A0A087X8G3_POEFO Loading...

WD repeat containing planar cell polarity effector

AlphaFold DB , UniProt , Accession A0A087X8G3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 643 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1Q70.7Confident87.3Confident183 Ų18335.7 Ų35.786%0.85517%0.171SC*.  0131.60-172.9172.52.900106.7C466Q1-C466 WeakPolarHBondContact O-CB 3.31Å
2M82.8Confident87.7Confident111 Ų11133.3 Ų33.355%0.54716%0.159SC..  trans-76.1150.2178.7-67.6-62.2-178.700110.5Q468M2-Q468 HydrophobicContact SD-CG 4.47Å; M2-Q468 PolarHBondContact SD-NE2 3.09Å
3A86.8Confident87.7Confident0 Ų030.8 Ų30.80%015%0.147CC..  trans-65.8142.1168.800000110L384 N385 Q462 R463 C466 Q468A3-L384 HydrophobicContact CB-CD2 4.16Å; A3-N385 PolarHBondContact O-N 3.21Å; A3-Q462 HydrophobicContact CB-CG 4.08Å; A3-R463 HydrophobicContact CB-CG 4.48Å; A3-C466 VanDerWaalsContact CA-SG 3.6Å; A3-C466 HydrophobicContact CB-CB 4.39Å; A3-C466 PolarHBondContact N-SG 2.84Å; A3-Q468 VanDerWaalsContact CB-OE1 3.23Å
4F87.4Confident87.6Confident43 Ų4330.4 Ų30.419%0.18915%0.148CC..EExtended strand (participates in β ladder)trans-150153-175.269.4-81.8000112.9L6 N385 P395 Q462F4-L6 HydrophobicContact CD2-CD2 4.21Å; F4-L6 HydrophobicContact CD2-CG 4.11Å; F4-L6 HydrophobicContact CE2-CD1 4.09Å; F4-L6 HydrophobicContact CE2-CD2 3.81Å; F4-L6 HydrophobicContact CE2-CG 3.67Å; F4-N385 CarbonylContact C-O 3.57Å; F4-N385 WeakPolarHBondContact CA-O 3.08Å; F4-N385 HydrophobicContact CB-CB 3.76Å; F4-N385 WeakPolarHBondContact CB-O 3.48Å; F4-P395 HydrophobicContact CB-CB 3.53Å; F4-P395 HydrophobicContact CB-CG 4.08Å; F4-P395 HydrophobicContact CD1-CB 4.41Å; F4-P395 HydrophobicContact CD1-CG 4.07Å; F4-P395 HydrophobicContact CD2-CB 3.75Å; F4-P395 HydrophobicContact CD2-CG 4.03Å; F4-P395 HydrophobicContact CE2-CG 4.47Å; F4-P395 HydrophobicContact CG-CB 3.66Å; F4-P395 HydrophobicContact CG-CG 3.81Å; F4-Q462 PolarHBondContact O-NE2 3.48Å
5C86.7Confident87.2Confident1 Ų133 Ų331%0.00716%0.158CC..EExtended strand (participates in β ladder)trans-101.8129.3175.2-60.20000109.4N385 M386 D387 F444 L446C5-N385 PolarHBondContact N-O 3.47Å; C5-M386 HydrophobicContact CB-CG 4.44Å; C5-M386 WeakPolarHBondContact O-CA 3.34Å; C5-D387 PolarHBondContact O-N 2.68Å; C5-F444 HydrophobicContact CB-CD1 4.22Å; C5-L446 HydrophobicContact CB-CD1 4.2Å; C5-L446 WeakPolarHBondContact SG-CD1 3.41Å
6L88.1Confident86.1Confident52 Ų5239.6 Ų39.627%0.27220%0.195SC..EExtended strand (participates in β ladder)trans-90.4145.2166.3-72171.4000109.4F4 D387 A393 R445F4-L6 HydrophobicContact CD2-CD2 4.21Å; F4-L6 HydrophobicContact CD2-CG 4.11Å; F4-L6 HydrophobicContact CE2-CD1 4.09Å; F4-L6 HydrophobicContact CE2-CD2 3.81Å; F4-L6 HydrophobicContact CE2-CG 3.67Å; L6-D387 CarbonylContact C-O 3.58Å; L6-D387 WeakPolarHBondContact CA-O 3.44Å; L6-D387 HydrophobicContact CD2-CB 4.1Å; L6-A393 HydrophobicContact CD2-CB 4.42Å; L6-R445 HydrophobicContact CB-CB 4.32Å; L6-R445 WeakPolarHBondContact O-CA 3.45Å; L6-R445 PolarHBondContact O-N 2.93Å
7A89.8Confident84.9Confident0 Ų038.1 Ų38.10%019%0.189CC..EExtended strand (participates in β ladder)trans-138.9159.8174.600000112.8D387 L388 V389 L442 K443A7-D387 PolarHBondContact N-O 3.5Å; A7-L388 HydrophobicContact CB-CD2 4.1Å; A7-L388 CarbonylContact O-C 3.5Å; A7-L388 VanDerWaalsContact O-CA 3.31Å; A7-L388 WeakPolarHBondContact O-CA 3Å; A7-V389 PolarHBondContact O-N 2.94Å; A7-L442 HydrophobicContact CB-CD1 3.67Å; A7-L442 HydrophobicContact CB-CG 3.94Å; A7-K443 CarbonylContact C-O 3.54Å; A7-K443 WeakPolarHBondContact CA-O 3.5Å
8E91.2Very high84.2Confident0 Ų036.7 Ų36.70%018%0.182CC..EExtended strand (participates in β ladder)trans-112.6132.4165.9-65.8-176.8145.900108.9H10 G26 Y28 R57 Y59 V389 L442 K443 R445E8-H10 WeakPolarHBondContact CB-NE2 3.46Å; E8-H10 IonicContact OE2-NE2 3.51Å; E8-G26 CarbonylContact C-O 3.54Å; E8-G26 WeakPolarHBondContact CA-O 3.49Å; E8-Y28 HydrophobicContact CB-CD2 4.47Å; E8-Y28 HydrophobicContact CB-CE2 4.2Å; E8-Y28 HydrophobicContact CG-CE2 4.14Å; E8-R57 IonicContact OE1-CZ 2.86Å; E8-R57 IonicContact OE1-NH1 3.11Å; E8-R57 PolarHBondContact OE1-NH1 2.75Å; E8-Y59 PolarHBondContact OE2-OH 2.96Å; E8-V389 HydrophobicContact CG-CG2 3.97Å; E8-L442 WeakPolarHBondContact O-CA 3.16Å; E8-K443 PolarHBondContact N-O 3.13Å; E8-K443 PolarHBondContact O-N 3.03Å; E8-R445 IonicContact OE1-CZ 2.67Å; E8-R445 IonicContact OE1-NE 3.5Å; E8-R445 PolarHBondContact OE1-NE 3.26Å; E8-R445 IonicContact OE1-NH1 2.76Å; E8-R445 IonicContact OE1-NH2 2.7Å; E8-R445 PolarHBondContact OE1-NH2 2.78Å; E8-R445 IonicContact OE2-CZ 2.79Å; E8-R445 VanDerWaalsContact OE2-CZ 3.26Å; E8-R445 IonicContact OE2-NE 2.99Å; E8-R445 PolarHBondContact OE2-NE 2.93Å; E8-R445 VanDerWaalsContact OE2-NE 3.17Å; E8-R445 IonicContact OE2-NH2 3.76Å; E8-R445 PolarHBondContact OE2-NH2 2.82Å
9L92.6Very high83.3Confident0 Ų039.2 Ų39.20%019%0.193CC..EExtended strand (participates in β ladder)trans-98.3116.4176.3177.860.6000109.2L11 G26 T27 Y28 L388 L401 H404 L405 L432 A440 L442L9-L11 HydrophobicContact CD1-CD2 4.2Å; L9-L11 HydrophobicContact CD2-CD2 4.3Å; L9-L11 HydrophobicContact CG-CD2 4.1Å; L9-G26 PolarHBondContact N-O 3.3Å; L9-T27 HydrophobicContact CB-CG2 4.25Å; L9-T27 HydrophobicContact CD2-CG2 3.94Å; L9-T27 HydrophobicContact CG-CG2 4.13Å; L9-T27 CarbonylContact O-C 3.54Å; L9-T27 WeakPolarHBondContact O-CA 3.42Å; L9-Y28 PolarHBondContact O-N 2.9Å; L9-L388 HydrophobicContact CB-CD1 4.02Å; L9-L388 HydrophobicContact CB-CD2 4Å; L9-L388 HydrophobicContact CD2-CD1 4.34Å; L9-L401 HydrophobicContact CD2-CD2 4.26Å; L9-H404 HydrophobicContact CD2-CB 3.92Å; L9-L405 HydrophobicContact CD2-CD2 3.86Å; L9-L432 HydrophobicContact CD1-CD1 4.43Å; L9-A440 HydrophobicContact CD1-CB 4.13Å; L9-L442 HydrophobicContact CB-CD1 4.3Å; L9-L442 HydrophobicContact CD1-CD1 4.38Å
10H92.2Very high82.2Confident1 Ų140.4 Ų40.41%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-109.4108.1178.3-66.7-88.8000110.1E8 Y28 Y59 P115 Q116 A440 A441E8-H10 WeakPolarHBondContact CB-NE2 3.46Å; E8-H10 IonicContact OE2-NE2 3.51Å; H10-Y28 AromaticContact CE1-CD2 3.38Å; H10-Y28 WeakPolarHBondContact CE1-CD2 3.3Å; H10-Y28 AromaticContact CE1-CG 3.86Å; H10-Y28 AromaticContact ND1-CD2 3.72Å; H10-Y28 AromaticContact ND1-CG 3.89Å; H10-Y28 AromaticContact NE2-CD2 3.93Å; H10-Y59 AromaticContact CE1-CE2 3.7Å; H10-Y59 AromaticContact CE1-CZ 3.94Å; H10-P115 VanDerWaalsContact CD2-CB 3.47Å; H10-P115 WeakPolarHBondContact CD2-CB 3.4Å; H10-P115 VanDerWaalsContact CE1-CG 3.46Å; H10-P115 WeakPolarHBondContact CE1-CG 3.21Å; H10-P115 VanDerWaalsContact NE2-CB 3.34Å; H10-P115 WeakPolarHBondContact NE2-CB 3.02Å; H10-P115 WeakPolarHBondContact NE2-CG 3.26Å; H10-Q116 PolarHBondContact ND1-NE2 2.82Å; H10-A440 CarbonylContact O-C 3.26Å; H10-A440 WeakPolarHBondContact O-CA 3.37Å; H10-A441 HydrophobicContact CB-CB 4.38Å; H10-A441 PolarHBondContact N-O 2.99Å; H10-A441 PolarHBondContact O-N 2.94Å
11L92.1Very high81.2Confident2 Ų240.3 Ų40.31%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-84.7112.7173.3-55.1-178.2000108.9L9 S13 L18 T27 Y28 Q29 L405 A440L9-L11 HydrophobicContact CD1-CD2 4.2Å; L9-L11 HydrophobicContact CD2-CD2 4.3Å; L9-L11 HydrophobicContact CG-CD2 4.1Å; L11-S13 PolarHBondContact O-N 2.86Å; L11-L18 HydrophobicContact CD1-CB 4.34Å; L11-L18 HydrophobicContact CD1-CD1 4.34Å; L11-T27 HydrophobicContact CD1-CG2 4.4Å; L11-Y28 PolarHBondContact N-O 3Å; L11-Q29 HydrophobicContact CB-CB 4.29Å; L11-Q29 HydrophobicContact CB-CG 4.33Å; L11-L405 HydrophobicContact CD1-CB 4.36Å; L11-L405 HydrophobicContact CD2-CB 4.44Å; L11-L405 HydrophobicContact CD2-CD2 4.34Å; L11-A440 HydrophobicContact CD2-CB 3.73Å
12W91.6Very high80.7Confident6 Ų637.8 Ų37.82%0.02320%0.201CC..EExtended strand (participates in β ladder)trans-82.468.8175.2-65.2-12.8000109.5V110 L112 P115 L117 L439 A441W12-V110 HydrophobicContact CE3-CG1 4.4Å; W12-V110 HydrophobicContact CZ3-CG1 4.21Å; W12-L112 HydrophobicContact CH2-CD1 3.76Å; W12-L112 HydrophobicContact CH2-CD2 3.89Å; W12-L112 HydrophobicContact CH2-CG 4.38Å; W12-L112 HydrophobicContact CZ2-CD1 3.66Å; W12-L112 HydrophobicContact CZ2-CD2 3.47Å; W12-L112 VanDerWaalsContact CZ2-CD2 3.47Å; W12-L112 HydrophobicContact CZ2-CG 4.22Å; W12-P115 PolarHBondContact NE1-O 2.96Å; W12-L117 HydrophobicContact CB-CD1 3.95Å; W12-L117 HydrophobicContact CB-CD2 4.32Å; W12-L117 HydrophobicContact CB-CG 4.27Å; W12-L117 HydrophobicContact CD2-CD2 3.69Å; W12-L117 HydrophobicContact CD2-CG 4.3Å; W12-L117 HydrophobicContact CE3-CD2 4.08Å; W12-L117 HydrophobicContact CG-CD1 4.11Å; W12-L117 HydrophobicContact CG-CD2 3.77Å; W12-L117 HydrophobicContact CG-CG 3.88Å; W12-L439 HydrophobicContact CB-CB 4.29Å; W12-L439 WeakPolarHBondContact CB-O 3.28Å; W12-L439 HydrophobicContact CE3-CB 3.83Å; W12-L439 HydrophobicContact CE3-CD1 4.33Å; W12-L439 PolarHBondContact N-O 3.06Å; W12-A441 HydrophobicContact CH2-CB 4.15Å; W12-A441 HydrophobicContact CZ2-CB 3.56Å
13S88.4Confident80Confident1 Ų136.2 Ų36.21%0.00720%0.198CC..  trans-155.9152.7-177.8178.10000112.6L11 K15 Q29 Y30 E79 P438L11-S13 PolarHBondContact O-N 2.86Å; S13-K15 PolarHBondContact OG-N 3.32Å; S13-K15 VanDerWaalsContact OG-N 3.07Å; S13-Q29 WeakPolarHBondContact O-CG 3.48Å; S13-Q29 PolarHBondContact O-NE2 3.18Å; S13-Y30 WeakPolarHBondContact O-CB 3.45Å; S13-Y30 PolarHBondContact O-N 3.24Å; S13-E79 WeakPolarHBondContact CA-OE1 3.26Å; S13-E79 WeakPolarHBondContact CB-OE1 3.43Å; S13-E79 PolarHBondContact OG-OE1 3.01Å; S13-P438 VanDerWaalsContact CB-CB 3.47Å
14T85.8Confident79.4Confident26 Ų2636.9 Ų36.916%0.1620%0.201CC..  trans-102.8-5.4169.350.20000114.1Y30 P63 L75 E79T14-Y30 WeakPolarHBondContact CA-O 3.45Å; T14-P63 HydrophobicContact CG2-CG 4.09Å; T14-L75 HydrophobicContact CG2-CD2 3.92Å; T14-E79 PolarHBondContact N-OE1 3.31Å; T14-E79 PolarHBondContact OG1-OE2 3.48Å
15K81.4Confident79.2Confident69 Ų6936.5 Ų36.530%0.320%0.201SC..SBendtrans-73.8150.7177.7-68.9175.6179.6173.30110.1S13 S17 Q29 E79S13-K15 PolarHBondContact OG-N 3.32Å; S13-K15 VanDerWaalsContact OG-N 3.07Å; K15-S17 PolarHBondContact O-N 3.2Å; K15-S17 PolarHBondContact O-OG 2.7Å; K15-Q29 VanDerWaalsContact O-CD 3.25Å; K15-Q29 PolarHBondContact O-NE2 3.24Å; K15-Q29 PolarHBondContact O-OE1 3.49Å; K15-E79 WeakPolarHBondContact CE-OE2 3.37Å
16N69.4Low79.1Confident139 Ų13936.4 Ų36.474%0.74320%0.201SC*.SBendtrans-74.576.5178.4-162.417.2000111
17S65.9Low79.2Confident13 Ų1334.2 Ų34.29%0.09119%0.189CC..  trans-101.2-9.5-174.8-52.40000111.9K15 L405 N406K15-S17 PolarHBondContact O-N 3.2Å; K15-S17 PolarHBondContact O-OG 2.7Å; S17-L405 CarbonylContact O-C 3.52Å; S17-L405 VanDerWaalsContact O-CA 3.28Å; S17-L405 WeakPolarHBondContact O-CA 3.44Å; S17-N406 PolarHBondContact O-N 3.05Å
18L72.1Confident79.1Confident13 Ų1335 Ų357%0.06819%0.192CC..BIsolated β-bridgetrans-89.9129.8-172.3-164.4148.2000111.2L11 M20 T27 Q29 H404L11-L18 HydrophobicContact CD1-CB 4.34Å; L11-L18 HydrophobicContact CD1-CD1 4.34Å; L18-M20 HydrophobicContact CD2-CB 4.23Å; L18-M20 HydrophobicContact CD2-CG 3.21Å; L18-M20 HydrophobicContact CD2-SD 4.44Å; L18-T27 HydrophobicContact CD1-CG2 3.51Å; L18-T27 HydrophobicContact CG-CG2 4.04Å; L18-Q29 VanDerWaalsContact CB-OE1 3.29Å; L18-Q29 HydrophobicContact CD1-CB 3.86Å; L18-H404 WeakPolarHBondContact CA-O 3.4Å
19Q67.1Low79Confident85 Ų8535.4 Ų35.440%0.39719%0.194SC..  trans-93.4115.9167.1-67.5-167.77.800108.1T402 Q403 H404 N406Q19-T402 PolarHBondContact OE1-O 3.43Å; Q19-Q403 WeakPolarHBondContact CB-O 3.34Å; Q19-H404 PolarHBondContact N-O 3.3Å; Q19-N406 HydrophobicContact CG-CB 4.2Å
