Y121 C123 M175 I176 L178 T188 M192 I349 L353Y121-I190 CarbonylContact O-C 3.57Å; Y121-I190 VanDerWaalsContact O-CA 3.32Å; Y121-I190 WeakPolarHBondContact O-CA 3.45Å; C123-I190 HydrophobicContact CB-CG2 3.75Å; C123-I190 VanDerWaalsContact SG-CG2 3.5Å; M175-I190 WeakPolarHBondContact CA-O 3.33Å; I176-I190 HydrophobicContact CD1-CB 4.05Å; I176-I190 HydrophobicContact CD1-CD1 4.38Å; I176-I190 HydrophobicContact CD1-CG2 4.25Å; I176-I190 HydrophobicContact CG1-CB 3.67Å; I176-I190 HydrophobicContact CG1-CG2 4.26Å; I176-I190 PolarHBondContact N-O 2.82Å; I176-I190 PolarHBondContact O-N 3.07Å; L178-I190 HydrophobicContact CB-CD1 4.03Å; L178-I190 HydrophobicContact CD1-CD1 4.05Å; L178-I190 HydrophobicContact CD2-CD1 4.24Å; L178-I190 HydrophobicContact CG-CD1 4.36Å; T188-I190 HydrophobicContact CG2-CD1 4.32Å; T188-I190 HydrophobicContact CG2-CG1 4.02Å; I190-M192 HydrophobicContact CG2-CB 4.5Å; I190-M192 HydrophobicContact CG2-CE 4.45Å; I190-I349 HydrophobicContact CD1-CG2 3.42Å; I190-I349 VanDerWaalsContact CD1-CG2 3.42Å; I190-L353 HydrophobicContact CD1-CD1 3.74Å; I190-L353 HydrophobicContact CG1-CD1 4.25Å
191K89.9Confident75Confident60 Ų6048.8 Ų48.826%0.26126%0.256SS..EExtended strand (participates in β ladder)trans-87.6102.8160.1-179.1178.2177.6-1800108.5Y120 Y121 C123 N173 M175Y120-K191 HydrophobicContact CE2-CB 4.2Å; Y120-K191 WeakPolarHBondContact OH-CB 3.19Å; Y120-K191 WeakPolarHBondContact OH-CD 3.33Å; Y121-K191 PolarHBondContact O-N 3.39Å; C123-K191 PolarHBondContact N-O 2.94Å; N173-K191 VanDerWaalsContact CG-CE 3.44Å; N173-K191 WeakPolarHBondContact OD1-CE 3.37Å; M175-K191 HydrophobicContact SD-CB 3.59Å; M175-K191 VanDerWaalsContact SD-CB 3.59Å; M175-K191 HydrophobicContact SD-CD 4.37Å; M175-K191 HydrophobicContact SD-CG 3.8Å
192M91.3Very high75.2Confident0 Ų052.4 Ų52.40%028%0.276CS..EExtended strand (participates in β ladder)trans-89.5117.5176-173.661.876.500109.9C123 M125 N173 I174 I190 L245 I349C123-M192 HydrophobicContact CB-CE 3.58Å; C123-M192 HydrophobicContact CB-SD 3.51Å; C123-M192 VanDerWaalsContact CB-SD 3.51Å; C123-M192 CarbonylContact O-C 3.54Å; C123-M192 WeakPolarHBondContact O-CA 3.42Å; M125-M192 HydrophobicContact CB-SD 4.36Å; M125-M192 HydrophobicContact CG-CE 4.34Å; M125-M192 HydrophobicContact CG-CG 4.33Å; M125-M192 HydrophobicContact CG-SD 3.56Å; M125-M192 VanDerWaalsContact CG-SD 3.56Å; M125-M192 HydrophobicContact SD-CE 3.98Å; M125-M192 HydrophobicContact SD-CG 3.78Å; M125-M192 HydrophobicContact SD-SD 3.62Å; M125-M192 VanDerWaalsContact SD-SD 3.62Å; N173-M192 CarbonylContact C-O 3.57Å; N173-M192 WeakPolarHBondContact CA-O 3.29Å; I174-M192 HydrophobicContact CB-CB 4.47Å; I174-M192 PolarHBondContact N-O 3.03Å; I174-M192 PolarHBondContact O-N 2.83Å; I190-M192 HydrophobicContact CG2-CB 4.5Å; I190-M192 HydrophobicContact CG2-CE 4.45Å; M192-L245 HydrophobicContact CE-CD1 4.14Å; M192-L245 HydrophobicContact CE-CD2 4.26Å; M192-L245 HydrophobicContact SD-CD1 4.39Å; M192-I349 HydrophobicContact CE-CD1 4.06Å
193T91Very high75.9Confident7 Ų745.8 Ų45.84%0.04324%0.24CC..EExtended strand (participates in β ladder)trans-98.6106.1173.6-51.40000109.1C123 I124 M125 I172 N173C123-T193 PolarHBondContact O-N 2.79Å; I124-T193 CarbonylContact C-O 3.56Å; I124-T193 VanDerWaalsContact CA-O 3.31Å; I124-T193 WeakPolarHBondContact CA-O 3.23Å; I124-T193 WeakPolarHBondContact CG1-O 3.34Å; M125-T193 PolarHBondContact N-O 2.83Å; I172-T193 CarbonylContact O-C 3.54Å; I172-T193 WeakPolarHBondContact O-CA 3.47Å; N173-T193 PolarHBondContact OD1-OG1 3.17Å
194C90.7Very high76.4Confident0 Ų049.6 Ų49.60%026%0.255CS..EExtended strand (participates in β ladder)trans-91.1119.7175-58.60000109.4G171 I172G171-C194 CarbonylContact C-O 3.51Å; G171-C194 WeakPolarHBondContact CA-O 3.44Å; I172-C194 HydrophobicContact CB-CB 4.43Å; I172-C194 PolarHBondContact N-O 3.41Å; I172-C194 PolarHBondContact O-N 3.37Å
195I89.2Confident77Confident4 Ų455 Ų552%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-96.2117.3177-62.2171.3000108.4I124 M125 I126 I130 L163 L169 I170 I234 L237I124-I195 HydrophobicContact CD1-CD1 3.54Å; I124-I195 HydrophobicContact CD1-CG1 4.46Å; I124-I195 HydrophobicContact CG1-CD1 3.93Å; I124-I195 HydrophobicContact CG1-CG1 4.41Å; M125-I195 PolarHBondContact O-N 2.92Å; I126-I195 HydrophobicContact CG2-CB 3.75Å; I126-I195 HydrophobicContact CG2-CD1 3.29Å; I126-I195 HydrophobicContact CG2-CG1 3.88Å; I126-I195 HydrophobicContact CG2-CG2 4.48Å; I130-I195 WeakPolarHBondContact CG2-O 3.37Å; L163-I195 HydrophobicContact CD1-CD1 4.44Å; L163-I195 HydrophobicContact CD1-CG1 4.05Å; L169-I195 HydrophobicContact CB-CG2 3.82Å; L169-I195 HydrophobicContact CD1-CG2 3.57Å; L169-I195 HydrophobicContact CD2-CG2 4.47Å; L169-I195 HydrophobicContact CG-CG2 4.16Å; I170-I195 WeakPolarHBondContact O-CA 3.39Å; I195-I234 HydrophobicContact CD1-CD1 3.54Å; I195-I234 HydrophobicContact CG2-CD1 4.11Å; I195-L237 HydrophobicContact CD1-CD1 4.39Å
196I86.8Confident77.7Confident21 Ų2155.6 Ų55.611%0.10829%0.288CS..EExtended strand (participates in β ladder)trans-133.7162.4-175.365.6163.7000110.8I130 N136 L169 I170 I172I130-I196 HydrophobicContact CG2-CG2 3.51Å; N136-I196 WeakPolarHBondContact ND2-CG2 3.37Å; L169-I196 CarbonylContact C-O 3.53Å; L169-I196 VanDerWaalsContact CA-O 3.29Å; L169-I196 WeakPolarHBondContact CA-O 3.48Å; I170-I196 HydrophobicContact CD1-CD1 4Å; I170-I196 HydrophobicContact CD1-CG1 3.97Å; I170-I196 HydrophobicContact CG1-CD1 4.13Å; I170-I196 HydrophobicContact CG1-CG1 3.51Å; I170-I196 PolarHBondContact N-O 2.83Å; I170-I196 PolarHBondContact O-N 3.08Å; I172-I196 HydrophobicContact CD1-CD1 3.43Å; I172-I196 VanDerWaalsContact CD1-CD1 3.43Å; I172-I196 HydrophobicContact CD1-CG1 4.13Å; I172-I196 HydrophobicContact CG1-CD1 4.31Å
197P83.8Confident78.6Confident7 Ų756.6 Ų56.65%0.04529%0.293CS..EExtended strand (participates in β ladder)trans-63138.8170.5-22.233.8000112.7L169 N199 G200 E201L169-P197 HydrophobicContact CD2-CG 4.48Å; P197-N199 VanDerWaalsContact C-N 3.29Å; P197-N199 PolarHBondContact O-N 2.68Å; P197-G200 PolarHBondContact O-N 2.88Å; P197-E201 VanDerWaalsContact CB-O 3.3Å; P197-E201 WeakPolarHBondContact CB-O 3.35Å; P197-E201 WeakPolarHBondContact CG-O 3.43Å
198K79.8Confident79Confident130 Ų13054.3 Ų54.357%0.56528%0.281SS*.THydrogen-bonded Turntrans-57.1-35.8-175.6-173.9170.8-178.4177.60114.4E168 I170E168-K198 VanDerWaalsContact O-CB 3.31Å; E168-K198 WeakPolarHBondContact O-CB 3.48Å; E168-K198 PolarHBondContact O-N 2.83Å; I170-K198 HydrophobicContact CG2-CB 3.78Å; I170-K198 HydrophobicContact CG2-CD 4.25Å; I170-K198 HydrophobicContact CG2-CG 3.69Å
199N73.3Confident78.9Confident111 Ų11155.8 Ų55.859%0.59429%0.288SS*.THydrogen-bonded Turntrans-105.44.7-176.6-62.7-20.4000112.9P197 E201P197-N199 VanDerWaalsContact C-N 3.29Å; P197-N199 PolarHBondContact O-N 2.68Å; N199-E201 HydrophobicContact CB-CB 4.22Å; N199-E201 HydrophobicContact CB-CG 3.69Å; N199-E201 WeakPolarHBondContact CB-OE2 3.37Å; N199-E201 PolarHBondContact ND2-OE2 3.38Å; N199-E201 PolarHBondContact O-N 3.25Å; N199-E201 VanDerWaalsContact O-N 3.1Å
200G69.3Low78.5Confident53 Ų5357.2 Ų57.255%0.54630%0.301SS..SBendtrans62.19.2-165.200000113.6P197P197-G200 PolarHBondContact O-N 2.88Å
201E66.8Low77.8Confident114 Ų11458.1 Ų58.153%0.53331%0.31SS..PPolyproline II helixtrans-64.9131.7174.4-75.6168.7164.200108.7P197 N199P197-E201 VanDerWaalsContact CB-O 3.3Å; P197-E201 WeakPolarHBondContact CB-O 3.35Å; P197-E201 WeakPolarHBondContact CG-O 3.43Å; N199-E201 HydrophobicContact CB-CB 4.22Å; N199-E201 HydrophobicContact CB-CG 3.69Å; N199-E201 WeakPolarHBondContact CB-OE2 3.37Å; N199-E201 PolarHBondContact ND2-OE2 3.38Å; N199-E201 PolarHBondContact O-N 3.25Å; N199-E201 VanDerWaalsContact O-N 3.1Å
202L66.9Low77.2Confident119 Ų11959.9 Ų59.962%0.62332%0.318SS*.PPolyproline II helixtrans-62.2139169.3-68.3168.3000107.9E204L202-E204 PolarHBondContact O-N 2.86Å; L202-E204 VanDerWaalsContact O-N 3.16Å
203L68.4Low76.7Confident17 Ų1760.6 Ų60.69%0.08932%0.32CS..PPolyproline II helixtrans-47.4121.7172.7-60.7170.5000110.4D131 D205 K206 R208 Y213D131-L203 HydrophobicContact CB-CD1 4.14Å; D131-L203 HydrophobicContact CB-CG 4.36Å; D131-L203 WeakPolarHBondContact OD2-CD1 3.45Å; L203-D205 PolarHBondContact O-N 3.33Å; L203-K206 PolarHBondContact O-N 2.79Å; L203-R208 HydrophobicContact CD1-CG 3.37Å; L203-R208 HydrophobicContact CD2-CG 4.12Å; L203-R208 HydrophobicContact CG-CG 4.39Å; L203-Y213 HydrophobicContact CB-CE2 4.46Å; L203-Y213 HydrophobicContact CD2-CD1 3.16Å; L203-Y213 HydrophobicContact CD2-CD2 3.47Å; L203-Y213 VanDerWaalsContact CD2-CD2 3.47Å; L203-Y213 HydrophobicContact CD2-CE1 3.32Å; L203-Y213 HydrophobicContact CD2-CE2 3.57Å; L203-Y213 HydrophobicContact CD2-CG 3.24Å
204E64Low76.5Confident149 Ų14960.5 Ų60.570%0.69632%0.32SS*.G310 helixtrans-56.8129.1169.4-67.8-175.6162.100108.6L202 K206L202-E204 PolarHBondContact O-N 2.86Å; L202-E204 VanDerWaalsContact O-N 3.16Å; E204-K206 PolarHBondContact O-N 3.23Å
205D65.4Low76.4Confident161 Ų16160.5 Ų60.586%0.86132%0.32SS*.G310 helixtrans57.58.1-174.7-54.6-33.4000116.6L203 N207L203-D205 PolarHBondContact O-N 3.33Å; D205-N207 PolarHBondContact O-N 3.27Å
206K70.2Confident76.3Confident84 Ų8463.1 Ų63.137%0.36533%0.33SS..G310 helixtrans58.713-175.6-53.3179.8-177.5-1790114.3L203 E204 E257 Q262L203-K206 PolarHBondContact O-N 2.79Å; E204-K206 PolarHBondContact O-N 3.23Å; K206-E257 IonicContact NZ-OE2 3.03Å; K206-E257 PolarHBondContact NZ-OE2 3.32Å; K206-Q262 PolarHBondContact O-OE1 3.09Å
207N76.7Confident76.1Confident60 Ų6065.2 Ų65.232%0.32134%0.341SS..  trans-90.9126-178.5-1734.4000110.7D205 I209 Y213 Q262D205-N207 PolarHBondContact O-N 3.27Å; N207-I209 WeakPolarHBondContact OD1-CA 3.38Å; N207-I209 WeakPolarHBondContact OD1-CB 3.26Å; N207-I209 PolarHBondContact OD1-N 3.12Å; N207-Y213 WeakPolarHBondContact O-CD2 3.22Å; N207-Q262 PolarHBondContact OD1-OE1 3.16Å
208R79.7Confident75.7Confident8 Ų868.4 Ų68.43%0.0336%0.356CS..  trans-103.21.3176.1-54.4171.2-101.8156.817.6113.1G127 P128 D131 L203 S210 L214 L215 Y246 Q262 E266G127-R208 VanDerWaalsContact C-NH1 3.32Å; P128-R208 VanDerWaalsContact CD-NH1 3.3Å; P128-R208 VanDerWaalsContact CD-NH2 3.29Å; P128-R208 VanDerWaalsContact N-NH1 3.12Å; D131-R208 WeakPolarHBondContact OD2-CD 3.28Å; D131-R208 IonicContact OD2-CZ 2.66Å; D131-R208 IonicContact OD2-NE 3.11Å; D131-R208 IonicContact OD2-NH1 3.45Å; L203-R208 HydrophobicContact CD1-CG 3.37Å; L203-R208 HydrophobicContact CD2-CG 4.12Å; L203-R208 HydrophobicContact CG-CG 4.39Å; R208-S210 PolarHBondContact O-N 3.42Å; R208-L214 HydrophobicContact CB-CB 4.01Å; R208-L215 WeakPolarHBondContact O-CA 3.09Å; R208-L215 WeakPolarHBondContact O-CB 3.47Å; R208-L215 PolarHBondContact O-N 3.42Å; R208-Y246 PolarHBondContact NH2-OH 3.21Å; R208-Q262 VanDerWaalsContact CG-NE2 3.27Å; R208-Q262 VanDerWaalsContact NE-NE2 3.16Å; R208-E266 VanDerWaalsContact CZ-CD 3.42Å; R208-E266 IonicContact CZ-OE1 2.9Å; R208-E266 IonicContact CZ-OE2 2.83Å; R208-E266 IonicContact NE-OE1 3.7Å; R208-E266 PolarHBondContact NE-OE1 3.26Å; R208-E266 IonicContact NE-OE2 3.19Å; R208-E266 IonicContact NH1-OE1 3.62Å; R208-E266 PolarHBondContact NH1-OE1 3.12Å; R208-E266 IonicContact NH1-OE2 3.02Å; R208-E266 PolarHBondContact NH1-OE2 2.82Å; R208-E266 IonicContact NH2-OE1 2.94Å; R208-E266 PolarHBondContact NH2-OE1 3.08Å; R208-E266 VanDerWaalsContact NH2-OE1 3.11Å; R208-E266 IonicContact NH2-OE2 3.87Å; R208-E266 PolarHBondContact NH2-OE2 3.27Å
209I78.6Confident75.2Confident33 Ų3370.5 Ų70.517%0.16937%0.365CS..BIsolated β-bridgetrans-9572.4173.5-51.7166.8000108.3N207 L215 N217 I228 Q262 K265N207-I209 WeakPolarHBondContact OD1-CA 3.38Å; N207-I209 WeakPolarHBondContact OD1-CB 3.26Å; N207-I209 PolarHBondContact OD1-N 3.12Å; I209-L215 HydrophobicContact CB-CB 4.46Å; I209-L215 HydrophobicContact CD1-CD1 4.33Å; I209-L215 HydrophobicContact CG1-CB 4.01Å; I209-L215 HydrophobicContact CG1-CD1 3.63Å; I209-L215 HydrophobicContact CG1-CG 4.44Å; I209-N217 WeakPolarHBondContact CG2-OD1 3.35Å; I209-I228 HydrophobicContact CD1-CD1 4.19Å; I209-Q262 HydrophobicContact CD1-CB 4.42Å; I209-Q262 HydrophobicContact CD1-CG 3.9Å; I209-Q262 HydrophobicContact CG1-CG 4.02Å; I209-K265 HydrophobicContact CD1-CD 4.13Å
210S77.9Confident74.5Confident64 Ų6468.1 Ų68.145%0.44835%0.352SS..SBendtrans-137.4-8.9178.8630000112.9R208 K212 L215R208-S210 PolarHBondContact O-N 3.42Å; S210-K212 PolarHBondContact O-N 3.12Å; S210-K212 PolarHBondContact OG-N 3.29Å; S210-L215 PolarHBondContact N-O 3.49Å
211G73.7Confident74.1Confident19 Ų1973.4 Ų73.420%0.19637%0.367CS..SBendtrans79.5-3.8-167.700000114.7L215 L231G211-L215 WeakPolarHBondContact CA-O 3.45Å; G211-L215 PolarHBondContact N-O 3.2Å; G211-L231 WeakPolarHBondContact O-CD2 3.38Å
212K76.9Confident73.7Confident97 Ų9775 Ų7542%0.42238%0.38SS..SBendtrans-99-25.2178.8-63.3-179164.2-158.80114.3S167 E168 S210S167-K212 CarbonylContact C-O 3.42Å; S167-K212 WeakPolarHBondContact CA-O 2.87Å; S167-K212 VanDerWaalsContact CB-O 3.3Å; S167-K212 WeakPolarHBondContact CB-O 3.32Å; E168-K212 HydrophobicContact CG-CB 4.45Å; E168-K212 PolarHBondContact N-O 2.91Å; E168-K212 WeakPolarHBondContact OE1-CD 3.32Å; E168-K212 IonicContact OE1-NZ 3.13Å; E168-K212 PolarHBondContact OE1-NZ 3.5Å; E168-K212 VanDerWaalsContact OE1-NZ 3.13Å; S210-K212 PolarHBondContact O-N 3.12Å; S210-K212 PolarHBondContact OG-N 3.29Å
213Y81.6Confident73Confident14 Ų1475.2 Ų75.26%0.05538%0.381CS..SBendtrans-109.5-95.8-172.9-61.6-65000111.5E168 L169 L203 N207 L231E168-Y213 HydrophobicContact CB-CD1 4.19Å; E168-Y213 HydrophobicContact CB-CE1 3.79Å; E168-Y213 VanDerWaalsContact OE2-CE1 3.31Å; E168-Y213 WeakPolarHBondContact OE2-CE1 3.37Å; E168-Y213 VanDerWaalsContact OE2-CZ 3.29Å; E168-Y213 PolarHBondContact OE2-OH 2.9Å; L169-Y213 VanDerWaalsContact CD1-C 3.43Å; L169-Y213 WeakPolarHBondContact CD1-O 3.49Å; L169-Y213 HydrophobicContact CD2-CD1 4.05Å; L169-Y213 HydrophobicContact CG-CD1 4.45Å; L203-Y213 HydrophobicContact CB-CE2 4.46Å; L203-Y213 HydrophobicContact CD2-CD1 3.16Å; L203-Y213 HydrophobicContact CD2-CD2 3.47Å; L203-Y213 VanDerWaalsContact CD2-CD2 3.47Å; L203-Y213 HydrophobicContact CD2-CE1 3.32Å; L203-Y213 HydrophobicContact CD2-CE2 3.57Å; L203-Y213 HydrophobicContact CD2-CG 3.24Å; N207-Y213 WeakPolarHBondContact O-CD2 3.22Å; Y213-L231 WeakPolarHBondContact O-CD1 3.19Å
