A0A087Y658_POEFO Loading...

Actin-related protein 6

AlphaFold DB (A0A3B3TM14), UniProt , Accession A0A087Y658, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 396 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
1M69.4Low88.9Confident133 Ų13322.5 Ų22.566%0.65514%0.138SC*.  01420-156.5174.5-77.600107.5T3 Q120M1-T3 PolarHBondContact O-N 3.14Å; M1-Q120 PolarHBondContact SD-OE1 3.45Å; M1-Q120 VanDerWaalsContact SD-OE1 3.38Å
2A85.6Confident88.9Confident45 Ų4527.6 Ų27.637%0.37215%0.153SC..EExtended strand (participates in β ladder)trans-82.2117176.700000108.9Y17 T91 S92A2-Y17 HydrophobicContact CB-CD1 4.34Å; A2-Y17 HydrophobicContact CB-CE1 4.31Å; A2-T91 HydrophobicContact CB-CG2 4.18Å; A2-T91 WeakPolarHBondContact O-CA 3.34Å; A2-S92 PolarHBondContact O-N 3.23Å
3T91.7Very high89Confident6 Ų625.5 Ų25.54%0.03714%0.141CC..EExtended strand (participates in β ladder)trans-99.5121.4179-55.30000110M1 V5 Y17 S18 S92 I94 A367 Y372M1-T3 PolarHBondContact O-N 3.14Å; T3-V5 HydrophobicContact CG2-CG2 4.5Å; T3-Y17 WeakPolarHBondContact O-CA 3.45Å; T3-S18 PolarHBondContact O-N 3.13Å; T3-S92 CarbonylContact C-O 3.56Å; T3-S92 WeakPolarHBondContact CA-O 3.2Å; T3-I94 HydrophobicContact CG2-CD1 3.76Å; T3-I94 HydrophobicContact CG2-CG1 3.7Å; T3-A367 HydrophobicContact CG2-CB 3.69Å; T3-Y372 HydrophobicContact CG2-CE2 4.48Å; T3-Y372 WeakPolarHBondContact CG2-OH 3.25Å; T3-Y372 PolarHBondContact OG1-OH 3.34Å
4L94Very high89.3Confident0 Ų025.1 Ų25.10%014%0.137CC..EExtended strand (participates in β ladder)trans-95.2119.7174.7-174.167.1000109I15 Y17 F79 V86 S92 I93 I94L4-I15 HydrophobicContact CD1-CD1 4.13Å; L4-I15 HydrophobicContact CD1-CG1 3.85Å; L4-I15 HydrophobicContact CD2-CD1 4.2Å; L4-I15 HydrophobicContact CG-CD1 4.37Å; L4-I15 HydrophobicContact CG-CG1 4.33Å; L4-Y17 HydrophobicContact CB-CD1 4.31Å; L4-Y17 HydrophobicContact CB-CE1 4.19Å; L4-Y17 HydrophobicContact CD1-CD1 4.06Å; L4-Y17 HydrophobicContact CD1-CD2 4.38Å; L4-Y17 HydrophobicContact CD1-CE1 4Å; L4-Y17 HydrophobicContact CD1-CE2 4.31Å; L4-Y17 HydrophobicContact CD1-CG 4.26Å; L4-F79 HydrophobicContact CD2-CD1 3.83Å; L4-F79 HydrophobicContact CD2-CE1 3.62Å; L4-V86 HydrophobicContact CD2-CG1 4.2Å; L4-V86 HydrophobicContact CD2-CG2 3.77Å; L4-S92 PolarHBondContact N-O 2.84Å; L4-I93 CarbonylContact O-C 3.57Å; L4-I93 WeakPolarHBondContact O-CA 3.25Å; L4-I94 PolarHBondContact O-N 2.89Å
5V95.1Very high89.5Confident1 Ų123.4 Ų23.41%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-100.2122.7177.5-175.10000108.6T3 I15 G16 I94 W360T3-V5 HydrophobicContact CG2-CG2 4.5Å; V5-I15 WeakPolarHBondContact O-CA 2.9Å; V5-G16 PolarHBondContact N-O 2.94Å; V5-G16 PolarHBondContact O-N 3.49Å; V5-I94 HydrophobicContact CG2-CB 4.43Å; V5-I94 HydrophobicContact CG2-CD1 4.25Å; V5-W360 HydrophobicContact CG1-CG 4.22Å; V5-W360 PolarHBondContact O-NE1 3.4Å; V5-W360 VanDerWaalsContact O-NE1 3.12Å
6L94.9Very high89.7Confident0 Ų021.9 Ų21.90%012%0.12CC..EExtended strand (participates in β ladder)trans-122.6103177.8176.562.2000110.1N8 A13 K14 I15 L78 F79 I93 I94 I95 T96L6-N8 HydrophobicContact CG-CB 4.47Å; L6-N8 PolarHBondContact O-N 3.27Å; L6-A13 HydrophobicContact CD1-CB 4.35Å; L6-K14 CarbonylContact C-O 3.58Å; L6-K14 WeakPolarHBondContact CA-O 3.37Å; L6-I15 HydrophobicContact CD1-CB 3.91Å; L6-I15 HydrophobicContact CD1-CD1 4.38Å; L6-I15 HydrophobicContact CD1-CG1 4.4Å; L6-L78 HydrophobicContact CD1-CD1 4.33Å; L6-F79 HydrophobicContact CD2-CE1 4.3Å; L6-F79 HydrophobicContact CD2-CZ 3.93Å; L6-I93 HydrophobicContact CD2-CD1 4.48Å; L6-I94 PolarHBondContact N-O 2.88Å; L6-I95 HydrophobicContact CD2-CD1 3.96Å; L6-I95 HydrophobicContact CD2-CG1 4.21Å; L6-I95 HydrophobicContact CG-CG1 4.37Å; L6-I95 WeakPolarHBondContact O-CA 3.2Å; L6-T96 PolarHBondContact O-N 2.97Å
7D93.9Very high89.9Confident8 Ų822.8 Ų22.84%0.04312%0.122CC..EExtended strand (participates in β ladder)trans-82101.1165.9-178.816.8000109.3G9 A13 K14 T96 W360D7-G9 VanDerWaalsContact C-N 3.34Å; D7-G9 PolarHBondContact O-N 3.09Å; D7-G9 VanDerWaalsContact O-N 3.09Å; D7-A13 WeakPolarHBondContact O-CA 3.13Å; D7-K14 HydrophobicContact CB-CB 4.19Å; D7-K14 HydrophobicContact CB-CD 4.08Å; D7-K14 PolarHBondContact N-O 2.7Å; D7-K14 PolarHBondContact O-N 3.07Å; D7-K14 VanDerWaalsContact OD2-CD 3.31Å; D7-K14 WeakPolarHBondContact OD2-CD 3.31Å; D7-K14 IonicContact OD2-NZ 3.23Å; D7-K14 PolarHBondContact OD2-NZ 3.06Å; D7-T96 VanDerWaalsContact CA-OG1 3.25Å; D7-T96 WeakPolarHBondContact CA-OG1 3.45Å; D7-T96 HydrophobicContact CB-CG2 4.08Å; D7-T96 PolarHBondContact OD1-OG1 3.23Å; D7-W360 HydrophobicContact CB-CB 4.42Å
8N90.6Very high89.7Confident10 Ų1022 Ų225%0.05312%0.118CC..EExtended strand (participates in β ladder)trans-85.769.1-173.2-17126.2000111.8L6 N27 Q71 I95 T96L6-N8 HydrophobicContact CG-CB 4.47Å; L6-N8 PolarHBondContact O-N 3.27Å; N8-N27 PolarHBondContact OD1-ND2 3.38Å; N8-N27 VanDerWaalsContact OD1-ND2 3.14Å; N8-Q71 VanDerWaalsContact CG-NE2 3.33Å; N8-Q71 PolarHBondContact ND2-NE2 3.49Å; N8-Q71 VanDerWaalsContact ND2-NE2 3.13Å; N8-Q71 PolarHBondContact OD1-NE2 2.92Å; N8-I95 HydrophobicContact CB-CD1 4.45Å; N8-I95 HydrophobicContact CB-CG1 4.17Å; N8-T96 PolarHBondContact N-OG1 3.1Å
9G88.1Confident89.4Confident19 Ų1929.4 Ų29.420%0.19615%0.152CC..  trans-72.6156.8176.800000113.3D7 Y11 W12 N27D7-G9 VanDerWaalsContact C-N 3.34Å; D7-G9 PolarHBondContact O-N 3.09Å; D7-G9 VanDerWaalsContact O-N 3.09Å; G9-Y11 PolarHBondContact O-N 2.9Å; G9-W12 CarbonylContact C-O 3.43Å; G9-W12 WeakPolarHBondContact CA-O 3.34Å; G9-W12 PolarHBondContact N-O 3.36Å; G9-W12 VanDerWaalsContact N-O 3.16Å; G9-N27 WeakPolarHBondContact O-CB 3.37Å; G9-N27 PolarHBondContact O-ND2 3.24Å
10A86.6Confident89.2Confident13 Ų1332.3 Ų32.311%0.10717%0.167CC..SBendtrans-66.9-19.1-17900000115.1F60 F152 S153A10-F60 HydrophobicContact CB-CB 3.72Å; A10-F60 HydrophobicContact CB-CD2 4.26Å; A10-F60 HydrophobicContact CB-CG 3.96Å; A10-F152 HydrophobicContact CB-CD1 4.2Å; A10-S153 WeakPolarHBondContact CB-OG 3.48Å
11Y87.4Confident89Confident12 Ų1239.6 Ų39.65%0.04720%0.198CC..SBendtrans-127.4-39.1-179.4179.6-110.2000112.6G9 P26 N27 L58 F152 N203G9-Y11 PolarHBondContact O-N 2.9Å; Y11-P26 CarbonylContact O-C 3.48Å; Y11-P26 WeakPolarHBondContact O-CA 3.49Å; Y11-N27 PolarHBondContact O-N 3.43Å; Y11-L58 HydrophobicContact CD2-CD2 4.41Å; Y11-F152 VanDerWaalsContact CB-CG 3.42Å; Y11-F152 HydrophobicContact CD1-CD2 4.26Å; Y11-F152 HydrophobicContact CD2-CD2 4.26Å; Y11-F152 AromaticContact CD2-CE2 3.94Å; Y11-F152 HydrophobicContact CD2-CE2 3.94Å; Y11-F152 HydrophobicContact CD2-CZ 4.14Å; Y11-F152 AromaticContact CG-CD2 3.79Å; Y11-F152 HydrophobicContact CG-CD2 3.79Å; Y11-F152 AromaticContact CG-CE2 3.96Å; Y11-F152 HydrophobicContact CG-CE2 3.96Å; Y11-F152 HydrophobicContact CG-CG 4.15Å; Y11-F152 HydrophobicContact CG-CZ 4.44Å; Y11-N203 PolarHBondContact OH-ND2 2.96Å
12W89.1Confident90.1Very high84 Ų8435 Ų3532%0.31818%0.177SC..EExtended strand (participates in β ladder)trans-113.4129.6172.8-65.5117.7000109.5G9 V24 I25 P26G9-W12 CarbonylContact C-O 3.43Å; G9-W12 WeakPolarHBondContact CA-O 3.34Å; G9-W12 PolarHBondContact N-O 3.36Å; G9-W12 VanDerWaalsContact N-O 3.16Å; W12-V24 HydrophobicContact CB-CG1 4.1Å; W12-V24 HydrophobicContact CD2-CG1 3.87Å; W12-V24 HydrophobicContact CE3-CG1 3.7Å; W12-V24 HydrophobicContact CG-CG1 4.04Å; W12-V24 HydrophobicContact CZ3-CG1 4.38Å; W12-I25 CarbonylContact C-O 3.56Å; W12-I25 WeakPolarHBondContact CA-O 3.2Å; W12-I25 VanDerWaalsContact CE3-C 3.46Å; W12-P26 HydrophobicContact CE3-CB 4.41Å; W12-P26 HydrophobicContact CE3-CG 4.22Å; W12-P26 HydrophobicContact CH2-CG 4.2Å; W12-P26 HydrophobicContact CZ3-CB 4.14Å; W12-P26 HydrophobicContact CZ3-CG 3.53Å
13A90.1Very high90.3Very high0 Ų035.1 Ų35.10%018%0.175CC..EExtended strand (participates in β ladder)trans-95.6121.9162.300000107.8L6 D7 I25 N27 L78L6-A13 HydrophobicContact CD1-CB 4.35Å; D7-A13 WeakPolarHBondContact O-CA 3.13Å; A13-I25 PolarHBondContact N-O 2.75Å; A13-I25 PolarHBondContact O-N 2.89Å; A13-I25 VanDerWaalsContact O-O 3.13Å; A13-N27 HydrophobicContact CB-CB 3.97Å; A13-L78 HydrophobicContact CB-CD1 3.96Å
14K93.3Very high90.2Very high20 Ų2037.7 Ų37.79%0.08719%0.191CC..EExtended strand (participates in β ladder)trans-108.4117.6177.5-49.9142.9-161.7166.40107.7L6 D7 V22 S23 V24 V356 W360L6-K14 CarbonylContact C-O 3.58Å; L6-K14 WeakPolarHBondContact CA-O 3.37Å; D7-K14 HydrophobicContact CB-CB 4.19Å; D7-K14 HydrophobicContact CB-CD 4.08Å; D7-K14 PolarHBondContact N-O 2.7Å; D7-K14 PolarHBondContact O-N 3.07Å; D7-K14 VanDerWaalsContact OD2-CD 3.31Å; D7-K14 WeakPolarHBondContact OD2-CD 3.31Å; D7-K14 IonicContact OD2-NZ 3.23Å; D7-K14 PolarHBondContact OD2-NZ 3.06Å; K14-V22 HydrophobicContact CB-CG2 3.75Å; K14-S23 WeakPolarHBondContact CA-O 3.5Å; K14-V24 HydrophobicContact CG-CG1 4.26Å; K14-V24 HydrophobicContact CG-CG2 4.24Å; K14-V356 WeakPolarHBondContact CD-O 3.26Å; K14-V356 WeakPolarHBondContact CE-O 3.32Å; K14-V356 PolarHBondContact NZ-O 2.95Å; K14-W360 HydrophobicContact CB-CB 4.46Å
15I92.9Very high89.9Confident0 Ų037.9 Ų37.90%019%0.192CC..EExtended strand (participates in β ladder)trans-130144.4-172-178.8167.7000110.4L4 V5 L6 S23 I25 L78 F79 F84L4-I15 HydrophobicContact CD1-CD1 4.13Å; L4-I15 HydrophobicContact CD1-CG1 3.85Å; L4-I15 HydrophobicContact CD2-CD1 4.2Å; L4-I15 HydrophobicContact CG-CD1 4.37Å; L4-I15 HydrophobicContact CG-CG1 4.33Å; V5-I15 WeakPolarHBondContact O-CA 2.9Å; L6-I15 HydrophobicContact CD1-CB 3.91Å; L6-I15 HydrophobicContact CD1-CD1 4.38Å; L6-I15 HydrophobicContact CD1-CG1 4.4Å; I15-S23 PolarHBondContact N-O 3.45Å; I15-S23 PolarHBondContact O-N 2.95Å; I15-I25 HydrophobicContact CG2-CD1 4.1Å; I15-L78 HydrophobicContact CD1-CB 4.1Å; I15-L78 HydrophobicContact CG2-CD2 4.08Å; I15-F79 HydrophobicContact CD1-CD1 3.87Å; I15-F79 HydrophobicContact CD1-CE1 3.68Å; I15-F84 HydrophobicContact CB-CE2 4.19Å; I15-F84 HydrophobicContact CB-CZ 4.4Å; I15-F84 HydrophobicContact CD1-CD2 3.98Å; I15-F84 HydrophobicContact CD1-CE2 4.21Å; I15-F84 HydrophobicContact CD1-CG 4.47Å; I15-F84 HydrophobicContact CG1-CD2 4.18Å; I15-F84 HydrophobicContact CG1-CE2 3.98Å; I15-F84 HydrophobicContact CG1-CZ 4.2Å; I15-F84 HydrophobicContact CG2-CD2 4.14Å; I15-F84 HydrophobicContact CG2-CE2 3.32Å; I15-F84 HydrophobicContact CG2-CZ 3.76Å; I15-F84 WeakPolarHBondContact O-CZ 3.47Å
16G92.7Very high89.5Confident0 Ų038.2 Ų38.20%019%0.194CC..EExtended strand (participates in β ladder)trans177157.717000000111.8V5V5-G16 PolarHBondContact N-O 2.94Å; V5-G16 PolarHBondContact O-N 3.49Å
17Y91.9Very high89.1Confident37 Ų3738.2 Ų38.215%0.14519%0.194CC..EExtended strand (participates in β ladder)trans-70.2153.2171.2-70.3-76.4000110.7A2 T3 L4 Q19 D20 F84 T91A2-Y17 HydrophobicContact CB-CD1 4.34Å; A2-Y17 HydrophobicContact CB-CE1 4.31Å; T3-Y17 WeakPolarHBondContact O-CA 3.45Å; L4-Y17 HydrophobicContact CB-CD1 4.31Å; L4-Y17 HydrophobicContact CB-CE1 4.19Å; L4-Y17 HydrophobicContact CD1-CD1 4.06Å; L4-Y17 HydrophobicContact CD1-CD2 4.38Å; L4-Y17 HydrophobicContact CD1-CE1 4Å; L4-Y17 HydrophobicContact CD1-CE2 4.31Å; L4-Y17 HydrophobicContact CD1-CG 4.26Å; Y17-Q19 PolarHBondContact O-N 3.37Å; Y17-D20 PolarHBondContact O-N 3.36Å; Y17-F84 HydrophobicContact CD2-CD1 4.07Å; Y17-F84 HydrophobicContact CE2-CB 4.31Å; Y17-F84 AromaticContact CE2-CD1 3.93Å; Y17-F84 HydrophobicContact CE2-CD1 3.93Å; Y17-T91 HydrophobicContact CE1-CG2 4.25Å
18S87.4Confident88.7Confident8 Ų837.9 Ų37.96%0.05619%0.192CC..THydrogen-bonded Turntrans-57.9-23.2179.4670000113.3T3 K364T3-S18 PolarHBondContact O-N 3.13Å; S18-K364 WeakPolarHBondContact O-CD 3.43Å; S18-K364 WeakPolarHBondContact O-CE 3.44Å; S18-K364 VanDerWaalsContact O-CG 3.25Å; S18-K364 WeakPolarHBondContact O-CG 3.47Å; S18-K364 PolarHBondContact O-NZ 2.99Å
19Q83.9Confident88.3Confident163 Ų16337.5 Ų37.576%0.76219%0.19SC*.THydrogen-bonded Turntrans-91.5-19.1177.2-62.3-177.73.200113.5Y17Y17-Q19 PolarHBondContact O-N 3.37Å
20D85.1Confident87.8Confident87 Ų8736.6 Ų36.647%0.46518%0.181SC..SBendtrans-94.6-176.8-171.5-74.1-30000112.9Y17 W360 K364Y17-D20 PolarHBondContact O-N 3.36Å; D20-W360 WeakPolarHBondContact O-CH2 3.33Å; D20-K364 PolarHBondContact O-NZ 3.3Å; D20-K364 VanDerWaalsContact O-NZ 3.13Å
21K85.9Confident87.3Confident186 Ų18640.8 Ų40.881%0.80919%0.194SC*.PPolyproline II helixtrans-86.2151168-67.1-176.3178.7-178.10110.1
22V90.8Very high86.5Confident36 Ų3640.8 Ų40.822%0.21820%0.195CC..PPolyproline II helixtrans-70.3136174.964.30000111.6K14 V24 C357 W360K14-V22 HydrophobicContact CB-CG2 3.75Å; V22-V24 HydrophobicContact CG2-CG2 4.47Å; V22-C357 HydrophobicContact CG1-CB 4.02Å; V22-W360 HydrophobicContact CB-CD2 3.61Å; V22-W360 HydrophobicContact CB-CE3 3.55Å; V22-W360 HydrophobicContact CB-CG 4.31Å; V22-W360 HydrophobicContact CB-CH2 3.86Å; V22-W360 HydrophobicContact CB-CZ2 3.92Å; V22-W360 HydrophobicContact CB-CZ3 3.68Å; V22-W360 HydrophobicContact CG1-CE3 4.25Å; V22-W360 HydrophobicContact CG1-CZ3 4.36Å; V22-W360 HydrophobicContact CG2-CB 4.38Å; V22-W360 HydrophobicContact CG2-CD2 3.56Å; V22-W360 HydrophobicContact CG2-CE3 3.98Å; V22-W360 HydrophobicContact CG2-CG 3.73Å; V22-W360 HydrophobicContact CG2-CZ2 4.39Å
23S89.9Confident85.4Confident47 Ų4741.5 Ų41.533%0.32920%0.201SC..EExtended strand (participates in β ladder)trans-102.5126.3165.2-64.70000109K14 I15K14-S23 WeakPolarHBondContact CA-O 3.5Å; I15-S23 PolarHBondContact N-O 3.45Å; I15-S23 PolarHBondContact O-N 2.95Å
24V89.4Confident84.2Confident60 Ų6046.4 Ų46.436%0.36423%0.231SC..EExtended strand (participates in β ladder)trans-101.9114.2178.2-1740000108.4W12 K14 V22W12-V24 HydrophobicContact CB-CG1 4.1Å; W12-V24 HydrophobicContact CD2-CG1 3.87Å; W12-V24 HydrophobicContact CE3-CG1 3.7Å; W12-V24 HydrophobicContact CG-CG1 4.04Å; W12-V24 HydrophobicContact CZ3-CG1 4.38Å; K14-V24 HydrophobicContact CG-CG1 4.26Å; K14-V24 HydrophobicContact CG-CG2 4.24Å; V22-V24 HydrophobicContact CG2-CG2 4.47Å
25I88.7Confident82.6Confident5 Ų548.2 Ų48.23%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-128.3139.6-169.3-63.1174.5000109.5W12 A13 I15 N27 A42 L78 M83W12-I25 CarbonylContact C-O 3.56Å; W12-I25 WeakPolarHBondContact CA-O 3.2Å; W12-I25 VanDerWaalsContact CE3-C 3.46Å; A13-I25 PolarHBondContact N-O 2.75Å; A13-I25 PolarHBondContact O-N 2.89Å; A13-I25 VanDerWaalsContact O-O 3.13Å; I15-I25 HydrophobicContact CG2-CD1 4.1Å; I25-N27 PolarHBondContact O-N 3.45Å; I25-A42 HydrophobicContact CG2-CB 3.29Å; I25-L78 HydrophobicContact CB-CD2 4.03Å; I25-L78 HydrophobicContact CD1-CD2 3.35Å; I25-L78 HydrophobicContact CG1-CD2 4.26Å; I25-L78 HydrophobicContact CG2-CD2 3.83Å; I25-M83 HydrophobicContact CD1-SD 4.43Å
26P86.8Confident80.7Confident8 Ų859.2 Ų59.25%0.05229%0.288CS..EExtended strand (participates in β ladder)trans-61.8125.4177.7-18.929.7000111.3Y11 W12 C28 F30 L45Y11-P26 CarbonylContact O-C 3.48Å; Y11-P26 WeakPolarHBondContact O-CA 3.49Å; W12-P26 HydrophobicContact CE3-CB 4.41Å; W12-P26 HydrophobicContact CE3-CG 4.22Å; W12-P26 HydrophobicContact CH2-CG 4.2Å; W12-P26 HydrophobicContact CZ3-CB 4.14Å; W12-P26 HydrophobicContact CZ3-CG 3.53Å; P26-C28 PolarHBondContact O-N 3.17Å; P26-F30 HydrophobicContact CB-CE2 3.95Å; P26-F30 HydrophobicContact CB-CZ 4.1Å; P26-F30 HydrophobicContact CG-CE2 4.23Å; P26-F30 HydrophobicContact CG-CZ 4.44Å; P26-L45 HydrophobicContact CG-CD1 3.87Å
27N86.6Confident79Confident0 Ų067.2 Ų67.20%033%0.329CS..  trans-84.560.7174-169.412.1000111N8 G9 Y11 A13 I25 P59 F60 Q71N8-N27 PolarHBondContact OD1-ND2 3.38Å; N8-N27 VanDerWaalsContact OD1-ND2 3.14Å; G9-N27 WeakPolarHBondContact O-CB 3.37Å; G9-N27 PolarHBondContact O-ND2 3.24Å; Y11-N27 PolarHBondContact O-N 3.43Å; A13-N27 HydrophobicContact CB-CB 3.97Å; I25-N27 PolarHBondContact O-N 3.45Å; N27-P59 WeakPolarHBondContact O-CD 3.4Å; N27-F60 WeakPolarHBondContact ND2-CE2 3.41Å; N27-Q71 PolarHBondContact ND2-OE1 3.26Å; N27-Q71 PolarHBondContact OD1-OE1 3.36Å
28C84.4Confident77.6Confident0 Ų071.7 Ų71.70%035%0.35CS..SBendtrans-157.6161-179.1640000112.6P26 F30 A42 I57 L58P26-C28 PolarHBondContact O-N 3.17Å; C28-F30 WeakPolarHBondContact SG-CE2 3.44Å; C28-F30 WeakPolarHBondContact SG-CZ 3.17Å; C28-A42 PolarHBondContact O-N 2.96Å; C28-I57 WeakPolarHBondContact CB-O 3.19Å; C28-L58 HydrophobicContact CB-CD2 3.76Å
29Q83.4Confident76.5Confident2 Ų274.1 Ų74.11%0.00936%0.364CS..EExtended strand (participates in β ladder)trans-99.9126.7166.9-79.7175.519.100110.3T39 Y56 I57 V70Q29-T39 HydrophobicContact CB-CG2 3.99Å; Q29-T39 HydrophobicContact CG-CG2 3.97Å; Q29-Y56 CarbonylContact O-C 3.53Å; Q29-Y56 VanDerWaalsContact O-CA 3.31Å; Q29-Y56 WeakPolarHBondContact O-CA 3.36Å; Q29-I57 PolarHBondContact N-O 3.12Å; Q29-I57 VanDerWaalsContact N-O 3.11Å; Q29-I57 PolarHBondContact O-N 3.34Å; Q29-V70 HydrophobicContact CB-CG1 4.28Å; Q29-V70 HydrophobicContact CG-CG1 4.01Å; Q29-V70 PolarHBondContact NE2-O 3.01Å
30F78.2Confident75.9Confident1 Ų167.7 Ų67.70%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-87.8129.8172.1-63.9-80.3000109.6P26 C28 F40 L45 I48 L54 Y56 Y200P26-F30 HydrophobicContact CB-CE2 3.95Å; P26-F30 HydrophobicContact CB-CZ 4.1Å; P26-F30 HydrophobicContact CG-CE2 4.23Å; P26-F30 HydrophobicContact CG-CZ 4.44Å; C28-F30 WeakPolarHBondContact SG-CE2 3.44Å; C28-F30 WeakPolarHBondContact SG-CZ 3.17Å; F30-F40 HydrophobicContact CB-CB 4.29Å; F30-F40 PolarHBondContact N-O 3.27Å; F30-F40 PolarHBondContact O-N 3.03Å; F30-L45 HydrophobicContact CD1-CD2 4Å; F30-L45 HydrophobicContact CD2-CD1 4.17Å; F30-L45 HydrophobicContact CD2-CD2 3.94Å; F30-L45 HydrophobicContact CD2-CG 3.77Å; F30-L45 HydrophobicContact CE1-CD1 4.43Å; F30-L45 HydrophobicContact CE1-CD2 3.89Å; F30-L45 HydrophobicContact CE1-CG 4.48Å; F30-L45 HydrophobicContact CE2-CD1 3.39Å; F30-L45 HydrophobicContact CE2-CD2 3.84Å; F30-L45 HydrophobicContact CE2-CG 3.53Å; F30-L45 HydrophobicContact CG-CD2 4.02Å; F30-L45 HydrophobicContact CG-CG 4.36Å; F30-L45 HydrophobicContact CZ-CD1 3.56Å; F30-L45 HydrophobicContact CZ-CD2 3.82Å; F30-L45 HydrophobicContact CZ-CG 3.92Å; F30-I48 HydrophobicContact CB-CD1 4.39Å; F30-L54 HydrophobicContact CB-CD2 4.3Å; F30-Y56 HydrophobicContact CE1-CD1 4.25Å; F30-Y56 HydrophobicContact CE1-CG 4.44Å; F30-Y200 HydrophobicContact CE1-CD2 4.1Å; F30-Y200 HydrophobicContact CE1-CE2 4.43Å
31R74.8Confident75.1Confident101 Ų10164.4 Ų64.438%0.38132%0.317SS..EExtended strand (participates in β ladder)trans-122136.8170.3-68.7-162.4-177.3172.92.7109.5T39 F55 I57R31-T39 HydrophobicContact CG-CG2 4.49Å; R31-F55 HydrophobicContact CB-CE1 3.91Å; R31-F55 HydrophobicContact CB-CE2 4Å; R31-F55 HydrophobicContact CB-CZ 3.61Å; R31-F55 PolarHBondContact N-O 2.88Å; R31-F55 VanDerWaalsContact O-CD1 3.31Å; R31-F55 WeakPolarHBondContact O-CD1 3.39Å; R31-F55 PolarHBondContact O-N 3.41Å; R31-I57 HydrophobicContact CG-CD1 4.04Å
32S71.6Confident74.1Confident11 Ų1155.5 Ų55.58%0.07728%0.278CS..EExtended strand (participates in β ladder)trans-91.9132.1172.21680000109.5T34 S35S32-T34 VanDerWaalsContact C-N 3.33Å; S32-T34 PolarHBondContact OG-N 3.32Å; S32-T34 PolarHBondContact OG-OG1 2.88Å; S32-S35 PolarHBondContact OG-N 3.4Å; S32-S35 VanDerWaalsContact OG-N 3.08Å
33K66.3Low73Confident99 Ų9957.6 Ų57.643%0.4329%0.288SS..SBendtrans-67.6-34.3172.6-74.3-172.3-177.1-176.70112.2G53 F55 D197K33-G53 PolarHBondContact N-O 3.15Å; K33-F55 HydrophobicContact CG-CD1 3.76Å; K33-F55 HydrophobicContact CG-CE1 3.59Å; K33-D197 IonicContact NZ-OD1 2.77Å; K33-D197 PolarHBondContact NZ-OD1 3.09Å; K33-D197 IonicContact NZ-OD2 2.84Å; K33-D197 PolarHBondContact NZ-OD2 3.07Å
34T63.4Low72Confident104 Ų10457.4 Ų57.464%0.63828%0.282SS*.SBendtrans-78.8-37-177.133.80000112.2S32S32-T34 VanDerWaalsContact C-N 3.33Å; S32-T34 PolarHBondContact OG-N 3.32Å; S32-T34 PolarHBondContact OG-OG1 2.88Å
35S60Low70.9Confident58 Ų5856.1 Ų56.141%0.40627%0.273SS..SBendtrans-101.781.1174.4-157.20000110.9S32 L37 K38S32-S35 PolarHBondContact OG-N 3.4Å; S32-S35 VanDerWaalsContact OG-N 3.08Å; S35-L37 PolarHBondContact O-N 3.49Å; S35-K38 PolarHBondContact O-N 3.3Å
36R54.5Low69.6Low231 Ų23162.9 Ų62.987%0.87231%0.309SS*.THydrogen-bonded Turntrans-55.93-171.8-84.1-174174.5179.9-1.8117.6
37L56Low68.4Low167 Ų16768.8 Ų68.887%0.87434%0.336SS*.THydrogen-bonded Turntrans-136.1-4.6-171.8-69.5168.9000115.9S35S35-L37 PolarHBondContact O-N 3.49Å
38K61.8Low67.4Low132 Ų13269.6 Ų69.657%0.57434%0.34SS*.  trans-105.3117.7178.2-71.9-170.8176.1-172.20111S35 F40S35-K38 PolarHBondContact O-N 3.3Å; K38-F40 HydrophobicContact CB-CE2 3.72Å; K38-F40 HydrophobicContact CB-CZ 3.75Å; K38-F40 HydrophobicContact CD-CZ 4.08Å
39T64.6Low66.3Low59 Ų5979.4 Ų79.436%0.36238%0.383SS..EExtended strand (participates in β ladder)trans-97.2128.7168.8-55.20000107Q29 R31Q29-T39 HydrophobicContact CB-CG2 3.99Å; Q29-T39 HydrophobicContact CG-CG2 3.97Å; R31-T39 HydrophobicContact CG-CG2 4.49Å
40F71.3Confident65.4Low28 Ų2882.9 Ų82.912%0.12340%0.401CS..EExtended strand (participates in β ladder)trans-110132.6175.3-57.5-88.1000107.8F30 K38 Q44 I48F30-F40 HydrophobicContact CB-CB 4.29Å; F30-F40 PolarHBondContact N-O 3.27Å; F30-F40 PolarHBondContact O-N 3.03Å; K38-F40 HydrophobicContact CB-CE2 3.72Å; K38-F40 HydrophobicContact CB-CZ 3.75Å; K38-F40 HydrophobicContact CD-CZ 4.08Å; F40-Q44 HydrophobicContact CB-CB 4.16Å; F40-Q44 HydrophobicContact CD1-CB 4.29Å; F40-I48 HydrophobicContact CB-CD1 4.08Å; F40-I48 HydrophobicContact CB-CG1 4.37Å; F40-I48 HydrophobicContact CD1-CG1 3.92Å; F40-I48 HydrophobicContact CD2-CD1 3.84Å; F40-I48 HydrophobicContact CD2-CG1 3.86Å; F40-I48 HydrophobicContact CE1-CG1 4.1Å; F40-I48 HydrophobicContact CE2-CD1 4.4Å; F40-I48 HydrophobicContact CE2-CG1 4.05Å; F40-I48 HydrophobicContact CG-CD1 3.9Å; F40-I48 HydrophobicContact CG-CG1 3.78Å; F40-I48 HydrophobicContact CZ-CG1 4.16Å
41T68.4Low64.7Low17 Ų1783.9 Ų83.910%0.10441%0.408CS..EExtended strand (participates in β ladder)trans-108.4135.4-177.1-50.90000109.1N43 Q44 V74 H77T41-N43 PolarHBondContact O-N 2.94Å; T41-Q44 PolarHBondContact O-N 3.18Å; T41-V74 HydrophobicContact CG2-CB 4.34Å; T41-V74 HydrophobicContact CG2-CG2 3.87Å; T41-H77 HydrophobicContact CG2-CB 4.01Å
42A65.2Low64.2Low0 Ų081.1 Ų81.10%041%0.405CS..THydrogen-bonded Turntrans57-105163.400000114.1I25 C28I25-A42 HydrophobicContact CG2-CB 3.29Å; C28-A42 PolarHBondContact O-N 2.96Å
43N68.3Low63.9Low80 Ų8081.3 Ų81.343%0.42841%0.408SS..THydrogen-bonded Turntrans-87.4-2.6-170.4-156.319.8000113.6T41 L45 M83T41-N43 PolarHBondContact O-N 2.94Å; N43-L45 PolarHBondContact O-N 3.21Å; N43-L45 VanDerWaalsContact O-N 3.14Å; N43-M83 HydrophobicContact CB-CE 4.47Å
44Q68.3Low64.2Low42 Ų4276.7 Ų76.720%0.19639%0.388CS..G310 helixtrans-77.69.6-179.5-65.5172.3-24.700113.8F40 T41 D46 E47F40-Q44 HydrophobicContact CB-CB 4.16Å; F40-Q44 HydrophobicContact CD1-CB 4.29Å; T41-Q44 PolarHBondContact O-N 3.18Å; Q44-D46 PolarHBondContact O-N 3.45Å; Q44-E47 WeakPolarHBondContact O-CB 3.34Å; Q44-E47 PolarHBondContact O-N 3.24Å; Q44-E47 VanDerWaalsContact O-N 3.14Å
45L65.5Low64.6Low34 Ų3475 Ų7518%0.17837%0.372CS..G310 helixtrans-56.9-37.5175.4-87.8154.5000112.2P26 F30 N43 E47 I48 L54 Y200P26-L45 HydrophobicContact CG-CD1 3.87Å; F30-L45 HydrophobicContact CD1-CD2 4Å; F30-L45 HydrophobicContact CD2-CD1 4.17Å; F30-L45 HydrophobicContact CD2-CD2 3.94Å; F30-L45 HydrophobicContact CD2-CG 3.77Å; F30-L45 HydrophobicContact CE1-CD1 4.43Å; F30-L45 HydrophobicContact CE1-CD2 3.89Å; F30-L45 HydrophobicContact CE1-CG 4.48Å; F30-L45 HydrophobicContact CE2-CD1 3.39Å; F30-L45 HydrophobicContact CE2-CD2 3.84Å; F30-L45 HydrophobicContact CE2-CG 3.53Å; F30-L45 HydrophobicContact CG-CD2 4.02Å; F30-L45 HydrophobicContact CG-CG 4.36Å; F30-L45 HydrophobicContact CZ-CD1 3.56Å; F30-L45 HydrophobicContact CZ-CD2 3.82Å; F30-L45 HydrophobicContact CZ-CG 3.92Å; N43-L45 PolarHBondContact O-N 3.21Å; N43-L45 VanDerWaalsContact O-N 3.14Å; L45-E47 PolarHBondContact O-N 3.39Å; L45-I48 HydrophobicContact CD2-CD1 4.14Å; L45-I48 WeakPolarHBondContact O-CB 3.26Å; L45-I48 WeakPolarHBondContact O-CG1 3.43Å; L45-I48 PolarHBondContact O-N 3.13Å; L45-I48 VanDerWaalsContact O-N 3.13Å; L45-L54 HydrophobicContact CD2-CD1 4.44Å; L45-Y200 HydrophobicContact CD2-CE2 4.38Å
46D61.9Low65.5Low147 Ų14773.8 Ų73.879%0.78636%0.359SS*.G310 helixtrans-69.4-20.6-179.4-70.5-24.3000113Q44 I48Q44-D46 PolarHBondContact O-N 3.45Å; D46-I48 VanDerWaalsContact C-N 3.27Å
47E62.1Low66.8Low131 Ų13164.7 Ų64.761%0.61233%0.327SS*.G310 helixtrans-80.5-10.2175.9-57.6-172.5168.600112.8Q44 L45 K49Q44-E47 WeakPolarHBondContact O-CB 3.34Å; Q44-E47 PolarHBondContact O-N 3.24Å; Q44-E47 VanDerWaalsContact O-N 3.14Å; L45-E47 PolarHBondContact O-N 3.39Å; E47-K49 PolarHBondContact O-N 2.83Å
48I66.3Low68.2Low18 Ų1857.6 Ų57.69%0.09229%0.289CS..  trans-77.9108-178.5-53.2177.6000109F30 F40 L45 D46 D50 P51 L54F30-I48 HydrophobicContact CB-CD1 4.39Å; F40-I48 HydrophobicContact CB-CD1 4.08Å; F40-I48 HydrophobicContact CB-CG1 4.37Å; F40-I48 HydrophobicContact CD1-CG1 3.92Å; F40-I48 HydrophobicContact CD2-CD1 3.84Å; F40-I48 HydrophobicContact CD2-CG1 3.86Å; F40-I48 HydrophobicContact CE1-CG1 4.1Å; F40-I48 HydrophobicContact CE2-CD1 4.4Å; F40-I48 HydrophobicContact CE2-CG1 4.05Å; F40-I48 HydrophobicContact CG-CD1 3.9Å; F40-I48 HydrophobicContact CG-CG1 3.78Å; F40-I48 HydrophobicContact CZ-CG1 4.16Å; L45-I48 HydrophobicContact CD2-CD1 4.14Å; L45-I48 WeakPolarHBondContact O-CB 3.26Å; L45-I48 WeakPolarHBondContact O-CG1 3.43Å; L45-I48 PolarHBondContact O-N 3.13Å; L45-I48 VanDerWaalsContact O-N 3.13Å; D46-I48 VanDerWaalsContact C-N 3.27Å; I48-D50 WeakPolarHBondContact CG2-O 3.38Å; I48-P51 HydrophobicContact CG2-CB 4.23Å; I48-L54 HydrophobicContact CD1-CD1 3.79Å; I48-L54 HydrophobicContact CD1-CD2 3.95Å; I48-L54 HydrophobicContact CG2-CD1 4.28Å; I48-L54 HydrophobicContact CG2-CD2 4.46Å
49K60.4Low69.4Low205 Ų20551.3 Ų51.389%0.89126%0.262SS*.SBendtrans-68.2-33.8178.7-67.5-172.7178.9-174.90113.5E47E47-K49 PolarHBondContact O-N 2.83Å
50D63.6Low70.5Confident75 Ų7548.9 Ų48.940%0.40125%0.247SC..  trans-13595.2177.5-177.515.6000109.7I48 S52I48-D50 WeakPolarHBondContact CG2-O 3.38Å; D50-S52 PolarHBondContact O-N 2.97Å; D50-S52 WeakPolarHBondContact OD1-CB 3.49Å; D50-S52 PolarHBondContact OD1-N 2.9Å; D50-S52 PolarHBondContact OD1-OG 3.02Å
51P65.6Low71.2Confident23 Ų2352.8 Ų52.815%0.14927%0.265CS..  trans-777.4175.433.3-41.1000114I48 G53 L54 F241I48-P51 HydrophobicContact CG2-CB 4.23Å; P51-G53 PolarHBondContact O-N 3.31Å; P51-L54 VanDerWaalsContact CA-CD1 3.44Å; P51-L54 HydrophobicContact CB-CD1 3.23Å; P51-L54 HydrophobicContact CB-CG 3.97Å; P51-L54 WeakPolarHBondContact O-CB 3.46Å; P51-L54 VanDerWaalsContact O-CG 3.23Å; P51-L54 WeakPolarHBondContact O-CG 3.35Å; P51-L54 PolarHBondContact O-N 2.67Å; P51-L54 VanDerWaalsContact O-N 3.17Å; P51-F241 HydrophobicContact CB-CD1 4.21Å; P51-F241 HydrophobicContact CB-CE1 3.98Å; P51-F241 HydrophobicContact CB-CZ 4.25Å; P51-F241 HydrophobicContact CG-CB 3.99Å; P51-F241 HydrophobicContact CG-CD1 3.04Å; P51-F241 HydrophobicContact CG-CD2 4.08Å; P51-F241 HydrophobicContact CG-CE1 3.26Å; P51-F241 HydrophobicContact CG-CE2 4.27Å; P51-F241 HydrophobicContact CG-CG 3.45Å; P51-F241 VanDerWaalsContact CG-CG 3.45Å; P51-F241 HydrophobicContact CG-CZ 3.87Å
52S63.4Low71.7Confident43 Ų4360.4 Ų60.430%0.30130%0.297SS..THydrogen-bonded Turntrans-60.1126.1175.6-54.80000111.4D50 L54 F241D50-S52 PolarHBondContact O-N 2.97Å; D50-S52 WeakPolarHBondContact OD1-CB 3.49Å; D50-S52 PolarHBondContact OD1-N 2.9Å; D50-S52 PolarHBondContact OD1-OG 3.02Å; S52-L54 VanDerWaalsContact C-N 3.31Å; S52-L54 PolarHBondContact O-N 2.79Å; S52-F241 VanDerWaalsContact OG-CD2 3.28Å; S52-F241 WeakPolarHBondContact OG-CD2 2.98Å
53G65.2Low72.3Confident14 Ų1460.4 Ų60.414%0.14430%0.297CS..THydrogen-bonded Turntrans67.429-178.300000114K33 P51K33-G53 PolarHBondContact N-O 3.15Å; P51-G53 PolarHBondContact O-N 3.31Å
54L72.1Confident73.2Confident2 Ų259.1 Ų59.11%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-69.8127.2167.5-79.8177.4000110.6F30 L45 I48 P51 S52F30-L54 HydrophobicContact CB-CD2 4.3Å; L45-L54 HydrophobicContact CD2-CD1 4.44Å; I48-L54 HydrophobicContact CD1-CD1 3.79Å; I48-L54 HydrophobicContact CD1-CD2 3.95Å; I48-L54 HydrophobicContact CG2-CD1 4.28Å; I48-L54 HydrophobicContact CG2-CD2 4.46Å; P51-L54 VanDerWaalsContact CA-CD1 3.44Å; P51-L54 HydrophobicContact CB-CD1 3.23Å; P51-L54 HydrophobicContact CB-CG 3.97Å; P51-L54 WeakPolarHBondContact O-CB 3.46Å; P51-L54 VanDerWaalsContact O-CG 3.23Å; P51-L54 WeakPolarHBondContact O-CG 3.35Å; P51-L54 PolarHBondContact O-N 2.67Å; P51-L54 VanDerWaalsContact O-N 3.17Å; S52-L54 VanDerWaalsContact C-N 3.31Å; S52-L54 PolarHBondContact O-N 2.79Å
55F71.8Confident74.1Confident69 Ų6957.3 Ų57.330%0.30328%0.278SS..EExtended strand (participates in β ladder)trans-121.9144.2164.665-80.3000108.9R31 K33 I57R31-F55 HydrophobicContact CB-CE1 3.91Å; R31-F55 HydrophobicContact CB-CE2 4Å; R31-F55 HydrophobicContact CB-CZ 3.61Å; R31-F55 PolarHBondContact N-O 2.88Å; R31-F55 VanDerWaalsContact O-CD1 3.31Å; R31-F55 WeakPolarHBondContact O-CD1 3.39Å; R31-F55 PolarHBondContact O-N 3.41Å; K33-F55 HydrophobicContact CG-CD1 3.76Å; K33-F55 HydrophobicContact CG-CE1 3.59Å; F55-I57 HydrophobicContact CD2-CG1 4.28Å; F55-I57 HydrophobicContact CE2-CD1 4.26Å; F55-I57 HydrophobicContact CE2-CG1 4.03Å
56Y78.5Confident75.3Confident33 Ų3359.8 Ų59.813%0.12930%0.295CS..EExtended strand (participates in β ladder)trans-98.2138.8175.453.2-101.6000110.2Q29 F30 L58 T199Q29-Y56 CarbonylContact O-C 3.53Å; Q29-Y56 VanDerWaalsContact O-CA 3.31Å; Q29-Y56 WeakPolarHBondContact O-CA 3.36Å; F30-Y56 HydrophobicContact CE1-CD1 4.25Å; F30-Y56 HydrophobicContact CE1-CG 4.44Å; Y56-L58 HydrophobicContact CD2-CD1 4.26Å; Y56-L58 HydrophobicContact CD2-CD2 3.59Å; Y56-L58 HydrophobicContact CD2-CG 3.68Å; Y56-L58 HydrophobicContact CE2-CD1 3.86Å; Y56-L58 HydrophobicContact CE2-CD2 3.86Å; Y56-L58 HydrophobicContact CE2-CG 3.82Å; Y56-T199 HydrophobicContact CE1-CG2 3.85Å; Y56-T199 WeakPolarHBondContact OH-CG2 3.23Å
57I82.8Confident76.6Confident39 Ų3955 Ų5520%0.227%0.27CS..EExtended strand (participates in β ladder)trans-98.5118.1170-55.8175.1000106.5C28 Q29 R31 F55 V70C28-I57 WeakPolarHBondContact CB-O 3.19Å; Q29-I57 PolarHBondContact N-O 3.12Å; Q29-I57 VanDerWaalsContact N-O 3.11Å; Q29-I57 PolarHBondContact O-N 3.34Å; R31-I57 HydrophobicContact CG-CD1 4.04Å; F55-I57 HydrophobicContact CD2-CG1 4.28Å; F55-I57 HydrophobicContact CE2-CD1 4.26Å; F55-I57 HydrophobicContact CE2-CG1 4.03Å; I57-V70 HydrophobicContact CG2-CG2 3.87Å
58L85.5Confident78Confident18 Ų1851.2 Ų51.29%0.09425%0.249CC..PPolyproline II helixtrans-89.2137.5177.3-60.7175.3000110.1Y11 C28 Y56 F60 F152Y11-L58 HydrophobicContact CD2-CD2 4.41Å; C28-L58 HydrophobicContact CB-CD2 3.76Å; Y56-L58 HydrophobicContact CD2-CD1 4.26Å; Y56-L58 HydrophobicContact CD2-CD2 3.59Å; Y56-L58 HydrophobicContact CD2-CG 3.68Å; Y56-L58 HydrophobicContact CE2-CD1 3.86Å; Y56-L58 HydrophobicContact CE2-CD2 3.86Å; Y56-L58 HydrophobicContact CE2-CG 3.82Å; L58-F60 VanDerWaalsContact C-N 3.26Å; L58-F152 HydrophobicContact CD1-CE1 3.53Å; L58-F152 HydrophobicContact CD1-CZ 4.04Å