20M61.1Low78.7Confident62 Ų6235.7 Ų35.731%0.30520%0.195SC..  trans-89.1116.4-177-75.5-174-81.700110.7L18 I43 L47L18-M20 HydrophobicContact CD2-CB 4.23Å; L18-M20 HydrophobicContact CD2-CG 3.21Å; L18-M20 HydrophobicContact CD2-SD 4.44Å; M20-I43 HydrophobicContact CE-CG2 3.2Å; M20-I43 HydrophobicContact SD-CG2 4.23Å; M20-L47 HydrophobicContact CE-CD1 4.05Å; M20-L47 HydrophobicContact CE-CD2 3.83Å; M20-L47 HydrophobicContact CE-CG 3.88Å; M20-L47 HydrophobicContact SD-CD2 3.45Å; M20-L47 WeakPolarHBondContact SD-CD2 3.48Å; M20-L47 HydrophobicContact SD-CG 3.71Å
21G61.8Low78.2Confident39 Ų3937.9 Ų37.940%0.40220%0.204SC..  trans-89.4152.7157.400000110.9T23 D24G21-T23 PolarHBondContact O-N 3.43Å; G21-D24 PolarHBondContact O-N 3.09Å
22D60.1Low77.4Confident131 Ų13140 Ų4070%0.70122%0.215SC*.THydrogen-bonded Turntrans-64.8-21.5-175.3-68.8-34000114.1N46D22-N46 PolarHBondContact OD1-ND2 3.35Å
23T67.8Low76.1Confident78 Ų7847.5 Ų47.548%0.47925%0.248SC..THydrogen-bonded Turntrans-106.7-0.3-175.756.10000114.7G21 I25 A390 E391G21-T23 PolarHBondContact O-N 3.43Å; T23-I25 PolarHBondContact O-N 3.4Å; T23-A390 WeakPolarHBondContact O-CB 3.47Å; T23-E391 PolarHBondContact O-N 3.01Å
24D75.7Confident74.6Confident13 Ų1350.8 Ų50.87%0.0728%0.282CS..BIsolated β-bridgetrans-76.8116.8-173.117030.4000111.8G21 G26 T27 K50G21-D24 PolarHBondContact O-N 3.09Å; D24-G26 PolarHBondContact OD1-N 3.4Å; D24-T27 PolarHBondContact OD1-N 3.17Å; D24-T27 PolarHBondContact OD1-OG1 3.37Å; D24-T27 WeakPolarHBondContact OD2-CB 3.07Å; D24-T27 PolarHBondContact OD2-OG1 3.11Å; D24-T27 VanDerWaalsContact OD2-OG1 3.08Å; D24-K50 WeakPolarHBondContact O-CE 3.39Å; D24-K50 IonicContact OD2-NZ 3.69Å; D24-K50 PolarHBondContact OD2-NZ 2.93Å
25I82.2Confident72.6Confident35 Ų3557.8 Ų57.818%0.17931%0.313CS..  trans-108.9-17.6172.4-65174.7000111.5T23 Y28 T53 R57 V389 E391T23-I25 PolarHBondContact O-N 3.4Å; I25-Y28 VanDerWaalsContact O-CZ 3.25Å; I25-Y28 PolarHBondContact O-OH 3.06Å; I25-T53 HydrophobicContact CG2-CG2 3.87Å; I25-R57 VanDerWaalsContact CG2-NH2 3.33Å; I25-V389 CarbonylContact C-O 3.48Å; I25-V389 VanDerWaalsContact C-O 3.26Å; I25-V389 WeakPolarHBondContact CA-O 3.28Å; I25-V389 HydrophobicContact CB-CG1 4.48Å; I25-V389 WeakPolarHBondContact CB-O 3.48Å; I25-V389 HydrophobicContact CG2-CG1 4.22Å; I25-V389 PolarHBondContact N-O 3.37Å; I25-E391 HydrophobicContact CD1-CB 4.33Å; I25-E391 HydrophobicContact CD1-CG 3.32Å; I25-E391 HydrophobicContact CG1-CG 4.17Å
26G85.3Confident70.9Confident0 Ų059.7 Ų59.70%033%0.332CS..SBendtrans-91.2-14.1-162.700000113E8 L9 D24 Y28 V389E8-G26 CarbonylContact C-O 3.54Å; E8-G26 WeakPolarHBondContact CA-O 3.49Å; L9-G26 PolarHBondContact N-O 3.3Å; D24-G26 PolarHBondContact OD1-N 3.4Å; G26-Y28 WeakPolarHBondContact O-CD2 3.49Å; G26-Y28 WeakPolarHBondContact O-CE2 3.44Å; G26-V389 WeakPolarHBondContact CA-O 3.44Å; G26-V389 PolarHBondContact N-O 3.32Å
27T88.9Confident69.7Low5 Ų554.8 Ų54.83%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-98.1124.7-179.5-44.50000111.9L9 L11 L18 D24 H404L9-T27 HydrophobicContact CB-CG2 4.25Å; L9-T27 HydrophobicContact CD2-CG2 3.94Å; L9-T27 HydrophobicContact CG-CG2 4.13Å; L9-T27 CarbonylContact O-C 3.54Å; L9-T27 WeakPolarHBondContact O-CA 3.42Å; L11-T27 HydrophobicContact CD1-CG2 4.4Å; L18-T27 HydrophobicContact CD1-CG2 3.51Å; L18-T27 HydrophobicContact CG-CG2 4.04Å; D24-T27 PolarHBondContact OD1-N 3.17Å; D24-T27 PolarHBondContact OD1-OG1 3.37Å; D24-T27 WeakPolarHBondContact OD2-CB 3.07Å; D24-T27 PolarHBondContact OD2-OG1 3.11Å; D24-T27 VanDerWaalsContact OD2-OG1 3.08Å; T27-H404 HydrophobicContact CG2-CB 4.43Å
28Y87.9Confident68.6Low17 Ų1761.1 Ų61.17%0.06736%0.355CS..EExtended strand (participates in β ladder)trans-120.8136.6-177.5-62.1-81.5000111.3E8 L9 H10 L11 I25 G26 A54 R57 Y59E8-Y28 HydrophobicContact CB-CD2 4.47Å; E8-Y28 HydrophobicContact CB-CE2 4.2Å; E8-Y28 HydrophobicContact CG-CE2 4.14Å; L9-Y28 PolarHBondContact O-N 2.9Å; H10-Y28 AromaticContact CE1-CD2 3.38Å; H10-Y28 WeakPolarHBondContact CE1-CD2 3.3Å; H10-Y28 AromaticContact CE1-CG 3.86Å; H10-Y28 AromaticContact ND1-CD2 3.72Å; H10-Y28 AromaticContact ND1-CG 3.89Å; H10-Y28 AromaticContact NE2-CD2 3.93Å; L11-Y28 PolarHBondContact N-O 3Å; I25-Y28 VanDerWaalsContact O-CZ 3.25Å; I25-Y28 PolarHBondContact O-OH 3.06Å; G26-Y28 WeakPolarHBondContact O-CD2 3.49Å; G26-Y28 WeakPolarHBondContact O-CE2 3.44Å; Y28-A54 HydrophobicContact CD1-CB 4.15Å; Y28-A54 HydrophobicContact CE1-CB 4Å; Y28-R57 VanDerWaalsContact OH-CD 3.31Å; Y28-R57 WeakPolarHBondContact OH-CD 3.19Å; Y28-R57 PolarHBondContact OH-NH1 3.07Å; Y28-Y59 AromaticContact CD1-CD2 3.76Å; Y28-Y59 HydrophobicContact CD1-CD2 3.76Å; Y28-Y59 HydrophobicContact CD1-CE2 4.38Å; Y28-Y59 HydrophobicContact CD2-CD2 4.36Å; Y28-Y59 HydrophobicContact CD2-CE2 4.23Å; Y28-Y59 AromaticContact CE1-CD2 3.53Å; Y28-Y59 HydrophobicContact CE1-CD2 3.53Å; Y28-Y59 AromaticContact CE1-CE2 3.97Å; Y28-Y59 HydrophobicContact CE1-CE2 3.97Å; Y28-Y59 HydrophobicContact CE2-CD2 4.17Å; Y28-Y59 AromaticContact CE2-CE2 3.81Å; Y28-Y59 HydrophobicContact CE2-CE2 3.81Å; Y28-Y59 HydrophobicContact CG-CD2 4.17Å; Y28-Y59 HydrophobicContact CG-CE2 4.5Å; Y28-Y59 AromaticContact CZ-CD2 3.76Å; Y28-Y59 AromaticContact CZ-CE2 3.67Å
29Q88.7Confident67.6Low9 Ų963.7 Ų63.74%0.04237%0.368CS..EExtended strand (participates in β ladder)trans-141.6157.1175-175.8164.340.300110.6L11 S13 K15 L18 Y31L11-Q29 HydrophobicContact CB-CB 4.29Å; L11-Q29 HydrophobicContact CB-CG 4.33Å; S13-Q29 WeakPolarHBondContact O-CG 3.48Å; S13-Q29 PolarHBondContact O-NE2 3.18Å; K15-Q29 VanDerWaalsContact O-CD 3.25Å; K15-Q29 PolarHBondContact O-NE2 3.24Å; K15-Q29 PolarHBondContact O-OE1 3.49Å; L18-Q29 VanDerWaalsContact CB-OE1 3.29Å; L18-Q29 HydrophobicContact CD1-CB 3.86Å; Q29-Y31 HydrophobicContact CB-CE2 4.32Å; Q29-Y31 WeakPolarHBondContact O-CD2 3.38Å; Q29-Y31 WeakPolarHBondContact O-CE2 3.23Å
30Y87.1Confident67Low6 Ų662.5 Ų62.52%0.02437%0.373CS..  trans-85.6143.4173.2-62.7-62.1000112S13 T14 S60 L75 L117S13-Y30 WeakPolarHBondContact O-CB 3.45Å; S13-Y30 PolarHBondContact O-N 3.24Å; T14-Y30 WeakPolarHBondContact CA-O 3.45Å; Y30-S60 VanDerWaalsContact CD1-O 3.29Å; Y30-S60 WeakPolarHBondContact CD1-O 3.48Å; Y30-S60 VanDerWaalsContact CE1-O 3.32Å; Y30-S60 WeakPolarHBondContact CE1-O 3.39Å; Y30-L75 HydrophobicContact CD2-CD2 3.82Å; Y30-L75 HydrophobicContact CE2-CD2 4.46Å; Y30-L117 HydrophobicContact CD2-CD1 4.34Å; Y30-L117 HydrophobicContact CE2-CB 4.26Å; Y30-L117 HydrophobicContact CE2-CD1 3.57Å; Y30-L117 HydrophobicContact CE2-CG 3.85Å; Y30-L117 PolarHBondContact OH-N 2.89Å
31Y82.3Confident66.6Low46 Ų4666.4 Ų66.418%0.1839%0.394CS..  trans-122.6148.3177.6-65.1-94000111.8Q29 L47 W61 T62 P63Q29-Y31 HydrophobicContact CB-CE2 4.32Å; Q29-Y31 WeakPolarHBondContact O-CD2 3.38Å; Q29-Y31 WeakPolarHBondContact O-CE2 3.23Å; Y31-L47 HydrophobicContact CE1-CD2 4.09Å; Y31-W61 AromaticContact CD2-CD2 3.82Å; Y31-W61 HydrophobicContact CD2-CD2 3.82Å; Y31-W61 AromaticContact CD2-CE2 3.24Å; Y31-W61 HydrophobicContact CD2-CE3 4.33Å; Y31-W61 HydrophobicContact CD2-CG 4.38Å; Y31-W61 AromaticContact CD2-CH2 3.93Å; Y31-W61 HydrophobicContact CD2-CH2 3.93Å; Y31-W61 AromaticContact CD2-CZ2 3.33Å; Y31-W61 HydrophobicContact CD2-CZ2 3.33Å; Y31-W61 HydrophobicContact CD2-CZ3 4.38Å; Y31-W61 AromaticContact CD2-NE1 3.46Å; Y31-W61 HydrophobicContact CE1-CZ2 4.48Å; Y31-W61 HydrophobicContact CE2-CD2 4.28Å; Y31-W61 AromaticContact CE2-CE2 3.69Å; Y31-W61 HydrophobicContact CE2-CE3 4.39Å; Y31-W61 AromaticContact CE2-CH2 3.44Å; Y31-W61 HydrophobicContact CE2-CH2 3.44Å; Y31-W61 VanDerWaalsContact CE2-CH2 3.44Å; Y31-W61 AromaticContact CE2-CZ2 3.25Å; Y31-W61 HydrophobicContact CE2-CZ2 3.25Å; Y31-W61 HydrophobicContact CE2-CZ3 4.01Å; Y31-W61 AromaticContact CG-CE2 3.87Å; Y31-W61 HydrophobicContact CG-CZ2 4.01Å; Y31-W61 AromaticContact CG-NE1 3.64Å; Y31-W61 AromaticContact CZ-CZ2 3.88Å; Y31-W61 PolarHBondContact N-O 3Å; Y31-T62 WeakPolarHBondContact O-CA 3.28Å; Y31-T62 WeakPolarHBondContact O-CG2 3.45Å; Y31-P63 WeakPolarHBondContact O-CD 3.45Å
32D74.3Confident66.2Low46 Ų4671.7 Ų71.725%0.24641%0.409CS..  trans-85.5149.3178.1-133.3-23.9000112.1G34 R72 K76D32-G34 PolarHBondContact O-N 3.39Å; D32-R72 WeakPolarHBondContact OD1-CD 3.44Å; D32-R72 IonicContact OD1-CZ 2.81Å; D32-R72 IonicContact OD1-NE 3.7Å; D32-R72 IonicContact OD1-NH1 3.64Å; D32-R72 PolarHBondContact OD1-NH1 2.9Å; D32-K76 VanDerWaalsContact OD2-CE 3.28Å; D32-K76 WeakPolarHBondContact OD2-CE 3.31Å; D32-K76 IonicContact OD2-NZ 3.22Å; D32-K76 PolarHBondContact OD2-NZ 2.98Å
33K65.5Low66.3Low165 Ų16568.8 Ų68.872%0.71739%0.392SS*.THydrogen-bonded Turntrans-78.7103.9176.8-75.1-172.7178.9-1740109.4T62K33-T62 HydrophobicContact CG-CG2 3.96Å
34G56.2Low66.1Low70 Ų7069.4 Ų69.472%0.72239%0.389SS*.THydrogen-bonded Turntrans131.82.1167.800000116.7D32 P36D32-G34 PolarHBondContact O-N 3.39Å; G34-P36 WeakPolarHBondContact O-CD 3.48Å
35E44.1Very low65.4Low172 Ų17273.1 Ų73.180%0.80441%0.408SS*.  trans-10196.2171.1-72.4-170.8170.500111.2G37E35-G37 VanDerWaalsContact C-N 3.33Å
36P45.8Very low64.8Low110 Ų11073.8 Ų73.871%0.71441%0.412SS*.  trans-84.288.2141.532-21.1000106.1G34G34-P36 WeakPolarHBondContact O-CD 3.48Å
37G44.1Very low64.3Low35 Ų3574.7 Ų74.736%0.36142%0.417SS..  trans-56.7158.4156.400000108.9E35 I39E35-G37 VanDerWaalsContact C-N 3.33Å; G37-I39 WeakPolarHBondContact O-CG1 3.26Å; G37-I39 PolarHBondContact O-N 3.1Å
38P42.8Very low63.6Low146 Ų14678.4 Ų78.495%0.94843%0.434SS*.  trans-69.480.7179.230.5-32.1000108.5
39I50.7Low63Low67 Ų6781 Ų8134%0.34445%0.451SS..  trans-91.5124.3-177.1-69169.8000105.6G37 L41 I43 F44 L47G37-I39 WeakPolarHBondContact O-CG1 3.26Å; G37-I39 PolarHBondContact O-N 3.1Å; I39-L41 PolarHBondContact O-N 3.49Å; I39-I43 HydrophobicContact CG2-CB 3.31Å; I39-I43 HydrophobicContact CG2-CG1 4.49Å; I39-I43 HydrophobicContact CG2-CG2 3.28Å; I39-F44 HydrophobicContact CG2-CB 4.25Å; I39-L47 HydrophobicContact CD1-CD1 3.83Å; I39-L47 HydrophobicContact CG2-CD1 4.41Å
40A54.3Low62.5Low60 Ų6081.7 Ų81.750%0.49646%0.455SS..  trans-48.7139.7173.200000109.8E42 I43 F44A40-E42 PolarHBondContact O-N 3.42Å; A40-I43 HydrophobicContact CB-CD1 4.26Å; A40-I43 PolarHBondContact O-N 3.26Å; A40-F44 PolarHBondContact O-N 3.05Å
41L53.3Low62.3Low145 Ų14583 Ų8376%0.75946%0.462SS*.Hα-helixtrans-47.7-37.7-172.8-77.2157.9000113.4I39 F44 D45I39-L41 PolarHBondContact O-N 3.49Å; L41-F44 WeakPolarHBondContact O-CB 3.46Å; L41-F44 PolarHBondContact O-N 3.29Å; L41-D45 PolarHBondContact O-N 3.17Å; L41-D45 VanDerWaalsContact O-N 3.11Å
42E53.2Low62.2Low150 Ų15087.4 Ų87.470%0.70148%0.482SS*.Hα-helixtrans-63.4-44.6177.3-67.1174.3171.600113.1A40 F44 D45 N46A40-E42 PolarHBondContact O-N 3.42Å; E42-F44 VanDerWaalsContact C-N 3.27Å; E42-F44 PolarHBondContact O-N 2.97Å; E42-D45 PolarHBondContact O-N 3.32Å; E42-N46 PolarHBondContact O-N 3.11Å; E42-N46 VanDerWaalsContact O-N 3.09Å
43I61.3Low62.6Low69 Ų6987.1 Ų87.135%0.35448%0.482SS..Hα-helixtrans-68.1-32.2178.4-59.4170.8000110.4M20 I39 A40 L47M20-I43 HydrophobicContact CE-CG2 3.2Å; M20-I43 HydrophobicContact SD-CG2 4.23Å; I39-I43 HydrophobicContact CG2-CB 3.31Å; I39-I43 HydrophobicContact CG2-CG1 4.49Å; I39-I43 HydrophobicContact CG2-CG2 3.28Å; A40-I43 HydrophobicContact CB-CD1 4.26Å; A40-I43 PolarHBondContact O-N 3.26Å; I43-L47 HydrophobicContact CG2-CD1 4.22Å; I43-L47 WeakPolarHBondContact O-CB 3.32Å; I43-L47 VanDerWaalsContact O-CG 3.26Å; I43-L47 WeakPolarHBondContact O-CG 3.29Å; I43-L47 PolarHBondContact O-N 2.99Å