214L87.1Confident72.3Confident5 Ų583 Ų833%0.02642%0.423CS..SBendtrans-107.3-37.6-173.8-167.569.3000112.2R208 F230 L231 I234 E266R208-L214 HydrophobicContact CB-CB 4.01Å; L214-F230 HydrophobicContact CD1-CD1 4.48Å; L214-F230 HydrophobicContact CD2-CE1 4.2Å; L214-F230 HydrophobicContact CG-CD1 4.11Å; L214-F230 HydrophobicContact CG-CE1 4.13Å; L214-L231 PolarHBondContact O-N 2.85Å; L214-L231 VanDerWaalsContact O-N 3.12Å; L214-I234 HydrophobicContact CD1-CD1 4.09Å; L214-I234 HydrophobicContact CD1-CG1 4.14Å; L214-I234 HydrophobicContact CD1-CG2 3.7Å; L214-E266 HydrophobicContact CD2-CB 4.41Å; L214-E266 VanDerWaalsContact CD2-CD 3.46Å; L214-E266 HydrophobicContact CD2-CG 3.85Å; L214-E266 WeakPolarHBondContact CD2-OE2 3.43Å
215L88.8Confident71.9Confident0 Ų079.2 Ų79.20%041%0.407CS..EExtended strand (participates in β ladder)trans-120.4149.9-170.8-58.1180000110.9R208 I209 S210 G211 I228 N229 F230 E266 L269R208-L215 WeakPolarHBondContact O-CA 3.09Å; R208-L215 WeakPolarHBondContact O-CB 3.47Å; R208-L215 PolarHBondContact O-N 3.42Å; I209-L215 HydrophobicContact CB-CB 4.46Å; I209-L215 HydrophobicContact CD1-CD1 4.33Å; I209-L215 HydrophobicContact CG1-CB 4.01Å; I209-L215 HydrophobicContact CG1-CD1 3.63Å; I209-L215 HydrophobicContact CG1-CG 4.44Å; S210-L215 PolarHBondContact N-O 3.49Å; G211-L215 WeakPolarHBondContact CA-O 3.45Å; G211-L215 PolarHBondContact N-O 3.2Å; L215-I228 HydrophobicContact CB-CG2 4.02Å; L215-I228 HydrophobicContact CD1-CG2 3.82Å; L215-I228 HydrophobicContact CD2-CG2 4.33Å; L215-I228 HydrophobicContact CG-CG2 4.29Å; L215-N229 WeakPolarHBondContact CA-O 3.06Å; L215-F230 HydrophobicContact CD2-CD1 3.61Å; L215-F230 HydrophobicContact CD2-CE1 3.72Å; L215-F230 HydrophobicContact CD2-CG 4.44Å; L215-E266 HydrophobicContact CD1-CG 3.44Å; L215-E266 VanDerWaalsContact CD1-CG 3.44Å; L215-E266 HydrophobicContact CD2-CG 4.3Å; L215-E266 HydrophobicContact CG-CG 3.99Å; L215-L269 HydrophobicContact CD2-CD1 3.6Å
216Y85.8Confident71.8Confident60 Ų6075.5 Ų75.524%0.23539%0.387CS..EExtended strand (participates in β ladder)trans-133.1150.6169.776.3-85.3000110.4E218 N229 F230 L231Y216-E218 HydrophobicContact CD2-CB 4.43Å; Y216-E218 HydrophobicContact CE2-CB 3.83Å; Y216-E218 HydrophobicContact CE2-CG 4.24Å; Y216-N229 HydrophobicContact CD1-CB 4.19Å; Y216-N229 WeakPolarHBondContact CD1-O 3.47Å; Y216-N229 HydrophobicContact CE1-CB 3.6Å; Y216-N229 HydrophobicContact CE2-CB 4.4Å; Y216-N229 PolarHBondContact N-O 3.01Å; Y216-N229 PolarHBondContact O-N 3.36Å; Y216-F230 WeakPolarHBondContact CE1-O 3.36Å; Y216-L231 HydrophobicContact CD1-CD2 3.85Å; Y216-L231 HydrophobicContact CG-CD2 4.31Å
217N83.2Confident72.1Confident65 Ų6574.6 Ų74.635%0.34838%0.384SS..EExtended strand (participates in β ladder)trans-88.1118.5168.8-75.36.9000108.4I209 K219 D226I209-N217 WeakPolarHBondContact CG2-OD1 3.35Å; N217-K219 PolarHBondContact O-N 2.97Å; N217-D226 HydrophobicContact CB-CB 4.34Å; N217-D226 PolarHBondContact ND2-OD2 3.47Å
218E75.6Confident72.5Confident74 Ų7473 Ų7335%0.34638%0.375SS..EExtended strand (participates in β ladder)trans-80.3113.2166.2-162168.3-171.700108Y216 N220 Q227 N229Y216-E218 HydrophobicContact CD2-CB 4.43Å; Y216-E218 HydrophobicContact CE2-CB 3.83Å; Y216-E218 HydrophobicContact CE2-CG 4.24Å; E218-N220 PolarHBondContact O-N 2.95Å; E218-Q227 HydrophobicContact CB-CB 4.42Å; E218-Q227 PolarHBondContact N-O 3.13Å; E218-Q227 PolarHBondContact O-N 2.98Å; E218-N229 PolarHBondContact OE2-ND2 3.39Å
219K69.9Low72.9Confident174 Ų17474.9 Ų74.976%0.75739%0.386SS*.  trans-74.3105.6172.3-70.7-174.7177.8-177.60108N217N217-K219 PolarHBondContact O-N 2.97Å
220N58.8Low73.4Confident61 Ų6173.9 Ų73.933%0.32638%0.381SS..  trans-88.9113.8169.4-77.1-26.5000108.9E218 N222 N223 Q227E218-N220 PolarHBondContact O-N 2.95Å; N220-N222 PolarHBondContact O-N 3.25Å; N220-N223 PolarHBondContact O-N 2.94Å; N220-Q227 VanDerWaalsContact ND2-CD 3.27Å; N220-Q227 PolarHBondContact ND2-OE1 2.89Å
221D59.7Low73.9Confident163 Ų16371 Ų7187%0.87236%0.36SS*.THydrogen-bonded Turntrans-57-17.6-178.8-71.4-28.4000114.1
222N58.3Low74.6Confident149 Ų14973 Ų7380%0.79737%0.37SS*.THydrogen-bonded Turntrans-108.8-5.4-169.9-74.4-19.3000116.1N220N220-N222 PolarHBondContact O-N 3.25Å
223N53.4Low75.1Confident122 Ų12269.1 Ų69.165%0.65235%0.353SS*.SBendtrans-148.4129.1174.6-82.3-32.3000109.3N220 I225N220-N223 PolarHBondContact O-N 2.94Å; N223-I225 PolarHBondContact O-N 3.38Å
224N53Low75.5Confident181 Ų18168.5 Ų68.597%0.96835%0.351SS*.SBendtrans-63.927.6179-80.3-14.1000115
225I54.9Low75.6Confident69 Ų6970.6 Ų70.635%0.35436%0.362SS..  trans-116.1100.7178-55.7164.7000107N223 Q227 L317N223-I225 PolarHBondContact O-N 3.38Å; I225-Q227 PolarHBondContact O-N 2.84Å; I225-Q227 VanDerWaalsContact O-N 3.1Å; I225-L317 HydrophobicContact CG2-CD2 4.15Å
226D63.3Low75.6Confident83 Ų8374.8 Ų74.844%0.44438%0.384SS..  trans-54.6114.6170.1-79.5-9.8000109N217N217-D226 HydrophobicContact CB-CB 4.34Å; N217-D226 PolarHBondContact ND2-OD2 3.47Å
227Q77Confident75.8Confident65 Ų6572.6 Ų72.630%0.30438%0.376SS..EExtended strand (participates in β ladder)trans-82.7119.7174.4-79.2-176.7-2.600109E218 N220 I225E218-Q227 HydrophobicContact CB-CB 4.42Å; E218-Q227 PolarHBondContact N-O 3.13Å; E218-Q227 PolarHBondContact O-N 2.98Å; N220-Q227 VanDerWaalsContact ND2-CD 3.27Å; N220-Q227 PolarHBondContact ND2-OE1 2.89Å; I225-Q227 PolarHBondContact O-N 2.84Å; I225-Q227 VanDerWaalsContact O-N 3.1Å
228I84.5Confident76.2Confident26 Ų2669.5 Ų69.513%0.13336%0.359CS..EExtended strand (participates in β ladder)trans-88.9119.7178.3-54.8178.4000108.1I209 L215 K265 L269I209-I228 HydrophobicContact CD1-CD1 4.19Å; L215-I228 HydrophobicContact CB-CG2 4.02Å; L215-I228 HydrophobicContact CD1-CG2 3.82Å; L215-I228 HydrophobicContact CD2-CG2 4.33Å; L215-I228 HydrophobicContact CG-CG2 4.29Å; I228-K265 HydrophobicContact CD1-CD 3.64Å; I228-K265 HydrophobicContact CD1-CG 4.45Å; I228-L269 HydrophobicContact CG2-CD1 4Å; I228-L269 WeakPolarHBondContact O-CD2 3.49Å
229N88.1Confident76.9Confident48 Ų4872 Ų7226%0.25737%0.369SS..EExtended strand (participates in β ladder)trans-125.1155.4-179.4-77.2-39.3000111.2L215 Y216 E218L215-N229 WeakPolarHBondContact CA-O 3.06Å; Y216-N229 HydrophobicContact CD1-CB 4.19Å; Y216-N229 WeakPolarHBondContact CD1-O 3.47Å; Y216-N229 HydrophobicContact CE1-CB 3.6Å; Y216-N229 HydrophobicContact CE2-CB 4.4Å; Y216-N229 PolarHBondContact N-O 3.01Å; Y216-N229 PolarHBondContact O-N 3.36Å; E218-N229 PolarHBondContact OE2-ND2 3.39Å
230F89.4Confident77.8Confident12 Ų1268.3 Ų68.35%0.05335%0.354CS..EExtended strand (participates in β ladder)trans-67.1142.8165.2-73-57.9000110.3L214 L215 Y216 I234 N235 L238 L269 I270L214-F230 HydrophobicContact CD1-CD1 4.48Å; L214-F230 HydrophobicContact CD2-CE1 4.2Å; L214-F230 HydrophobicContact CG-CD1 4.11Å; L214-F230 HydrophobicContact CG-CE1 4.13Å; L215-F230 HydrophobicContact CD2-CD1 3.61Å; L215-F230 HydrophobicContact CD2-CE1 3.72Å; L215-F230 HydrophobicContact CD2-CG 4.44Å; Y216-F230 WeakPolarHBondContact CE1-O 3.36Å; F230-I234 HydrophobicContact CB-CB 4.39Å; F230-I234 HydrophobicContact CB-CG2 4.32Å; F230-I234 HydrophobicContact CD1-CG2 3.95Å; F230-I234 HydrophobicContact CG-CG2 4.24Å; F230-N235 HydrophobicContact CB-CB 4.1Å; F230-L238 HydrophobicContact CD1-CD1 4.36Å; F230-L238 HydrophobicContact CD2-CD1 3.68Å; F230-L238 HydrophobicContact CE1-CD1 4.29Å; F230-L238 HydrophobicContact CE2-CD1 3.55Å; F230-L238 HydrophobicContact CG-CD1 4.11Å; F230-L238 HydrophobicContact CZ-CD1 3.92Å; F230-L269 HydrophobicContact CD2-CB 4.19Å; F230-L269 HydrophobicContact CE1-CB 4.35Å; F230-L269 VanDerWaalsContact CE2-C 3.47Å; F230-L269 HydrophobicContact CE2-CB 3.42Å; F230-L269 VanDerWaalsContact CE2-CB 3.42Å; F230-L269 HydrophobicContact CZ-CB 3.46Å; F230-L269 VanDerWaalsContact CZ-CB 3.46Å; F230-I270 HydrophobicContact CE1-CG1 4.42Å; F230-I270 HydrophobicContact CE2-CG1 4.19Å; F230-I270 HydrophobicContact CZ-CB 4.44Å; F230-I270 HydrophobicContact CZ-CG1 3.55Å
231L89.2Confident79.4Confident4 Ų465.7 Ų65.72%0.02134%0.341CS..  trans-49.2141.4166.1-69.8179.4000111I166 G211 Y213 L214 Y216 E233 I234 N235I166-L231 HydrophobicContact CG2-CD2 4.4Å; G211-L231 WeakPolarHBondContact O-CD2 3.38Å; Y213-L231 WeakPolarHBondContact O-CD1 3.19Å; L214-L231 PolarHBondContact O-N 2.85Å; L214-L231 VanDerWaalsContact O-N 3.12Å; Y216-L231 HydrophobicContact CD1-CD2 3.85Å; Y216-L231 HydrophobicContact CG-CD2 4.31Å; L231-E233 VanDerWaalsContact C-N 3.27Å; L231-E233 HydrophobicContact CB-CG 4.15Å; L231-E233 PolarHBondContact O-N 3.49Å; L231-I234 HydrophobicContact CB-CB 4.45Å; L231-I234 HydrophobicContact CB-CG1 4Å; L231-I234 WeakPolarHBondContact O-CB 3.3Å; L231-I234 PolarHBondContact O-N 3.13Å; L231-N235 PolarHBondContact O-N 3.47Å
232P87.9Confident80.9Confident62 Ų6261.1 Ų61.140%0.40331%0.314SS..Hα-helixtrans-53.3-42.6-174.5-28.435.4000113.7N235 I236P232-N235 PolarHBondContact O-N 3.17Å; P232-I236 VanDerWaalsContact O-CG1 3.32Å; P232-I236 WeakPolarHBondContact O-CG1 3.39Å; P232-I236 PolarHBondContact O-N 3.41Å
233E87Confident82.7Confident15 Ų1554 Ų547%0.0728%0.276CS..Hα-helixtrans-59.5-43.3175.656.5-138.6-128.100113.3N162 L163 S167 L231 I236 L237N162-E233 WeakPolarHBondContact O-CB 3.43Å; L163-E233 HydrophobicContact CD2-CB 4.41Å; L163-E233 HydrophobicContact CD2-CG 4.02Å; S167-E233 VanDerWaalsContact CB-OE1 3.32Å; S167-E233 WeakPolarHBondContact CB-OE1 3.43Å; S167-E233 PolarHBondContact N-OE1 3.1Å; S167-E233 PolarHBondContact OG-OE1 3.5Å; L231-E233 VanDerWaalsContact C-N 3.27Å; L231-E233 HydrophobicContact CB-CG 4.15Å; L231-E233 PolarHBondContact O-N 3.49Å; E233-I236 PolarHBondContact O-N 3.5Å; E233-L237 WeakPolarHBondContact O-CG 3.3Å; E233-L237 PolarHBondContact O-N 3.14Å
234I90Very high84.7Confident0 Ų048.2 Ų48.20%025%0.245CC..Hα-helixtrans-66.5-43.6177-58.2-69.9000110.2L163 L169 I195 L214 F230 L231 I236 L237 L238L163-I234 HydrophobicContact CD2-CD1 3.65Å; L169-I234 HydrophobicContact CD1-CD1 4.35Å; I195-I234 HydrophobicContact CD1-CD1 3.54Å; I195-I234 HydrophobicContact CG2-CD1 4.11Å; L214-I234 HydrophobicContact CD1-CD1 4.09Å; L214-I234 HydrophobicContact CD1-CG1 4.14Å; L214-I234 HydrophobicContact CD1-CG2 3.7Å; F230-I234 HydrophobicContact CB-CB 4.39Å; F230-I234 HydrophobicContact CB-CG2 4.32Å; F230-I234 HydrophobicContact CD1-CG2 3.95Å; F230-I234 HydrophobicContact CG-CG2 4.24Å; L231-I234 HydrophobicContact CB-CB 4.45Å; L231-I234 HydrophobicContact CB-CG1 4Å; L231-I234 WeakPolarHBondContact O-CB 3.3Å; L231-I234 PolarHBondContact O-N 3.13Å; I234-I236 VanDerWaalsContact C-N 3.31Å; I234-I236 PolarHBondContact O-N 3.16Å; I234-L237 PolarHBondContact O-N 2.82Å; I234-L238 HydrophobicContact CG2-CD1 4.03Å; I234-L238 HydrophobicContact CG2-CG 4.34Å; I234-L238 WeakPolarHBondContact O-CG 3.27Å; I234-L238 PolarHBondContact O-N 2.62Å
235N90.1Very high86.8Confident49 Ų4939.6 Ų39.626%0.26220%0.199SC..Hα-helixtrans-61.6-39.2179.8-169.222000112.1F230 L231 P232 K239F230-N235 HydrophobicContact CB-CB 4.1Å; L231-N235 PolarHBondContact O-N 3.47Å; P232-N235 PolarHBondContact O-N 3.17Å; N235-K239 WeakPolarHBondContact O-CG 3.34Å; N235-K239 PolarHBondContact O-N 3Å
236I89.3Confident88.8Confident89 Ų8936.3 Ų36.346%0.45618%0.182SC..Hα-helixtrans-62.1-47175-69.6162.1000110.3P232 E233 I234 L238 K239 E240P232-I236 VanDerWaalsContact O-CG1 3.32Å; P232-I236 WeakPolarHBondContact O-CG1 3.39Å; P232-I236 PolarHBondContact O-N 3.41Å; E233-I236 PolarHBondContact O-N 3.5Å; I234-I236 VanDerWaalsContact C-N 3.31Å; I234-I236 PolarHBondContact O-N 3.16Å; I236-L238 PolarHBondContact O-N 3.17Å; I236-K239 PolarHBondContact O-N 3.42Å; I236-E240 PolarHBondContact O-N 2.89Å
237L89.3Confident90.3Very high13 Ų1332.3 Ų32.37%0.06816%0.161CC..Hα-helixtrans-64.9-41.9-178.8-66.2171.4000112.8I124 N160 L163 I195 E233 I234 K239 E240 C241I124-L237 HydrophobicContact CD1-CB 3.71Å; N160-L237 VanDerWaalsContact ND2-CD2 3.28Å; N160-L237 WeakPolarHBondContact ND2-CD2 3.47Å; L163-L237 HydrophobicContact CD1-CD1 3.27Å; L163-L237 HydrophobicContact CD2-CD1 4.1Å; L163-L237 HydrophobicContact CG-CD1 3.67Å; I195-L237 HydrophobicContact CD1-CD1 4.39Å; E233-L237 WeakPolarHBondContact O-CG 3.3Å; E233-L237 PolarHBondContact O-N 3.14Å; I234-L237 PolarHBondContact O-N 2.82Å; L237-K239 PolarHBondContact O-N 3.27Å; L237-E240 PolarHBondContact O-N 3.31Å; L237-E240 VanDerWaalsContact O-N 3.15Å; L237-C241 PolarHBondContact O-N 3.13Å; L237-C241 PolarHBondContact O-SG 3.47Å
238L91.6Very high91.1Very high1 Ų129.2 Ų29.21%0.00515%0.146CC..Hα-helixtrans-58.1-38.1175.5-72.4172.9000111.8I124 I126 F230 I234 I236 I244 Q278I124-L238 HydrophobicContact CD1-CD2 4.34Å; I124-L238 HydrophobicContact CG2-CD2 4.11Å; I126-L238 HydrophobicContact CD1-CD2 3.99Å; F230-L238 HydrophobicContact CD1-CD1 4.36Å; F230-L238 HydrophobicContact CD2-CD1 3.68Å; F230-L238 HydrophobicContact CE1-CD1 4.29Å; F230-L238 HydrophobicContact CE2-CD1 3.55Å; F230-L238 HydrophobicContact CG-CD1 4.11Å; F230-L238 HydrophobicContact CZ-CD1 3.92Å; I234-L238 HydrophobicContact CG2-CD1 4.03Å; I234-L238 HydrophobicContact CG2-CG 4.34Å; I234-L238 WeakPolarHBondContact O-CG 3.27Å; I234-L238 PolarHBondContact O-N 2.62Å; I236-L238 PolarHBondContact O-N 3.17Å; L238-I244 HydrophobicContact CD2-CB 4.48Å; L238-I244 HydrophobicContact CD2-CG1 3.67Å; L238-I244 HydrophobicContact CD2-CG2 3.89Å; L238-Q278 PolarHBondContact O-NE2 2.91Å
239K89.8Confident91.4Very high127 Ų12728.2 Ų28.255%0.55214%0.141SC*.Hα-helixtrans-70.6-28.3177.8-72174.8-177.5178.20113.9N235 I236 L237 Q278N235-K239 WeakPolarHBondContact O-CG 3.34Å; N235-K239 PolarHBondContact O-N 3Å; I236-K239 PolarHBondContact O-N 3.42Å; L237-K239 PolarHBondContact O-N 3.27Å; K239-Q278 PolarHBondContact O-NE2 3.19Å
240E89.1Confident91.6Very high95 Ų9526 Ų2644%0.44413%0.13SC..Hα-helixtrans-85.4-17.3179.9-71.1-168.3-165.800114.3K122 I236 L237K122-E240 HydrophobicContact CD-CB 4.44Å; K122-E240 WeakPolarHBondContact CD-O 3.48Å; K122-E240 IonicContact NZ-OE2 2.6Å; K122-E240 PolarHBondContact NZ-OE2 2.84Å; I236-E240 PolarHBondContact O-N 2.89Å; L237-E240 PolarHBondContact O-N 3.31Å; L237-E240 VanDerWaalsContact O-N 3.15Å