59P87.6Confident79.1Confident0 Ų055.7 Ų55.70%027%0.274CS..SBendtrans-68.9-31.2170.122.3-23.1000111.6N27 L65 V66 N67 V70 Q71N27-P59 WeakPolarHBondContact O-CD 3.4Å; P59-L65 HydrophobicContact CB-CD1 3.73Å; P59-V66 PolarHBondContact O-N 3.16Å; P59-V66 VanDerWaalsContact O-N 3.16Å; P59-N67 PolarHBondContact O-N 3.24Å; P59-N67 VanDerWaalsContact O-N 3.15Å; P59-V70 HydrophobicContact CB-CB 4.24Å; P59-V70 HydrophobicContact CB-CG1 4.07Å; P59-V70 HydrophobicContact CG-CG1 4.19Å; P59-Q71 HydrophobicContact CB-CB 3.86Å
60F87.8Confident80.4Confident9 Ų946.2 Ų46.24%0.03923%0.233CC..EExtended strand (participates in β ladder)trans-90.1132.5179.4-71.4-91.8000113.1A10 N27 L58 Y64 L65A10-F60 HydrophobicContact CB-CB 3.72Å; A10-F60 HydrophobicContact CB-CD2 4.26Å; A10-F60 HydrophobicContact CB-CG 3.96Å; N27-F60 WeakPolarHBondContact ND2-CE2 3.41Å; L58-F60 VanDerWaalsContact C-N 3.26Å; F60-Y64 CarbonylContact C-O 3.54Å; F60-Y64 VanDerWaalsContact CA-O 3.26Å; F60-Y64 WeakPolarHBondContact CA-O 3.46Å; F60-L65 HydrophobicContact CD1-CB 4.2Å; F60-L65 HydrophobicContact CD2-CD1 4.44Å; F60-L65 HydrophobicContact CE1-CB 3.82Å; F60-L65 HydrophobicContact CE2-CD1 4.2Å; F60-L65 HydrophobicContact CZ-CB 4.18Å; F60-L65 HydrophobicContact CZ-CD1 4.28Å
61Q84.4Confident81.8Confident110 Ų11042.6 Ų42.651%0.51421%0.214SC..EExtended strand (participates in β ladder)trans-125.4126.3169.8-64-169.91.900110G63 Y64 V66Q61-G63 PolarHBondContact O-N 3.19Å; Q61-G63 VanDerWaalsContact O-N 3.07Å; Q61-Y64 PolarHBondContact N-O 3.26Å; Q61-Y64 PolarHBondContact O-N 2.8Å; Q61-V66 HydrophobicContact CB-CG2 4.16Å
62K79.6Confident82.9Confident176 Ų17645.7 Ų45.777%0.76522%0.222SC*.THydrogen-bonded Turntrans5131.6-176.2-59.6-176.8176.1-176.90113.3Y64 R172K62-Y64 WeakPolarHBondContact O-CD2 3.41Å; K62-R172 PolarHBondContact O-NH2 3.47Å
63G77.9Confident84.1Confident1 Ų148.6 Ų48.61%0.0123%0.23CC..THydrogen-bonded Turntrans86.5-5.1-179.100000116Q61 P98 F154Q61-G63 PolarHBondContact O-N 3.19Å; Q61-G63 VanDerWaalsContact O-N 3.07Å; G63-P98 WeakPolarHBondContact O-CG 3.46Å; G63-F154 VanDerWaalsContact CA-CE1 3.45Å
64Y86.4Confident85.3Confident52 Ų5248 Ų4820%0.20422%0.223CC..EExtended strand (participates in β ladder)trans-104.1144.6177.9-61.7-79.1000111.1F60 Q61 K62 V66 F102 I105 R172F60-Y64 CarbonylContact C-O 3.54Å; F60-Y64 VanDerWaalsContact CA-O 3.26Å; F60-Y64 WeakPolarHBondContact CA-O 3.46Å; Q61-Y64 PolarHBondContact N-O 3.26Å; Q61-Y64 PolarHBondContact O-N 2.8Å; K62-Y64 WeakPolarHBondContact O-CD2 3.41Å; Y64-V66 PolarHBondContact O-N 3.29Å; Y64-F102 AromaticContact CD1-CD2 3.91Å; Y64-F102 HydrophobicContact CD1-CD2 3.91Å; Y64-F102 AromaticContact CD1-CE2 3.82Å; Y64-F102 HydrophobicContact CD1-CE2 3.82Å; Y64-F102 HydrophobicContact CD2-CE2 4.46Å; Y64-F102 HydrophobicContact CE1-CD2 4.1Å; Y64-F102 AromaticContact CE1-CE2 3.82Å; Y64-F102 HydrophobicContact CE1-CE2 3.82Å; Y64-F102 HydrophobicContact CE1-CZ 4.32Å; Y64-F102 HydrophobicContact CE2-CE2 4.46Å; Y64-F102 HydrophobicContact CG-CD2 4.5Å; Y64-F102 HydrophobicContact CG-CE2 4.14Å; Y64-I105 HydrophobicContact CD1-CD1 4.43Å; Y64-R172 PolarHBondContact OH-NH1 2.9Å
65L88.7Confident86.2Confident4 Ų447.9 Ų47.92%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-78.6106.9175.7-17855.6000109.3P59 F60 W68 Q71 I105 M109P59-L65 HydrophobicContact CB-CD1 3.73Å; F60-L65 HydrophobicContact CD1-CB 4.2Å; F60-L65 HydrophobicContact CD2-CD1 4.44Å; F60-L65 HydrophobicContact CE1-CB 3.82Å; F60-L65 HydrophobicContact CE2-CD1 4.2Å; F60-L65 HydrophobicContact CZ-CB 4.18Å; F60-L65 HydrophobicContact CZ-CD1 4.28Å; L65-W68 HydrophobicContact CD2-CD2 4.06Å; L65-W68 HydrophobicContact CD2-CE3 3.72Å; L65-W68 HydrophobicContact CD2-CH2 3.3Å; L65-W68 HydrophobicContact CD2-CZ2 3.64Å; L65-W68 HydrophobicContact CD2-CZ3 3.33Å; L65-W68 HydrophobicContact CG-CD2 4.2Å; L65-W68 HydrophobicContact CG-CE3 4.3Å; L65-W68 HydrophobicContact CG-CH2 4.26Å; L65-W68 HydrophobicContact CG-CZ2 4.13Å; L65-W68 HydrophobicContact CG-CZ3 4.34Å; L65-Q71 HydrophobicContact CD1-CB 3.84Å; L65-Q71 HydrophobicContact CD1-CG 3.95Å; L65-Q71 HydrophobicContact CD2-CG 4.07Å; L65-I105 HydrophobicContact CB-CG2 4.13Å; L65-M109 HydrophobicContact CD2-CE 3.89Å
66V89.2Confident87Confident86 Ų8648.5 Ų48.552%0.52123%0.229SC..  trans-110.4-37.3-176.5-179.40000111.1P59 Q61 Y64P59-V66 PolarHBondContact O-N 3.16Å; P59-V66 VanDerWaalsContact O-N 3.16Å; Q61-V66 HydrophobicContact CB-CG2 4.16Å; Y64-V66 PolarHBondContact O-N 3.29Å
67N90.9Very high87.4Confident48 Ų4848.1 Ų48.126%0.25723%0.228SC..  trans-103.788.4-176.8-170.8-20.2000111P59 D69 V70 Q71P59-N67 PolarHBondContact O-N 3.24Å; P59-N67 VanDerWaalsContact O-N 3.15Å; N67-D69 VanDerWaalsContact C-N 3.34Å; N67-D69 PolarHBondContact OD1-N 3.33Å; N67-V70 WeakPolarHBondContact ND2-CG2 3.21Å; N67-V70 PolarHBondContact O-N 3.36Å; N67-V70 PolarHBondContact OD1-N 2.79Å; N67-Q71 PolarHBondContact O-N 3.37Å
68W89.8Confident87.7Confident50 Ų5046.2 Ų46.219%0.18922%0.218CC..Hα-helixtrans-64.8-33.8178.2-75108.4000113.4L65 V70 Q71 R72 W75 I105 M109 I112L65-W68 HydrophobicContact CD2-CD2 4.06Å; L65-W68 HydrophobicContact CD2-CE3 3.72Å; L65-W68 HydrophobicContact CD2-CH2 3.3Å; L65-W68 HydrophobicContact CD2-CZ2 3.64Å; L65-W68 HydrophobicContact CD2-CZ3 3.33Å; L65-W68 HydrophobicContact CG-CD2 4.2Å; L65-W68 HydrophobicContact CG-CE3 4.3Å; L65-W68 HydrophobicContact CG-CH2 4.26Å; L65-W68 HydrophobicContact CG-CZ2 4.13Å; L65-W68 HydrophobicContact CG-CZ3 4.34Å; W68-V70 VanDerWaalsContact C-N 3.25Å; W68-V70 PolarHBondContact O-N 2.74Å; W68-Q71 PolarHBondContact O-N 2.78Å; W68-R72 WeakPolarHBondContact O-CB 2.93Å; W68-R72 WeakPolarHBondContact O-CG 3.49Å; W68-R72 PolarHBondContact O-N 3.07Å; W68-W75 HydrophobicContact CZ3-CH2 4.06Å; W68-W75 HydrophobicContact CZ3-CZ3 4.05Å; W68-I105 HydrophobicContact CZ2-CG2 3.94Å; W68-M109 HydrophobicContact CH2-CB 3.83Å; W68-M109 HydrophobicContact CH2-CE 3.99Å; W68-M109 HydrophobicContact CH2-CG 4.26Å; W68-I112 HydrophobicContact CD2-CD1 4.1Å; W68-I112 HydrophobicContact CE3-CD1 3.39Å; W68-I112 HydrophobicContact CH2-CD1 4.17Å; W68-I112 HydrophobicContact CZ3-CD1 3.43Å; W68-I112 VanDerWaalsContact CZ3-CD1 3.43Å
69D89.6Confident87.9Confident112 Ų11245.6 Ų45.660%0.59922%0.215SC*.Hα-helixtrans-61.3-37.1178.7-64-34.4000112.2N67 K73N67-D69 VanDerWaalsContact C-N 3.34Å; N67-D69 PolarHBondContact OD1-N 3.33Å; D69-K73 WeakPolarHBondContact O-CD 3.37Å; D69-K73 WeakPolarHBondContact O-CG 3.25Å; D69-K73 PolarHBondContact O-N 3.32Å
70V89.2Confident87.7Confident6 Ų646.7 Ų46.74%0.03623%0.226CC..Hα-helixtrans-72.1-45.6176.6172.50000110.4Q29 I57 P59 N67 W68 K73 V74Q29-V70 HydrophobicContact CB-CG1 4.28Å; Q29-V70 HydrophobicContact CG-CG1 4.01Å; Q29-V70 PolarHBondContact NE2-O 3.01Å; I57-V70 HydrophobicContact CG2-CG2 3.87Å; P59-V70 HydrophobicContact CB-CB 4.24Å; P59-V70 HydrophobicContact CB-CG1 4.07Å; P59-V70 HydrophobicContact CG-CG1 4.19Å; N67-V70 WeakPolarHBondContact ND2-CG2 3.21Å; N67-V70 PolarHBondContact O-N 3.36Å; N67-V70 PolarHBondContact OD1-N 2.79Å; W68-V70 VanDerWaalsContact C-N 3.25Å; W68-V70 PolarHBondContact O-N 2.74Å; V70-K73 PolarHBondContact O-N 3.24Å; V70-V74 WeakPolarHBondContact O-CG2 3.45Å; V70-V74 PolarHBondContact O-N 3.39Å; V70-V74 VanDerWaalsContact O-N 3.07Å
71Q91.4Very high87Confident0 Ų054.8 Ų54.80%026%0.262CS..Hα-helixtrans-62.8-46.5-178.6-172.27113.900112.2N8 N27 P59 L65 N67 W68 K73 V74 W75N8-Q71 VanDerWaalsContact CG-NE2 3.33Å; N8-Q71 PolarHBondContact ND2-NE2 3.49Å; N8-Q71 VanDerWaalsContact ND2-NE2 3.13Å; N8-Q71 PolarHBondContact OD1-NE2 2.92Å; N27-Q71 PolarHBondContact ND2-OE1 3.26Å; N27-Q71 PolarHBondContact OD1-OE1 3.36Å; P59-Q71 HydrophobicContact CB-CB 3.86Å; L65-Q71 HydrophobicContact CD1-CB 3.84Å; L65-Q71 HydrophobicContact CD1-CG 3.95Å; L65-Q71 HydrophobicContact CD2-CG 4.07Å; N67-Q71 PolarHBondContact O-N 3.37Å; W68-Q71 PolarHBondContact O-N 2.78Å; Q71-K73 PolarHBondContact O-N 3Å; Q71-V74 WeakPolarHBondContact O-CB 3.48Å; Q71-V74 PolarHBondContact O-N 3Å; Q71-V74 VanDerWaalsContact O-N 3.09Å; Q71-W75 HydrophobicContact CG-CD2 4.02Å; Q71-W75 HydrophobicContact CG-CE3 4.3Å; Q71-W75 HydrophobicContact CG-CH2 4.22Å; Q71-W75 HydrophobicContact CG-CZ2 3.87Å; Q71-W75 HydrophobicContact CG-CZ3 4.42Å; Q71-W75 PolarHBondContact O-N 2.91Å
72R90Very high86.3Confident88 Ų8856.3 Ų56.333%0.33227%0.268SS..Hα-helixtrans-58-47.6178.3-73.5178.372.1-155.36.6111.3W68 V74 W75 D76 I112 E116W68-R72 WeakPolarHBondContact O-CB 2.93Å; W68-R72 WeakPolarHBondContact O-CG 3.49Å; W68-R72 PolarHBondContact O-N 3.07Å; R72-V74 VanDerWaalsContact C-N 3.29Å; R72-V74 PolarHBondContact O-N 3.04Å; R72-W75 CarbonylContact O-C 3.56Å; R72-W75 PolarHBondContact O-N 3.41Å; R72-W75 VanDerWaalsContact O-N 3.11Å; R72-D76 WeakPolarHBondContact O-CB 3.21Å; R72-D76 PolarHBondContact O-N 2.97Å; R72-I112 HydrophobicContact CG-CD1 4.41Å; R72-E116 IonicContact CZ-OE1 3.78Å; R72-E116 IonicContact CZ-OE2 2.76Å; R72-E116 IonicContact NE-OE1 2.92Å; R72-E116 IonicContact NE-OE2 2.85Å; R72-E116 PolarHBondContact NE-OE2 3.13Å; R72-E116 VanDerWaalsContact NH2-CD 3.25Å; R72-E116 IonicContact NH2-OE1 3.68Å; R72-E116 PolarHBondContact NH2-OE1 2.93Å; R72-E116 VanDerWaalsContact NH2-OE1 3.13Å; R72-E116 IonicContact NH2-OE2 3.64Å; R72-E116 PolarHBondContact NH2-OE2 3.49Å
73K88.8Confident86.3Confident104 Ų10451.2 Ų51.245%0.45225%0.248SC..Hα-helixtrans-61.1-35.6175.6-76.1172.6179.3174.20113.4D69 V70 Q71 H77D69-K73 WeakPolarHBondContact O-CD 3.37Å; D69-K73 WeakPolarHBondContact O-CG 3.25Å; D69-K73 PolarHBondContact O-N 3.32Å; V70-K73 PolarHBondContact O-N 3.24Å; Q71-K73 PolarHBondContact O-N 3Å; K73-H77 PolarHBondContact O-N 3.48Å
74V88.9Confident86.5Confident0 Ų052.6 Ų52.60%025%0.254CS..Hα-helixtrans-66-48.5173.2173.20000109.6T41 V70 Q71 R72 D76 H77 L78T41-V74 HydrophobicContact CG2-CB 4.34Å; T41-V74 HydrophobicContact CG2-CG2 3.87Å; V70-V74 WeakPolarHBondContact O-CG2 3.45Å; V70-V74 PolarHBondContact O-N 3.39Å; V70-V74 VanDerWaalsContact O-N 3.07Å; Q71-V74 WeakPolarHBondContact O-CB 3.48Å; Q71-V74 PolarHBondContact O-N 3Å; Q71-V74 VanDerWaalsContact O-N 3.09Å; R72-V74 VanDerWaalsContact C-N 3.29Å; R72-V74 PolarHBondContact O-N 3.04Å; V74-D76 PolarHBondContact O-N 3.08Å; V74-H77 PolarHBondContact O-N 3.27Å; V74-L78 HydrophobicContact CG1-CD1 3.94Å; V74-L78 HydrophobicContact CG1-CG 4.2Å; V74-L78 VanDerWaalsContact O-CG 3.29Å; V74-L78 WeakPolarHBondContact O-CG 3.39Å; V74-L78 PolarHBondContact O-N 3.43Å
75W91.1Very high86.4Confident1 Ų157 Ų570%0.00427%0.274CS..Hα-helixtrans-60.9-42.8177.2-72.5-10.8000113.3W68 Q71 R72 H77 L78 F79 I95 M109 I112 Y117W68-W75 HydrophobicContact CZ3-CH2 4.06Å; W68-W75 HydrophobicContact CZ3-CZ3 4.05Å; Q71-W75 HydrophobicContact CG-CD2 4.02Å; Q71-W75 HydrophobicContact CG-CE3 4.3Å; Q71-W75 HydrophobicContact CG-CH2 4.22Å; Q71-W75 HydrophobicContact CG-CZ2 3.87Å; Q71-W75 HydrophobicContact CG-CZ3 4.42Å; Q71-W75 PolarHBondContact O-N 2.91Å; R72-W75 CarbonylContact O-C 3.56Å; R72-W75 PolarHBondContact O-N 3.41Å; R72-W75 VanDerWaalsContact O-N 3.11Å; W75-H77 PolarHBondContact O-N 2.81Å; W75-L78 PolarHBondContact O-N 3.42Å; W75-L78 VanDerWaalsContact O-N 3.11Å; W75-F79 HydrophobicContact CB-CD2 4.09Å; W75-F79 HydrophobicContact CB-CE2 3.84Å; W75-F79 HydrophobicContact CG-CE2 4.12Å; W75-F79 HydrophobicContact CG-CZ 4.5Å; W75-F79 WeakPolarHBondContact O-CB 2.96Å; W75-F79 WeakPolarHBondContact O-CD2 3.42Å; W75-F79 WeakPolarHBondContact O-CG 3.22Å; W75-F79 PolarHBondContact O-N 2.95Å; W75-I95 HydrophobicContact CH2-CD1 4.06Å; W75-I95 HydrophobicContact CZ2-CD1 3.63Å; W75-M109 HydrophobicContact CH2-CG 4.26Å; W75-I112 HydrophobicContact CE3-CG2 4.17Å; W75-I112 HydrophobicContact CZ3-CG2 3.87Å; W75-Y117 HydrophobicContact CB-CE2 4.4Å; W75-Y117 WeakPolarHBondContact CB-OH 3.41Å; W75-Y117 AromaticContact CE3-CE2 3.88Å; W75-Y117 HydrophobicContact CE3-CE2 3.88Å
76D89.3Confident86.3Confident82 Ų8257.4 Ų57.444%0.43928%0.277SS..Hα-helixtrans-58.9-38175.5-66.2-21.5000111.7R72 V74 G80 Y117R72-D76 WeakPolarHBondContact O-CB 3.21Å; R72-D76 PolarHBondContact O-N 2.97Å; V74-D76 PolarHBondContact O-N 3.08Å; D76-G80 WeakPolarHBondContact O-CA 3.37Å; D76-G80 PolarHBondContact O-N 3.39Å; D76-Y117 WeakPolarHBondContact OD1-CE1 3.47Å; D76-Y117 PolarHBondContact OD1-OH 3.37Å
77H87.3Confident86.2Confident24 Ų2459.7 Ų59.711%0.11128%0.282CS..Hα-helixtrans-72.1-41.9174.9-175.572.3000112T41 K73 V74 W75 E82T41-H77 HydrophobicContact CG2-CB 4.01Å; K73-H77 PolarHBondContact O-N 3.48Å; V74-H77 PolarHBondContact O-N 3.27Å; W75-H77 PolarHBondContact O-N 2.81Å; H77-E82 IonicContact CE1-OE2 2.82Å; H77-E82 IonicContact ND1-OE2 3.75Å
78L87.8Confident86.1Confident0 Ų060 Ų600%028%0.281CS..Hα-helixtrans-65-49.5179-69.9-179.6000112.1L6 A13 I15 I25 V74 W75 G80 M83 F84L6-L78 HydrophobicContact CD1-CD1 4.33Å; A13-L78 HydrophobicContact CB-CD1 3.96Å; I15-L78 HydrophobicContact CD1-CB 4.1Å; I15-L78 HydrophobicContact CG2-CD2 4.08Å; I25-L78 HydrophobicContact CB-CD2 4.03Å; I25-L78 HydrophobicContact CD1-CD2 3.35Å; I25-L78 HydrophobicContact CG1-CD2 4.26Å; I25-L78 HydrophobicContact CG2-CD2 3.83Å; V74-L78 HydrophobicContact CG1-CD1 3.94Å; V74-L78 HydrophobicContact CG1-CG 4.2Å; V74-L78 VanDerWaalsContact O-CG 3.29Å; V74-L78 WeakPolarHBondContact O-CG 3.39Å; V74-L78 PolarHBondContact O-N 3.43Å; W75-L78 PolarHBondContact O-N 3.42Å; W75-L78 VanDerWaalsContact O-N 3.11Å; L78-G80 VanDerWaalsContact C-N 3.3Å; L78-M83 WeakPolarHBondContact O-CB 3.08Å; L78-F84 WeakPolarHBondContact O-CD2 3.16Å
79F89.4Confident86Confident5 Ų561.3 Ų61.32%0.02230%0.296CS..Hα-helixtrans-79-18-179.6-56-33.6000112.8L4 L6 I15 W75 V86 F88 I93 Y117 F119L4-F79 HydrophobicContact CD2-CD1 3.83Å; L4-F79 HydrophobicContact CD2-CE1 3.62Å; L6-F79 HydrophobicContact CD2-CE1 4.3Å; L6-F79 HydrophobicContact CD2-CZ 3.93Å; I15-F79 HydrophobicContact CD1-CD1 3.87Å; I15-F79 HydrophobicContact CD1-CE1 3.68Å; W75-F79 HydrophobicContact CB-CD2 4.09Å; W75-F79 HydrophobicContact CB-CE2 3.84Å; W75-F79 HydrophobicContact CG-CE2 4.12Å; W75-F79 HydrophobicContact CG-CZ 4.5Å; W75-F79 WeakPolarHBondContact O-CB 2.96Å; W75-F79 WeakPolarHBondContact O-CD2 3.42Å; W75-F79 WeakPolarHBondContact O-CG 3.22Å; W75-F79 PolarHBondContact O-N 2.95Å; F79-V86 HydrophobicContact CB-CB 4.26Å; F79-V86 HydrophobicContact CB-CG2 4.01Å; F79-V86 HydrophobicContact CD1-CG2 3.99Å; F79-V86 HydrophobicContact CG-CG2 4.36Å; F79-V86 PolarHBondContact O-N 3.02Å; F79-V86 VanDerWaalsContact O-N 3.13Å; F79-F88 HydrophobicContact CB-CE1 3.84Å; F79-F88 HydrophobicContact CB-CZ 3.81Å; F79-F88 AromaticContact CD2-CE1 3.92Å; F79-F88 HydrophobicContact CD2-CE1 3.92Å; F79-F88 HydrophobicContact CD2-CZ 4.48Å; F79-F88 HydrophobicContact CG-CE1 4.07Å; F79-I93 HydrophobicContact CE1-CD1 4.34Å; F79-I93 HydrophobicContact CZ-CD1 3.81Å; F79-Y117 HydrophobicContact CD2-CD1 4.46Å; F79-Y117 HydrophobicContact CD2-CE1 4.25Å; F79-Y117 HydrophobicContact CD2-CE2 4.44Å; F79-Y117 HydrophobicContact CE2-CD2 4.42Å; F79-Y117 HydrophobicContact CE2-CE2 4.23Å; F79-F119 HydrophobicContact CD2-CZ 4.44Å; F79-F119 HydrophobicContact CE2-CE2 4.22Å; F79-F119 HydrophobicContact CE2-CZ 4.17Å; F79-F119 HydrophobicContact CZ-CZ 4.2Å
80G85Confident86Confident23 Ų2360.9 Ų60.924%0.23729%0.294CS..SBendtrans-63.1174.4-17600000115.1D76 L78 E82 M83 F84 K85D76-G80 WeakPolarHBondContact O-CA 3.37Å; D76-G80 PolarHBondContact O-N 3.39Å; L78-G80 VanDerWaalsContact C-N 3.3Å; G80-E82 PolarHBondContact O-N 3.02Å; G80-E82 VanDerWaalsContact O-N 3.16Å; G80-M83 PolarHBondContact O-N 3.35Å; G80-F84 PolarHBondContact O-N 2.93Å; G80-K85 PolarHBondContact O-N 2.92Å; G80-K85 VanDerWaalsContact O-N 3.08Å
81K71.8Confident86.1Confident179 Ų17960.8 Ų60.878%0.77829%0.293SS*.THydrogen-bonded Turntrans-66.9-18.8-171.8-64-172.8179.6-177.60114.8K85K81-K85 HydrophobicContact CB-CG 4.37Å; K81-K85 WeakPolarHBondContact O-CE 3.43Å; K81-K85 WeakPolarHBondContact O-CG 3.37Å
82E69.8Low86.2Confident141 Ų14160.8 Ų60.866%0.65929%0.293SS*.THydrogen-bonded Turntrans-81.3-24.3-177.2-65.3-176.9167.100112.7H77 G80H77-E82 IonicContact CE1-OE2 2.82Å; H77-E82 IonicContact ND1-OE2 3.75Å; G80-E82 PolarHBondContact O-N 3.02Å; G80-E82 VanDerWaalsContact O-N 3.16Å
83M79.3Confident86.4Confident69 Ų6956.6 Ų56.634%0.3428%0.278SS..THydrogen-bonded Turntrans-113.3-86.7-175.9-67.8-72.512900110.8I25 N43 L78 G80I25-M83 HydrophobicContact CD1-SD 4.43Å; N43-M83 HydrophobicContact CB-CE 4.47Å; L78-M83 WeakPolarHBondContact O-CB 3.08Å; G80-M83 PolarHBondContact O-N 3.35Å
84F82Confident86.7Confident30 Ų3051.7 Ų51.713%0.13226%0.256CS..THydrogen-bonded Turntrans-99.5-14.7-169.3-73.7-85.1000114.8I15 Y17 L78 G80 V86I15-F84 HydrophobicContact CB-CE2 4.19Å; I15-F84 HydrophobicContact CB-CZ 4.4Å; I15-F84 HydrophobicContact CD1-CD2 3.98Å; I15-F84 HydrophobicContact CD1-CE2 4.21Å; I15-F84 HydrophobicContact CD1-CG 4.47Å; I15-F84 HydrophobicContact CG1-CD2 4.18Å; I15-F84 HydrophobicContact CG1-CE2 3.98Å; I15-F84 HydrophobicContact CG1-CZ 4.2Å; I15-F84 HydrophobicContact CG2-CD2 4.14Å; I15-F84 HydrophobicContact CG2-CE2 3.32Å; I15-F84 HydrophobicContact CG2-CZ 3.76Å; I15-F84 WeakPolarHBondContact O-CZ 3.47Å; Y17-F84 HydrophobicContact CD2-CD1 4.07Å; Y17-F84 HydrophobicContact CE2-CB 4.31Å; Y17-F84 AromaticContact CE2-CD1 3.93Å; Y17-F84 HydrophobicContact CE2-CD1 3.93Å; L78-F84 WeakPolarHBondContact O-CD2 3.16Å; G80-F84 PolarHBondContact O-N 2.93Å; F84-V86 VanDerWaalsContact C-N 3.32Å; F84-V86 HydrophobicContact CB-CG2 3.83Å; F84-V86 PolarHBondContact O-N 3.47Å
85K85.9Confident86.9Confident145 Ų14551.7 Ų51.763%0.6326%0.256SS*.  trans49.253.4179.9-65.8170.4-177.5178.90111.7G80 K81 E87G80-K85 PolarHBondContact O-N 2.92Å; G80-K85 VanDerWaalsContact O-N 3.08Å; K81-K85 HydrophobicContact CB-CG 4.37Å; K81-K85 WeakPolarHBondContact O-CE 3.43Å; K81-K85 WeakPolarHBondContact O-CG 3.37Å; K85-E87 PolarHBondContact O-N 3.22Å
86V86.2Confident87Confident12 Ų1251.9 Ų51.97%0.07326%0.257CS..  trans-70123.9-173.2-176.60000110.1L4 F79 F84 F88 T91 F119L4-V86 HydrophobicContact CD2-CG1 4.2Å; L4-V86 HydrophobicContact CD2-CG2 3.77Å; F79-V86 HydrophobicContact CB-CB 4.26Å; F79-V86 HydrophobicContact CB-CG2 4.01Å; F79-V86 HydrophobicContact CD1-CG2 3.99Å; F79-V86 HydrophobicContact CG-CG2 4.36Å; F79-V86 PolarHBondContact O-N 3.02Å; F79-V86 VanDerWaalsContact O-N 3.13Å; F84-V86 VanDerWaalsContact C-N 3.32Å; F84-V86 HydrophobicContact CB-CG2 3.83Å; F84-V86 PolarHBondContact O-N 3.47Å; V86-F88 HydrophobicContact CB-CE1 4.36Å; V86-F88 HydrophobicContact CG1-CD1 4.05Å; V86-F88 HydrophobicContact CG1-CE1 4.27Å; V86-F88 PolarHBondContact O-N 3.06Å; V86-T91 HydrophobicContact CG1-CG2 4.16Å; V86-T91 WeakPolarHBondContact CG1-OG1 3.38Å; V86-F119 HydrophobicContact CG1-CE1 3.87Å; V86-F119 HydrophobicContact CG1-CZ 4.34Å
87E87.9Confident87.1Confident135 Ų13548.3 Ų48.363%0.63124%0.238SC*.  trans-86.790.6168.2-67.6-179.5168.800108.2K85 D90 T91K85-E87 PolarHBondContact O-N 3.22Å; E87-D90 PolarHBondContact O-N 3.11Å; E87-T91 WeakPolarHBondContact O-CB 3.24Å; E87-T91 VanDerWaalsContact O-CG2 3.23Å; E87-T91 WeakPolarHBondContact O-CG2 3.42Å; E87-T91 PolarHBondContact O-N 3.39Å; E87-T91 PolarHBondContact O-OG1 3.45Å
88F87.7Confident87.1Confident53 Ų5348 Ų4823%0.23224%0.238CC..G310 helixtrans-53.6-45.4-170.5-54.8-82000114.9F79 V86 D90 T91 Y117 Q118 F119 Q120F79-F88 HydrophobicContact CB-CE1 3.84Å; F79-F88 HydrophobicContact CB-CZ 3.81Å; F79-F88 AromaticContact CD2-CE1 3.92Å; F79-F88 HydrophobicContact CD2-CE1 3.92Å; F79-F88 HydrophobicContact CD2-CZ 4.48Å; F79-F88 HydrophobicContact CG-CE1 4.07Å; V86-F88 HydrophobicContact CB-CE1 4.36Å; V86-F88 HydrophobicContact CG1-CD1 4.05Å; V86-F88 HydrophobicContact CG1-CE1 4.27Å; V86-F88 PolarHBondContact O-N 3.06Å; F88-D90 PolarHBondContact O-N 3.39Å; F88-D90 VanDerWaalsContact O-N 3.16Å; F88-T91 WeakPolarHBondContact CA-OG1 3.39Å; F88-T91 PolarHBondContact O-N 3.05Å; F88-T91 PolarHBondContact O-OG1 3.12Å; F88-Y117 WeakPolarHBondContact CB-O 3.49Å; F88-Y117 HydrophobicContact CD1-CD1 4.31Å; F88-Y117 HydrophobicContact CD1-CG 4.4Å; F88-Y117 AromaticContact CE1-CD1 3.63Å; F88-Y117 HydrophobicContact CE1-CD1 3.63Å; F88-Y117 HydrophobicContact CE1-CE1 4.44Å; F88-Y117 HydrophobicContact CE1-CG 4.04Å; F88-Y117 WeakPolarHBondContact CG-O 3.42Å; F88-Y117 AromaticContact CZ-CD1 3.79Å; F88-Y117 HydrophobicContact CZ-CD1 3.79Å; F88-Y117 HydrophobicContact CZ-CE1 4.38Å; F88-Q118 CarbonylContact C-O 3.53Å; F88-F119 HydrophobicContact CD1-CD1 4.31Å; F88-F119 HydrophobicContact CD1-CD2 4.35Å; F88-F119 AromaticContact CD1-CE1 3.79Å; F88-F119 HydrophobicContact CD1-CE1 3.79Å; F88-F119 AromaticContact CD1-CE2 3.82Å; F88-F119 HydrophobicContact CD1-CE2 3.82Å; F88-F119 AromaticContact CD1-CZ 3.52Å; F88-F119 HydrophobicContact CD1-CZ 3.52Å; F88-F119 HydrophobicContact CE1-CE1 4.47Å; F88-F119 HydrophobicContact CE1-CE2 4.16Å; F88-F119 AromaticContact CE1-CZ 3.84Å; F88-F119 HydrophobicContact CE1-CZ 3.84Å; F88-F119 WeakPolarHBondContact O-CA 3.39Å; F88-Q120 PolarHBondContact O-N 3.06Å
89P88.2Confident87Confident78 Ų7848.4 Ų48.451%0.50624%0.24SC..G310 helixtrans-68-17.4-175.6-22.235.8000115.2Q120P89-Q120 WeakPolarHBondContact O-CB 3.42Å
90D88.6Confident86.7Confident103 Ų10353.7 Ų53.755%0.55126%0.263SS*.G310 helixtrans-110.32.4-177.5-64.4-46.2000112.6E87 F88E87-D90 PolarHBondContact O-N 3.11Å; F88-D90 PolarHBondContact O-N 3.39Å; F88-D90 VanDerWaalsContact O-N 3.16Å
91T91.4Very high86.9Confident5 Ų553.4 Ų53.43%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-113.9141.4-175.650.90000111.8A2 Y17 V86 E87 F88 Q120A2-T91 HydrophobicContact CB-CG2 4.18Å; A2-T91 WeakPolarHBondContact O-CA 3.34Å; Y17-T91 HydrophobicContact CE1-CG2 4.25Å; V86-T91 HydrophobicContact CG1-CG2 4.16Å; V86-T91 WeakPolarHBondContact CG1-OG1 3.38Å; E87-T91 WeakPolarHBondContact O-CB 3.24Å; E87-T91 VanDerWaalsContact O-CG2 3.23Å; E87-T91 WeakPolarHBondContact O-CG2 3.42Å; E87-T91 PolarHBondContact O-N 3.39Å; E87-T91 PolarHBondContact O-OG1 3.45Å; F88-T91 WeakPolarHBondContact CA-OG1 3.39Å; F88-T91 PolarHBondContact O-N 3.05Å; F88-T91 PolarHBondContact O-OG1 3.12Å; T91-Q120 WeakPolarHBondContact O-CB 3.45Å; T91-Q120 PolarHBondContact O-N 2.98Å; T91-Q120 VanDerWaalsContact O-N 3.15Å
92S93.2Very high87.7Confident0 Ų050.6 Ų50.60%024%0.244CC..EExtended strand (participates in β ladder)trans-100142.4168.8-172.10000109.8A2 T3 L4 S121 Y372A2-S92 PolarHBondContact O-N 3.23Å; T3-S92 CarbonylContact C-O 3.56Å; T3-S92 WeakPolarHBondContact CA-O 3.2Å; L4-S92 PolarHBondContact N-O 2.84Å; S92-S121 WeakPolarHBondContact CA-O 3.39Å; S92-S121 WeakPolarHBondContact CB-OG 3.38Å; S92-S121 PolarHBondContact OG-O 2.79Å; S92-S121 PolarHBondContact OG-OG 2.85Å; S92-Y372 WeakPolarHBondContact CB-OH 3.31Å; S92-Y372 PolarHBondContact OG-OH 3.34Å
93I94.5Very high88.6Confident0 Ų046.7 Ų46.70%023%0.232CC..EExtended strand (participates in β ladder)trans-114.8129.3178.7-170.9169.8000111.8L4 L6 F79 L113 F119 S121 A122 L123L4-I93 CarbonylContact O-C 3.57Å; L4-I93 WeakPolarHBondContact O-CA 3.25Å; L6-I93 HydrophobicContact CD2-CD1 4.48Å; F79-I93 HydrophobicContact CE1-CD1 4.34Å; F79-I93 HydrophobicContact CZ-CD1 3.81Å; I93-L113 HydrophobicContact CD1-CD2 4.05Å; I93-L113 HydrophobicContact CG2-CD2 4.37Å; I93-F119 HydrophobicContact CB-CD1 4.06Å; I93-F119 HydrophobicContact CB-CE1 4.05Å; I93-F119 HydrophobicContact CB-CG 4.3Å; I93-F119 HydrophobicContact CB-CZ 4.3Å; I93-F119 HydrophobicContact CD1-CE1 4.41Å; I93-F119 HydrophobicContact CD1-CE2 3.95Å; I93-F119 HydrophobicContact CD1-CZ 3.83Å; I93-F119 HydrophobicContact CG2-CB 4.23Å; I93-F119 HydrophobicContact CG2-CD1 4.1Å; I93-F119 HydrophobicContact CG2-CD2 3.97Å; I93-F119 HydrophobicContact CG2-CE1 4.46Å; I93-F119 HydrophobicContact CG2-CE2 4.34Å; I93-F119 HydrophobicContact CG2-CG 3.84Å; I93-S121 PolarHBondContact N-O 2.8Å; I93-A122 HydrophobicContact CG2-CB 3.73Å; I93-A122 CarbonylContact O-C 3.57Å; I93-A122 WeakPolarHBondContact O-CA 3.45Å; I93-L123 PolarHBondContact O-N 2.84Å
94I95Very high89.1Confident1 Ų147 Ų471%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-101.7117.5163.6-56.3-179.6000107.1T3 L4 V5 L6 L123 I125 A367 Y372T3-I94 HydrophobicContact CG2-CD1 3.76Å; T3-I94 HydrophobicContact CG2-CG1 3.7Å; L4-I94 PolarHBondContact O-N 2.89Å; V5-I94 HydrophobicContact CG2-CB 4.43Å; V5-I94 HydrophobicContact CG2-CD1 4.25Å; L6-I94 PolarHBondContact N-O 2.88Å; I94-L123 CarbonylContact C-O 3.56Å; I94-L123 WeakPolarHBondContact CA-O 3.35Å; I94-L123 HydrophobicContact CD1-CD2 4.45Å; I94-L123 HydrophobicContact CG1-CB 4.34Å; I94-L123 HydrophobicContact CG1-CD2 4.31Å; I94-L123 HydrophobicContact CG2-CD2 4.41Å; I94-I125 HydrophobicContact CG2-CG2 3.81Å; I94-A367 HydrophobicContact CD1-CB 3.95Å; I94-Y372 HydrophobicContact CD1-CD2 4.28Å; I94-Y372 HydrophobicContact CD1-CE2 3.53Å; I94-Y372 HydrophobicContact CG1-CE2 3.79Å
95I94.5Very high89.5Confident0 Ų046.6 Ų46.60%024%0.24CC..EExtended strand (participates in β ladder)trans-119.2136.6179.1-168.2169.5000111.1L6 N8 W75 M109 L113 L123 R124 I125L6-I95 HydrophobicContact CD2-CD1 3.96Å; L6-I95 HydrophobicContact CD2-CG1 4.21Å; L6-I95 HydrophobicContact CG-CG1 4.37Å; L6-I95 WeakPolarHBondContact O-CA 3.2Å; N8-I95 HydrophobicContact CB-CD1 4.45Å; N8-I95 HydrophobicContact CB-CG1 4.17Å; W75-I95 HydrophobicContact CH2-CD1 4.06Å; W75-I95 HydrophobicContact CZ2-CD1 3.63Å; I95-M109 HydrophobicContact CD1-SD 4.13Å; I95-L113 HydrophobicContact CG2-CD1 4.09Å; I95-L123 PolarHBondContact N-O 2.81Å; I95-R124 HydrophobicContact CG2-CB 4.41Å; I95-R124 HydrophobicContact CG2-CG 3.71Å; I95-R124 WeakPolarHBondContact O-CA 3.47Å; I95-I125 PolarHBondContact O-N 2.82Å; I95-I125 VanDerWaalsContact O-N 3.1Å
96T92.8Very high89.8Confident4 Ų441 Ų413%0.02522%0.216CC..EExtended strand (participates in β ladder)trans-85.6143.6175.566.30000112.6L6 D7 N8 I125 A127 L130L6-T96 PolarHBondContact O-N 2.97Å; D7-T96 VanDerWaalsContact CA-OG1 3.25Å; D7-T96 WeakPolarHBondContact CA-OG1 3.45Å; D7-T96 HydrophobicContact CB-CG2 4.08Å; D7-T96 PolarHBondContact OD1-OG1 3.23Å; N8-T96 PolarHBondContact N-OG1 3.1Å; T96-I125 CarbonylContact C-O 3.54Å; T96-I125 WeakPolarHBondContact CA-O 3.47Å; T96-A127 HydrophobicContact CG2-CB 4.16Å; T96-L130 HydrophobicContact CG2-CD1 3.59Å
97E90.1Very high90Very high8 Ų844 Ų444%0.03723%0.229CC..EExtended strand (participates in β ladder)trans-137.8157.5170.168.3169.3-111.100113.7Q106 R124 I125 N126 I396E97-Q106 PolarHBondContact OE1-NE2 3.19Å; E97-R124 WeakPolarHBondContact OE2-CD 3.5Å; E97-R124 IonicContact OE2-NE 3.39Å; E97-R124 IonicContact OE2-NH1 3.08Å; E97-I125 PolarHBondContact N-O 2.98Å; E97-N126 WeakPolarHBondContact O-CA 3.3Å; E97-N126 PolarHBondContact O-ND2 2.88Å; E97-I396 HydrophobicContact CG-CD1 4.4Å; E97-I396 HydrophobicContact CG-CG2 3.99Å; E97-I396 WeakPolarHBondContact OE1-CG2 3.2Å
98P87.8Confident90.2Very high18 Ų1839.5 Ų39.512%0.11721%0.213CC..  trans-63154.6176.1-19.432.1000112.7G63 F154G63-P98 WeakPolarHBondContact O-CG 3.46Å; P98-F154 HydrophobicContact CB-CE1 4.44Å; P98-F154 HydrophobicContact CB-CZ 4.24Å; P98-F154 HydrophobicContact CG-CE1 4.48Å; P98-F154 HydrophobicContact CG-CZ 4.3Å
99Y86.3Confident90.4Very high8 Ų837.2 Ų37.23%0.03120%0.203CC..THydrogen-bonded Turntrans-63.5139.6170.7-54-81.2000110.8N101 N126 G128 H156 V158 Y160Y99-N101 PolarHBondContact O-N 3.33Å; Y99-N126 HydrophobicContact CD1-CB 3.8Å; Y99-N126 HydrophobicContact CE1-CB 3.26Å; Y99-N126 WeakPolarHBondContact CE1-OD1 3.45Å; Y99-N126 HydrophobicContact CE2-CB 4.46Å; Y99-G128 WeakPolarHBondContact OH-CA 3.39Å; Y99-G128 PolarHBondContact OH-N 2.95Å; Y99-H156 HydrophobicContact CD2-CB 4.23Å; Y99-H156 AromaticContact CD2-CD2 3.68Å; Y99-H156 AromaticContact CD2-CE1 3.98Å; Y99-H156 AromaticContact CD2-CG 3.72Å; Y99-H156 AromaticContact CD2-ND1 3.91Å; Y99-H156 AromaticContact CD2-NE2 3.88Å; Y99-H156 HydrophobicContact CE2-CB 3.92Å; Y99-H156 AromaticContact CE2-CG 3.85Å; Y99-V158 HydrophobicContact CD2-CG2 4.24Å; Y99-V158 HydrophobicContact CE1-CG1 4.19Å; Y99-V158 HydrophobicContact CE1-CG2 4.04Å; Y99-V158 HydrophobicContact CE2-CG2 3.63Å; Y99-Y160 PolarHBondContact OH-OH 3.42Å
100F83.9Confident90.5Very high116 Ų11633.6 Ų33.651%0.50918%0.18SC..THydrogen-bonded Turntrans55.351.9175.5-46.5-69.4000113I170F100-I170 HydrophobicContact CE2-CB 4.37Å; F100-I170 HydrophobicContact CE2-CD1 4.12Å; F100-I170 HydrophobicContact CE2-CG2 3.95Å; F100-I170 HydrophobicContact CZ-CD1 3.95Å
101N87.5Confident90.7Very high17 Ų1732.9 Ų32.99%0.09117%0.173CC..  trans-70.7161.2174.1-160.810.1000111.2Y99 Q106Y99-N101 PolarHBondContact O-N 3.33Å; N101-Q106 HydrophobicContact CB-CG 4.07Å
102F89.5Confident90.8Very high119 Ų11933.2 Ų33.252%0.52218%0.175SC..  trans-74138.1176.3-64.1-57.5000110.6Y64 S104 I105 Q106Y64-F102 AromaticContact CD1-CD2 3.91Å; Y64-F102 HydrophobicContact CD1-CD2 3.91Å; Y64-F102 AromaticContact CD1-CE2 3.82Å; Y64-F102 HydrophobicContact CD1-CE2 3.82Å; Y64-F102 HydrophobicContact CD2-CE2 4.46Å; Y64-F102 HydrophobicContact CE1-CD2 4.1Å; Y64-F102 AromaticContact CE1-CE2 3.82Å; Y64-F102 HydrophobicContact CE1-CE2 3.82Å; Y64-F102 HydrophobicContact CE1-CZ 4.32Å; Y64-F102 HydrophobicContact CE2-CE2 4.46Å; Y64-F102 HydrophobicContact CG-CD2 4.5Å; Y64-F102 HydrophobicContact CG-CE2 4.14Å; F102-S104 VanDerWaalsContact C-N 3.26Å; F102-S104 PolarHBondContact O-N 3.26Å; F102-I105 HydrophobicContact CB-CD1 4.21Å; F102-I105 HydrophobicContact CB-CG1 4.2Å; F102-I105 HydrophobicContact CD2-CD1 3.83Å; F102-I105 PolarHBondContact O-N 3.34Å; F102-Q106 PolarHBondContact O-N 3.19Å
103S88.3Confident90.7Very high60 Ų6033.2 Ų33.242%0.4218%0.175SC..Hα-helixtrans-53.9-42.817954.90000112I105 Q106 E107S103-I105 VanDerWaalsContact C-N 3.32Å; S103-I105 PolarHBondContact O-N 3.02Å; S103-Q106 CarbonylContact O-C 3.56Å; S103-Q106 WeakPolarHBondContact O-CA 3.34Å; S103-Q106 WeakPolarHBondContact O-CB 3.39Å; S103-Q106 PolarHBondContact O-N 3.12Å; S103-E107 WeakPolarHBondContact O-CG 3.5Å; S103-E107 PolarHBondContact O-N 3.38Å
104S90.4Very high90.7Very high75 Ų7533.4 Ų33.452%0.52418%0.175SC..Hα-helixtrans-62.3-35.4177.8-49.50000113.6F102 Q106 S108F102-S104 VanDerWaalsContact C-N 3.26Å; F102-S104 PolarHBondContact O-N 3.26Å; S104-Q106 VanDerWaalsContact C-N 3.35Å; S104-S108 PolarHBondContact O-N 3.47Å; S104-S108 VanDerWaalsContact O-N 3.11Å; S104-S108 PolarHBondContact O-OG 2.85Å; S104-S108 VanDerWaalsContact O-OG 3.06Å