44F63.6Low63.4Low92 Ų9279.3 Ų79.340%0.40445%0.449SS..Hα-helixtrans-67.7-42.3176.9-179.1-101.5000112.3I39 A40 L41 E42 L47 Q48I39-F44 HydrophobicContact CG2-CB 4.25Å; A40-F44 PolarHBondContact O-N 3.05Å; L41-F44 WeakPolarHBondContact O-CB 3.46Å; L41-F44 PolarHBondContact O-N 3.29Å; E42-F44 VanDerWaalsContact C-N 3.27Å; E42-F44 PolarHBondContact O-N 2.97Å; F44-L47 PolarHBondContact O-N 3.45Å; F44-Q48 HydrophobicContact CE1-CG 4.42Å; F44-Q48 VanDerWaalsContact CZ-NE2 3.25Å; F44-Q48 PolarHBondContact O-N 3.34Å
45D62.3Low64.7Low91 Ų9182.2 Ų82.249%0.48744%0.441SS..Hα-helixtrans-66.2-42176.1-75.3-17.7000111.6L41 E42 L47 Q48 T49L41-D45 PolarHBondContact O-N 3.17Å; L41-D45 VanDerWaalsContact O-N 3.11Å; E42-D45 PolarHBondContact O-N 3.32Å; D45-L47 VanDerWaalsContact C-N 3.35Å; D45-L47 PolarHBondContact O-N 2.81Å; D45-Q48 PolarHBondContact O-N 2.93Å; D45-T49 PolarHBondContact O-N 2.92Å; D45-T49 PolarHBondContact O-OG1 3.41Å
46N69.3Low66.7Low48 Ų4878.3 Ų78.326%0.25744%0.438SS..Hα-helixtrans-59.8-43.1174.2-73.7-12.7000112D22 E42 Q48 T49 K50D22-N46 PolarHBondContact OD1-ND2 3.35Å; E42-N46 PolarHBondContact O-N 3.11Å; E42-N46 VanDerWaalsContact O-N 3.09Å; N46-Q48 PolarHBondContact O-N 3.16Å; N46-T49 PolarHBondContact O-N 3.11Å; N46-K50 PolarHBondContact O-N 3.32Å
47L73.8Confident68.4Low19 Ų1977 Ų7710%0.09942%0.419CS..Hα-helixtrans-63.9-38.4175.8-77.5170.2000112.7M20 Y31 I39 I43 F44 D45 N51 W61M20-L47 HydrophobicContact CE-CD1 4.05Å; M20-L47 HydrophobicContact CE-CD2 3.83Å; M20-L47 HydrophobicContact CE-CG 3.88Å; M20-L47 HydrophobicContact SD-CD2 3.45Å; M20-L47 WeakPolarHBondContact SD-CD2 3.48Å; M20-L47 HydrophobicContact SD-CG 3.71Å; Y31-L47 HydrophobicContact CE1-CD2 4.09Å; I39-L47 HydrophobicContact CD1-CD1 3.83Å; I39-L47 HydrophobicContact CG2-CD1 4.41Å; I43-L47 HydrophobicContact CG2-CD1 4.22Å; I43-L47 WeakPolarHBondContact O-CB 3.32Å; I43-L47 VanDerWaalsContact O-CG 3.26Å; I43-L47 WeakPolarHBondContact O-CG 3.29Å; I43-L47 PolarHBondContact O-N 2.99Å; F44-L47 PolarHBondContact O-N 3.45Å; D45-L47 VanDerWaalsContact C-N 3.35Å; D45-L47 PolarHBondContact O-N 2.81Å; L47-N51 VanDerWaalsContact O-CB 3.3Å; L47-N51 WeakPolarHBondContact O-CB 3.4Å; L47-N51 PolarHBondContact O-N 2.9Å; L47-W61 HydrophobicContact CD2-CH2 4.17Å; L47-W61 HydrophobicContact CD2-CZ2 4.11Å
48Q74.3Confident70.3Confident83 Ų8378.5 Ų78.539%0.38843%0.434SS..Hα-helixtrans-65.1-42.8175.2-74.9-161.621.900112F44 D45 N46 N51 K52F44-Q48 HydrophobicContact CE1-CG 4.42Å; F44-Q48 VanDerWaalsContact CZ-NE2 3.25Å; F44-Q48 PolarHBondContact O-N 3.34Å; D45-Q48 PolarHBondContact O-N 2.93Å; N46-Q48 PolarHBondContact O-N 3.16Å; Q48-N51 PolarHBondContact O-N 2.97Å; Q48-K52 WeakPolarHBondContact O-CG 3.17Å; Q48-K52 PolarHBondContact O-N 2.94Å
49T76Confident72.5Confident71 Ų7172.7 Ų72.744%0.43639%0.394SS..Hα-helixtrans-63-47.9177.1-600000110.6D45 N46 N51 K52 T53D45-T49 PolarHBondContact O-N 2.92Å; D45-T49 PolarHBondContact O-OG1 3.41Å; N46-T49 PolarHBondContact O-N 3.11Å; T49-N51 VanDerWaalsContact C-N 3.31Å; T49-N51 PolarHBondContact O-N 3.45Å; T49-K52 PolarHBondContact O-N 3.16Å; T49-K52 VanDerWaalsContact O-N 3.16Å; T49-T53 PolarHBondContact O-N 3.47Å; T49-T53 PolarHBondContact O-OG1 3.49Å; T49-T53 VanDerWaalsContact O-OG1 3.11Å
50K79Confident74.1Confident25 Ų2571.6 Ų71.611%0.10939%0.392CS..Hα-helixtrans-56-42.4172.6-82.7-170.4165.7-172.30112.8D24 N46 T53 A54 W61D24-K50 WeakPolarHBondContact O-CE 3.39Å; D24-K50 IonicContact OD2-NZ 3.69Å; D24-K50 PolarHBondContact OD2-NZ 2.93Å; N46-K50 PolarHBondContact O-N 3.32Å; K50-T53 PolarHBondContact O-N 3.17Å; K50-A54 VanDerWaalsContact O-CB 3.26Å; K50-A54 WeakPolarHBondContact O-CB 3.2Å; K50-A54 PolarHBondContact O-N 3.2Å; K50-W61 HydrophobicContact CB-CH2 3.88Å; K50-W61 HydrophobicContact CB-CZ3 3.96Å
51N81.4Confident75.4Confident33 Ų3370.5 Ų70.518%0.17638%0.375CS..Hα-helixtrans-63.7-43.1177.6-172.3-14.5000112.1L47 Q48 T49 K55 W61L47-N51 VanDerWaalsContact O-CB 3.3Å; L47-N51 WeakPolarHBondContact O-CB 3.4Å; L47-N51 PolarHBondContact O-N 2.9Å; Q48-N51 PolarHBondContact O-N 2.97Å; T49-N51 VanDerWaalsContact C-N 3.31Å; T49-N51 PolarHBondContact O-N 3.45Å; N51-K55 WeakPolarHBondContact O-CB 3.39Å; N51-K55 WeakPolarHBondContact O-CG 3.34Å; N51-K55 PolarHBondContact O-N 2.84Å; N51-K55 WeakPolarHBondContact OD1-CD 3.49Å; N51-K55 WeakPolarHBondContact OD1-CE 3.47Å; N51-K55 PolarHBondContact OD1-NZ 3.48Å; N51-W61 HydrophobicContact CB-CD2 3.77Å; N51-W61 HydrophobicContact CB-CE3 3.84Å; N51-W61 HydrophobicContact CB-CG 4.37Å; N51-W61 HydrophobicContact CB-CH2 4.1Å; N51-W61 HydrophobicContact CB-CZ2 4.05Å; N51-W61 HydrophobicContact CB-CZ3 4.01Å
52K81.3Confident76.9Confident138 Ų13865.6 Ų65.660%0.635%0.351SS*.Hα-helixtrans-61.3-46.4174.5-71.5172.1-174.3168.90111Q48 T49 K55 A56Q48-K52 WeakPolarHBondContact O-CG 3.17Å; Q48-K52 PolarHBondContact O-N 2.94Å; T49-K52 PolarHBondContact O-N 3.16Å; T49-K52 VanDerWaalsContact O-N 3.16Å; K52-K55 PolarHBondContact O-N 2.87Å; K52-A56 WeakPolarHBondContact O-CB 3.4Å; K52-A56 PolarHBondContact O-N 3.02Å
53T81.6Confident78.4Confident40 Ų4058.9 Ų58.925%0.24532%0.32CS..Hα-helixtrans-64.7-44.4179.3-56.80000112.2I25 T49 K50 K55 A56 R57I25-T53 HydrophobicContact CG2-CG2 3.87Å; T49-T53 PolarHBondContact O-N 3.47Å; T49-T53 PolarHBondContact O-OG1 3.49Å; T49-T53 VanDerWaalsContact O-OG1 3.11Å; K50-T53 PolarHBondContact O-N 3.17Å; T53-K55 PolarHBondContact O-N 3.5Å; T53-A56 PolarHBondContact O-N 3.48Å; T53-R57 WeakPolarHBondContact O-CG 2.77Å; T53-R57 PolarHBondContact O-N 2.69Å
54A82.8Confident79.3Confident2 Ų262.9 Ų62.92%0.01734%0.335CS..Hα-helixtrans-59-46175.200000111.3Y28 K50 A56 R57 G58 Y59 W61Y28-A54 HydrophobicContact CD1-CB 4.15Å; Y28-A54 HydrophobicContact CE1-CB 4Å; K50-A54 VanDerWaalsContact O-CB 3.26Å; K50-A54 WeakPolarHBondContact O-CB 3.2Å; K50-A54 PolarHBondContact O-N 3.2Å; A54-A56 PolarHBondContact O-N 2.99Å; A54-R57 CarbonylContact O-C 3.56Å; A54-R57 PolarHBondContact O-N 2.65Å; A54-G58 PolarHBondContact O-N 2.55Å; A54-Y59 WeakPolarHBondContact O-CB 3.07Å; A54-Y59 PolarHBondContact O-N 3.02Å; A54-W61 HydrophobicContact CB-CE3 4.07Å; A54-W61 HydrophobicContact CB-CZ3 4.43Å
55K84.4Confident80Confident130 Ų13061.1 Ų61.157%0.56533%0.33SS*.Hα-helixtrans-63.9-39.6176.1-77.3172.4176.4155.50112.9N51 K52 T53 R57 G58N51-K55 WeakPolarHBondContact O-CB 3.39Å; N51-K55 WeakPolarHBondContact O-CG 3.34Å; N51-K55 PolarHBondContact O-N 2.84Å; N51-K55 WeakPolarHBondContact OD1-CD 3.49Å; N51-K55 WeakPolarHBondContact OD1-CE 3.47Å; N51-K55 PolarHBondContact OD1-NZ 3.48Å; K52-K55 PolarHBondContact O-N 2.87Å; T53-K55 PolarHBondContact O-N 3.5Å; K55-R57 PolarHBondContact O-N 3.5Å; K55-G58 PolarHBondContact O-N 3.34Å
56A84.8Confident80.5Confident90 Ų9066.6 Ų66.674%0.74434%0.344SS*.Hα-helixtrans-62.2-33.9175.600000111.9K52 T53 A54 G58K52-A56 WeakPolarHBondContact O-CB 3.4Å; K52-A56 PolarHBondContact O-N 3.02Å; T53-A56 PolarHBondContact O-N 3.48Å; A54-A56 PolarHBondContact O-N 2.99Å; A56-G58 VanDerWaalsContact C-N 3.26Å; A56-G58 PolarHBondContact O-N 3.42Å
57R83.1Confident80Confident84 Ų8474.6 Ų74.632%0.31737%0.37SS..THydrogen-bonded Turntrans-81.40.8172.9-66-178.2-176.8-171.18.3113.9E8 I25 Y28 T53 A54 K55 Y59E8-R57 IonicContact OE1-CZ 2.86Å; E8-R57 IonicContact OE1-NH1 3.11Å; E8-R57 PolarHBondContact OE1-NH1 2.75Å; I25-R57 VanDerWaalsContact CG2-NH2 3.33Å; Y28-R57 VanDerWaalsContact OH-CD 3.31Å; Y28-R57 WeakPolarHBondContact OH-CD 3.19Å; Y28-R57 PolarHBondContact OH-NH1 3.07Å; T53-R57 WeakPolarHBondContact O-CG 2.77Å; T53-R57 PolarHBondContact O-N 2.69Å; A54-R57 CarbonylContact O-C 3.56Å; A54-R57 PolarHBondContact O-N 2.65Å; K55-R57 PolarHBondContact O-N 3.5Å; R57-Y59 VanDerWaalsContact C-N 3.31Å; R57-Y59 HydrophobicContact CB-CD2 3.97Å; R57-Y59 HydrophobicContact CB-CE2 3.97Å; R57-Y59 HydrophobicContact CB-CG 4.28Å; R57-Y59 PolarHBondContact O-N 3.24Å
58G83.5Confident79.4Confident65 Ų6578.7 Ų78.767%0.6740%0.398SS*.THydrogen-bonded Turntrans7614-179.100000114.7A54 K55 A56A54-G58 PolarHBondContact O-N 2.55Å; K55-G58 PolarHBondContact O-N 3.34Å; A56-G58 VanDerWaalsContact C-N 3.26Å; A56-G58 PolarHBondContact O-N 3.42Å
59Y87.9Confident79.1Confident25 Ų2577.6 Ų77.610%0.09839%0.393CS..  trans-83.7147.3178.5-58.5-22.8000111.9E8 H10 Y28 A54 R57 P115 Q116 R445E8-Y59 PolarHBondContact OE2-OH 2.96Å; H10-Y59 AromaticContact CE1-CE2 3.7Å; H10-Y59 AromaticContact CE1-CZ 3.94Å; Y28-Y59 AromaticContact CD1-CD2 3.76Å; Y28-Y59 HydrophobicContact CD1-CD2 3.76Å; Y28-Y59 HydrophobicContact CD1-CE2 4.38Å; Y28-Y59 HydrophobicContact CD2-CD2 4.36Å; Y28-Y59 HydrophobicContact CD2-CE2 4.23Å; Y28-Y59 AromaticContact CE1-CD2 3.53Å; Y28-Y59 HydrophobicContact CE1-CD2 3.53Å; Y28-Y59 AromaticContact CE1-CE2 3.97Å; Y28-Y59 HydrophobicContact CE1-CE2 3.97Å; Y28-Y59 HydrophobicContact CE2-CD2 4.17Å; Y28-Y59 AromaticContact CE2-CE2 3.81Å; Y28-Y59 HydrophobicContact CE2-CE2 3.81Å; Y28-Y59 HydrophobicContact CG-CD2 4.17Å; Y28-Y59 HydrophobicContact CG-CE2 4.5Å; Y28-Y59 AromaticContact CZ-CD2 3.76Å; Y28-Y59 AromaticContact CZ-CE2 3.67Å; A54-Y59 WeakPolarHBondContact O-CB 3.07Å; A54-Y59 PolarHBondContact O-N 3.02Å; R57-Y59 VanDerWaalsContact C-N 3.31Å; R57-Y59 HydrophobicContact CB-CD2 3.97Å; R57-Y59 HydrophobicContact CB-CE2 3.97Å; R57-Y59 HydrophobicContact CB-CG 4.28Å; R57-Y59 PolarHBondContact O-N 3.24Å; Y59-P115 HydrophobicContact CE1-CG 3.76Å; Y59-Q116 HydrophobicContact CD1-CG 3.76Å; Y59-Q116 HydrophobicContact CE1-CG 4.5Å; Y59-Q116 HydrophobicContact CG-CG 4.22Å; Y59-R445 PolarHBondContact OH-NH2 2.95Å; Y59-R445 VanDerWaalsContact OH-NH2 3.15Å
60S84.3Confident79.4Confident44 Ų4478.5 Ų78.531%0.30839%0.391SS..  trans-90.6113.2-175.4-177.70000110.6Y30 T62Y30-S60 VanDerWaalsContact CD1-O 3.29Å; Y30-S60 WeakPolarHBondContact CD1-O 3.48Å; Y30-S60 VanDerWaalsContact CE1-O 3.32Å; Y30-S60 WeakPolarHBondContact CE1-O 3.39Å; S60-T62 PolarHBondContact OG-O 3.44Å; S60-T62 VanDerWaalsContact OG-O 3.1Å
61W83.1Confident79.9Confident37 Ų3777.7 Ų77.714%0.1439%0.388CS..SBendtrans-71.1-44177-169.2-94.6000113.1Y31 L47 K50 N51 A54Y31-W61 AromaticContact CD2-CD2 3.82Å; Y31-W61 HydrophobicContact CD2-CD2 3.82Å; Y31-W61 AromaticContact CD2-CE2 3.24Å; Y31-W61 HydrophobicContact CD2-CE3 4.33Å; Y31-W61 HydrophobicContact CD2-CG 4.38Å; Y31-W61 AromaticContact CD2-CH2 3.93Å; Y31-W61 HydrophobicContact CD2-CH2 3.93Å; Y31-W61 AromaticContact CD2-CZ2 3.33Å; Y31-W61 HydrophobicContact CD2-CZ2 3.33Å; Y31-W61 HydrophobicContact CD2-CZ3 4.38Å; Y31-W61 AromaticContact CD2-NE1 3.46Å; Y31-W61 HydrophobicContact CE1-CZ2 4.48Å; Y31-W61 HydrophobicContact CE2-CD2 4.28Å; Y31-W61 AromaticContact CE2-CE2 3.69Å; Y31-W61 HydrophobicContact CE2-CE3 4.39Å; Y31-W61 AromaticContact CE2-CH2 3.44Å; Y31-W61 HydrophobicContact CE2-CH2 3.44Å; Y31-W61 VanDerWaalsContact CE2-CH2 3.44Å; Y31-W61 AromaticContact CE2-CZ2 3.25Å; Y31-W61 HydrophobicContact CE2-CZ2 3.25Å; Y31-W61 HydrophobicContact CE2-CZ3 4.01Å; Y31-W61 AromaticContact CG-CE2 3.87Å; Y31-W61 HydrophobicContact CG-CZ2 4.01Å; Y31-W61 AromaticContact CG-NE1 3.64Å; Y31-W61 AromaticContact CZ-CZ2 3.88Å; Y31-W61 PolarHBondContact N-O 3Å; L47-W61 HydrophobicContact CD2-CH2 4.17Å; L47-W61 HydrophobicContact CD2-CZ2 4.11Å; K50-W61 HydrophobicContact CB-CH2 3.88Å; K50-W61 HydrophobicContact CB-CZ3 3.96Å; N51-W61 HydrophobicContact CB-CD2 3.77Å; N51-W61 HydrophobicContact CB-CE3 3.84Å; N51-W61 HydrophobicContact CB-CG 4.37Å; N51-W61 HydrophobicContact CB-CH2 4.1Å; N51-W61 HydrophobicContact CB-CZ2 4.05Å; N51-W61 HydrophobicContact CB-CZ3 4.01Å; A54-W61 HydrophobicContact CB-CE3 4.07Å; A54-W61 HydrophobicContact CB-CZ3 4.43Å