241C92Very high91.7Very high6 Ų625.5 Ų25.54%0.04113%0.127CC..  trans-84.3159-175.9-66.90000112.3I124 L237 Q278I124-C241 HydrophobicContact CB-CB 4.3Å; I124-C241 HydrophobicContact CG2-CB 3.87Å; L237-C241 PolarHBondContact O-N 3.13Å; L237-C241 PolarHBondContact O-SG 3.47Å; C241-Q278 VanDerWaalsContact O-CG 3.25Å; C241-Q278 WeakPolarHBondContact O-CG 3.49Å; C241-Q278 PolarHBondContact O-NE2 3.27Å
242H92.6Very high91.7Very high67 Ų6730.1 Ų30.131%0.3115%0.147SC..SBendtrans-99-35175.5-55.177.3000110.8Y121 K122 Q278 S279 L353Y121-H242 HydrophobicContact CD1-CB 4.29Å; Y121-H242 AromaticContact CD1-CD2 3.82Å; Y121-H242 AromaticContact CD1-CG 3.88Å; K122-H242 PolarHBondContact N-ND1 3.3Å; K122-H242 PolarHBondContact O-N 3.25Å; K122-H242 PolarHBondContact O-ND1 2.98Å; H242-Q278 WeakPolarHBondContact O-CA 3.31Å; H242-S279 PolarHBondContact O-N 3.23Å; H242-L353 HydrophobicContact CB-CD2 4.32Å
243V94.4Very high91.6Very high0 Ų030.2 Ų30.20%015%0.149CC..EExtended strand (participates in β ladder)trans-130.2128.9178.5-170.90000109.1C123 I124 L245 L281 L353C123-V243 WeakPolarHBondContact CA-O 3.19Å; C123-V243 HydrophobicContact CB-CB 4.5Å; I124-V243 PolarHBondContact N-O 3.1Å; V243-L245 HydrophobicContact CB-CD1 4.26Å; V243-L245 HydrophobicContact CG1-CD1 3.74Å; V243-L281 HydrophobicContact CG1-CD1 3.6Å; V243-L281 HydrophobicContact CG1-CG 3.91Å; V243-L353 HydrophobicContact CG2-CD2 3.46Å; V243-L353 VanDerWaalsContact CG2-CD2 3.46Å; V243-L353 HydrophobicContact CG2-CG 3.89Å
244I96Very high91.6Very high0 Ų031.7 Ų31.70%016%0.157CC..EExtended strand (participates in β ladder)trans-104121.7172.6-59.774000107.2I124 I126 L238 I270 L274 Q278 S279 L280 L281I124-I244 HydrophobicContact CG2-CB 4.07Å; I124-I244 HydrophobicContact CG2-CG1 3.78Å; I124-I244 HydrophobicContact CG2-CG2 4.05Å; I126-I244 HydrophobicContact CD1-CG2 3.92Å; I126-I244 HydrophobicContact CG1-CG2 4.11Å; L238-I244 HydrophobicContact CD2-CB 4.48Å; L238-I244 HydrophobicContact CD2-CG1 3.67Å; L238-I244 HydrophobicContact CD2-CG2 3.89Å; I244-I270 HydrophobicContact CB-CG2 4.44Å; I244-I270 HydrophobicContact CG1-CG2 4.44Å; I244-I270 HydrophobicContact CG2-CD1 4.21Å; I244-I270 HydrophobicContact CG2-CG2 4.08Å; I244-L274 HydrophobicContact CD1-CD2 3.43Å; I244-L274 VanDerWaalsContact CD1-CD2 3.43Å; I244-L274 HydrophobicContact CG1-CD2 4.12Å; I244-Q278 HydrophobicContact CD1-CB 4.34Å; I244-S279 WeakPolarHBondContact CD1-O 3.48Å; I244-S279 PolarHBondContact N-O 3.34Å; I244-L280 HydrophobicContact CB-CD1 4.04Å; I244-L280 HydrophobicContact CG2-CD1 3.8Å; I244-L280 CarbonylContact O-C 3.6Å; I244-L280 WeakPolarHBondContact O-CA 3.41Å; I244-L281 PolarHBondContact O-N 2.84Å
245L96.9Very high91.4Very high0 Ų031.9 Ų31.90%016%0.158CC..EExtended strand (participates in β ladder)trans-103.9105.5175.1-70.281.8000107.5C123 I124 M125 I126 M192 V243 I247 L281 I283 I349C123-L245 HydrophobicContact CB-CD1 4.18Å; I124-L245 PolarHBondContact O-N 2.95Å; M125-L245 WeakPolarHBondContact CA-O 3.36Å; M125-L245 HydrophobicContact CG-CB 3.65Å; M125-L245 HydrophobicContact CG-CD1 4.4Å; M125-L245 HydrophobicContact CG-CD2 3.87Å; M125-L245 HydrophobicContact CG-CG 4.19Å; M125-L245 HydrophobicContact SD-CD2 4.25Å; I126-L245 PolarHBondContact N-O 2.98Å; I126-L245 VanDerWaalsContact O-O 3.06Å; M192-L245 HydrophobicContact CE-CD1 4.14Å; M192-L245 HydrophobicContact CE-CD2 4.26Å; M192-L245 HydrophobicContact SD-CD1 4.39Å; V243-L245 HydrophobicContact CB-CD1 4.26Å; V243-L245 HydrophobicContact CG1-CD1 3.74Å; L245-I247 HydrophobicContact CB-CD1 4.06Å; L245-L281 HydrophobicContact CG-CD1 4.24Å; L245-I283 HydrophobicContact CB-CD1 4.13Å; L245-I283 HydrophobicContact CD2-CD1 3.76Å; L245-I283 HydrophobicContact CG-CD1 3.99Å; L245-I349 HydrophobicContact CD2-CD1 4.46Å; L245-I349 HydrophobicContact CD2-CG1 4.11Å
246Y96.5Very high91.1Very high0 Ų035.6 Ų35.60%018%0.178CC..EExtended strand (participates in β ladder)trans-97.1104.4175.1-170.1-88.3000109.8I126 P128 R208 I248 I263 E266 I267 I270 L281 I282 I283I126-Y246 HydrophobicContact CD1-CD2 4.17Å; I126-Y246 HydrophobicContact CG1-CD2 4.18Å; I126-Y246 CarbonylContact O-C 3.59Å; I126-Y246 VanDerWaalsContact O-CA 3.27Å; I126-Y246 WeakPolarHBondContact O-CA 3.5Å; P128-Y246 WeakPolarHBondContact CD-OH 3.45Å; R208-Y246 PolarHBondContact NH2-OH 3.21Å; Y246-I248 HydrophobicContact CD1-CD1 4.13Å; Y246-I248 HydrophobicContact CD1-CG1 3.89Å; Y246-I248 HydrophobicContact CE1-CD1 3.96Å; Y246-I248 HydrophobicContact CE1-CG1 3.71Å; Y246-I263 HydrophobicContact CE1-CG2 3.96Å; Y246-E266 HydrophobicContact CE2-CB 3.98Å; Y246-E266 VanDerWaalsContact CE2-OE2 3.27Å; Y246-E266 WeakPolarHBondContact CE2-OE2 3.45Å; Y246-E266 VanDerWaalsContact CZ-OE2 3.3Å; Y246-E266 PolarHBondContact OH-OE2 2.85Å; Y246-I267 HydrophobicContact CD1-CD1 3.93Å; Y246-I267 HydrophobicContact CD1-CG1 3.81Å; Y246-I267 HydrophobicContact CD2-CG1 4.44Å; Y246-I267 HydrophobicContact CE1-CD1 3.79Å; Y246-I267 HydrophobicContact CE1-CG1 3.75Å; Y246-I267 HydrophobicContact CE2-CG1 4.37Å; Y246-I267 HydrophobicContact CG-CG1 4.16Å; Y246-I270 HydrophobicContact CD2-CD1 3.49Å; Y246-I270 VanDerWaalsContact CD2-CD1 3.49Å; Y246-I270 HydrophobicContact CE2-CD1 4.14Å; Y246-I270 HydrophobicContact CG-CD1 4.22Å; Y246-L281 PolarHBondContact N-O 2.86Å; Y246-I282 HydrophobicContact CD1-CG2 4.5Å; Y246-I282 CarbonylContact O-C 3.3Å; Y246-I282 WeakPolarHBondContact O-CA 3.34Å; Y246-I283 PolarHBondContact O-N 3.45Å
247I95.2Very high90.9Very high0 Ų037.2 Ų37.20%018%0.184CC..EExtended strand (participates in β ladder)trans-93.7132.7-171.8-48-55.1000110.6M125 I126 G127 P128 G129 I130 I135 L139 L245 I283 A285M125-I247 HydrophobicContact CE-CG1 4.46Å; I126-I247 PolarHBondContact O-N 3.28Å; G127-I247 CarbonylContact C-O 3.53Å; G127-I247 VanDerWaalsContact C-O 3.3Å; P128-I247 WeakPolarHBondContact CD-O 3.48Å; G129-I247 PolarHBondContact N-O 3.02Å; I130-I247 HydrophobicContact CD1-CB 4.46Å; I130-I247 HydrophobicContact CD1-CG1 3.95Å; I130-I247 HydrophobicContact CG1-CB 3.75Å; I130-I247 HydrophobicContact CG1-CG1 3.49Å; I130-I247 VanDerWaalsContact CG1-CG1 3.49Å; I130-I247 HydrophobicContact CG1-CG2 4.32Å; I135-I247 HydrophobicContact CG2-CG2 4.23Å; L139-I247 HydrophobicContact CD1-CG1 4.35Å; L139-I247 HydrophobicContact CD1-CG2 3.79Å; L245-I247 HydrophobicContact CB-CD1 4.06Å; I247-I283 CarbonylContact C-O 3.49Å; I247-I283 WeakPolarHBondContact CA-O 3.12Å; I247-I283 HydrophobicContact CD1-CB 3.69Å; I247-I283 HydrophobicContact CD1-CD1 3.73Å; I247-I283 HydrophobicContact CD1-CG1 4.19Å; I247-I283 HydrophobicContact CD1-CG2 4.15Å; I247-A285 HydrophobicContact CG2-CB 3.77Å
248I94.1Very high90.8Very high0 Ų037.5 Ų37.50%019%0.185CC..EExtended strand (participates in β ladder)trans-123.5131.5176.2-58.7172.6000108.3P128 Y246 I250 L258 W260 I263 I282 I283 G284 A285 L300 L304P128-I248 HydrophobicContact CG-CG1 4.29Å; Y246-I248 HydrophobicContact CD1-CD1 4.13Å; Y246-I248 HydrophobicContact CD1-CG1 3.89Å; Y246-I248 HydrophobicContact CE1-CD1 3.96Å; Y246-I248 HydrophobicContact CE1-CG1 3.71Å; I248-I250 PolarHBondContact O-N 2.87Å; I248-L258 HydrophobicContact CG2-CD1 3.77Å; I248-W260 HydrophobicContact CG2-CH2 4.16Å; I248-I263 HydrophobicContact CD1-CG2 4.01Å; I248-I282 HydrophobicContact CD1-CG2 3.79Å; I248-I283 PolarHBondContact N-O 2.75Å; I248-G284 CarbonylContact O-C 3.58Å; I248-G284 WeakPolarHBondContact O-CA 3.28Å; I248-A285 PolarHBondContact O-N 2.98Å; I248-L300 HydrophobicContact CD1-CD1 4.2Å; I248-L304 HydrophobicContact CD1-CD1 4.5Å
249D91.6Very high90.6Very high4 Ų440.8 Ų40.82%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-70.3118.7170.4-164.2-31000109.9I135 T251 I254 A285I135-D249 HydrophobicContact CG1-CB 4.34Å; I135-D249 VanDerWaalsContact CG1-OD2 3.25Å; I135-D249 WeakPolarHBondContact CG1-OD2 3.41Å; D249-T251 VanDerWaalsContact OD1-CB 3.29Å; D249-T251 WeakPolarHBondContact OD1-CB 3.45Å; D249-T251 WeakPolarHBondContact OD1-CG2 3.34Å; D249-T251 PolarHBondContact OD1-N 2.9Å; D249-T251 PolarHBondContact OD1-OG1 3.11Å; D249-I254 HydrophobicContact CB-CG2 4.41Å; D249-I254 VanDerWaalsContact OD2-CD1 3.22Å; D249-I254 WeakPolarHBondContact OD2-CD1 3.42Å; D249-A285 WeakPolarHBondContact CA-O 3.46Å
250I91.8Very high90.5Very high3 Ų336.7 Ų36.72%0.01518%0.184CC..  trans-100.78.2-17859.5166.5000114.1I248 A285 C294 I295 L300 L334I248-I250 PolarHBondContact O-N 2.87Å; I250-A285 VanDerWaalsContact CG1-C 3.49Å; I250-A285 WeakPolarHBondContact CG1-O 3.43Å; I250-A285 PolarHBondContact N-O 3.16Å; I250-A285 VanDerWaalsContact N-O 3.07Å; I250-C294 HydrophobicContact CD1-CB 3.91Å; I250-C294 HydrophobicContact CG1-CB 4.11Å; I250-C294 WeakPolarHBondContact O-CA 3.26Å; I250-I295 HydrophobicContact CB-CD1 4.43Å; I250-I295 HydrophobicContact CB-CG1 3.67Å; I250-I295 HydrophobicContact CG2-CD1 4.22Å; I250-I295 HydrophobicContact CG2-CG1 3.95Å; I250-I295 PolarHBondContact O-N 3.37Å; I250-L300 HydrophobicContact CG2-CD2 4.33Å; I250-L334 HydrophobicContact CD1-CB 4.45Å; I250-L334 HydrophobicContact CD1-CD1 4.23Å; I250-L334 HydrophobicContact CD1-CD2 3.97Å; I250-L334 HydrophobicContact CD1-CG 4.45Å; I250-L334 HydrophobicContact CG2-CD2 4.31Å
251T91.1Very high90.3Very high0 Ų037 Ų370%019%0.186CC..BIsolated β-bridgetrans-65.1133.8175.758.30000109.8D249 S253 I254 I255 E292D249-T251 VanDerWaalsContact OD1-CB 3.29Å; D249-T251 WeakPolarHBondContact OD1-CB 3.45Å; D249-T251 WeakPolarHBondContact OD1-CG2 3.34Å; D249-T251 PolarHBondContact OD1-N 2.9Å; D249-T251 PolarHBondContact OD1-OG1 3.11Å; T251-S253 PolarHBondContact O-N 3.24Å; T251-S253 PolarHBondContact OG1-OG 3.44Å; T251-I254 PolarHBondContact O-N 3.28Å; T251-I254 VanDerWaalsContact O-N 3.08Å; T251-I255 WeakPolarHBondContact O-CB 3.19Å; T251-I255 PolarHBondContact O-N 2.98Å; T251-E292 WeakPolarHBondContact CB-OE2 3.5Å; T251-E292 HydrophobicContact CG2-CB 4.23Å; T251-E292 WeakPolarHBondContact CG2-OE2 3.4Å
252K89.6Confident90Very high101 Ų10136.9 Ų36.944%0.43918%0.184SC..Hα-helixtrans-61.8-24.7-177.8-77.3-170.3-173175.10113.1I254 E293 I295K252-I254 VanDerWaalsContact C-N 3.28Å; K252-I254 PolarHBondContact O-N 2.88Å; K252-E293 HydrophobicContact CB-CB 4.47Å; K252-E293 WeakPolarHBondContact CB-O 3.27Å; K252-E293 HydrophobicContact CD-CB 3.74Å; K252-E293 WeakPolarHBondContact CD-OE2 3.48Å; K252-E293 WeakPolarHBondContact CE-OE2 3.3Å; K252-E293 HydrophobicContact CG-CB 4.15Å; K252-E293 WeakPolarHBondContact CG-O 2.92Å; K252-E293 PolarHBondContact N-O 3.48Å; K252-E293 IonicContact NZ-OE2 2.75Å; K252-E293 PolarHBondContact NZ-OE2 3.29Å; K252-I295 HydrophobicContact CG-CG2 4.07Å
253S86.4Confident89.9Confident65 Ų6533.8 Ų33.846%0.45517%0.17SC..Hα-helixtrans-64.9-30.9175.743.40000112.7T251T251-S253 PolarHBondContact O-N 3.24Å; T251-S253 PolarHBondContact OG1-OG 3.44Å
254I85.4Confident89.6Confident46 Ų4634.4 Ų34.424%0.23617%0.174CC..Hα-helixtrans-109.1-28.5-173.4-62.4169.8000111.7D249 T251 K252 D256 E257 L258D249-I254 HydrophobicContact CB-CG2 4.41Å; D249-I254 VanDerWaalsContact OD2-CD1 3.22Å; D249-I254 WeakPolarHBondContact OD2-CD1 3.42Å; T251-I254 PolarHBondContact O-N 3.28Å; T251-I254 VanDerWaalsContact O-N 3.08Å; K252-I254 VanDerWaalsContact C-N 3.28Å; K252-I254 PolarHBondContact O-N 2.88Å; I254-D256 VanDerWaalsContact C-N 3.26Å; I254-D256 PolarHBondContact O-N 3.47Å; I254-D256 VanDerWaalsContact O-N 3.09Å; I254-E257 WeakPolarHBondContact O-CB 3.43Å; I254-E257 PolarHBondContact O-N 3.05Å; I254-L258 HydrophobicContact CG2-CD2 3.99Å; I254-L258 HydrophobicContact CG2-CG 4.23Å; I254-L258 PolarHBondContact O-N 3.41Å
255I86Confident89.1Confident4 Ų435.7 Ų35.72%0.02118%0.179CC..Hα-helixtrans-55.7-34.2-168.7-163.576.9000115T251 L258 W260 I295 K303T251-I255 WeakPolarHBondContact O-CB 3.19Å; T251-I255 PolarHBondContact O-N 2.98Å; I255-L258 HydrophobicContact CD1-CD1 4.22Å; I255-W260 HydrophobicContact CD1-CH2 3.83Å; I255-W260 HydrophobicContact CD1-CZ2 3.44Å; I255-W260 VanDerWaalsContact CD1-CZ2 3.44Å; I255-W260 HydrophobicContact CG1-CZ2 3.78Å; I255-W260 PolarHBondContact O-NE1 3.32Å; I255-I295 HydrophobicContact CB-CG2 4.38Å; I255-I295 HydrophobicContact CD1-CD1 3.46Å; I255-I295 VanDerWaalsContact CD1-CD1 3.46Å; I255-I295 HydrophobicContact CD1-CG1 3.98Å; I255-I295 HydrophobicContact CG1-CD1 3.9Å; I255-I295 HydrophobicContact CG1-CG1 4.37Å; I255-I295 HydrophobicContact CG1-CG2 4.01Å; I255-I295 HydrophobicContact CG2-CG2 4.09Å; I255-K303 HydrophobicContact CG1-CD 4.25Å
256D84.7Confident88.8Confident126 Ų12635.7 Ų35.767%0.67418%0.179SC*.THydrogen-bonded Turntrans-86.3-15.7-178.1-68.9-26.6000112.2I254 K303I254-D256 VanDerWaalsContact C-N 3.26Å; I254-D256 PolarHBondContact O-N 3.47Å; I254-D256 VanDerWaalsContact O-N 3.09Å; D256-K303 IonicContact OD1-NZ 2.68Å; D256-K303 PolarHBondContact OD1-NZ 3.35Å
257E85Confident88.6Confident123 Ų12335.7 Ų35.758%0.57518%0.179SC*.THydrogen-bonded Turntrans-89.5-7.6173.2-51.4-173.6159.600112.8K206 I254K206-E257 IonicContact NZ-OE2 3.03Å; K206-E257 PolarHBondContact NZ-OE2 3.32Å; I254-E257 WeakPolarHBondContact O-CB 3.43Å; I254-E257 PolarHBondContact O-N 3.05Å
258L86.7Confident88.2Confident19 Ų1936.5 Ų36.510%0.09918%0.183CC..SBendtrans-71.7136176.8-68.3-178.8000111P128 I248 I254 I255 W260 I263P128-L258 HydrophobicContact CB-CD2 4.29Å; I248-L258 HydrophobicContact CG2-CD1 3.77Å; I254-L258 HydrophobicContact CG2-CD2 3.99Å; I254-L258 HydrophobicContact CG2-CG 4.23Å; I254-L258 PolarHBondContact O-N 3.41Å; I255-L258 HydrophobicContact CD1-CD1 4.22Å; L258-W260 HydrophobicContact CB-CZ2 4.29Å; L258-W260 HydrophobicContact CD1-CH2 4.43Å; L258-W260 HydrophobicContact CD1-CZ2 3.96Å; L258-W260 PolarHBondContact O-N 3.14Å; L258-W260 PolarHBondContact O-NE1 3.48Å; L258-I263 HydrophobicContact CB-CD1 3.96Å; L258-I263 HydrophobicContact CD1-CD1 4.13Å; L258-I263 HydrophobicContact CG-CD1 4.5Å