105I90.7Very high90.5Very high21 Ų2138.5 Ų38.511%0.10820%0.199CC..Hα-helixtrans-70.5-38.7175.5-62.8177.1000109.6Y64 L65 W68 F102 S103 M109Y64-I105 HydrophobicContact CD1-CD1 4.43Å; L65-I105 HydrophobicContact CB-CG2 4.13Å; W68-I105 HydrophobicContact CZ2-CG2 3.94Å; F102-I105 HydrophobicContact CB-CD1 4.21Å; F102-I105 HydrophobicContact CB-CG1 4.2Å; F102-I105 HydrophobicContact CD2-CD1 3.83Å; F102-I105 PolarHBondContact O-N 3.34Å; S103-I105 VanDerWaalsContact C-N 3.32Å; S103-I105 PolarHBondContact O-N 3.02Å; I105-M109 WeakPolarHBondContact O-CB 3.14Å; I105-M109 PolarHBondContact O-N 3.07Å
106Q90.4Very high90.4Very high27 Ų2742.7 Ų42.713%0.12622%0.219CC..Hα-helixtrans-64.9-43.8177.1-73.4176.4-25.500111.9E97 N101 F102 S103 S104 M109 N110 R124E97-Q106 PolarHBondContact OE1-NE2 3.19Å; N101-Q106 HydrophobicContact CB-CG 4.07Å; F102-Q106 PolarHBondContact O-N 3.19Å; S103-Q106 CarbonylContact O-C 3.56Å; S103-Q106 WeakPolarHBondContact O-CA 3.34Å; S103-Q106 WeakPolarHBondContact O-CB 3.39Å; S103-Q106 PolarHBondContact O-N 3.12Å; S104-Q106 VanDerWaalsContact C-N 3.35Å; Q106-M109 PolarHBondContact O-N 2.98Å; Q106-N110 VanDerWaalsContact O-CG 3.27Å; Q106-N110 PolarHBondContact O-N 3.31Å; Q106-N110 PolarHBondContact O-ND2 3.14Å; Q106-R124 VanDerWaalsContact C-NH1 3.29Å; Q106-R124 VanDerWaalsContact CB-NH1 3.25Å; Q106-R124 PolarHBondContact O-NH1 2.85Å
107E90.7Very high90.3Very high75 Ų7543.5 Ų43.535%0.3522%0.221SC..Hα-helixtrans-60.7-51.5175.7-71.6168.6-176.500110.8S103 M109 N110 E111 H387S103-E107 WeakPolarHBondContact O-CG 3.5Å; S103-E107 PolarHBondContact O-N 3.38Å; E107-M109 VanDerWaalsContact C-N 3.26Å; E107-M109 PolarHBondContact O-N 2.85Å; E107-N110 WeakPolarHBondContact O-CB 2.92Å; E107-N110 PolarHBondContact O-N 3.16Å; E107-E111 PolarHBondContact O-N 2.82Å; E107-H387 HydrophobicContact CG-CB 4.47Å; E107-H387 PolarHBondContact O-CE1 3.08Å
108S92.3Very high90.5Very high42 Ų4247.8 Ų47.829%0.29424%0.242SC..Hα-helixtrans-60-35.3176.6-60.20000112.7S104 I112S104-S108 PolarHBondContact O-N 3.47Å; S104-S108 VanDerWaalsContact O-N 3.11Å; S104-S108 PolarHBondContact O-OG 2.85Å; S104-S108 VanDerWaalsContact O-OG 3.06Å; S108-I112 WeakPolarHBondContact O-CD1 3.21Å; S108-I112 VanDerWaalsContact O-CG1 3.28Å; S108-I112 WeakPolarHBondContact O-CG1 3.39Å; S108-I112 PolarHBondContact O-N 3.27Å; S108-I112 VanDerWaalsContact O-N 3.09Å
109M91.6Very high90.8Very high4 Ų447 Ų472%0.0224%0.236CC..Hα-helixtrans-65.3-41.6175.3-164.7167.7-64.100111.7L65 W68 W75 I95 I105 Q106 E107 L113L65-M109 HydrophobicContact CD2-CE 3.89Å; W68-M109 HydrophobicContact CH2-CB 3.83Å; W68-M109 HydrophobicContact CH2-CE 3.99Å; W68-M109 HydrophobicContact CH2-CG 4.26Å; W75-M109 HydrophobicContact CH2-CG 4.26Å; I95-M109 HydrophobicContact CD1-SD 4.13Å; I105-M109 WeakPolarHBondContact O-CB 3.14Å; I105-M109 PolarHBondContact O-N 3.07Å; Q106-M109 PolarHBondContact O-N 2.98Å; E107-M109 VanDerWaalsContact C-N 3.26Å; E107-M109 PolarHBondContact O-N 2.85Å; M109-L113 HydrophobicContact CG-CD1 4.13Å; M109-L113 VanDerWaalsContact O-CG 3.24Å; M109-L113 WeakPolarHBondContact O-CG 3.23Å; M109-L113 PolarHBondContact O-N 3.09Å; M109-L113 VanDerWaalsContact O-N 3.09Å
110N91.8Very high91.1Very high2 Ų249.7 Ų49.71%0.01125%0.249CC..Hα-helixtrans-66-45.2178-69.4-26.9000111.5Q106 E107 I112 L113 F114 R124 Y382Q106-N110 VanDerWaalsContact O-CG 3.27Å; Q106-N110 PolarHBondContact O-N 3.31Å; Q106-N110 PolarHBondContact O-ND2 3.14Å; E107-N110 WeakPolarHBondContact O-CB 2.92Å; E107-N110 PolarHBondContact O-N 3.16Å; N110-I112 VanDerWaalsContact C-N 3.33Å; N110-I112 PolarHBondContact O-N 3.13Å; N110-L113 PolarHBondContact O-N 3.08Å; N110-F114 HydrophobicContact CB-CD2 4.47Å; N110-F114 WeakPolarHBondContact O-CD2 3.28Å; N110-F114 PolarHBondContact O-N 2.92Å; N110-R124 VanDerWaalsContact ND2-CZ 3.29Å; N110-R124 PolarHBondContact ND2-NH1 2.9Å; N110-R124 PolarHBondContact ND2-NH2 2.82Å; N110-R124 WeakPolarHBondContact OD1-CD 3.33Å; N110-R124 PolarHBondContact OD1-NE 2.87Å; N110-R124 PolarHBondContact OD1-NH1 3.13Å; N110-Y382 HydrophobicContact CB-CE2 3.93Å
111E92.3Very high91.6Very high89 Ų8944.2 Ų44.242%0.41623%0.225SC..Hα-helixtrans-56.1-47.9176.7-172.4-177.1172.300110.7E107 L113 E115 E116E107-E111 PolarHBondContact O-N 2.82Å; E111-L113 PolarHBondContact O-N 3.09Å; E111-E115 HydrophobicContact CG-CB 4.5Å; E111-E115 HydrophobicContact CG-CG 4.36Å; E111-E115 WeakPolarHBondContact O-CA 3.35Å; E111-E115 WeakPolarHBondContact O-CB 3.45Å; E111-E115 PolarHBondContact O-N 3.14Å; E111-E116 PolarHBondContact O-N 2.78Å
112I92.7Very high91.8Very high12 Ų1243.4 Ų43.46%0.06222%0.221CC..Iπ-helixtrans-63.8-40.9178.5-68.2165.3000111.9W68 R72 W75 S108 N110 E116 Y117W68-I112 HydrophobicContact CD2-CD1 4.1Å; W68-I112 HydrophobicContact CE3-CD1 3.39Å; W68-I112 HydrophobicContact CH2-CD1 4.17Å; W68-I112 HydrophobicContact CZ3-CD1 3.43Å; W68-I112 VanDerWaalsContact CZ3-CD1 3.43Å; R72-I112 HydrophobicContact CG-CD1 4.41Å; W75-I112 HydrophobicContact CE3-CG2 4.17Å; W75-I112 HydrophobicContact CZ3-CG2 3.87Å; S108-I112 WeakPolarHBondContact O-CD1 3.21Å; S108-I112 VanDerWaalsContact O-CG1 3.28Å; S108-I112 WeakPolarHBondContact O-CG1 3.39Å; S108-I112 PolarHBondContact O-N 3.27Å; S108-I112 VanDerWaalsContact O-N 3.09Å; N110-I112 VanDerWaalsContact C-N 3.33Å; N110-I112 PolarHBondContact O-N 3.13Å; I112-E116 WeakPolarHBondContact O-CB 3.08Å; I112-E116 PolarHBondContact O-N 2.9Å; I112-Y117 HydrophobicContact CG2-CD2 3.69Å; I112-Y117 HydrophobicContact CG2-CE2 3.47Å; I112-Y117 VanDerWaalsContact CG2-CE2 3.47Å; I112-Y117 WeakPolarHBondContact O-CD2 3.48Å; I112-Y117 PolarHBondContact O-N 3.38Å
113L92.6Very high92Very high0 Ų038 Ų380%020%0.197CC..Iπ-helixtrans-71.7-44.6-177.7-69.5173.2000112.8I93 I95 M109 N110 E111 Q118 F119I93-L113 HydrophobicContact CD1-CD2 4.05Å; I93-L113 HydrophobicContact CG2-CD2 4.37Å; I95-L113 HydrophobicContact CG2-CD1 4.09Å; M109-L113 HydrophobicContact CG-CD1 4.13Å; M109-L113 VanDerWaalsContact O-CG 3.24Å; M109-L113 WeakPolarHBondContact O-CG 3.23Å; M109-L113 PolarHBondContact O-N 3.09Å; M109-L113 VanDerWaalsContact O-N 3.09Å; N110-L113 PolarHBondContact O-N 3.08Å; E111-L113 PolarHBondContact O-N 3.09Å; L113-Q118 PolarHBondContact O-N 3.23Å; L113-F119 HydrophobicContact CD2-CD2 4.05Å; L113-F119 HydrophobicContact CD2-CE2 4Å; L113-F119 WeakPolarHBondContact O-CD2 3.37Å; L113-F119 PolarHBondContact O-N 3.25Å
114F93Very high92.2Very high3 Ų335.2 Ų35.21%0.01318%0.178CC..Iπ-helixtrans-89.6-39.4-175.3-72.2-67.3000113.5N110 Q118 A122 V377 R379 Y382N110-F114 HydrophobicContact CB-CD2 4.47Å; N110-F114 WeakPolarHBondContact O-CD2 3.28Å; N110-F114 PolarHBondContact O-N 2.92Å; F114-Q118 WeakPolarHBondContact O-CA 3.31Å; F114-A122 HydrophobicContact CE1-CB 4.12Å; F114-A122 HydrophobicContact CE2-CB 4.04Å; F114-A122 HydrophobicContact CZ-CB 3.59Å; F114-V377 HydrophobicContact CE2-CG1 4.47Å; F114-V377 HydrophobicContact CZ-CB 4.21Å; F114-V377 HydrophobicContact CZ-CG1 3.93Å; F114-R379 HydrophobicContact CD1-CB 3.91Å; F114-R379 HydrophobicContact CD1-CG 4Å; F114-R379 HydrophobicContact CE1-CB 4.22Å; F114-Y382 HydrophobicContact CB-CD1 3.53Å; F114-Y382 HydrophobicContact CB-CE1 3.67Å; F114-Y382 HydrophobicContact CB-CG 4.2Å; F114-Y382 HydrophobicContact CD1-CD1 4.47Å; F114-Y382 HydrophobicContact CD1-CG 4.46Å; F114-Y382 AromaticContact CD2-CD1 3.82Å; F114-Y382 HydrophobicContact CD2-CD1 3.82Å; F114-Y382 AromaticContact CD2-CD2 3.72Å; F114-Y382 HydrophobicContact CD2-CD2 3.72Å; F114-Y382 HydrophobicContact CD2-CE1 4.12Å; F114-Y382 HydrophobicContact CD2-CE2 4.02Å; F114-Y382 AromaticContact CD2-CG 3.6Å; F114-Y382 HydrophobicContact CD2-CG 3.6Å; F114-Y382 AromaticContact CE2-CD2 3.95Å; F114-Y382 HydrophobicContact CE2-CD2 3.95Å; F114-Y382 HydrophobicContact CE2-CG 4Å; F114-Y382 AromaticContact CG-CD1 3.71Å; F114-Y382 HydrophobicContact CG-CD1 3.71Å; F114-Y382 HydrophobicContact CG-CD2 4.42Å; F114-Y382 HydrophobicContact CG-CE1 4.17Å; F114-Y382 AromaticContact CG-CG 3.85Å; F114-Y382 HydrophobicContact CG-CG 3.85Å
115E92.2Very high92.3Very high109 Ų10932.7 Ų32.751%0.50916%0.158SC..Iπ-helixtrans-92.3-45.5-174-54.5-174.6-161.800112.5E111 Y382E111-E115 HydrophobicContact CG-CB 4.5Å; E111-E115 HydrophobicContact CG-CG 4.36Å; E111-E115 WeakPolarHBondContact O-CA 3.35Å; E111-E115 WeakPolarHBondContact O-CB 3.45Å; E111-E115 PolarHBondContact O-N 3.14Å; E115-Y382 HydrophobicContact CG-CE1 4.26Å
116E91.8Very high92.4Very high88 Ų8831.7 Ų31.741%0.41115%0.153SC..Iπ-helixtrans-79.9-56.9-179.8-61.2-167.7171.100112.3R72 E111 I112R72-E116 IonicContact CZ-OE1 3.78Å; R72-E116 IonicContact CZ-OE2 2.76Å; R72-E116 IonicContact NE-OE1 2.92Å; R72-E116 IonicContact NE-OE2 2.85Å; R72-E116 PolarHBondContact NE-OE2 3.13Å; R72-E116 VanDerWaalsContact NH2-CD 3.25Å; R72-E116 IonicContact NH2-OE1 3.68Å; R72-E116 PolarHBondContact NH2-OE1 2.93Å; R72-E116 VanDerWaalsContact NH2-OE1 3.13Å; R72-E116 IonicContact NH2-OE2 3.64Å; R72-E116 PolarHBondContact NH2-OE2 3.49Å; E111-E116 PolarHBondContact O-N 2.78Å; I112-E116 WeakPolarHBondContact O-CB 3.08Å; I112-E116 PolarHBondContact O-N 2.9Å
117Y91.3Very high92.4Very high20 Ų2031 Ų318%0.07815%0.152CC..SBendtrans-80.8-23-177.7-70.5-56.8000113.2W75 D76 F79 F88 I112 F119W75-Y117 HydrophobicContact CB-CE2 4.4Å; W75-Y117 WeakPolarHBondContact CB-OH 3.41Å; W75-Y117 AromaticContact CE3-CE2 3.88Å; W75-Y117 HydrophobicContact CE3-CE2 3.88Å; D76-Y117 WeakPolarHBondContact OD1-CE1 3.47Å; D76-Y117 PolarHBondContact OD1-OH 3.37Å; F79-Y117 HydrophobicContact CD2-CD1 4.46Å; F79-Y117 HydrophobicContact CD2-CE1 4.25Å; F79-Y117 HydrophobicContact CD2-CE2 4.44Å; F79-Y117 HydrophobicContact CE2-CD2 4.42Å; F79-Y117 HydrophobicContact CE2-CE2 4.23Å; F88-Y117 WeakPolarHBondContact CB-O 3.49Å; F88-Y117 HydrophobicContact CD1-CD1 4.31Å; F88-Y117 HydrophobicContact CD1-CG 4.4Å; F88-Y117 AromaticContact CE1-CD1 3.63Å; F88-Y117 HydrophobicContact CE1-CD1 3.63Å; F88-Y117 HydrophobicContact CE1-CE1 4.44Å; F88-Y117 HydrophobicContact CE1-CG 4.04Å; F88-Y117 WeakPolarHBondContact CG-O 3.42Å; F88-Y117 AromaticContact CZ-CD1 3.79Å; F88-Y117 HydrophobicContact CZ-CD1 3.79Å; F88-Y117 HydrophobicContact CZ-CE1 4.38Å; I112-Y117 HydrophobicContact CG2-CD2 3.69Å; I112-Y117 HydrophobicContact CG2-CE2 3.47Å; I112-Y117 VanDerWaalsContact CG2-CE2 3.47Å; I112-Y117 WeakPolarHBondContact O-CD2 3.48Å; I112-Y117 PolarHBondContact O-N 3.38Å; Y117-F119 HydrophobicContact CD2-CE2 4.37Å; Y117-F119 HydrophobicContact CG-CE2 4.19Å
118Q93.1Very high92.5Very high99 Ų9927.4 Ų27.446%0.46314%0.135SC..  trans6043.6178.1-52.9-173.9-28.900113.6F88 L113 F114F88-Q118 CarbonylContact C-O 3.53Å; L113-Q118 PolarHBondContact O-N 3.23Å; F114-Q118 WeakPolarHBondContact O-CA 3.31Å
119F93.9Very high92.5Very high0 Ų026.1 Ų26.10%013%0.126CC..  trans-61.3144170.8-78.9-75.7000111.2F79 V86 F88 I93 L113 Y117 S121F79-F119 HydrophobicContact CD2-CZ 4.44Å; F79-F119 HydrophobicContact CE2-CE2 4.22Å; F79-F119 HydrophobicContact CE2-CZ 4.17Å; F79-F119 HydrophobicContact CZ-CZ 4.2Å; V86-F119 HydrophobicContact CG1-CE1 3.87Å; V86-F119 HydrophobicContact CG1-CZ 4.34Å; F88-F119 HydrophobicContact CD1-CD1 4.31Å; F88-F119 HydrophobicContact CD1-CD2 4.35Å; F88-F119 AromaticContact CD1-CE1 3.79Å; F88-F119 HydrophobicContact CD1-CE1 3.79Å; F88-F119 AromaticContact CD1-CE2 3.82Å; F88-F119 HydrophobicContact CD1-CE2 3.82Å; F88-F119 AromaticContact CD1-CZ 3.52Å; F88-F119 HydrophobicContact CD1-CZ 3.52Å; F88-F119 HydrophobicContact CE1-CE1 4.47Å; F88-F119 HydrophobicContact CE1-CE2 4.16Å; F88-F119 AromaticContact CE1-CZ 3.84Å; F88-F119 HydrophobicContact CE1-CZ 3.84Å; F88-F119 WeakPolarHBondContact O-CA 3.39Å; I93-F119 HydrophobicContact CB-CD1 4.06Å; I93-F119 HydrophobicContact CB-CE1 4.05Å; I93-F119 HydrophobicContact CB-CG 4.3Å; I93-F119 HydrophobicContact CB-CZ 4.3Å; I93-F119 HydrophobicContact CD1-CE1 4.41Å; I93-F119 HydrophobicContact CD1-CE2 3.95Å; I93-F119 HydrophobicContact CD1-CZ 3.83Å; I93-F119 HydrophobicContact CG2-CB 4.23Å; I93-F119 HydrophobicContact CG2-CD1 4.1Å; I93-F119 HydrophobicContact CG2-CD2 3.97Å; I93-F119 HydrophobicContact CG2-CE1 4.46Å; I93-F119 HydrophobicContact CG2-CE2 4.34Å; I93-F119 HydrophobicContact CG2-CG 3.84Å; L113-F119 HydrophobicContact CD2-CD2 4.05Å; L113-F119 HydrophobicContact CD2-CE2 4Å; L113-F119 WeakPolarHBondContact O-CD2 3.37Å; L113-F119 PolarHBondContact O-N 3.25Å; Y117-F119 HydrophobicContact CD2-CE2 4.37Å; Y117-F119 HydrophobicContact CG-CE2 4.19Å; F119-S121 VanDerWaalsContact C-N 3.27Å; F119-S121 PolarHBondContact O-N 3.2Å
120Q93.3Very high92.5Very high66 Ų6626 Ų2631%0.30813%0.125SC..SBendtrans-60.6-42.4176.4-168.5174.24.800111.5M1 F88 P89 T91 R379M1-Q120 PolarHBondContact SD-OE1 3.45Å; M1-Q120 VanDerWaalsContact SD-OE1 3.38Å; F88-Q120 PolarHBondContact O-N 3.06Å; P89-Q120 WeakPolarHBondContact O-CB 3.42Å; T91-Q120 WeakPolarHBondContact O-CB 3.45Å; T91-Q120 PolarHBondContact O-N 2.98Å; T91-Q120 VanDerWaalsContact O-N 3.15Å; Q120-R379 WeakPolarHBondContact O-CB 3.41Å; Q120-R379 PolarHBondContact O-N 2.76Å
121S93.3Very high92.6Very high1 Ų125.9 Ų25.91%0.00713%0.125CC..EExtended strand (participates in β ladder)trans-156.3153.2-179.667.80000111.3S92 I93 F119 V376 V377 M378S92-S121 WeakPolarHBondContact CA-O 3.39Å; S92-S121 WeakPolarHBondContact CB-OG 3.38Å; S92-S121 PolarHBondContact OG-O 2.79Å; S92-S121 PolarHBondContact OG-OG 2.85Å; I93-S121 PolarHBondContact N-O 2.8Å; F119-S121 VanDerWaalsContact C-N 3.27Å; F119-S121 PolarHBondContact O-N 3.2Å; S121-V376 WeakPolarHBondContact OG-CG1 3.47Å; S121-V377 CarbonylContact C-O 3.45Å; S121-V377 WeakPolarHBondContact CA-O 3.35Å; S121-V377 VanDerWaalsContact CB-O 3.26Å; S121-V377 WeakPolarHBondContact CB-O 3.41Å; S121-M378 VanDerWaalsContact CB-SD 3.52Å
122A93.6Very high92.6Very high0 Ų021.7 Ų21.70%011%0.105CC..EExtended strand (participates in β ladder)trans-134145.3-179.800000110.9I93 F114 V377 F394I93-A122 HydrophobicContact CG2-CB 3.73Å; I93-A122 CarbonylContact O-C 3.57Å; I93-A122 WeakPolarHBondContact O-CA 3.45Å; F114-A122 HydrophobicContact CE1-CB 4.12Å; F114-A122 HydrophobicContact CE2-CB 4.04Å; F114-A122 HydrophobicContact CZ-CB 3.59Å; A122-V377 PolarHBondContact N-O 3.39Å; A122-V377 PolarHBondContact O-N 3.18Å; A122-F394 VanDerWaalsContact O-CE1 3.24Å; A122-F394 WeakPolarHBondContact O-CE1 3.36Å; A122-F394 VanDerWaalsContact O-CZ 3.29Å; A122-F394 WeakPolarHBondContact O-CZ 3.44Å
123L93Very high92.6Very high4 Ų422.9 Ų22.92%0.02111%0.111CC..EExtended strand (participates in β ladder)trans-126.8121.6168.6172.760.7000108.8I93 I94 I95 L366 Y372 M375 V376 F394I93-L123 PolarHBondContact O-N 2.84Å; I94-L123 CarbonylContact C-O 3.56Å; I94-L123 WeakPolarHBondContact CA-O 3.35Å; I94-L123 HydrophobicContact CD1-CD2 4.45Å; I94-L123 HydrophobicContact CG1-CB 4.34Å; I94-L123 HydrophobicContact CG1-CD2 4.31Å; I94-L123 HydrophobicContact CG2-CD2 4.41Å; I95-L123 PolarHBondContact N-O 2.81Å; L123-L366 HydrophobicContact CD2-CD2 3.83Å; L123-Y372 HydrophobicContact CD2-CD2 4.25Å; L123-Y372 HydrophobicContact CD2-CE2 4.02Å; L123-M375 HydrophobicContact CD1-CB 3.99Å; L123-M375 WeakPolarHBondContact CD1-O 3.42Å; L123-M375 HydrophobicContact CD2-CB 4.33Å; L123-V376 HydrophobicContact CB-CG2 4.05Å; L123-V376 HydrophobicContact CD2-CG2 4.49Å; L123-F394 HydrophobicContact CD1-CD1 3.8Å; L123-F394 HydrophobicContact CD1-CE1 4.06Å
124R92.4Very high92.6Very high3 Ų324.7 Ų24.71%0.01112%0.119CC..EExtended strand (participates in β ladder)trans-101.6129170.6-62.4-171.5-56.5-177.6-2.8109.6I95 E97 Q106 N110 F394 I396I95-R124 HydrophobicContact CG2-CB 4.41Å; I95-R124 HydrophobicContact CG2-CG 3.71Å; I95-R124 WeakPolarHBondContact O-CA 3.47Å; E97-R124 WeakPolarHBondContact OE2-CD 3.5Å; E97-R124 IonicContact OE2-NE 3.39Å; E97-R124 IonicContact OE2-NH1 3.08Å; Q106-R124 VanDerWaalsContact C-NH1 3.29Å; Q106-R124 VanDerWaalsContact CB-NH1 3.25Å; Q106-R124 PolarHBondContact O-NH1 2.85Å; N110-R124 VanDerWaalsContact ND2-CZ 3.29Å; N110-R124 PolarHBondContact ND2-NH1 2.9Å; N110-R124 PolarHBondContact ND2-NH2 2.82Å; N110-R124 WeakPolarHBondContact OD1-CD 3.33Å; N110-R124 PolarHBondContact OD1-NE 2.87Å; N110-R124 PolarHBondContact OD1-NH1 3.13Å; R124-F394 HydrophobicContact CB-CD2 3.83Å; R124-F394 HydrophobicContact CB-CE2 4.05Å; R124-F394 HydrophobicContact CB-CG 4.13Å; R124-F394 HydrophobicContact CG-CD2 4.1Å; R124-F394 HydrophobicContact CG-CE2 3.84Å; R124-F394 HydrophobicContact CG-CZ 4.36Å; R124-F394 VanDerWaalsContact NE-CE2 3.32Å; R124-I396 HydrophobicContact CB-CD1 3.64Å; R124-I396 HydrophobicContact CB-CG1 4.35Å
125I92.1Very high92.6Very high21 Ų2124.5 Ų24.511%0.10812%0.118CC..EExtended strand (participates in β ladder)trans-148.3154.9-175.1-171.6159.2000110.8I94 I95 T96 E97 L130 L366I94-I125 HydrophobicContact CG2-CG2 3.81Å; I95-I125 PolarHBondContact O-N 2.82Å; I95-I125 VanDerWaalsContact O-N 3.1Å; T96-I125 CarbonylContact C-O 3.54Å; T96-I125 WeakPolarHBondContact CA-O 3.47Å; E97-I125 PolarHBondContact N-O 2.98Å; I125-L130 HydrophobicContact CD1-CD2 3.84Å; I125-L130 HydrophobicContact CD1-CG 4.49Å; I125-L130 HydrophobicContact CG1-CD2 4.32Å; I125-L130 HydrophobicContact CG1-CG 4.48Å; I125-L130 HydrophobicContact CG2-CD1 3.91Å; I125-L130 HydrophobicContact CG2-CD2 3.76Å; I125-L130 HydrophobicContact CG2-CG 3.81Å; I125-L366 HydrophobicContact CD1-CD2 3.77Å
126N92.1Very high92.6Very high0 Ų020.3 Ų20.30%010%0.098CC..EExtended strand (participates in β ladder)trans-76.4144.9175.9-44113000111.5E97 Y99 G128 S129 L130 K165 I396E97-N126 WeakPolarHBondContact O-CA 3.3Å; E97-N126 PolarHBondContact O-ND2 2.88Å; Y99-N126 HydrophobicContact CD1-CB 3.8Å; Y99-N126 HydrophobicContact CE1-CB 3.26Å; Y99-N126 WeakPolarHBondContact CE1-OD1 3.45Å; Y99-N126 HydrophobicContact CE2-CB 4.46Å; N126-G128 VanDerWaalsContact C-N 3.28Å; N126-G128 PolarHBondContact O-N 2.75Å; N126-S129 WeakPolarHBondContact O-CB 3.14Å; N126-S129 PolarHBondContact O-N 2.98Å; N126-L130 PolarHBondContact O-N 3.46Å; N126-K165 PolarHBondContact OD1-NZ 2.96Å; N126-I396 PolarHBondContact ND2-OXT 2.89Å; N126-I396 VanDerWaalsContact ND2-OXT 3.1Å; N126-I396 PolarHBondContact OD1-OXT 3.23Å; N126-I396 VanDerWaalsContact OD1-OXT 3.13Å
127A91.6Very high92.4Very high13 Ų1319.5 Ų19.511%0.10710%0.1CC..Hα-helixtrans-58.9-37.6178.400000112.9T96 S129 L130 G131 S359T96-A127 HydrophobicContact CG2-CB 4.16Å; A127-S129 VanDerWaalsContact C-N 3.32Å; A127-S129 PolarHBondContact O-N 3.43Å; A127-L130 PolarHBondContact O-N 3.17Å; A127-G131 PolarHBondContact O-N 3.29Å; A127-G131 VanDerWaalsContact O-N 3.08Å; A127-S359 WeakPolarHBondContact O-CB 3.29Å; A127-S359 PolarHBondContact O-OG 2.78Å
128G91.6Very high92.3Very high0 Ų021.7 Ų21.70%012%0.118CC..Hα-helixtrans-71.7-25.5176.800000113.4Y99 N126 L130 G131 A132Y99-G128 WeakPolarHBondContact OH-CA 3.39Å; Y99-G128 PolarHBondContact OH-N 2.95Å; N126-G128 VanDerWaalsContact C-N 3.28Å; N126-G128 PolarHBondContact O-N 2.75Å; G128-L130 VanDerWaalsContact C-N 3.35Å; G128-G131 PolarHBondContact O-N 3.08Å; G128-A132 WeakPolarHBondContact O-CB 3.14Å; G128-A132 PolarHBondContact O-N 3.27Å
129S92.4Very high92.1Very high15 Ų1520.1 Ų20.111%0.10511%0.109CC..Hα-helixtrans-69.2-38.6175.3-580000110.3N126 A127 A132 H133 Y160N126-S129 WeakPolarHBondContact O-CB 3.14Å; N126-S129 PolarHBondContact O-N 2.98Å; A127-S129 VanDerWaalsContact C-N 3.32Å; A127-S129 PolarHBondContact O-N 3.43Å; S129-A132 PolarHBondContact O-N 3.49Å; S129-H133 WeakPolarHBondContact O-CB 3.35Å; S129-H133 PolarHBondContact O-N 3.29Å; S129-Y160 VanDerWaalsContact CA-OH 3.29Å; S129-Y160 WeakPolarHBondContact CA-OH 3.38Å; S129-Y160 PolarHBondContact N-OH 2.92Å; S129-Y160 WeakPolarHBondContact OG-CE1 3.43Å; S129-Y160 PolarHBondContact OG-OH 3.11Å
130L92.9Very high91.6Very high0 Ų025.5 Ų25.50%014%0.144CC..Hα-helixtrans-64.2-43.7170.9-62.2-178000112T96 I125 N126 A127 G128 A132 H133 H134 S359 G362 L366T96-L130 HydrophobicContact CG2-CD1 3.59Å; I125-L130 HydrophobicContact CD1-CD2 3.84Å; I125-L130 HydrophobicContact CD1-CG 4.49Å; I125-L130 HydrophobicContact CG1-CD2 4.32Å; I125-L130 HydrophobicContact CG1-CG 4.48Å; I125-L130 HydrophobicContact CG2-CD1 3.91Å; I125-L130 HydrophobicContact CG2-CD2 3.76Å; I125-L130 HydrophobicContact CG2-CG 3.81Å; N126-L130 PolarHBondContact O-N 3.46Å; A127-L130 PolarHBondContact O-N 3.17Å; G128-L130 VanDerWaalsContact C-N 3.35Å; L130-A132 VanDerWaalsContact C-N 3.35Å; L130-A132 PolarHBondContact O-N 3.04Å; L130-H133 PolarHBondContact O-N 3.19Å; L130-H134 PolarHBondContact O-N 3.48Å; L130-S359 WeakPolarHBondContact CB-O 3.47Å; L130-S359 WeakPolarHBondContact CD1-O 3.36Å; L130-G362 WeakPolarHBondContact O-CA 3.05Å; L130-L366 HydrophobicContact CD2-CB 4.35Å; L130-L366 HydrophobicContact CD2-CD2 3.64Å
131G92.5Very high91.3Very high0 Ų027 Ų270%016%0.162CC..Hα-helixtrans-60.8-41.617500000113A127 G128 H134 Y135 Y358A127-G131 PolarHBondContact O-N 3.29Å; A127-G131 VanDerWaalsContact O-N 3.08Å; G128-G131 PolarHBondContact O-N 3.08Å; G131-H134 PolarHBondContact O-N 3.4Å; G131-Y135 PolarHBondContact O-N 3.17Å; G131-Y358 VanDerWaalsContact O-CE1 3.22Å; G131-Y358 WeakPolarHBondContact O-CE1 3.31Å
132A92.9Very high91Very high1 Ų129 Ų291%0.00817%0.171CC..Hα-helixtrans-63.4-45174.300000111.2G128 S129 L130 H134 Y135 F136 V147 Y160G128-A132 WeakPolarHBondContact O-CB 3.14Å; G128-A132 PolarHBondContact O-N 3.27Å; S129-A132 PolarHBondContact O-N 3.49Å; L130-A132 VanDerWaalsContact C-N 3.35Å; L130-A132 PolarHBondContact O-N 3.04Å; A132-H134 VanDerWaalsContact C-N 3.33Å; A132-H134 PolarHBondContact O-N 3.25Å; A132-Y135 WeakPolarHBondContact O-CB 3.48Å; A132-Y135 PolarHBondContact O-N 3.32Å; A132-Y135 VanDerWaalsContact O-N 3.08Å; A132-F136 HydrophobicContact CB-CD2 4.37Å; A132-F136 HydrophobicContact CB-CE2 4Å; A132-F136 WeakPolarHBondContact O-CD2 3.03Å; A132-F136 WeakPolarHBondContact O-CG 3.43Å; A132-F136 PolarHBondContact O-N 3.13Å; A132-V147 HydrophobicContact CB-CG2 3.93Å; A132-Y160 HydrophobicContact CB-CD1 3.91Å; A132-Y160 HydrophobicContact CB-CD2 3.67Å; A132-Y160 HydrophobicContact CB-CE1 4.23Å; A132-Y160 HydrophobicContact CB-CE2 4Å; A132-Y160 HydrophobicContact CB-CG 3.63Å
133H92Very high90.8Very high37 Ų3733.4 Ų33.417%0.17120%0.195CC..Hα-helixtrans-58.7-43.8176.6-175.9-94.6000112S129 L130 Y135 F136 T137S129-H133 WeakPolarHBondContact O-CB 3.35Å; S129-H133 PolarHBondContact O-N 3.29Å; L130-H133 PolarHBondContact O-N 3.19Å; H133-Y135 VanDerWaalsContact C-N 3.34Å; H133-Y135 PolarHBondContact O-N 2.96Å; H133-F136 PolarHBondContact O-N 2.69Å; H133-T137 WeakPolarHBondContact O-CB 3.38Å; H133-T137 PolarHBondContact O-N 2.73Å; H133-T137 PolarHBondContact O-OG1 3.19Å
134H93.1Very high90.9Very high38 Ų3833.4 Ų33.418%0.17620%0.195CC..Hα-helixtrans-57.9-45.6172.7-174.2-88.3000112L130 G131 A132 T137 S138 Y358 E361 L365L130-H134 PolarHBondContact O-N 3.48Å; G131-H134 PolarHBondContact O-N 3.4Å; A132-H134 VanDerWaalsContact C-N 3.33Å; A132-H134 PolarHBondContact O-N 3.25Å; H134-T137 PolarHBondContact O-N 3.09Å; H134-S138 PolarHBondContact O-N 2.65Å; H134-S138 PolarHBondContact O-OG 3.1Å; H134-Y358 HydrophobicContact CB-CE1 4.19Å; H134-Y358 AromaticContact CE1-CE2 3.37Å; H134-Y358 WeakPolarHBondContact CE1-CE2 3.43Å; H134-Y358 AromaticContact CE1-CZ 3.94Å; H134-Y358 AromaticContact CG-CE2 3.9Å; H134-Y358 AromaticContact CG-CZ 3.84Å; H134-Y358 AromaticContact ND1-CD2 3.79Å; H134-Y358 AromaticContact ND1-CE2 2.96Å; H134-Y358 WeakPolarHBondContact ND1-CE2 3.22Å; H134-Y358 AromaticContact ND1-CZ 3.07Å; H134-Y358 PolarHBondContact ND1-OH 3.14Å; H134-E361 IonicContact NE2-OE2 4Å; H134-L365 HydrophobicContact CB-CD1 4.37Å; H134-L365 WeakPolarHBondContact CD2-CD1 3.43Å
135Y92.8Very high91.1Very high0 Ų033.3 Ų33.30%019%0.194CC..Hα-helixtrans-61.3-50178.6-172.2-104.8000112G131 A132 H133 T137 S138 K139 E142 C145 N316 V318 F350 Y358G131-Y135 PolarHBondContact O-N 3.17Å; A132-Y135 WeakPolarHBondContact O-CB 3.48Å; A132-Y135 PolarHBondContact O-N 3.32Å; A132-Y135 VanDerWaalsContact O-N 3.08Å; H133-Y135 VanDerWaalsContact C-N 3.34Å; H133-Y135 PolarHBondContact O-N 2.96Å; Y135-T137 VanDerWaalsContact C-N 3.29Å; Y135-T137 PolarHBondContact O-N 3.18Å; Y135-S138 PolarHBondContact O-N 3.01Å; Y135-S138 VanDerWaalsContact O-N 3.13Å; Y135-S138 PolarHBondContact O-OG 3.19Å; Y135-K139 HydrophobicContact CE1-CD 4.38Å; Y135-K139 HydrophobicContact CE2-CD 3.91Å; Y135-K139 PolarHBondContact O-N 3.04Å; Y135-K139 PolarHBondContact OH-NZ 3.24Å; Y135-E142 HydrophobicContact CE1-CB 4.43Å; Y135-C145 HydrophobicContact CD1-CB 3.63Å; Y135-C145 HydrophobicContact CE1-CB 3.87Å; Y135-N316 HydrophobicContact CE1-CB 4.08Å; Y135-N316 PolarHBondContact OH-OD1 3.17Å; Y135-V318 HydrophobicContact CD1-CG2 3.95Å; Y135-V318 HydrophobicContact CD2-CG1 4.47Å; Y135-V318 HydrophobicContact CD2-CG2 3.35Å; Y135-V318 HydrophobicContact CE1-CG2 4.17Å; Y135-V318 HydrophobicContact CE2-CG2 3.6Å; Y135-V318 HydrophobicContact CG-CG2 3.54Å; Y135-F350 HydrophobicContact CD2-CD1 4.01Å; Y135-F350 HydrophobicContact CD2-CE1 4.23Å; Y135-F350 AromaticContact CE2-CD1 3.88Å; Y135-F350 HydrophobicContact CE2-CD1 3.88Å; Y135-F350 HydrophobicContact CE2-CE1 4.36Å; Y135-F350 HydrophobicContact CE2-CG 4.23Å; Y135-Y358 WeakPolarHBondContact CA-OH 3.43Å; Y135-Y358 PolarHBondContact N-OH 3.33Å
136F91.9Very high91.3Very high20 Ų2032.3 Ų32.39%0.08819%0.189CC..Hα-helixtrans-63.5-34.5178.8-66-52.4000112.7A132 H133 K139 P140 E142 C145A132-F136 HydrophobicContact CB-CD2 4.37Å; A132-F136 HydrophobicContact CB-CE2 4Å; A132-F136 WeakPolarHBondContact O-CD2 3.03Å; A132-F136 WeakPolarHBondContact O-CG 3.43Å; A132-F136 PolarHBondContact O-N 3.13Å; H133-F136 PolarHBondContact O-N 2.69Å; F136-K139 CarbonylContact O-C 3.58Å; F136-K139 PolarHBondContact O-N 3.35Å; F136-P140 WeakPolarHBondContact O-CA 3.31Å; F136-P140 VanDerWaalsContact O-N 3.17Å; F136-E142 VanDerWaalsContact CD1-O 3.31Å; F136-E142 WeakPolarHBondContact CD1-O 3.17Å; F136-C145 HydrophobicContact CE1-CB 4.23Å; F136-C145 HydrophobicContact CZ-CB 4.12Å; F136-C145 WeakPolarHBondContact CZ-SG 3.01Å
137T89.2Confident91.5Very high72 Ų7232.3 Ų32.344%0.44219%0.19SC..Hα-helixtrans-66.6-39.9174.9-55.50000111H133 H134 Y135 K139 L365H133-T137 WeakPolarHBondContact O-CB 3.38Å; H133-T137 PolarHBondContact O-N 2.73Å; H133-T137 PolarHBondContact O-OG1 3.19Å; H134-T137 PolarHBondContact O-N 3.09Å; Y135-T137 VanDerWaalsContact C-N 3.29Å; Y135-T137 PolarHBondContact O-N 3.18Å; T137-K139 VanDerWaalsContact C-N 3.35Å; T137-L365 HydrophobicContact CG2-CD1 4.04Å
138S88.6Confident91.8Very high65 Ų6531.7 Ų31.746%0.45518%0.184SC..Hα-helixtrans-72.2-28.1176.675.60000113.2H134 Y135H134-S138 PolarHBondContact O-N 2.65Å; H134-S138 PolarHBondContact O-OG 3.1Å; Y135-S138 PolarHBondContact O-N 3.01Å; Y135-S138 VanDerWaalsContact O-N 3.13Å; Y135-S138 PolarHBondContact O-OG 3.19Å
139K88.8Confident92Very high66 Ų6632.7 Ų32.729%0.28719%0.19SC..  trans-136.579.6-177.6-66.4-174.2-170.7175.80111.2Y135 F136 T137 S141 E142Y135-K139 HydrophobicContact CE1-CD 4.38Å; Y135-K139 HydrophobicContact CE2-CD 3.91Å; Y135-K139 PolarHBondContact O-N 3.04Å; Y135-K139 PolarHBondContact OH-NZ 3.24Å; F136-K139 CarbonylContact O-C 3.58Å; F136-K139 PolarHBondContact O-N 3.35Å; T137-K139 VanDerWaalsContact C-N 3.35Å; K139-S141 PolarHBondContact O-N 3.12Å; K139-S141 VanDerWaalsContact O-N 3.14Å; K139-E142 HydrophobicContact CB-CG 4.27Å; K139-E142 PolarHBondContact O-N 3.38Å
140P83.2Confident92.1Very high114 Ų11432 Ų3274%0.7419%0.185SC*.THydrogen-bonded Turntrans-68.8-13.5-175.526.8-35.4000114.2F136 E142F136-P140 WeakPolarHBondContact O-CA 3.31Å; F136-P140 VanDerWaalsContact O-N 3.17Å; P140-E142 VanDerWaalsContact C-N 3.34Å
141S86.6Confident92Very high98 Ų9832.6 Ų32.669%0.68519%0.191SC*.THydrogen-bonded Turntrans-75.3-23177.155.30000113.6K139K139-S141 PolarHBondContact O-N 3.12Å; K139-S141 VanDerWaalsContact O-N 3.14Å
142E88.7Confident91.9Very high41 Ų4133.9 Ų33.919%0.19220%0.196CC..  trans-88.5127.2-175.9-63-60.4154.300110.3Y135 F136 K139 P140 N316Y135-E142 HydrophobicContact CE1-CB 4.43Å; F136-E142 VanDerWaalsContact CD1-O 3.31Å; F136-E142 WeakPolarHBondContact CD1-O 3.17Å; K139-E142 HydrophobicContact CB-CG 4.27Å; K139-E142 PolarHBondContact O-N 3.38Å; P140-E142 VanDerWaalsContact C-N 3.34Å; E142-N316 PolarHBondContact OE2-ND2 3.31Å
143L89.4Confident91.7Very high94 Ų9434.6 Ų34.649%0.49220%0.202SC..  trans-90.5-23.3179.8-63.7173.5000112.7C161 R162L143-C161 CarbonylContact O-C 3.1Å; L143-C161 WeakPolarHBondContact O-CA 3.46Å; L143-R162 HydrophobicContact CD2-CG 4.43Å; L143-R162 PolarHBondContact O-N 3.32Å
144C94.2Very high91.6Very high4 Ų434.1 Ų34.13%0.02720%0.199CC..EExtended strand (participates in β ladder)trans-129.1148.1-176.3-52.60000111Y160 H312 F313 N316C144-Y160 CarbonylContact C-O 3.51Å; C144-Y160 WeakPolarHBondContact CA-O 3.29Å; C144-H312 HydrophobicContact CB-CB 3.86Å; C144-F313 HydrophobicContact CB-CD1 4.13Å; C144-F313 HydrophobicContact CB-CE1 3.8Å; C144-F313 HydrophobicContact CB-CZ 4.13Å; C144-N316 VanDerWaalsContact O-CB 3.25Å; C144-N316 WeakPolarHBondContact O-CB 3.48Å; C144-N316 PolarHBondContact O-ND2 3.17Å
145C95.8Very high91.6Very high0 Ų032.4 Ų32.40%019%0.191CC..EExtended strand (participates in β ladder)trans-147.414916768.20000110.5Y135 F136 Y160 N316 V318Y135-C145 HydrophobicContact CD1-CB 3.63Å; Y135-C145 HydrophobicContact CE1-CB 3.87Å; F136-C145 HydrophobicContact CE1-CB 4.23Å; F136-C145 HydrophobicContact CZ-CB 4.12Å; F136-C145 WeakPolarHBondContact CZ-SG 3.01Å; C145-Y160 PolarHBondContact N-O 2.81Å; C145-Y160 PolarHBondContact O-N 3.09Å; C145-N316 CarbonylContact C-O 3.6Å; C145-N316 WeakPolarHBondContact CA-O 3.38Å; C145-N316 HydrophobicContact CB-CB 4.16Å; C145-V318 HydrophobicContact CB-CG2 4.27Å
146L97.2Very high91.7Very high0 Ų032.6 Ų32.60%019%0.192CC..EExtended strand (participates in β ladder)trans-105.2112.5171.5-174.473.9000108.4I157 P159 I298 V302 F313 N316 I317 V318L146-I157 HydrophobicContact CD1-CG2 3.8Å; L146-I157 HydrophobicContact CD2-CG2 4.12Å; L146-I157 HydrophobicContact CG-CG2 4.1Å; L146-P159 HydrophobicContact CD1-CB 3.76Å; L146-P159 HydrophobicContact CD1-CG 4.3Å; L146-I298 HydrophobicContact CD2-CB 4.32Å; L146-I298 HydrophobicContact CD2-CG1 4.19Å; L146-I298 HydrophobicContact CD2-CG2 3.59Å; L146-V302 HydrophobicContact CD2-CG2 4.12Å; L146-F313 HydrophobicContact CB-CD1 4.24Å; L146-N316 PolarHBondContact N-O 3.04Å; L146-I317 HydrophobicContact CB-CG1 4.46Å; L146-I317 HydrophobicContact CD2-CG1 4.33Å; L146-I317 CarbonylContact O-C 3.56Å; L146-I317 WeakPolarHBondContact O-CA 3.48Å; L146-V318 PolarHBondContact O-N 3.41Å
147V96.9Very high91.9Very high1 Ų131.6 Ų31.61%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-90.9124.3178.2179.80000109.4A132 I157 V158 Y160 V318 T320A132-V147 HydrophobicContact CB-CG2 3.93Å; V147-I157 WeakPolarHBondContact O-CA 3.17Å; V147-V158 PolarHBondContact N-O 3.42Å; V147-V158 PolarHBondContact O-N 3.2Å; V147-Y160 HydrophobicContact CB-CD2 4.29Å; V147-Y160 HydrophobicContact CB-CE2 4.04Å; V147-Y160 HydrophobicContact CG2-CD2 3.79Å; V147-Y160 HydrophobicContact CG2-CE2 3.86Å; V147-V318 WeakPolarHBondContact CA-O 3.24Å; V147-V318 HydrophobicContact CG2-CB 4.46Å; V147-T320 HydrophobicContact CG1-CG2 3.71Å