62T84.8Confident80.2Confident41 Ų4179.3 Ų79.325%0.25239%0.391SS..SBendtrans-115122178.961.90000109.5Y31 K33 S60 K64Y31-T62 WeakPolarHBondContact O-CA 3.28Å; Y31-T62 WeakPolarHBondContact O-CG2 3.45Å; K33-T62 HydrophobicContact CG-CG2 3.96Å; S60-T62 PolarHBondContact OG-O 3.44Å; S60-T62 VanDerWaalsContact OG-O 3.1Å; T62-K64 PolarHBondContact O-N 3.38Å
63P83.9Confident80.6Confident9 Ų975.8 Ų75.86%0.05838%0.379CS..  trans-63138.5-178.122.9-28.4000110.1T14 Y31 N65 L71 R72T14-P63 HydrophobicContact CG2-CG 4.09Å; Y31-P63 WeakPolarHBondContact O-CD 3.45Å; P63-N65 PolarHBondContact O-N 3.42Å; P63-L71 HydrophobicContact CB-CD2 3.99Å; P63-L71 HydrophobicContact CB-CG 4.11Å; P63-R72 HydrophobicContact CB-CB 4.21Å; P63-R72 HydrophobicContact CG-CB 3.91Å; P63-R72 HydrophobicContact CG-CG 4.05Å
64K80.4Confident81.1Confident154 Ų15475 Ų7567%0.6738%0.375SS*.  trans-74.9125.4-177-67.7176.8-175.6168.40109.6T62 L71T62-K64 PolarHBondContact O-N 3.38Å; K64-L71 WeakPolarHBondContact O-CB 3.44Å; K64-L71 PolarHBondContact O-N 3.19Å
65N78.4Confident81.6Confident55 Ų5574.9 Ų74.929%0.29437%0.374SS..  trans-108.557.3175-150.533.1000111.6P63 K70 R72 D73P63-N65 PolarHBondContact O-N 3.42Å; N65-K70 WeakPolarHBondContact OD1-CA 3.25Å; N65-K70 VanDerWaalsContact OD1-CB 3.28Å; N65-K70 WeakPolarHBondContact OD1-CB 3.46Å; N65-K70 PolarHBondContact OD1-O 2.75Å; N65-R72 HydrophobicContact CB-CB 4.13Å; N65-R72 PolarHBondContact ND2-NH2 3.38Å; N65-D73 PolarHBondContact ND2-OD1 2.7Å; N65-D73 PolarHBondContact ND2-OD2 3.08Å; N65-D73 PolarHBondContact OD1-OD2 3.43Å
66R73.1Confident81.9Confident206 Ų20672.4 Ų72.478%0.77736%0.363SS*.  trans-108.8147.8175.1-69.1-173.5179.2-176.9-0.4109.5E69 K70R66-E69 PolarHBondContact O-N 3.38Å; R66-K70 PolarHBondContact O-N 3.39Å
67R59.2Low82.4Confident216 Ų21670.9 Ų70.982%0.81534%0.341SS*.THydrogen-bonded Turntrans-62.9141.6170.1-69.8-174.3-177.2-171.20.2108.9
68P60.1Low82.9Confident104 Ų10467 Ų6768%0.67533%0.327SS*.THydrogen-bonded Turncis-88.6-18.87.733.4-33.5000115.5
69E67.1Low83.3Confident60 Ų6064.5 Ų64.528%0.2830%0.297SS..THydrogen-bonded Turntrans-76.3-36.7-164-70.7137.7-150.700115.2R66 L71 Q119R66-E69 PolarHBondContact O-N 3.38Å; E69-L71 PolarHBondContact O-N 2.62Å; E69-L71 VanDerWaalsContact O-N 3.16Å; E69-Q119 HydrophobicContact CG-CB 4.49Å; E69-Q119 HydrophobicContact CG-CG 4.23Å
70K84.2Confident83.6Confident90 Ų9069.3 Ų69.339%0.39132%0.321SS..  trans43.845.1-175.9-63.8-172.7179.6-175.60114.3N65 R66 R72 D73 S74N65-K70 WeakPolarHBondContact OD1-CA 3.25Å; N65-K70 VanDerWaalsContact OD1-CB 3.28Å; N65-K70 WeakPolarHBondContact OD1-CB 3.46Å; N65-K70 PolarHBondContact OD1-O 2.75Å; R66-K70 PolarHBondContact O-N 3.39Å; K70-R72 PolarHBondContact O-N 2.69Å; K70-D73 HydrophobicContact CB-CB 4.46Å; K70-D73 PolarHBondContact O-N 3.22Å; K70-S74 PolarHBondContact O-N 2.73Å
71L88Confident84.1Confident9 Ų968 Ų685%0.04731%0.31CS..Hα-helixtrans-49.7-41.2-170.3174.962.4000113.7P63 K64 E69 D73 S74 L75 L117 V120P63-L71 HydrophobicContact CB-CD2 3.99Å; P63-L71 HydrophobicContact CB-CG 4.11Å; K64-L71 WeakPolarHBondContact O-CB 3.44Å; K64-L71 PolarHBondContact O-N 3.19Å; E69-L71 PolarHBondContact O-N 2.62Å; E69-L71 VanDerWaalsContact O-N 3.16Å; L71-D73 PolarHBondContact O-N 3.42Å; L71-S74 PolarHBondContact O-N 2.84Å; L71-L75 VanDerWaalsContact O-CB 3.23Å; L71-L75 WeakPolarHBondContact O-CB 3.4Å; L71-L75 PolarHBondContact O-N 3.15Å; L71-L117 HydrophobicContact CD1-CB 4.01Å; L71-L117 HydrophobicContact CD1-CD1 4.41Å; L71-L117 HydrophobicContact CD2-CB 4.1Å; L71-L117 WeakPolarHBondContact CD2-O 3.39Å; L71-V120 HydrophobicContact CD1-CB 4.41Å; L71-V120 HydrophobicContact CD1-CG2 3.8Å
72R88.9Confident84.6Confident66 Ų6666.5 Ų66.525%0.24931%0.305CS..Hα-helixtrans-60.6-46.9179.5-176.9-177.858.6-1792.1112.3D32 P63 N65 K70 L75 K76D32-R72 WeakPolarHBondContact OD1-CD 3.44Å; D32-R72 IonicContact OD1-CZ 2.81Å; D32-R72 IonicContact OD1-NE 3.7Å; D32-R72 IonicContact OD1-NH1 3.64Å; D32-R72 PolarHBondContact OD1-NH1 2.9Å; P63-R72 HydrophobicContact CB-CB 4.21Å; P63-R72 HydrophobicContact CG-CB 3.91Å; P63-R72 HydrophobicContact CG-CG 4.05Å; N65-R72 HydrophobicContact CB-CB 4.13Å; N65-R72 PolarHBondContact ND2-NH2 3.38Å; K70-R72 PolarHBondContact O-N 2.69Å; R72-L75 PolarHBondContact O-N 2.85Å; R72-K76 WeakPolarHBondContact O-CG 3.34Å; R72-K76 PolarHBondContact O-N 3.35Å; R72-K76 VanDerWaalsContact O-N 3.11Å
73D89.8Confident84.9Confident65 Ų6570.2 Ų70.235%0.34832%0.319SS..Hα-helixtrans-69.5-41.1-176.1-58.5-16.2000109.8N65 K70 L71 L75 K76 E77N65-D73 PolarHBondContact ND2-OD1 2.7Å; N65-D73 PolarHBondContact ND2-OD2 3.08Å; N65-D73 PolarHBondContact OD1-OD2 3.43Å; K70-D73 HydrophobicContact CB-CB 4.46Å; K70-D73 PolarHBondContact O-N 3.22Å; L71-D73 PolarHBondContact O-N 3.42Å; D73-L75 VanDerWaalsContact C-N 3.35Å; D73-L75 PolarHBondContact O-N 2.85Å; D73-K76 PolarHBondContact O-N 2.82Å; D73-E77 PolarHBondContact O-N 2.84Å
74S91.9Very high85.3Confident22 Ų2274 Ų7415%0.15435%0.346CS..Hα-helixtrans-67.7-31.4175.8-62.10000113.5K70 L71 L78 V120K70-S74 PolarHBondContact O-N 2.73Å; L71-S74 PolarHBondContact O-N 2.84Å; S74-L78 WeakPolarHBondContact O-CB 3.38Å; S74-L78 PolarHBondContact O-N 3.29Å; S74-V120 WeakPolarHBondContact CB-O 3.47Å
75L92.3Very high85.9Confident1 Ų168 Ų681%0.00532%0.321CS..Hα-helixtrans-68-42.8173.4-179.657.9000111.4T14 Y30 L71 R72 D73 E77 L78 E79 L117T14-L75 HydrophobicContact CG2-CD2 3.92Å; Y30-L75 HydrophobicContact CD2-CD2 3.82Å; Y30-L75 HydrophobicContact CE2-CD2 4.46Å; L71-L75 VanDerWaalsContact O-CB 3.23Å; L71-L75 WeakPolarHBondContact O-CB 3.4Å; L71-L75 PolarHBondContact O-N 3.15Å; R72-L75 PolarHBondContact O-N 2.85Å; D73-L75 VanDerWaalsContact C-N 3.35Å; D73-L75 PolarHBondContact O-N 2.85Å; L75-E77 VanDerWaalsContact C-N 3.33Å; L75-E77 PolarHBondContact O-N 2.88Å; L75-L78 WeakPolarHBondContact O-CB 3.42Å; L75-L78 PolarHBondContact O-N 3.17Å; L75-E79 WeakPolarHBondContact O-CG 3.35Å; L75-E79 PolarHBondContact O-N 2.83Å; L75-L117 HydrophobicContact CD1-CD1 3.89Å; L75-L117 HydrophobicContact CD2-CD1 4.08Å
76K91.9Very high86.6Confident77 Ų7768.7 Ų68.734%0.33533%0.327SS..Hα-helixtrans-61.5-43174.4-71.5-175.6-179.9-170.20111.8D32 R72 D73 L78 E79 E80D32-K76 VanDerWaalsContact OD2-CE 3.28Å; D32-K76 WeakPolarHBondContact OD2-CE 3.31Å; D32-K76 IonicContact OD2-NZ 3.22Å; D32-K76 PolarHBondContact OD2-NZ 2.98Å; R72-K76 WeakPolarHBondContact O-CG 3.34Å; R72-K76 PolarHBondContact O-N 3.35Å; R72-K76 VanDerWaalsContact O-N 3.11Å; D73-K76 PolarHBondContact O-N 2.82Å; K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 3.43Å; K76-E79 WeakPolarHBondContact O-CB 3.2Å; K76-E79 PolarHBondContact O-N 2.69Å; K76-E80 WeakPolarHBondContact O-CG 3.34Å; K76-E80 PolarHBondContact O-N 3.39Å
77E93.9Very high87.6Confident58 Ų5859.9 Ų59.927%0.27130%0.297SS..Hα-helixtrans-58.8-43.2174.2-179.9-179.1-167.900111.9D73 L75 E80 L81 V122 R124D73-E77 PolarHBondContact O-N 2.84Å; L75-E77 VanDerWaalsContact C-N 3.33Å; L75-E77 PolarHBondContact O-N 2.88Å; E77-E80 PolarHBondContact O-N 3.22Å; E77-L81 HydrophobicContact CG-CD1 4.37Å; E77-L81 VanDerWaalsContact O-CG 3.32Å; E77-L81 WeakPolarHBondContact O-CG 3.47Å; E77-L81 PolarHBondContact O-N 3.2Å; E77-V122 HydrophobicContact CG-CG2 4.28Å; E77-R124 IonicContact OE1-CZ 3.34Å; E77-R124 IonicContact OE1-NH1 3.48Å; E77-R124 PolarHBondContact OE1-NH1 2.71Å; E77-R124 IonicContact OE1-NH2 3.31Å; E77-R124 PolarHBondContact OE1-NH2 2.95Å
78L93.9Very high89.2Confident4 Ų450.9 Ų50.92%0.02127%0.266CS..Hα-helixtrans-61.8-43.5174.7175.956.7000112S74 L75 K76 E80 L81 L82 M100 V108 V110 V120 L439S74-L78 WeakPolarHBondContact O-CB 3.38Å; S74-L78 PolarHBondContact O-N 3.29Å; L75-L78 WeakPolarHBondContact O-CB 3.42Å; L75-L78 PolarHBondContact O-N 3.17Å; K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 3.43Å; L78-E80 VanDerWaalsContact C-N 3.33Å; L78-E80 PolarHBondContact O-N 3.43Å; L78-L81 WeakPolarHBondContact O-CB 3.21Å; L78-L81 PolarHBondContact O-N 2.68Å; L78-L82 HydrophobicContact CD1-CD1 4.05Å; L78-L82 HydrophobicContact CD1-CG 4.05Å; L78-L82 HydrophobicContact CG-CD1 3.99Å; L78-L82 HydrophobicContact CG-CG 4.45Å; L78-L82 WeakPolarHBondContact O-CG 3.44Å; L78-L82 PolarHBondContact O-N 2.8Å; L78-M100 HydrophobicContact CD1-SD 4.1Å; L78-V108 HydrophobicContact CD1-CB 4.3Å; L78-V108 HydrophobicContact CD1-CG1 3.85Å; L78-V108 HydrophobicContact CD1-CG2 3.94Å; L78-V108 HydrophobicContact CD2-CG1 4.2Å; L78-V110 HydrophobicContact CD2-CG2 4.5Å; L78-V120 HydrophobicContact CB-CG1 4.2Å; L78-V120 HydrophobicContact CD2-CG1 3.94Å; L78-L439 HydrophobicContact CD2-CD1 3.91Å
79E92.6Very high90.8Very high12 Ų1248.1 Ų48.16%0.05624%0.244CC..Hα-helixtrans-63.3-36.6177.9-70.1174.1159.600113S13 T14 K15 L75 K76 Q83S13-E79 WeakPolarHBondContact CA-OE1 3.26Å; S13-E79 WeakPolarHBondContact CB-OE1 3.43Å; S13-E79 PolarHBondContact OG-OE1 3.01Å; T14-E79 PolarHBondContact N-OE1 3.31Å; T14-E79 PolarHBondContact OG1-OE2 3.48Å; K15-E79 WeakPolarHBondContact CE-OE2 3.37Å; L75-E79 WeakPolarHBondContact O-CG 3.35Å; L75-E79 PolarHBondContact O-N 2.83Å; K76-E79 WeakPolarHBondContact O-CB 3.2Å; K76-E79 PolarHBondContact O-N 2.69Å; E79-Q83 WeakPolarHBondContact O-CG 3.5Å; E79-Q83 PolarHBondContact O-N 2.86Å
80E94.1Very high92Very high126 Ų12646 Ų4659%0.58924%0.235SC*.Hα-helixtrans-67.9-39.3173.8-71.7173-173.900111.7K76 E77 L78 Q83 S84K76-E80 WeakPolarHBondContact O-CG 3.34Å; K76-E80 PolarHBondContact O-N 3.39Å; E77-E80 PolarHBondContact O-N 3.22Å; L78-E80 VanDerWaalsContact C-N 3.33Å; L78-E80 PolarHBondContact O-N 3.43Å; E80-Q83 PolarHBondContact O-N 2.86Å; E80-S84 PolarHBondContact O-N 3.22Å; E80-S84 PolarHBondContact O-OG 3.06Å
81L94.9Very high92.3Very high15 Ų1542.7 Ų42.78%0.07922%0.22CC..Hα-helixtrans-64.6-42.6175.8-75171.1000111.9E77 L78 Q83 S84 N85 L102 V106 V122E77-L81 HydrophobicContact CG-CD1 4.37Å; E77-L81 VanDerWaalsContact O-CG 3.32Å; E77-L81 WeakPolarHBondContact O-CG 3.47Å; E77-L81 PolarHBondContact O-N 3.2Å; L78-L81 WeakPolarHBondContact O-CB 3.21Å; L78-L81 PolarHBondContact O-N 2.68Å; L81-Q83 VanDerWaalsContact C-N 3.28Å; L81-Q83 PolarHBondContact O-N 3.04Å; L81-S84 PolarHBondContact O-N 2.83Å; L81-S84 PolarHBondContact O-OG 3.06Å; L81-N85 WeakPolarHBondContact O-CB 3.37Å; L81-N85 PolarHBondContact O-N 2.8Å; L81-N85 PolarHBondContact O-ND2 2.81Å; L81-L102 HydrophobicContact CB-CD1 3.71Å; L81-L102 HydrophobicContact CD1-CD1 4.35Å; L81-L102 HydrophobicContact CG-CD1 4.47Å; L81-V106 HydrophobicContact CD1-CG1 4.08Å; L81-V122 HydrophobicContact CD1-CG1 3.64Å; L81-V122 HydrophobicContact CD1-CG2 4.31Å
82L92.6Very high92.3Very high6 Ų642.8 Ų42.83%0.03122%0.22CC..Hα-helixtrans-68.3-25.4177.5-70169.9000113.1L78 N85 C87 L102 G436 L439L78-L82 HydrophobicContact CD1-CD1 4.05Å; L78-L82 HydrophobicContact CD1-CG 4.05Å; L78-L82 HydrophobicContact CG-CD1 3.99Å; L78-L82 HydrophobicContact CG-CG 4.45Å; L78-L82 WeakPolarHBondContact O-CG 3.44Å; L78-L82 PolarHBondContact O-N 2.8Å; L82-N85 CarbonylContact C-O 3.58Å; L82-N85 VanDerWaalsContact O-O 3.04Å; L82-C87 HydrophobicContact CD2-CB 4.39Å; L82-L102 HydrophobicContact CD2-CD2 3.94Å; L82-G436 CarbonylContact O-C 3.55Å; L82-G436 WeakPolarHBondContact O-CA 3.37Å; L82-G436 PolarHBondContact O-N 3.34Å; L82-L439 HydrophobicContact CD1-CD1 4.21Å; L82-L439 HydrophobicContact CD1-CD2 4.43Å; L82-L439 HydrophobicContact CD1-CG 3.83Å