259N88Confident87.9Confident71 Ų7138.2 Ų38.238%0.3819%0.192SC..  trans-77.690.4172.6-171.2-23.2000110.7E261 Q262 I263N259-E261 VanDerWaalsContact C-N 3.32Å; N259-E261 PolarHBondContact O-N 3.16Å; N259-E261 PolarHBondContact OD1-N 3.14Å; N259-Q262 HydrophobicContact CB-CB 4.05Å; N259-Q262 PolarHBondContact O-N 3.37Å; N259-Q262 PolarHBondContact OD1-N 3.09Å; N259-Q262 VanDerWaalsContact OD1-N 3.12Å; N259-I263 WeakPolarHBondContact O-CG1 3.48Å; N259-I263 PolarHBondContact O-N 3.46Å
260W87.3Confident88Confident40 Ų4038 Ų3815%0.15219%0.191CC..Hα-helixtrans-64.5-31.6-177.9-7196000114.1I248 I255 L258 Q262 I263 T264 L300 K303 L304I248-W260 HydrophobicContact CG2-CH2 4.16Å; I255-W260 HydrophobicContact CD1-CH2 3.83Å; I255-W260 HydrophobicContact CD1-CZ2 3.44Å; I255-W260 VanDerWaalsContact CD1-CZ2 3.44Å; I255-W260 HydrophobicContact CG1-CZ2 3.78Å; I255-W260 PolarHBondContact O-NE1 3.32Å; L258-W260 HydrophobicContact CB-CZ2 4.29Å; L258-W260 HydrophobicContact CD1-CH2 4.43Å; L258-W260 HydrophobicContact CD1-CZ2 3.96Å; L258-W260 PolarHBondContact O-N 3.14Å; L258-W260 PolarHBondContact O-NE1 3.48Å; W260-Q262 VanDerWaalsContact C-N 3.33Å; W260-I263 HydrophobicContact CD2-CD1 4.47Å; W260-I263 HydrophobicContact CE3-CD1 4.26Å; W260-I263 HydrophobicContact CE3-CG2 4.46Å; W260-I263 HydrophobicContact CZ3-CD1 4.4Å; W260-I263 PolarHBondContact O-N 3Å; W260-T264 VanDerWaalsContact O-CB 3.28Å; W260-T264 WeakPolarHBondContact O-CB 3.18Å; W260-T264 PolarHBondContact O-N 3.37Å; W260-T264 PolarHBondContact O-OG1 2.85Å; W260-L300 HydrophobicContact CH2-CD1 3.86Å; W260-L300 HydrophobicContact CZ3-CD1 4.09Å; W260-K303 HydrophobicContact CD2-CB 3.93Å; W260-K303 HydrophobicContact CD2-CD 3.88Å; W260-K303 HydrophobicContact CD2-CG 4.46Å; W260-K303 HydrophobicContact CE3-CB 3.65Å; W260-K303 HydrophobicContact CE3-CD 4.32Å; W260-K303 HydrophobicContact CH2-CB 3.95Å; W260-K303 HydrophobicContact CH2-CD 3.73Å; W260-K303 HydrophobicContact CH2-CG 4.47Å; W260-K303 HydrophobicContact CZ2-CB 4.24Å; W260-K303 HydrophobicContact CZ2-CD 3.24Å; W260-K303 HydrophobicContact CZ2-CG 4.36Å; W260-K303 HydrophobicContact CZ3-CB 3.64Å; W260-K303 HydrophobicContact CZ3-CD 4.24Å; W260-L304 HydrophobicContact CE3-CD2 4.32Å; W260-L304 HydrophobicContact CZ3-CD2 4.03Å; W260-L304 HydrophobicContact CZ3-CG 4.36Å
261E85.2Confident87.8Confident103 Ų10338 Ų3848%0.48119%0.191SC..Hα-helixtrans-63.8-44.2175.7-170-169.8153.700110.3N259 T264 K265N259-E261 VanDerWaalsContact C-N 3.32Å; N259-E261 PolarHBondContact O-N 3.16Å; N259-E261 PolarHBondContact OD1-N 3.14Å; E261-T264 WeakPolarHBondContact O-CB 3.3Å; E261-T264 PolarHBondContact O-N 3.32Å; E261-K265 HydrophobicContact CG-CD 4.49Å; E261-K265 WeakPolarHBondContact O-CG 3.37Å; E261-K265 PolarHBondContact O-N 3.03Å; E261-K265 VanDerWaalsContact OE1-CE 3.28Å; E261-K265 WeakPolarHBondContact OE1-CE 3.33Å; E261-K265 IonicContact OE1-NZ 3.02Å; E261-K265 PolarHBondContact OE1-NZ 2.6Å
262Q86.8Confident87.6Confident2 Ų239.3 Ų39.31%0.00920%0.198CC..Hα-helixtrans-67-45.8176.4-173.7-169-42.100112.3K206 N207 R208 I209 N259 W260 T264 K265 E266K206-Q262 PolarHBondContact O-OE1 3.09Å; N207-Q262 PolarHBondContact OD1-OE1 3.16Å; R208-Q262 VanDerWaalsContact CG-NE2 3.27Å; R208-Q262 VanDerWaalsContact NE-NE2 3.16Å; I209-Q262 HydrophobicContact CD1-CB 4.42Å; I209-Q262 HydrophobicContact CD1-CG 3.9Å; I209-Q262 HydrophobicContact CG1-CG 4.02Å; N259-Q262 HydrophobicContact CB-CB 4.05Å; N259-Q262 PolarHBondContact O-N 3.37Å; N259-Q262 PolarHBondContact OD1-N 3.09Å; N259-Q262 VanDerWaalsContact OD1-N 3.12Å; W260-Q262 VanDerWaalsContact C-N 3.33Å; Q262-T264 PolarHBondContact O-N 2.68Å; Q262-K265 WeakPolarHBondContact O-CB 3.45Å; Q262-K265 PolarHBondContact O-N 2.75Å; Q262-K265 VanDerWaalsContact O-N 3.12Å; Q262-E266 PolarHBondContact NE2-OE1 2.85Å; Q262-E266 WeakPolarHBondContact O-CG 3.46Å; Q262-E266 PolarHBondContact O-N 3.02Å
263I90.1Very high87.4Confident2 Ų236 Ų361%0.0119%0.188CC..Hα-helixtrans-55.2-42.8175.2-70.8169.2000110.5P128 Y246 I248 L258 N259 W260 E266 I267 L304P128-I263 HydrophobicContact CG-CD1 3.92Å; P128-I263 HydrophobicContact CG-CG1 4.03Å; Y246-I263 HydrophobicContact CE1-CG2 3.96Å; I248-I263 HydrophobicContact CD1-CG2 4.01Å; L258-I263 HydrophobicContact CB-CD1 3.96Å; L258-I263 HydrophobicContact CD1-CD1 4.13Å; L258-I263 HydrophobicContact CG-CD1 4.5Å; N259-I263 WeakPolarHBondContact O-CG1 3.48Å; N259-I263 PolarHBondContact O-N 3.46Å; W260-I263 HydrophobicContact CD2-CD1 4.47Å; W260-I263 HydrophobicContact CE3-CD1 4.26Å; W260-I263 HydrophobicContact CE3-CG2 4.46Å; W260-I263 HydrophobicContact CZ3-CD1 4.4Å; W260-I263 PolarHBondContact O-N 3Å; I263-E266 PolarHBondContact O-N 3.36Å; I263-I267 HydrophobicContact CG2-CD1 3.69Å; I263-I267 WeakPolarHBondContact O-CG1 3.46Å; I263-I267 PolarHBondContact O-N 3.22Å; I263-L304 HydrophobicContact CG2-CD2 4.08Å
264T87.9Confident87.5Confident13 Ų1333 Ų338%0.0817%0.167CC..Hα-helixtrans-60.6-48.7176.8-60.50000111.2W260 E261 Q262 E266 I267 I268 C306 I307W260-T264 VanDerWaalsContact O-CB 3.28Å; W260-T264 WeakPolarHBondContact O-CB 3.18Å; W260-T264 PolarHBondContact O-N 3.37Å; W260-T264 PolarHBondContact O-OG1 2.85Å; E261-T264 WeakPolarHBondContact O-CB 3.3Å; E261-T264 PolarHBondContact O-N 3.32Å; Q262-T264 PolarHBondContact O-N 2.68Å; T264-E266 PolarHBondContact O-N 3.21Å; T264-I267 PolarHBondContact O-N 3.22Å; T264-I268 HydrophobicContact CG2-CD1 3.8Å; T264-I268 WeakPolarHBondContact O-CB 3.35Å; T264-I268 VanDerWaalsContact O-CG1 3.26Å; T264-I268 WeakPolarHBondContact O-CG1 3.49Å; T264-I268 PolarHBondContact O-N 3.09Å; T264-C306 HydrophobicContact CG2-CB 4.4Å; T264-I307 HydrophobicContact CG2-CD1 4.16Å; T264-I307 HydrophobicContact CG2-CG1 3.62Å
265K86.1Confident87.5Confident28 Ų2834.2 Ų34.212%0.12217%0.174CC..Hα-helixtrans-57.6-47.5176.7-73.4165.9175.5175.90111.9I209 I228 E261 Q262 I268 L269 M321I209-K265 HydrophobicContact CD1-CD 4.13Å; I228-K265 HydrophobicContact CD1-CD 3.64Å; I228-K265 HydrophobicContact CD1-CG 4.45Å; E261-K265 HydrophobicContact CG-CD 4.49Å; E261-K265 WeakPolarHBondContact O-CG 3.37Å; E261-K265 PolarHBondContact O-N 3.03Å; E261-K265 VanDerWaalsContact OE1-CE 3.28Å; E261-K265 WeakPolarHBondContact OE1-CE 3.33Å; E261-K265 IonicContact OE1-NZ 3.02Å; E261-K265 PolarHBondContact OE1-NZ 2.6Å; Q262-K265 WeakPolarHBondContact O-CB 3.45Å; Q262-K265 PolarHBondContact O-N 2.75Å; Q262-K265 VanDerWaalsContact O-N 3.12Å; K265-I268 PolarHBondContact O-N 3.43Å; K265-L269 WeakPolarHBondContact O-CG 3.22Å; K265-L269 PolarHBondContact O-N 3.19Å; K265-M321 HydrophobicContact CD-CE 4.47Å; K265-M321 HydrophobicContact CG-CE 3.75Å
266E90.5Very high87.4Confident0 Ų038.6 Ų38.60%020%0.201CC..Hα-helixtrans-59.1-51.8179-70.2176.2-161.400111.6R208 L214 L215 Y246 Q262 I263 T264 I268 L269 I270R208-E266 VanDerWaalsContact CZ-CD 3.42Å; R208-E266 IonicContact CZ-OE1 2.9Å; R208-E266 IonicContact CZ-OE2 2.83Å; R208-E266 IonicContact NE-OE1 3.7Å; R208-E266 PolarHBondContact NE-OE1 3.26Å; R208-E266 IonicContact NE-OE2 3.19Å; R208-E266 IonicContact NH1-OE1 3.62Å; R208-E266 PolarHBondContact NH1-OE1 3.12Å; R208-E266 IonicContact NH1-OE2 3.02Å; R208-E266 PolarHBondContact NH1-OE2 2.82Å; R208-E266 IonicContact NH2-OE1 2.94Å; R208-E266 PolarHBondContact NH2-OE1 3.08Å; R208-E266 VanDerWaalsContact NH2-OE1 3.11Å; R208-E266 IonicContact NH2-OE2 3.87Å; R208-E266 PolarHBondContact NH2-OE2 3.27Å; L214-E266 HydrophobicContact CD2-CB 4.41Å; L214-E266 VanDerWaalsContact CD2-CD 3.46Å; L214-E266 HydrophobicContact CD2-CG 3.85Å; L214-E266 WeakPolarHBondContact CD2-OE2 3.43Å; L215-E266 HydrophobicContact CD1-CG 3.44Å; L215-E266 VanDerWaalsContact CD1-CG 3.44Å; L215-E266 HydrophobicContact CD2-CG 4.3Å; L215-E266 HydrophobicContact CG-CG 3.99Å; Y246-E266 HydrophobicContact CE2-CB 3.98Å; Y246-E266 VanDerWaalsContact CE2-OE2 3.27Å; Y246-E266 WeakPolarHBondContact CE2-OE2 3.45Å; Y246-E266 VanDerWaalsContact CZ-OE2 3.3Å; Y246-E266 PolarHBondContact OH-OE2 2.85Å; Q262-E266 PolarHBondContact NE2-OE1 2.85Å; Q262-E266 WeakPolarHBondContact O-CG 3.46Å; Q262-E266 PolarHBondContact O-N 3.02Å; I263-E266 PolarHBondContact O-N 3.36Å; T264-E266 PolarHBondContact O-N 3.21Å; E266-I268 VanDerWaalsContact C-N 3.32Å; E266-I268 PolarHBondContact O-N 2.77Å; E266-L269 PolarHBondContact O-N 3.11Å; E266-I270 WeakPolarHBondContact O-CG1 3.14Å; E266-I270 PolarHBondContact O-N 3.15Å
267I91.7Very high87.4Confident0 Ų037.8 Ų37.80%020%0.196CC..Hα-helixtrans-62.2-40.4-179.3-68.7166.9000111.3Y246 I263 T264 L269 I270 L271 L280 I282 L304 I307Y246-I267 HydrophobicContact CD1-CD1 3.93Å; Y246-I267 HydrophobicContact CD1-CG1 3.81Å; Y246-I267 HydrophobicContact CD2-CG1 4.44Å; Y246-I267 HydrophobicContact CE1-CD1 3.79Å; Y246-I267 HydrophobicContact CE1-CG1 3.75Å; Y246-I267 HydrophobicContact CE2-CG1 4.37Å; Y246-I267 HydrophobicContact CG-CG1 4.16Å; I263-I267 HydrophobicContact CG2-CD1 3.69Å; I263-I267 WeakPolarHBondContact O-CG1 3.46Å; I263-I267 PolarHBondContact O-N 3.22Å; T264-I267 PolarHBondContact O-N 3.22Å; I267-L269 VanDerWaalsContact C-N 3.35Å; I267-I270 PolarHBondContact O-N 3.38Å; I267-L271 HydrophobicContact CG2-CD1 3.89Å; I267-L271 HydrophobicContact CG2-CG 4.31Å; I267-L271 WeakPolarHBondContact O-CB 3.47Å; I267-L271 WeakPolarHBondContact O-CG 3.29Å; I267-L271 PolarHBondContact O-N 2.87Å; I267-L280 HydrophobicContact CG2-CD2 4.08Å; I267-I282 HydrophobicContact CD1-CD1 4.13Å; I267-I282 HydrophobicContact CD1-CG1 4.39Å; I267-I282 HydrophobicContact CD1-CG2 4.35Å; I267-I282 HydrophobicContact CG2-CD1 3.85Å; I267-L304 HydrophobicContact CD1-CD2 3.79Å; I267-I307 HydrophobicContact CB-CD1 3.81Å; I267-I307 HydrophobicContact CD1-CD1 3.83Å; I267-I307 HydrophobicContact CG1-CD1 4.44Å; I267-I307 HydrophobicContact CG2-CD1 3.7Å; I267-I307 HydrophobicContact CG2-CG2 3.99Å
268I86.9Confident87.6Confident16 Ų1632.1 Ų32.18%0.08217%0.17CC..Hα-helixtrans-61.4-44.7176.1-71.9170.4000110.8T264 K265 E266 I270 L271 N272 I307 M321T264-I268 HydrophobicContact CG2-CD1 3.8Å; T264-I268 WeakPolarHBondContact O-CB 3.35Å; T264-I268 VanDerWaalsContact O-CG1 3.26Å; T264-I268 WeakPolarHBondContact O-CG1 3.49Å; T264-I268 PolarHBondContact O-N 3.09Å; K265-I268 PolarHBondContact O-N 3.43Å; E266-I268 VanDerWaalsContact C-N 3.32Å; E266-I268 PolarHBondContact O-N 2.77Å; I268-I270 VanDerWaalsContact C-N 3.33Å; I268-I270 PolarHBondContact O-N 3.22Å; I268-L271 PolarHBondContact O-N 2.82Å; I268-N272 WeakPolarHBondContact O-CB 3.05Å; I268-N272 PolarHBondContact O-N 3.13Å; I268-I307 HydrophobicContact CG1-CG1 4.39Å; I268-I307 HydrophobicContact CG1-CG2 4.43Å; I268-M321 HydrophobicContact CD1-CB 4.42Å; I268-M321 HydrophobicContact CD1-SD 4.01Å; I268-M321 HydrophobicContact CG2-CB 4.17Å; I268-M321 HydrophobicContact CG2-CG 4.36Å
269L88.4Confident87.9Confident36 Ų3631.2 Ų31.219%0.18817%0.165CC..Hα-helixtrans-61.8-41.7176.2-70.9171.6000111.5L215 I228 F230 K265 E266 I267 N272 S273L215-L269 HydrophobicContact CD2-CD1 3.6Å; I228-L269 HydrophobicContact CG2-CD1 4Å; I228-L269 WeakPolarHBondContact O-CD2 3.49Å; F230-L269 HydrophobicContact CD2-CB 4.19Å; F230-L269 HydrophobicContact CE1-CB 4.35Å; F230-L269 VanDerWaalsContact CE2-C 3.47Å; F230-L269 HydrophobicContact CE2-CB 3.42Å; F230-L269 VanDerWaalsContact CE2-CB 3.42Å; F230-L269 HydrophobicContact CZ-CB 3.46Å; F230-L269 VanDerWaalsContact CZ-CB 3.46Å; K265-L269 WeakPolarHBondContact O-CG 3.22Å; K265-L269 PolarHBondContact O-N 3.19Å; E266-L269 PolarHBondContact O-N 3.11Å; I267-L269 VanDerWaalsContact C-N 3.35Å; L269-N272 PolarHBondContact O-N 3.37Å; L269-S273 WeakPolarHBondContact O-CB 3.4Å; L269-S273 PolarHBondContact O-N 3.26Å; L269-S273 VanDerWaalsContact O-N 3.15Å; L269-S273 PolarHBondContact O-OG 2.9Å
270I92.1Very high88.2Confident0 Ų027.9 Ų27.90%015%0.147CC..Hα-helixtrans-58.1-57.5174.4-62.5171.4000108.8I126 F230 I244 Y246 E266 I267 I268 N272 S273 L274 L280I126-I270 HydrophobicContact CD1-CD1 3.6Å; I126-I270 HydrophobicContact CD1-CG1 4.35Å; F230-I270 HydrophobicContact CE1-CG1 4.42Å; F230-I270 HydrophobicContact CE2-CG1 4.19Å; F230-I270 HydrophobicContact CZ-CB 4.44Å; F230-I270 HydrophobicContact CZ-CG1 3.55Å; I244-I270 HydrophobicContact CB-CG2 4.44Å; I244-I270 HydrophobicContact CG1-CG2 4.44Å; I244-I270 HydrophobicContact CG2-CD1 4.21Å; I244-I270 HydrophobicContact CG2-CG2 4.08Å; Y246-I270 HydrophobicContact CD2-CD1 3.49Å; Y246-I270 VanDerWaalsContact CD2-CD1 3.49Å; Y246-I270 HydrophobicContact CE2-CD1 4.14Å; Y246-I270 HydrophobicContact CG-CD1 4.22Å; E266-I270 WeakPolarHBondContact O-CG1 3.14Å; E266-I270 PolarHBondContact O-N 3.15Å; I267-I270 PolarHBondContact O-N 3.38Å; I268-I270 VanDerWaalsContact C-N 3.33Å; I268-I270 PolarHBondContact O-N 3.22Å; I270-N272 PolarHBondContact O-N 3.23Å; I270-S273 WeakPolarHBondContact O-CA 3.41Å; I270-S273 WeakPolarHBondContact O-CB 3.47Å; I270-S273 PolarHBondContact O-N 3.08Å; I270-S273 PolarHBondContact O-OG 3Å; I270-L274 HydrophobicContact CG2-CD2 3.85Å; I270-L274 HydrophobicContact CG2-CG 4.22Å; I270-L274 WeakPolarHBondContact O-CG 3.22Å; I270-L274 PolarHBondContact O-N 2.88Å; I270-L274 VanDerWaalsContact O-N 3.13Å; I270-L280 HydrophobicContact CB-CD2 4.36Å; I270-L280 HydrophobicContact CD1-CD1 4.32Å; I270-L280 HydrophobicContact CG2-CD1 4.04Å; I270-L280 HydrophobicContact CG2-CD2 4Å; I270-L280 HydrophobicContact CG2-CG 4.43Å
271L89.1Confident88.6Confident3 Ų326 Ų262%0.01614%0.14CC..Hα-helixtrans-55-38.9-177.3-73170.3000112.5I267 I268 S273 L274 L280 I307 L323 A328 W330I267-L271 HydrophobicContact CG2-CD1 3.89Å; I267-L271 HydrophobicContact CG2-CG 4.31Å; I267-L271 WeakPolarHBondContact O-CB 3.47Å; I267-L271 WeakPolarHBondContact O-CG 3.29Å; I267-L271 PolarHBondContact O-N 2.87Å; I268-L271 PolarHBondContact O-N 2.82Å; L271-S273 VanDerWaalsContact C-N 3.26Å; L271-S273 PolarHBondContact O-N 3.16Å; L271-L274 HydrophobicContact CD2-CD1 4.15Å; L271-L274 PolarHBondContact O-N 3.3Å; L271-L280 HydrophobicContact CD2-CB 4.5Å; L271-L280 HydrophobicContact CD2-CD2 3.72Å; L271-L280 HydrophobicContact CG-CD2 3.83Å; L271-I307 HydrophobicContact CD1-CG2 3.73Å; L271-L323 HydrophobicContact CB-CD2 3.57Å; L271-L323 HydrophobicContact CD1-CD2 3.78Å; L271-L323 HydrophobicContact CG-CD2 4.3Å; L271-A328 HydrophobicContact CD2-CB 3.99Å; L271-W330 HydrophobicContact CD2-CB 3.95Å; L271-W330 HydrophobicContact CD2-CG 4.01Å