148V97.2Very high92.3Very high0 Ų028.2 Ų28.20%017%0.167CC..EExtended strand (participates in β ladder)trans-109.9101.5174.6-175.80000107.7T155 H156 I157 I294 I298 I317 V318 L319 T320V148-T155 HydrophobicContact CG1-CG2 4.4Å; V148-H156 CarbonylContact C-O 3.4Å; V148-H156 WeakPolarHBondContact CA-O 3.14Å; V148-I157 HydrophobicContact CG1-CG1 4.22Å; V148-I157 HydrophobicContact CG2-CG1 4.39Å; V148-I294 HydrophobicContact CG1-CG2 3.95Å; V148-I298 HydrophobicContact CG2-CD1 3.71Å; V148-I298 HydrophobicContact CG2-CG1 4Å; V148-I317 HydrophobicContact CG2-CG2 3.84Å; V148-V318 PolarHBondContact N-O 3.28Å; V148-L319 HydrophobicContact CB-CD2 3.78Å; V148-L319 HydrophobicContact CG1-CD2 4.27Å; V148-L319 HydrophobicContact CG2-CD2 4.16Å; V148-T320 PolarHBondContact O-N 3.09Å
149D95.3Very high92.7Very high21 Ų2125.1 Ų25.111%0.11215%0.145CC..EExtended strand (participates in β ladder)trans-99.4100.6179.9-179.29.1000110.6T155 H156 T320D149-T155 CarbonylContact O-C 3.55Å; D149-T155 WeakPolarHBondContact O-CA 3.35Å; D149-H156 HydrophobicContact CB-CB 4.44Å; D149-H156 PolarHBondContact N-O 2.97Å; D149-H156 PolarHBondContact O-N 3.03Å; D149-T320 CarbonylContact C-O 3.33Å; D149-T320 VanDerWaalsContact CA-O 3.27Å; D149-T320 WeakPolarHBondContact CA-O 3.34Å; D149-T320 HydrophobicContact CB-CG2 3.54Å
150S95.1Very high93Very high0 Ų022.1 Ų22.10%013%0.132CC..EExtended strand (participates in β ladder)trans-100.194.6176.8-163.90000111.7T155 T320 G321 G322 N323S150-T155 PolarHBondContact OG-OG1 2.8Å; S150-T320 PolarHBondContact N-O 3.1Å; S150-G321 CarbonylContact O-C 3.56Å; S150-G321 WeakPolarHBondContact O-CA 3.34Å; S150-G322 PolarHBondContact O-N 3.3Å; S150-G322 VanDerWaalsContact O-N 3.08Å; S150-N323 PolarHBondContact O-N 3.04Å; S150-N323 VanDerWaalsContact O-N 3.07Å; S150-N323 WeakPolarHBondContact OG-CB 3.46Å; S150-N323 PolarHBondContact OG-ND2 3.04Å
151G91.6Very high93.5Very high12 Ų1217.8 Ų17.812%0.12411%0.105CC..  trans-100.2-167.9-174.100000115.1F154 G177 N323G151-F154 PolarHBondContact N-O 2.97Å; G151-G177 PolarHBondContact O-N 2.89Å; G151-N323 PolarHBondContact O-ND2 3.43Å
152F89.8Confident93.5Very high27 Ų2722 Ų2212%0.11811%0.105CC..SBendtrans-69.9-39.5-178.5-179.5-100000113.3A10 Y11 L58 G176 G177 K178A10-F152 HydrophobicContact CB-CD1 4.2Å; Y11-F152 VanDerWaalsContact CB-CG 3.42Å; Y11-F152 HydrophobicContact CD1-CD2 4.26Å; Y11-F152 HydrophobicContact CD2-CD2 4.26Å; Y11-F152 AromaticContact CD2-CE2 3.94Å; Y11-F152 HydrophobicContact CD2-CE2 3.94Å; Y11-F152 HydrophobicContact CD2-CZ 4.14Å; Y11-F152 AromaticContact CG-CD2 3.79Å; Y11-F152 HydrophobicContact CG-CD2 3.79Å; Y11-F152 AromaticContact CG-CE2 3.96Å; Y11-F152 HydrophobicContact CG-CE2 3.96Å; Y11-F152 HydrophobicContact CG-CG 4.15Å; Y11-F152 HydrophobicContact CG-CZ 4.44Å; L58-F152 HydrophobicContact CD1-CE1 3.53Å; L58-F152 HydrophobicContact CD1-CZ 4.04Å; F152-G176 CarbonylContact O-C 3.43Å; F152-G177 CarbonylContact O-C 3.6Å; F152-G177 PolarHBondContact O-N 2.81Å; F152-K178 HydrophobicContact CD1-CB 4.14Å; F152-K178 HydrophobicContact CE1-CB 3.68Å; F152-K178 HydrophobicContact CE1-CD 4.02Å; F152-K178 HydrophobicContact CE1-CG 4.04Å; F152-K178 HydrophobicContact CE2-CB 4.25Å; F152-K178 HydrophobicContact CZ-CB 3.74Å; F152-K178 HydrophobicContact CZ-CD 4.45Å; F152-K178 HydrophobicContact CZ-CG 4.05Å; F152-K178 WeakPolarHBondContact O-CB 3.44Å; F152-K178 PolarHBondContact O-N 2.9Å
153S87.8Confident93.2Very high17 Ų1723.4 Ų23.412%0.11912%0.119CC..SBendtrans-99-34.5-175.6-67.50000114.1A10A10-S153 WeakPolarHBondContact CB-OG 3.48Å
154F89.5Confident93.1Very high27 Ų2726 Ų2612%0.11813%0.127CC..  trans-150.2166.3-171.243.4-117.3000109.6G63 P98 G151 H156 I173G63-F154 VanDerWaalsContact CA-CE1 3.45Å; P98-F154 HydrophobicContact CB-CE1 4.44Å; P98-F154 HydrophobicContact CB-CZ 4.24Å; P98-F154 HydrophobicContact CG-CE1 4.48Å; P98-F154 HydrophobicContact CG-CZ 4.3Å; G151-F154 PolarHBondContact N-O 2.97Å; F154-H156 AromaticContact CD1-CE1 3.97Å; F154-H156 AromaticContact CD2-CE1 3.01Å; F154-H156 WeakPolarHBondContact CD2-CE1 3.16Å; F154-H156 AromaticContact CD2-ND1 3.06Å; F154-H156 WeakPolarHBondContact CD2-ND1 3.45Å; F154-H156 AromaticContact CE1-CE1 3.95Å; F154-H156 AromaticContact CE2-CE1 3.03Å; F154-H156 WeakPolarHBondContact CE2-CE1 3.36Å; F154-H156 AromaticContact CE2-ND1 3.12Å; F154-H156 WeakPolarHBondContact CE2-ND1 3.33Å; F154-H156 AromaticContact CG-CE1 3.53Å; F154-H156 AromaticContact CG-ND1 3.97Å; F154-H156 AromaticContact CZ-CE1 3.52Å; F154-I173 WeakPolarHBondContact CA-O 3.42Å
155T93.9Very high93Very high1 Ų126.6 Ų26.61%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-116.9126.7166.6-57.60000109.2V148 D149 S150 I173 V175 I294V148-T155 HydrophobicContact CG1-CG2 4.4Å; D149-T155 CarbonylContact O-C 3.55Å; D149-T155 WeakPolarHBondContact O-CA 3.35Å; S150-T155 PolarHBondContact OG-OG1 2.8Å; T155-I173 PolarHBondContact N-O 2.91Å; T155-I173 PolarHBondContact O-N 3.21Å; T155-V175 PolarHBondContact N-O 3.44Å; T155-V175 PolarHBondContact OG1-O 3.26Å; T155-I294 HydrophobicContact CG2-CD1 3.91Å; T155-I294 HydrophobicContact CG2-CG1 3.95Å
156H94.8Very high92.9Very high4 Ų428.9 Ų28.92%0.01914%0.141CC..EExtended strand (participates in β ladder)trans-109.6140177.3-70.7113.7000110.9Y99 V148 D149 F154 V158 R172Y99-H156 HydrophobicContact CD2-CB 4.23Å; Y99-H156 AromaticContact CD2-CD2 3.68Å; Y99-H156 AromaticContact CD2-CE1 3.98Å; Y99-H156 AromaticContact CD2-CG 3.72Å; Y99-H156 AromaticContact CD2-ND1 3.91Å; Y99-H156 AromaticContact CD2-NE2 3.88Å; Y99-H156 HydrophobicContact CE2-CB 3.92Å; Y99-H156 AromaticContact CE2-CG 3.85Å; V148-H156 CarbonylContact C-O 3.4Å; V148-H156 WeakPolarHBondContact CA-O 3.14Å; D149-H156 HydrophobicContact CB-CB 4.44Å; D149-H156 PolarHBondContact N-O 2.97Å; D149-H156 PolarHBondContact O-N 3.03Å; F154-H156 AromaticContact CD1-CE1 3.97Å; F154-H156 AromaticContact CD2-CE1 3.01Å; F154-H156 WeakPolarHBondContact CD2-CE1 3.16Å; F154-H156 AromaticContact CD2-ND1 3.06Å; F154-H156 WeakPolarHBondContact CD2-ND1 3.45Å; F154-H156 AromaticContact CE1-CE1 3.95Å; F154-H156 AromaticContact CE2-CE1 3.03Å; F154-H156 WeakPolarHBondContact CE2-CE1 3.36Å; F154-H156 AromaticContact CE2-ND1 3.12Å; F154-H156 WeakPolarHBondContact CE2-ND1 3.33Å; F154-H156 AromaticContact CG-CE1 3.53Å; F154-H156 AromaticContact CG-ND1 3.97Å; F154-H156 AromaticContact CZ-CE1 3.52Å; H156-V158 HydrophobicContact CB-CG2 4.2Å; H156-R172 WeakPolarHBondContact NE2-CD 3.24Å
157I97Very high92.7Very high0 Ų035.2 Ų35.20%017%0.168CC..EExtended strand (participates in β ladder)trans-121.9115173.3-63.4155.1000106.3L146 V147 V148 I170 R171 I173 A297 I298L146-I157 HydrophobicContact CD1-CG2 3.8Å; L146-I157 HydrophobicContact CD2-CG2 4.12Å; L146-I157 HydrophobicContact CG-CG2 4.1Å; V147-I157 WeakPolarHBondContact O-CA 3.17Å; V148-I157 HydrophobicContact CG1-CG1 4.22Å; V148-I157 HydrophobicContact CG2-CG1 4.39Å; I157-I170 WeakPolarHBondContact O-CA 3.38Å; I157-R171 HydrophobicContact CB-CB 4.31Å; I157-R171 PolarHBondContact N-O 2.98Å; I157-R171 PolarHBondContact O-N 3.32Å; I157-I173 HydrophobicContact CD1-CD1 4.1Å; I157-A297 HydrophobicContact CD1-CB 3.32Å; I157-I298 HydrophobicContact CD1-CG1 3.87Å; I157-I298 HydrophobicContact CG1-CG1 4.09Å; I157-I298 HydrophobicContact CG2-CG1 4.08Å
158V96.6Very high92.5Very high1 Ų142.2 Ų42.21%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-132.1113.3-170.3-173.90000110.2Y99 V147 H156 Y160 K165 I170Y99-V158 HydrophobicContact CD2-CG2 4.24Å; Y99-V158 HydrophobicContact CE1-CG1 4.19Å; Y99-V158 HydrophobicContact CE1-CG2 4.04Å; Y99-V158 HydrophobicContact CE2-CG2 3.63Å; V147-V158 PolarHBondContact N-O 3.42Å; V147-V158 PolarHBondContact O-N 3.2Å; H156-V158 HydrophobicContact CB-CG2 4.2Å; V158-Y160 HydrophobicContact CB-CD2 4.41Å; V158-Y160 HydrophobicContact CB-CE2 3.68Å; V158-Y160 HydrophobicContact CG1-CD2 4.03Å; V158-Y160 HydrophobicContact CG1-CE1 4.36Å; V158-Y160 HydrophobicContact CG1-CE2 3.31Å; V158-Y160 VanDerWaalsContact CG1-CZ 3.49Å; V158-Y160 VanDerWaalsContact O-CD2 3.3Å; V158-Y160 WeakPolarHBondContact O-CD2 3.46Å; V158-K165 HydrophobicContact CG1-CB 4.11Å; V158-I170 HydrophobicContact CG1-CD1 4.15Å; V158-I170 HydrophobicContact CG1-CG1 4.08Å; V158-I170 HydrophobicContact CG2-CG2 4.19Å
159P96.9Very high92.3Very high0 Ų042.2 Ų42.20%020%0.201CC..EExtended strand (participates in β ladder)trans-79.6131.4173.824.3-25.5000110.9L146 K165 L166 G169 L305 F313L146-P159 HydrophobicContact CD1-CB 3.76Å; L146-P159 HydrophobicContact CD1-CG 4.3Å; P159-K165 WeakPolarHBondContact O-CA 3.43Å; P159-L166 HydrophobicContact CB-CB 4.47Å; P159-L166 HydrophobicContact CB-CD1 4.49Å; P159-L166 HydrophobicContact CG-CB 4.11Å; P159-L166 PolarHBondContact O-N 2.73Å; P159-G169 WeakPolarHBondContact CD-O 3.29Å; P159-L305 HydrophobicContact CB-CD1 3.69Å; P159-L305 HydrophobicContact CG-CD1 3.85Å; P159-F313 HydrophobicContact CB-CD1 4.05Å; P159-F313 HydrophobicContact CB-CE1 3.55Å; P159-F313 HydrophobicContact CB-CZ 3.88Å
160Y95.3Very high92.3Very high2 Ų242.1 Ų42.11%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-118.3133.8175.2-68.9-91.4000110.5Y99 S129 A132 C144 C145 V147 V158 K164 K165 F313Y99-Y160 PolarHBondContact OH-OH 3.42Å; S129-Y160 VanDerWaalsContact CA-OH 3.29Å; S129-Y160 WeakPolarHBondContact CA-OH 3.38Å; S129-Y160 PolarHBondContact N-OH 2.92Å; S129-Y160 WeakPolarHBondContact OG-CE1 3.43Å; S129-Y160 PolarHBondContact OG-OH 3.11Å; A132-Y160 HydrophobicContact CB-CD1 3.91Å; A132-Y160 HydrophobicContact CB-CD2 3.67Å; A132-Y160 HydrophobicContact CB-CE1 4.23Å; A132-Y160 HydrophobicContact CB-CE2 4Å; A132-Y160 HydrophobicContact CB-CG 3.63Å; C144-Y160 CarbonylContact C-O 3.51Å; C144-Y160 WeakPolarHBondContact CA-O 3.29Å; C145-Y160 PolarHBondContact N-O 2.81Å; C145-Y160 PolarHBondContact O-N 3.09Å; V147-Y160 HydrophobicContact CB-CD2 4.29Å; V147-Y160 HydrophobicContact CB-CE2 4.04Å; V147-Y160 HydrophobicContact CG2-CD2 3.79Å; V147-Y160 HydrophobicContact CG2-CE2 3.86Å; V158-Y160 HydrophobicContact CB-CD2 4.41Å; V158-Y160 HydrophobicContact CB-CE2 3.68Å; V158-Y160 HydrophobicContact CG1-CD2 4.03Å; V158-Y160 HydrophobicContact CG1-CE1 4.36Å; V158-Y160 HydrophobicContact CG1-CE2 3.31Å; V158-Y160 VanDerWaalsContact CG1-CZ 3.49Å; V158-Y160 VanDerWaalsContact O-CD2 3.3Å; V158-Y160 WeakPolarHBondContact O-CD2 3.46Å; Y160-K164 CarbonylContact C-O 3.59Å; Y160-K164 VanDerWaalsContact CA-O 3.3Å; Y160-K164 WeakPolarHBondContact CA-O 3.37Å; Y160-K165 HydrophobicContact CD1-CB 3.97Å; Y160-K165 HydrophobicContact CE1-CB 3.63Å; Y160-F313 WeakPolarHBondContact O-CE1 3.47Å
161C93.3Very high92.3Very high24 Ų2445 Ų4516%0.16221%0.211CC..EExtended strand (participates in β ladder)trans-130.7125172178.90000108.9L143 S163 K164 L166 M309L143-C161 CarbonylContact O-C 3.1Å; L143-C161 WeakPolarHBondContact O-CA 3.46Å; C161-S163 VanDerWaalsContact C-N 3.28Å; C161-S163 PolarHBondContact O-N 2.79Å; C161-K164 PolarHBondContact N-O 3.47Å; C161-K164 PolarHBondContact O-N 3.29Å; C161-L166 HydrophobicContact CB-CD1 4.15Å; C161-L166 HydrophobicContact CB-CD2 4.38Å; C161-L166 HydrophobicContact CB-CG 4.37Å; C161-M309 HydrophobicContact CB-CE 3.68Å; C161-M309 VanDerWaalsContact SG-CE 3.51Å
162R87.4Confident92.4Very high187 Ų18747.7 Ų47.771%0.70622%0.217SC*.THydrogen-bonded Turntrans5048.7-176.9-59.4177.5178.8176.70.3111.9L143 K164L143-R162 HydrophobicContact CD2-CG 4.43Å; L143-R162 PolarHBondContact O-N 3.32Å; R162-K164 PolarHBondContact O-N 2.97Å; R162-K164 VanDerWaalsContact O-N 3.07Å
163S81.9Confident92.5Very high69 Ų6946.7 Ų46.748%0.48321%0.213SC..THydrogen-bonded Turntrans61.69.6-177.4-52.90000116C161C161-S163 VanDerWaalsContact C-N 3.28Å; C161-S163 PolarHBondContact O-N 2.79Å
164K88.1Confident92.7Very high149 Ų14950 Ų5065%0.64823%0.23SC*.EExtended strand (participates in β ladder)trans-107.2136.6173.1-67-172.1175.6-172.50111Y160 C161 R162Y160-K164 CarbonylContact C-O 3.59Å; Y160-K164 VanDerWaalsContact CA-O 3.3Å; Y160-K164 WeakPolarHBondContact CA-O 3.37Å; C161-K164 PolarHBondContact N-O 3.47Å; C161-K164 PolarHBondContact O-N 3.29Å; R162-K164 PolarHBondContact O-N 2.97Å; R162-K164 VanDerWaalsContact O-N 3.07Å
165K92.4Very high92.7Very high17 Ų1748.8 Ų48.87%0.07422%0.224CC..EExtended strand (participates in β ladder)trans-75.1138.2174.963.6-162.8176.5-1620111.1N126 V158 P159 Y160 D395 I396N126-K165 PolarHBondContact OD1-NZ 2.96Å; V158-K165 HydrophobicContact CG1-CB 4.11Å; P159-K165 WeakPolarHBondContact O-CA 3.43Å; Y160-K165 HydrophobicContact CD1-CB 3.97Å; Y160-K165 HydrophobicContact CE1-CB 3.63Å; K165-D395 WeakPolarHBondContact CE-OD1 3.33Å; K165-D395 PolarHBondContact NZ-O 2.95Å; K165-D395 IonicContact NZ-OD1 3.67Å; K165-D395 PolarHBondContact NZ-OD1 3.42Å; K165-I396 PolarHBondContact NZ-O 3Å; K165-I396 PolarHBondContact NZ-OXT 3.44Å
166L93.9Very high92.6Very high47 Ų4748.8 Ų48.825%0.24623%0.225CC..  trans-96.8102.3176.3-56.1178.2000109.5P159 C161 E168 G169 I170 L305 M309 F313P159-L166 HydrophobicContact CB-CB 4.47Å; P159-L166 HydrophobicContact CB-CD1 4.49Å; P159-L166 HydrophobicContact CG-CB 4.11Å; P159-L166 PolarHBondContact O-N 2.73Å; C161-L166 HydrophobicContact CB-CD1 4.15Å; C161-L166 HydrophobicContact CB-CD2 4.38Å; C161-L166 HydrophobicContact CB-CG 4.37Å; L166-E168 VanDerWaalsContact C-N 3.26Å; L166-E168 PolarHBondContact O-N 3.49Å; L166-G169 PolarHBondContact O-N 2.72Å; L166-G169 VanDerWaalsContact O-N 3.13Å; L166-I170 WeakPolarHBondContact O-CG1 3.35Å; L166-L305 HydrophobicContact CB-CD2 4.03Å; L166-L305 HydrophobicContact CD1-CD1 4.09Å; L166-L305 HydrophobicContact CD1-CD2 3.92Å; L166-M309 HydrophobicContact CD1-CE 3.98Å; L166-M309 HydrophobicContact CD1-SD 4.45Å; L166-F313 HydrophobicContact CD1-CE2 4.17Å; L166-F313 HydrophobicContact CD1-CZ 3.61Å
167K91.9Very high92.5Very high134 Ų13448.6 Ų48.658%0.58322%0.224SC*.G310 helixtrans-57.6-35.3-172.7-65.8-175.5178.8-176.20113.5G169 I170K167-G169 VanDerWaalsContact C-N 3.28Å; K167-G169 PolarHBondContact O-N 2.83Å; K167-I170 PolarHBondContact O-N 3.2Å
168E91.9Very high92.2Very high147 Ų14752 Ų5269%0.68724%0.239SC*.G310 helixtrans-62.8-33.8-179.6-63.6175.7174.500112.8L166 R171 S304L166-E168 VanDerWaalsContact C-N 3.26Å; L166-E168 PolarHBondContact O-N 3.49Å; E168-R171 PolarHBondContact O-NH1 2.99Å; E168-S304 PolarHBondContact O-OG 3.29Å
169G93.2Very high92Very high0 Ų054.4 Ų54.40%025%0.251CS..G310 helixtrans-93.53.3-179.500000114.6P159 L166 K167 R171 S301 S304P159-G169 WeakPolarHBondContact CD-O 3.29Å; L166-G169 PolarHBondContact O-N 2.72Å; L166-G169 VanDerWaalsContact O-N 3.13Å; K167-G169 VanDerWaalsContact C-N 3.28Å; K167-G169 PolarHBondContact O-N 2.83Å; G169-R171 PolarHBondContact O-N 3.26Å; G169-S301 VanDerWaalsContact O-CB 3.31Å; G169-S301 WeakPolarHBondContact O-CB 3.33Å; G169-S301 PolarHBondContact O-OG 3.04Å; G169-S304 WeakPolarHBondContact CA-OG 3.42Å
170I95.6Very high91.8Very high19 Ų1954.4 Ų54.410%0.09725%0.251CS..  trans-71.8129.3178.8-60.2-176.4000109.4F100 I157 V158 L166 K167F100-I170 HydrophobicContact CE2-CB 4.37Å; F100-I170 HydrophobicContact CE2-CD1 4.12Å; F100-I170 HydrophobicContact CE2-CG2 3.95Å; F100-I170 HydrophobicContact CZ-CD1 3.95Å; I157-I170 WeakPolarHBondContact O-CA 3.38Å; V158-I170 HydrophobicContact CG1-CD1 4.15Å; V158-I170 HydrophobicContact CG1-CG1 4.08Å; V158-I170 HydrophobicContact CG2-CG2 4.19Å; L166-I170 WeakPolarHBondContact O-CG1 3.35Å; K167-I170 PolarHBondContact O-N 3.2Å
171R95.6Very high91.7Very high60 Ų6054.4 Ų54.423%0.22625%0.251CS..EExtended strand (participates in β ladder)trans-125.8140.3171.7-61.7-63.2-179.7-79.7-12.3110.4I157 E168 G169 D300 S304I157-R171 HydrophobicContact CB-CB 4.31Å; I157-R171 PolarHBondContact N-O 2.98Å; I157-R171 PolarHBondContact O-N 3.32Å; E168-R171 PolarHBondContact O-NH1 2.99Å; G169-R171 PolarHBondContact O-N 3.26Å; R171-D300 IonicContact CZ-OD2 3.86Å; R171-D300 IonicContact NE-OD2 2.73Å; R171-D300 PolarHBondContact NE-OD2 3.33Å; R171-D300 PolarHBondContact NH2-O 2.99Å; R171-D300 IonicContact NH2-OD2 3.88Å; R171-D300 PolarHBondContact NH2-OD2 3.33Å; R171-S304 VanDerWaalsContact NH2-CB 3.33Å; R171-S304 PolarHBondContact NH2-OG 2.89Å; R171-S304 VanDerWaalsContact NH2-OG 3.08Å
172R93.4Very high91.7Very high69 Ų6955.7 Ų55.726%0.2626%0.257SS..EExtended strand (participates in β ladder)trans-124.4123.8175.8175.1179.2166.1167.5-1.7108.3K62 Y64 H156 N174K62-R172 PolarHBondContact O-NH2 3.47Å; Y64-R172 PolarHBondContact OH-NH1 2.9Å; H156-R172 WeakPolarHBondContact NE2-CD 3.24Å; R172-N174 PolarHBondContact NE-OD1 2.92Å
173I93.3Very high91.9Very high6 Ų648.6 Ų48.63%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-104.5129.3173.6-50171.5000107.3F154 T155 I157 V175 E291 I294 A297F154-I173 WeakPolarHBondContact CA-O 3.42Å; T155-I173 PolarHBondContact N-O 2.91Å; T155-I173 PolarHBondContact O-N 3.21Å; I157-I173 HydrophobicContact CD1-CD1 4.1Å; I173-V175 HydrophobicContact CG2-CB 3.91Å; I173-V175 HydrophobicContact CG2-CG2 3.91Å; I173-V175 PolarHBondContact O-N 3.28Å; I173-E291 HydrophobicContact CG2-CB 4.36Å; I173-I294 HydrophobicContact CD1-CB 4.48Å; I173-I294 HydrophobicContact CD1-CG1 3.93Å; I173-A297 HydrophobicContact CD1-CB 3.66Å; I173-A297 HydrophobicContact CG1-CB 4.09Å
174N89.9Confident92.5Very high86 Ų8645.3 Ų45.346%0.4621%0.208SC..SBendtrans-78.25.5-179.9-65.6-55.7000113.8R172 E291R172-N174 PolarHBondContact NE-OD1 2.92Å; N174-E291 WeakPolarHBondContact CB-OE1 3.36Å; N174-E291 PolarHBondContact ND2-OE1 2.98Å
175V91Very high92.7Very high2 Ų238.9 Ų38.91%0.01218%0.181CC..  trans-88.9122173.8-173.80000109.2T155 I173 L179 M280 L281 P284 I289 E291T155-V175 PolarHBondContact N-O 3.44Å; T155-V175 PolarHBondContact OG1-O 3.26Å; I173-V175 HydrophobicContact CG2-CB 3.91Å; I173-V175 HydrophobicContact CG2-CG2 3.91Å; I173-V175 PolarHBondContact O-N 3.28Å; V175-L179 HydrophobicContact CB-CD2 4.21Å; V175-L179 HydrophobicContact CG1-CD2 3.88Å; V175-L179 HydrophobicContact CG2-CD2 4.01Å; V175-M280 HydrophobicContact CG1-CB 4.49Å; V175-L281 HydrophobicContact CG1-CD2 3.78Å; V175-P284 HydrophobicContact CG2-CB 4.03Å; V175-P284 HydrophobicContact CG2-CG 4.08Å; V175-I289 HydrophobicContact CG2-CG2 4.36Å; V175-E291 HydrophobicContact CG2-CB 4.35Å
176G91.8Very high92.7Very high1 Ų143.1 Ų43.11%0.0120%0.2CC..  trans-151.4-177.9176.300000111.6F152 K178 L179 L180F152-G176 CarbonylContact O-C 3.43Å; G176-K178 PolarHBondContact O-N 2.88Å; G176-K178 VanDerWaalsContact O-N 3.08Å; G176-L179 WeakPolarHBondContact O-CB 3.2Å; G176-L179 PolarHBondContact O-N 3.13Å; G176-L180 PolarHBondContact O-N 3.22Å
177G92Very high92.6Very high0 Ų042.6 Ų42.60%020%0.198CC..Hα-helixtrans-55.9-29.6-173.100000115.5G151 F152 L180 T181 K206 N323G151-G177 PolarHBondContact O-N 2.89Å; F152-G177 CarbonylContact O-C 3.6Å; F152-G177 PolarHBondContact O-N 2.81Å; G177-L180 WeakPolarHBondContact O-CB 3.34Å; G177-L180 PolarHBondContact O-N 2.88Å; G177-T181 PolarHBondContact O-N 2.87Å; G177-T181 PolarHBondContact O-OG1 3.34Å; G177-K206 PolarHBondContact O-NZ 2.97Å; G177-N323 WeakPolarHBondContact CA-OD1 3.26Å; G177-N323 PolarHBondContact N-ND2 3.31Å
178K91Very high92.6Very high72 Ų7236.3 Ų36.331%0.31317%0.17SC..Hα-helixtrans-64.5-43.2176.3-176176.9179.8175.90112.1F152 G176 L180 T181 N182F152-K178 HydrophobicContact CD1-CB 4.14Å; F152-K178 HydrophobicContact CE1-CB 3.68Å; F152-K178 HydrophobicContact CE1-CD 4.02Å; F152-K178 HydrophobicContact CE1-CG 4.04Å; F152-K178 HydrophobicContact CE2-CB 4.25Å; F152-K178 HydrophobicContact CZ-CB 3.74Å; F152-K178 HydrophobicContact CZ-CD 4.45Å; F152-K178 HydrophobicContact CZ-CG 4.05Å; F152-K178 WeakPolarHBondContact O-CB 3.44Å; F152-K178 PolarHBondContact O-N 2.9Å; G176-K178 PolarHBondContact O-N 2.88Å; G176-K178 VanDerWaalsContact O-N 3.08Å; K178-L180 VanDerWaalsContact C-N 3.34Å; K178-T181 PolarHBondContact O-N 2.82Å; K178-N182 WeakPolarHBondContact O-CB 3.47Å; K178-N182 VanDerWaalsContact O-CG 3.31Å; K178-N182 PolarHBondContact O-N 3.13Å
179L91.8Very high92.6Very high52 Ų5230.7 Ų30.727%0.27215%0.147SC..Hα-helixtrans-65.9-42.2178.3179.664.8000110.1V175 G176 T181 N182 H183 M280 I289V175-L179 HydrophobicContact CB-CD2 4.21Å; V175-L179 HydrophobicContact CG1-CD2 3.88Å; V175-L179 HydrophobicContact CG2-CD2 4.01Å; G176-L179 WeakPolarHBondContact O-CB 3.2Å; G176-L179 PolarHBondContact O-N 3.13Å; L179-T181 PolarHBondContact O-N 3.09Å; L179-N182 PolarHBondContact O-N 3.13Å; L179-H183 WeakPolarHBondContact O-CB 3.32Å; L179-H183 PolarHBondContact O-N 3.42Å; L179-M280 HydrophobicContact CD2-CE 4.14Å; L179-M280 HydrophobicContact CG-CE 4.06Å; L179-I289 HydrophobicContact CD1-CD1 4.11Å; L179-I289 HydrophobicContact CD2-CD1 3.39Å; L179-I289 HydrophobicContact CG-CD1 4.15Å
180L93.9Very high92.5Very high0 Ų040.6 Ų40.60%019%0.186CC..Hα-helixtrans-58-48.6174.7-54.7-173.9000111.7G176 G177 K178 N182 H183 L184 K206 V277 M280 L281 F326G176-L180 PolarHBondContact O-N 3.22Å; G177-L180 WeakPolarHBondContact O-CB 3.34Å; G177-L180 PolarHBondContact O-N 2.88Å; K178-L180 VanDerWaalsContact C-N 3.34Å; L180-N182 VanDerWaalsContact C-N 3.33Å; L180-N182 PolarHBondContact O-N 3.1Å; L180-H183 PolarHBondContact O-N 3.31Å; L180-L184 WeakPolarHBondContact O-CB 3.38Å; L180-L184 PolarHBondContact O-N 2.83Å; L180-K206 HydrophobicContact CB-CD 4.13Å; L180-V277 HydrophobicContact CB-CG1 3.73Å; L180-V277 HydrophobicContact CD2-CG1 4.26Å; L180-V277 WeakPolarHBondContact CD2-O 3.03Å; L180-V277 HydrophobicContact CG-CG1 4.47Å; L180-M280 HydrophobicContact CD2-CB 3.74Å; L180-M280 HydrophobicContact CD2-CG 4.34Å; L180-M280 HydrophobicContact CD2-SD 4Å; L180-L281 HydrophobicContact CD1-CD1 3.97Å; L180-L281 HydrophobicContact CD1-CD2 4.37Å; L180-L281 HydrophobicContact CD1-CG 4.12Å; L180-L281 HydrophobicContact CD2-CG 4.41Å; L180-F326 HydrophobicContact CD1-CE2 3.91Å; L180-F326 HydrophobicContact CD1-CZ 4.27Å
181T93.2Very high92.1Very high1 Ų145.7 Ų45.71%0.00620%0.204CC..Hα-helixtrans-64-38.6178-57.30000111.5G177 K178 L179 K185 T199 I202 N203 K206G177-T181 PolarHBondContact O-N 2.87Å; G177-T181 PolarHBondContact O-OG1 3.34Å; K178-T181 PolarHBondContact O-N 2.82Å; L179-T181 PolarHBondContact O-N 3.09Å; T181-K185 WeakPolarHBondContact O-CG 3.44Å; T181-K185 PolarHBondContact O-N 3.16Å; T181-T199 HydrophobicContact CG2-CG2 4Å; T181-I202 HydrophobicContact CG2-CG2 4.34Å; T181-N203 HydrophobicContact CG2-CB 4.12Å; T181-N203 PolarHBondContact OG1-OD1 3.23Å; T181-N203 VanDerWaalsContact OG1-OD1 3.05Å; T181-K206 PolarHBondContact OG1-NZ 3.38Å
182N91.6Very high91.6Very high52 Ų5246.9 Ų46.928%0.27821%0.212SC..Hα-helixtrans-66.3-44.5176.6-77.2-17.6000112.3K178 L179 L180 L184 K185 E186K178-N182 WeakPolarHBondContact O-CB 3.47Å; K178-N182 VanDerWaalsContact O-CG 3.31Å; K178-N182 PolarHBondContact O-N 3.13Å; L179-N182 PolarHBondContact O-N 3.13Å; L180-N182 VanDerWaalsContact C-N 3.33Å; L180-N182 PolarHBondContact O-N 3.1Å; N182-L184 VanDerWaalsContact C-N 3.34Å; N182-L184 PolarHBondContact O-N 3.03Å; N182-K185 WeakPolarHBondContact O-CB 3.46Å; N182-K185 PolarHBondContact O-N 2.93Å; N182-K185 WeakPolarHBondContact OD1-CE 3.32Å; N182-K185 PolarHBondContact OD1-NZ 3.29Å; N182-E186 WeakPolarHBondContact O-CG 3.4Å; N182-E186 PolarHBondContact O-N 3.33Å
183H92.6Very high91.3Very high37 Ų3746.9 Ų46.917%0.17122%0.217CC..Hα-helixtrans-64.6-40.7178-168.455.5000111.7L179 L180 K185 E186 I187 M280L179-H183 WeakPolarHBondContact O-CB 3.32Å; L179-H183 PolarHBondContact O-N 3.42Å; L180-H183 PolarHBondContact O-N 3.31Å; H183-K185 VanDerWaalsContact C-N 3.32Å; H183-K185 PolarHBondContact O-N 2.77Å; H183-E186 IonicContact ND1-OE2 3.45Å; H183-E186 WeakPolarHBondContact O-CB 3.3Å; H183-E186 PolarHBondContact O-N 3.27Å; H183-I187 WeakPolarHBondContact O-CG1 3.42Å; H183-I187 PolarHBondContact O-N 3.05Å; H183-M280 HydrophobicContact CB-CE 4.26Å; H183-M280 HydrophobicContact CB-SD 3.86Å; H183-M280 PolarHBondContact CD2-SD 2.86Å
184L93.6Very high90.9Very high0 Ų053.1 Ų53.10%025%0.246CC..Hα-helixtrans-60.3-40.7173.9-176.459.9000112L180 N182 E186 I187 I188 I202 V205 K206 L270 E273 V277L180-L184 WeakPolarHBondContact O-CB 3.38Å; L180-L184 PolarHBondContact O-N 2.83Å; N182-L184 VanDerWaalsContact C-N 3.34Å; N182-L184 PolarHBondContact O-N 3.03Å; L184-E186 PolarHBondContact O-N 3Å; L184-I187 PolarHBondContact O-N 3.36Å; L184-I188 HydrophobicContact CD1-CD1 3.75Å; L184-I188 HydrophobicContact CD1-CG1 4.12Å; L184-I188 HydrophobicContact CD2-CD1 4.43Å; L184-I188 HydrophobicContact CG-CD1 3.73Å; L184-I188 HydrophobicContact CG-CG1 4.46Å; L184-I188 VanDerWaalsContact O-CG1 3.3Å; L184-I188 WeakPolarHBondContact O-CG1 3.44Å; L184-I188 PolarHBondContact O-N 3.26Å; L184-I202 HydrophobicContact CB-CG2 4.15Å; L184-I202 HydrophobicContact CD2-CG2 3.72Å; L184-I202 HydrophobicContact CG-CG2 3.8Å; L184-V205 HydrophobicContact CD2-CG1 4.5Å; L184-K206 HydrophobicContact CD2-CB 3.81Å; L184-K206 HydrophobicContact CD2-CG 4.49Å; L184-L270 HydrophobicContact CD1-CD2 4.49Å; L184-E273 HydrophobicContact CD1-CB 4.23Å; L184-E273 HydrophobicContact CD1-CG 4.23Å; L184-V277 HydrophobicContact CB-CG2 4.15Å; L184-V277 HydrophobicContact CD1-CG2 4.13Å
185K92.7Very high90.7Very high15 Ų1549.1 Ų49.17%0.06523%0.225CC..Hα-helixtrans-60.6-43.3174.3-76.7-174.9-62.7178.10112.2T181 N182 H183 S189 V195 M196 T199 I202T181-K185 WeakPolarHBondContact O-CG 3.44Å; T181-K185 PolarHBondContact O-N 3.16Å; N182-K185 WeakPolarHBondContact O-CB 3.46Å; N182-K185 PolarHBondContact O-N 2.93Å; N182-K185 WeakPolarHBondContact OD1-CE 3.32Å; N182-K185 PolarHBondContact OD1-NZ 3.29Å; H183-K185 VanDerWaalsContact C-N 3.32Å; H183-K185 PolarHBondContact O-N 2.77Å; K185-S189 WeakPolarHBondContact O-CB 3.25Å; K185-S189 PolarHBondContact O-N 3.27Å; K185-S189 PolarHBondContact O-OG 3.45Å; K185-V195 HydrophobicContact CB-CG2 4.46Å; K185-V195 HydrophobicContact CG-CG2 4.47Å; K185-M196 HydrophobicContact CB-SD 4.03Å; K185-T199 HydrophobicContact CD-CG2 4.26Å; K185-T199 PolarHBondContact NZ-OG1 2.63Å; K185-I202 HydrophobicContact CG-CB 3.93Å; K185-I202 HydrophobicContact CG-CG1 3.96Å; K185-I202 HydrophobicContact CG-CG2 3.73Å
186E92.4Very high90.3Very high105 Ų10552.6 Ų52.649%0.49124%0.242SC..Hα-helixtrans-62.4-46.7178.8-71.1169.6-178.700111N182 H183 L184 S189 Y190N182-E186 WeakPolarHBondContact O-CG 3.4Å; N182-E186 PolarHBondContact O-N 3.33Å; H183-E186 IonicContact ND1-OE2 3.45Å; H183-E186 WeakPolarHBondContact O-CB 3.3Å; H183-E186 PolarHBondContact O-N 3.27Å; L184-E186 PolarHBondContact O-N 3Å; E186-S189 PolarHBondContact O-N 3.09Å; E186-Y190 WeakPolarHBondContact O-CB 3.27Å; E186-Y190 PolarHBondContact O-N 2.83Å
187I91.8Very high89.9Confident36 Ų3656.5 Ų56.519%0.18526%0.262CS..Hα-helixtrans-60.2-50.2178-65.7167.2000111.1H183 L184 Y190 R191 E273 V277H183-I187 WeakPolarHBondContact O-CG1 3.42Å; H183-I187 PolarHBondContact O-N 3.05Å; L184-I187 PolarHBondContact O-N 3.36Å; I187-Y190 PolarHBondContact O-N 2.76Å; I187-R191 WeakPolarHBondContact O-CB 3.46Å; I187-R191 WeakPolarHBondContact O-CG 3.05Å; I187-R191 PolarHBondContact O-N 3.39Å; I187-E273 HydrophobicContact CD1-CB 4.42Å; I187-E273 HydrophobicContact CG2-CB 4.27Å; I187-V277 HydrophobicContact CD1-CG2 4.1Å
188I92.2Very high89.4Confident2 Ų259 Ų591%0.0127%0.274CS..Hα-helixtrans-65.8-41.5-177.8-66.1168.6000110.7L184 Y190 R191 Q192 L193 V195 I202 L268 L270L184-I188 HydrophobicContact CD1-CD1 3.75Å; L184-I188 HydrophobicContact CD1-CG1 4.12Å; L184-I188 HydrophobicContact CD2-CD1 4.43Å; L184-I188 HydrophobicContact CG-CD1 3.73Å; L184-I188 HydrophobicContact CG-CG1 4.46Å; L184-I188 VanDerWaalsContact O-CG1 3.3Å; L184-I188 WeakPolarHBondContact O-CG1 3.44Å; L184-I188 PolarHBondContact O-N 3.26Å; I188-Y190 VanDerWaalsContact C-N 3.31Å; I188-Y190 PolarHBondContact O-N 2.8Å; I188-R191 PolarHBondContact O-N 3.03Å; I188-Q192 PolarHBondContact O-N 3.2Å; I188-L193 CarbonylContact C-O 3.52Å; I188-L193 PolarHBondContact O-N 3.14Å; I188-L193 VanDerWaalsContact O-N 3.14Å; I188-V195 HydrophobicContact CB-CG2 3.79Å; I188-V195 HydrophobicContact CG2-CB 4.48Å; I188-V195 HydrophobicContact CG2-CG1 4.01Å; I188-V195 HydrophobicContact CG2-CG2 3.61Å; I188-I202 HydrophobicContact CD1-CD1 3.85Å; I188-I202 HydrophobicContact CD1-CG2 4.45Å; I188-L268 HydrophobicContact CD1-CD1 4.26Å; I188-L268 HydrophobicContact CG2-CD1 4.12Å; I188-L268 HydrophobicContact CG2-CD2 3.96Å; I188-L270 HydrophobicContact CD1-CD2 4.02Å; I188-L270 HydrophobicContact CG1-CD2 4.2Å
189S92.4Very high89.2Confident29 Ų2956.6 Ų56.620%0.20327%0.265CS..Hα-helixtrans-64.7-34.9178.8-59.90000112.9K185 E186 L193 V195K185-S189 WeakPolarHBondContact O-CB 3.25Å; K185-S189 PolarHBondContact O-N 3.27Å; K185-S189 PolarHBondContact O-OG 3.45Å; E186-S189 PolarHBondContact O-N 3.09Å; S189-L193 WeakPolarHBondContact CA-O 3.1Å; S189-L193 PolarHBondContact N-O 3.36Å; S189-V195 WeakPolarHBondContact OG-CG2 3.48Å; S189-V195 PolarHBondContact OG-N 3.49Å
190Y90.6Very high88.8Confident208 Ų20856.4 Ų56.482%0.81626%0.261SS*.Hα-helixtrans-74.5-39.7176.1-175.8-99.6000112.6E186 I187 I188E186-Y190 WeakPolarHBondContact O-CB 3.27Å; E186-Y190 PolarHBondContact O-N 2.83Å; I187-Y190 PolarHBondContact O-N 2.76Å; I188-Y190 VanDerWaalsContact C-N 3.31Å; I188-Y190 PolarHBondContact O-N 2.8Å
191R87Confident88.5Confident126 Ų12656.8 Ų56.848%0.47526%0.263SS..Hα-helixtrans-89.8-36-170.6-67.4177.474.6-171.47.4114.9I187 I188 E273I187-R191 WeakPolarHBondContact O-CB 3.46Å; I187-R191 WeakPolarHBondContact O-CG 3.05Å; I187-R191 PolarHBondContact O-N 3.39Å; I188-R191 PolarHBondContact O-N 3.03Å; R191-E273 IonicContact NH1-OE1 3.69Å; R191-E273 PolarHBondContact NH1-OE1 2.83Å; R191-E273 IonicContact NH1-OE2 3.34Å; R191-E273 PolarHBondContact NH1-OE2 2.98Å
192Q85.9Confident88.3Confident86 Ų8656.8 Ų56.840%0.40226%0.263SS..THydrogen-bonded Turntrans-136.7-65.5-165.2-67178.63600113.5I188 R269I188-Q192 PolarHBondContact O-N 3.2Å; Q192-R269 PolarHBondContact NE2-O 3.11Å
193L85.8Confident88.3Confident69 Ų6954.4 Ų54.436%0.36125%0.251SS..  trans-140.5131.5-168.4-168.3116.1000109.9I188 S189 V195 L238 L268I188-L193 CarbonylContact C-O 3.52Å; I188-L193 PolarHBondContact O-N 3.14Å; I188-L193 VanDerWaalsContact O-N 3.14Å; S189-L193 WeakPolarHBondContact CA-O 3.1Å; S189-L193 PolarHBondContact N-O 3.36Å; L193-V195 HydrophobicContact CB-CG1 4.34Å; L193-V195 HydrophobicContact CD2-CG1 3.4Å; L193-V195 HydrophobicContact CG-CG1 4.39Å; L193-V195 WeakPolarHBondContact O-CG1 3.47Å; L193-V195 PolarHBondContact O-N 3.11Å; L193-L238 HydrophobicContact CD2-CD1 4.41Å; L193-L268 HydrophobicContact CB-CD2 4.14Å
194H86.3Confident88.1Confident136 Ų13653.5 Ų53.563%0.6325%0.247SC*.  trans-68.499178.2-176.7-81.1000111.2