83Q91.8Very high92Very high120 Ų12042.3 Ų42.356%0.56122%0.218SC*.Hα-helixtrans-72.3-31.3173.9-80.6-179.4-32.600113.4E79 E80 L81 G436E79-Q83 WeakPolarHBondContact O-CG 3.5Å; E79-Q83 PolarHBondContact O-N 2.86Å; E80-Q83 PolarHBondContact O-N 2.86Å; L81-Q83 VanDerWaalsContact C-N 3.28Å; L81-Q83 PolarHBondContact O-N 3.04Å; Q83-G436 WeakPolarHBondContact CG-O 3.29Å
84S92.3Very high91.6Very high87 Ų8740.7 Ų40.761%0.60821%0.212SC*.Hα-helixtrans-101.3-16-175.548.80000113.6E80 L81E80-S84 PolarHBondContact O-N 3.22Å; E80-S84 PolarHBondContact O-OG 3.06Å; L81-S84 PolarHBondContact O-N 2.83Å; L81-S84 PolarHBondContact O-OG 3.06Å
85N93.2Very high91.1Very high28 Ų2843.5 Ų43.515%0.1522%0.221CC..SBendtrans-137.4148.5-174.3-51.1-84000110.4L81 L82 L102 N104L81-N85 WeakPolarHBondContact O-CB 3.37Å; L81-N85 PolarHBondContact O-N 2.8Å; L81-N85 PolarHBondContact O-ND2 2.81Å; L82-N85 CarbonylContact C-O 3.58Å; L82-N85 VanDerWaalsContact O-O 3.04Å; N85-L102 HydrophobicContact CB-CB 4.26Å; N85-N104 PolarHBondContact ND2-ND2 3.49Å; N85-N104 WeakPolarHBondContact OD1-CB 3.34Å; N85-N104 VanDerWaalsContact OD1-CG 3.24Å; N85-N104 PolarHBondContact OD1-ND2 3.34Å
86T91.9Very high90.7Very high70 Ų7049 Ų4943%0.42924%0.243SC..  trans-84.6145.1172.254.30000109.9V88 L102 S103T86-V88 PolarHBondContact O-N 2.92Å; T86-L102 CarbonylContact O-C 3.47Å; T86-L102 WeakPolarHBondContact O-CA 3.32Å; T86-S103 PolarHBondContact N-OG 2.91Å; T86-S103 PolarHBondContact O-N 3.43Å; T86-S103 WeakPolarHBondContact OG1-CB 3.23Å
87C94.2Very high90.5Very high21 Ų2149.6 Ų49.614%0.14224%0.244CC..EExtended strand (participates in β ladder)trans-80.4115.1168.1175.60000108.3L82 L102 V433L82-C87 HydrophobicContact CD2-CB 4.39Å; C87-L102 HydrophobicContact CB-CD2 4.05Å; C87-V433 HydrophobicContact CB-CG1 3.58Å
88V94.1Very high90.3Very high28 Ų2846.8 Ų46.817%0.1723%0.231CC..EExtended strand (participates in β ladder)trans-89.8-29.2-175.3-63.70000112.8T86 M101 V135 A138T86-V88 PolarHBondContact O-N 2.92Å; V88-M101 HydrophobicContact CG2-CB 3.83Å; V88-M101 HydrophobicContact CG2-CG 3.66Å; V88-M101 WeakPolarHBondContact CG2-O 3.49Å; V88-M101 PolarHBondContact N-O 3.49Å; V88-V135 HydrophobicContact CG2-CG1 3.94Å; V88-A138 HydrophobicContact CG2-CB 4.1Å
89H93.8Very high90.2Very high45 Ų4547.4 Ų47.421%0.20823%0.233CC..EExtended strand (participates in β ladder)trans-150.3147.3179.3-17382.1000111.2M100 M101 A138H89-M100 CarbonylContact O-C 3.52Å; H89-M100 WeakPolarHBondContact O-CA 3.49Å; H89-M101 HydrophobicContact CB-CB 4.37Å; H89-M101 PolarHBondContact N-O 3.13Å; H89-M101 PolarHBondContact O-N 2.92Å; H89-A138 HydrophobicContact CB-CB 3.81Å; H89-A138 PolarHBondContact CE1-O 3.28Å; H89-A138 PolarHBondContact ND1-O 3.26Å
90T92.4Very high90.3Very high16 Ų1646.9 Ų46.910%0.09823%0.231CC..EExtended strand (participates in β ladder)trans-124.9146.5170.747.10000109.4Q99 M100 Q415 V433T90-Q99 CarbonylContact C-O 3.6Å; T90-Q99 WeakPolarHBondContact CA-O 3.34Å; T90-M100 HydrophobicContact CG2-CB 4.1Å; T90-Q415 PolarHBondContact O-NE2 3.3Å; T90-Q415 PolarHBondContact O-OE1 2.69Å; T90-Q415 PolarHBondContact OG1-OE1 3.09Å; T90-V433 HydrophobicContact CG2-CG2 3.74Å
91R90.2Very high90.3Very high20 Ų2040.9 Ų40.98%0.07520%0.203CC..EExtended strand (participates in β ladder)trans-146.6132.8174.8173.2179.2179-140.65.9111C98 Q99 L140 S141 D142 Q415 L420R91-C98 CarbonylContact O-C 3.56Å; R91-C98 WeakPolarHBondContact O-CA 3.31Å; R91-Q99 PolarHBondContact N-O 2.78Å; R91-Q99 PolarHBondContact O-N 3Å; R91-L140 HydrophobicContact CB-CB 4.27Å; R91-L140 HydrophobicContact CB-CD1 4.33Å; R91-L140 WeakPolarHBondContact CD-O 3.34Å; R91-L140 PolarHBondContact NE-O 3.23Å; R91-L140 PolarHBondContact NH1-O 3.03Å; R91-S141 PolarHBondContact NH1-O 2.96Å; R91-D142 IonicContact CZ-OD2 3.09Å; R91-D142 IonicContact NH1-OD1 3.57Å; R91-D142 IonicContact NH2-OD1 3.94Å; R91-D142 IonicContact NH2-OD2 3.9Å; R91-D142 PolarHBondContact NH2-OD2 3Å; R91-Q415 VanDerWaalsContact N-OE1 3.1Å; R91-L420 VanDerWaalsContact NH2-CD2 3.28Å
92W87.6Confident90.4Very high12 Ų1240.2 Ų40.25%0.04520%0.199CC..EExtended strand (participates in β ladder)trans-88.7123163.7-67.987000110.1C98 L112 W416 G417 A418 T429 T431W92-C98 HydrophobicContact CD2-CB 3.98Å; W92-C98 HydrophobicContact CE3-CB 3.97Å; W92-C98 HydrophobicContact CH2-CB 4.47Å; W92-C98 HydrophobicContact CZ2-CB 4.46Å; W92-C98 HydrophobicContact CZ3-CB 4.22Å; W92-L112 HydrophobicContact CH2-CD1 3.37Å; W92-L112 HydrophobicContact CZ3-CD1 3.52Å; W92-W416 VanDerWaalsContact CD1-O 3.3Å; W92-G417 VanDerWaalsContact CD1-CA 3.49Å; W92-G417 VanDerWaalsContact CD2-CA 3.5Å; W92-G417 VanDerWaalsContact CG-CA 3.44Å; W92-A418 WeakPolarHBondContact CB-O 3.43Å; W92-T429 HydrophobicContact CH2-CG2 4.26Å; W92-T429 HydrophobicContact CZ2-CG2 4.32Å; W92-T431 VanDerWaalsContact CE2-OG1 3.25Å; W92-T431 WeakPolarHBondContact CZ2-OG1 3.47Å; W92-T431 PolarHBondContact NE1-OG1 3.19Å
93R83.6Confident90.5Very high56 Ų5640.7 Ų40.721%0.21120%0.203CC..EExtended strand (participates in β ladder)trans-85-34.6171.9-69.8-177.874-1645111Y97 Q99 D142 D175 L420R93-Y97 PolarHBondContact N-O 3.27Å; R93-Q99 VanDerWaalsContact CD-CD 3.48Å; R93-Q99 HydrophobicContact CG-CG 4.36Å; R93-D142 IonicContact CZ-OD1 2.7Å; R93-D142 IonicContact NE-OD1 3.81Å; R93-D142 PolarHBondContact NE-OD1 3.01Å; R93-D142 IonicContact NH2-OD1 2.65Å; R93-D142 PolarHBondContact NH2-OD1 3.35Å; R93-D175 IonicContact NH1-OD1 3.46Å; R93-L420 HydrophobicContact CB-CD1 4.48Å; R93-L420 WeakPolarHBondContact O-CD1 3.44Å
94S80.6Confident90.6Very high30 Ų3036.9 Ų36.921%0.2119%0.187CC..EExtended strand (participates in β ladder)trans-156.4179175.574.90000108.7Y96 Y97S94-Y96 PolarHBondContact O-N 2.97Å; S94-Y96 PolarHBondContact OG-N 3.33Å; S94-Y96 VanDerWaalsContact OG-N 3.08Å; S94-Y97 PolarHBondContact O-N 2.9Å; S94-Y97 VanDerWaalsContact OG-CD2 3.27Å; S94-Y97 WeakPolarHBondContact OG-CD2 3.22Å; S94-Y97 PolarHBondContact OG-N 3.49Å
95K80.8Confident90.6Very high81 Ų8132.8 Ų32.835%0.35216%0.158SC..THydrogen-bonded Turntrans-57.7-14.2171.459.2-176.2174.6-164.40116.1E425 T427K95-E425 IonicContact NZ-OE2 2.69Å; K95-E425 PolarHBondContact NZ-OE2 3.2Å; K95-T427 HydrophobicContact CB-CG2 3.05Å; K95-T427 HydrophobicContact CG-CG2 4.46Å
96Y84.3Confident90.7Very high116 Ų11631.5 Ų31.546%0.45515%0.151SC..THydrogen-bonded Turntrans-110.5-12-177.4-51.8-65.9000113.9S94 T111 L112S94-Y96 PolarHBondContact O-N 2.97Å; S94-Y96 PolarHBondContact OG-N 3.33Å; S94-Y96 VanDerWaalsContact OG-N 3.08Å; Y96-T111 CarbonylContact O-C 3.52Å; Y96-T111 VanDerWaalsContact O-CA 3.31Å; Y96-T111 WeakPolarHBondContact O-CA 3.22Å; Y96-L112 PolarHBondContact O-N 2.86Å
97Y86.8Confident90.9Very high90 Ų9028.4 Ų28.435%0.35313%0.132SC..EExtended strand (participates in β ladder)trans-132.1115.4-169.9-64.8-75.1000110.6R93 S94 T111R93-Y97 PolarHBondContact N-O 3.27Å; S94-Y97 PolarHBondContact O-N 2.9Å; S94-Y97 VanDerWaalsContact OG-CD2 3.27Å; S94-Y97 WeakPolarHBondContact OG-CD2 3.22Å; S94-Y97 PolarHBondContact OG-N 3.49Å; Y97-T111 HydrophobicContact CD1-CG2 3.98Å; Y97-T111 WeakPolarHBondContact CD1-OG1 3.39Å; Y97-T111 HydrophobicContact CE1-CG2 3.5Å; Y97-T111 VanDerWaalsContact CE1-CG2 3.5Å; Y97-T111 WeakPolarHBondContact CE1-OG1 3.34Å
98C89.9Confident90.9Very high0 Ų027.4 Ų27.40%013%0.125CC..EExtended strand (participates in β ladder)trans-115.5126.9174.3-175.80000109.4R91 W92 V110R91-C98 CarbonylContact O-C 3.56Å; R91-C98 WeakPolarHBondContact O-CA 3.31Å; W92-C98 HydrophobicContact CD2-CB 3.98Å; W92-C98 HydrophobicContact CE3-CB 3.97Å; W92-C98 HydrophobicContact CH2-CB 4.47Å; W92-C98 HydrophobicContact CZ2-CB 4.46Å; W92-C98 HydrophobicContact CZ3-CB 4.22Å; C98-V110 PolarHBondContact N-O 2.96Å; C98-V110 PolarHBondContact O-N 2.86Å
99Q92.4Very high90.8Very high16 Ų1626.2 Ų26.28%0.07512%0.118CC..EExtended strand (participates in β ladder)trans-108.3150.4177.1-62.9-171.8-5300110.4T90 R91 R93 L107 V108 T109 L140T90-Q99 CarbonylContact C-O 3.6Å; T90-Q99 WeakPolarHBondContact CA-O 3.34Å; R91-Q99 PolarHBondContact N-O 2.78Å; R91-Q99 PolarHBondContact O-N 3Å; R93-Q99 VanDerWaalsContact CD-CD 3.48Å; R93-Q99 HydrophobicContact CG-CG 4.36Å; Q99-L107 HydrophobicContact CB-CD1 4.38Å; Q99-V108 CarbonylContact C-O 3.51Å; Q99-V108 WeakPolarHBondContact CA-O 3.48Å; Q99-T109 HydrophobicContact CG-CG2 4.06Å; Q99-T109 PolarHBondContact NE2-OG1 3.36Å; Q99-L140 HydrophobicContact CB-CD1 3.81Å
100M93.8Very high90.7Very high2 Ų224.1 Ų24.11%0.0111%0.108CC..EExtended strand (participates in β ladder)trans-141.2141.2172.566-161.668.300110.8L78 H89 T90 V108 V110 L439L78-M100 HydrophobicContact CD1-SD 4.1Å; H89-M100 CarbonylContact O-C 3.52Å; H89-M100 WeakPolarHBondContact O-CA 3.49Å; T90-M100 HydrophobicContact CG2-CB 4.1Å; M100-V108 HydrophobicContact CE-CG1 4.43Å; M100-V108 HydrophobicContact CG-CB 3.59Å; M100-V108 HydrophobicContact CG-CG1 4.33Å; M100-V108 HydrophobicContact CG-CG2 4.36Å; M100-V108 PolarHBondContact N-O 2.84Å; M100-V108 PolarHBondContact O-N 2.84Å; M100-V108 HydrophobicContact SD-CB 3.94Å; M100-V108 HydrophobicContact SD-CG1 4.13Å; M100-V110 HydrophobicContact CE-CG2 3.66Å; M100-L439 HydrophobicContact CE-CD1 3.31Å; M100-L439 HydrophobicContact CE-CD2 4.49Å; M100-L439 HydrophobicContact SD-CD1 3.61Å; M100-L439 HydrophobicContact SD-CD2 4.47Å
101M95.4Very high90.6Very high0 Ų023.9 Ų23.90%011%0.107CC..EExtended strand (participates in β ladder)trans-102.6129.8171.7-176.659.365.200108.5V88 H89 L107 L126 A138 L140 V145 L147V88-M101 HydrophobicContact CG2-CB 3.83Å; V88-M101 HydrophobicContact CG2-CG 3.66Å; V88-M101 WeakPolarHBondContact CG2-O 3.49Å; V88-M101 PolarHBondContact N-O 3.49Å; H89-M101 HydrophobicContact CB-CB 4.37Å; H89-M101 PolarHBondContact N-O 3.13Å; H89-M101 PolarHBondContact O-N 2.92Å; M101-L107 HydrophobicContact CE-CB 4.12Å; M101-L107 HydrophobicContact CE-CD1 4.11Å; M101-L126 HydrophobicContact CE-CD1 4.03Å; M101-A138 HydrophobicContact CB-CB 4.09Å; M101-A138 HydrophobicContact CG-CB 3.95Å; M101-L140 HydrophobicContact CE-CD2 3.87Å; M101-V145 HydrophobicContact CE-CG1 4.16Å; M101-L147 HydrophobicContact CE-CD2 4.3Å; M101-L147 HydrophobicContact CG-CD2 4.12Å; M101-L147 HydrophobicContact SD-CD2 4.48Å
102L95.8Very high90.5Very high0 Ų023.2 Ų23.20%011%0.105CC..EExtended strand (participates in β ladder)trans-94.4156.9173.3-55.9-172.9000110.7L81 L82 N85 T86 C87 N104 G105 V106 V108L81-L102 HydrophobicContact CB-CD1 3.71Å; L81-L102 HydrophobicContact CD1-CD1 4.35Å; L81-L102 HydrophobicContact CG-CD1 4.47Å; L82-L102 HydrophobicContact CD2-CD2 3.94Å; N85-L102 HydrophobicContact CB-CB 4.26Å; T86-L102 CarbonylContact O-C 3.47Å; T86-L102 WeakPolarHBondContact O-CA 3.32Å; C87-L102 HydrophobicContact CB-CD2 4.05Å; L102-N104 WeakPolarHBondContact CB-OD1 3.26Å; L102-N104 PolarHBondContact O-N 2.69Å; L102-N104 VanDerWaalsContact O-N 3.09Å; L102-G105 PolarHBondContact O-N 2.59Å; L102-V106 HydrophobicContact CB-CB 4.3Å; L102-V106 HydrophobicContact CD1-CB 4.18Å; L102-V106 HydrophobicContact CD1-CG1 4.33Å; L102-V106 HydrophobicContact CG-CB 4.43Å; L102-V106 PolarHBondContact N-O 2.75Å; L102-V108 HydrophobicContact CD1-CG2 4.41Å
103S94.7Very high90.4Very high16 Ų1630.2 Ų30.211%0.11214%0.135CC..THydrogen-bonded Turntrans-59.5-23-176.759.20000114.4T86 G105 V135T86-S103 PolarHBondContact N-OG 2.91Å; T86-S103 PolarHBondContact O-N 3.43Å; T86-S103 WeakPolarHBondContact OG1-CB 3.23Å; S103-G105 VanDerWaalsContact C-N 3.32Å; S103-V135 WeakPolarHBondContact O-CB 3.42Å; S103-V135 PolarHBondContact O-N 2.76Å