272N85.5Confident89.1Confident28 Ų2821.2 Ų21.215%0.1512%0.118CC..Hα-helixtrans-70.7-20.1177-79.9-20.6000114.2I268 L269 I270 I322 L323 K324I268-N272 WeakPolarHBondContact O-CB 3.05Å; I268-N272 PolarHBondContact O-N 3.13Å; L269-N272 PolarHBondContact O-N 3.37Å; I270-N272 PolarHBondContact O-N 3.23Å; N272-I322 PolarHBondContact OD1-O 3.28Å; N272-L323 WeakPolarHBondContact OD1-CA 3.27Å; N272-K324 PolarHBondContact OD1-N 3.05Å
273S86.2Confident89.5Confident32 Ų3221.1 Ų21.122%0.22412%0.117CC..Hα-helixtrans-94.1-16.8178.7750000113.9L269 I270 L271L269-S273 WeakPolarHBondContact O-CB 3.4Å; L269-S273 PolarHBondContact O-N 3.26Å; L269-S273 VanDerWaalsContact O-N 3.15Å; L269-S273 PolarHBondContact O-OG 2.9Å; I270-S273 WeakPolarHBondContact O-CA 3.41Å; I270-S273 WeakPolarHBondContact O-CB 3.47Å; I270-S273 PolarHBondContact O-N 3.08Å; I270-S273 PolarHBondContact O-OG 3Å; L271-S273 VanDerWaalsContact C-N 3.26Å; L271-S273 PolarHBondContact O-N 3.16Å
274L88.2Confident89.7Confident2 Ų221 Ų211%0.0112%0.117CC..  trans-68.8139.8-175.4-61.9-175.7000112.1I244 I270 L271 Q278 L280 I325 A328I244-L274 HydrophobicContact CD1-CD2 3.43Å; I244-L274 VanDerWaalsContact CD1-CD2 3.43Å; I244-L274 HydrophobicContact CG1-CD2 4.12Å; I270-L274 HydrophobicContact CG2-CD2 3.85Å; I270-L274 HydrophobicContact CG2-CG 4.22Å; I270-L274 WeakPolarHBondContact O-CG 3.22Å; I270-L274 PolarHBondContact O-N 2.88Å; I270-L274 VanDerWaalsContact O-N 3.13Å; L271-L274 HydrophobicContact CD2-CD1 4.15Å; L271-L274 PolarHBondContact O-N 3.3Å; L274-Q278 HydrophobicContact CB-CB 4.32Å; L274-Q278 HydrophobicContact CD2-CB 4.05Å; L274-L280 HydrophobicContact CD1-CB 3.76Å; L274-I325 WeakPolarHBondContact O-CD1 2.92Å; L274-A328 HydrophobicContact CD1-CB 4.35Å
275N85.3Confident90Very high70 Ų7020.4 Ų20.437%0.37411%0.113SC..  trans-90.4172.916569.347000111.6N277 Q278N275-N277 PolarHBondContact O-N 3.33Å; N275-N277 VanDerWaalsContact O-N 3.15Å; N275-N277 WeakPolarHBondContact OD1-CA 3.48Å; N275-N277 WeakPolarHBondContact OD1-CB 3.45Å; N275-N277 PolarHBondContact OD1-N 3.5Å; N275-Q278 VanDerWaalsContact ND2-CD 3.34Å; N275-Q278 PolarHBondContact ND2-OE1 2.97Å; N275-Q278 PolarHBondContact O-N 3.4Å; N275-Q278 WeakPolarHBondContact OD1-CG 3.49Å; N275-Q278 PolarHBondContact OD1-N 2.94Å
276V83.1Confident90.2Very high97 Ų9719 Ų1959%0.58811%0.107SC*.THydrogen-bonded Turntrans-61.6-22.8-179-64.90000114.4R355V276-R355 PolarHBondContact O-NH2 3.18Å
277N84.7Confident89.9Confident108 Ų10819.4 Ų19.458%0.57811%0.109SC*.THydrogen-bonded Turntrans-91.1-7.5179.9-63.6-22.9000112.4N275 R355N275-N277 PolarHBondContact O-N 3.33Å; N275-N277 VanDerWaalsContact O-N 3.15Å; N275-N277 WeakPolarHBondContact OD1-CA 3.48Å; N275-N277 WeakPolarHBondContact OD1-CB 3.45Å; N275-N277 PolarHBondContact OD1-N 3.5Å; N277-R355 PolarHBondContact O-NH1 3.46Å; N277-R355 PolarHBondContact O-NH2 3.24Å
278Q90.7Very high89.4Confident5 Ų525 Ų252%0.02313%0.133CC..  trans-96.7150.2178.8-72172.2-38.200113L238 K239 C241 H242 I244 L274 N275 R355L238-Q278 PolarHBondContact O-NE2 2.91Å; K239-Q278 PolarHBondContact O-NE2 3.19Å; C241-Q278 VanDerWaalsContact O-CG 3.25Å; C241-Q278 WeakPolarHBondContact O-CG 3.49Å; C241-Q278 PolarHBondContact O-NE2 3.27Å; H242-Q278 WeakPolarHBondContact O-CA 3.31Å; I244-Q278 HydrophobicContact CD1-CB 4.34Å; L274-Q278 HydrophobicContact CB-CB 4.32Å; L274-Q278 HydrophobicContact CD2-CB 4.05Å; N275-Q278 VanDerWaalsContact ND2-CD 3.34Å; N275-Q278 PolarHBondContact ND2-OE1 2.97Å; N275-Q278 PolarHBondContact O-N 3.4Å; N275-Q278 WeakPolarHBondContact OD1-CG 3.49Å; N275-Q278 PolarHBondContact OD1-N 2.94Å; Q278-R355 PolarHBondContact O-NH2 2.85Å
279S91.7Very high89Confident0 Ų031.8 Ų31.80%016%0.159CC..EExtended strand (participates in β ladder)trans-123151.217153.90000112.6H242 I244 Q329 G352 R355H242-S279 PolarHBondContact O-N 3.23Å; I244-S279 WeakPolarHBondContact CD1-O 3.48Å; I244-S279 PolarHBondContact N-O 3.34Å; S279-Q329 VanDerWaalsContact CA-O 3.26Å; S279-Q329 WeakPolarHBondContact CA-O 3.46Å; S279-G352 WeakPolarHBondContact OG-CA 3.06Å; S279-G352 PolarHBondContact OG-O 3.47Å; S279-R355 PolarHBondContact OG-NH1 2.87Å
280L94.7Very high88.5Confident0 Ų033.9 Ų33.90%017%0.171CC..EExtended strand (participates in β ladder)trans-113.4124.6168.7172.262.2000111I244 I267 I270 L271 L274 I282 Q329 W330 R331I244-L280 HydrophobicContact CB-CD1 4.04Å; I244-L280 HydrophobicContact CG2-CD1 3.8Å; I244-L280 CarbonylContact O-C 3.6Å; I244-L280 WeakPolarHBondContact O-CA 3.41Å; I267-L280 HydrophobicContact CG2-CD2 4.08Å; I270-L280 HydrophobicContact CB-CD2 4.36Å; I270-L280 HydrophobicContact CD1-CD1 4.32Å; I270-L280 HydrophobicContact CG2-CD1 4.04Å; I270-L280 HydrophobicContact CG2-CD2 4Å; I270-L280 HydrophobicContact CG2-CG 4.43Å; L271-L280 HydrophobicContact CD2-CB 4.5Å; L271-L280 HydrophobicContact CD2-CD2 3.72Å; L271-L280 HydrophobicContact CG-CD2 3.83Å; L274-L280 HydrophobicContact CD1-CB 3.76Å; L280-I282 HydrophobicContact CD1-CG1 4.42Å; L280-I282 HydrophobicContact CD2-CD1 4.3Å; L280-I282 HydrophobicContact CD2-CG1 4.06Å; L280-I282 HydrophobicContact CG-CG1 4.02Å; L280-Q329 PolarHBondContact N-O 3.08Å; L280-W330 HydrophobicContact CB-CB 4.04Å; L280-W330 HydrophobicContact CG-CB 4.47Å; L280-W330 CarbonylContact O-C 3.57Å; L280-W330 WeakPolarHBondContact O-CA 3.45Å; L280-R331 PolarHBondContact O-N 3.37Å
281L95.5Very high87.8Confident2 Ų242.9 Ų42.91%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-105.1110.6169.9-55.4176.6000108.2V243 I244 L245 Y246 I283 R331 M348 W351V243-L281 HydrophobicContact CG1-CD1 3.6Å; V243-L281 HydrophobicContact CG1-CG 3.91Å; I244-L281 PolarHBondContact O-N 2.84Å; L245-L281 HydrophobicContact CG-CD1 4.24Å; Y246-L281 PolarHBondContact N-O 2.86Å; L281-I283 HydrophobicContact CB-CD1 3.95Å; L281-I283 HydrophobicContact CB-CG1 3.91Å; L281-R331 HydrophobicContact CD2-CB 4.43Å; L281-M348 HydrophobicContact CD1-CB 4.15Å; L281-M348 WeakPolarHBondContact CD1-O 3.02Å; L281-W351 HydrophobicContact CD2-CE3 3.39Å; L281-W351 HydrophobicContact CD2-CZ3 3.4Å
282I95.6Very high87.4Confident1 Ų145.9 Ų45.91%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-89.2106.9170.2-57.2165000106.5Y246 I248 I267 L280 L304 R331 I332 W333Y246-I282 HydrophobicContact CD1-CG2 4.5Å; Y246-I282 CarbonylContact O-C 3.3Å; Y246-I282 WeakPolarHBondContact O-CA 3.34Å; I248-I282 HydrophobicContact CD1-CG2 3.79Å; I267-I282 HydrophobicContact CD1-CD1 4.13Å; I267-I282 HydrophobicContact CD1-CG1 4.39Å; I267-I282 HydrophobicContact CD1-CG2 4.35Å; I267-I282 HydrophobicContact CG2-CD1 3.85Å; L280-I282 HydrophobicContact CD1-CG1 4.42Å; L280-I282 HydrophobicContact CD2-CD1 4.3Å; L280-I282 HydrophobicContact CD2-CG1 4.06Å; L280-I282 HydrophobicContact CG-CG1 4.02Å; I282-L304 HydrophobicContact CG2-CD1 3.82Å; I282-R331 PolarHBondContact N-O 3.4Å; I282-I332 HydrophobicContact CB-CG1 3.95Å; I282-I332 HydrophobicContact CD1-CG1 3.99Å; I282-I332 HydrophobicContact CG2-CG1 4.35Å; I282-I332 CarbonylContact O-C 3.59Å; I282-I332 VanDerWaalsContact O-CA 3.26Å; I282-I332 WeakPolarHBondContact O-CA 3.13Å; I282-W333 PolarHBondContact O-N 3.13Å
283I95.6Very high87.6Confident0 Ų050.8 Ų50.80%025%0.245CC..EExtended strand (participates in β ladder)trans-109.8111.7-170-59.8170.5000108.5L245 Y246 I247 I248 L281 A285 W333 T335 L345 M348L245-I283 HydrophobicContact CB-CD1 4.13Å; L245-I283 HydrophobicContact CD2-CD1 3.76Å; L245-I283 HydrophobicContact CG-CD1 3.99Å; Y246-I283 PolarHBondContact O-N 3.45Å; I247-I283 CarbonylContact C-O 3.49Å; I247-I283 WeakPolarHBondContact CA-O 3.12Å; I247-I283 HydrophobicContact CD1-CB 3.69Å; I247-I283 HydrophobicContact CD1-CD1 3.73Å; I247-I283 HydrophobicContact CD1-CG1 4.19Å; I247-I283 HydrophobicContact CD1-CG2 4.15Å; I248-I283 PolarHBondContact N-O 2.75Å; L281-I283 HydrophobicContact CB-CD1 3.95Å; L281-I283 HydrophobicContact CB-CG1 3.91Å; I283-A285 PolarHBondContact O-N 3.19Å; I283-W333 WeakPolarHBondContact CA-O 3.33Å; I283-T335 HydrophobicContact CG2-CG2 3.66Å; I283-L345 HydrophobicContact CD1-CD1 4.39Å; I283-M348 HydrophobicContact CD1-SD 3.69Å; I283-M348 HydrophobicContact CG1-SD 3.88Å; I283-M348 HydrophobicContact CG2-CE 4.14Å; I283-M348 HydrophobicContact CG2-SD 3.92Å
284G94.5Very high87.8Confident0 Ų051 Ų510%025%0.246CC..EExtended strand (participates in β ladder)trans-75.2110.8163.300000109.8I248 W333 L334 T335I248-G284 CarbonylContact O-C 3.58Å; I248-G284 WeakPolarHBondContact O-CA 3.28Å; G284-W333 PolarHBondContact N-O 3.47Å; G284-L334 CarbonylContact O-C 3.56Å; G284-L334 WeakPolarHBondContact O-CA 3.43Å; G284-T335 PolarHBondContact O-N 3.46Å; G284-T335 VanDerWaalsContact O-O 3.11Å
285A93.2Very high87.8Confident0 Ų051.5 Ų51.50%025%0.249CC..EExtended strand (participates in β ladder)trans-108.2123.4179.300000109.8I135 L139 I247 I248 D249 I250 I283 T335 Y342I135-A285 HydrophobicContact CG2-CB 3.81Å; L139-A285 HydrophobicContact CD1-CB 4.3Å; I247-A285 HydrophobicContact CG2-CB 3.77Å; I248-A285 PolarHBondContact O-N 2.98Å; D249-A285 WeakPolarHBondContact CA-O 3.46Å; I250-A285 VanDerWaalsContact CG1-C 3.49Å; I250-A285 WeakPolarHBondContact CG1-O 3.43Å; I250-A285 PolarHBondContact N-O 3.16Å; I250-A285 VanDerWaalsContact N-O 3.07Å; I283-A285 PolarHBondContact O-N 3.19Å; A285-T335 HydrophobicContact CB-CG2 4.26Å; A285-Y342 HydrophobicContact CB-CE1 4.02Å
286G90.8Very high87.9Confident0 Ų050.4 Ų50.40%025%0.247CC..EExtended strand (participates in β ladder)trans-124172.717600000112.3T335 S336 S337G286-T335 PolarHBondContact N-O 2.98Å; G286-S336 CarbonylContact O-C 3.43Å; G286-S336 VanDerWaalsContact O-CA 3.3Å; G286-S336 WeakPolarHBondContact O-CA 3.46Å; G286-S337 PolarHBondContact O-N 3.42Å
287N84.7Confident88.2Confident7 Ų746.2 Ų46.24%0.03722%0.221CC..EExtended strand (participates in β ladder)trans-120.8103.5175.5-171.79.4000111.7I135 L138 Y289 D290I135-N287 HydrophobicContact CD1-CB 4.49Å; L138-N287 HydrophobicContact CD1-CB 4.32Å; N287-Y289 VanDerWaalsContact C-N 3.35Å; N287-Y289 WeakPolarHBondContact OD1-CB 3.41Å; N287-Y289 PolarHBondContact OD1-N 3.32Å; N287-D290 PolarHBondContact ND2-OD2 3.06Å
288K80.3Confident88.1Confident117 Ų11741.6 Ų41.651%0.50920%0.196SC..THydrogen-bonded Turntrans-80.4-17.9175.3-74.3176-175.7155.30112.8D290 K291 S336 S337K288-D290 VanDerWaalsContact C-N 3.33Å; K288-D290 PolarHBondContact O-N 2.91Å; K288-K291 PolarHBondContact O-N 3.42Å; K288-K291 VanDerWaalsContact O-N 3.1Å; K288-S336 WeakPolarHBondContact CD-OG 3.32Å; K288-S336 WeakPolarHBondContact CE-OG 3.38Å; K288-S336 PolarHBondContact NZ-OG 2.99Å; K288-S337 WeakPolarHBondContact CB-O 3.08Å; K288-S337 PolarHBondContact N-O 3.23Å
289Y79.4Confident88Confident159 Ų15944.8 Ų44.862%0.62421%0.213SC*.THydrogen-bonded Turntrans-61.3-43.2178.4-177.3-104000111.7N287 K291 S337 N338N287-Y289 VanDerWaalsContact C-N 3.35Å; N287-Y289 WeakPolarHBondContact OD1-CB 3.41Å; N287-Y289 PolarHBondContact OD1-N 3.32Å; Y289-K291 PolarHBondContact O-N 3.34Å; Y289-K291 VanDerWaalsContact O-N 3.14Å; Y289-S337 PolarHBondContact N-O 3.42Å; Y289-N338 WeakPolarHBondContact CD2-O 3.36Å
290D76.9Confident88Confident81 Ų8144.8 Ų44.843%0.43321%0.213SC..THydrogen-bonded Turntrans-77.87.4178-67.1-17.7000112.9N287 K288 E292N287-D290 PolarHBondContact ND2-OD2 3.06Å; K288-D290 VanDerWaalsContact C-N 3.33Å; K288-D290 PolarHBondContact O-N 2.91Å; D290-E292 HydrophobicContact CB-CG 4.16Å; D290-E292 PolarHBondContact O-N 2.79Å
291K78.3Confident87.7Confident188 Ų18844.8 Ų44.882%0.81721%0.213SC*.THydrogen-bonded Turntrans57.721.7-175.9-55176.4-179173.10113.7K288 Y289 E293K288-K291 PolarHBondContact O-N 3.42Å; K288-K291 VanDerWaalsContact O-N 3.1Å; Y289-K291 PolarHBondContact O-N 3.34Å; Y289-K291 VanDerWaalsContact O-N 3.14Å; K291-E293 PolarHBondContact O-N 2.8Å
292E81.5Confident87.2Confident67 Ų6745.7 Ų45.731%0.31322%0.22SC..PPolyproline II helixtrans-71.7130.7174.9-66.4-169.3150.500110.3T251 D290 C294T251-E292 WeakPolarHBondContact CB-OE2 3.5Å; T251-E292 HydrophobicContact CG2-CB 4.23Å; T251-E292 WeakPolarHBondContact CG2-OE2 3.4Å; D290-E292 HydrophobicContact CB-CG 4.16Å; D290-E292 PolarHBondContact O-N 2.79Å; E292-C294 PolarHBondContact O-N 2.95Å
293E88.8Confident86.9Confident130 Ų13048.7 Ų48.761%0.60723%0.233SC*.PPolyproline II helixtrans-68.3130174.3-68.3-168.8171.200109.7K252 K291K252-E293 HydrophobicContact CB-CB 4.47Å; K252-E293 WeakPolarHBondContact CB-O 3.27Å; K252-E293 HydrophobicContact CD-CB 3.74Å; K252-E293 WeakPolarHBondContact CD-OE2 3.48Å; K252-E293 WeakPolarHBondContact CE-OE2 3.3Å; K252-E293 HydrophobicContact CG-CB 4.15Å; K252-E293 WeakPolarHBondContact CG-O 2.92Å; K252-E293 PolarHBondContact N-O 3.48Å; K252-E293 IonicContact NZ-OE2 2.75Å; K252-E293 PolarHBondContact NZ-OE2 3.29Å; K291-E293 PolarHBondContact O-N 2.8Å
294C89.4Confident86.5Confident36 Ų3648.7 Ų48.724%0.24323%0.233CC..BIsolated β-bridgetrans-102.6148175.7-60.60000110.4I250 E292I250-C294 HydrophobicContact CD1-CB 3.91Å; I250-C294 HydrophobicContact CG1-CB 4.11Å; I250-C294 WeakPolarHBondContact O-CA 3.26Å; E292-C294 PolarHBondContact O-N 2.95Å
295I89.2Confident85.8Confident14 Ų1450.3 Ų50.37%0.07224%0.241CC..PPolyproline II helixtrans-68155.8170.463.4156.7000111.4I250 K252 I255 D299 L300I250-I295 HydrophobicContact CB-CD1 4.43Å; I250-I295 HydrophobicContact CB-CG1 3.67Å; I250-I295 HydrophobicContact CG2-CD1 4.22Å; I250-I295 HydrophobicContact CG2-CG1 3.95Å; I250-I295 PolarHBondContact O-N 3.37Å; K252-I295 HydrophobicContact CG-CG2 4.07Å; I255-I295 HydrophobicContact CB-CG2 4.38Å; I255-I295 HydrophobicContact CD1-CD1 3.46Å; I255-I295 VanDerWaalsContact CD1-CD1 3.46Å; I255-I295 HydrophobicContact CD1-CG1 3.98Å; I255-I295 HydrophobicContact CG1-CD1 3.9Å; I255-I295 HydrophobicContact CG1-CG1 4.37Å; I255-I295 HydrophobicContact CG1-CG2 4.01Å; I255-I295 HydrophobicContact CG2-CG2 4.09Å; I295-D299 HydrophobicContact CB-CB 3.94Å; I295-D299 HydrophobicContact CD1-CB 4.17Å; I295-L300 HydrophobicContact CD1-CB 3.83Å; I295-L300 HydrophobicContact CD1-CD1 4.33Å