195V84.4Confident88Confident3 Ų353.5 Ų53.52%0.01825%0.247CC..  trans-111.114.4-174.5-66.90000113.2K185 I188 S189 L193 D197 E198 I202K185-V195 HydrophobicContact CB-CG2 4.46Å; K185-V195 HydrophobicContact CG-CG2 4.47Å; I188-V195 HydrophobicContact CB-CG2 3.79Å; I188-V195 HydrophobicContact CG2-CB 4.48Å; I188-V195 HydrophobicContact CG2-CG1 4.01Å; I188-V195 HydrophobicContact CG2-CG2 3.61Å; S189-V195 WeakPolarHBondContact OG-CG2 3.48Å; S189-V195 PolarHBondContact OG-N 3.49Å; L193-V195 HydrophobicContact CB-CG1 4.34Å; L193-V195 HydrophobicContact CD2-CG1 3.4Å; L193-V195 HydrophobicContact CG-CG1 4.39Å; L193-V195 WeakPolarHBondContact O-CG1 3.47Å; L193-V195 PolarHBondContact O-N 3.11Å; V195-D197 PolarHBondContact O-N 2.86Å; V195-D197 VanDerWaalsContact O-N 3.12Å; V195-E198 HydrophobicContact CB-CB 4.42Å; V195-E198 PolarHBondContact O-N 3.31Å; V195-I202 HydrophobicContact CB-CD1 3.98Å; V195-I202 HydrophobicContact CB-CG1 3.93Å; V195-I202 HydrophobicContact CG1-CD1 4.07Å; V195-I202 HydrophobicContact CG2-CD1 3.93Å; V195-I202 HydrophobicContact CG2-CG1 3.9Å
196M84Confident88.1Confident75 Ų7553.1 Ų53.137%0.36925%0.245SC..THydrogen-bonded Turntrans-58-32.3-174-67.9-58.4-71.600113.6K185K185-M196 HydrophobicContact CB-SD 4.03Å
197D82.1Confident88.1Confident82 Ų8252.9 Ų52.944%0.43924%0.244SC..THydrogen-bonded Turntrans-82.2-20177.3-75.1-35.8000113.4K33 V195 T199K33-D197 IonicContact NZ-OD1 2.77Å; K33-D197 PolarHBondContact NZ-OD1 3.09Å; K33-D197 IonicContact NZ-OD2 2.84Å; K33-D197 PolarHBondContact NZ-OD2 3.07Å; V195-D197 PolarHBondContact O-N 2.86Å; V195-D197 VanDerWaalsContact O-N 3.12Å; D197-T199 VanDerWaalsContact C-N 3.33Å; D197-T199 PolarHBondContact O-N 3.43Å; D197-T199 VanDerWaalsContact O-N 3.16Å
198E82.9Confident88.2Confident53 Ų5354.4 Ų54.425%0.24825%0.253CS..  trans-94.551.7-170.2-62.8-60158.200112V195 Y200 V201 I202V195-E198 HydrophobicContact CB-CB 4.42Å; V195-E198 PolarHBondContact O-N 3.31Å; E198-Y200 VanDerWaalsContact C-N 3.31Å; E198-Y200 PolarHBondContact O-N 2.75Å; E198-V201 PolarHBondContact O-N 2.7Å; E198-I202 WeakPolarHBondContact O-CG1 3.25Å; E198-I202 PolarHBondContact O-N 3.03Å; E198-I202 VanDerWaalsContact O-N 3.14Å
199T85.6Confident88.2Confident21 Ų2154.5 Ų54.513%0.12925%0.253CS..Hα-helixtrans-65.6-34.6-171.9-53.40000112.8Y56 T181 K185 D197 N203Y56-T199 HydrophobicContact CE1-CG2 3.85Å; Y56-T199 WeakPolarHBondContact OH-CG2 3.23Å; T181-T199 HydrophobicContact CG2-CG2 4Å; K185-T199 HydrophobicContact CD-CG2 4.26Å; K185-T199 PolarHBondContact NZ-OG1 2.63Å; D197-T199 VanDerWaalsContact C-N 3.33Å; D197-T199 PolarHBondContact O-N 3.43Å; D197-T199 VanDerWaalsContact O-N 3.16Å; T199-N203 WeakPolarHBondContact O-CB 3.47Å; T199-N203 PolarHBondContact O-N 3.33Å
200Y83.9Confident88.3Confident48 Ų4853.4 Ų53.419%0.18825%0.245CC..Hα-helixtrans-62.7-47.9178.3177.7-104.3000111.9F30 L45 E198 N203 Q204F30-Y200 HydrophobicContact CE1-CD2 4.1Å; F30-Y200 HydrophobicContact CE1-CE2 4.43Å; L45-Y200 HydrophobicContact CD2-CE2 4.38Å; E198-Y200 VanDerWaalsContact C-N 3.31Å; E198-Y200 PolarHBondContact O-N 2.75Å; Y200-N203 PolarHBondContact O-N 3.14Å; Y200-Q204 PolarHBondContact O-N 3.13Å; Y200-Q204 PolarHBondContact OH-NE2 3.18Å; Y200-Q204 VanDerWaalsContact OH-NE2 3.07Å
201V86.7Confident88.6Confident8 Ų845.7 Ų45.75%0.04822%0.215CC..Hα-helixtrans-66.4-42.1-179.2-1780000111E198 N203 Q204 V205 L238 P239 F241E198-V201 PolarHBondContact O-N 2.7Å; V201-N203 VanDerWaalsContact C-N 3.28Å; V201-N203 PolarHBondContact O-N 3.17Å; V201-Q204 WeakPolarHBondContact O-CB 3.34Å; V201-Q204 PolarHBondContact O-N 3.04Å; V201-Q204 VanDerWaalsContact O-N 3.13Å; V201-V205 WeakPolarHBondContact O-CG2 3.15Å; V201-V205 PolarHBondContact O-N 2.87Å; V201-L238 HydrophobicContact CG1-CD2 3.67Å; V201-P239 HydrophobicContact CG1-CG 4.09Å; V201-P239 HydrophobicContact CG2-CG 4.15Å; V201-F241 HydrophobicContact CG2-CZ 3.98Å
202I90.3Very high89Confident1 Ų140 Ų401%0.00519%0.194CC..Hα-helixtrans-67.3-30.1178.2-60.6-52.7000112.3T181 L184 K185 I188 V195 E198 V205 K206 L268T181-I202 HydrophobicContact CG2-CG2 4.34Å; L184-I202 HydrophobicContact CB-CG2 4.15Å; L184-I202 HydrophobicContact CD2-CG2 3.72Å; L184-I202 HydrophobicContact CG-CG2 3.8Å; K185-I202 HydrophobicContact CG-CB 3.93Å; K185-I202 HydrophobicContact CG-CG1 3.96Å; K185-I202 HydrophobicContact CG-CG2 3.73Å; I188-I202 HydrophobicContact CD1-CD1 3.85Å; I188-I202 HydrophobicContact CD1-CG2 4.45Å; V195-I202 HydrophobicContact CB-CD1 3.98Å; V195-I202 HydrophobicContact CB-CG1 3.93Å; V195-I202 HydrophobicContact CG1-CD1 4.07Å; V195-I202 HydrophobicContact CG2-CD1 3.93Å; V195-I202 HydrophobicContact CG2-CG1 3.9Å; E198-I202 WeakPolarHBondContact O-CG1 3.25Å; E198-I202 PolarHBondContact O-N 3.03Å; E198-I202 VanDerWaalsContact O-N 3.14Å; I202-V205 HydrophobicContact CD1-CG2 4.45Å; I202-V205 PolarHBondContact O-N 3.13Å; I202-K206 PolarHBondContact O-N 3.06Å; I202-L268 HydrophobicContact CD1-CD1 4.19Å
203N90.5Very high89.4Confident2 Ų235.9 Ų35.91%0.01118%0.175CC..Hα-helixtrans-64.8-41171.4-167.164.5000111.9Y11 T181 T199 Y200 V201 K206 E207Y11-N203 PolarHBondContact OH-ND2 2.96Å; T181-N203 HydrophobicContact CG2-CB 4.12Å; T181-N203 PolarHBondContact OG1-OD1 3.23Å; T181-N203 VanDerWaalsContact OG1-OD1 3.05Å; T199-N203 WeakPolarHBondContact O-CB 3.47Å; T199-N203 PolarHBondContact O-N 3.33Å; Y200-N203 PolarHBondContact O-N 3.14Å; V201-N203 VanDerWaalsContact C-N 3.28Å; V201-N203 PolarHBondContact O-N 3.17Å; N203-K206 WeakPolarHBondContact O-CB 3.38Å; N203-K206 PolarHBondContact O-N 3.22Å; N203-K206 WeakPolarHBondContact OD1-CE 3.44Å; N203-K206 PolarHBondContact OD1-NZ 2.87Å; N203-E207 PolarHBondContact ND2-OE1 3.46Å; N203-E207 WeakPolarHBondContact O-CG 3.47Å; N203-E207 PolarHBondContact O-N 3.34Å
204Q89.3Confident89.8Confident18 Ų1836.8 Ų36.88%0.08418%0.177CC..Hα-helixtrans-62.5-44.9173.9-65.2-179.5-17.900111.8Y200 V201 K206 E207 D208Y200-Q204 PolarHBondContact O-N 3.13Å; Y200-Q204 PolarHBondContact OH-NE2 3.18Å; Y200-Q204 VanDerWaalsContact OH-NE2 3.07Å; V201-Q204 WeakPolarHBondContact O-CB 3.34Å; V201-Q204 PolarHBondContact O-N 3.04Å; V201-Q204 VanDerWaalsContact O-N 3.13Å; Q204-K206 VanDerWaalsContact C-N 3.28Å; Q204-K206 PolarHBondContact O-N 3.37Å; Q204-E207 PolarHBondContact O-N 3.35Å; Q204-E207 VanDerWaalsContact O-N 3.15Å; Q204-D208 WeakPolarHBondContact O-CB 3.46Å; Q204-D208 PolarHBondContact O-N 2.93Å
205V92.1Very high90.1Very high0 Ų035.3 Ų35.30%017%0.171CC..Hα-helixtrans-55.7-45.5176172.60000111L184 V201 I202 V209 Y236 L270L184-V205 HydrophobicContact CD2-CG1 4.5Å; V201-V205 WeakPolarHBondContact O-CG2 3.15Å; V201-V205 PolarHBondContact O-N 2.87Å; I202-V205 HydrophobicContact CD1-CG2 4.45Å; I202-V205 PolarHBondContact O-N 3.13Å; V205-V209 VanDerWaalsContact O-CB 3.24Å; V205-V209 WeakPolarHBondContact O-CB 3.45Å; V205-V209 WeakPolarHBondContact O-CG2 3.21Å; V205-V209 PolarHBondContact O-N 3.5Å; V205-Y236 HydrophobicContact CG2-CD1 3.61Å; V205-Y236 HydrophobicContact CG2-CE1 3.43Å; V205-Y236 VanDerWaalsContact CG2-CE1 3.43Å; V205-Y236 HydrophobicContact CG2-CE2 4.36Å; V205-Y236 HydrophobicContact CG2-CG 4.15Å; V205-L270 HydrophobicContact CG1-CD1 3.37Å
206K94.5Very high90.4Very high7 Ų737.1 Ų37.13%0.0318%0.179CC..Hα-helixtrans-60-49.1176.8-179.5-162.668.8-175.30111.1G177 L180 T181 L184 I202 N203 Q204 D208 C210 F326G177-K206 PolarHBondContact O-NZ 2.97Å; L180-K206 HydrophobicContact CB-CD 4.13Å; T181-K206 PolarHBondContact OG1-NZ 3.38Å; L184-K206 HydrophobicContact CD2-CB 3.81Å; L184-K206 HydrophobicContact CD2-CG 4.49Å; I202-K206 PolarHBondContact O-N 3.06Å; N203-K206 WeakPolarHBondContact O-CB 3.38Å; N203-K206 PolarHBondContact O-N 3.22Å; N203-K206 WeakPolarHBondContact OD1-CE 3.44Å; N203-K206 PolarHBondContact OD1-NZ 2.87Å; Q204-K206 VanDerWaalsContact C-N 3.28Å; Q204-K206 PolarHBondContact O-N 3.37Å; K206-D208 PolarHBondContact O-N 3.07Å; K206-C210 HydrophobicContact CG-CB 4.33Å; K206-C210 WeakPolarHBondContact O-CB 3.39Å; K206-C210 PolarHBondContact O-N 3.3Å; K206-F326 HydrophobicContact CD-CZ 4.04Å; K206-F326 HydrophobicContact CG-CE1 4.1Å; K206-F326 HydrophobicContact CG-CZ 3.97Å
207E92.7Very high90.7Very high100 Ų10042.3 Ų42.347%0.46720%0.195SC..Hα-helixtrans-65.3-37.3-178-72171.8-170.800112.7N203 Q204N203-E207 PolarHBondContact ND2-OE1 3.46Å; N203-E207 WeakPolarHBondContact O-CG 3.47Å; N203-E207 PolarHBondContact O-N 3.34Å; Q204-E207 PolarHBondContact O-N 3.35Å; Q204-E207 VanDerWaalsContact O-N 3.15Å
208D92.4Very high91.2Very high69 Ų6943.8 Ų43.837%0.36920%0.198SC..Hα-helixtrans-83.5-27.9-176.5-68.7-22.3000113.1Q204 K206 Y236 K246Q204-D208 WeakPolarHBondContact O-CB 3.46Å; Q204-D208 PolarHBondContact O-N 2.93Å; K206-D208 PolarHBondContact O-N 3.07Å; D208-Y236 HydrophobicContact CB-CE2 4.04Å; D208-Y236 PolarHBondContact OD2-OH 2.99Å; D208-K246 IonicContact OD1-NZ 3.47Å; D208-K246 PolarHBondContact OD1-NZ 3.44Å; D208-K246 IonicContact OD2-NZ 3.23Å
209V92.6Very high91.6Very high3 Ų342.9 Ų42.92%0.01820%0.195CC..Hα-helixtrans-119.3-29.1-165.5-172.50000114.2V205 R234 Y236 C249 L270 R274V205-V209 VanDerWaalsContact O-CB 3.24Å; V205-V209 WeakPolarHBondContact O-CB 3.45Å; V205-V209 WeakPolarHBondContact O-CG2 3.21Å; V205-V209 PolarHBondContact O-N 3.5Å; V209-R234 HydrophobicContact CG1-CB 4.29Å; V209-Y236 HydrophobicContact CG2-CD2 3.46Å; V209-Y236 VanDerWaalsContact CG2-CD2 3.46Å; V209-Y236 HydrophobicContact CG2-CE2 4.06Å; V209-Y236 HydrophobicContact CG2-CG 4.34Å; V209-C249 HydrophobicContact CG2-CB 4.23Å; V209-L270 HydrophobicContact CB-CD1 4.17Å; V209-L270 HydrophobicContact CG1-CB 4.48Å; V209-L270 HydrophobicContact CG1-CD1 3.83Å; V209-L270 HydrophobicContact CG2-CD1 4.29Å; V209-R274 HydrophobicContact CG1-CG 3.81Å; V209-R274 PolarHBondContact O-NE 3.2Å; V209-R274 PolarHBondContact O-NH2 2.68Å
210C95.6Very high91.9Very high7 Ų743.8 Ų43.85%0.04720%0.198CC..  trans-78.4151.7-178.3-670000112.2K206 R274 P278 F326K206-C210 HydrophobicContact CG-CB 4.33Å; K206-C210 WeakPolarHBondContact O-CB 3.39Å; K206-C210 PolarHBondContact O-N 3.3Å; C210-R274 WeakPolarHBondContact CA-O 3.44Å; C210-R274 VanDerWaalsContact CB-O 3.23Å; C210-R274 WeakPolarHBondContact CB-O 3.42Å; C210-P278 HydrophobicContact CB-CG 3.87Å; C210-F326 HydrophobicContact CB-CD1 4.17Å; C210-F326 HydrophobicContact CB-CE1 3.73Å
211Y95.6Very high92.3Very high46 Ų4647.3 Ų47.318%0.1822%0.216CC..  trans-152.6162179.165.6-85.5000110.4R274 F275Y211-R274 HydrophobicContact CD1-CB 4.27Å; Y211-R274 HydrophobicContact CE1-CB 3.94Å; Y211-R274 PolarHBondContact N-O 3.47Å; Y211-F275 HydrophobicContact CE1-CB 4.48Å; Y211-F275 HydrophobicContact CE2-CB 4.07Å; Y211-F275 WeakPolarHBondContact O-CA 3.28Å
212V96.4Very high92.4Very high5 Ų549.1 Ų49.13%0.0323%0.225CC..  trans-89.1121.6175.2176.70000109.4P278 F282 F326 P327 F329 R332V212-P278 HydrophobicContact CG2-CB 3.99Å; V212-F282 HydrophobicContact CG1-CD2 4.42Å; V212-F282 HydrophobicContact CG1-CE2 3.63Å; V212-F282 HydrophobicContact CG1-CZ 3.92Å; V212-F282 HydrophobicContact CG2-CE2 3.97Å; V212-F326 HydrophobicContact CG2-CB 3.84Å; V212-P327 PolarHBondContact N-O 3.37Å; V212-F329 HydrophobicContact CG2-CB 4.08Å; V212-F329 HydrophobicContact CG2-CD2 3.82Å; V212-F329 HydrophobicContact CG2-CG 4.39Å; V212-R332 HydrophobicContact CG1-CB 3.54Å; V212-R332 HydrophobicContact CG1-CG 3.66Å
213S94.8Very high92.3Very high1 Ų149.8 Ų49.81%0.00723%0.231CC..  trans-71.1144.5174.5177.40000110.8Q215 F216 D219 R332S213-Q215 VanDerWaalsContact OG-C 3.28Å; S213-Q215 PolarHBondContact OG-N 3.04Å; S213-Q215 VanDerWaalsContact OG-N 3.14Å; S213-Q215 PolarHBondContact OG-O 3.48Å; S213-F216 PolarHBondContact OG-N 3.39Å; S213-D219 WeakPolarHBondContact CB-OD2 3.18Å; S213-D219 VanDerWaalsContact OG-CG 3.3Å; S213-D219 PolarHBondContact OG-OD2 3.43Å; S213-R332 WeakPolarHBondContact O-CD 3.39Å; S213-R332 PolarHBondContact O-NH1 3.26Å
214Q94.1Very high92.2Very high87 Ų8756.6 Ų56.641%0.40726%0.263SS..SBendtrans-83-29.1170.3-60-57.9-42.600112.1G328Q214-G328 PolarHBondContact NE2-O 3.37Å
215Q91.8Very high92.1Very high105 Ų10559.7 Ų59.749%0.49128%0.278SS..SBendtrans-143.287.1-175.3-69.5-176.4-16.700109.4S213 Y217 K218 D219S213-Q215 VanDerWaalsContact OG-C 3.28Å; S213-Q215 PolarHBondContact OG-N 3.04Å; S213-Q215 VanDerWaalsContact OG-N 3.14Å; S213-Q215 PolarHBondContact OG-O 3.48Å; Q215-Y217 PolarHBondContact O-N 3.12Å; Q215-K218 HydrophobicContact CB-CB 4.26Å; Q215-K218 HydrophobicContact CB-CD 4.45Å; Q215-K218 HydrophobicContact CB-CG 4.32Å; Q215-K218 PolarHBondContact O-N 3.35Å; Q215-K218 VanDerWaalsContact O-N 3.17Å; Q215-D219 PolarHBondContact O-N 2.9Å; Q215-D219 VanDerWaalsContact O-N 3.1Å
216F90.7Very high91.5Very high42 Ų4268.7 Ų68.718%0.18432%0.317CS..Hα-helixtrans-52.1-49.7-171.5-177.2-94.5000113.9S213 K218 D219 M220 F275 A276 E279S213-F216 PolarHBondContact OG-N 3.39Å; F216-K218 PolarHBondContact O-N 3.35Å; F216-D219 PolarHBondContact O-N 3.48Å; F216-M220 HydrophobicContact CE1-CE 3.73Å; F216-M220 HydrophobicContact CE2-CE 4.23Å; F216-M220 HydrophobicContact CZ-CE 3.45Å; F216-M220 VanDerWaalsContact CZ-CE 3.45Å; F216-M220 WeakPolarHBondContact O-CB 3.46Å; F216-M220 PolarHBondContact O-N 3.08Å; F216-F275 AromaticContact CD2-CD2 3.76Å; F216-F275 HydrophobicContact CD2-CD2 3.76Å; F216-F275 AromaticContact CD2-CE2 3.85Å; F216-F275 HydrophobicContact CD2-CE2 3.85Å; F216-F275 AromaticContact CE2-CD2 3.74Å; F216-F275 HydrophobicContact CE2-CD2 3.74Å; F216-F275 AromaticContact CE2-CE2 3.68Å; F216-F275 HydrophobicContact CE2-CE2 3.68Å; F216-F275 HydrophobicContact CZ-CE2 4.29Å; F216-A276 HydrophobicContact CE2-CB 4.31Å; F216-E279 HydrophobicContact CD2-CB 4.17Å; F216-E279 HydrophobicContact CD2-CG 3.71Å; F216-E279 HydrophobicContact CE2-CB 4.03Å; F216-E279 HydrophobicContact CE2-CG 3.84Å; F216-E279 HydrophobicContact CG-CG 4.48Å
217Y91.4Very high90.7Very high183 Ų18370 Ų7072%0.71833%0.333SS*.Hα-helixtrans-65.3-36.2-177.2-63.6-66.6000113.3Q215 M220 E221Q215-Y217 PolarHBondContact O-N 3.12Å; Y217-M220 WeakPolarHBondContact O-CB 3.46Å; Y217-M220 PolarHBondContact O-N 3.2Å; Y217-E221 WeakPolarHBondContact O-CG 3.26Å; Y217-E221 PolarHBondContact O-N 3.02Å; Y217-E221 VanDerWaalsContact O-N 3.08Å
218K91.8Very high89.9Confident113 Ų11372.4 Ų72.449%0.49134%0.344SS..Hα-helixtrans-71.2-41.6177.9-63.1-164.6-165.4164.40111.5Q215 F216 M220 E221 I222Q215-K218 HydrophobicContact CB-CB 4.26Å; Q215-K218 HydrophobicContact CB-CD 4.45Å; Q215-K218 HydrophobicContact CB-CG 4.32Å; Q215-K218 PolarHBondContact O-N 3.35Å; Q215-K218 VanDerWaalsContact O-N 3.17Å; F216-K218 PolarHBondContact O-N 3.35Å; K218-M220 PolarHBondContact O-N 2.7Å; K218-E221 WeakPolarHBondContact O-CB 3.4Å; K218-E221 PolarHBondContact O-N 2.93Å; K218-I222 WeakPolarHBondContact O-CG1 3.36Å; K218-I222 PolarHBondContact O-N 3.07Å
219D91.9Very high89.2Confident34 Ų3475.7 Ų75.718%0.18236%0.357CS..Hα-helixtrans-64.7-31.4175-75.4-4.8000111.4S213 Q215 F216 I222 A223 F275S213-D219 WeakPolarHBondContact CB-OD2 3.18Å; S213-D219 VanDerWaalsContact OG-CG 3.3Å; S213-D219 PolarHBondContact OG-OD2 3.43Å; Q215-D219 PolarHBondContact O-N 2.9Å; Q215-D219 VanDerWaalsContact O-N 3.1Å; F216-D219 PolarHBondContact O-N 3.48Å; D219-I222 PolarHBondContact O-N 2.98Å; D219-A223 VanDerWaalsContact O-CB 3.24Å; D219-A223 WeakPolarHBondContact O-CB 3.46Å; D219-A223 PolarHBondContact O-N 3.48Å; D219-F275 HydrophobicContact CB-CD1 4.29Å; D219-F275 HydrophobicContact CB-CE1 3.91Å; D219-F275 HydrophobicContact CB-CE2 4.21Å; D219-F275 HydrophobicContact CB-CZ 3.89Å
220M91.4Very high88.8Confident41 Ų4175.7 Ų75.720%0.20236%0.357CS..Hα-helixtrans-65-42.9171.8-167.265.16800112.4F216 Y217 K218 A223 Q224 N272 F275F216-M220 HydrophobicContact CE1-CE 3.73Å; F216-M220 HydrophobicContact CE2-CE 4.23Å; F216-M220 HydrophobicContact CZ-CE 3.45Å; F216-M220 VanDerWaalsContact CZ-CE 3.45Å; F216-M220 WeakPolarHBondContact O-CB 3.46Å; F216-M220 PolarHBondContact O-N 3.08Å; Y217-M220 WeakPolarHBondContact O-CB 3.46Å; Y217-M220 PolarHBondContact O-N 3.2Å; K218-M220 PolarHBondContact O-N 2.7Å; M220-A223 PolarHBondContact O-N 2.57Å; M220-Q224 WeakPolarHBondContact O-CG 3.24Å; M220-Q224 PolarHBondContact O-N 3.28Å; M220-Q224 VanDerWaalsContact O-N 3.16Å; M220-N272 HydrophobicContact CE-CB 4.38Å; M220-N272 HydrophobicContact SD-CB 3.98Å; M220-F275 HydrophobicContact CB-CZ 4.47Å; M220-F275 HydrophobicContact CE-CE2 3.93Å; M220-F275 HydrophobicContact CE-CZ 4.16Å; M220-F275 HydrophobicContact SD-CZ 4.41Å
221E91.9Very high88.3Confident121 Ų12178.5 Ų78.557%0.56537%0.374SS*.Hα-helixtrans-61.1-45.9174.9-71.2173.6-17700111.3Y217 K218 A223 Q224 M225Y217-E221 WeakPolarHBondContact O-CG 3.26Å; Y217-E221 PolarHBondContact O-N 3.02Å; Y217-E221 VanDerWaalsContact O-N 3.08Å; K218-E221 WeakPolarHBondContact O-CB 3.4Å; K218-E221 PolarHBondContact O-N 2.93Å; E221-A223 VanDerWaalsContact C-N 3.31Å; E221-A223 PolarHBondContact O-N 2.93Å; E221-Q224 PolarHBondContact O-N 2.87Å; E221-M225 PolarHBondContact O-N 2.79Å
222I89.6Confident87.8Confident47 Ų4776.4 Ų76.424%0.24137%0.366CS..Hα-helixtrans-62.9-40.1176.9-62.2165.2000110.9K218 D219 Q224 M225 T231 V232K218-I222 WeakPolarHBondContact O-CG1 3.36Å; K218-I222 PolarHBondContact O-N 3.07Å; D219-I222 PolarHBondContact O-N 2.98Å; I222-Q224 PolarHBondContact O-N 3.06Å; I222-M225 WeakPolarHBondContact O-CB 3.38Å; I222-M225 PolarHBondContact O-N 3.43Å; I222-M225 VanDerWaalsContact O-N 3.1Å; I222-T231 WeakPolarHBondContact CG2-OG1 3.46Å; I222-V232 HydrophobicContact CB-CG2 4.41Å; I222-V232 HydrophobicContact CG2-CG2 4.07Å
223A88.2Confident87.4Confident15 Ų1577.9 Ų77.912%0.12437%0.373CS..Hα-helixtrans-65.3-23.2178.400000113.3D219 M220 E221 N230 V232 N272 F275D219-A223 VanDerWaalsContact O-CB 3.24Å; D219-A223 WeakPolarHBondContact O-CB 3.46Å; D219-A223 PolarHBondContact O-N 3.48Å; M220-A223 PolarHBondContact O-N 2.57Å; E221-A223 VanDerWaalsContact C-N 3.31Å; E221-A223 PolarHBondContact O-N 2.93Å; A223-N230 PolarHBondContact O-ND2 2.95Å; A223-V232 HydrophobicContact CB-CB 4.17Å; A223-V232 HydrophobicContact CB-CG1 4.17Å; A223-V232 HydrophobicContact CB-CG2 4.24Å; A223-N272 HydrophobicContact CB-CB 4.04Å; A223-F275 HydrophobicContact CB-CE1 4.26Å; A223-F275 HydrophobicContact CB-CZ 4.4Å
224Q87.6Confident87.2Confident145 Ų14580.5 Ų80.568%0.67838%0.383SS*.Hα-helixtrans-81.5-18174.9-70.3176.59.800113.3M220 E221 I222M220-Q224 WeakPolarHBondContact O-CG 3.24Å; M220-Q224 PolarHBondContact O-N 3.28Å; M220-Q224 VanDerWaalsContact O-N 3.16Å; E221-Q224 PolarHBondContact O-N 2.87Å; I222-Q224 PolarHBondContact O-N 3.06Å
225M86.7Confident86.9Confident82 Ų8276.4 Ų76.440%0.40436%0.364SS..SBendtrans-64.6155.4177.3-60.1-178-17800111.2E221 I222 E229 N230E221-M225 PolarHBondContact O-N 2.79Å; I222-M225 WeakPolarHBondContact O-CB 3.38Å; I222-M225 PolarHBondContact O-N 3.43Å; I222-M225 VanDerWaalsContact O-N 3.1Å; M225-E229 HydrophobicContact CB-CB 4.23Å; M225-E229 HydrophobicContact SD-CB 4.29Å; M225-N230 WeakPolarHBondContact O-CB 3.39Å; M225-N230 PolarHBondContact O-ND2 3.41Å
226K80.2Confident86.8Confident189 Ų18971.4 Ų71.482%0.82234%0.34SS*.  trans-107.6148.1-177.2-67.6-175.9-179.1177.80111.3
227G77.8Confident86.8Confident35 Ų3569.5 Ų69.536%0.36133%0.332SS..G310 helixtrans73.2-144.8174.200000112.8E229 N230G227-E229 PolarHBondContact O-N 3.37Å; G227-N230 PolarHBondContact O-N 3.5Å
228E75.6Confident86.5Confident150 Ų15061.5 Ų61.570%0.70130%0.302SS*.G310 helixtrans-67.6-19.6-173.4-66-176.6177.100113.5N230 R252 F257E228-N230 PolarHBondContact O-N 3.28Å; E228-R252 PolarHBondContact O-NH2 2.99Å; E228-F257 HydrophobicContact CG-CD2 4.31Å; E228-F257 HydrophobicContact CG-CE2 4.11Å
229E78.6Confident86.2Confident139 Ų13956.7 Ų56.765%0.6528%0.282SS*.G310 helixtrans-68.5-22.8177-65.7-179178.100112.6M225 G227 T231M225-E229 HydrophobicContact CB-CB 4.23Å; M225-E229 HydrophobicContact SD-CB 4.29Å; G227-E229 PolarHBondContact O-N 3.37Å; E229-T231 PolarHBondContact O-N 2.84Å; E229-T231 VanDerWaalsContact O-N 3.08Å
230N83.4Confident85.5Confident3 Ų358.6 Ų58.62%0.01629%0.292CS..  trans-79.693.3178.3-166.4-32.2000110.9A223 M225 G227 E228 V232 M233A223-N230 PolarHBondContact O-ND2 2.95Å; M225-N230 WeakPolarHBondContact O-CB 3.39Å; M225-N230 PolarHBondContact O-ND2 3.41Å; G227-N230 PolarHBondContact O-N 3.5Å; E228-N230 PolarHBondContact O-N 3.28Å; N230-V232 VanDerWaalsContact C-N 3.26Å; N230-V232 PolarHBondContact O-N 3.3Å; N230-V232 PolarHBondContact OD1-N 3.46Å; N230-M233 HydrophobicContact CB-CB 4.44Å; N230-M233 PolarHBondContact OD1-N 2.86Å
231T84.3Confident84.7Confident66 Ų6658.1 Ų58.141%0.40529%0.289SS..SBendtrans-74.9-16.7178.459.40000113.3I222 E229I222-T231 WeakPolarHBondContact CG2-OG1 3.46Å; E229-T231 PolarHBondContact O-N 2.84Å; E229-T231 VanDerWaalsContact O-N 3.08Å
232V86.8Confident83.8Confident2 Ų257.9 Ų57.91%0.01230%0.301CS..SBendtrans-80.6-37.2-177.1178.20000111I222 A223 N230 R234 A271 R274 F275I222-V232 HydrophobicContact CB-CG2 4.41Å; I222-V232 HydrophobicContact CG2-CG2 4.07Å; A223-V232 HydrophobicContact CB-CB 4.17Å; A223-V232 HydrophobicContact CB-CG1 4.17Å; A223-V232 HydrophobicContact CB-CG2 4.24Å; N230-V232 VanDerWaalsContact C-N 3.26Å; N230-V232 PolarHBondContact O-N 3.3Å; N230-V232 PolarHBondContact OD1-N 3.46Å; V232-R234 PolarHBondContact O-N 2.97Å; V232-A271 VanDerWaalsContact CG1-O 3.25Å; V232-A271 WeakPolarHBondContact CG1-O 3.31Å; V232-R274 VanDerWaalsContact O-CD 3.31Å; V232-R274 WeakPolarHBondContact O-CD 3.36Å; V232-R274 PolarHBondContact O-NH1 3.4Å; V232-F275 HydrophobicContact CG1-CD1 3.93Å; V232-F275 HydrophobicContact CG1-CE1 3.68Å; V232-F275 HydrophobicContact CG2-CE1 4.3Å
233M87.8Confident82.9Confident36 Ų3659.7 Ų59.718%0.17732%0.322CS..  trans-61.4131.9-176.4-169.3179.8-6600111.7N230 M255 R269 L270N230-M233 HydrophobicContact CB-CB 4.44Å; N230-M233 PolarHBondContact OD1-N 2.86Å; M233-M255 HydrophobicContact CB-CE 4.44Å; M233-M255 HydrophobicContact CG-CE 4.07Å; M233-M255 WeakPolarHBondContact O-CE 3.14Å; M233-R269 HydrophobicContact CG-CG 3.94Å; M233-R269 VanDerWaalsContact SD-CD 3.55Å; M233-R269 HydrophobicContact SD-CG 4.05Å; M233-L270 CarbonylContact C-O 3.57Å; M233-L270 WeakPolarHBondContact CA-O 3.31Å
234R89.4Confident82.3Confident56 Ų5660.7 Ų60.721%0.21133%0.325CS..EExtended strand (participates in β ladder)trans-138.2142.3175-69.9-64-178.8-158.64.6111.4V209 V232 L270 R274V209-R234 HydrophobicContact CG1-CB 4.29Å; V232-R234 PolarHBondContact O-N 2.97Å; R234-L270 PolarHBondContact N-O 3.36Å; R234-L270 PolarHBondContact O-N 3.29Å; R234-R274 VanDerWaalsContact CG-CZ 3.49Å
235D89.1Confident81.7Confident1 Ų161.9 Ų61.91%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-99.5125173.7-77-7.4000109K250 M255 T267 R269D235-K250 HydrophobicContact CB-CB 4.29Å; D235-K250 HydrophobicContact CB-CD 4.26Å; D235-K250 HydrophobicContact CB-CG 4.38Å; D235-K250 WeakPolarHBondContact O-CB 3.31Å; D235-K250 PolarHBondContact O-N 3.24Å; D235-M255 HydrophobicContact CB-CE 4.38Å; D235-T267 HydrophobicContact CB-CG2 3.61Å; D235-R269 IonicContact OD1-CZ 3.21Å; D235-R269 IonicContact OD1-NE 2.74Å; D235-R269 PolarHBondContact OD1-NE 2.92Å; D235-R269 IonicContact OD1-NH2 2.94Å; D235-R269 PolarHBondContact OD1-NH2 3.48Å; D235-R269 IonicContact OD2-CZ 2.76Å; D235-R269 IonicContact OD2-NE 3.4Å; D235-R269 IonicContact OD2-NH2 2.74Å; D235-R269 PolarHBondContact OD2-NH2 2.82Å
236Y90Very high81.5Confident0 Ų063.4 Ų63.40%033%0.333CS..EExtended strand (participates in β ladder)trans-110.9124.1176.4-172.6-84.8000110V205 D208 V209 L238 G247 C249 T267 L268V205-Y236 HydrophobicContact CG2-CD1 3.61Å; V205-Y236 HydrophobicContact CG2-CE1 3.43Å; V205-Y236 VanDerWaalsContact CG2-CE1 3.43Å; V205-Y236 HydrophobicContact CG2-CE2 4.36Å; V205-Y236 HydrophobicContact CG2-CG 4.15Å; D208-Y236 HydrophobicContact CB-CE2 4.04Å; D208-Y236 PolarHBondContact OD2-OH 2.99Å; V209-Y236 HydrophobicContact CG2-CD2 3.46Å; V209-Y236 VanDerWaalsContact CG2-CD2 3.46Å; V209-Y236 HydrophobicContact CG2-CE2 4.06Å; V209-Y236 HydrophobicContact CG2-CG 4.34Å; Y236-L238 HydrophobicContact CD1-CD2 4.29Å; Y236-L238 HydrophobicContact CE1-CD2 4.4Å; Y236-L238 PolarHBondContact O-N 2.86Å; Y236-G247 VanDerWaalsContact OH-C 3.27Å; Y236-G247 WeakPolarHBondContact OH-CA 3.49Å; Y236-G247 PolarHBondContact OH-O 2.8Å; Y236-C249 HydrophobicContact CD2-CB 4.27Å; Y236-T267 CarbonylContact O-C 3.54Å; Y236-T267 WeakPolarHBondContact O-CA 3.12Å; Y236-L268 PolarHBondContact N-O 3.07Å; Y236-L268 PolarHBondContact O-N 3.36Å
237V88.9Confident81.6Confident1 Ų154.6 Ų54.61%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-81.3119.6176.2-176.30000108.8I244 G247 F248 K250 E265V237-I244 HydrophobicContact CG1-CD1 3.94Å; V237-G247 WeakPolarHBondContact O-CA 3.22Å; V237-F248 HydrophobicContact CB-CD1 4.42Å; V237-F248 HydrophobicContact CB-CE1 4.13Å; V237-F248 HydrophobicContact CB-CZ 4.17Å; V237-F248 HydrophobicContact CG1-CE1 4.33Å; V237-F248 HydrophobicContact CG2-CE1 4.42Å; V237-F248 HydrophobicContact CG2-CE2 4.08Å; V237-F248 HydrophobicContact CG2-CZ 3.96Å; V237-F248 PolarHBondContact N-O 3.3Å; V237-F248 PolarHBondContact O-N 3.06Å; V237-K250 HydrophobicContact CG2-CD 4.09Å; V237-K250 HydrophobicContact CG2-CG 3.86Å; V237-E265 HydrophobicContact CG1-CB 4.45Å
238L86.3Confident82.1Confident16 Ų1657.1 Ų57.18%0.08430%0.297CS..PPolyproline II helixtrans-70.4143.8173.6-68.4177.6000110.2L193 V201 Y236 D240 Q266 L268L193-L238 HydrophobicContact CD2-CD1 4.41Å; V201-L238 HydrophobicContact CG1-CD2 3.67Å; Y236-L238 HydrophobicContact CD1-CD2 4.29Å; Y236-L238 HydrophobicContact CE1-CD2 4.4Å; Y236-L238 PolarHBondContact O-N 2.86Å; L238-D240 PolarHBondContact O-N 3.04Å; L238-Q266 HydrophobicContact CB-CB 4.24Å; L238-Q266 HydrophobicContact CD1-CB 4.28Å; L238-Q266 PolarHBondContact N-O 2.76Å; L238-L268 HydrophobicContact CD1-CD1 4.1Å; L238-L268 HydrophobicContact CD1-CD2 4.2Å; L238-L268 HydrophobicContact CD1-CG 3.81Å; L238-L268 HydrophobicContact CD2-CD1 3.63Å; L238-L268 HydrophobicContact CD2-CG 4.01Å; L238-L268 HydrophobicContact CG-CD1 4.1Å; L238-L268 HydrophobicContact CG-CG 3.9Å
239P84.4Confident82.6Confident11 Ų1152.1 Ų52.17%0.07128%0.278CS..PPolyproline II helixtrans-65.1131.717428.8-33.9000110.2V201 F241 I244V201-P239 HydrophobicContact CG1-CG 4.09Å; V201-P239 HydrophobicContact CG2-CG 4.15Å; P239-F241 VanDerWaalsContact C-N 3.34Å; P239-F241 HydrophobicContact CB-CD1 3.75Å; P239-F241 HydrophobicContact CB-CE1 3.52Å; P239-F241 HydrophobicContact CB-CG 4.48Å; P239-F241 HydrophobicContact CB-CZ 4.02Å; P239-F241 HydrophobicContact CG-CD1 4.24Å; P239-F241 HydrophobicContact CG-CE1 3.52Å; P239-F241 HydrophobicContact CG-CE2 4.29Å; P239-F241 HydrophobicContact CG-CZ 3.57Å; P239-I244 WeakPolarHBondContact CA-O 3.31Å; P239-I244 HydrophobicContact CB-CG2 4.42Å; P239-I244 VanDerWaalsContact CB-O 3.24Å; P239-I244 WeakPolarHBondContact CB-O 3.39Å
240D77.2Confident82.9Confident74 Ų7446.5 Ų46.540%0.39625%0.251SS..  trans-91.8-4.2173.469.81.9000112.3L238 S242 A243 I244L238-D240 PolarHBondContact O-N 3.04Å; D240-S242 PolarHBondContact O-N 3.07Å; D240-S242 PolarHBondContact O-OG 3.08Å; D240-S242 PolarHBondContact OD1-N 2.83Å; D240-A243 PolarHBondContact OD1-N 3.5Å; D240-I244 PolarHBondContact N-O 3.02Å; D240-I244 PolarHBondContact OD1-N 3.18Å
241F74.3Confident82.9Confident32 Ų3249 Ų4914%0.1427%0.268CS..SBendtrans56.15.9179.9-54.5-55.6000116P51 S52 V201 P239 I244P51-F241 HydrophobicContact CB-CD1 4.21Å; P51-F241 HydrophobicContact CB-CE1 3.98Å; P51-F241 HydrophobicContact CB-CZ 4.25Å; P51-F241 HydrophobicContact CG-CB 3.99Å; P51-F241 HydrophobicContact CG-CD1 3.04Å; P51-F241 HydrophobicContact CG-CD2 4.08Å; P51-F241 HydrophobicContact CG-CE1 3.26Å; P51-F241 HydrophobicContact CG-CE2 4.27Å; P51-F241 HydrophobicContact CG-CG 3.45Å; P51-F241 VanDerWaalsContact CG-CG 3.45Å; P51-F241 HydrophobicContact CG-CZ 3.87Å; S52-F241 VanDerWaalsContact OG-CD2 3.28Å; S52-F241 WeakPolarHBondContact OG-CD2 2.98Å; V201-F241 HydrophobicContact CG2-CZ 3.98Å; P239-F241 VanDerWaalsContact C-N 3.34Å; P239-F241 HydrophobicContact CB-CD1 3.75Å; P239-F241 HydrophobicContact CB-CE1 3.52Å; P239-F241 HydrophobicContact CB-CG 4.48Å; P239-F241 HydrophobicContact CB-CZ 4.02Å; P239-F241 HydrophobicContact CG-CD1 4.24Å; P239-F241 HydrophobicContact CG-CE1 3.52Å; P239-F241 HydrophobicContact CG-CE2 4.29Å; P239-F241 HydrophobicContact CG-CZ 3.57Å; F241-I244 PolarHBondContact N-O 3.25Å
242S73.8Confident82.5Confident116 Ų11650.3 Ų50.381%0.81127%0.265SS*.SBendtrans-105.3-50.1176.9-60.20000110.1D240D240-S242 PolarHBondContact O-N 3.07Å; D240-S242 PolarHBondContact O-OG 3.08Å; D240-S242 PolarHBondContact OD1-N 2.83Å
243A71.3Confident82Confident84 Ų8458 Ų5869%0.69430%0.301SS*.SBendtrans-109.7-36.1175.600000112D240D240-A243 PolarHBondContact OD1-N 3.5Å
244I75.8Confident81.5Confident36 Ų3662.2 Ų62.219%0.18532%0.32CS..  trans-115.3105.5-174.7-58.6169.3000108.6V237 P239 D240 F241 K246 F248V237-I244 HydrophobicContact CG1-CD1 3.94Å; P239-I244 WeakPolarHBondContact CA-O 3.31Å; P239-I244 HydrophobicContact CB-CG2 4.42Å; P239-I244 VanDerWaalsContact CB-O 3.24Å; P239-I244 WeakPolarHBondContact CB-O 3.39Å; D240-I244 PolarHBondContact N-O 3.02Å; D240-I244 PolarHBondContact OD1-N 3.18Å; F241-I244 PolarHBondContact N-O 3.25Å; I244-K246 WeakPolarHBondContact CG2-O 3.48Å; I244-F248 HydrophobicContact CD1-CE1 4.07Å; I244-F248 HydrophobicContact CG2-CD1 4.43Å; I244-F248 HydrophobicContact CG2-CE1 4.43Å
245K74.3Confident80.7Confident171 Ų17160.1 Ų60.174%0.74331%0.313SS*.SBendtrans-78.1-37.2177.5-66.4-170.7178-171.20113.3
246K82Confident79.7Confident114 Ų11462.4 Ų62.450%0.49633%0.327SS..SBendtrans-120.4131.2176.3-170.9-173.2172.2-1730108.5D208 I244D208-K246 IonicContact OD1-NZ 3.47Å; D208-K246 PolarHBondContact OD1-NZ 3.44Å; D208-K246 IonicContact OD2-NZ 3.23Å; I244-K246 WeakPolarHBondContact CG2-O 3.48Å
247G83.4Confident78.5Confident4 Ų465.8 Ų65.84%0.04134%0.342CS..  trans-63.4166.8174.200000112.2Y236 V237Y236-G247 VanDerWaalsContact OH-C 3.27Å; Y236-G247 WeakPolarHBondContact OH-CA 3.49Å; Y236-G247 PolarHBondContact OH-O 2.8Å; V237-G247 WeakPolarHBondContact O-CA 3.22Å
248F87.4Confident76.9Confident88 Ų8870.4 Ų70.439%0.38637%0.374SS..EExtended strand (participates in β ladder)trans-150.6152.7177.362.3-88.6000111.8V237 I244 K250V237-F248 HydrophobicContact CB-CD1 4.42Å; V237-F248 HydrophobicContact CB-CE1 4.13Å; V237-F248 HydrophobicContact CB-CZ 4.17Å; V237-F248 HydrophobicContact CG1-CE1 4.33Å; V237-F248 HydrophobicContact CG2-CE1 4.42Å; V237-F248 HydrophobicContact CG2-CE2 4.08Å; V237-F248 HydrophobicContact CG2-CZ 3.96Å; V237-F248 PolarHBondContact N-O 3.3Å; V237-F248 PolarHBondContact O-N 3.06Å; I244-F248 HydrophobicContact CD1-CE1 4.07Å; I244-F248 HydrophobicContact CG2-CD1 4.43Å; I244-F248 HydrophobicContact CG2-CE1 4.43Å; F248-K250 HydrophobicContact CE2-CG 4.48Å
249C86.2Confident75.3Confident44 Ų4472.9 Ų72.930%0.29740%0.404SS..EExtended strand (participates in β ladder)trans-79.2128.3174.1-169.30000110V209 Y236V209-C249 HydrophobicContact CG2-CB 4.23Å; Y236-C249 HydrophobicContact CD2-CB 4.27Å