104N94.6Very high90.3Very high41 Ų4129.8 Ų29.822%0.21915%0.149CC..THydrogen-bonded Turntrans-87.95.1175.464.6-2.9000114.1N85 L102 V106N85-N104 PolarHBondContact ND2-ND2 3.49Å; N85-N104 WeakPolarHBondContact OD1-CB 3.34Å; N85-N104 VanDerWaalsContact OD1-CG 3.24Å; N85-N104 PolarHBondContact OD1-ND2 3.34Å; L102-N104 WeakPolarHBondContact CB-OD1 3.26Å; L102-N104 PolarHBondContact O-N 2.69Å; L102-N104 VanDerWaalsContact O-N 3.09Å; N104-V106 WeakPolarHBondContact OD1-CB 3.27Å; N104-V106 VanDerWaalsContact OD1-CG2 3.26Å; N104-V106 WeakPolarHBondContact OD1-CG2 3.35Å; N104-V106 PolarHBondContact OD1-N 2.9Å; N104-V106 VanDerWaalsContact OD1-N 3.14Å
105G93.1Very high90.4Very high0 Ų028.7 Ų28.70%014%0.141CC..SBendtrans84.69.3-179.200000115L102 S103L102-G105 PolarHBondContact O-N 2.59Å; S103-G105 VanDerWaalsContact C-N 3.32Å
106V95.2Very high90.7Very high1 Ų125.7 Ų25.71%0.00613%0.128CC..  trans-74.8126.2172.1176.70000109.8L81 L102 N104 V108 V122 R124 V127L81-V106 HydrophobicContact CD1-CG1 4.08Å; L102-V106 HydrophobicContact CB-CB 4.3Å; L102-V106 HydrophobicContact CD1-CB 4.18Å; L102-V106 HydrophobicContact CD1-CG1 4.33Å; L102-V106 HydrophobicContact CG-CB 4.43Å; L102-V106 PolarHBondContact N-O 2.75Å; N104-V106 WeakPolarHBondContact OD1-CB 3.27Å; N104-V106 VanDerWaalsContact OD1-CG2 3.26Å; N104-V106 WeakPolarHBondContact OD1-CG2 3.35Å; N104-V106 PolarHBondContact OD1-N 2.9Å; N104-V106 VanDerWaalsContact OD1-N 3.14Å; V106-V108 HydrophobicContact CG1-CG2 3.97Å; V106-V122 HydrophobicContact CG1-CG1 3.72Å; V106-R124 HydrophobicContact CG1-CG 4.44Å; V106-R124 HydrophobicContact CG2-CG 4.04Å; V106-V127 HydrophobicContact CG2-CG2 3.57Å
107L94.5Very high91Very high6 Ų620.7 Ų20.73%0.03111%0.109CC..EExtended strand (participates in β ladder)trans-95.4123.2172.6176.966.6000108.6Q99 M101 D123 L140 L177Q99-L107 HydrophobicContact CB-CD1 4.38Å; M101-L107 HydrophobicContact CE-CB 4.12Å; M101-L107 HydrophobicContact CE-CD1 4.11Å; L107-D123 HydrophobicContact CB-CB 4.4Å; L107-D123 PolarHBondContact N-O 2.88Å; L107-D123 WeakPolarHBondContact O-CA 3.32Å; L107-D123 WeakPolarHBondContact O-CB 3.42Å; L107-D123 PolarHBondContact O-N 2.88Å; L107-L140 HydrophobicContact CD1-CD1 3.95Å; L107-L140 HydrophobicContact CD1-CD2 4.25Å; L107-L177 HydrophobicContact CD2-CD1 3.97Å; L107-L177 HydrophobicContact CD2-CG 4.21Å
108V94.7Very high91.1Very high0 Ų019.7 Ų19.70%011%0.11CC..EExtended strand (participates in β ladder)trans-113.4128.7174.8-179.60000108.8L78 Q99 M100 L102 V106 V110 V120 C121 V122L78-V108 HydrophobicContact CD1-CB 4.3Å; L78-V108 HydrophobicContact CD1-CG1 3.85Å; L78-V108 HydrophobicContact CD1-CG2 3.94Å; L78-V108 HydrophobicContact CD2-CG1 4.2Å; Q99-V108 CarbonylContact C-O 3.51Å; Q99-V108 WeakPolarHBondContact CA-O 3.48Å; M100-V108 HydrophobicContact CE-CG1 4.43Å; M100-V108 HydrophobicContact CG-CB 3.59Å; M100-V108 HydrophobicContact CG-CG1 4.33Å; M100-V108 HydrophobicContact CG-CG2 4.36Å; M100-V108 PolarHBondContact N-O 2.84Å; M100-V108 PolarHBondContact O-N 2.84Å; M100-V108 HydrophobicContact SD-CB 3.94Å; M100-V108 HydrophobicContact SD-CG1 4.13Å; L102-V108 HydrophobicContact CD1-CG2 4.41Å; V106-V108 HydrophobicContact CG1-CG2 3.97Å; V108-V110 HydrophobicContact CG1-CG2 4.31Å; V108-V120 HydrophobicContact CG1-CG1 3.99Å; V108-C121 CarbonylContact C-O 3.54Å; V108-C121 WeakPolarHBondContact CA-O 3.31Å; V108-V122 HydrophobicContact CG2-CG2 4.35Å
109T93.2Very high91.1Very high3 Ų322.3 Ų22.32%0.01812%0.122CC..EExtended strand (participates in β ladder)trans-112.5120.7172.7-57.90000109.4Q99 C121 D175Q99-T109 HydrophobicContact CG-CG2 4.06Å; Q99-T109 PolarHBondContact NE2-OG1 3.36Å; T109-C121 PolarHBondContact N-O 2.97Å; T109-C121 PolarHBondContact O-N 3.41Å; T109-D175 HydrophobicContact CG2-CB 4.28Å
110V91.6Very high91.1Very high0 Ų021.8 Ų21.80%012%0.12CC..EExtended strand (participates in β ladder)trans-101.8123.2176.4175.80000108.7W12 L78 C98 M100 V108 L112 L117 V120W12-V110 HydrophobicContact CE3-CG1 4.4Å; W12-V110 HydrophobicContact CZ3-CG1 4.21Å; L78-V110 HydrophobicContact CD2-CG2 4.5Å; C98-V110 PolarHBondContact N-O 2.96Å; C98-V110 PolarHBondContact O-N 2.86Å; M100-V110 HydrophobicContact CE-CG2 3.66Å; V108-V110 HydrophobicContact CG1-CG2 4.31Å; V110-L112 HydrophobicContact CG1-CD2 3.65Å; V110-L112 HydrophobicContact CG1-CG 4.26Å; V110-L117 HydrophobicContact CG1-CD2 3.21Å; V110-V120 HydrophobicContact CG2-CG2 4.49Å
111T90.1Very high91Very high12 Ų1222.2 Ų22.27%0.07412%0.123CC..EExtended strand (participates in β ladder)trans-101.2132.1173.4-52.60000109.5Y96 Y97 D118 Q119Y96-T111 CarbonylContact O-C 3.52Å; Y96-T111 VanDerWaalsContact O-CA 3.31Å; Y96-T111 WeakPolarHBondContact O-CA 3.22Å; Y97-T111 HydrophobicContact CD1-CG2 3.98Å; Y97-T111 WeakPolarHBondContact CD1-OG1 3.39Å; Y97-T111 HydrophobicContact CE1-CG2 3.5Å; Y97-T111 VanDerWaalsContact CE1-CG2 3.5Å; Y97-T111 WeakPolarHBondContact CE1-OG1 3.34Å; T111-D118 HydrophobicContact CG2-CB 4.38Å; T111-D118 PolarHBondContact O-N 2.92Å; T111-Q119 PolarHBondContact N-O 3.26Å; T111-Q119 PolarHBondContact O-N 3.14Å
112L87.3Confident90.9Very high6 Ų622.7 Ų22.73%0.03113%0.126CC..EExtended strand (participates in β ladder)trans-116.3143.6-175-57.7-179.1000112W12 W92 Y96 V110 Q116 L117W12-L112 HydrophobicContact CH2-CD1 3.76Å; W12-L112 HydrophobicContact CH2-CD2 3.89Å; W12-L112 HydrophobicContact CH2-CG 4.38Å; W12-L112 HydrophobicContact CZ2-CD1 3.66Å; W12-L112 HydrophobicContact CZ2-CD2 3.47Å; W12-L112 VanDerWaalsContact CZ2-CD2 3.47Å; W12-L112 HydrophobicContact CZ2-CG 4.22Å; W92-L112 HydrophobicContact CH2-CD1 3.37Å; W92-L112 HydrophobicContact CZ3-CD1 3.52Å; Y96-L112 PolarHBondContact O-N 2.86Å; V110-L112 HydrophobicContact CG1-CD2 3.65Å; V110-L112 HydrophobicContact CG1-CG 4.26Å; L112-Q116 CarbonylContact C-O 3.55Å; L112-Q116 VanDerWaalsContact CA-O 3.25Å; L112-Q116 WeakPolarHBondContact CA-O 3.39Å; L112-L117 HydrophobicContact CD2-CD2 3.74Å
113K85Confident90.7Very high158 Ų15823 Ų2369%0.68713%0.128SC*.EExtended strand (participates in β ladder)trans-117.194.9165.8-172.7175.7-178.3175.10108.6Q116 D118K113-Q116 PolarHBondContact N-O 3.12Å; K113-Q116 PolarHBondContact O-N 2.81Å; K113-D118 HydrophobicContact CB-CB 4.36Å
114G81.6Confident90.7Very high48 Ų4827.5 Ų27.550%0.49514%0.142SC..THydrogen-bonded Turntrans65.3-133.1-164.200000109.7Q116G114-Q116 VanDerWaalsContact C-N 3.3Å
115P83.4Confident90.5Very high6 Ų627.1 Ų27.14%0.03914%0.141CC..THydrogen-bonded Turntrans-84.60.6176.133.8-33.6000114.4H10 W12 Y59 K443H10-P115 VanDerWaalsContact CD2-CB 3.47Å; H10-P115 WeakPolarHBondContact CD2-CB 3.4Å; H10-P115 VanDerWaalsContact CE1-CG 3.46Å; H10-P115 WeakPolarHBondContact CE1-CG 3.21Å; H10-P115 VanDerWaalsContact NE2-CB 3.34Å; H10-P115 WeakPolarHBondContact NE2-CB 3.02Å; H10-P115 WeakPolarHBondContact NE2-CG 3.26Å; W12-P115 PolarHBondContact NE1-O 2.96Å; Y59-P115 HydrophobicContact CE1-CG 3.76Å; P115-K443 HydrophobicContact CB-CD 4.02Å; P115-K443 HydrophobicContact CG-CD 4.12Å
116Q87.6Confident90.3Very high19 Ų1927.2 Ų27.29%0.08914%0.142CC..EExtended strand (participates in β ladder)trans-96.6146.7-174.9-63.4-71.6-78.600111.5H10 Y59 L112 K113 G114H10-Q116 PolarHBondContact ND1-NE2 2.82Å; Y59-Q116 HydrophobicContact CD1-CG 3.76Å; Y59-Q116 HydrophobicContact CE1-CG 4.5Å; Y59-Q116 HydrophobicContact CG-CG 4.22Å; L112-Q116 CarbonylContact C-O 3.55Å; L112-Q116 VanDerWaalsContact CA-O 3.25Å; L112-Q116 WeakPolarHBondContact CA-O 3.39Å; K113-Q116 PolarHBondContact N-O 3.12Å; K113-Q116 PolarHBondContact O-N 2.81Å; G114-Q116 VanDerWaalsContact C-N 3.3Å
117L90.5Very high90.1Very high11 Ų1130.3 Ų30.36%0.05816%0.161CC..EExtended strand (participates in β ladder)trans-71.9128.3172.8-64.2179.6000109.4W12 Y30 L71 L75 V110 L112 V120W12-L117 HydrophobicContact CB-CD1 3.95Å; W12-L117 HydrophobicContact CB-CD2 4.32Å; W12-L117 HydrophobicContact CB-CG 4.27Å; W12-L117 HydrophobicContact CD2-CD2 3.69Å; W12-L117 HydrophobicContact CD2-CG 4.3Å; W12-L117 HydrophobicContact CE3-CD2 4.08Å; W12-L117 HydrophobicContact CG-CD1 4.11Å; W12-L117 HydrophobicContact CG-CD2 3.77Å; W12-L117 HydrophobicContact CG-CG 3.88Å; Y30-L117 HydrophobicContact CD2-CD1 4.34Å; Y30-L117 HydrophobicContact CE2-CB 4.26Å; Y30-L117 HydrophobicContact CE2-CD1 3.57Å; Y30-L117 HydrophobicContact CE2-CG 3.85Å; Y30-L117 PolarHBondContact OH-N 2.89Å; L71-L117 HydrophobicContact CD1-CB 4.01Å; L71-L117 HydrophobicContact CD1-CD1 4.41Å; L71-L117 HydrophobicContact CD2-CB 4.1Å; L71-L117 WeakPolarHBondContact CD2-O 3.39Å; L75-L117 HydrophobicContact CD1-CD1 3.89Å; L75-L117 HydrophobicContact CD2-CD1 4.08Å; V110-L117 HydrophobicContact CG1-CD2 3.21Å; L112-L117 HydrophobicContact CD2-CD2 3.74Å; L117-V120 HydrophobicContact CD1-CG2 4.31Å
118D88.8Confident89.8Confident69 Ų6933.7 Ų33.737%0.36920%0.197SC..EExtended strand (participates in β ladder)trans-100.8-46.7169.8-163.958.6000110T111 K113T111-D118 HydrophobicContact CG2-CB 4.38Å; T111-D118 PolarHBondContact O-N 2.92Å; K113-D118 HydrophobicContact CB-CB 4.36Å
119Q89.9Confident89.5Confident55 Ų5539.1 Ų39.126%0.25722%0.218SC..EExtended strand (participates in β ladder)trans-144.8144.6-179.2-170.6176.915.400111.8E69 T111E69-Q119 HydrophobicContact CG-CB 4.49Å; E69-Q119 HydrophobicContact CG-CG 4.23Å; T111-Q119 PolarHBondContact N-O 3.26Å; T111-Q119 PolarHBondContact O-N 3.14Å
120V92.4Very high89.3Confident4 Ų440 Ų402%0.02422%0.222CC..EExtended strand (participates in β ladder)trans-119.8119.5167.6176.80000108.1L71 S74 L78 V108 V110 L117 V122L71-V120 HydrophobicContact CD1-CB 4.41Å; L71-V120 HydrophobicContact CD1-CG2 3.8Å; S74-V120 WeakPolarHBondContact CB-O 3.47Å; L78-V120 HydrophobicContact CB-CG1 4.2Å; L78-V120 HydrophobicContact CD2-CG1 3.94Å; V108-V120 HydrophobicContact CG1-CG1 3.99Å; V110-V120 HydrophobicContact CG2-CG2 4.49Å; L117-V120 HydrophobicContact CD1-CG2 4.31Å; V120-V122 HydrophobicContact CG1-CG2 4.35Å
121C91.9Very high89Confident12 Ų1241.9 Ų41.98%0.08123%0.234CC..EExtended strand (participates in β ladder)trans-111.2111.2178.6-177.30000109.8V108 T109 K176V108-C121 CarbonylContact C-O 3.54Å; V108-C121 WeakPolarHBondContact CA-O 3.31Å; T109-C121 PolarHBondContact N-O 2.97Å; T109-C121 PolarHBondContact O-N 3.41Å; C121-K176 WeakPolarHBondContact SG-CG 3.49Å
122V93.5Very high88.7Confident9 Ų941.7 Ų41.76%0.05523%0.234CC..EExtended strand (participates in β ladder)trans-93.8121.6173.9-1780000109.4E77 L81 V106 V108 V120 R124 K176E77-V122 HydrophobicContact CG-CG2 4.28Å; L81-V122 HydrophobicContact CD1-CG1 3.64Å; L81-V122 HydrophobicContact CD1-CG2 4.31Å; V106-V122 HydrophobicContact CG1-CG1 3.72Å; V108-V122 HydrophobicContact CG2-CG2 4.35Å; V120-V122 HydrophobicContact CG1-CG2 4.35Å; V122-R124 HydrophobicContact CG1-CG 4.42Å; V122-K176 WeakPolarHBondContact O-CE 3.49Å
123D92.1Very high88.6Confident7 Ų748 Ų484%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-119.3120178.9-171.4-3.1000111.5L107 T125 K176 L177L107-D123 HydrophobicContact CB-CB 4.4Å; L107-D123 PolarHBondContact N-O 2.88Å; L107-D123 WeakPolarHBondContact O-CA 3.32Å; L107-D123 WeakPolarHBondContact O-CB 3.42Å; L107-D123 PolarHBondContact O-N 2.88Å; D123-T125 WeakPolarHBondContact OD1-CB 3.38Å; D123-T125 PolarHBondContact OD1-N 2.83Å; D123-T125 PolarHBondContact OD1-OG1 2.92Å; D123-K176 HydrophobicContact CB-CG 4.48Å; D123-K176 WeakPolarHBondContact OD2-CA 3.49Å; D123-L177 VanDerWaalsContact OD2-CB 3.27Å; D123-L177 WeakPolarHBondContact OD2-CB 3.48Å; D123-L177 VanDerWaalsContact OD2-CG 3.26Å; D123-L177 WeakPolarHBondContact OD2-CG 3.39Å; D123-L177 PolarHBondContact OD2-N 3.42Å