296S87.6Confident84.9Confident47 Ų4754.1 Ų54.133%0.32927%0.266SS..PPolyproline II helixtrans-80165.5177.476.50000112I298 D299 L300S296-I298 PolarHBondContact O-N 3.18Å; S296-I298 PolarHBondContact OG-N 3.06Å; S296-D299 VanDerWaalsContact CB-OD2 3.27Å; S296-D299 WeakPolarHBondContact CB-OD2 3.47Å; S296-D299 PolarHBondContact N-OD2 3.49Å; S296-D299 PolarHBondContact O-N 3.39Å; S296-D299 VanDerWaalsContact O-N 3.13Å; S296-D299 PolarHBondContact OG-N 3.02Å; S296-D299 PolarHBondContact OG-OD2 3.25Å; S296-L300 PolarHBondContact O-N 3.21Å
297L88.5Confident84.2Confident8 Ų854.7 Ų54.74%0.04227%0.269CS..Hα-helixtrans-56.9-36.2177.2174.569.5000110.5T52 W54 M55 L300 V301 I332 L334T52-L297 WeakPolarHBondContact O-CD2 3.43Å; W54-L297 VanDerWaalsContact C-CD2 3.44Å; M55-L297 HydrophobicContact CB-CD2 4.32Å; L297-L300 PolarHBondContact O-N 2.8Å; L297-V301 HydrophobicContact CD1-CG2 4.37Å; L297-V301 HydrophobicContact CG-CG2 4.41Å; L297-V301 WeakPolarHBondContact O-CB 3.47Å; L297-V301 VanDerWaalsContact O-CG2 3.23Å; L297-V301 WeakPolarHBondContact O-CG2 3.47Å; L297-V301 PolarHBondContact O-N 3.17Å; L297-I332 HydrophobicContact CD1-CB 4.43Å; L297-I332 HydrophobicContact CD1-CG2 3.74Å; L297-L334 HydrophobicContact CB-CD1 3.94Å; L297-L334 HydrophobicContact CB-CG 4.01Å; L297-L334 HydrophobicContact CD1-CD2 4.47Å; L297-L334 HydrophobicContact CD1-CG 4.14Å
298I84.3Confident83.6Confident11 Ų1154.8 Ų54.86%0.05627%0.27CS..Hα-helixtrans-73.1-37.9-176-56.8152.4000110.3K50 I71 L75 S296 L300 V301 S302K50-I298 HydrophobicContact CG-CD1 4.38Å; I71-I298 HydrophobicContact CB-CG2 4.34Å; I71-I298 HydrophobicContact CD1-CG2 4Å; I71-I298 HydrophobicContact CG1-CG2 3.79Å; I71-I298 HydrophobicContact CG2-CG2 3.76Å; L75-I298 HydrophobicContact CD1-CB 3.92Å; L75-I298 HydrophobicContact CD1-CD1 3.97Å; L75-I298 HydrophobicContact CD1-CG1 4.45Å; L75-I298 HydrophobicContact CD1-CG2 3.29Å; L75-I298 HydrophobicContact CD2-CD1 3.75Å; L75-I298 HydrophobicContact CD2-CG2 4.11Å; L75-I298 HydrophobicContact CG-CD1 4.44Å; L75-I298 HydrophobicContact CG-CG2 3.77Å; S296-I298 PolarHBondContact O-N 3.18Å; S296-I298 PolarHBondContact OG-N 3.06Å; I298-L300 VanDerWaalsContact C-N 3.33Å; I298-V301 PolarHBondContact O-N 3.33Å; I298-S302 WeakPolarHBondContact O-CB 3.4Å; I298-S302 PolarHBondContact O-N 3.33Å
299D87.7Confident82.9Confident72 Ų7249.3 Ų49.339%0.38525%0.246SC..Hα-helixtrans-62.7-43.2174.1-56.5-43.1000110.3I295 S296 S302 K303I295-D299 HydrophobicContact CB-CB 3.94Å; I295-D299 HydrophobicContact CD1-CB 4.17Å; S296-D299 VanDerWaalsContact CB-OD2 3.27Å; S296-D299 WeakPolarHBondContact CB-OD2 3.47Å; S296-D299 PolarHBondContact N-OD2 3.49Å; S296-D299 PolarHBondContact O-N 3.39Å; S296-D299 VanDerWaalsContact O-N 3.13Å; S296-D299 PolarHBondContact OG-N 3.02Å; S296-D299 PolarHBondContact OG-OD2 3.25Å; D299-S302 WeakPolarHBondContact O-CB 2.92Å; D299-S302 PolarHBondContact O-N 2.91Å; D299-K303 WeakPolarHBondContact O-CG 3.12Å; D299-K303 PolarHBondContact O-N 3.46Å
300L91.4Very high81.9Confident0 Ų047.1 Ų47.10%024%0.24CC..Hα-helixtrans-63.2-47.2177-179.360.4000111.5I248 I250 W260 I295 S296 L297 I298 S302 K303 L304 I332 L334I248-L300 HydrophobicContact CD1-CD1 4.2Å; I250-L300 HydrophobicContact CG2-CD2 4.33Å; W260-L300 HydrophobicContact CH2-CD1 3.86Å; W260-L300 HydrophobicContact CZ3-CD1 4.09Å; I295-L300 HydrophobicContact CD1-CB 3.83Å; I295-L300 HydrophobicContact CD1-CD1 4.33Å; S296-L300 PolarHBondContact O-N 3.21Å; L297-L300 PolarHBondContact O-N 2.8Å; I298-L300 VanDerWaalsContact C-N 3.33Å; L300-S302 VanDerWaalsContact C-N 3.25Å; L300-S302 PolarHBondContact O-N 2.86Å; L300-K303 PolarHBondContact O-N 3.27Å; L300-L304 HydrophobicContact CD1-CD1 4.02Å; L300-L304 HydrophobicContact CD1-CG 4.34Å; L300-L304 HydrophobicContact CG-CD1 4.03Å; L300-L304 WeakPolarHBondContact O-CG 3.12Å; L300-L304 PolarHBondContact O-N 2.91Å; L300-I332 HydrophobicContact CD2-CG2 3.68Å; L300-I332 HydrophobicContact CG-CG2 4.22Å; L300-L334 HydrophobicContact CB-CD2 4.4Å; L300-L334 HydrophobicContact CD2-CD2 3.53Å
301V89Confident80.4Confident0 Ų047.6 Ų47.60%024%0.242CC..Hα-helixtrans-60.8-36.3175.8168.20000111.3M55 I71 L297 I298 L304 Q305 L308 F309 I332M55-V301 HydrophobicContact CB-CG2 4.23Å; M55-V301 HydrophobicContact SD-CB 4.5Å; M55-V301 HydrophobicContact SD-CG1 3.84Å; M55-V301 HydrophobicContact SD-CG2 3.94Å; I71-V301 HydrophobicContact CB-CG1 4.42Å; I71-V301 HydrophobicContact CD1-CB 4.3Å; I71-V301 HydrophobicContact CD1-CG1 3.65Å; I71-V301 HydrophobicContact CG2-CG1 4.03Å; L297-V301 HydrophobicContact CD1-CG2 4.37Å; L297-V301 HydrophobicContact CG-CG2 4.41Å; L297-V301 WeakPolarHBondContact O-CB 3.47Å; L297-V301 VanDerWaalsContact O-CG2 3.23Å; L297-V301 WeakPolarHBondContact O-CG2 3.47Å; L297-V301 PolarHBondContact O-N 3.17Å; I298-V301 PolarHBondContact O-N 3.33Å; V301-L304 CarbonylContact O-C 3.47Å; V301-L304 PolarHBondContact O-N 2.79Å; V301-Q305 WeakPolarHBondContact O-CA 3.37Å; V301-Q305 PolarHBondContact O-N 3.02Å; V301-L308 HydrophobicContact CB-CD1 4.3Å; V301-L308 HydrophobicContact CG1-CD1 3.72Å; V301-L308 HydrophobicContact CG2-CD1 4.43Å; V301-F309 HydrophobicContact CG1-CE2 4.42Å; V301-I332 HydrophobicContact CG2-CD1 3.85Å; V301-I332 HydrophobicContact CG2-CG2 4.33Å
302S84.7Confident78.4Confident21 Ų2146.2 Ų46.215%0.14724%0.237CC..Hα-helixtrans-64.5-45.2175.1-166.90000111.3Q72 I298 D299 L300 L304 Q305Q72-S302 PolarHBondContact OE1-OG 3.33Å; I298-S302 WeakPolarHBondContact O-CB 3.4Å; I298-S302 PolarHBondContact O-N 3.33Å; D299-S302 WeakPolarHBondContact O-CB 2.92Å; D299-S302 PolarHBondContact O-N 2.91Å; L300-S302 VanDerWaalsContact C-N 3.25Å; L300-S302 PolarHBondContact O-N 2.86Å; S302-L304 VanDerWaalsContact C-N 3.25Å; S302-L304 PolarHBondContact O-N 2.79Å; S302-Q305 WeakPolarHBondContact O-CB 3.21Å; S302-Q305 PolarHBondContact O-N 3.18Å; S302-Q305 VanDerWaalsContact O-N 3.11Å
303K88.2Confident76.2Confident65 Ų6548.5 Ų48.528%0.28326%0.255SS..Hα-helixtrans-65.5-29.1176-66.2-165.2-178.1-125.90112.7I255 D256 W260 D299 L300I255-K303 HydrophobicContact CG1-CD 4.25Å; D256-K303 IonicContact OD1-NZ 2.68Å; D256-K303 PolarHBondContact OD1-NZ 3.35Å; W260-K303 HydrophobicContact CD2-CB 3.93Å; W260-K303 HydrophobicContact CD2-CD 3.88Å; W260-K303 HydrophobicContact CD2-CG 4.46Å; W260-K303 HydrophobicContact CE3-CB 3.65Å; W260-K303 HydrophobicContact CE3-CD 4.32Å; W260-K303 HydrophobicContact CH2-CB 3.95Å; W260-K303 HydrophobicContact CH2-CD 3.73Å; W260-K303 HydrophobicContact CH2-CG 4.47Å; W260-K303 HydrophobicContact CZ2-CB 4.24Å; W260-K303 HydrophobicContact CZ2-CD 3.24Å; W260-K303 HydrophobicContact CZ2-CG 4.36Å; W260-K303 HydrophobicContact CZ3-CB 3.64Å; W260-K303 HydrophobicContact CZ3-CD 4.24Å; D299-K303 WeakPolarHBondContact O-CG 3.12Å; D299-K303 PolarHBondContact O-N 3.46Å; L300-K303 PolarHBondContact O-N 3.27Å
304L88.3Confident73.7Confident0 Ų046.4 Ų46.40%024%0.244CC..THydrogen-bonded Turntrans-91.28.2175.5-61.9174.1000113.5I248 W260 I263 I267 I282 L300 V301 S302 C306 I307 L308 I332I248-L304 HydrophobicContact CD1-CD1 4.5Å; W260-L304 HydrophobicContact CE3-CD2 4.32Å; W260-L304 HydrophobicContact CZ3-CD2 4.03Å; W260-L304 HydrophobicContact CZ3-CG 4.36Å; I263-L304 HydrophobicContact CG2-CD2 4.08Å; I267-L304 HydrophobicContact CD1-CD2 3.79Å; I282-L304 HydrophobicContact CG2-CD1 3.82Å; L300-L304 HydrophobicContact CD1-CD1 4.02Å; L300-L304 HydrophobicContact CD1-CG 4.34Å; L300-L304 HydrophobicContact CG-CD1 4.03Å; L300-L304 WeakPolarHBondContact O-CG 3.12Å; L300-L304 PolarHBondContact O-N 2.91Å; V301-L304 CarbonylContact O-C 3.47Å; V301-L304 PolarHBondContact O-N 2.79Å; S302-L304 VanDerWaalsContact C-N 3.25Å; S302-L304 PolarHBondContact O-N 2.79Å; L304-C306 PolarHBondContact O-N 3.01Å; L304-C306 VanDerWaalsContact O-N 3.1Å; L304-I307 HydrophobicContact CB-CD1 4.31Å; L304-I307 HydrophobicContact CD2-CD1 3.76Å; L304-I307 WeakPolarHBondContact O-CB 3.49Å; L304-I307 PolarHBondContact O-N 2.66Å; L304-L308 HydrophobicContact CB-CD1 3.97Å; L304-L308 HydrophobicContact CB-CG 4.35Å; L304-L308 WeakPolarHBondContact O-CG 3.44Å; L304-L308 PolarHBondContact O-N 3Å; L304-I332 HydrophobicContact CD1-CD1 3.92Å; L304-I332 HydrophobicContact CD1-CG1 4.36Å
305Q79.3Confident71.3Confident33 Ų3352 Ų5215%0.15427%0.272CS..Hα-helixtrans-56.9-35.5-169.1-170.7-175.7-23.700112.9N69 N70 V301 S302 I307 L308 F309N69-Q305 PolarHBondContact O-NE2 3.3Å; N70-Q305 VanDerWaalsContact CA-NE2 3.32Å; V301-Q305 WeakPolarHBondContact O-CA 3.37Å; V301-Q305 PolarHBondContact O-N 3.02Å; S302-Q305 WeakPolarHBondContact O-CB 3.21Å; S302-Q305 PolarHBondContact O-N 3.18Å; S302-Q305 VanDerWaalsContact O-N 3.11Å; Q305-I307 PolarHBondContact O-N 2.9Å; Q305-L308 PolarHBondContact O-N 3.2Å; Q305-L308 VanDerWaalsContact O-N 3.09Å; Q305-F309 HydrophobicContact CB-CD2 4.29Å; Q305-F309 HydrophobicContact CG-CB 4.08Å; Q305-F309 HydrophobicContact CG-CD2 3.38Å; Q305-F309 HydrophobicContact CG-CE2 4.06Å; Q305-F309 HydrophobicContact CG-CG 4.02Å; Q305-F309 PolarHBondContact O-N 3.42Å
306C74.7Confident69.2Low80 Ų8056.2 Ų56.254%0.54130%0.302SS..Hα-helixtrans-59.6-30.6178.2-60.20000113.4T264 L304 F314T264-C306 HydrophobicContact CG2-CB 4.4Å; L304-C306 PolarHBondContact O-N 3.01Å; L304-C306 VanDerWaalsContact O-N 3.1Å; C306-F314 HydrophobicContact CB-CE2 4.48Å
307I76.5Confident67.1Low12 Ų1256.1 Ų56.16%0.06230%0.298CS..Hα-helixtrans-78-39.8177.1-51172.4000110T264 I267 I268 L271 L304 Q305T264-I307 HydrophobicContact CG2-CD1 4.16Å; T264-I307 HydrophobicContact CG2-CG1 3.62Å; I267-I307 HydrophobicContact CB-CD1 3.81Å; I267-I307 HydrophobicContact CD1-CD1 3.83Å; I267-I307 HydrophobicContact CG1-CD1 4.44Å; I267-I307 HydrophobicContact CG2-CD1 3.7Å; I267-I307 HydrophobicContact CG2-CG2 3.99Å; I268-I307 HydrophobicContact CG1-CG1 4.39Å; I268-I307 HydrophobicContact CG1-CG2 4.43Å; L271-I307 HydrophobicContact CD1-CG2 3.73Å; L304-I307 HydrophobicContact CB-CD1 4.31Å; L304-I307 HydrophobicContact CD2-CD1 3.76Å; L304-I307 WeakPolarHBondContact O-CB 3.49Å; L304-I307 PolarHBondContact O-N 2.66Å; Q305-I307 PolarHBondContact O-N 2.9Å
308L72.3Confident64.8Low9 Ų959.7 Ų59.75%0.04731%0.314CS..Hα-helixtrans-90.3-40.1-163.6-62.5179.4000112.9L60 K64 V301 L304 Q305 W330 I332L60-L308 HydrophobicContact CD1-CB 3.66Å; L60-L308 HydrophobicContact CD1-CD1 4.47Å; L60-L308 HydrophobicContact CD1-CD2 4Å; L60-L308 HydrophobicContact CD1-CG 4.24Å; K64-L308 PolarHBondContact NZ-O 2.81Å; V301-L308 HydrophobicContact CB-CD1 4.3Å; V301-L308 HydrophobicContact CG1-CD1 3.72Å; V301-L308 HydrophobicContact CG2-CD1 4.43Å; L304-L308 HydrophobicContact CB-CD1 3.97Å; L304-L308 HydrophobicContact CB-CG 4.35Å; L304-L308 WeakPolarHBondContact O-CG 3.44Å; L304-L308 PolarHBondContact O-N 3Å; Q305-L308 PolarHBondContact O-N 3.2Å; Q305-L308 VanDerWaalsContact O-N 3.09Å; L308-W330 HydrophobicContact CD2-CE3 4.12Å; L308-W330 HydrophobicContact CD2-CH2 3.42Å; L308-W330 VanDerWaalsContact CD2-CH2 3.42Å; L308-W330 HydrophobicContact CD2-CZ2 3.75Å; L308-W330 HydrophobicContact CD2-CZ3 3.57Å; L308-I332 HydrophobicContact CD1-CD1 3.41Å; L308-I332 VanDerWaalsContact CD1-CD1 3.41Å; L308-I332 HydrophobicContact CD2-CD1 3.9Å; L308-I332 HydrophobicContact CG-CD1 4.22Å
309F65.9Low62.8Low2 Ų267.9 Ų67.91%0.00935%0.352CS..SBendtrans-109105.9175.9-59.9-94.7000105.9L60 K64 I68 N69 V301 Q305 N311L60-F309 HydrophobicContact CD2-CE1 4.26Å; L60-F309 HydrophobicContact CD2-CE2 3.82Å; L60-F309 HydrophobicContact CD2-CZ 3.55Å; K64-F309 HydrophobicContact CD-CD1 4.44Å; K64-F309 HydrophobicContact CG-CD1 4.01Å; K64-F309 HydrophobicContact CG-CE1 4.16Å; I68-F309 WeakPolarHBondContact O-CE1 3.48Å; N69-F309 WeakPolarHBondContact O-CD1 3.43Å; N69-F309 WeakPolarHBondContact O-CG 3.33Å; V301-F309 HydrophobicContact CG1-CE2 4.42Å; Q305-F309 HydrophobicContact CB-CD2 4.29Å; Q305-F309 HydrophobicContact CG-CB 4.08Å; Q305-F309 HydrophobicContact CG-CD2 3.38Å; Q305-F309 HydrophobicContact CG-CE2 4.06Å; Q305-F309 HydrophobicContact CG-CG 4.02Å; Q305-F309 PolarHBondContact O-N 3.42Å; F309-N311 PolarHBondContact O-N 3.37Å
310K57.5Low60.8Low113 Ų11367.8 Ų67.849%0.49135%0.35SS..  trans-61.472.8170.6-67-176.2176.5-175.20109.6
311N45.9Very low58.7Low92 Ų9270 Ų7049%0.49236%0.361SS..  trans-104.6106.2169.6-81.51.6000106.7F309 T313F309-N311 PolarHBondContact O-N 3.37Å; N311-T313 PolarHBondContact O-N 2.81Å
312F35Very low57Low159 Ų15975.1 Ų75.170%0.69739%0.387SS*.  trans-62.1111.7178.7-67-98.2000110.5
313T36.2Very low55.5Low114 Ų11475.8 Ų75.870%0.69939%0.388SS*.  trans-163.373.1146.449.60000107.3N311N311-T313 PolarHBondContact O-N 2.81Å
314F37.1Very low53.8Low86 Ų8680.6 Ų80.638%0.37741%0.409SS..  trans-118.780.4161-91.4-80.7000106.4C306 S316 L317 E318C306-F314 HydrophobicContact CB-CE2 4.48Å; F314-S316 PolarHBondContact O-N 3.18Å; F314-L317 PolarHBondContact O-N 3.19Å; F314-E318 HydrophobicContact CB-CG 4.22Å; F314-E318 PolarHBondContact N-OE1 3.27Å; F314-E318 VanDerWaalsContact O-CG 3.24Å; F314-E318 WeakPolarHBondContact O-CG 3.45Å
315D39.1Very low52.2Low155 Ų15583 Ų8383%0.82942%0.422SS*.THydrogen-bonded Turntrans-61.719.2-174.3-76.1-28.2000115.5
316S44.5Very low51.3Low101 Ų10185 Ų8571%0.70644%0.438SS*.THydrogen-bonded Turntrans-154.5-8.9171.251.60000117F314F314-S316 PolarHBondContact O-N 3.18Å
317L42.7Very low50.7Low45 Ų4586.6 Ų86.624%0.23644%0.441CS..THydrogen-bonded Turntrans-120.58-176.2-81.2157.1000113.8I225 F314 E319 Q320I225-L317 HydrophobicContact CG2-CD2 4.15Å; F314-L317 PolarHBondContact O-N 3.19Å; L317-E319 PolarHBondContact O-N 3.37Å; L317-Q320 PolarHBondContact O-N 3.23Å
318E40.3Very low50.5Low84 Ų8486.2 Ų86.239%0.39344%0.44SS..THydrogen-bonded Turntrans-60.7-33.8-165.5-100.8171.5-166.600116.1F314 Q320F314-E318 HydrophobicContact CB-CG 4.22Å; F314-E318 PolarHBondContact N-OE1 3.27Å; F314-E318 VanDerWaalsContact O-CG 3.24Å; F314-E318 WeakPolarHBondContact O-CG 3.45Å; E318-Q320 PolarHBondContact O-N 3.09Å
319E43.4Very low51Low182 Ų18287.8 Ų87.885%0.8545%0.446SS*.THydrogen-bonded Turntrans-73.9-25.5-175.4-70.1-171.4164.400113.7L317L317-E319 PolarHBondContact O-N 3.37Å
320Q44.4Very low52.1Low70 Ų7088.8 Ų88.833%0.32745%0.45SS..THydrogen-bonded Turntrans-92.6-24.6-172.9-65.4-175.86.300114.1L317 E318L317-Q320 PolarHBondContact O-N 3.23Å; E318-Q320 PolarHBondContact O-N 3.09Å