250K84.9Confident73.8Confident21 Ų2181 Ų819%0.09144%0.438CS..PPolyproline II helixtrans-69.4135.2176.5-68-165.1178.7-173.40110.4D235 V237 F248 E265D235-K250 HydrophobicContact CB-CB 4.29Å; D235-K250 HydrophobicContact CB-CD 4.26Å; D235-K250 HydrophobicContact CB-CG 4.38Å; D235-K250 WeakPolarHBondContact O-CB 3.31Å; D235-K250 PolarHBondContact O-N 3.24Å; V237-K250 HydrophobicContact CG2-CD 4.09Å; V237-K250 HydrophobicContact CG2-CG 3.86Å; F248-K250 HydrophobicContact CE2-CG 4.48Å; K250-E265 IonicContact NZ-OE2 2.87Å; K250-E265 PolarHBondContact NZ-OE2 3.03Å
251P82.6Confident72.9Confident57 Ų5781.7 Ų81.737%0.3744%0.435SS..PPolyproline II helixtrans-54.7152.8167.4-22.132.6000111E253 E254 M255P251-E253 VanDerWaalsContact CB-OE2 3.26Å; P251-E253 WeakPolarHBondContact CB-OE2 3.01Å; P251-E253 PolarHBondContact O-N 3.45Å; P251-E254 PolarHBondContact O-N 2.89Å; P251-E254 VanDerWaalsContact O-N 3.15Å; P251-M255 WeakPolarHBondContact O-CG 3.03Å; P251-M255 PolarHBondContact O-N 3.22Å
252R77.2Confident72.1Confident93 Ų9387.9 Ų87.935%0.35146%0.462SS..G310 helixtrans-59.6-37-175.9-162.5170.4173.3-177.8-3.6111.8E228 E254 M255E228-R252 PolarHBondContact O-NH2 2.99Å; R252-E254 PolarHBondContact O-N 2.77Å; R252-M255 WeakPolarHBondContact O-CB 3.49Å; R252-M255 PolarHBondContact O-N 2.83Å
253E76.6Confident71Confident162 Ų16289.9 Ų89.976%0.75747%0.47SS*.G310 helixtrans-66.7-25.2-174.8-57.473.1-157.300111.6P251P251-E253 VanDerWaalsContact CB-OE2 3.26Å; P251-E253 WeakPolarHBondContact CB-OE2 3.01Å; P251-E253 PolarHBondContact O-N 3.45Å
254E75.8Confident70.7Confident125 Ų12589.4 Ų89.458%0.58447%0.473SS*.G310 helixtrans-98.60.4-179.4-61.2-175.9-166.600112.8P251 R252 V256P251-E254 PolarHBondContact O-N 2.89Å; P251-E254 VanDerWaalsContact O-N 3.15Å; R252-E254 PolarHBondContact O-N 2.77Å; E254-V256 PolarHBondContact O-N 2.96Å
255M73.8Confident70.7Confident12 Ų1291.2 Ų91.26%0.05948%0.481CS..  trans-72.4126.2179.4-69.1-174.361.500111M233 D235 P251 R252 F257M233-M255 HydrophobicContact CB-CE 4.44Å; M233-M255 HydrophobicContact CG-CE 4.07Å; M233-M255 WeakPolarHBondContact O-CE 3.14Å; D235-M255 HydrophobicContact CB-CE 4.38Å; P251-M255 WeakPolarHBondContact O-CG 3.03Å; P251-M255 PolarHBondContact O-N 3.22Å; R252-M255 WeakPolarHBondContact O-CB 3.49Å; R252-M255 PolarHBondContact O-N 2.83Å; M255-F257 HydrophobicContact CB-CE2 4.12Å; M255-F257 HydrophobicContact CB-CZ 4.09Å; M255-F257 HydrophobicContact CE-CE1 4.42Å; M255-F257 PolarHBondContact O-N 3.11Å
256V67.6Low71Confident50 Ų5089 Ų8930%0.30347%0.474SS..  trans-90.999.9177.4-176.90000109E254 S258 R269E254-V256 PolarHBondContact O-N 2.96Å; V256-S258 VanDerWaalsContact C-N 3.28Å; V256-S258 WeakPolarHBondContact CG1-O 3.06Å; V256-R269 PolarHBondContact O-NH2 3.19Å
257F65.1Low71.2Confident71 Ų7184.9 Ų84.931%0.31146%0.458SS..  trans-72.1-24.7174.5-61.7-78.6000112.3E228 M255E228-F257 HydrophobicContact CG-CD2 4.31Å; E228-F257 HydrophobicContact CG-CE2 4.11Å; M255-F257 HydrophobicContact CB-CE2 4.12Å; M255-F257 HydrophobicContact CB-CZ 4.09Å; M255-F257 HydrophobicContact CE-CE1 4.42Å; M255-F257 PolarHBondContact O-N 3.11Å
258S54.8Low71.4Confident97 Ų9784.8 Ų84.868%0.67846%0.456SS*.SBendtrans-10378.318064.60000112.9V256 K260V256-S258 VanDerWaalsContact C-N 3.28Å; V256-S258 WeakPolarHBondContact CG1-O 3.06Å; S258-K260 VanDerWaalsContact C-N 3.26Å; S258-K260 PolarHBondContact O-N 3.06Å
259G53.8Low71.5Confident69 Ų6983 Ų8371%0.71145%0.447SS*.SBendtrans51.5-0.1146.200000122.9
260K51.2Low71.7Confident181 Ų18181.1 Ų81.179%0.78743%0.434SS*.  trans-126.588.1177.2-71-172.1-179.6-179.30110S258S258-K260 VanDerWaalsContact C-N 3.26Å; S258-K260 PolarHBondContact O-N 3.06Å
261Y59.6Low71.9Confident88 Ų8880.7 Ų80.735%0.34543%0.434SS..  trans-61145.6165.2-63.3-80000109.5T263 T267 R269Y261-T263 PolarHBondContact O-N 3.4Å; Y261-T267 HydrophobicContact CD1-CG2 4.45Å; Y261-T267 HydrophobicContact CE1-CG2 3.98Å; Y261-R269 PolarHBondContact OH-NE 2.83Å; Y261-R269 PolarHBondContact OH-NH2 3.44Å; Y261-R269 VanDerWaalsContact OH-NH2 3.12Å
262K57.1Low72.4Confident163 Ų16380.5 Ų80.571%0.70943%0.43SS*.  trans-55.6129.9170-75.6179.8179.5172.40108.3G264K262-G264 PolarHBondContact O-N 3.39Å
263T51.7Low73.1Confident157 Ų15776.2 Ų76.296%0.96341%0.414SS*.THydrogen-bonded Turntrans-59.3106179.72.80000109.5Y261Y261-T263 PolarHBondContact O-N 3.4Å
264G64.3Low73.9Confident75 Ų7570 Ų7077%0.77338%0.384SS*.THydrogen-bonded Turntrans137.4-25.9173.300000115.7K262K262-G264 PolarHBondContact O-N 3.39Å
265E74.6Confident74.8Confident73 Ų7364 Ų6434%0.34136%0.356SS..  trans-94.4122.2-177.4-69.1170.4-16500111.6V237 K250 T267V237-E265 HydrophobicContact CG1-CB 4.45Å; K250-E265 IonicContact NZ-OE2 2.87Å; K250-E265 PolarHBondContact NZ-OE2 3.03Å; E265-T267 PolarHBondContact O-N 3.29Å
266Q81.2Confident75.8Confident126 Ų12664.4 Ų64.459%0.58936%0.361SS*.  trans-76.9117167.6-69.4-171-1.200109.3L238L238-Q266 HydrophobicContact CB-CB 4.24Å; L238-Q266 HydrophobicContact CD1-CB 4.28Å; L238-Q266 PolarHBondContact N-O 2.76Å
267T86.3Confident77Confident26 Ų2662 Ų6216%0.1635%0.346CS..EExtended strand (participates in β ladder)trans-119.3133.3-177.2-52.50000109.9D235 Y236 Y261 E265D235-T267 HydrophobicContact CB-CG2 3.61Å; Y236-T267 CarbonylContact O-C 3.54Å; Y236-T267 WeakPolarHBondContact O-CA 3.12Å; Y261-T267 HydrophobicContact CD1-CG2 4.45Å; Y261-T267 HydrophobicContact CE1-CG2 3.98Å; E265-T267 PolarHBondContact O-N 3.29Å
268L88.3Confident78.5Confident3 Ų358.7 Ų58.72%0.01633%0.332CS..EExtended strand (participates in β ladder)trans-98.3127.4169-67.9-178.1000109.7I188 L193 I202 Y236 L238I188-L268 HydrophobicContact CD1-CD1 4.26Å; I188-L268 HydrophobicContact CG2-CD1 4.12Å; I188-L268 HydrophobicContact CG2-CD2 3.96Å; L193-L268 HydrophobicContact CB-CD2 4.14Å; I202-L268 HydrophobicContact CD1-CD1 4.19Å; Y236-L268 PolarHBondContact N-O 3.07Å; Y236-L268 PolarHBondContact O-N 3.36Å; L238-L268 HydrophobicContact CD1-CD1 4.1Å; L238-L268 HydrophobicContact CD1-CD2 4.2Å; L238-L268 HydrophobicContact CD1-CG 3.81Å; L238-L268 HydrophobicContact CD2-CD1 3.63Å; L238-L268 HydrophobicContact CD2-CG 4.01Å; L238-L268 HydrophobicContact CG-CD1 4.1Å; L238-L268 HydrophobicContact CG-CG 3.9Å
269R88.9Confident80.3Confident51 Ų5154.6 Ų54.619%0.19230%0.302CS..EExtended strand (participates in β ladder)trans-96.6107.5177.2177.3158.6-73.9-175.12.7109.9Q192 M233 D235 V256 Y261Q192-R269 PolarHBondContact NE2-O 3.11Å; M233-R269 HydrophobicContact CG-CG 3.94Å; M233-R269 VanDerWaalsContact SD-CD 3.55Å; M233-R269 HydrophobicContact SD-CG 4.05Å; D235-R269 IonicContact OD1-CZ 3.21Å; D235-R269 IonicContact OD1-NE 2.74Å; D235-R269 PolarHBondContact OD1-NE 2.92Å; D235-R269 IonicContact OD1-NH2 2.94Å; D235-R269 PolarHBondContact OD1-NH2 3.48Å; D235-R269 IonicContact OD2-CZ 2.76Å; D235-R269 IonicContact OD2-NE 3.4Å; D235-R269 IonicContact OD2-NH2 2.74Å; D235-R269 PolarHBondContact OD2-NH2 2.82Å; V256-R269 PolarHBondContact O-NH2 3.19Å; Y261-R269 PolarHBondContact OH-NE 2.83Å; Y261-R269 PolarHBondContact OH-NH2 3.44Å; Y261-R269 VanDerWaalsContact OH-NH2 3.12Å
270L90.4Very high82.2Confident4 Ų451.4 Ų51.42%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-100.9131.2-178.3-60.5160.8000110L184 I188 V205 V209 M233 R234 E273 R274L184-L270 HydrophobicContact CD1-CD2 4.49Å; I188-L270 HydrophobicContact CD1-CD2 4.02Å; I188-L270 HydrophobicContact CG1-CD2 4.2Å; V205-L270 HydrophobicContact CG1-CD1 3.37Å; V209-L270 HydrophobicContact CB-CD1 4.17Å; V209-L270 HydrophobicContact CG1-CB 4.48Å; V209-L270 HydrophobicContact CG1-CD1 3.83Å; V209-L270 HydrophobicContact CG2-CD1 4.29Å; M233-L270 CarbonylContact C-O 3.57Å; M233-L270 WeakPolarHBondContact CA-O 3.31Å; R234-L270 PolarHBondContact N-O 3.36Å; R234-L270 PolarHBondContact O-N 3.29Å; L270-E273 WeakPolarHBondContact CA-OE1 3.46Å; L270-E273 HydrophobicContact CB-CG 4.16Å; L270-E273 HydrophobicContact CD2-CG 3.61Å; L270-E273 WeakPolarHBondContact CD2-OE1 3.34Å; L270-E273 HydrophobicContact CG-CG 4.49Å; L270-R274 HydrophobicContact CB-CG 3.83Å
271A90Very high84.3Confident12 Ų1242.9 Ų42.910%0.09923%0.232CC..SBendtrans-119-111.9177.800000110.5V232 E273 R274V232-A271 VanDerWaalsContact CG1-O 3.25Å; V232-A271 WeakPolarHBondContact CG1-O 3.31Å; A271-E273 WeakPolarHBondContact CA-OE2 3.5Å; A271-E273 PolarHBondContact N-OE1 3.38Å; A271-E273 PolarHBondContact N-OE2 3.3Å; A271-E273 PolarHBondContact O-N 3.13Å; A271-R274 WeakPolarHBondContact O-CB 3.26Å; A271-R274 VanDerWaalsContact O-CG 3.22Å; A271-R274 WeakPolarHBondContact O-CG 3.44Å; A271-R274 PolarHBondContact O-N 3.31Å
272N92.2Very high86Confident52 Ų5238.7 Ų38.728%0.27822%0.215SC..THydrogen-bonded Turntrans-66.2-22.8-176.261-27.7000114M220 A223 R274 F275 A276M220-N272 HydrophobicContact CE-CB 4.38Å; M220-N272 HydrophobicContact SD-CB 3.98Å; A223-N272 HydrophobicContact CB-CB 4.04Å; N272-R274 PolarHBondContact O-N 3.14Å; N272-R274 VanDerWaalsContact O-N 3.07Å; N272-F275 HydrophobicContact CB-CE1 4.03Å; N272-F275 HydrophobicContact CB-CZ 3.82Å; N272-F275 PolarHBondContact O-N 3.14Å; N272-A276 VanDerWaalsContact O-CB 3.25Å; N272-A276 WeakPolarHBondContact O-CB 3.15Å; N272-A276 PolarHBondContact O-N 2.76Å
273E92.5Very high87.7Confident4 Ų433.7 Ų33.72%0.01919%0.194CC..Hα-helixtrans-57.9-22.6175.559.4-93.9-130.500113.4L184 I187 R191 L270 A271 F275 V277L184-E273 HydrophobicContact CD1-CB 4.23Å; L184-E273 HydrophobicContact CD1-CG 4.23Å; I187-E273 HydrophobicContact CD1-CB 4.42Å; I187-E273 HydrophobicContact CG2-CB 4.27Å; R191-E273 IonicContact NH1-OE1 3.69Å; R191-E273 PolarHBondContact NH1-OE1 2.83Å; R191-E273 IonicContact NH1-OE2 3.34Å; R191-E273 PolarHBondContact NH1-OE2 2.98Å; L270-E273 WeakPolarHBondContact CA-OE1 3.46Å; L270-E273 HydrophobicContact CB-CG 4.16Å; L270-E273 HydrophobicContact CD2-CG 3.61Å; L270-E273 WeakPolarHBondContact CD2-OE1 3.34Å; L270-E273 HydrophobicContact CG-CG 4.49Å; A271-E273 WeakPolarHBondContact CA-OE2 3.5Å; A271-E273 PolarHBondContact N-OE1 3.38Å; A271-E273 PolarHBondContact N-OE2 3.3Å; A271-E273 PolarHBondContact O-N 3.13Å; E273-F275 VanDerWaalsContact C-N 3.29Å; E273-F275 PolarHBondContact O-N 3.08Å; E273-V277 WeakPolarHBondContact O-CB 3.38Å; E273-V277 WeakPolarHBondContact O-CG2 3.48Å; E273-V277 PolarHBondContact O-N 2.92Å
274R94.1Very high89.6Confident31 Ų3126.2 Ų26.212%0.11715%0.149CC..Hα-helixtrans-62.3-35.6179.2-62.1-178.460.8-146.1-4.1113V209 C210 Y211 V232 R234 L270 A271 N272 P278V209-R274 HydrophobicContact CG1-CG 3.81Å; V209-R274 PolarHBondContact O-NE 3.2Å; V209-R274 PolarHBondContact O-NH2 2.68Å; C210-R274 WeakPolarHBondContact CA-O 3.44Å; C210-R274 VanDerWaalsContact CB-O 3.23Å; C210-R274 WeakPolarHBondContact CB-O 3.42Å; Y211-R274 HydrophobicContact CD1-CB 4.27Å; Y211-R274 HydrophobicContact CE1-CB 3.94Å; Y211-R274 PolarHBondContact N-O 3.47Å; V232-R274 VanDerWaalsContact O-CD 3.31Å; V232-R274 WeakPolarHBondContact O-CD 3.36Å; V232-R274 PolarHBondContact O-NH1 3.4Å; R234-R274 VanDerWaalsContact CG-CZ 3.49Å; L270-R274 HydrophobicContact CB-CG 3.83Å; A271-R274 WeakPolarHBondContact O-CB 3.26Å; A271-R274 VanDerWaalsContact O-CG 3.22Å; A271-R274 WeakPolarHBondContact O-CG 3.44Å; A271-R274 PolarHBondContact O-N 3.31Å; N272-R274 PolarHBondContact O-N 3.14Å; N272-R274 VanDerWaalsContact O-N 3.07Å; R274-P278 WeakPolarHBondContact O-CD 3.42Å
275F94.4Very high90.6Very high0 Ų026.2 Ų26.20%014%0.136CC..Hα-helixtrans-111.3-25.1178.564-99.8000112.8Y211 F216 D219 M220 A223 V232 N272 E273 V277 P278 E279Y211-F275 HydrophobicContact CE1-CB 4.48Å; Y211-F275 HydrophobicContact CE2-CB 4.07Å; Y211-F275 WeakPolarHBondContact O-CA 3.28Å; F216-F275 AromaticContact CD2-CD2 3.76Å; F216-F275 HydrophobicContact CD2-CD2 3.76Å; F216-F275 AromaticContact CD2-CE2 3.85Å; F216-F275 HydrophobicContact CD2-CE2 3.85Å; F216-F275 AromaticContact CE2-CD2 3.74Å; F216-F275 HydrophobicContact CE2-CD2 3.74Å; F216-F275 AromaticContact CE2-CE2 3.68Å; F216-F275 HydrophobicContact CE2-CE2 3.68Å; F216-F275 HydrophobicContact CZ-CE2 4.29Å; D219-F275 HydrophobicContact CB-CD1 4.29Å; D219-F275 HydrophobicContact CB-CE1 3.91Å; D219-F275 HydrophobicContact CB-CE2 4.21Å; D219-F275 HydrophobicContact CB-CZ 3.89Å; M220-F275 HydrophobicContact CB-CZ 4.47Å; M220-F275 HydrophobicContact CE-CE2 3.93Å; M220-F275 HydrophobicContact CE-CZ 4.16Å; M220-F275 HydrophobicContact SD-CZ 4.41Å; A223-F275 HydrophobicContact CB-CE1 4.26Å; A223-F275 HydrophobicContact CB-CZ 4.4Å; V232-F275 HydrophobicContact CG1-CD1 3.93Å; V232-F275 HydrophobicContact CG1-CE1 3.68Å; V232-F275 HydrophobicContact CG2-CE1 4.3Å; N272-F275 HydrophobicContact CB-CE1 4.03Å; N272-F275 HydrophobicContact CB-CZ 3.82Å; N272-F275 PolarHBondContact O-N 3.14Å; E273-F275 VanDerWaalsContact C-N 3.29Å; E273-F275 PolarHBondContact O-N 3.08Å; F275-V277 VanDerWaalsContact C-N 3.33Å; F275-V277 PolarHBondContact O-N 2.77Å; F275-P278 WeakPolarHBondContact O-CD 3.47Å; F275-E279 WeakPolarHBondContact O-CB 3.38Å; F275-E279 PolarHBondContact O-N 2.85Å; F275-E279 VanDerWaalsContact O-N 3.12Å
276A93.3Very high90.9Very high20 Ų2028.4 Ų28.417%0.16515%0.15CC..Hα-helixtrans-67.7-31.7176.400000113.1F216 N272F216-A276 HydrophobicContact CE2-CB 4.31Å; N272-A276 VanDerWaalsContact O-CB 3.25Å; N272-A276 WeakPolarHBondContact O-CB 3.15Å; N272-A276 PolarHBondContact O-N 2.76Å
277V94.2Very high90.5Very high0 Ų025.4 Ų25.40%014%0.138CC..Hα-helixtrans-67.6-53.9176.2169.40000111L180 L184 I187 E273 F275 E279 M280L180-V277 HydrophobicContact CB-CG1 3.73Å; L180-V277 HydrophobicContact CD2-CG1 4.26Å; L180-V277 WeakPolarHBondContact CD2-O 3.03Å; L180-V277 HydrophobicContact CG-CG1 4.47Å; L184-V277 HydrophobicContact CB-CG2 4.15Å; L184-V277 HydrophobicContact CD1-CG2 4.13Å; I187-V277 HydrophobicContact CD1-CG2 4.1Å; E273-V277 WeakPolarHBondContact O-CB 3.38Å; E273-V277 WeakPolarHBondContact O-CG2 3.48Å; E273-V277 PolarHBondContact O-N 2.92Å; F275-V277 VanDerWaalsContact C-N 3.33Å; F275-V277 PolarHBondContact O-N 2.77Å; V277-E279 PolarHBondContact O-N 3.33Å; V277-M280 WeakPolarHBondContact O-CB 3.25Å; V277-M280 VanDerWaalsContact O-CG 3.26Å; V277-M280 WeakPolarHBondContact O-CG 3.41Å; V277-M280 PolarHBondContact O-N 2.94Å
278P95.1Very high90.3Very high1 Ų127.3 Ų27.31%0.00616%0.162CC..Hα-helixtrans-60.8-26.2174.7-26.936.9000114.8C210 V212 R274 F275 M280 L281 F326C210-P278 HydrophobicContact CB-CG 3.87Å; V212-P278 HydrophobicContact CG2-CB 3.99Å; R274-P278 WeakPolarHBondContact O-CD 3.42Å; F275-P278 WeakPolarHBondContact O-CD 3.47Å; P278-M280 PolarHBondContact O-N 2.53Å; P278-M280 VanDerWaalsContact O-N 3.13Å; P278-L281 WeakPolarHBondContact O-CB 3.34Å; P278-L281 PolarHBondContact O-N 3.07Å; P278-F326 HydrophobicContact CB-CD2 4.37Å; P278-F326 HydrophobicContact CG-CD1 4.35Å; P278-F326 HydrophobicContact CG-CD2 4.49Å; P278-F326 HydrophobicContact CG-CE1 4.28Å; P278-F326 HydrophobicContact CG-CE2 4.43Å; P278-F326 HydrophobicContact CG-CG 4.48Å; P278-F326 HydrophobicContact CG-CZ 4.33Å
279E94.4Very high90.2Very high11 Ų1129.1 Ų29.15%0.05117%0.172CC..Hα-helixtrans-58.3-25.2176.5-166.167.6-155.900112.1F216 F275 V277 L281 F282 H283 R332F216-E279 HydrophobicContact CD2-CB 4.17Å; F216-E279 HydrophobicContact CD2-CG 3.71Å; F216-E279 HydrophobicContact CE2-CB 4.03Å; F216-E279 HydrophobicContact CE2-CG 3.84Å; F216-E279 HydrophobicContact CG-CG 4.48Å; F275-E279 WeakPolarHBondContact O-CB 3.38Å; F275-E279 PolarHBondContact O-N 2.85Å; F275-E279 VanDerWaalsContact O-N 3.12Å; V277-E279 PolarHBondContact O-N 3.33Å; E279-L281 PolarHBondContact O-N 3Å; E279-L281 VanDerWaalsContact O-N 3.07Å; E279-F282 CarbonylContact O-C 3.6Å; E279-F282 WeakPolarHBondContact O-CA 3.42Å; E279-F282 PolarHBondContact O-N 2.66Å; E279-H283 PolarHBondContact O-N 2.97Å; E279-H283 IonicContact OE1-CE1 3.5Å; E279-H283 PolarHBondContact OE1-CE1 2.96Å; E279-H283 IonicContact OE1-CG 3.88Å; E279-H283 IonicContact OE1-ND1 3.56Å; E279-H283 PolarHBondContact OE1-ND1 3.2Å; E279-R332 IonicContact OE1-CZ 3.86Å; E279-R332 IonicContact OE1-NH1 3.03Å; E279-R332 IonicContact OE1-NH2 3.13Å; E279-R332 PolarHBondContact OE1-NH2 3.08Å; E279-R332 IonicContact OE2-CZ 2.73Å; E279-R332 IonicContact OE2-NH1 2.7Å; E279-R332 PolarHBondContact OE2-NH1 3.36Å; E279-R332 VanDerWaalsContact OE2-NH1 3.08Å; E279-R332 IonicContact OE2-NH2 3.84Å
280M93Very high90.2Very high2 Ų235.8 Ų35.81%0.0121%0.205CC..THydrogen-bonded Turntrans-57.6-22.5173.5-63.4179.178.200114V175 L179 L180 H183 V277 P278 F282 P284 I287 I289V175-M280 HydrophobicContact CG1-CB 4.49Å; L179-M280 HydrophobicContact CD2-CE 4.14Å; L179-M280 HydrophobicContact CG-CE 4.06Å; L180-M280 HydrophobicContact CD2-CB 3.74Å; L180-M280 HydrophobicContact CD2-CG 4.34Å; L180-M280 HydrophobicContact CD2-SD 4Å; H183-M280 HydrophobicContact CB-CE 4.26Å; H183-M280 HydrophobicContact CB-SD 3.86Å; H183-M280 PolarHBondContact CD2-SD 2.86Å; V277-M280 WeakPolarHBondContact O-CB 3.25Å; V277-M280 VanDerWaalsContact O-CG 3.26Å; V277-M280 WeakPolarHBondContact O-CG 3.41Å; V277-M280 PolarHBondContact O-N 2.94Å; P278-M280 PolarHBondContact O-N 2.53Å; P278-M280 VanDerWaalsContact O-N 3.13Å; M280-F282 VanDerWaalsContact C-N 3.33Å; M280-P284 WeakPolarHBondContact O-CD 3.45Å; M280-P284 WeakPolarHBondContact O-CG 3.41Å; M280-I287 HydrophobicContact CE-CB 4.36Å; M280-I287 HydrophobicContact CE-CD1 4.25Å; M280-I287 HydrophobicContact CE-CG2 4.2Å; M280-I287 HydrophobicContact CG-CD1 3.36Å; M280-I287 HydrophobicContact CG-CG1 4.23Å; M280-I287 HydrophobicContact SD-CD1 3.87Å; M280-I289 HydrophobicContact CE-CD1 3.56Å
281L95.1Very high90.2Very high2 Ų238.2 Ų38.21%0.0122%0.216CC..THydrogen-bonded Turntrans-76.6-23.3174.7-65.1172.5000112.3V175 L180 P278 E279 I294 N323 F326 F329V175-L281 HydrophobicContact CG1-CD2 3.78Å; L180-L281 HydrophobicContact CD1-CD1 3.97Å; L180-L281 HydrophobicContact CD1-CD2 4.37Å; L180-L281 HydrophobicContact CD1-CG 4.12Å; L180-L281 HydrophobicContact CD2-CG 4.41Å; P278-L281 WeakPolarHBondContact O-CB 3.34Å; P278-L281 PolarHBondContact O-N 3.07Å; E279-L281 PolarHBondContact O-N 3Å; E279-L281 VanDerWaalsContact O-N 3.07Å; L281-I294 HydrophobicContact CB-CD1 3.92Å; L281-I294 HydrophobicContact CD2-CD1 4.32Å; L281-I294 WeakPolarHBondContact O-CG1 3.46Å; L281-I294 PolarHBondContact O-N 3.43Å; L281-N323 HydrophobicContact CD1-CB 4.04Å; L281-F326 HydrophobicContact CD1-CE2 4.46Å; L281-F329 HydrophobicContact CD1-CE2 3.95Å
282F95Very high90.4Very high0 Ų041 Ų410%023%0.228CC..THydrogen-bonded Turntrans-100.8-41.4-178.1-66.2-91.4000111.5V212 E279 M280 G293 P295 F329 R332 L333 E336V212-F282 HydrophobicContact CG1-CD2 4.42Å; V212-F282 HydrophobicContact CG1-CE2 3.63Å; V212-F282 HydrophobicContact CG1-CZ 3.92Å; V212-F282 HydrophobicContact CG2-CE2 3.97Å; E279-F282 CarbonylContact O-C 3.6Å; E279-F282 WeakPolarHBondContact O-CA 3.42Å; E279-F282 PolarHBondContact O-N 2.66Å; M280-F282 VanDerWaalsContact C-N 3.33Å; F282-G293 WeakPolarHBondContact O-CA 3.37Å; F282-P295 HydrophobicContact CD1-CG 3.76Å; F282-P295 HydrophobicContact CE1-CG 4.31Å; F282-F329 HydrophobicContact CE2-CD2 4.12Å; F282-F329 AromaticContact CE2-CE2 3.93Å; F282-F329 HydrophobicContact CE2-CE2 3.93Å; F282-F329 HydrophobicContact CZ-CD2 4.04Å; F282-F329 AromaticContact CZ-CE2 3.86Å; F282-F329 HydrophobicContact CZ-CE2 3.86Å; F282-F329 HydrophobicContact CZ-CG 4.44Å; F282-F329 HydrophobicContact CZ-CZ 4.15Å; F282-R332 HydrophobicContact CD1-CG 4.1Å; F282-R332 HydrophobicContact CE1-CB 4.29Å; F282-R332 HydrophobicContact CE1-CG 3.7Å; F282-R332 HydrophobicContact CE2-CG 4.46Å; F282-R332 HydrophobicContact CZ-CB 4.23Å; F282-R332 HydrophobicContact CZ-CG 3.91Å; F282-L333 HydrophobicContact CE1-CB 4.16Å; F282-L333 HydrophobicContact CE1-CD1 4.4Å; F282-E336 HydrophobicContact CD1-CG 4.4Å
283H92.8Very high90.5Very high57 Ų5738.6 Ų38.626%0.26422%0.215SC..  trans-134.471.7-179.1-58.5100000111E279 S285 D286 E336E279-H283 PolarHBondContact O-N 2.97Å; E279-H283 IonicContact OE1-CE1 3.5Å; E279-H283 PolarHBondContact OE1-CE1 2.96Å; E279-H283 IonicContact OE1-CG 3.88Å; E279-H283 IonicContact OE1-ND1 3.56Å; E279-H283 PolarHBondContact OE1-ND1 3.2Å; H283-S285 PolarHBondContact O-N 3.05Å; H283-D286 PolarHBondContact O-N 3.43Å; H283-E336 IonicContact CE1-OE1 3.83Å
284P91.2Very high90.7Very high1 Ų138.5 Ų38.51%0.00622%0.215CC..G310 helixtrans-61-31.7179.8-1421.9000113.8V175 M280 D286 I287 I289 E291 M292V175-P284 HydrophobicContact CG2-CB 4.03Å; V175-P284 HydrophobicContact CG2-CG 4.08Å; M280-P284 WeakPolarHBondContact O-CD 3.45Å; M280-P284 WeakPolarHBondContact O-CG 3.41Å; P284-D286 PolarHBondContact O-N 2.89Å; P284-I287 PolarHBondContact O-N 2.73Å; P284-I287 VanDerWaalsContact O-N 3.14Å; P284-I289 CarbonylContact C-O 3.33Å; P284-I289 HydrophobicContact CB-CB 4.11Å; P284-I289 HydrophobicContact CB-CG2 4.31Å; P284-I289 PolarHBondContact O-N 2.95Å; P284-E291 HydrophobicContact CB-CB 4.28Å; P284-E291 HydrophobicContact CG-CB 4.34Å; P284-M292 WeakPolarHBondContact CG-O 3.34Å
285S86.9Confident90.9Very high74 Ų7437.2 Ų37.252%0.51721%0.21SC..G310 helixtrans-62.1-28.1-176.2-72.30000113.3H283 I287 G288 I289H283-S285 PolarHBondContact O-N 3.05Å; S285-I287 PolarHBondContact O-N 2.91Å; S285-G288 PolarHBondContact O-N 3.44Å; S285-I289 VanDerWaalsContact CA-O 3.28Å; S285-I289 WeakPolarHBondContact CA-O 3.42Å; S285-I289 PolarHBondContact N-O 3.02Å
286D79.4Confident90.9Very high119 Ų11941.2 Ų41.264%0.63623%0.229SC*.G310 helixtrans-64.3-21.7178.5-70.1-9.4000112.8H283 P284H283-D286 PolarHBondContact O-N 3.43Å; P284-D286 PolarHBondContact O-N 2.89Å
287I74Confident91.1Very high64 Ų6440.4 Ų40.433%0.32822%0.222SC..G310 helixtrans-106.515.1178.9-47.2-162.9000110.8M280 P284 S285 I289M280-I287 HydrophobicContact CE-CB 4.36Å; M280-I287 HydrophobicContact CE-CD1 4.25Å; M280-I287 HydrophobicContact CE-CG2 4.2Å; M280-I287 HydrophobicContact CG-CD1 3.36Å; M280-I287 HydrophobicContact CG-CG1 4.23Å; M280-I287 HydrophobicContact SD-CD1 3.87Å; P284-I287 PolarHBondContact O-N 2.73Å; P284-I287 VanDerWaalsContact O-N 3.14Å; S285-I287 PolarHBondContact O-N 2.91Å; I287-I289 VanDerWaalsContact C-N 3.33Å; I287-I289 PolarHBondContact O-N 3.05Å
288G80.4Confident91.3Very high65 Ų6540.4 Ų40.467%0.6722%0.222SC*.THydrogen-bonded Turntrans7815.4176.500000114.3S285S285-G288 PolarHBondContact O-N 3.44Å
289I86.2Confident91.3Very high42 Ų4241.1 Ų41.122%0.21523%0.229CC..  trans-94.5110173.4-55.1-178.3000107.7V175 L179 M280 P284 S285 I287 E291V175-I289 HydrophobicContact CG2-CG2 4.36Å; L179-I289 HydrophobicContact CD1-CD1 4.11Å; L179-I289 HydrophobicContact CD2-CD1 3.39Å; L179-I289 HydrophobicContact CG-CD1 4.15Å; M280-I289 HydrophobicContact CE-CD1 3.56Å; P284-I289 CarbonylContact C-O 3.33Å; P284-I289 HydrophobicContact CB-CB 4.11Å; P284-I289 HydrophobicContact CB-CG2 4.31Å; P284-I289 PolarHBondContact O-N 2.95Å; S285-I289 VanDerWaalsContact CA-O 3.28Å; S285-I289 WeakPolarHBondContact CA-O 3.42Å; S285-I289 PolarHBondContact N-O 3.02Å; I287-I289 VanDerWaalsContact C-N 3.33Å; I287-I289 PolarHBondContact O-N 3.05Å; I289-E291 HydrophobicContact CG2-CB 4.08Å; I289-E291 HydrophobicContact CG2-CG 3.81Å; I289-E291 PolarHBondContact O-N 3.49Å
290Q89.6Confident91.5Very high191 Ų19143.2 Ų43.289%0.89324%0.24SC*.  trans-76.668.5-179.9-64.1-157.7-25.200111.6
291E90.9Very high91.7Very high54 Ų5443.1 Ų43.125%0.25224%0.24SC..  trans-134.6154.8176.5-71.3-79.8-167.800108.7I173 N174 V175 P284 I289I173-E291 HydrophobicContact CG2-CB 4.36Å; N174-E291 WeakPolarHBondContact CB-OE1 3.36Å; N174-E291 PolarHBondContact ND2-OE1 2.98Å; V175-E291 HydrophobicContact CG2-CB 4.35Å; P284-E291 HydrophobicContact CB-CB 4.28Å; P284-E291 HydrophobicContact CG-CB 4.34Å; I289-E291 HydrophobicContact CG2-CB 4.08Å; I289-E291 HydrophobicContact CG2-CG 3.81Å; I289-E291 PolarHBondContact O-N 3.49Å
292M93.1Very high91.7Very high72 Ų7243 Ų4336%0.35524%0.239SC..  trans-74.2151.1175.3-63.1176.272.600111.3P284 E296 A297 D300P284-M292 WeakPolarHBondContact CG-O 3.34Å; M292-E296 HydrophobicContact CB-CB 4.31Å; M292-E296 HydrophobicContact CE-CB 3.66Å; M292-E296 WeakPolarHBondContact CE-O 3.47Å; M292-A297 HydrophobicContact CB-CB 4.28Å; M292-D300 HydrophobicContact CE-CB 3.79Å
293G95.4Very high91.8Very high0 Ų050 Ų500%027%0.272CS..  trans-65.7158.4165.300000112.6F282 P295 E296 A297F282-G293 WeakPolarHBondContact O-CA 3.37Å; G293-P295 VanDerWaalsContact C-CD 3.47Å; G293-E296 PolarHBondContact N-OE2 3.08Å; G293-E296 PolarHBondContact O-N 3.32Å; G293-A297 WeakPolarHBondContact O-CB 3.11Å; G293-A297 PolarHBondContact O-N 2.8Å
294I96.9Very high91.9Very high2 Ų249.4 Ų49.41%0.0127%0.274CS..Hα-helixtrans-54-45.8171-66171.2000112.2V148 T155 I173 L281 E296 A297 I298 F329 L333V148-I294 HydrophobicContact CG1-CG2 3.95Å; T155-I294 HydrophobicContact CG2-CD1 3.91Å; T155-I294 HydrophobicContact CG2-CG1 3.95Å; I173-I294 HydrophobicContact CD1-CB 4.48Å; I173-I294 HydrophobicContact CD1-CG1 3.93Å; L281-I294 HydrophobicContact CB-CD1 3.92Å; L281-I294 HydrophobicContact CD2-CD1 4.32Å; L281-I294 WeakPolarHBondContact O-CG1 3.46Å; L281-I294 PolarHBondContact O-N 3.43Å; I294-E296 PolarHBondContact O-N 3.39Å; I294-A297 PolarHBondContact O-N 3.03Å; I294-I298 HydrophobicContact CG2-CD1 3.88Å; I294-I298 VanDerWaalsContact O-CG1 3.31Å; I294-I298 WeakPolarHBondContact O-CG1 3.22Å; I294-I298 PolarHBondContact O-N 3.07Å; I294-F329 HydrophobicContact CD1-CE2 4.39Å; I294-F329 HydrophobicContact CD1-CZ 3.86Å; I294-L333 HydrophobicContact CG2-CD1 4.01Å; I294-L333 HydrophobicContact CG2-CD2 4.47Å
295P96.8Very high92.1Very high4 Ų449.9 Ų49.93%0.02628%0.276CS..Hα-helixtrans-62.2-43.9179.6-19.330.4000112.9F282 G293 I298 A299 L333 E336 L337 L340F282-P295 HydrophobicContact CD1-CG 3.76Å; F282-P295 HydrophobicContact CE1-CG 4.31Å; G293-P295 VanDerWaalsContact C-CD 3.47Å; P295-I298 PolarHBondContact O-N 2.97Å; P295-A299 PolarHBondContact O-N 3.5Å; P295-A299 VanDerWaalsContact O-N 3.12Å; P295-L333 HydrophobicContact CB-CD1 4.19Å; P295-L333 HydrophobicContact CG-CD1 3.81Å; P295-E336 HydrophobicContact CB-CB 3.83Å; P295-E336 HydrophobicContact CG-CB 3.73Å; P295-E336 HydrophobicContact CG-CG 4.19Å; P295-L337 HydrophobicContact CB-CD2 4.24Å; P295-L340 HydrophobicContact CB-CD1 3.87Å
296E96.1Very high92.6Very high85 Ų8550 Ų5040%0.39728%0.275SS..Hα-helixtrans-64.5-43.6179.4-59.9177151.600111.2M292 G293 I294 I298 A299 D300M292-E296 HydrophobicContact CB-CB 4.31Å; M292-E296 HydrophobicContact CE-CB 3.66Å; M292-E296 WeakPolarHBondContact CE-O 3.47Å; G293-E296 PolarHBondContact N-OE2 3.08Å; G293-E296 PolarHBondContact O-N 3.32Å; I294-E296 PolarHBondContact O-N 3.39Å; E296-I298 VanDerWaalsContact C-N 3.29Å; E296-I298 PolarHBondContact O-N 3.03Å; E296-A299 PolarHBondContact O-N 3.33Å; E296-D300 WeakPolarHBondContact O-CB 3.39Å; E296-D300 PolarHBondContact O-N 3.22Å
297A96.9Very high93.2Very high2 Ų252.1 Ų52.12%0.01728%0.281CS..Hα-helixtrans-68-29.2-179.800000112.4I157 I173 M292 G293 I294 S301I157-A297 HydrophobicContact CD1-CB 3.32Å; I173-A297 HydrophobicContact CD1-CB 3.66Å; I173-A297 HydrophobicContact CG1-CB 4.09Å; M292-A297 HydrophobicContact CB-CB 4.28Å; G293-A297 WeakPolarHBondContact O-CB 3.11Å; G293-A297 PolarHBondContact O-N 2.8Å; I294-A297 PolarHBondContact O-N 3.03Å; A297-S301 WeakPolarHBondContact O-CB 3.48Å; A297-S301 PolarHBondContact O-N 3Å
298I97.6Very high94.2Very high0 Ų057.3 Ų57.30%030%0.304CS..Hα-helixtrans-66.4-47.8170.6-73.6166.2000110.2L146 V148 I157 I294 P295 E296 D300 S301 V302 Y314 I317 L333 L337L146-I298 HydrophobicContact CD2-CB 4.32Å; L146-I298 HydrophobicContact CD2-CG1 4.19Å; L146-I298 HydrophobicContact CD2-CG2 3.59Å; V148-I298 HydrophobicContact CG2-CD1 3.71Å; V148-I298 HydrophobicContact CG2-CG1 4Å; I157-I298 HydrophobicContact CD1-CG1 3.87Å; I157-I298 HydrophobicContact CG1-CG1 4.09Å; I157-I298 HydrophobicContact CG2-CG1 4.08Å; I294-I298 HydrophobicContact CG2-CD1 3.88Å; I294-I298 VanDerWaalsContact O-CG1 3.31Å; I294-I298 WeakPolarHBondContact O-CG1 3.22Å; I294-I298 PolarHBondContact O-N 3.07Å; P295-I298 PolarHBondContact O-N 2.97Å; E296-I298 VanDerWaalsContact C-N 3.29Å; E296-I298 PolarHBondContact O-N 3.03Å; I298-D300 PolarHBondContact O-N 2.82Å; I298-S301 WeakPolarHBondContact O-CB 3.33Å; I298-S301 PolarHBondContact O-N 2.95Å; I298-V302 WeakPolarHBondContact O-CG2 3.23Å; I298-V302 PolarHBondContact O-N 3.2Å; I298-Y314 HydrophobicContact CG2-CE1 4.35Å; I298-I317 HydrophobicContact CG2-CD1 4.34Å; I298-L333 HydrophobicContact CD1-CD1 4.07Å; I298-L333 HydrophobicContact CD1-CD2 4.31Å; I298-L337 HydrophobicContact CB-CD2 3.88Å; I298-L337 HydrophobicContact CD1-CD1 4.11Å; I298-L337 HydrophobicContact CD1-CD2 4.25Å; I298-L337 HydrophobicContact CG2-CD1 4.35Å; I298-L337 HydrophobicContact CG2-CD2 3.57Å
299A96.7Very high94.9Very high17 Ų1756.1 Ų56.114%0.1428%0.282CS..Hα-helixtrans-60.9-45178.800000111.4P295 E296 V302 Q303 L340P295-A299 PolarHBondContact O-N 3.5Å; P295-A299 VanDerWaalsContact O-N 3.12Å; E296-A299 PolarHBondContact O-N 3.33Å; A299-V302 PolarHBondContact O-N 3.15Å; A299-Q303 VanDerWaalsContact O-CB 3.24Å; A299-Q303 WeakPolarHBondContact O-CB 3.16Å; A299-Q303 PolarHBondContact O-N 2.96Å; A299-L340 HydrophobicContact CB-CB 4.48Å; A299-L340 HydrophobicContact CB-CD1 4.45Å
300D96.9Very high95.3Very high55 Ų5555.5 Ų55.529%0.29428%0.278SS..Hα-helixtrans-66.1-39.9177.4-177.784.6000112.8R171 M292 E296 I298 Q303 S304R171-D300 IonicContact CZ-OD2 3.86Å; R171-D300 IonicContact NE-OD2 2.73Å; R171-D300 PolarHBondContact NE-OD2 3.33Å; R171-D300 PolarHBondContact NH2-O 2.99Å; R171-D300 IonicContact NH2-OD2 3.88Å; R171-D300 PolarHBondContact NH2-OD2 3.33Å; M292-D300 HydrophobicContact CE-CB 3.79Å; E296-D300 WeakPolarHBondContact O-CB 3.39Å; E296-D300 PolarHBondContact O-N 3.22Å; I298-D300 PolarHBondContact O-N 2.82Å; D300-Q303 PolarHBondContact O-N 3.05Å; D300-S304 PolarHBondContact O-N 3.45Å; D300-S304 VanDerWaalsContact O-N 3.07Å; D300-S304 PolarHBondContact O-OG 3.34Å
301S97.1Very high95.6Very high0 Ų048.3 Ų48.30%025%0.248CC..Hα-helixtrans-55.8-52.2172.8170.90000111.1G169 A297 I298 S304G169-S301 VanDerWaalsContact O-CB 3.31Å; G169-S301 WeakPolarHBondContact O-CB 3.33Å; G169-S301 PolarHBondContact O-OG 3.04Å; A297-S301 WeakPolarHBondContact O-CB 3.48Å; A297-S301 PolarHBondContact O-N 3Å; I298-S301 WeakPolarHBondContact O-CB 3.33Å; I298-S301 PolarHBondContact O-N 2.95Å; S301-S304 PolarHBondContact O-N 2.85Å; S301-S304 PolarHBondContact O-OG 3.15Å
302V96.6Very high95.7Very high0 Ų049.7 Ų49.70%025%0.254CS..Hα-helixtrans-68.8-38.5-179.3178.30000111.3L146 I298 A299 S304 L305 H310 F313 Y314L146-V302 HydrophobicContact CD2-CG2 4.12Å; I298-V302 WeakPolarHBondContact O-CG2 3.23Å; I298-V302 PolarHBondContact O-N 3.2Å; A299-V302 PolarHBondContact O-N 3.15Å; V302-S304 PolarHBondContact O-N 3.43Å; V302-L305 WeakPolarHBondContact O-CB 3.4Å; V302-L305 PolarHBondContact O-N 2.83Å; V302-H310 HydrophobicContact CG1-CB 3.92Å; V302-H310 PolarHBondContact O-CD2 3.29Å; V302-H310 VanDerWaalsContact O-CD2 3.32Å; V302-H310 PolarHBondContact O-NE2 3.16Å; V302-F313 HydrophobicContact CG1-CB 4.32Å; V302-F313 HydrophobicContact CG2-CB 3.89Å; V302-Y314 HydrophobicContact CB-CE1 4.25Å; V302-Y314 HydrophobicContact CB-CE2 4.11Å; V302-Y314 HydrophobicContact CG1-CD2 4.07Å; V302-Y314 HydrophobicContact CG1-CE1 4.42Å; V302-Y314 HydrophobicContact CG1-CE2 3.48Å; V302-Y314 VanDerWaalsContact CG1-CE2 3.48Å; V302-Y314 HydrophobicContact CG2-CE1 4.07Å