124R93Very high88.8Confident111 Ų11142.7 Ų42.742%0.41925%0.249SC..  trans-106.311.7-179.5-57.8-168.2172.174.7-2112.9E77 V106 V122 L126 V127E77-R124 IonicContact OE1-CZ 3.34Å; E77-R124 IonicContact OE1-NH1 3.48Å; E77-R124 PolarHBondContact OE1-NH1 2.71Å; E77-R124 IonicContact OE1-NH2 3.31Å; E77-R124 PolarHBondContact OE1-NH2 2.95Å; V106-R124 HydrophobicContact CG1-CG 4.44Å; V106-R124 HydrophobicContact CG2-CG 4.04Å; V122-R124 HydrophobicContact CG1-CG 4.42Å; R124-L126 PolarHBondContact O-N 3.03Å; R124-L126 VanDerWaalsContact O-N 3.12Å; R124-V127 HydrophobicContact CB-CB 4.41Å; R124-V127 HydrophobicContact CB-CG2 3.95Å; R124-V127 HydrophobicContact CG-CG2 4.48Å; R124-V127 WeakPolarHBondContact O-CB 3.32Å; R124-V127 PolarHBondContact O-N 2.8Å
125T90.9Very high89.4Confident32 Ų3240.5 Ų40.520%0.19623%0.226CC..THydrogen-bonded Turntrans-60.6-27-172-56.90000113.1D123 R129 L177 I182D123-T125 WeakPolarHBondContact OD1-CB 3.38Å; D123-T125 PolarHBondContact OD1-N 2.83Å; D123-T125 PolarHBondContact OD1-OG1 2.92Å; T125-R129 WeakPolarHBondContact O-CD 3.33Å; T125-L177 HydrophobicContact CG2-CB 4.44Å; T125-L177 PolarHBondContact OG1-O 2.94Å; T125-I182 HydrophobicContact CG2-CD1 3.42Å; T125-I182 VanDerWaalsContact CG2-CD1 3.42Å
126L90Very high89.8Confident2 Ų242 Ų421%0.0123%0.234CC..THydrogen-bonded Turntrans-82.9-22.2176.3-60.1179000113.5M101 R124 G128 R129 L130 I158 L177 I182M101-L126 HydrophobicContact CE-CD1 4.03Å; R124-L126 PolarHBondContact O-N 3.03Å; R124-L126 VanDerWaalsContact O-N 3.12Å; L126-G128 PolarHBondContact O-N 3.49Å; L126-R129 WeakPolarHBondContact O-CB 3.44Å; L126-R129 PolarHBondContact O-N 3.23Å; L126-L130 HydrophobicContact CB-CD2 4.25Å; L126-L130 HydrophobicContact CB-CG 4.38Å; L126-L130 PolarHBondContact O-N 2.71Å; L126-I158 HydrophobicContact CD1-CD1 3.73Å; L126-I158 HydrophobicContact CD2-CD1 3.81Å; L126-I158 HydrophobicContact CD2-CG2 3.97Å; L126-I158 HydrophobicContact CG-CD1 4.37Å; L126-L177 HydrophobicContact CD1-CD1 4.3Å; L126-L177 HydrophobicContact CD2-CD1 4.39Å; L126-L177 HydrophobicContact CG-CD1 4.15Å; L126-I182 HydrophobicContact CD2-CD1 4.21Å; L126-I182 HydrophobicContact CD2-CG2 4.15Å
127V90.9Very high90.2Very high67 Ų6742.4 Ų42.441%0.40624%0.238SC..THydrogen-bonded Turntrans-61.8125.8-177.1-177.10000109.5V106 R124 R129V106-V127 HydrophobicContact CG2-CG2 3.57Å; R124-V127 HydrophobicContact CB-CB 4.41Å; R124-V127 HydrophobicContact CB-CG2 3.95Å; R124-V127 HydrophobicContact CG-CG2 4.48Å; R124-V127 WeakPolarHBondContact O-CB 3.32Å; R124-V127 PolarHBondContact O-N 2.8Å; V127-R129 VanDerWaalsContact C-N 3.26Å; V127-R129 PolarHBondContact O-N 2.98Å
128G87.4Confident90.4Very high77 Ų7741.9 Ų41.979%0.79424%0.235SC*.THydrogen-bonded Turntrans78.8-0.5-176.300000115.4L126L126-G128 PolarHBondContact O-N 3.49Å
129R88.1Confident90.6Very high114 Ų11439.7 Ų39.743%0.4322%0.224SC..THydrogen-bonded Turntrans-105-12.4172-63.5-170.5173.2-164.9-4.6113.6T125 L126 V127 S179T125-R129 WeakPolarHBondContact O-CD 3.33Å; L126-R129 WeakPolarHBondContact O-CB 3.44Å; L126-R129 PolarHBondContact O-N 3.23Å; V127-R129 VanDerWaalsContact C-N 3.26Å; V127-R129 PolarHBondContact O-N 2.98Å; R129-S179 PolarHBondContact NH1-O 2.76Å
130L90.1Very high90.7Very high21 Ų2137.4 Ų37.411%0.1121%0.213CC..SBendtrans-74.6150.6176.6-60.1-176.4000110.4L126 A132 V135 L147 F149 I158L126-L130 HydrophobicContact CB-CD2 4.25Å; L126-L130 HydrophobicContact CB-CG 4.38Å; L126-L130 PolarHBondContact O-N 2.71Å; L130-A132 WeakPolarHBondContact CB-O 3.15Å; L130-A132 PolarHBondContact O-N 3.33Å; L130-V135 HydrophobicContact CD1-CG2 3.76Å; L130-L147 HydrophobicContact CD1-CD1 3.81Å; L130-L147 HydrophobicContact CD2-CD1 3.52Å; L130-L147 HydrophobicContact CG-CD1 4.32Å; L130-F149 HydrophobicContact CB-CE1 3.97Å; L130-F149 HydrophobicContact CB-CZ 4.27Å; L130-F149 HydrophobicContact CD1-CE1 4.17Å; L130-I158 HydrophobicContact CD2-CD1 3.94Å
131P84.6Confident90.5Very high39 Ų3937.6 Ų37.625%0.25322%0.215SC..SBendtrans-68.4-24.9-178.433.3-41.4000112.5F149 Q152 A156P131-F149 VanDerWaalsContact CD-CZ 3.43Å; P131-F149 HydrophobicContact CG-CD2 3.86Å; P131-F149 HydrophobicContact CG-CE1 4.15Å; P131-F149 HydrophobicContact CG-CE2 3.33Å; P131-F149 HydrophobicContact CG-CG 4.49Å; P131-F149 HydrophobicContact CG-CZ 3.51Å; P131-Q152 PolarHBondContact O-NE2 3.41Å; P131-Q152 PolarHBondContact O-OE1 2.92Å; P131-A156 HydrophobicContact CG-CB 4.36Å
132A84.6Confident90Very high9 Ų938.4 Ų38.47%0.07422%0.218CC..SBendtrans-137164.4172.700000111.6L130 F149 Q152L130-A132 WeakPolarHBondContact CB-O 3.15Å; L130-A132 PolarHBondContact O-N 3.33Å; A132-F149 HydrophobicContact CB-CB 3.85Å; A132-F149 HydrophobicContact CB-CD1 3.73Å; A132-F149 HydrophobicContact CB-CG 3.87Å; A132-Q152 HydrophobicContact CB-CB 4.48Å; A132-Q152 HydrophobicContact CB-CG 4.05Å
133N83.9Confident89.4Confident137 Ų13743.4 Ų43.473%0.73324%0.236SC*.SBendtrans-82.5-27.7-173.5-66.2-26000113.5
134T89.8Confident89.2Confident48 Ų4843.2 Ų43.229%0.29424%0.235SC..  trans-112.3101-173.4-44.50000110.2F149 L150 E151T134-F149 WeakPolarHBondContact O-CA 3.46Å; T134-L150 HydrophobicContact CG2-CB 4.26Å; T134-L150 HydrophobicContact CG2-CD2 4.35Å; T134-L150 PolarHBondContact O-N 3.3Å; T134-L150 VanDerWaalsContact O-N 3.09Å; T134-E151 WeakPolarHBondContact CB-OE1 3.45Å; T134-E151 PolarHBondContact OG1-OE1 3.32Å
135V93.9Very high89.2Confident2 Ų238.1 Ų38.11%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-69.9131.5167.6-178.30000108.6V88 S103 L130 D137 A138 L147 S148 F149V88-V135 HydrophobicContact CG2-CG1 3.94Å; S103-V135 WeakPolarHBondContact O-CB 3.42Å; S103-V135 PolarHBondContact O-N 2.76Å; L130-V135 HydrophobicContact CD1-CG2 3.76Å; V135-D137 WeakPolarHBondContact CG1-O 3.3Å; V135-A138 HydrophobicContact CG1-CB 4.46Å; V135-L147 HydrophobicContact CG1-CB 4.33Å; V135-L147 HydrophobicContact CG1-CD2 3.97Å; V135-L147 HydrophobicContact CG2-CD1 4.33Å; V135-S148 WeakPolarHBondContact CA-O 3.34Å; V135-F149 HydrophobicContact CG2-CD1 4.33Å; V135-F149 HydrophobicContact CG2-CE1 3.94Å
136T92.3Very high89.3Confident36 Ų3636.8 Ų36.822%0.22121%0.208CC..EExtended strand (participates in β ladder)trans-102.2-37.2178.742.40000113S148 F149 L150T136-S148 PolarHBondContact N-O 3.48Å; T136-S148 PolarHBondContact OG1-O 2.8Å; T136-S148 PolarHBondContact OG1-OG 3Å; T136-S148 VanDerWaalsContact OG1-OG 3.06Å; T136-F149 PolarHBondContact OG1-N 3.08Å; T136-L150 HydrophobicContact CG2-CB 3.46Å; T136-L150 VanDerWaalsContact CG2-CB 3.46Å; T136-L150 HydrophobicContact CG2-CD1 3.87Å; T136-L150 HydrophobicContact CG2-CG 4.22Å
137D94.9Very high89.5Confident29 Ų2936.7 Ų36.716%0.15521%0.207CC..EExtended strand (participates in β ladder)trans-147.5157.8174.9-166.121.7000110.4V135 S148 R198 R199 V200V135-D137 WeakPolarHBondContact CG1-O 3.3Å; D137-S148 WeakPolarHBondContact CB-OG 3.16Å; D137-S148 PolarHBondContact N-OG 3.07Å; D137-S148 VanDerWaalsContact N-OG 3.1Å; D137-S148 PolarHBondContact O-N 3.15Å; D137-S148 PolarHBondContact O-OG 3.41Å; D137-R198 WeakPolarHBondContact CB-O 3.24Å; D137-R199 WeakPolarHBondContact OD2-CA 3.31Å; D137-R199 WeakPolarHBondContact OD2-CB 3.16Å; D137-V200 HydrophobicContact CB-CG2 4.18Å; D137-V200 PolarHBondContact OD2-N 3.16Å
138A95.4Very high89.7Confident0 Ų033.5 Ų33.50%019%0.188CC..EExtended strand (participates in β ladder)trans-148153.5-177.200000112.2V88 H89 M101 V135 L146 L147V88-A138 HydrophobicContact CG2-CB 4.1Å; H89-A138 HydrophobicContact CB-CB 3.81Å; H89-A138 PolarHBondContact CE1-O 3.28Å; H89-A138 PolarHBondContact ND1-O 3.26Å; M101-A138 HydrophobicContact CB-CB 4.09Å; M101-A138 HydrophobicContact CG-CB 3.95Å; V135-A138 HydrophobicContact CG1-CB 4.46Å; A138-L146 CarbonylContact C-O 3.6Å; A138-L146 WeakPolarHBondContact CA-O 3.3Å; A138-L147 HydrophobicContact CB-CD2 3.48Å; A138-L147 VanDerWaalsContact CB-CD2 3.48Å
139V93.8Very high89.9Confident22 Ų2229.8 Ų29.813%0.13315%0.15CC..EExtended strand (participates in β ladder)trans-130.3129.6165-178.20000108.7V145 L146 V200 L202V139-V145 WeakPolarHBondContact O-CA 3.24Å; V139-L146 HydrophobicContact CB-CB 4.34Å; V139-L146 PolarHBondContact N-O 3.26Å; V139-L146 PolarHBondContact O-N 3.4Å; V139-V200 HydrophobicContact CG2-CB 4.39Å; V139-V200 HydrophobicContact CG2-CG2 4.04Å; V139-V200 WeakPolarHBondContact CG2-O 3.37Å; V139-L202 HydrophobicContact CG1-CB 3.77Å; V139-L202 HydrophobicContact CG1-CD2 4.48Å
140L91.3Very high89.8Confident8 Ų827 Ų274%0.04214%0.144CC..EExtended strand (participates in β ladder)trans-102.2130.1177.4-57.8177.1000109.7R91 Q99 M101 L107 V145R91-L140 HydrophobicContact CB-CB 4.27Å; R91-L140 HydrophobicContact CB-CD1 4.33Å; R91-L140 WeakPolarHBondContact CD-O 3.34Å; R91-L140 PolarHBondContact NE-O 3.23Å; R91-L140 PolarHBondContact NH1-O 3.03Å; Q99-L140 HydrophobicContact CB-CD1 3.81Å; M101-L140 HydrophobicContact CE-CD2 3.87Å; L107-L140 HydrophobicContact CD1-CD1 3.95Å; L107-L140 HydrophobicContact CD1-CD2 4.25Å; L140-V145 HydrophobicContact CD2-CB 4.29Å; L140-V145 HydrophobicContact CD2-CG1 3.69Å; L140-V145 HydrophobicContact CD2-CG2 3.73Å
141S87.7Confident89.5Confident7 Ų730.3 Ų30.35%0.04916%0.158CC..  trans-129.6169.2168105.70000109.7R91 R143 L144 Q206R91-S141 PolarHBondContact NH1-O 2.96Å; S141-R143 PolarHBondContact O-N 2.87Å; S141-R143 PolarHBondContact OG-N 2.92Å; S141-L144 WeakPolarHBondContact CA-O 3.4Å; S141-L144 VanDerWaalsContact CB-O 3.27Å; S141-L144 WeakPolarHBondContact CB-O 3.27Å; S141-L144 PolarHBondContact N-O 3.48Å; S141-L144 PolarHBondContact OG-N 3.36Å; S141-L144 PolarHBondContact OG-O 3.22Å; S141-L144 VanDerWaalsContact OG-O 3.07Å; S141-Q206 VanDerWaalsContact OG-CD 3.28Å; S141-Q206 PolarHBondContact OG-OE1 2.76Å
142D81.7Confident89.4Confident29 Ų2931.5 Ų31.516%0.15516%0.161CC..SBendtrans-69.4-18.6176.8-59.1-65.7000113.1R91 R93 Q165 L420R91-D142 IonicContact CZ-OD2 3.09Å; R91-D142 IonicContact NH1-OD1 3.57Å; R91-D142 IonicContact NH2-OD1 3.94Å; R91-D142 IonicContact NH2-OD2 3.9Å; R91-D142 PolarHBondContact NH2-OD2 3Å; R93-D142 IonicContact CZ-OD1 2.7Å; R93-D142 IonicContact NE-OD1 3.81Å; R93-D142 PolarHBondContact NE-OD1 3.01Å; R93-D142 IonicContact NH2-OD1 2.65Å; R93-D142 PolarHBondContact NH2-OD1 3.35Å; D142-Q165 PolarHBondContact O-NE2 2.73Å; D142-L420 VanDerWaalsContact OD2-CD1 3.27Å; D142-L420 WeakPolarHBondContact OD2-CD1 3.04Å
143R81.8Confident89.4Confident115 Ų11531.9 Ų31.943%0.43416%0.163SC..SBendtrans-116.4-23.2-175.9-59.9-178.7-175.9177.35.6113.6S141 L160 K162S141-R143 PolarHBondContact O-N 2.87Å; S141-R143 PolarHBondContact OG-N 2.92Å; R143-L160 PolarHBondContact O-N 2.85Å; R143-K162 VanDerWaalsContact CZ-NZ 3.34Å; R143-K162 VanDerWaalsContact NH2-NZ 3.16Å
144L87.4Confident89.6Confident3 Ų327.3 Ų27.32%0.01614%0.137CC..EExtended strand (participates in β ladder)trans-144.3133.8-170.1179.665.6000109.7S141 L146 I158 Y159 L202 C240S141-L144 WeakPolarHBondContact CA-O 3.4Å; S141-L144 VanDerWaalsContact CB-O 3.27Å; S141-L144 WeakPolarHBondContact CB-O 3.27Å; S141-L144 PolarHBondContact N-O 3.48Å; S141-L144 PolarHBondContact OG-N 3.36Å; S141-L144 PolarHBondContact OG-O 3.22Å; S141-L144 VanDerWaalsContact OG-O 3.07Å; L144-L146 HydrophobicContact CD1-CD2 4.48Å; L144-L146 HydrophobicContact CD2-CD1 4.1Å; L144-L146 HydrophobicContact CD2-CD2 4.05Å; L144-L146 HydrophobicContact CD2-CG 3.89Å; L144-L146 HydrophobicContact CG-CD2 4.33Å; L144-L146 HydrophobicContact CG-CG 4.06Å; L144-I158 WeakPolarHBondContact CA-O 3.49Å; L144-Y159 HydrophobicContact CD1-CD1 3.9Å; L144-Y159 HydrophobicContact CD1-CD2 4.31Å; L144-Y159 HydrophobicContact CD1-CE1 3.82Å; L144-Y159 HydrophobicContact CD1-CE2 4.23Å; L144-Y159 HydrophobicContact CD1-CG 4.16Å; L144-L202 HydrophobicContact CD2-CD1 4.04Å; L144-L202 HydrophobicContact CD2-CD2 4.14Å; L144-C240 HydrophobicContact CD2-CB 3.72Å