321M48.1Very low53.7Low48 Ų4884.3 Ų84.324%0.23643%0.43CS..  trans-97.57.9-172.7-65.5-162.3-175.400114.5K265 I268 L323K265-M321 HydrophobicContact CD-CE 4.47Å; K265-M321 HydrophobicContact CG-CE 3.75Å; I268-M321 HydrophobicContact CD1-CB 4.42Å; I268-M321 HydrophobicContact CD1-SD 4.01Å; I268-M321 HydrophobicContact CG2-CB 4.17Å; I268-M321 HydrophobicContact CG2-CG 4.36Å; M321-L323 PolarHBondContact O-N 2.68Å; M321-L323 VanDerWaalsContact O-N 3.15Å
322I52.9Low55.9Low107 Ų10779.9 Ų79.955%0.54941%0.407SS..SBendtrans-59.7121.2171.8-58175.7000108.3N272 K324N272-I322 PolarHBondContact OD1-O 3.28Å; I322-K324 PolarHBondContact O-N 3.06Å
323L52.5Low58.7Low34 Ų3473.3 Ų73.318%0.17838%0.377CS..  trans-53.8106171.3-73.9170.9000109.3L271 N272 M321 I325L271-L323 HydrophobicContact CB-CD2 3.57Å; L271-L323 HydrophobicContact CD1-CD2 3.78Å; L271-L323 HydrophobicContact CG-CD2 4.3Å; N272-L323 WeakPolarHBondContact OD1-CA 3.27Å; M321-L323 PolarHBondContact O-N 2.68Å; M321-L323 VanDerWaalsContact O-N 3.15Å; L323-I325 PolarHBondContact O-N 3.35Å
324K54.1Low61.3Low166 Ų16669.1 Ų69.172%0.72235%0.35SS*.SBendtrans-64.1-27.8-178-70.1-173.9178177.50111.6N272 I322N272-K324 PolarHBondContact OD1-N 3.05Å; I322-K324 PolarHBondContact O-N 3.06Å
325I54.6Low63.9Low51 Ų5165.2 Ų65.226%0.26233%0.334SS..  trans-124.993.1-175.4-57.3169.9000107.3L274 L323 N327 A328L274-I325 WeakPolarHBondContact O-CD1 2.92Å; L323-I325 PolarHBondContact O-N 3.35Å; I325-N327 HydrophobicContact CG2-CB 4.44Å; I325-N327 PolarHBondContact O-N 3.3Å; I325-N327 VanDerWaalsContact O-N 3.11Å; I325-A328 HydrophobicContact CG2-CB 4.4Å; I325-A328 PolarHBondContact O-N 3.46Å
326P58.9Low66.2Low75 Ų7558.2 Ų58.249%0.48730%0.297SS..THydrogen-bonded Turntrans-61.2-19.5176.724.3-32.7000112.3
327N62.2Low68.3Low114 Ų11453.5 Ų53.561%0.6126%0.264SS*.THydrogen-bonded Turntrans-95.914.9-177.1-56.1-9.5000113.3I325 Q329I325-N327 HydrophobicContact CG2-CB 4.44Å; I325-N327 PolarHBondContact O-N 3.3Å; I325-N327 VanDerWaalsContact O-N 3.11Å; N327-Q329 PolarHBondContact O-N 2.94Å
328A71.9Confident70.2Confident4 Ų455.3 Ų55.33%0.03327%0.274CS..  trans-61.5124.6175.600000108.7L271 L274 I325 W330L271-A328 HydrophobicContact CD2-CB 3.99Å; L274-A328 HydrophobicContact CD1-CB 4.35Å; I325-A328 HydrophobicContact CG2-CB 4.4Å; I325-A328 PolarHBondContact O-N 3.46Å; A328-W330 PolarHBondContact O-N 3.06Å
329Q83.4Confident71.9Confident41 Ų4152.5 Ų52.519%0.19227%0.268CS..EExtended strand (participates in β ladder)trans-83.6113-177.8-63.9-168.218.600109.6S279 L280 N327 N356S279-Q329 VanDerWaalsContact CA-O 3.26Å; S279-Q329 WeakPolarHBondContact CA-O 3.46Å; L280-Q329 PolarHBondContact N-O 3.08Å; N327-Q329 PolarHBondContact O-N 2.94Å; Q329-N356 PolarHBondContact NE2-OD1 3.29Å
330W88.9Confident73.5Confident24 Ų2451.1 Ų51.19%0.09127%0.265CS..EExtended strand (participates in β ladder)trans-136.6156.2-18064.5-92.4000111.7E57 L60 L271 L280 L308 A328 I332E57-W330 HydrophobicContact CB-CZ2 4.15Å; L60-W330 HydrophobicContact CD1-CH2 3.31Å; L60-W330 HydrophobicContact CD1-CZ2 3.61Å; L60-W330 HydrophobicContact CD1-CZ3 4.5Å; L60-W330 HydrophobicContact CG-CH2 4.08Å; L271-W330 HydrophobicContact CD2-CB 3.95Å; L271-W330 HydrophobicContact CD2-CG 4.01Å; L280-W330 HydrophobicContact CB-CB 4.04Å; L280-W330 HydrophobicContact CG-CB 4.47Å; L280-W330 CarbonylContact O-C 3.57Å; L280-W330 WeakPolarHBondContact O-CA 3.45Å; L308-W330 HydrophobicContact CD2-CE3 4.12Å; L308-W330 HydrophobicContact CD2-CH2 3.42Å; L308-W330 VanDerWaalsContact CD2-CH2 3.42Å; L308-W330 HydrophobicContact CD2-CZ2 3.75Å; L308-W330 HydrophobicContact CD2-CZ3 3.57Å; A328-W330 PolarHBondContact O-N 3.06Å; W330-I332 HydrophobicContact CE3-CG1 4.22Å; W330-I332 HydrophobicContact CZ3-CD1 3.95Å; W330-I332 HydrophobicContact CZ3-CG1 3.95Å
331R90.9Very high75.2Confident18 Ų1850.4 Ų50.47%0.06826%0.264CS..EExtended strand (participates in β ladder)trans-147.5141.7174.3-161.1174.4-83.8-175.5-16.3111.1W54 M55 D56 L280 L281 I282 W351W54-R331 HydrophobicContact CB-CG 4.4Å; W54-R331 HydrophobicContact CE3-CG 4.08Å; W54-R331 VanDerWaalsContact CH2-NH2 3.26Å; M55-R331 VanDerWaalsContact O-CG 3.22Å; M55-R331 WeakPolarHBondContact O-CG 3.45Å; D56-R331 HydrophobicContact CB-CG 3.93Å; D56-R331 IonicContact OD2-CZ 3.66Å; D56-R331 IonicContact OD2-NE 2.75Å; D56-R331 IonicContact OD2-NH2 3.93Å; D56-R331 PolarHBondContact OD2-NH2 3.21Å; L280-R331 PolarHBondContact O-N 3.37Å; L281-R331 HydrophobicContact CD2-CB 4.43Å; I282-R331 PolarHBondContact N-O 3.4Å; R331-W351 HydrophobicContact CB-CE3 4.11Å; R331-W351 HydrophobicContact CB-CH2 3.57Å; R331-W351 HydrophobicContact CB-CZ2 4.33Å; R331-W351 HydrophobicContact CB-CZ3 3.45Å; R331-W351 VanDerWaalsContact CB-CZ3 3.45Å; R331-W351 HydrophobicContact CG-CH2 4.45Å; R331-W351 HydrophobicContact CG-CZ3 4.46Å; R331-W351 VanDerWaalsContact CZ-CZ2 3.49Å; R331-W351 VanDerWaalsContact NH1-CD2 3.32Å; R331-W351 VanDerWaalsContact NH2-NE1 3.13Å
332I92.9Very high76.9Confident0 Ų048.1 Ų48.10%025%0.253CS..EExtended strand (participates in β ladder)trans-97.5124171.4-62.6163.9000107.9W54 M55 I282 L297 L300 V301 L304 L308 W330W54-I332 CarbonylContact C-O 3.55Å; W54-I332 WeakPolarHBondContact CA-O 3.13Å; W54-I332 VanDerWaalsContact CB-O 3.26Å; W54-I332 WeakPolarHBondContact CB-O 3.49Å; M55-I332 PolarHBondContact N-O 2.91Å; M55-I332 PolarHBondContact O-N 2.82Å; I282-I332 HydrophobicContact CB-CG1 3.95Å; I282-I332 HydrophobicContact CD1-CG1 3.99Å; I282-I332 HydrophobicContact CG2-CG1 4.35Å; I282-I332 CarbonylContact O-C 3.59Å; I282-I332 VanDerWaalsContact O-CA 3.26Å; I282-I332 WeakPolarHBondContact O-CA 3.13Å; L297-I332 HydrophobicContact CD1-CB 4.43Å; L297-I332 HydrophobicContact CD1-CG2 3.74Å; L300-I332 HydrophobicContact CD2-CG2 3.68Å; L300-I332 HydrophobicContact CG-CG2 4.22Å; V301-I332 HydrophobicContact CG2-CD1 3.85Å; V301-I332 HydrophobicContact CG2-CG2 4.33Å; L304-I332 HydrophobicContact CD1-CD1 3.92Å; L304-I332 HydrophobicContact CD1-CG1 4.36Å; L308-I332 HydrophobicContact CD1-CD1 3.41Å; L308-I332 VanDerWaalsContact CD1-CD1 3.41Å; L308-I332 HydrophobicContact CD2-CD1 3.9Å; L308-I332 HydrophobicContact CG-CD1 4.22Å; W330-I332 HydrophobicContact CE3-CG1 4.22Å; W330-I332 HydrophobicContact CZ3-CD1 3.95Å; W330-I332 HydrophobicContact CZ3-CG1 3.95Å
333W93Very high78Confident21 Ų2146.1 Ų46.18%0.0824%0.243CC..EExtended strand (participates in β ladder)trans-122.6155.3171.5-78.440.7000110.6Y53 W54 I282 I283 G284 N344 N347 M348Y53-W333 CarbonylContact O-C 3.56Å; Y53-W333 WeakPolarHBondContact O-CA 3.42Å; W54-W333 HydrophobicContact CB-CB 4.28Å; W54-W333 HydrophobicContact CB-CD2 3.88Å; W54-W333 HydrophobicContact CB-CG 3.49Å; W54-W333 VanDerWaalsContact CB-CG 3.49Å; W54-W333 AromaticContact CD1-CE2 3.63Å; W54-W333 AromaticContact CD1-CZ2 3.83Å; W54-W333 AromaticContact CD1-NE1 3.74Å; W54-W333 AromaticContact CD2-NE1 3.99Å; W54-W333 AromaticContact CG-CD1 3.88Å; W54-W333 HydrophobicContact CG-CD2 4.27Å; W54-W333 AromaticContact CG-CE2 3.72Å; W54-W333 HydrophobicContact CG-CG 4.36Å; W54-W333 HydrophobicContact CG-CZ2 4.26Å; W54-W333 AromaticContact CG-NE1 3.33Å; W54-W333 VanDerWaalsContact CG-NE1 3.33Å; I282-W333 PolarHBondContact O-N 3.13Å; I283-W333 WeakPolarHBondContact CA-O 3.33Å; G284-W333 PolarHBondContact N-O 3.47Å; W333-N344 HydrophobicContact CE3-CB 4.44Å; W333-N344 HydrophobicContact CZ3-CB 4Å; W333-N347 HydrophobicContact CH2-CB 3.81Å; W333-N347 HydrophobicContact CZ3-CB 3.84Å; W333-M348 HydrophobicContact CB-CE 3.6Å; W333-M348 HydrophobicContact CB-CG 4.34Å; W333-M348 HydrophobicContact CB-SD 4.26Å; W333-M348 HydrophobicContact CD2-CB 4.48Å; W333-M348 HydrophobicContact CD2-CE 4.08Å; W333-M348 HydrophobicContact CD2-CG 3.5Å; W333-M348 VanDerWaalsContact CD2-CG 3.5Å; W333-M348 HydrophobicContact CD2-SD 4.5Å; W333-M348 HydrophobicContact CE3-CB 4.13Å; W333-M348 HydrophobicContact CE3-CE 3.5Å; W333-M348 HydrophobicContact CE3-CG 2.98Å; W333-M348 HydrophobicContact CE3-SD 4.07Å; W333-M348 HydrophobicContact CG-CE 4.17Å; W333-M348 HydrophobicContact CG-CG 4.08Å; W333-M348 HydrophobicContact CH2-CG 4.15Å; W333-M348 HydrophobicContact CZ3-CB 4.09Å; W333-M348 HydrophobicContact CZ3-CE 4.44Å; W333-M348 HydrophobicContact CZ3-CG 3.29Å
334L91.4Very high79.4Confident25 Ų2547.8 Ų47.813%0.13125%0.252CS..EExtended strand (participates in β ladder)trans-104.7143.2159.2-58.7-167.1000111.1Y53 I250 G284 L297 L300Y53-L334 PolarHBondContact O-N 3.02Å; I250-L334 HydrophobicContact CD1-CB 4.45Å; I250-L334 HydrophobicContact CD1-CD1 4.23Å; I250-L334 HydrophobicContact CD1-CD2 3.97Å; I250-L334 HydrophobicContact CD1-CG 4.45Å; I250-L334 HydrophobicContact CG2-CD2 4.31Å; G284-L334 CarbonylContact O-C 3.56Å; G284-L334 WeakPolarHBondContact O-CA 3.43Å; L297-L334 HydrophobicContact CB-CD1 3.94Å; L297-L334 HydrophobicContact CB-CG 4.01Å; L297-L334 HydrophobicContact CD1-CD2 4.47Å; L297-L334 HydrophobicContact CD1-CG 4.14Å; L300-L334 HydrophobicContact CB-CD2 4.4Å; L300-L334 HydrophobicContact CD2-CD2 3.53Å
335T91Very high81.1Confident5 Ų539.9 Ų39.93%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-135.8157.8162.8-176.10000109.8I283 G284 A285 G286 Y342 D343 M348I283-T335 HydrophobicContact CG2-CG2 3.66Å; G284-T335 PolarHBondContact O-N 3.46Å; G284-T335 VanDerWaalsContact O-O 3.11Å; A285-T335 HydrophobicContact CB-CG2 4.26Å; G286-T335 PolarHBondContact N-O 2.98Å; T335-Y342 HydrophobicContact CG2-CD1 3.62Å; T335-Y342 HydrophobicContact CG2-CE1 4.23Å; T335-Y342 WeakPolarHBondContact OG1-CD1 3.34Å; T335-D343 WeakPolarHBondContact CB-O 3.17Å; T335-D343 PolarHBondContact OG1-N 3.03Å; T335-D343 PolarHBondContact OG1-O 3.29Å; T335-M348 VanDerWaalsContact CB-CE 3.42Å; T335-M348 HydrophobicContact CG2-CE 3.77Å
336S88.8Confident82.6Confident8 Ų837.8 Ų37.86%0.05621%0.208CC..EExtended strand (participates in β ladder)trans-137.3139.517649.20000109.6G286 K288 D343G286-S336 CarbonylContact O-C 3.43Å; G286-S336 VanDerWaalsContact O-CA 3.3Å; G286-S336 WeakPolarHBondContact O-CA 3.46Å; K288-S336 WeakPolarHBondContact CD-OG 3.32Å; K288-S336 WeakPolarHBondContact CE-OG 3.38Å; K288-S336 PolarHBondContact NZ-OG 2.99Å; S336-D343 PolarHBondContact O-N 3.22Å; S336-D343 PolarHBondContact OG-OD2 3.25Å
337S87.8Confident83.9Confident2 Ų237 Ų371%0.01420%0.2CC..EExtended strand (participates in β ladder)trans-75138.3169.4-170.50000110.9G286 K288 Y289 G339 D341G286-S337 PolarHBondContact O-N 3.42Å; K288-S337 WeakPolarHBondContact CB-O 3.08Å; K288-S337 PolarHBondContact N-O 3.23Å; Y289-S337 PolarHBondContact N-O 3.42Å; S337-G339 VanDerWaalsContact C-N 3.35Å; S337-G339 PolarHBondContact OG-N 2.92Å; S337-D341 CarbonylContact C-O 3.59Å; S337-D341 WeakPolarHBondContact CA-O 3.26Å; S337-D341 PolarHBondContact OG-O 3.44Å
338N83Confident85.2Confident82 Ų8231.6 Ų31.644%0.43917%0.171SC..  trans-9610164.767.914.9000112.5Y289 L340 D341Y289-N338 WeakPolarHBondContact CD2-O 3.36Å; N338-L340 PolarHBondContact OD1-N 3.31Å; N338-D341 PolarHBondContact N-O 3.11Å; N338-D341 PolarHBondContact OD1-N 3.32Å; N338-D341 PolarHBondContact OD1-O 3.47Å
339G76.8Confident86.1Confident26 Ų2631.4 Ų31.427%0.26817%0.169SC..SBendtrans95.8-20.3-17700000113.7S337S337-G339 VanDerWaalsContact C-N 3.35Å; S337-G339 PolarHBondContact OG-N 2.92Å
340L76.9Confident86.2Confident152 Ų15229.6 Ų29.680%0.79616%0.161SC*.SBendtrans-117.8-33.9178-63.7174000112.6N338N338-L340 PolarHBondContact OD1-N 3.31Å
341D78.9Confident86.1Confident56 Ų5629.8 Ų29.830%0.29916%0.161SC..  trans-139.5153.3-171.5-164-31.4000110Y142 S337 N338Y142-D341 HydrophobicContact CD2-CB 4.21Å; Y142-D341 HydrophobicContact CE2-CB 3.87Å; Y142-D341 WeakPolarHBondContact CE2-OD1 3.49Å; Y142-D341 WeakPolarHBondContact CE2-OD2 3.36Å; Y142-D341 VanDerWaalsContact CZ-CG 3.48Å; Y142-D341 PolarHBondContact OH-OD1 2.86Å; Y142-D341 PolarHBondContact OH-OD2 2.97Å; S337-D341 CarbonylContact C-O 3.59Å; S337-D341 WeakPolarHBondContact CA-O 3.26Å; S337-D341 PolarHBondContact OG-O 3.44Å; N338-D341 PolarHBondContact N-O 3.11Å; N338-D341 PolarHBondContact OD1-N 3.32Å; N338-D341 PolarHBondContact OD1-O 3.47Å
342Y84.9Confident86Confident0 Ų028.9 Ų28.90%016%0.158CC..BIsolated β-bridgetrans-100.5116.9162.8-88.9-86.1000110.8I135 L138 L139 A285 T335 N344 L345I135-Y342 PolarHBondContact O-OH 2.95Å; L138-Y342 HydrophobicContact CB-CE2 3.59Å; L139-Y342 HydrophobicContact CB-CE2 4.21Å; L139-Y342 HydrophobicContact CD2-CD1 4.02Å; L139-Y342 HydrophobicContact CD2-CD2 3.54Å; L139-Y342 HydrophobicContact CD2-CE1 4Å; L139-Y342 HydrophobicContact CD2-CE2 3.5Å; L139-Y342 HydrophobicContact CD2-CG 3.77Å; L139-Y342 HydrophobicContact CG-CD2 4.1Å; L139-Y342 HydrophobicContact CG-CE1 4.34Å; L139-Y342 HydrophobicContact CG-CE2 3.54Å; A285-Y342 HydrophobicContact CB-CE1 4.02Å; T335-Y342 HydrophobicContact CG2-CD1 3.62Å; T335-Y342 HydrophobicContact CG2-CE1 4.23Å; T335-Y342 WeakPolarHBondContact OG1-CD1 3.34Å; Y342-N344 PolarHBondContact O-N 2.95Å; Y342-N344 VanDerWaalsContact O-N 3.11Å; Y342-L345 PolarHBondContact O-N 3.43Å
343D74.8Confident85.7Confident64 Ų6429.8 Ų29.834%0.34216%0.162SC..THydrogen-bonded Turntrans-50121.9-180-64-31.7000111.4T335 S336 L345T335-D343 WeakPolarHBondContact CB-O 3.17Å; T335-D343 PolarHBondContact OG1-N 3.03Å; T335-D343 PolarHBondContact OG1-O 3.29Å; S336-D343 PolarHBondContact O-N 3.22Å; S336-D343 PolarHBondContact OG-OD2 3.25Å; D343-L345 VanDerWaalsContact C-N 3.32Å; D343-L345 PolarHBondContact O-N 3.48Å
344N82.7Confident85.2Confident69 Ų6929.3 Ų29.337%0.36916%0.161SC..THydrogen-bonded Turntrans6513.3170.9-55.1-59.3000117.6W333 Y342 A346 N347 M348W333-N344 HydrophobicContact CE3-CB 4.44Å; W333-N344 HydrophobicContact CZ3-CB 4Å; Y342-N344 PolarHBondContact O-N 2.95Å; Y342-N344 VanDerWaalsContact O-N 3.11Å; N344-A346 VanDerWaalsContact C-N 3.25Å; N344-A346 PolarHBondContact O-N 3.39Å; N344-N347 HydrophobicContact CB-CB 4.2Å; N344-N347 WeakPolarHBondContact O-CA 3.48Å; N344-N347 WeakPolarHBondContact O-CB 3.26Å; N344-N347 PolarHBondContact O-N 2.92Å; N344-N347 PolarHBondContact OD1-ND2 3.07Å; N344-N347 VanDerWaalsContact OD1-ND2 3.09Å; N344-M348 PolarHBondContact O-N 3.05Å