303Q95.8Very high95.9Very high146 Ų14646.2 Ų46.268%0.68224%0.237SC*.Hα-helixtrans-62.5-28.6178.6-173.5171.916.100112.9A299 D300 L305A299-Q303 VanDerWaalsContact O-CB 3.24Å; A299-Q303 WeakPolarHBondContact O-CB 3.16Å; A299-Q303 PolarHBondContact O-N 2.96Å; D300-Q303 PolarHBondContact O-N 3.05Å; Q303-L305 PolarHBondContact O-N 3.27Å
304S96.4Very high95.9Very high44 Ų4446.8 Ų46.831%0.30824%0.239SC..THydrogen-bonded Turntrans-74.2-5.1174.265.30000114.7E168 G169 R171 D300 S301 V302E168-S304 PolarHBondContact O-OG 3.29Å; G169-S304 WeakPolarHBondContact CA-OG 3.42Å; R171-S304 VanDerWaalsContact NH2-CB 3.33Å; R171-S304 PolarHBondContact NH2-OG 2.89Å; R171-S304 VanDerWaalsContact NH2-OG 3.08Å; D300-S304 PolarHBondContact O-N 3.45Å; D300-S304 VanDerWaalsContact O-N 3.07Å; D300-S304 PolarHBondContact O-OG 3.34Å; S301-S304 PolarHBondContact O-N 2.85Å; S301-S304 PolarHBondContact O-OG 3.15Å; V302-S304 PolarHBondContact O-N 3.43Å
305L95.6Very high95.9Very high11 Ų1150.2 Ų50.26%0.05826%0.255CS..SBendtrans-102.6163.1178.2-55.6174.8000111.2P159 L166 V302 Q303 E307 H310 F313P159-L305 HydrophobicContact CB-CD1 3.69Å; P159-L305 HydrophobicContact CG-CD1 3.85Å; L166-L305 HydrophobicContact CB-CD2 4.03Å; L166-L305 HydrophobicContact CD1-CD1 4.09Å; L166-L305 HydrophobicContact CD1-CD2 3.92Å; V302-L305 WeakPolarHBondContact O-CB 3.4Å; V302-L305 PolarHBondContact O-N 2.83Å; Q303-L305 PolarHBondContact O-N 3.27Å; L305-E307 PolarHBondContact O-N 2.97Å; L305-H310 PolarHBondContact O-NE2 2.79Å; L305-F313 HydrophobicContact CD1-CD2 3.72Å; L305-F313 HydrophobicContact CD1-CE2 3.33Å; L305-F313 HydrophobicContact CD1-CG 4.47Å; L305-F313 HydrophobicContact CD1-CZ 3.81Å
306P95.4Very high95.8Very high76 Ų7650.1 Ų50.149%0.49425%0.254SS..  trans-56.9137.6176.6-25.435000113.1E308 M309 H310P306-E308 PolarHBondContact O-N 3.38Å; P306-E308 VanDerWaalsContact O-N 3.14Å; P306-M309 HydrophobicContact CB-CG 4.46Å; P306-M309 HydrophobicContact CG-SD 4.41Å; P306-M309 WeakPolarHBondContact O-CB 3.48Å; P306-M309 PolarHBondContact O-N 3.28Å; P306-H310 PolarHBondContact O-CD2 3.15Å
307E93.7Very high95.9Very high165 Ų16546 Ų4677%0.77124%0.235SC*.G310 helixtrans-55.4-34.5-176.3-67.7-174.2174.200113.4L305 M309 H310L305-E307 PolarHBondContact O-N 2.97Å; E307-M309 PolarHBondContact O-N 3.13Å; E307-M309 VanDerWaalsContact O-N 3.14Å; E307-H310 WeakPolarHBondContact O-CB 3.41Å; E307-H310 PolarHBondContact O-N 3.22Å; E307-H310 VanDerWaalsContact O-N 3.13Å
308E93.9Very high95.9Very high172 Ų17246 Ų4680%0.80424%0.235SC*.G310 helixtrans-59.1-26.3177.2-61.2179.6-176.500112.9P306P306-E308 PolarHBondContact O-N 3.38Å; P306-E308 VanDerWaalsContact O-N 3.14Å
309M94.4Very high95.8Very high40 Ų4046 Ų4620%0.19724%0.235CC..G310 helixtrans-91.5-16.3-178.7-56.9-17471.700113.4C161 L166 P306 E307 P311 H312 F313C161-M309 HydrophobicContact CB-CE 3.68Å; C161-M309 VanDerWaalsContact SG-CE 3.51Å; L166-M309 HydrophobicContact CD1-CE 3.98Å; L166-M309 HydrophobicContact CD1-SD 4.45Å; P306-M309 HydrophobicContact CB-CG 4.46Å; P306-M309 HydrophobicContact CG-SD 4.41Å; P306-M309 WeakPolarHBondContact O-CB 3.48Å; P306-M309 PolarHBondContact O-N 3.28Å; E307-M309 PolarHBondContact O-N 3.13Å; E307-M309 VanDerWaalsContact O-N 3.14Å; M309-P311 VanDerWaalsContact C-CD 3.43Å; M309-H312 WeakPolarHBondContact O-CB 3.46Å; M309-H312 PolarHBondContact O-N 3.18Å; M309-H312 VanDerWaalsContact O-N 3.09Å; M309-F313 HydrophobicContact CB-CD2 4Å; M309-F313 HydrophobicContact CB-CE2 3.64Å; M309-F313 HydrophobicContact CE-CE2 3.76Å; M309-F313 HydrophobicContact CE-CZ 3.82Å; M309-F313 VanDerWaalsContact O-CD2 3.28Å; M309-F313 WeakPolarHBondContact O-CD2 3.18Å; M309-F313 PolarHBondContact O-N 3.03Å; M309-F313 HydrophobicContact SD-CE2 4.37Å
310H95.4Very high95.7Very high29 Ų2945.2 Ų45.213%0.13423%0.228CC..Hα-helixtrans-54.4-45.9-175.5-64.7-176.6000113.5V302 L305 P306 E307 H312 F313 Y314 L345V302-H310 HydrophobicContact CG1-CB 3.92Å; V302-H310 PolarHBondContact O-CD2 3.29Å; V302-H310 VanDerWaalsContact O-CD2 3.32Å; V302-H310 PolarHBondContact O-NE2 3.16Å; L305-H310 PolarHBondContact O-NE2 2.79Å; P306-H310 PolarHBondContact O-CD2 3.15Å; E307-H310 WeakPolarHBondContact O-CB 3.41Å; E307-H310 PolarHBondContact O-N 3.22Å; E307-H310 VanDerWaalsContact O-N 3.13Å; H310-H312 PolarHBondContact O-N 3.34Å; H310-F313 PolarHBondContact O-N 3.37Å; H310-Y314 HydrophobicContact CB-CD2 4.32Å; H310-Y314 HydrophobicContact CB-CE2 4.24Å; H310-Y314 VanDerWaalsContact O-CD2 3.23Å; H310-Y314 WeakPolarHBondContact O-CD2 3.5Å; H310-Y314 PolarHBondContact O-N 3.41Å; H310-Y314 VanDerWaalsContact O-N 3.09Å; H310-L345 HydrophobicContact CB-CD1 4.34Å
311P95.3Very high95.5Very high40 Ų4042.8 Ų42.826%0.2622%0.216SC..Hα-helixtrans-58.9-38.3179.4-17.727.9000112.3M309 Q315 L345M309-P311 VanDerWaalsContact C-CD 3.43Å; P311-Q315 WeakPolarHBondContact O-CB 3.48Å; P311-Q315 PolarHBondContact O-N 2.92Å; P311-Q315 VanDerWaalsContact O-N 3.08Å; P311-L345 HydrophobicContact CB-CD2 4.11Å; P311-L345 HydrophobicContact CG-CD2 3.74Å
312H94.6Very high95.2Very high83 Ų8344.3 Ų44.338%0.38423%0.232SC..Hα-helixtrans-69.5-34-178.1-62.4-67.5000112.7C144 M309 H310 N316C144-H312 HydrophobicContact CB-CB 3.86Å; M309-H312 WeakPolarHBondContact O-CB 3.46Å; M309-H312 PolarHBondContact O-N 3.18Å; M309-H312 VanDerWaalsContact O-N 3.09Å; H310-H312 PolarHBondContact O-N 3.34Å; H312-N316 WeakPolarHBondContact O-CB 3.45Å; H312-N316 PolarHBondContact O-N 3.04Å; H312-N316 PolarHBondContact O-ND2 3.45Å
313F96Very high95Very high0 Ų044.8 Ų44.80%024%0.235CC..Hα-helixtrans-75.7-45.7176.9-72.1-62.2000112.4C144 L146 P159 Y160 L166 V302 L305 M309 H310 Q315 N316 I317C144-F313 HydrophobicContact CB-CD1 4.13Å; C144-F313 HydrophobicContact CB-CE1 3.8Å; C144-F313 HydrophobicContact CB-CZ 4.13Å; L146-F313 HydrophobicContact CB-CD1 4.24Å; P159-F313 HydrophobicContact CB-CD1 4.05Å; P159-F313 HydrophobicContact CB-CE1 3.55Å; P159-F313 HydrophobicContact CB-CZ 3.88Å; Y160-F313 WeakPolarHBondContact O-CE1 3.47Å; L166-F313 HydrophobicContact CD1-CE2 4.17Å; L166-F313 HydrophobicContact CD1-CZ 3.61Å; V302-F313 HydrophobicContact CG1-CB 4.32Å; V302-F313 HydrophobicContact CG2-CB 3.89Å; L305-F313 HydrophobicContact CD1-CD2 3.72Å; L305-F313 HydrophobicContact CD1-CE2 3.33Å; L305-F313 HydrophobicContact CD1-CG 4.47Å; L305-F313 HydrophobicContact CD1-CZ 3.81Å; M309-F313 HydrophobicContact CB-CD2 4Å; M309-F313 HydrophobicContact CB-CE2 3.64Å; M309-F313 HydrophobicContact CE-CE2 3.76Å; M309-F313 HydrophobicContact CE-CZ 3.82Å; M309-F313 VanDerWaalsContact O-CD2 3.28Å; M309-F313 WeakPolarHBondContact O-CD2 3.18Å; M309-F313 PolarHBondContact O-N 3.03Å; M309-F313 HydrophobicContact SD-CE2 4.37Å; H310-F313 PolarHBondContact O-N 3.37Å; F313-Q315 VanDerWaalsContact C-N 3.28Å; F313-Q315 PolarHBondContact O-N 2.76Å; F313-N316 CarbonylContact O-C 3.55Å; F313-N316 PolarHBondContact O-N 3.32Å; F313-N316 VanDerWaalsContact O-N 3.13Å; F313-I317 WeakPolarHBondContact O-CG1 3.38Å
314Y96.4Very high95Very high12 Ų1238 Ų385%0.04720%0.203CC..Hα-helixtrans-67-29.6179.5-71.3-59.8000113I298 V302 H310 N316 I317 V341 L345 P346 V347 N348I298-Y314 HydrophobicContact CG2-CE1 4.35Å; V302-Y314 HydrophobicContact CB-CE1 4.25Å; V302-Y314 HydrophobicContact CB-CE2 4.11Å; V302-Y314 HydrophobicContact CG1-CD2 4.07Å; V302-Y314 HydrophobicContact CG1-CE1 4.42Å; V302-Y314 HydrophobicContact CG1-CE2 3.48Å; V302-Y314 VanDerWaalsContact CG1-CE2 3.48Å; V302-Y314 HydrophobicContact CG2-CE1 4.07Å; H310-Y314 HydrophobicContact CB-CD2 4.32Å; H310-Y314 HydrophobicContact CB-CE2 4.24Å; H310-Y314 VanDerWaalsContact O-CD2 3.23Å; H310-Y314 WeakPolarHBondContact O-CD2 3.5Å; H310-Y314 PolarHBondContact O-N 3.41Å; H310-Y314 VanDerWaalsContact O-N 3.09Å; Y314-N316 VanDerWaalsContact C-N 3.31Å; Y314-I317 HydrophobicContact CD1-CD1 4.43Å; Y314-V341 HydrophobicContact CD1-CG1 4.3Å; Y314-V341 HydrophobicContact CD1-CG2 3.62Å; Y314-V341 HydrophobicContact CD2-CG1 3.95Å; Y314-V341 HydrophobicContact CE1-CB 4.5Å; Y314-V341 HydrophobicContact CE1-CG1 4.4Å; Y314-V341 HydrophobicContact CE1-CG2 3.27Å; Y314-V341 HydrophobicContact CE2-CG1 4.03Å; Y314-V341 HydrophobicContact CE2-CG2 4.21Å; Y314-V341 HydrophobicContact CG-CG1 4.09Å; Y314-V341 HydrophobicContact CG-CG2 4.24Å; Y314-L345 HydrophobicContact CD2-CD1 3.96Å; Y314-L345 HydrophobicContact CE2-CD1 4.1Å; Y314-P346 CarbonylContact C-O 3.59Å; Y314-P346 WeakPolarHBondContact CB-O 3.2Å; Y314-V347 WeakPolarHBondContact O-CA 3.47Å; Y314-N348 PolarHBondContact O-N 2.87Å
315Q95.3Very high94.8Very high73 Ų7341.3 Ų41.334%0.34122%0.217SC..Hα-helixtrans-71.6-24.2173.7-174.3172.4-15.500113.6P311 F313 P346 N348P311-Q315 WeakPolarHBondContact O-CB 3.48Å; P311-Q315 PolarHBondContact O-N 2.92Å; P311-Q315 VanDerWaalsContact O-N 3.08Å; F313-Q315 VanDerWaalsContact C-N 3.28Å; F313-Q315 PolarHBondContact O-N 2.76Å; Q315-P346 HydrophobicContact CB-CB 4.35Å; Q315-P346 HydrophobicContact CB-CG 3.98Å; Q315-P346 HydrophobicContact CG-CG 4.47Å; Q315-N348 VanDerWaalsContact O-CB 3.31Å; Q315-N348 WeakPolarHBondContact O-CB 3.49Å; Q315-N348 PolarHBondContact O-ND2 2.84Å
316N95.9Very high94.8Very high2 Ų241.4 Ų41.41%0.01122%0.217CC..  trans-126.856-169.3-66.7-59000111.8Y135 E142 C144 C145 L146 H312 F313 Y314Y135-N316 HydrophobicContact CE1-CB 4.08Å; Y135-N316 PolarHBondContact OH-OD1 3.17Å; E142-N316 PolarHBondContact OE2-ND2 3.31Å; C144-N316 VanDerWaalsContact O-CB 3.25Å; C144-N316 WeakPolarHBondContact O-CB 3.48Å; C144-N316 PolarHBondContact O-ND2 3.17Å; C145-N316 CarbonylContact C-O 3.6Å; C145-N316 WeakPolarHBondContact CA-O 3.38Å; C145-N316 HydrophobicContact CB-CB 4.16Å; L146-N316 PolarHBondContact N-O 3.04Å; H312-N316 WeakPolarHBondContact O-CB 3.45Å; H312-N316 PolarHBondContact O-N 3.04Å; H312-N316 PolarHBondContact O-ND2 3.45Å; F313-N316 CarbonylContact O-C 3.55Å; F313-N316 PolarHBondContact O-N 3.32Å; F313-N316 VanDerWaalsContact O-N 3.13Å; Y314-N316 VanDerWaalsContact C-N 3.31Å
317I97.3Very high94.8Very high0 Ų041.9 Ų41.90%022%0.22CC..EExtended strand (participates in β ladder)trans-86.3120.4174.8-56.1176000108.6L146 V148 I298 F313 Y314 L319 L337 N348 V349 F350L146-I317 HydrophobicContact CB-CG1 4.46Å; L146-I317 HydrophobicContact CD2-CG1 4.33Å; L146-I317 CarbonylContact O-C 3.56Å; L146-I317 WeakPolarHBondContact O-CA 3.48Å; V148-I317 HydrophobicContact CG2-CG2 3.84Å; I298-I317 HydrophobicContact CG2-CD1 4.34Å; F313-I317 WeakPolarHBondContact O-CG1 3.38Å; Y314-I317 HydrophobicContact CD1-CD1 4.43Å; I317-L319 HydrophobicContact CG2-CD2 4.05Å; I317-L337 HydrophobicContact CD1-CD1 3.59Å; I317-N348 PolarHBondContact N-O 3.22Å; I317-V349 HydrophobicContact CB-CG2 4.45Å; I317-V349 HydrophobicContact CD1-CG2 4.34Å; I317-V349 HydrophobicContact CG2-CG1 4.48Å; I317-F350 WeakPolarHBondContact O-CB 3.42Å; I317-F350 PolarHBondContact O-N 2.76Å
318V96.9Very high94.9Very high0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans-112120.7-177.8179.90000109.2Y135 C145 L146 V147 V148 F350 Y358Y135-V318 HydrophobicContact CD1-CG2 3.95Å; Y135-V318 HydrophobicContact CD2-CG1 4.47Å; Y135-V318 HydrophobicContact CD2-CG2 3.35Å; Y135-V318 HydrophobicContact CE1-CG2 4.17Å; Y135-V318 HydrophobicContact CE2-CG2 3.6Å; Y135-V318 HydrophobicContact CG-CG2 3.54Å; C145-V318 HydrophobicContact CB-CG2 4.27Å; L146-V318 PolarHBondContact O-N 3.41Å; V147-V318 WeakPolarHBondContact CA-O 3.24Å; V147-V318 HydrophobicContact CG2-CB 4.46Å; V148-V318 PolarHBondContact N-O 3.28Å; V318-F350 HydrophobicContact CG1-CD1 4.25Å; V318-F350 HydrophobicContact CG2-CD1 4.43Å; V318-Y358 HydrophobicContact CG1-CE1 3.78Å
319L96.5Very high95Very high0 Ų026.9 Ų26.90%016%0.155CC..EExtended strand (participates in β ladder)trans-93.7126.7179.4-51.5-174.3000110.7V148 I317 L324 F329 L333 V349 F350 L351 P352V148-L319 HydrophobicContact CB-CD2 3.78Å; V148-L319 HydrophobicContact CG1-CD2 4.27Å; V148-L319 HydrophobicContact CG2-CD2 4.16Å; I317-L319 HydrophobicContact CG2-CD2 4.05Å; L319-L324 HydrophobicContact CB-CD1 3.38Å; L319-L324 HydrophobicContact CB-CD2 4.09Å; L319-L324 HydrophobicContact CB-CG 4.34Å; L319-L324 HydrophobicContact CD1-CD2 4.24Å; L319-F329 HydrophobicContact CD1-CD1 4.22Å; L319-F329 HydrophobicContact CD1-CE1 4.32Å; L319-L333 HydrophobicContact CD1-CD2 4.21Å; L319-L333 HydrophobicContact CD2-CD2 3.65Å; L319-V349 HydrophobicContact CD1-CG1 3.45Å; L319-V349 VanDerWaalsContact CD1-CG1 3.45Å; L319-V349 HydrophobicContact CD2-CG1 3.89Å; L319-V349 HydrophobicContact CG-CG1 3.61Å; L319-F350 PolarHBondContact N-O 2.74Å; L319-L351 HydrophobicContact CB-CD1 3.94Å; L319-L351 HydrophobicContact CD1-CB 4.4Å; L319-L351 HydrophobicContact CD1-CD1 4.27Å; L319-P352 WeakPolarHBondContact O-CD 3.25Å
320T94.8Very high95.1Very high1 Ų129.1 Ų29.11%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-132.6159.5171.2-173.70000111.9V147 V148 D149 S150 L324 P355 S359V147-T320 HydrophobicContact CG1-CG2 3.71Å; V148-T320 PolarHBondContact O-N 3.09Å; D149-T320 CarbonylContact C-O 3.33Å; D149-T320 VanDerWaalsContact CA-O 3.27Å; D149-T320 WeakPolarHBondContact CA-O 3.34Å; D149-T320 HydrophobicContact CB-CG2 3.54Å; S150-T320 PolarHBondContact N-O 3.1Å; T320-L324 VanDerWaalsContact CA-CD1 3.45Å; T320-L324 WeakPolarHBondContact O-CD1 3.41Å; T320-P355 PolarHBondContact OG1-O 3.45Å; T320-S359 PolarHBondContact OG1-OG 3.45Å
321G91.8Very high95.1Very high4 Ų432.6 Ų32.64%0.04118%0.177CC..SBendtrans107.2172.4177.600000115.5S150 P355S150-G321 CarbonylContact O-C 3.56Å; S150-G321 WeakPolarHBondContact O-CA 3.34Å; G321-P355 PolarHBondContact N-O 3.47Å
322G90.6Very high95.2Very high33 Ų3331.3 Ų31.334%0.3417%0.168SC..G310 helixtrans-79.5-29.2-168.900000115.3S150 L324 L325S150-G322 PolarHBondContact O-N 3.3Å; S150-G322 VanDerWaalsContact O-N 3.08Å; G322-L324 PolarHBondContact O-N 2.88Å; G322-L325 WeakPolarHBondContact O-CB 3.35Å; G322-L325 WeakPolarHBondContact O-CG 3.41Å; G322-L325 PolarHBondContact O-N 3.49Å
323N93.9Very high95.3Very high9 Ų927.4 Ų27.45%0.04815%0.149CC..G310 helixtrans-71.9-13.4180-59.3-35000112.3S150 G151 G177 L281 L325 F326S150-N323 PolarHBondContact O-N 3.04Å; S150-N323 VanDerWaalsContact O-N 3.07Å; S150-N323 WeakPolarHBondContact OG-CB 3.46Å; S150-N323 PolarHBondContact OG-ND2 3.04Å; G151-N323 PolarHBondContact O-ND2 3.43Å; G177-N323 WeakPolarHBondContact CA-OD1 3.26Å; G177-N323 PolarHBondContact N-ND2 3.31Å; L281-N323 HydrophobicContact CD1-CB 4.04Å; N323-L325 PolarHBondContact O-N 2.73Å; N323-F326 HydrophobicContact CB-CD2 4.44Å; N323-F326 HydrophobicContact CB-CE2 4.25Å; N323-F326 WeakPolarHBondContact O-CD2 3.5Å; N323-F326 PolarHBondContact O-N 3.17Å
324L94Very high95.3Very high5 Ų530.4 Ų30.43%0.02616%0.164CC..G310 helixtrans-73.4-9.5177.3-56.1178.5000113.5L319 T320 G322 F326 F329 L351 P355L319-L324 HydrophobicContact CB-CD1 3.38Å; L319-L324 HydrophobicContact CB-CD2 4.09Å; L319-L324 HydrophobicContact CB-CG 4.34Å; L319-L324 HydrophobicContact CD1-CD2 4.24Å; T320-L324 VanDerWaalsContact CA-CD1 3.45Å; T320-L324 WeakPolarHBondContact O-CD1 3.41Å; G322-L324 PolarHBondContact O-N 2.88Å; L324-F326 PolarHBondContact O-N 3.03Å; L324-F329 HydrophobicContact CD2-CD1 3.51Å; L324-F329 HydrophobicContact CD2-CE1 3.22Å; L324-F329 HydrophobicContact CD2-CE2 4.34Å; L324-F329 HydrophobicContact CD2-CG 4.21Å; L324-F329 HydrophobicContact CD2-CZ 3.7Å; L324-L351 HydrophobicContact CB-CD1 4Å; L324-L351 HydrophobicContact CD1-CD1 4Å; L324-P355 HydrophobicContact CB-CB 4.36Å; L324-P355 HydrophobicContact CB-CG 4.36Å; L324-P355 HydrophobicContact CD1-CB 3.97Å
325L94.1Very high95.2Very high113 Ų11332.3 Ų32.359%0.59218%0.182SC*.G310 helixtrans-70.9-10.7173.9-64.6177.7000112.7G322 N323 P327 P355 V356G322-L325 WeakPolarHBondContact O-CB 3.35Å; G322-L325 WeakPolarHBondContact O-CG 3.41Å; G322-L325 PolarHBondContact O-N 3.49Å; N323-L325 PolarHBondContact O-N 2.73Å; L325-P327 WeakPolarHBondContact O-CD 3.07Å; L325-P355 HydrophobicContact CD2-CG 4.15Å; L325-V356 HydrophobicContact CD1-CG2 3.77Å; L325-V356 HydrophobicContact CD2-CG2 4.23Å; L325-V356 HydrophobicContact CG-CG2 4.11Å
326F95.3Very high95.3Very high13 Ų1331 Ų316%0.05718%0.175CC..SBendtrans-64.3126.4173.2-68.7-55.7000110.7L180 K206 C210 V212 P278 L281 N323 L324 G328 F329L180-F326 HydrophobicContact CD1-CE2 3.91Å; L180-F326 HydrophobicContact CD1-CZ 4.27Å; K206-F326 HydrophobicContact CD-CZ 4.04Å; K206-F326 HydrophobicContact CG-CE1 4.1Å; K206-F326 HydrophobicContact CG-CZ 3.97Å; C210-F326 HydrophobicContact CB-CD1 4.17Å; C210-F326 HydrophobicContact CB-CE1 3.73Å; V212-F326 HydrophobicContact CG2-CB 3.84Å; P278-F326 HydrophobicContact CB-CD2 4.37Å; P278-F326 HydrophobicContact CG-CD1 4.35Å; P278-F326 HydrophobicContact CG-CD2 4.49Å; P278-F326 HydrophobicContact CG-CE1 4.28Å; P278-F326 HydrophobicContact CG-CE2 4.43Å; P278-F326 HydrophobicContact CG-CG 4.48Å; P278-F326 HydrophobicContact CG-CZ 4.33Å; L281-F326 HydrophobicContact CD1-CE2 4.46Å; N323-F326 HydrophobicContact CB-CD2 4.44Å; N323-F326 HydrophobicContact CB-CE2 4.25Å; N323-F326 WeakPolarHBondContact O-CD2 3.5Å; N323-F326 PolarHBondContact O-N 3.17Å; L324-F326 PolarHBondContact O-N 3.03Å; F326-G328 PolarHBondContact O-N 2.95Å; F326-F329 VanDerWaalsContact O-CB 3.31Å; F326-F329 WeakPolarHBondContact O-CB 3.08Å; F326-F329 PolarHBondContact O-N 3.18Å
327P95.3Very high95.3Very high86 Ų8630.9 Ų30.956%0.55818%0.175SC*.THydrogen-bonded Turntrans-59138.7175.6-24.334.3000111.5V212 L325 F329V212-P327 PolarHBondContact N-O 3.37Å; L325-P327 WeakPolarHBondContact O-CD 3.07Å; P327-F329 VanDerWaalsContact C-N 3.31Å; P327-F329 PolarHBondContact O-N 3.13Å
328G94.6Very high95.2Very high20 Ų2035.1 Ų35.121%0.20619%0.191CC..THydrogen-bonded Turntrans82.6-0.4178.900000115.3Q214 F326 E331 R332Q214-G328 PolarHBondContact NE2-O 3.37Å; F326-G328 PolarHBondContact O-N 2.95Å; G328-E331 VanDerWaalsContact C-OE2 3.32Å; G328-E331 VanDerWaalsContact CA-OE2 3.25Å; G328-E331 WeakPolarHBondContact CA-OE2 3.24Å; G328-R332 WeakPolarHBondContact O-CB 3.38Å; G328-R332 PolarHBondContact O-N 3.28Å
329F96.4Very high95Very high2 Ų240 Ų401%0.00923%0.225CC..Hα-helixtrans-61-48-175.9-172.7-77.4000112.3V212 L281 F282 I294 L319 L324 F326 P327 L333V212-F329 HydrophobicContact CG2-CB 4.08Å; V212-F329 HydrophobicContact CG2-CD2 3.82Å; V212-F329 HydrophobicContact CG2-CG 4.39Å; L281-F329 HydrophobicContact CD1-CE2 3.95Å; F282-F329 HydrophobicContact CE2-CD2 4.12Å; F282-F329 AromaticContact CE2-CE2 3.93Å; F282-F329 HydrophobicContact CE2-CE2 3.93Å; F282-F329 HydrophobicContact CZ-CD2 4.04Å; F282-F329 AromaticContact CZ-CE2 3.86Å; F282-F329 HydrophobicContact CZ-CE2 3.86Å; F282-F329 HydrophobicContact CZ-CG 4.44Å; F282-F329 HydrophobicContact CZ-CZ 4.15Å; I294-F329 HydrophobicContact CD1-CE2 4.39Å; I294-F329 HydrophobicContact CD1-CZ 3.86Å; L319-F329 HydrophobicContact CD1-CD1 4.22Å; L319-F329 HydrophobicContact CD1-CE1 4.32Å; L324-F329 HydrophobicContact CD2-CD1 3.51Å; L324-F329 HydrophobicContact CD2-CE1 3.22Å; L324-F329 HydrophobicContact CD2-CE2 4.34Å; L324-F329 HydrophobicContact CD2-CG 4.21Å; L324-F329 HydrophobicContact CD2-CZ 3.7Å; F326-F329 VanDerWaalsContact O-CB 3.31Å; F326-F329 WeakPolarHBondContact O-CB 3.08Å; F326-F329 PolarHBondContact O-N 3.18Å; P327-F329 VanDerWaalsContact C-N 3.31Å; P327-F329 PolarHBondContact O-N 3.13Å; F329-L333 HydrophobicContact CE1-CB 4.43Å; F329-L333 HydrophobicContact CE1-CD2 3.96Å; F329-L333 WeakPolarHBondContact O-CB 3.28Å; F329-L333 PolarHBondContact O-N 3.46Å
330R96.3Very high94.9Very high87 Ų8744.1 Ų44.133%0.32825%0.246SC..Hα-helixtrans-61-51.1-178.6176-169.4167.1176.7-1.3110.9R332 L333 E334 V349 L351R330-R332 VanDerWaalsContact C-N 3.32Å; R330-R332 PolarHBondContact O-N 2.8Å; R330-L333 PolarHBondContact O-N 3.41Å; R330-E334 IonicContact NE-OE2 3.81Å; R330-E334 WeakPolarHBondContact O-CB 3.23Å; R330-E334 PolarHBondContact O-N 3.24Å; R330-V349 HydrophobicContact CG-CB 4.41Å; R330-V349 HydrophobicContact CG-CG1 4.11Å; R330-V349 PolarHBondContact NE-O 3.38Å; R330-V349 PolarHBondContact NH2-O 3.44Å; R330-L351 HydrophobicContact CB-CB 4.47Å; R330-L351 HydrophobicContact CB-CD2 4.18Å; R330-L351 HydrophobicContact CG-CB 4.45Å
331E96Very high94.9Very high101 Ų10144.4 Ų44.447%0.47225%0.248SC..Hα-helixtrans-63-41.5-175.8-62.874-162.100110.9G328 A335G328-E331 VanDerWaalsContact C-OE2 3.32Å; G328-E331 VanDerWaalsContact CA-OE2 3.25Å; G328-E331 WeakPolarHBondContact CA-OE2 3.24Å; E331-A335 WeakPolarHBondContact O-CB 3.4Å; E331-A335 PolarHBondContact O-N 3.27Å
332R96.6Very high95Very high14 Ų1447.3 Ų47.35%0.05327%0.267CS..Hα-helixtrans-64.5-47.3176.2179.561.9-177.3-83.6-4.2111V212 S213 E279 F282 G328 R330 E334 A335 E336V212-R332 HydrophobicContact CG1-CB 3.54Å; V212-R332 HydrophobicContact CG1-CG 3.66Å; S213-R332 WeakPolarHBondContact O-CD 3.39Å; S213-R332 PolarHBondContact O-NH1 3.26Å; E279-R332 IonicContact OE1-CZ 3.86Å; E279-R332 IonicContact OE1-NH1 3.03Å; E279-R332 IonicContact OE1-NH2 3.13Å; E279-R332 PolarHBondContact OE1-NH2 3.08Å; E279-R332 IonicContact OE2-CZ 2.73Å; E279-R332 IonicContact OE2-NH1 2.7Å; E279-R332 PolarHBondContact OE2-NH1 3.36Å; E279-R332 VanDerWaalsContact OE2-NH1 3.08Å; E279-R332 IonicContact OE2-NH2 3.84Å; F282-R332 HydrophobicContact CD1-CG 4.1Å; F282-R332 HydrophobicContact CE1-CB 4.29Å; F282-R332 HydrophobicContact CE1-CG 3.7Å; F282-R332 HydrophobicContact CE2-CG 4.46Å; F282-R332 HydrophobicContact CZ-CB 4.23Å; F282-R332 HydrophobicContact CZ-CG 3.91Å; G328-R332 WeakPolarHBondContact O-CB 3.38Å; G328-R332 PolarHBondContact O-N 3.28Å; R330-R332 VanDerWaalsContact C-N 3.32Å; R330-R332 PolarHBondContact O-N 2.8Å; R332-E334 VanDerWaalsContact C-N 3.35Å; R332-E334 PolarHBondContact O-N 3.19Å; R332-A335 PolarHBondContact O-N 3.1Å; R332-E336 HydrophobicContact CG-CG 4.41Å; R332-E336 IonicContact CZ-OE1 3.85Å; R332-E336 VanDerWaalsContact CZ-OE1 3.23Å; R332-E336 IonicContact NE-OE1 3.18Å; R332-E336 PolarHBondContact NE-OE1 2.78Å; R332-E336 IonicContact NH2-OE1 3.71Å; R332-E336 PolarHBondContact NH2-OE1 3.21Å; R332-E336 VanDerWaalsContact O-CG 3.31Å; R332-E336 WeakPolarHBondContact O-CG 3.31Å; R332-E336 PolarHBondContact O-N 3.12Å
333L96.9Very high95.2Very high0 Ų050.4 Ų50.40%029%0.289CS..Hα-helixtrans-61.6-43.3179.6179.860.2000111.9F282 I294 P295 I298 L319 F329 R330 A335 E336 L337 V349F282-L333 HydrophobicContact CE1-CB 4.16Å; F282-L333 HydrophobicContact CE1-CD1 4.4Å; I294-L333 HydrophobicContact CG2-CD1 4.01Å; I294-L333 HydrophobicContact CG2-CD2 4.47Å; P295-L333 HydrophobicContact CB-CD1 4.19Å; P295-L333 HydrophobicContact CG-CD1 3.81Å; I298-L333 HydrophobicContact CD1-CD1 4.07Å; I298-L333 HydrophobicContact CD1-CD2 4.31Å; L319-L333 HydrophobicContact CD1-CD2 4.21Å; L319-L333 HydrophobicContact CD2-CD2 3.65Å; F329-L333 HydrophobicContact CE1-CB 4.43Å; F329-L333 HydrophobicContact CE1-CD2 3.96Å; F329-L333 WeakPolarHBondContact O-CB 3.28Å; F329-L333 PolarHBondContact O-N 3.46Å; R330-L333 PolarHBondContact O-N 3.41Å; L333-A335 PolarHBondContact O-N 2.91Å; L333-E336 PolarHBondContact O-N 3.47Å; L333-L337 HydrophobicContact CD1-CD1 4.01Å; L333-L337 HydrophobicContact CD1-CG 4.04Å; L333-L337 HydrophobicContact CG-CD1 3.92Å; L333-L337 HydrophobicContact CG-CG 4.38Å; L333-L337 WeakPolarHBondContact O-CB 3.48Å; L333-L337 VanDerWaalsContact O-CG 3.26Å; L333-L337 WeakPolarHBondContact O-CG 3.36Å; L333-L337 PolarHBondContact O-N 3.37Å; L333-V349 HydrophobicContact CD2-CG1 4.37Å
334E96.2Very high95.1Very high64 Ų6457.4 Ų57.430%0.29932%0.321SS..Hα-helixtrans-62.7-41.7177.7-169.6173.4159.500111.7R330 R332 R338 V349R330-E334 IonicContact NE-OE2 3.81Å; R330-E334 WeakPolarHBondContact O-CB 3.23Å; R330-E334 PolarHBondContact O-N 3.24Å; R332-E334 VanDerWaalsContact C-N 3.35Å; R332-E334 PolarHBondContact O-N 3.19Å; E334-R338 VanDerWaalsContact O-CB 3.32Å; E334-R338 WeakPolarHBondContact O-CB 3.37Å; E334-R338 PolarHBondContact O-N 2.96Å; E334-V349 HydrophobicContact CB-CB 4.44Å; E334-V349 HydrophobicContact CB-CG2 3.96Å; E334-V349 HydrophobicContact CG-CG2 4.15Å
335A95.6Very high95.2Very high52 Ų5258 Ų5843%0.4332%0.324SS..Hα-helixtrans-65.7-42.617700000113.2E331 R332 L333 R338 S339E331-A335 WeakPolarHBondContact O-CB 3.4Å; E331-A335 PolarHBondContact O-N 3.27Å; R332-A335 PolarHBondContact O-N 3.1Å; L333-A335 PolarHBondContact O-N 2.91Å; A335-R338 PolarHBondContact O-N 3.07Å; A335-S339 PolarHBondContact O-N 3.48Å; A335-S339 PolarHBondContact O-OG 3.29Å; A335-S339 VanDerWaalsContact O-OG 3.13Å
336E95.7Very high95.2Very high44 Ų4455.1 Ų55.121%0.20631%0.312CS..Hα-helixtrans-64.5-48.6176-69.3-73.9-178.900110.8F282 H283 P295 R332 L333 R338 S339 L340F282-E336 HydrophobicContact CD1-CG 4.4Å; H283-E336 IonicContact CE1-OE1 3.83Å; P295-E336 HydrophobicContact CB-CB 3.83Å; P295-E336 HydrophobicContact CG-CB 3.73Å; P295-E336 HydrophobicContact CG-CG 4.19Å; R332-E336 HydrophobicContact CG-CG 4.41Å; R332-E336 IonicContact CZ-OE1 3.85Å; R332-E336 VanDerWaalsContact CZ-OE1 3.23Å; R332-E336 IonicContact NE-OE1 3.18Å; R332-E336 PolarHBondContact NE-OE1 2.78Å; R332-E336 IonicContact NH2-OE1 3.71Å; R332-E336 PolarHBondContact NH2-OE1 3.21Å; R332-E336 VanDerWaalsContact O-CG 3.31Å; R332-E336 WeakPolarHBondContact O-CG 3.31Å; R332-E336 PolarHBondContact O-N 3.12Å; L333-E336 PolarHBondContact O-N 3.47Å; E336-R338 VanDerWaalsContact C-N 3.29Å; E336-R338 PolarHBondContact O-N 3.25Å; E336-S339 WeakPolarHBondContact O-CB 3.24Å; E336-S339 PolarHBondContact O-N 3.39Å; E336-L340 PolarHBondContact O-N 3.29Å
337L95.8Very high95.2Very high0 Ų055.6 Ų55.60%032%0.316CS..Hα-helixtrans-60.2-40.1177.1-73.7174.4000111.8P295 I298 I317 L333 S339 L340 V341 V347 V349P295-L337 HydrophobicContact CB-CD2 4.24Å; I298-L337 HydrophobicContact CB-CD2 3.88Å; I298-L337 HydrophobicContact CD1-CD1 4.11Å; I298-L337 HydrophobicContact CD1-CD2 4.25Å; I298-L337 HydrophobicContact CG2-CD1 4.35Å; I298-L337 HydrophobicContact CG2-CD2 3.57Å; I317-L337 HydrophobicContact CD1-CD1 3.59Å; L333-L337 HydrophobicContact CD1-CD1 4.01Å; L333-L337 HydrophobicContact CD1-CG 4.04Å; L333-L337 HydrophobicContact CG-CD1 3.92Å; L333-L337 HydrophobicContact CG-CG 4.38Å; L333-L337 WeakPolarHBondContact O-CB 3.48Å; L333-L337 VanDerWaalsContact O-CG 3.26Å; L333-L337 WeakPolarHBondContact O-CG 3.36Å; L333-L337 PolarHBondContact O-N 3.37Å; L337-S339 PolarHBondContact O-N 2.83Å; L337-L340 PolarHBondContact O-N 2.85Å; L337-V341 WeakPolarHBondContact O-CB 3.48Å; L337-V341 WeakPolarHBondContact O-CG2 3.49Å; L337-V341 PolarHBondContact O-N 3.44Å; L337-V347 HydrophobicContact CB-CG1 4.1Å; L337-V349 HydrophobicContact CD1-CG2 4.13Å
338R95.1Very high95.2Very high90 Ų9054.2 Ų54.234%0.3430%0.304SS..Hα-helixtrans-59.6-30.5177.5-173.461.8-83170.92.2112.5E334 A335 E336 V341 P342 A343 L345E334-R338 VanDerWaalsContact O-CB 3.32Å; E334-R338 WeakPolarHBondContact O-CB 3.37Å; E334-R338 PolarHBondContact O-N 2.96Å; A335-R338 PolarHBondContact O-N 3.07Å; E336-R338 VanDerWaalsContact C-N 3.29Å; E336-R338 PolarHBondContact O-N 3.25Å; R338-V341 PolarHBondContact NH2-O 3.22Å; R338-P342 PolarHBondContact NH2-O 2.96Å; R338-A343 VanDerWaalsContact NH2-CA 3.34Å; R338-L345 PolarHBondContact NH1-O 3.45Å
339S94.3Very high95.3Very high102 Ų10253.2 Ų53.271%0.71329%0.294SS*.Hα-helixtrans-77.4-28.4177.5-55.70000112.9A335 E336 L337A335-S339 PolarHBondContact O-N 3.48Å; A335-S339 PolarHBondContact O-OG 3.29Å; A335-S339 VanDerWaalsContact O-OG 3.13Å; E336-S339 WeakPolarHBondContact O-CB 3.24Å; E336-S339 PolarHBondContact O-N 3.39Å; L337-S339 PolarHBondContact O-N 2.83Å
340L94.8Very high95.3Very high86 Ų8656 Ų5645%0.4531%0.306SS..Hα-helixtrans-87.9-29.5178.7-63.5175.4000113.3P295 A299 E336 L337P295-L340 HydrophobicContact CB-CD1 3.87Å; A299-L340 HydrophobicContact CB-CB 4.48Å; A299-L340 HydrophobicContact CB-CD1 4.45Å; E336-L340 PolarHBondContact O-N 3.29Å; L337-L340 PolarHBondContact O-N 2.85Å
341V94.4Very high95.2Very high8 Ų854.4 Ų54.45%0.04830%0.303CS..SBendtrans-91139.7-172.41780000111.3Y314 L337 R338 A343 L345 V347Y314-V341 HydrophobicContact CD1-CG1 4.3Å; Y314-V341 HydrophobicContact CD1-CG2 3.62Å; Y314-V341 HydrophobicContact CD2-CG1 3.95Å; Y314-V341 HydrophobicContact CE1-CB 4.5Å; Y314-V341 HydrophobicContact CE1-CG1 4.4Å; Y314-V341 HydrophobicContact CE1-CG2 3.27Å; Y314-V341 HydrophobicContact CE2-CG1 4.03Å; Y314-V341 HydrophobicContact CE2-CG2 4.21Å; Y314-V341 HydrophobicContact CG-CG1 4.09Å; Y314-V341 HydrophobicContact CG-CG2 4.24Å; L337-V341 WeakPolarHBondContact O-CB 3.48Å; L337-V341 WeakPolarHBondContact O-CG2 3.49Å; L337-V341 PolarHBondContact O-N 3.44Å; R338-V341 PolarHBondContact NH2-O 3.22Å; V341-A343 PolarHBondContact O-N 3.39Å; V341-L345 HydrophobicContact CG1-CB 3.84Å; V341-L345 HydrophobicContact CG1-CD1 4.12Å; V341-V347 HydrophobicContact CB-CG2 3.88Å; V341-V347 HydrophobicContact CG1-CG2 3.76Å; V341-V347 HydrophobicContact CG2-CG2 4.09Å
342P94.2Very high95.1Very high65 Ų6550.1 Ų50.142%0.42229%0.285SS..  trans-52.6133.4174-28.534.1000113.9R338 H344 L345R338-P342 PolarHBondContact NH2-O 2.96Å; P342-H344 VanDerWaalsContact CB-CE1 3.47Å; P342-H344 WeakPolarHBondContact CB-CE1 3.49Å; P342-H344 PolarHBondContact O-N 3.45Å; P342-L345 HydrophobicContact CB-CD1 4.3Å; P342-L345 HydrophobicContact CB-CG 4.34Å; P342-L345 HydrophobicContact CG-CD1 4.18Å; P342-L345 PolarHBondContact O-N 3.48Å
343A93.2Very high94.8Very high97 Ų9759.3 Ų59.380%0.80233%0.328SS*.THydrogen-bonded Turntrans-55.5-27.2-170.300000115.5R338 V341R338-A343 VanDerWaalsContact NH2-CA 3.34Å; V341-A343 PolarHBondContact O-N 3.39Å
344H93.5Very high94.5Very high157 Ų15762.2 Ų62.273%0.72734%0.344SS*.THydrogen-bonded Turntrans-80.3-16.2-179.767.1-84.6000113.6P342P342-H344 VanDerWaalsContact CB-CE1 3.47Å; P342-H344 WeakPolarHBondContact CB-CE1 3.49Å; P342-H344 PolarHBondContact O-N 3.45Å
345L94.6Very high94.3Very high17 Ų1759.5 Ų59.59%0.08933%0.331CS..SBendtrans-84.9137.6178.9-62.9-179.2000110.7H310 P311 Y314 R338 V341 P342H310-L345 HydrophobicContact CB-CD1 4.34Å; P311-L345 HydrophobicContact CB-CD2 4.11Å; P311-L345 HydrophobicContact CG-CD2 3.74Å; Y314-L345 HydrophobicContact CD2-CD1 3.96Å; Y314-L345 HydrophobicContact CE2-CD1 4.1Å; R338-L345 PolarHBondContact NH1-O 3.45Å; V341-L345 HydrophobicContact CG1-CB 3.84Å; V341-L345 HydrophobicContact CG1-CD1 4.12Å; P342-L345 HydrophobicContact CB-CD1 4.3Å; P342-L345 HydrophobicContact CB-CG 4.34Å; P342-L345 HydrophobicContact CG-CD1 4.18Å; P342-L345 PolarHBondContact O-N 3.48Å
346P93.9Very high94.1Very high53 Ų5358 Ų5834%0.34432%0.317SS..  trans-68.8138.217330.1-34.5000110.1Y314 Q315Y314-P346 CarbonylContact C-O 3.59Å; Y314-P346 WeakPolarHBondContact CB-O 3.2Å; Q315-P346 HydrophobicContact CB-CB 4.35Å; Q315-P346 HydrophobicContact CB-CG 3.98Å; Q315-P346 HydrophobicContact CG-CG 4.47Å
347V96Very high93.9Very high23 Ų2356.2 Ų56.214%0.13931%0.309CS..  trans-121122.8169.1177.40000106.8Y314 L337 V341 V349Y314-V347 WeakPolarHBondContact O-CA 3.47Å; L337-V347 HydrophobicContact CB-CG1 4.1Å; V341-V347 HydrophobicContact CB-CG2 3.88Å; V341-V347 HydrophobicContact CG1-CG2 3.76Å; V341-V347 HydrophobicContact CG2-CG2 4.09Å; V347-V349 HydrophobicContact CG1-CG2 4.48Å
348N95.9Very high93.8Very high56 Ų5656.3 Ų56.330%0.29931%0.31SS..  trans-142.2122.1175.5165.361.9000110Y314 Q315 I317Y314-N348 PolarHBondContact O-N 2.87Å; Q315-N348 VanDerWaalsContact O-CB 3.31Å; Q315-N348 WeakPolarHBondContact O-CB 3.49Å; Q315-N348 PolarHBondContact O-ND2 2.84Å; I317-N348 PolarHBondContact N-O 3.22Å
349V96.8Very high93.7Very high0 Ų052.1 Ų52.10%029%0.294CS..EExtended strand (participates in β ladder)trans-107.9112.4-177.1-1760000108.8I317 L319 R330 L333 E334 L337 V347I317-V349 HydrophobicContact CB-CG2 4.45Å; I317-V349 HydrophobicContact CD1-CG2 4.34Å; I317-V349 HydrophobicContact CG2-CG1 4.48Å; L319-V349 HydrophobicContact CD1-CG1 3.45Å; L319-V349 VanDerWaalsContact CD1-CG1 3.45Å; L319-V349 HydrophobicContact CD2-CG1 3.89Å; L319-V349 HydrophobicContact CG-CG1 3.61Å; R330-V349 HydrophobicContact CG-CB 4.41Å; R330-V349 HydrophobicContact CG-CG1 4.11Å; R330-V349 PolarHBondContact NE-O 3.38Å; R330-V349 PolarHBondContact NH2-O 3.44Å; L333-V349 HydrophobicContact CD2-CG1 4.37Å; E334-V349 HydrophobicContact CB-CB 4.44Å; E334-V349 HydrophobicContact CB-CG2 3.96Å; E334-V349 HydrophobicContact CG-CG2 4.15Å; L337-V349 HydrophobicContact CD1-CG2 4.13Å; V347-V349 HydrophobicContact CG1-CG2 4.48Å
350F95.6Very high93.7Very high61 Ų6147.6 Ų47.627%0.26826%0.262SS..EExtended strand (participates in β ladder)trans-95.1115.6178.4179.7-109.4000110.4Y135 I317 V318 L319 P352 Y358Y135-F350 HydrophobicContact CD2-CD1 4.01Å; Y135-F350 HydrophobicContact CD2-CE1 4.23Å; Y135-F350 AromaticContact CE2-CD1 3.88Å; Y135-F350 HydrophobicContact CE2-CD1 3.88Å; Y135-F350 HydrophobicContact CE2-CE1 4.36Å; Y135-F350 HydrophobicContact CE2-CG 4.23Å; I317-F350 WeakPolarHBondContact O-CB 3.42Å; I317-F350 PolarHBondContact O-N 2.76Å; V318-F350 HydrophobicContact CG1-CD1 4.25Å; V318-F350 HydrophobicContact CG2-CD1 4.43Å; L319-F350 PolarHBondContact N-O 2.74Å; F350-P352 HydrophobicContact CD1-CG 4.22Å; F350-P352 HydrophobicContact CE1-CB 4.34Å; F350-P352 HydrophobicContact CE1-CG 3.8Å; F350-Y358 HydrophobicContact CE1-CE2 4.48Å
351L95.2Very high93.7Very high52 Ų5246.3 Ų46.327%0.27225%0.253SS..  trans-105.7113.7170-179.163000108.6L319 L324 R330 P355L319-L351 HydrophobicContact CB-CD1 3.94Å; L319-L351 HydrophobicContact CD1-CB 4.4Å; L319-L351 HydrophobicContact CD1-CD1 4.27Å; L324-L351 HydrophobicContact CB-CD1 4Å; L324-L351 HydrophobicContact CD1-CD1 4Å; R330-L351 HydrophobicContact CB-CB 4.47Å; R330-L351 HydrophobicContact CB-CD2 4.18Å; R330-L351 HydrophobicContact CG-CB 4.45Å; L351-P355 HydrophobicContact CD1-CB 4.08Å; L351-P355 HydrophobicContact CD1-CG 4.2Å
352P93.1Very high93.6Very high12 Ų1246 Ų468%0.07825%0.251CS..  trans-62.5159.2173.1-19.130.9000112.2L319 F350 N354 P355 Y358L319-P352 WeakPolarHBondContact O-CD 3.25Å; F350-P352 HydrophobicContact CD1-CG 4.22Å; F350-P352 HydrophobicContact CE1-CB 4.34Å; F350-P352 HydrophobicContact CE1-CG 3.8Å; P352-N354 VanDerWaalsContact C-N 3.31Å; P352-N354 PolarHBondContact O-N 3.21Å; P352-P355 WeakPolarHBondContact O-CD 3.43Å; P352-Y358 HydrophobicContact CB-CD2 3.47Å; P352-Y358 VanDerWaalsContact CB-CD2 3.47Å; P352-Y358 HydrophobicContact CB-CE2 3.66Å; P352-Y358 HydrophobicContact CB-CG 4.28Å; P352-Y358 HydrophobicContact CG-CD1 4.32Å; P352-Y358 HydrophobicContact CG-CD2 3.38Å; P352-Y358 HydrophobicContact CG-CE1 4.34Å; P352-Y358 HydrophobicContact CG-CE2 3.38Å; P352-Y358 HydrophobicContact CG-CG 3.87Å
353E89.2Confident93.5Very high206 Ų20642.9 Ų42.996%0.96323%0.231SC*.SBendtrans-63-37175.2-66.2-175.3175.400112.4P355E353-P355 WeakPolarHBondContact O-CD 3.25Å
354N90.6Very high93.5Very high62 Ų6241.3 Ų41.333%0.33221%0.206SC..  trans-121.776.1177.6-171.4-3.9000111.2P352 V356 C357 Y358P352-N354 VanDerWaalsContact C-N 3.31Å; P352-N354 PolarHBondContact O-N 3.21Å; N354-V356 PolarHBondContact O-N 3.03Å; N354-C357 WeakPolarHBondContact ND2-CB 3.35Å; N354-C357 PolarHBondContact ND2-SG 2.81Å; N354-C357 VanDerWaalsContact ND2-SG 3.45Å; N354-C357 PolarHBondContact O-N 3.07Å; N354-C357 PolarHBondContact OD1-N 2.74Å; N354-Y358 PolarHBondContact O-N 2.79Å; N354-Y358 VanDerWaalsContact O-N 3.13Å
355P92.1Very high93.4Very high6 Ų636.8 Ų36.84%0.03919%0.187CC..THydrogen-bonded Turntrans-67-18.7-177.828.8-34.8000112.7T320 G321 L324 L325 L351 P352 E353T320-P355 PolarHBondContact OG1-O 3.45Å; G321-P355 PolarHBondContact N-O 3.47Å; L324-P355 HydrophobicContact CB-CB 4.36Å; L324-P355 HydrophobicContact CB-CG 4.36Å; L324-P355 HydrophobicContact CD1-CB 3.97Å; L325-P355 HydrophobicContact CD2-CG 4.15Å; L351-P355 HydrophobicContact CD1-CB 4.08Å; L351-P355 HydrophobicContact CD1-CG 4.2Å; P352-P355 WeakPolarHBondContact O-CD 3.43Å; E353-P355 WeakPolarHBondContact O-CD 3.25Å
356V91.4Very high93.3Very high22 Ų2236.2 Ų36.213%0.13318%0.184CC..THydrogen-bonded Turntrans-72.9-43.6178.41800000110.8K14 L325 N354K14-V356 WeakPolarHBondContact CD-O 3.26Å; K14-V356 WeakPolarHBondContact CE-O 3.32Å; K14-V356 PolarHBondContact NZ-O 2.95Å; L325-V356 HydrophobicContact CD1-CG2 3.77Å; L325-V356 HydrophobicContact CD2-CG2 4.23Å; L325-V356 HydrophobicContact CG-CG2 4.11Å; N354-V356 PolarHBondContact O-N 3.03Å
357C93.1Very high93.1Very high5 Ų534.4 Ų34.43%0.03417%0.173CC..THydrogen-bonded Turntrans-97.2-1.5-176.4-53.10000113.6V22 N354 S359 W360 E361V22-C357 HydrophobicContact CG1-CB 4.02Å; N354-C357 WeakPolarHBondContact ND2-CB 3.35Å; N354-C357 PolarHBondContact ND2-SG 2.81Å; N354-C357 VanDerWaalsContact ND2-SG 3.45Å; N354-C357 PolarHBondContact O-N 3.07Å; N354-C357 PolarHBondContact OD1-N 2.74Å; C357-S359 VanDerWaalsContact C-N 3.31Å; C357-S359 PolarHBondContact O-N 2.81Å; C357-W360 WeakPolarHBondContact O-CA 3.36Å; C357-W360 WeakPolarHBondContact O-CB 3.38Å; C357-W360 PolarHBondContact O-N 2.9Å; C357-E361 PolarHBondContact O-N 2.88Å
358Y93.7Very high92.8Very high3 Ų338.8 Ų38.81%0.01219%0.192CC..Hα-helixtrans-52.5-44.2-175.3-166.2-104.5000113.8G131 H134 Y135 V318 F350 P352 N354 W360 E361 G362G131-Y358 VanDerWaalsContact O-CE1 3.22Å; G131-Y358 WeakPolarHBondContact O-CE1 3.31Å; H134-Y358 HydrophobicContact CB-CE1 4.19Å; H134-Y358 AromaticContact CE1-CE2 3.37Å; H134-Y358 WeakPolarHBondContact CE1-CE2 3.43Å; H134-Y358 AromaticContact CE1-CZ 3.94Å; H134-Y358 AromaticContact CG-CE2 3.9Å; H134-Y358 AromaticContact CG-CZ 3.84Å; H134-Y358 AromaticContact ND1-CD2 3.79Å; H134-Y358 AromaticContact ND1-CE2 2.96Å; H134-Y358 WeakPolarHBondContact ND1-CE2 3.22Å; H134-Y358 AromaticContact ND1-CZ 3.07Å; H134-Y358 PolarHBondContact ND1-OH 3.14Å; Y135-Y358 WeakPolarHBondContact CA-OH 3.43Å; Y135-Y358 PolarHBondContact N-OH 3.33Å; V318-Y358 HydrophobicContact CG1-CE1 3.78Å; F350-Y358 HydrophobicContact CE1-CE2 4.48Å; P352-Y358 HydrophobicContact CB-CD2 3.47Å; P352-Y358 VanDerWaalsContact CB-CD2 3.47Å; P352-Y358 HydrophobicContact CB-CE2 3.66Å; P352-Y358 HydrophobicContact CB-CG 4.28Å; P352-Y358 HydrophobicContact CG-CD1 4.32Å; P352-Y358 HydrophobicContact CG-CD2 3.38Å; P352-Y358 HydrophobicContact CG-CE1 4.34Å; P352-Y358 HydrophobicContact CG-CE2 3.38Å; P352-Y358 HydrophobicContact CG-CG 3.87Å; N354-Y358 PolarHBondContact O-N 2.79Å; N354-Y358 VanDerWaalsContact O-N 3.13Å; Y358-W360 VanDerWaalsContact C-N 3.35Å; Y358-W360 PolarHBondContact O-N 3.16Å; Y358-E361 PolarHBondContact O-N 3.42Å; Y358-G362 PolarHBondContact O-N 3.5Å
359S92.5Very high92.4Very high2 Ų237.2 Ų37.21%0.01419%0.186CC..Hα-helixtrans-65.8-36176.6-52.20000112.5A127 L130 T320 C357 G362 G363A127-S359 WeakPolarHBondContact O-CB 3.29Å; A127-S359 PolarHBondContact O-OG 2.78Å; L130-S359 WeakPolarHBondContact CB-O 3.47Å; L130-S359 WeakPolarHBondContact CD1-O 3.36Å; T320-S359 PolarHBondContact OG1-OG 3.45Å; C357-S359 VanDerWaalsContact C-N 3.31Å; C357-S359 PolarHBondContact O-N 2.81Å; S359-G362 PolarHBondContact O-N 3.06Å; S359-G363 PolarHBondContact O-N 3.33Å; S359-G363 VanDerWaalsContact O-N 3.11Å
360W94.6Very high91.9Very high7 Ų742.6 Ų42.63%0.02722%0.221CC..Hα-helixtrans-68.6-40.7175.7177.493.9000111.4V5 D7 K14 D20 V22 C357 Y358 G362 G363 K364V5-W360 HydrophobicContact CG1-CG 4.22Å; V5-W360 PolarHBondContact O-NE1 3.4Å; V5-W360 VanDerWaalsContact O-NE1 3.12Å; D7-W360 HydrophobicContact CB-CB 4.42Å; K14-W360 HydrophobicContact CB-CB 4.46Å; D20-W360 WeakPolarHBondContact O-CH2 3.33Å; V22-W360 HydrophobicContact CB-CD2 3.61Å; V22-W360 HydrophobicContact CB-CE3 3.55Å; V22-W360 HydrophobicContact CB-CG 4.31Å; V22-W360 HydrophobicContact CB-CH2 3.86Å; V22-W360 HydrophobicContact CB-CZ2 3.92Å; V22-W360 HydrophobicContact CB-CZ3 3.68Å; V22-W360 HydrophobicContact CG1-CE3 4.25Å; V22-W360 HydrophobicContact CG1-CZ3 4.36Å; V22-W360 HydrophobicContact CG2-CB 4.38Å; V22-W360 HydrophobicContact CG2-CD2 3.56Å; V22-W360 HydrophobicContact CG2-CE3 3.98Å; V22-W360 HydrophobicContact CG2-CG 3.73Å; V22-W360 HydrophobicContact CG2-CZ2 4.39Å; C357-W360 WeakPolarHBondContact O-CA 3.36Å; C357-W360 WeakPolarHBondContact O-CB 3.38Å; C357-W360 PolarHBondContact O-N 2.9Å; Y358-W360 VanDerWaalsContact C-N 3.35Å; Y358-W360 PolarHBondContact O-N 3.16Å; W360-G362 VanDerWaalsContact C-N 3.26Å; W360-G362 PolarHBondContact O-N 2.85Å; W360-G363 WeakPolarHBondContact O-CA 3.47Å; W360-G363 PolarHBondContact O-N 2.59Å; W360-K364 HydrophobicContact CH2-CD 4.02Å; W360-K364 HydrophobicContact CZ3-CD 4.08Å; W360-K364 PolarHBondContact O-N 3.04Å
361E93.4Very high91.3Very high59 Ų5943.4 Ų43.428%0.27623%0.228SC..Hα-helixtrans-61.3-38174.8-68.1172.9178.700111.1H134 C357 Y358 K364 L365H134-E361 IonicContact NE2-OE2 4Å; C357-E361 PolarHBondContact O-N 2.88Å; Y358-E361 PolarHBondContact O-N 3.42Å; E361-K364 WeakPolarHBondContact O-CB 3.41Å; E361-K364 PolarHBondContact O-N 3.35Å; E361-L365 WeakPolarHBondContact O-CG 3.39Å; E361-L365 PolarHBondContact O-N 3.08Å
362G92.8Very high90.9Very high0 Ų041.6 Ų41.60%022%0.217CC..Hα-helixtrans-60.3-41.1170.300000114L130 Y358 S359 W360 L365 L366L130-G362 WeakPolarHBondContact O-CA 3.05Å; Y358-G362 PolarHBondContact O-N 3.5Å; S359-G362 PolarHBondContact O-N 3.06Å; W360-G362 VanDerWaalsContact C-N 3.26Å; W360-G362 PolarHBondContact O-N 2.85Å; G362-L365 PolarHBondContact O-N 2.95Å; G362-L366 WeakPolarHBondContact O-CB 3.41Å; G362-L366 PolarHBondContact O-N 3.36Å
363G92.2Very high90.6Very high0 Ų046.7 Ų46.70%024%0.244CC..Hα-helixtrans-64.6-38.3173.800000113S359 W360 L365 L366 A367S359-G363 PolarHBondContact O-N 3.33Å; S359-G363 VanDerWaalsContact O-N 3.11Å; W360-G363 WeakPolarHBondContact O-CA 3.47Å; W360-G363 PolarHBondContact O-N 2.59Å; G363-L365 VanDerWaalsContact C-N 3.34Å; G363-L365 PolarHBondContact O-N 3.33Å; G363-L366 PolarHBondContact O-N 3.08Å; G363-A367 WeakPolarHBondContact O-CB 3.21Å; G363-A367 PolarHBondContact O-N 3.47Å
364K92.9Very high90.4Very high64 Ų6444.1 Ų44.128%0.27823%0.232SC..Hα-helixtrans-61.8-41.3173164.6168.2178.2155.70112.1S18 D20 W360 E361 H368S18-K364 WeakPolarHBondContact O-CD 3.43Å; S18-K364 WeakPolarHBondContact O-CE 3.44Å; S18-K364 VanDerWaalsContact O-CG 3.25Å; S18-K364 WeakPolarHBondContact O-CG 3.47Å; S18-K364 PolarHBondContact O-NZ 2.99Å; D20-K364 PolarHBondContact O-NZ 3.3Å; D20-K364 VanDerWaalsContact O-NZ 3.13Å; W360-K364 HydrophobicContact CH2-CD 4.02Å; W360-K364 HydrophobicContact CZ3-CD 4.08Å; W360-K364 PolarHBondContact O-N 3.04Å; E361-K364 WeakPolarHBondContact O-CB 3.41Å; E361-K364 PolarHBondContact O-N 3.35Å; K364-H368 PolarHBondContact O-ND1 3.16Å
365L92.3Very high90.2Very high62 Ų6244.4 Ų44.433%0.32523%0.232SC..Hα-helixtrans-68.3-42.5174.9-68.1176.2000111.7H134 T137 E361 G362 G363 A367 H368 S369H134-L365 HydrophobicContact CB-CD1 4.37Å; H134-L365 WeakPolarHBondContact CD2-CD1 3.43Å; T137-L365 HydrophobicContact CG2-CD1 4.04Å; E361-L365 WeakPolarHBondContact O-CG 3.39Å; E361-L365 PolarHBondContact O-N 3.08Å; G362-L365 PolarHBondContact O-N 2.95Å; G363-L365 VanDerWaalsContact C-N 3.34Å; G363-L365 PolarHBondContact O-N 3.33Å; L365-A367 VanDerWaalsContact C-N 3.3Å; L365-A367 PolarHBondContact O-N 2.76Å; L365-H368 PolarHBondContact O-N 3.17Å; L365-S369 PolarHBondContact O-N 3.17Å
366L91.5Very high90.2Very high5 Ų544.2 Ų44.23%0.02623%0.231CC..Hα-helixtrans-60.2-40.6178.1-175.666.3000111.6L123 I125 L130 G362 G363 H368 S369 Y372 M375L123-L366 HydrophobicContact CD2-CD2 3.83Å; I125-L366 HydrophobicContact CD1-CD2 3.77Å; L130-L366 HydrophobicContact CD2-CB 4.35Å; L130-L366 HydrophobicContact CD2-CD2 3.64Å; G362-L366 WeakPolarHBondContact O-CB 3.41Å; G362-L366 PolarHBondContact O-N 3.36Å; G363-L366 PolarHBondContact O-N 3.08Å; L366-H368 PolarHBondContact O-N 3.45Å; L366-H368 VanDerWaalsContact O-N 3.09Å; L366-S369 WeakPolarHBondContact O-CB 3.39Å; L366-S369 PolarHBondContact O-N 3.14Å; L366-Y372 WeakPolarHBondContact O-CB 3.33Å; L366-M375 HydrophobicContact CD1-SD 4.2Å
367A91.3Very high90.2Very high15 Ų1543.1 Ų43.112%0.12422%0.224CC..THydrogen-bonded Turntrans-60.7-18.2176.300000114.3T3 I94 G363 L365T3-A367 HydrophobicContact CG2-CB 3.69Å; I94-A367 HydrophobicContact CD1-CB 3.95Å; G363-A367 WeakPolarHBondContact O-CB 3.21Å; G363-A367 PolarHBondContact O-N 3.47Å; L365-A367 VanDerWaalsContact C-N 3.3Å; L365-A367 PolarHBondContact O-N 2.76Å
368H89.2Confident90.2Very high116 Ų11645.8 Ų45.854%0.53724%0.237SC..THydrogen-bonded Turntrans-105.62.5175.6-65.288.8000112.6K364 L365 L366K364-H368 PolarHBondContact O-ND1 3.16Å; L365-H368 PolarHBondContact O-N 3.17Å; L366-H368 PolarHBondContact O-N 3.45Å; L366-H368 VanDerWaalsContact O-N 3.09Å
369S87.6Confident90.2Very high23 Ų2349.6 Ų49.616%0.16125%0.251CS..SBendtrans-76.5144.2178.6-174.20000110.6L365 L366 D371 Y372L365-S369 PolarHBondContact O-N 3.17Å; L366-S369 WeakPolarHBondContact O-CB 3.39Å; L366-S369 PolarHBondContact O-N 3.14Å; S369-D371 PolarHBondContact O-N 3.29Å; S369-D371 PolarHBondContact OG-N 3.26Å; S369-Y372 VanDerWaalsContact O-CB 3.25Å; S369-Y372 WeakPolarHBondContact O-CB 3.11Å; S369-Y372 PolarHBondContact O-N 2.95Å
370P84.9Confident90.1Very high113 Ų11356.2 Ų56.273%0.73428%0.282SS*.THydrogen-bonded Turntrans-59.2-26.917225.7-36000113Y372P370-Y372 PolarHBondContact O-N 3Å
371D83.7Confident90Very high78 Ų7858.2 Ų58.242%0.41729%0.293SS..THydrogen-bonded Turntrans-77.8-7.8-178.1-52.2-28.8000112.7S369 D373 E374 M375S369-D371 PolarHBondContact O-N 3.29Å; S369-D371 PolarHBondContact OG-N 3.26Å; D371-D373 PolarHBondContact O-N 3.31Å; D371-E374 PolarHBondContact O-N 2.83Å; D371-M375 HydrophobicContact CB-CE 3.97Å; D371-M375 WeakPolarHBondContact O-CG 3.48Å; D371-M375 PolarHBondContact O-N 3.5Å
372Y87.3Confident89.9Confident14 Ų1455.9 Ų55.96%0.05528%0.282CS..Hα-helixtrans-60.4-45.2-174.9179.9-113.5000112.6T3 S92 I94 L123 L366 S369 P370 E374 M375 V376T3-Y372 HydrophobicContact CG2-CE2 4.48Å; T3-Y372 WeakPolarHBondContact CG2-OH 3.25Å; T3-Y372 PolarHBondContact OG1-OH 3.34Å; S92-Y372 WeakPolarHBondContact CB-OH 3.31Å; S92-Y372 PolarHBondContact OG-OH 3.34Å; I94-Y372 HydrophobicContact CD1-CD2 4.28Å; I94-Y372 HydrophobicContact CD1-CE2 3.53Å; I94-Y372 HydrophobicContact CG1-CE2 3.79Å; L123-Y372 HydrophobicContact CD2-CD2 4.25Å; L123-Y372 HydrophobicContact CD2-CE2 4.02Å; L366-Y372 WeakPolarHBondContact O-CB 3.33Å; S369-Y372 VanDerWaalsContact O-CB 3.25Å; S369-Y372 WeakPolarHBondContact O-CB 3.11Å; S369-Y372 PolarHBondContact O-N 2.95Å; P370-Y372 PolarHBondContact O-N 3Å; Y372-E374 PolarHBondContact O-N 2.86Å; Y372-M375 PolarHBondContact O-N 3.48Å; Y372-M375 VanDerWaalsContact O-N 3.12Å; Y372-V376 HydrophobicContact CD1-CG2 4.13Å; Y372-V376 HydrophobicContact CD2-CG2 3.79Å; Y372-V376 HydrophobicContact CE1-CG2 3.79Å; Y372-V376 HydrophobicContact CE2-CG2 3.36Å; Y372-V376 HydrophobicContact CG-CG2 4.15Å; Y372-V376 VanDerWaalsContact CZ-CG2 3.4Å; Y372-V376 WeakPolarHBondContact O-CG2 3.4Å; Y372-V376 PolarHBondContact O-N 2.94Å
373D85.9Confident89.8Confident119 Ų11961.7 Ų61.764%0.63631%0.309SS*.Hα-helixtrans-65.6-24.9-177-66.6-28.8000112.2D371D371-D373 PolarHBondContact O-N 3.31Å
374E85.6Confident89.8Confident152 Ų15269.2 Ų69.271%0.7134%0.344SS*.Hα-helixtrans-78.7-30.2176.3-61.2-171.4172.400112.6D371 Y372D371-E374 PolarHBondContact O-N 2.83Å; Y372-E374 PolarHBondContact O-N 2.86Å
375M87.1Confident89.6Confident67 Ų6770.4 Ų70.433%0.3335%0.353SS..Hα-helixtrans-84.9-24.3-177.3-64.4-176-17300113.2L123 L366 D371 Y372L123-M375 HydrophobicContact CD1-CB 3.99Å; L123-M375 WeakPolarHBondContact CD1-O 3.42Å; L123-M375 HydrophobicContact CD2-CB 4.33Å; L366-M375 HydrophobicContact CD1-SD 4.2Å; D371-M375 HydrophobicContact CB-CE 3.97Å; D371-M375 WeakPolarHBondContact O-CG 3.48Å; D371-M375 PolarHBondContact O-N 3.5Å; Y372-M375 PolarHBondContact O-N 3.48Å; Y372-M375 VanDerWaalsContact O-N 3.12Å
376V91Very high89.4Confident2 Ų268.8 Ų68.81%0.01235%0.352CS..PPolyproline II helixtrans-79.3143.7-173.9170.60000111.6S121 L123 Y372 K393S121-V376 WeakPolarHBondContact OG-CG1 3.47Å; L123-V376 HydrophobicContact CB-CG2 4.05Å; L123-V376 HydrophobicContact CD2-CG2 4.49Å; Y372-V376 HydrophobicContact CD1-CG2 4.13Å; Y372-V376 HydrophobicContact CD2-CG2 3.79Å; Y372-V376 HydrophobicContact CE1-CG2 3.79Å; Y372-V376 HydrophobicContact CE2-CG2 3.36Å; Y372-V376 HydrophobicContact CG-CG2 4.15Å; Y372-V376 VanDerWaalsContact CZ-CG2 3.4Å; Y372-V376 WeakPolarHBondContact O-CG2 3.4Å; Y372-V376 PolarHBondContact O-N 2.94Å; V376-K393 PolarHBondContact O-NZ 3.01Å
377V92.5Very high89.1Confident0 Ų071.2 Ų71.20%036%0.363CS..EExtended strand (participates in β ladder)trans-102.1122.6171.2176.30000108.6F114 S121 A122 D381 V389 K393 F394F114-V377 HydrophobicContact CE2-CG1 4.47Å; F114-V377 HydrophobicContact CZ-CB 4.21Å; F114-V377 HydrophobicContact CZ-CG1 3.93Å; S121-V377 CarbonylContact C-O 3.45Å; S121-V377 WeakPolarHBondContact CA-O 3.35Å; S121-V377 VanDerWaalsContact CB-O 3.26Å; S121-V377 WeakPolarHBondContact CB-O 3.41Å; A122-V377 PolarHBondContact N-O 3.39Å; A122-V377 PolarHBondContact O-N 3.18Å; V377-D381 HydrophobicContact CG1-CB 4.43Å; V377-V389 HydrophobicContact CG1-CG1 3.77Å; V377-V389 HydrophobicContact CG1-CG2 4.34Å; V377-V389 HydrophobicContact CG2-CG2 4.39Å; V377-K393 HydrophobicContact CG2-CB 3.91Å; V377-K393 HydrophobicContact CG2-CD 3.82Å; V377-K393 HydrophobicContact CG2-CG 4.4Å; V377-F394 HydrophobicContact CB-CE1 3.94Å; V377-F394 HydrophobicContact CB-CZ 3.78Å; V377-F394 HydrophobicContact CG2-CD1 4.08Å; V377-F394 HydrophobicContact CG2-CE1 3.32Å; V377-F394 HydrophobicContact CG2-CE2 4.23Å; V377-F394 HydrophobicContact CG2-CZ 3.43Å; V377-F394 VanDerWaalsContact CG2-CZ 3.43Å
378M92.8Very high88.8Confident61 Ų6175.5 Ų75.530%0.338%0.383SS..EExtended strand (participates in β ladder)trans-78.4151.3174.2-63.6-65.3176.600110.3S121 E380 D381 Y382S121-M378 VanDerWaalsContact CB-SD 3.52Å; M378-E380 VanDerWaalsContact C-N 3.25Å; M378-E380 PolarHBondContact O-N 2.81Å; M378-D381 WeakPolarHBondContact O-CB 3.35Å; M378-D381 PolarHBondContact O-N 3.12Å; M378-Y382 PolarHBondContact O-N 3Å; M378-Y382 VanDerWaalsContact O-N 3.1Å
379R92.3Very high88.7Confident83 Ų8370.6 Ų70.631%0.31336%0.361SS..Hα-helixtrans-58.7-38.7176.7-173.2176.569.7110.20.2112.4F114 Q120 Y382 E383F114-R379 HydrophobicContact CD1-CB 3.91Å; F114-R379 HydrophobicContact CD1-CG 4Å; F114-R379 HydrophobicContact CE1-CB 4.22Å; Q120-R379 WeakPolarHBondContact O-CB 3.41Å; Q120-R379 PolarHBondContact O-N 2.76Å; R379-Y382 WeakPolarHBondContact O-CB 3.46Å; R379-Y382 PolarHBondContact O-N 3.42Å; R379-E383 HydrophobicContact CG-CG 4.39Å; R379-E383 IonicContact CZ-OE1 3.65Å; R379-E383 IonicContact NE-OE1 3.21Å; R379-E383 IonicContact NH1-OE1 2.68Å; R379-E383 PolarHBondContact NH1-OE1 3.07Å; R379-E383 WeakPolarHBondContact O-CG 3.38Å; R379-E383 PolarHBondContact O-N 3.25Å
380E92Very high88.4Confident140 Ų14069.5 Ų69.565%0.65435%0.353SS*.Hα-helixtrans-60.2-46176.7-64.2169.7-171.500111M378 Y382 E383 E384M378-E380 VanDerWaalsContact C-N 3.25Å; M378-E380 PolarHBondContact O-N 2.81Å; E380-Y382 VanDerWaalsContact C-N 3.27Å; E380-Y382 PolarHBondContact O-N 3.49Å; E380-E383 PolarHBondContact O-N 2.71Å; E380-E384 WeakPolarHBondContact O-CG 3.28Å; E380-E384 PolarHBondContact O-N 2.89Å; E380-E384 VanDerWaalsContact O-N 3.12Å
381D90.9Very high88.2Confident49 Ų4969.9 Ų69.926%0.26235%0.345SS..Hα-helixtrans-60.2-38.3175.9-63-20.3000111.8V377 M378 N385 V389 K393V377-D381 HydrophobicContact CG1-CB 4.43Å; M378-D381 WeakPolarHBondContact O-CB 3.35Å; M378-D381 PolarHBondContact O-N 3.12Å; D381-N385 WeakPolarHBondContact O-CB 3.5Å; D381-N385 PolarHBondContact O-N 3.2Å; D381-N385 PolarHBondContact O-ND2 2.7Å; D381-V389 HydrophobicContact CB-CG2 4.35Å; D381-K393 IonicContact OD2-NZ 3.39Å; D381-K393 PolarHBondContact OD2-NZ 3.38Å
382Y91.8Very high88.1Confident10 Ų1073.6 Ų73.64%0.03936%0.36CS..Hα-helixtrans-70.9-40.9178.1177.9-96000112.2N110 F114 E115 M378 R379 E380 E384 G386 H387N110-Y382 HydrophobicContact CB-CE2 3.93Å; F114-Y382 HydrophobicContact CB-CD1 3.53Å; F114-Y382 HydrophobicContact CB-CE1 3.67Å; F114-Y382 HydrophobicContact CB-CG 4.2Å; F114-Y382 HydrophobicContact CD1-CD1 4.47Å; F114-Y382 HydrophobicContact CD1-CG 4.46Å; F114-Y382 AromaticContact CD2-CD1 3.82Å; F114-Y382 HydrophobicContact CD2-CD1 3.82Å; F114-Y382 AromaticContact CD2-CD2 3.72Å; F114-Y382 HydrophobicContact CD2-CD2 3.72Å; F114-Y382 HydrophobicContact CD2-CE1 4.12Å; F114-Y382 HydrophobicContact CD2-CE2 4.02Å; F114-Y382 AromaticContact CD2-CG 3.6Å; F114-Y382 HydrophobicContact CD2-CG 3.6Å; F114-Y382 AromaticContact CE2-CD2 3.95Å; F114-Y382 HydrophobicContact CE2-CD2 3.95Å; F114-Y382 HydrophobicContact CE2-CG 4Å; F114-Y382 AromaticContact CG-CD1 3.71Å; F114-Y382 HydrophobicContact CG-CD1 3.71Å; F114-Y382 HydrophobicContact CG-CD2 4.42Å; F114-Y382 HydrophobicContact CG-CE1 4.17Å; F114-Y382 AromaticContact CG-CG 3.85Å; F114-Y382 HydrophobicContact CG-CG 3.85Å; E115-Y382 HydrophobicContact CG-CE1 4.26Å; M378-Y382 PolarHBondContact O-N 3Å; M378-Y382 VanDerWaalsContact O-N 3.1Å; R379-Y382 WeakPolarHBondContact O-CB 3.46Å; R379-Y382 PolarHBondContact O-N 3.42Å; E380-Y382 VanDerWaalsContact C-N 3.27Å; E380-Y382 PolarHBondContact O-N 3.49Å; Y382-E384 VanDerWaalsContact C-N 3.26Å; Y382-E384 PolarHBondContact O-N 2.7Å; Y382-G386 WeakPolarHBondContact CD2-O 3.4Å; Y382-G386 WeakPolarHBondContact O-CA 3.3Å; Y382-G386 PolarHBondContact O-N 2.93Å; Y382-H387 AromaticContact CE2-ND1 3.61Å; Y382-H387 AromaticContact CZ-CE1 3.99Å; Y382-H387 AromaticContact CZ-ND1 3.95Å; Y382-H387 PolarHBondContact OH-CE1 3.06Å; Y382-H387 PolarHBondContact OH-ND1 3.12Å
383E90.9Very high87.7Confident123 Ų12376.7 Ų76.758%0.57537%0.374SS*.Hα-helixtrans-63.9-32.5176.7-73.9176.1-172.500111.8R379 E380R379-E383 HydrophobicContact CG-CG 4.39Å; R379-E383 IonicContact CZ-OE1 3.65Å; R379-E383 IonicContact NE-OE1 3.21Å; R379-E383 IonicContact NH1-OE1 2.68Å; R379-E383 PolarHBondContact NH1-OE1 3.07Å; R379-E383 WeakPolarHBondContact O-CG 3.38Å; R379-E383 PolarHBondContact O-N 3.25Å; E380-E383 PolarHBondContact O-N 2.71Å
384E91.9Very high87.4Confident158 Ų15871.6 Ų71.674%0.73835%0.346SS*.Hα-helixtrans-81.2-44.1178-69.6-174.4173.900113.7E380 Y382E380-E384 WeakPolarHBondContact O-CG 3.28Å; E380-E384 PolarHBondContact O-N 2.89Å; E380-E384 VanDerWaalsContact O-N 3.12Å; Y382-E384 VanDerWaalsContact C-N 3.26Å; Y382-E384 PolarHBondContact O-N 2.7Å
385N89.4Confident86.5Confident88 Ų8868.3 Ų68.347%0.47133%0.333SS..Hα-helixtrans-108.1-6.6-168.9-57.9-70000113.9D381 V389D381-N385 WeakPolarHBondContact O-CB 3.5Å; D381-N385 PolarHBondContact O-N 3.2Å; D381-N385 PolarHBondContact O-ND2 2.7Å; N385-V389 HydrophobicContact CB-CB 4.13Å; N385-V389 HydrophobicContact CB-CG1 4.32Å
386G88.9Confident85.2Confident28 Ų2866.6 Ų66.629%0.28933%0.325SS..THydrogen-bonded Turntrans62.1-142.2-176.400000112.6Y382 I388 V389Y382-G386 WeakPolarHBondContact CD2-O 3.4Å; Y382-G386 WeakPolarHBondContact O-CA 3.3Å; Y382-G386 PolarHBondContact O-N 2.93Å; G386-I388 VanDerWaalsContact C-N 3.29Å; G386-I388 PolarHBondContact O-N 2.97Å; G386-V389 WeakPolarHBondContact O-CG1 3.14Å
387H85Confident84.9Confident57 Ų5769.8 Ų69.826%0.26434%0.341SS..THydrogen-bonded Turntrans-71.1-18.5-175.5-60.4-58.9000114.9E107 Y382 V389 C390 E391E107-H387 HydrophobicContact CG-CB 4.47Å; E107-H387 PolarHBondContact O-CE1 3.08Å; Y382-H387 AromaticContact CE2-ND1 3.61Å; Y382-H387 AromaticContact CZ-CE1 3.99Å; Y382-H387 AromaticContact CZ-ND1 3.95Å; Y382-H387 PolarHBondContact OH-CE1 3.06Å; Y382-H387 PolarHBondContact OH-ND1 3.12Å; H387-V389 VanDerWaalsContact C-N 3.34Å; H387-V389 PolarHBondContact O-N 3.01Å; H387-C390 WeakPolarHBondContact O-CB 3.4Å; H387-C390 PolarHBondContact O-N 3.29Å; H387-C390 VanDerWaalsContact O-N 3.12Å; H387-E391 PolarHBondContact O-N 2.77Å
388I85.2Confident84.5Confident105 Ų10573.5 Ų73.554%0.53836%0.359SS..Hα-helixtrans-63.2-41.3-172.7-63.5170.1000111G386 C390 E391 E392G386-I388 VanDerWaalsContact C-N 3.29Å; G386-I388 PolarHBondContact O-N 2.97Å; I388-C390 PolarHBondContact O-N 2.84Å; I388-E391 PolarHBondContact O-N 2.93Å; I388-E392 HydrophobicContact CG2-CG 4.44Å; I388-E392 PolarHBondContact O-N 3.34Å; I388-E392 VanDerWaalsContact O-N 3.09Å
389V86.2Confident84Confident13 Ų1374.2 Ų74.28%0.07936%0.362CS..Hα-helixtrans-61.9-32.1178.766.60000112.3V377 D381 N385 G386 H387 E392 K393V377-V389 HydrophobicContact CG1-CG1 3.77Å; V377-V389 HydrophobicContact CG1-CG2 4.34Å; V377-V389 HydrophobicContact CG2-CG2 4.39Å; D381-V389 HydrophobicContact CB-CG2 4.35Å; N385-V389 HydrophobicContact CB-CB 4.13Å; N385-V389 HydrophobicContact CB-CG1 4.32Å; G386-V389 WeakPolarHBondContact O-CG1 3.14Å; H387-V389 VanDerWaalsContact C-N 3.34Å; H387-V389 PolarHBondContact O-N 3.01Å; V389-E392 PolarHBondContact O-N 3.03Å; V389-K393 HydrophobicContact CG2-CD 4.22Å; V389-K393 HydrophobicContact CG2-CG 4.43Å; V389-K393 WeakPolarHBondContact O-CB 3.49Å; V389-K393 PolarHBondContact O-N 3.14Å
390C82.1Confident83.5Confident0 Ų073.6 Ų73.60%037%0.365CS..Hα-helixtrans-70.4-32.1176.6-65.30000112.1H387 I388 F394H387-C390 WeakPolarHBondContact O-CB 3.4Å; H387-C390 PolarHBondContact O-N 3.29Å; H387-C390 VanDerWaalsContact O-N 3.12Å; I388-C390 PolarHBondContact O-N 2.84Å; C390-F394 HydrophobicContact CB-CD2 3.65Å; C390-F394 HydrophobicContact CB-CE2 3.47Å; C390-F394 VanDerWaalsContact CB-CE2 3.47Å; C390-F394 HydrophobicContact CB-CZ 4.4Å; C390-F394 WeakPolarHBondContact O-CB 3.41Å; C390-F394 WeakPolarHBondContact O-CD2 3.38Å; C390-F394 WeakPolarHBondContact O-CG 3.48Å; C390-F394 PolarHBondContact O-N 2.95Å
391E80.5Confident83Confident120 Ų12069.5 Ų69.556%0.56135%0.346SS*.Hα-helixtrans-76.3-33.1176-65.2-172.3166.500112.2H387 I388H387-E391 PolarHBondContact O-N 2.77Å; I388-E391 PolarHBondContact O-N 2.93Å
392E79.9Confident82.5Confident157 Ų15770.9 Ų70.973%0.73435%0.352SS*.Hα-helixtrans-75.5-42.5179.5-69.2-176168.900112.8I388 V389I388-E392 HydrophobicContact CG2-CG 4.44Å; I388-E392 PolarHBondContact O-N 3.34Å; I388-E392 VanDerWaalsContact O-N 3.09Å; V389-E392 PolarHBondContact O-N 3.03Å
393K80.1Confident81.8Confident79 Ų7975.2 Ų75.234%0.34337%0.374SS..Hα-helixtrans-86.1-36.9-176.8-76.2-169.7172.61780113.9V376 V377 D381 V389 D395V376-K393 PolarHBondContact O-NZ 3.01Å; V377-K393 HydrophobicContact CG2-CB 3.91Å; V377-K393 HydrophobicContact CG2-CD 3.82Å; V377-K393 HydrophobicContact CG2-CG 4.4Å; D381-K393 IonicContact OD2-NZ 3.39Å; D381-K393 PolarHBondContact OD2-NZ 3.38Å; V389-K393 HydrophobicContact CG2-CD 4.22Å; V389-K393 HydrophobicContact CG2-CG 4.43Å; V389-K393 WeakPolarHBondContact O-CB 3.49Å; V389-K393 PolarHBondContact O-N 3.14Å; K393-D395 PolarHBondContact O-N 3.44Å
394F79.1Confident81.1Confident11 Ų1171.5 Ų71.55%0.04836%0.359CS..  trans-81.9117.6-175-55.9-34000111.4A122 L123 R124 V377 C390 I396A122-F394 VanDerWaalsContact O-CE1 3.24Å; A122-F394 WeakPolarHBondContact O-CE1 3.36Å; A122-F394 VanDerWaalsContact O-CZ 3.29Å; A122-F394 WeakPolarHBondContact O-CZ 3.44Å; L123-F394 HydrophobicContact CD1-CD1 3.8Å; L123-F394 HydrophobicContact CD1-CE1 4.06Å; R124-F394 HydrophobicContact CB-CD2 3.83Å; R124-F394 HydrophobicContact CB-CE2 4.05Å; R124-F394 HydrophobicContact CB-CG 4.13Å; R124-F394 HydrophobicContact CG-CD2 4.1Å; R124-F394 HydrophobicContact CG-CE2 3.84Å; R124-F394 HydrophobicContact CG-CZ 4.36Å; R124-F394 VanDerWaalsContact NE-CE2 3.32Å; V377-F394 HydrophobicContact CB-CE1 3.94Å; V377-F394 HydrophobicContact CB-CZ 3.78Å; V377-F394 HydrophobicContact CG2-CD1 4.08Å; V377-F394 HydrophobicContact CG2-CE1 3.32Å; V377-F394 HydrophobicContact CG2-CE2 4.23Å; V377-F394 HydrophobicContact CG2-CZ 3.43Å; V377-F394 VanDerWaalsContact CG2-CZ 3.43Å; C390-F394 HydrophobicContact CB-CD2 3.65Å; C390-F394 HydrophobicContact CB-CE2 3.47Å; C390-F394 VanDerWaalsContact CB-CE2 3.47Å; C390-F394 HydrophobicContact CB-CZ 4.4Å; C390-F394 WeakPolarHBondContact O-CB 3.41Å; C390-F394 WeakPolarHBondContact O-CD2 3.38Å; C390-F394 WeakPolarHBondContact O-CG 3.48Å; C390-F394 PolarHBondContact O-N 2.95Å; F394-I396 VanDerWaalsContact C-N 3.28Å; F394-I396 HydrophobicContact CB-CD1 3.57Å; F394-I396 HydrophobicContact CB-CG1 3.72Å; F394-I396 HydrophobicContact CD2-CD1 4.1Å; F394-I396 HydrophobicContact CG-CD1 4.25Å; F394-I396 PolarHBondContact O-N 3.49Å
395D66.4Low80.2Confident83 Ų8364.3 Ų64.344%0.44433%0.327SS..  trans-79.174.8173.2-174.117.1000110.9K165 K393K165-D395 WeakPolarHBondContact CE-OD1 3.33Å; K165-D395 PolarHBondContact NZ-O 2.95Å; K165-D395 IonicContact NZ-OD1 3.67Å; K165-D395 PolarHBondContact NZ-OD1 3.42Å; K393-D395 PolarHBondContact O-N 3.44Å
396I59.6Low79.4Confident31 Ų3162.2 Ų62.216%0.15931%0.314CS..  trans-100.10-176.2-62.2170.1000114E97 R124 N126 K165 F394E97-I396 HydrophobicContact CG-CD1 4.4Å; E97-I396 HydrophobicContact CG-CG2 3.99Å; E97-I396 WeakPolarHBondContact OE1-CG2 3.2Å; R124-I396 HydrophobicContact CB-CD1 3.64Å; R124-I396 HydrophobicContact CB-CG1 4.35Å; N126-I396 PolarHBondContact ND2-OXT 2.89Å; N126-I396 VanDerWaalsContact ND2-OXT 3.1Å; N126-I396 PolarHBondContact OD1-OXT 3.23Å; N126-I396 VanDerWaalsContact OD1-OXT 3.13Å; K165-I396 PolarHBondContact NZ-O 3Å; K165-I396 PolarHBondContact NZ-OXT 3.44Å; F394-I396 VanDerWaalsContact C-N 3.28Å; F394-I396 HydrophobicContact CB-CD1 3.57Å; F394-I396 HydrophobicContact CB-CG1 3.72Å; F394-I396 HydrophobicContact CD2-CD1 4.1Å; F394-I396 HydrophobicContact CG-CD1 4.25Å; F394-I396 PolarHBondContact O-N 3.49Å

Retrieved 396 of 396 residues in 1044 ms (Link to these results)

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