345L89.1Confident84.3Confident1 Ų128.4 Ų28.41%0.00516%0.156CC..Hα-helixtrans-57.7-38.5179.3-176.268.6000112.3L139 Y142 I143 W146 I283 Y342 D343 N347 M348 I349L139-L345 HydrophobicContact CD2-CD2 4.22Å; Y142-L345 HydrophobicContact CD1-CD2 3.69Å; Y142-L345 HydrophobicContact CE1-CB 4.01Å; Y142-L345 HydrophobicContact CE1-CD2 3.93Å; I143-L345 HydrophobicContact CD1-CD2 4.25Å; I143-L345 HydrophobicContact CG1-CD2 3.93Å; W146-L345 HydrophobicContact CH2-CB 4.1Å; W146-L345 HydrophobicContact CH2-CD2 4.02Å; W146-L345 HydrophobicContact CH2-CG 4.03Å; W146-L345 HydrophobicContact CZ3-CD2 4.21Å; W146-L345 HydrophobicContact CZ3-CG 4.45Å; I283-L345 HydrophobicContact CD1-CD1 4.39Å; Y342-L345 PolarHBondContact O-N 3.43Å; D343-L345 VanDerWaalsContact C-N 3.32Å; D343-L345 PolarHBondContact O-N 3.48Å; L345-N347 VanDerWaalsContact C-N 3.29Å; L345-N347 PolarHBondContact O-N 3.36Å; L345-M348 HydrophobicContact CD1-SD 3.87Å; L345-M348 WeakPolarHBondContact O-CB 3.49Å; L345-M348 PolarHBondContact O-N 3.25Å; L345-I349 HydrophobicContact CG-CD1 4.24Å; L345-I349 WeakPolarHBondContact O-CG1 3.47Å; L345-I349 PolarHBondContact O-N 3.46Å; L345-I349 VanDerWaalsContact O-N 3.12Å
346A86.6Confident83Confident6 Ų631.3 Ų31.35%0.0517%0.171CC..Hα-helixtrans-61.7-39.4175.200000111.9W146 L178 P179 L181 N344 M348 I349 N350W146-A346 HydrophobicContact CH2-CB 3.74Å; W146-A346 HydrophobicContact CZ2-CB 3.66Å; L178-A346 HydrophobicContact CD1-CB 4.29Å; P179-A346 HydrophobicContact CG-CB 3.68Å; L181-A346 HydrophobicContact CD1-CB 3.62Å; L181-A346 WeakPolarHBondContact CD1-O 3.48Å; L181-A346 HydrophobicContact CD2-CB 4.48Å; L181-A346 HydrophobicContact CG-CB 4.28Å; N344-A346 VanDerWaalsContact C-N 3.25Å; N344-A346 PolarHBondContact O-N 3.39Å; A346-M348 VanDerWaalsContact C-N 3.32Å; A346-M348 PolarHBondContact O-N 2.63Å; A346-I349 PolarHBondContact O-N 3.19Å; A346-N350 WeakPolarHBondContact O-CB 3.47Å; A346-N350 PolarHBondContact O-N 2.91Å
347N85.7Confident81.5Confident60 Ų6035.7 Ų35.732%0.32119%0.194SC..Hα-helixtrans-66-37.1178.1-72.2-43.4000110.7L181 W333 N344 L345 W351L181-N347 VanDerWaalsContact CD1-CA 3.5Å; L181-N347 HydrophobicContact CD1-CB 4.14Å; L181-N347 VanDerWaalsContact CD1-N 3.31Å; L181-N347 WeakPolarHBondContact CD1-OD1 3.47Å; L181-N347 WeakPolarHBondContact CD2-OD1 3.43Å; W333-N347 HydrophobicContact CH2-CB 3.81Å; W333-N347 HydrophobicContact CZ3-CB 3.84Å; N344-N347 HydrophobicContact CB-CB 4.2Å; N344-N347 WeakPolarHBondContact O-CA 3.48Å; N344-N347 WeakPolarHBondContact O-CB 3.26Å; N344-N347 PolarHBondContact O-N 2.92Å; N344-N347 PolarHBondContact OD1-ND2 3.07Å; N344-N347 VanDerWaalsContact OD1-ND2 3.09Å; L345-N347 VanDerWaalsContact C-N 3.29Å; L345-N347 PolarHBondContact O-N 3.36Å; N347-W351 WeakPolarHBondContact O-CB 3.49Å; N347-W351 PolarHBondContact O-N 3.36Å
348M89.8Confident79.7Confident0 Ų038.4 Ų38.40%021%0.208CC..Hα-helixtrans-59.6-53.2175.2-66.2174.5-175.800111.1L281 I283 W333 T335 N344 L345 A346 N350 W351 G352L281-M348 HydrophobicContact CD1-CB 4.15Å; L281-M348 WeakPolarHBondContact CD1-O 3.02Å; I283-M348 HydrophobicContact CD1-SD 3.69Å; I283-M348 HydrophobicContact CG1-SD 3.88Å; I283-M348 HydrophobicContact CG2-CE 4.14Å; I283-M348 HydrophobicContact CG2-SD 3.92Å; W333-M348 HydrophobicContact CB-CE 3.6Å; W333-M348 HydrophobicContact CB-CG 4.34Å; W333-M348 HydrophobicContact CB-SD 4.26Å; W333-M348 HydrophobicContact CD2-CB 4.48Å; W333-M348 HydrophobicContact CD2-CE 4.08Å; W333-M348 HydrophobicContact CD2-CG 3.5Å; W333-M348 VanDerWaalsContact CD2-CG 3.5Å; W333-M348 HydrophobicContact CD2-SD 4.5Å; W333-M348 HydrophobicContact CE3-CB 4.13Å; W333-M348 HydrophobicContact CE3-CE 3.5Å; W333-M348 HydrophobicContact CE3-CG 2.98Å; W333-M348 HydrophobicContact CE3-SD 4.07Å; W333-M348 HydrophobicContact CG-CE 4.17Å; W333-M348 HydrophobicContact CG-CG 4.08Å; W333-M348 HydrophobicContact CH2-CG 4.15Å; W333-M348 HydrophobicContact CZ3-CB 4.09Å; W333-M348 HydrophobicContact CZ3-CE 4.44Å; W333-M348 HydrophobicContact CZ3-CG 3.29Å; T335-M348 VanDerWaalsContact CB-CE 3.42Å; T335-M348 HydrophobicContact CG2-CE 3.77Å; N344-M348 PolarHBondContact O-N 3.05Å; L345-M348 HydrophobicContact CD1-SD 3.87Å; L345-M348 WeakPolarHBondContact O-CB 3.49Å; L345-M348 PolarHBondContact O-N 3.25Å; A346-M348 VanDerWaalsContact C-N 3.32Å; A346-M348 PolarHBondContact O-N 2.63Å; M348-N350 PolarHBondContact O-N 3.14Å; M348-W351 PolarHBondContact O-N 3.24Å; M348-G352 PolarHBondContact O-N 3.01Å
349I90.4Very high77.6Confident0 Ų039.1 Ų39.10%021%0.212CC..Hα-helixtrans-63.7-44.7-177-64.6169000109.9W146 L178 I190 M192 L245 L345 A346 W351 G352 L353W146-I349 HydrophobicContact CH2-CD1 4.41Å; W146-I349 HydrophobicContact CZ3-CD1 3.83Å; L178-I349 HydrophobicContact CD1-CB 4.02Å; L178-I349 HydrophobicContact CD1-CD1 4.13Å; L178-I349 HydrophobicContact CD1-CG2 3.93Å; L178-I349 HydrophobicContact CD2-CB 4.43Å; L178-I349 HydrophobicContact CD2-CG2 4.1Å; I190-I349 HydrophobicContact CD1-CG2 3.42Å; I190-I349 VanDerWaalsContact CD1-CG2 3.42Å; M192-I349 HydrophobicContact CE-CD1 4.06Å; L245-I349 HydrophobicContact CD2-CD1 4.46Å; L245-I349 HydrophobicContact CD2-CG1 4.11Å; L345-I349 HydrophobicContact CG-CD1 4.24Å; L345-I349 WeakPolarHBondContact O-CG1 3.47Å; L345-I349 PolarHBondContact O-N 3.46Å; L345-I349 VanDerWaalsContact O-N 3.12Å; A346-I349 PolarHBondContact O-N 3.19Å; I349-W351 VanDerWaalsContact C-N 3.35Å; I349-W351 PolarHBondContact O-N 3.46Å; I349-G352 CarbonylContact O-C 3.47Å; I349-G352 WeakPolarHBondContact O-CA 3.34Å; I349-G352 PolarHBondContact O-N 3.19Å; I349-G352 VanDerWaalsContact O-N 3.08Å; I349-L353 HydrophobicContact CG2-CD1 3.98Å; I349-L353 HydrophobicContact CG2-CG 4.39Å; I349-L353 WeakPolarHBondContact O-CG 3.5Å; I349-L353 PolarHBondContact O-N 2.99Å
350N87.1Confident75.6Confident3 Ų344.5 Ų44.52%0.01624%0.235CC..Hα-helixtrans-58.1-45.1176-100.2-32.3000112.7L178 L181 Y184 A346 M348 G352 L353 Y354L178-N350 HydrophobicContact CD2-CB 4.12Å; L178-N350 WeakPolarHBondContact CD2-ND2 3.07Å; L178-N350 WeakPolarHBondContact CD2-OD1 3.29Å; L181-N350 HydrophobicContact CD1-CB 4.24Å; L181-N350 WeakPolarHBondContact CD1-ND2 3.37Å; Y184-N350 HydrophobicContact CD2-CB 3.88Å; Y184-N350 WeakPolarHBondContact CD2-OD1 3.44Å; Y184-N350 HydrophobicContact CE2-CB 3.58Å; A346-N350 WeakPolarHBondContact O-CB 3.47Å; A346-N350 PolarHBondContact O-N 2.91Å; M348-N350 PolarHBondContact O-N 3.14Å; N350-G352 VanDerWaalsContact C-N 3.33Å; N350-G352 PolarHBondContact O-N 3.34Å; N350-L353 PolarHBondContact O-N 3.4Å; N350-Y354 PolarHBondContact O-N 2.98Å
351W85.9Confident73.5Confident27 Ų2743.6 Ų43.610%0.10223%0.23CC..Hα-helixtrans-60.7-45.9173.8179.475.6000110.9L281 R331 N347 M348 I349 L353 Y354 R355L281-W351 HydrophobicContact CD2-CE3 3.39Å; L281-W351 HydrophobicContact CD2-CZ3 3.4Å; R331-W351 HydrophobicContact CB-CE3 4.11Å; R331-W351 HydrophobicContact CB-CH2 3.57Å; R331-W351 HydrophobicContact CB-CZ2 4.33Å; R331-W351 HydrophobicContact CB-CZ3 3.45Å; R331-W351 VanDerWaalsContact CB-CZ3 3.45Å; R331-W351 HydrophobicContact CG-CH2 4.45Å; R331-W351 HydrophobicContact CG-CZ3 4.46Å; R331-W351 VanDerWaalsContact CZ-CZ2 3.49Å; R331-W351 VanDerWaalsContact NH1-CD2 3.32Å; R331-W351 VanDerWaalsContact NH2-NE1 3.13Å; N347-W351 WeakPolarHBondContact O-CB 3.49Å; N347-W351 PolarHBondContact O-N 3.36Å; M348-W351 PolarHBondContact O-N 3.24Å; I349-W351 VanDerWaalsContact C-N 3.35Å; I349-W351 PolarHBondContact O-N 3.46Å; W351-L353 PolarHBondContact O-N 2.93Å; W351-Y354 PolarHBondContact O-N 3.3Å; W351-R355 HydrophobicContact CD2-CB 4.42Å; W351-R355 HydrophobicContact CZ2-CB 4.16Å; W351-R355 WeakPolarHBondContact O-CA 3.49Å; W351-R355 WeakPolarHBondContact O-CB 3.46Å; W351-R355 PolarHBondContact O-N 3.11Å
352G89Confident71.4Confident0 Ų043.7 Ų43.70%023%0.231CC..Hα-helixtrans-54.4-38.4176.800000113S279 M348 I349 N350 R355S279-G352 WeakPolarHBondContact OG-CA 3.06Å; S279-G352 PolarHBondContact OG-O 3.47Å; M348-G352 PolarHBondContact O-N 3.01Å; I349-G352 CarbonylContact O-C 3.47Å; I349-G352 WeakPolarHBondContact O-CA 3.34Å; I349-G352 PolarHBondContact O-N 3.19Å; I349-G352 VanDerWaalsContact O-N 3.08Å; N350-G352 VanDerWaalsContact C-N 3.33Å; N350-G352 PolarHBondContact O-N 3.34Å; G352-R355 WeakPolarHBondContact O-CD 3.34Å; G352-R355 PolarHBondContact O-NH1 3.08Å
353L87Confident68.7Low18 Ų1853.4 Ų53.49%0.09427%0.273CS..Hα-helixtrans-80.1-45.3-179.7-67.1174.7000113.3Y121 T188 I190 H242 V243 I349 N350 W351Y121-L353 HydrophobicContact CD1-CD2 3.7Å; Y121-L353 HydrophobicContact CD2-CD1 3.85Å; Y121-L353 HydrophobicContact CD2-CD2 3.83Å; Y121-L353 HydrophobicContact CD2-CG 4.37Å; Y121-L353 HydrophobicContact CE1-CD2 4.33Å; Y121-L353 HydrophobicContact CE2-CD1 4.36Å; Y121-L353 HydrophobicContact CE2-CD2 4.43Å; Y121-L353 HydrophobicContact CG-CD1 4.25Å; Y121-L353 HydrophobicContact CG-CD2 3.42Å; Y121-L353 VanDerWaalsContact CG-CD2 3.42Å; Y121-L353 HydrophobicContact CG-CG 4.41Å; T188-L353 HydrophobicContact CG2-CD1 3.8Å; I190-L353 HydrophobicContact CD1-CD1 3.74Å; I190-L353 HydrophobicContact CG1-CD1 4.25Å; H242-L353 HydrophobicContact CB-CD2 4.32Å; V243-L353 HydrophobicContact CG2-CD2 3.46Å; V243-L353 VanDerWaalsContact CG2-CD2 3.46Å; V243-L353 HydrophobicContact CG2-CG 3.89Å; I349-L353 HydrophobicContact CG2-CD1 3.98Å; I349-L353 HydrophobicContact CG2-CG 4.39Å; I349-L353 WeakPolarHBondContact O-CG 3.5Å; I349-L353 PolarHBondContact O-N 2.99Å; N350-L353 PolarHBondContact O-N 3.4Å; W351-L353 PolarHBondContact O-N 2.93Å
354Y82.1Confident66.7Low12 Ų1256.2 Ų56.25%0.04729%0.292CS..Hα-helixtrans-111.57.3-165.6-62.3-67.6000115.1D119 Y121 Y184 T188 N350 W351 N356 N357D119-Y354 PolarHBondContact OD2-OH 3.27Å; Y121-Y354 HydrophobicContact CE2-CE1 4.25Å; Y121-Y354 AromaticContact CE2-CZ 3.96Å; Y184-Y354 HydrophobicContact CD1-CD1 4.34Å; Y184-Y354 AromaticContact CD1-CD2 3.37Å; Y184-Y354 HydrophobicContact CD1-CD2 3.37Å; Y184-Y354 AromaticContact CD1-CE2 3.89Å; Y184-Y354 HydrophobicContact CD1-CE2 3.89Å; Y184-Y354 AromaticContact CD1-CG 3.63Å; Y184-Y354 HydrophobicContact CD1-CG 3.63Å; Y184-Y354 HydrophobicContact CD2-CD2 4.34Å; Y184-Y354 HydrophobicContact CE1-CD1 4.39Å; Y184-Y354 AromaticContact CE1-CD2 3.49Å; Y184-Y354 HydrophobicContact CE1-CD2 3.49Å; Y184-Y354 VanDerWaalsContact CE1-CD2 3.49Å; Y184-Y354 HydrophobicContact CE1-CE2 4.44Å; Y184-Y354 AromaticContact CE1-CG 3.46Å; Y184-Y354 HydrophobicContact CE1-CG 3.46Å; Y184-Y354 VanDerWaalsContact CE1-CG 3.46Å; Y184-Y354 HydrophobicContact CE2-CD2 4.41Å; Y184-Y354 AromaticContact CG-CD2 3.84Å; Y184-Y354 HydrophobicContact CG-CD2 3.84Å; Y184-Y354 HydrophobicContact CG-CE2 4.09Å; Y184-Y354 AromaticContact CZ-CD2 4Å; T188-Y354 PolarHBondContact OG1-OH 2.94Å; N350-Y354 PolarHBondContact O-N 2.98Å; W351-Y354 PolarHBondContact O-N 3.3Å; Y354-N356 PolarHBondContact O-N 3.19Å; Y354-N357 VanDerWaalsContact O-CB 3.3Å; Y354-N357 WeakPolarHBondContact O-CB 3.45Å; Y354-N357 PolarHBondContact O-N 3.25Å
355R73Confident65.9Low6 Ų655.6 Ų55.62%0.02329%0.288CS..Hα-helixtrans-43.1-35.8174.557.3-161.5-155.8-83.8-8.7116V276 N277 Q278 S279 W351 G352 N357 D358 N359V276-R355 PolarHBondContact O-NH2 3.18Å; N277-R355 PolarHBondContact O-NH1 3.46Å; N277-R355 PolarHBondContact O-NH2 3.24Å; Q278-R355 PolarHBondContact O-NH2 2.85Å; S279-R355 PolarHBondContact OG-NH1 2.87Å; W351-R355 HydrophobicContact CD2-CB 4.42Å; W351-R355 HydrophobicContact CZ2-CB 4.16Å; W351-R355 WeakPolarHBondContact O-CA 3.49Å; W351-R355 WeakPolarHBondContact O-CB 3.46Å; W351-R355 PolarHBondContact O-N 3.11Å; G352-R355 WeakPolarHBondContact O-CD 3.34Å; G352-R355 PolarHBondContact O-NH1 3.08Å; R355-N357 PolarHBondContact O-N 3.27Å; R355-D358 WeakPolarHBondContact O-CB 3.41Å; R355-D358 PolarHBondContact O-N 3.28Å; R355-D358 VanDerWaalsContact O-N 3.13Å; R355-N359 PolarHBondContact O-N 3.25Å
356N62.9Low64.7Low66 Ų6658.4 Ų58.435%0.35330%0.303SS..Hα-helixtrans-68.2-25.2179.5-73.2-18.8000112.1Q329 Y354 D358Q329-N356 PolarHBondContact NE2-OD1 3.29Å; Y354-N356 PolarHBondContact O-N 3.19Å; N356-D358 VanDerWaalsContact C-N 3.32Å
357N56.5Low63.5Low99 Ų9961.3 Ų61.353%0.52932%0.317SS..Hα-helixtrans-75.4-22.3174.4-61.2-13.6000112.1Y354 R355Y354-N357 VanDerWaalsContact O-CB 3.3Å; Y354-N357 WeakPolarHBondContact O-CB 3.45Å; Y354-N357 PolarHBondContact O-N 3.25Å; R355-N357 PolarHBondContact O-N 3.27Å
358D50.1Low62.1Low60 Ų6061.4 Ų61.432%0.32132%0.317SS..Hα-helixtrans-77.3-31.9177.1-68.3-23.9000111.8R355 N356 D360 N361R355-D358 WeakPolarHBondContact O-CB 3.41Å; R355-D358 PolarHBondContact O-N 3.28Å; R355-D358 VanDerWaalsContact O-N 3.13Å; N356-D358 VanDerWaalsContact C-N 3.32Å; D358-D360 VanDerWaalsContact C-N 3.3Å; D358-D360 PolarHBondContact O-N 2.85Å; D358-N361 PolarHBondContact O-N 2.85Å; D358-N361 VanDerWaalsContact O-N 3.16Å
359N39.9Very low60.4Low97 Ų9765.3 Ų65.352%0.51934%0.336SS..Hα-helixtrans-66-27.3-175.7-77.8-15.9000113.8R355 N361 I362R355-N359 PolarHBondContact O-N 3.25Å; N359-N361 PolarHBondContact O-N 3.38Å; N359-N361 VanDerWaalsContact O-N 3.13Å; N359-I362 PolarHBondContact O-N 3.36Å
360D33.7Very low58.4Low139 Ų13969.6 Ų69.674%0.74336%0.359SS*.THydrogen-bonded Turntrans-63.2-18.6176.1-82.7-18000112.9D358D358-D360 VanDerWaalsContact C-N 3.3Å; D358-D360 PolarHBondContact O-N 2.85Å
361N32.8Very low56.4Low132 Ų13274.4 Ų74.471%0.70638%0.383SS*.THydrogen-bonded Turntrans-110.3-9.3-175.4-69.7-45.5000115.1D358 N359D358-N361 PolarHBondContact O-N 2.85Å; D358-N361 VanDerWaalsContact O-N 3.16Å; N359-N361 PolarHBondContact O-N 3.38Å; N359-N361 VanDerWaalsContact O-N 3.13Å
362I35.8Very low54.1Low59 Ų5978 Ų7830%0.30341%0.405SS..  trans-108.870.8-179.2-44.7177.8000110.4Y98 N359 V364Y98-I362 HydrophobicContact CE2-CG2 4.4Å; N359-I362 PolarHBondContact O-N 3.36Å; I362-V364 HydrophobicContact CG2-CG2 3.53Å; I362-V364 PolarHBondContact O-N 3.28Å
363K28.1Very low51.2Low204 Ų20484.5 Ų84.589%0.88744%0.439SS*.  trans-78100.4157-70.4-176.2179.31780108
364V32.6Very low47.9Very low122 Ų12290.5 Ų90.574%0.73947%0.47SS*.  trans-83.80171-175.60000111.8Y98 I362Y98-V364 HydrophobicContact CD2-CG2 4.38Å; I362-V364 HydrophobicContact CG2-CG2 3.53Å; I362-V364 PolarHBondContact O-N 3.28Å

Retrieved 364 of 364 residues in 913.2 ms (Link to these results)

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