145V91.8Very high89.7Confident4 Ų425.1 Ų25.12%0.02412%0.124CC..EExtended strand (participates in β ladder)trans-110.5126.1163.71740000108.3M101 V139 L140 L147 I158 L160M101-V145 HydrophobicContact CE-CG1 4.16Å; V139-V145 WeakPolarHBondContact O-CA 3.24Å; L140-V145 HydrophobicContact CD2-CB 4.29Å; L140-V145 HydrophobicContact CD2-CG1 3.69Å; L140-V145 HydrophobicContact CD2-CG2 3.73Å; V145-L147 HydrophobicContact CG1-CD2 3.79Å; V145-L147 HydrophobicContact CG1-CG 4.02Å; V145-I158 HydrophobicContact CB-CB 4.06Å; V145-I158 HydrophobicContact CB-CD1 4.27Å; V145-I158 HydrophobicContact CG1-CD1 4.12Å; V145-I158 PolarHBondContact N-O 2.69Å; V145-I158 PolarHBondContact O-N 2.92Å; V145-L160 HydrophobicContact CG2-CD1 4.31Å
146L93.5Very high89.6Confident3 Ų325 Ų252%0.01612%0.123CC..EExtended strand (participates in β ladder)trans-106.2134.6174.8-71.4167.6000109.6A138 V139 L144 V155 A156 L202 A209A138-L146 CarbonylContact C-O 3.6Å; A138-L146 WeakPolarHBondContact CA-O 3.3Å; V139-L146 HydrophobicContact CB-CB 4.34Å; V139-L146 PolarHBondContact N-O 3.26Å; V139-L146 PolarHBondContact O-N 3.4Å; L144-L146 HydrophobicContact CD1-CD2 4.48Å; L144-L146 HydrophobicContact CD2-CD1 4.1Å; L144-L146 HydrophobicContact CD2-CD2 4.05Å; L144-L146 HydrophobicContact CD2-CG 3.89Å; L144-L146 HydrophobicContact CG-CD2 4.33Å; L144-L146 HydrophobicContact CG-CG 4.06Å; L146-V155 HydrophobicContact CD2-CG1 4.21Å; L146-A156 CarbonylContact C-O 3.58Å; L146-A156 WeakPolarHBondContact CA-O 3.4Å; L146-L202 HydrophobicContact CD1-CB 4.1Å; L146-L202 HydrophobicContact CD1-CD1 3.8Å; L146-L202 HydrophobicContact CD1-CD2 4.37Å; L146-L202 HydrophobicContact CD1-CG 4.31Å; L146-A209 HydrophobicContact CD1-CB 3.46Å; L146-A209 VanDerWaalsContact CD1-CB 3.46Å; L146-A209 HydrophobicContact CD2-CB 4.38Å
147L95.1Very high89.5Confident0 Ų023.4 Ų23.40%011%0.113CC..EExtended strand (participates in β ladder)trans-134138.4-179.7-54.9176000110.2M101 L130 V135 A138 V145 F149 V155 A156 I158M101-L147 HydrophobicContact CE-CD2 4.3Å; M101-L147 HydrophobicContact CG-CD2 4.12Å; M101-L147 HydrophobicContact SD-CD2 4.48Å; L130-L147 HydrophobicContact CD1-CD1 3.81Å; L130-L147 HydrophobicContact CD2-CD1 3.52Å; L130-L147 HydrophobicContact CG-CD1 4.32Å; V135-L147 HydrophobicContact CG1-CB 4.33Å; V135-L147 HydrophobicContact CG1-CD2 3.97Å; V135-L147 HydrophobicContact CG2-CD1 4.33Å; A138-L147 HydrophobicContact CB-CD2 3.48Å; A138-L147 VanDerWaalsContact CB-CD2 3.48Å; V145-L147 HydrophobicContact CG1-CD2 3.79Å; V145-L147 HydrophobicContact CG1-CG 4.02Å; L147-F149 HydrophobicContact CB-CE1 4.42Å; L147-F149 HydrophobicContact CB-CE2 4.26Å; L147-F149 HydrophobicContact CB-CZ 3.81Å; L147-F149 HydrophobicContact CD1-CZ 4.38Å; L147-V155 CarbonylContact O-C 3.55Å; L147-V155 WeakPolarHBondContact O-CA 3.48Å; L147-A156 PolarHBondContact N-O 3.39Å; L147-A156 PolarHBondContact O-N 3.35Å; L147-I158 HydrophobicContact CD1-CD1 3.51Å; L147-I158 HydrophobicContact CG-CD1 4.15Å
148S94Very high89.2Confident0 Ų022 Ų220%011%0.106CC..EExtended strand (participates in β ladder)trans-108.5160.6164.860.60000110.6V135 T136 D137 R198V135-S148 WeakPolarHBondContact CA-O 3.34Å; T136-S148 PolarHBondContact N-O 3.48Å; T136-S148 PolarHBondContact OG1-O 2.8Å; T136-S148 PolarHBondContact OG1-OG 3Å; T136-S148 VanDerWaalsContact OG1-OG 3.06Å; D137-S148 WeakPolarHBondContact CB-OG 3.16Å; D137-S148 PolarHBondContact N-OG 3.07Å; D137-S148 VanDerWaalsContact N-OG 3.1Å; D137-S148 PolarHBondContact O-N 3.15Å; D137-S148 PolarHBondContact O-OG 3.41Å; S148-R198 WeakPolarHBondContact CB-O 3.46Å; S148-R198 PolarHBondContact OG-O 2.72Å
149F91.9Very high88.7Confident0 Ų024 Ų240%011%0.113CC..EExtended strand (participates in β ladder)trans-128.4152.3-173.7-56-80.6000112L130 P131 A132 T134 V135 T136 L147 Q152 Q154 A156L130-F149 HydrophobicContact CB-CE1 3.97Å; L130-F149 HydrophobicContact CB-CZ 4.27Å; L130-F149 HydrophobicContact CD1-CE1 4.17Å; P131-F149 VanDerWaalsContact CD-CZ 3.43Å; P131-F149 HydrophobicContact CG-CD2 3.86Å; P131-F149 HydrophobicContact CG-CE1 4.15Å; P131-F149 HydrophobicContact CG-CE2 3.33Å; P131-F149 HydrophobicContact CG-CG 4.49Å; P131-F149 HydrophobicContact CG-CZ 3.51Å; A132-F149 HydrophobicContact CB-CB 3.85Å; A132-F149 HydrophobicContact CB-CD1 3.73Å; A132-F149 HydrophobicContact CB-CG 3.87Å; T134-F149 WeakPolarHBondContact O-CA 3.46Å; V135-F149 HydrophobicContact CG2-CD1 4.33Å; V135-F149 HydrophobicContact CG2-CE1 3.94Å; T136-F149 PolarHBondContact OG1-N 3.08Å; L147-F149 HydrophobicContact CB-CE1 4.42Å; L147-F149 HydrophobicContact CB-CE2 4.26Å; L147-F149 HydrophobicContact CB-CZ 3.81Å; L147-F149 HydrophobicContact CD1-CZ 4.38Å; F149-Q152 HydrophobicContact CB-CB 4.35Å; F149-Q154 WeakPolarHBondContact CD2-O 3.23Å; F149-A156 HydrophobicContact CE2-CB 3.6Å; F149-A156 HydrophobicContact CZ-CB 3.81Å
150L86.1Confident88.1Confident56 Ų5624.6 Ų24.629%0.29312%0.116SC..SBendtrans-75.6-45.5179.2-173.161000111.8T134 T136 G195T134-L150 HydrophobicContact CG2-CB 4.26Å; T134-L150 HydrophobicContact CG2-CD2 4.35Å; T134-L150 PolarHBondContact O-N 3.3Å; T134-L150 VanDerWaalsContact O-N 3.09Å; T136-L150 HydrophobicContact CG2-CB 3.46Å; T136-L150 VanDerWaalsContact CG2-CB 3.46Å; T136-L150 HydrophobicContact CG2-CD1 3.87Å; T136-L150 HydrophobicContact CG2-CG 4.22Å; L150-G195 PolarHBondContact O-N 2.98Å
151E84.1Confident86.9Confident90 Ų9026.7 Ų26.742%0.42113%0.127SC..SBendtrans-86.2-19.7-170.9-56.583.8178.300112.8T134T134-E151 WeakPolarHBondContact CB-OE1 3.45Å; T134-E151 PolarHBondContact OG1-OE1 3.32Å
152Q82.4Confident85.4Confident64 Ų6430.9 Ų30.930%0.29914%0.144SC..  trans-122.9141.5-173.8-67.7-177.75.200112P131 A132 F149 Q154 R198P131-Q152 PolarHBondContact O-NE2 3.41Å; P131-Q152 PolarHBondContact O-OE1 2.92Å; A132-Q152 HydrophobicContact CB-CB 4.48Å; A132-Q152 HydrophobicContact CB-CG 4.05Å; F149-Q152 HydrophobicContact CB-CB 4.35Å; Q152-Q154 PolarHBondContact O-N 3.22Å; Q152-R198 PolarHBondContact O-NH1 3.42Å
153S85.3Confident84Confident17 Ų1738.3 Ų38.312%0.11918%0.175CC..SBendtrans-78.126.3175.4-57.80000113.7V189 P192 R198S153-V189 WeakPolarHBondContact CB-O 3.37Å; S153-V189 PolarHBondContact O-N 2.84Å; S153-P192 PolarHBondContact OG-O 2.9Å; S153-R198 PolarHBondContact OG-NH2 3.35Å
154Q87.8Confident82.1Confident40 Ų4035.8 Ų35.819%0.18718%0.175CC..EExtended strand (participates in β ladder)trans-106.8151.6-177.4-66.9-177.65.400111.9F149 Q152 C186 V187 E188F149-Q154 WeakPolarHBondContact CD2-O 3.23Å; Q152-Q154 PolarHBondContact O-N 3.22Å; Q154-C186 HydrophobicContact CB-CB 4.39Å; Q154-C186 VanDerWaalsContact OE1-CB 3.26Å; Q154-V187 CarbonylContact C-O 3.56Å; Q154-V187 VanDerWaalsContact CA-O 3.23Å; Q154-V187 WeakPolarHBondContact CA-O 3.2Å; Q154-E188 HydrophobicContact CG-CG 4.2Å; Q154-E188 WeakPolarHBondContact CG-OE1 3.49Å; Q154-E188 PolarHBondContact NE2-OE1 2.82Å
155V91.3Very high80.1Confident3 Ų339 Ų392%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-112.8128.7162166.50000108.3L146 L147 C186 V187 V189 V200 C211 I238L146-V155 HydrophobicContact CD2-CG1 4.21Å; L147-V155 CarbonylContact O-C 3.55Å; L147-V155 WeakPolarHBondContact O-CA 3.48Å; V155-C186 CarbonylContact O-C 3.58Å; V155-C186 WeakPolarHBondContact O-CA 3.45Å; V155-V187 PolarHBondContact N-O 3.31Å; V155-V187 PolarHBondContact O-N 2.79Å; V155-V189 HydrophobicContact CB-CG2 3.87Å; V155-V189 HydrophobicContact CG2-CG2 3.54Å; V155-V200 HydrophobicContact CG1-CG1 4.2Å; V155-V200 HydrophobicContact CG2-CG1 3.87Å; V155-C211 HydrophobicContact CG2-CB 4.21Å; V155-I238 HydrophobicContact CB-CD1 4.03Å; V155-I238 HydrophobicContact CG1-CD1 4.11Å; V155-I238 HydrophobicContact CG2-CD1 4.34Å
156A91.7Very high77.3Confident0 Ų045.9 Ų45.90%023%0.227CC..EExtended strand (participates in β ladder)trans-98.7126.9176.800000110.5P131 L146 L147 F149 V184 M185P131-A156 HydrophobicContact CG-CB 4.36Å; L146-A156 CarbonylContact C-O 3.58Å; L146-A156 WeakPolarHBondContact CA-O 3.4Å; L147-A156 PolarHBondContact N-O 3.39Å; L147-A156 PolarHBondContact O-N 3.35Å; F149-A156 HydrophobicContact CE2-CB 3.6Å; F149-A156 HydrophobicContact CZ-CB 3.81Å; A156-V184 HydrophobicContact CB-CG1 4.27Å; A156-M185 CarbonylContact C-O 3.59Å; A156-M185 WeakPolarHBondContact CA-O 3.34Å
157G90.7Very high74.5Confident1 Ų149 Ų491%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-101.7124.6166.200000110.6M185G157-M185 PolarHBondContact N-O 3.39Å; G157-M185 PolarHBondContact O-N 3.08Å
158I89.4Confident71.8Confident0 Ų057.3 Ų57.30%029%0.292CS..EExtended strand (participates in β ladder)trans-112.8104.6-178.2-57.5167.7000107.3L126 L130 L144 V145 L147 L160 I182 V184L126-I158 HydrophobicContact CD1-CD1 3.73Å; L126-I158 HydrophobicContact CD2-CD1 3.81Å; L126-I158 HydrophobicContact CD2-CG2 3.97Å; L126-I158 HydrophobicContact CG-CD1 4.37Å; L130-I158 HydrophobicContact CD2-CD1 3.94Å; L144-I158 WeakPolarHBondContact CA-O 3.49Å; V145-I158 HydrophobicContact CB-CB 4.06Å; V145-I158 HydrophobicContact CB-CD1 4.27Å; V145-I158 HydrophobicContact CG1-CD1 4.12Å; V145-I158 PolarHBondContact N-O 2.69Å; V145-I158 PolarHBondContact O-N 2.92Å; L147-I158 HydrophobicContact CD1-CD1 3.51Å; L147-I158 HydrophobicContact CG-CD1 4.15Å; I158-L160 HydrophobicContact CG2-CD2 4.33Å; I158-I182 HydrophobicContact CG2-CG2 3.48Å; I158-I182 VanDerWaalsContact CG2-CG2 3.48Å; I158-V184 HydrophobicContact CG1-CG1 4.33Å; I158-V184 HydrophobicContact CG1-CG2 4.29Å
159Y84.7Confident68.8Low42 Ų4265.1 Ų65.117%0.16533%0.329CS..EExtended strand (participates in β ladder)trans-84.8128.9-178-64.5-90.7000110.6L144 K183 M185 C240L144-Y159 HydrophobicContact CD1-CD1 3.9Å; L144-Y159 HydrophobicContact CD1-CD2 4.31Å; L144-Y159 HydrophobicContact CD1-CE1 3.82Å; L144-Y159 HydrophobicContact CD1-CE2 4.23Å; L144-Y159 HydrophobicContact CD1-CG 4.16Å; Y159-K183 PolarHBondContact N-O 3.45Å; Y159-K183 VanDerWaalsContact N-O 3.15Å; Y159-M185 HydrophobicContact CD2-CG 4.49Å; Y159-M185 HydrophobicContact CE2-CG 4.36Å; Y159-C240 WeakPolarHBondContact OH-CA 3.2Å
160L80.4Confident66Low35 Ų3571.5 Ų71.518%0.18337%0.368CS..PPolyproline II helixtrans-99.2126.3-179.6-54.1-178000109.1R143 V145 I158 L177R143-L160 PolarHBondContact O-N 2.85Å; V145-L160 HydrophobicContact CG2-CD1 4.31Å; I158-L160 HydrophobicContact CG2-CD2 4.33Å; L160-L177 HydrophobicContact CD1-CD2 4.35Å; L160-L177 HydrophobicContact CD2-CD2 3.68Å
161N67.3Low63.7Low51 Ų5172 Ų7227%0.27339%0.386SS..PPolyproline II helixtrans-75.8131.7-178.4-161.1-27.6000111.4K163 E181N161-K163 PolarHBondContact O-N 2.91Å; N161-K163 PolarHBondContact OD1-N 2.89Å; N161-E181 HydrophobicContact CB-CB 4Å; N161-E181 HydrophobicContact CB-CG 4.3Å
162K56Low61.8Low96 Ų9678.5 Ų78.542%0.41741%0.407SS..G310 helixtrans-65-18.3-178.2-79.1-175172.8-175.50114.9R143 S164 Q165R143-K162 VanDerWaalsContact CZ-NZ 3.34Å; R143-K162 VanDerWaalsContact NH2-NZ 3.16Å; K162-S164 PolarHBondContact O-N 2.74Å; K162-Q165 PolarHBondContact O-N 3.3Å
163K50.5Low60Low184 Ų18484.8 Ų84.880%0.843%0.428SS*.G310 helixtrans-58.4-12.3-171-73.3-176.7179.6178.70115.1N161N161-K163 PolarHBondContact O-N 2.91Å; N161-K163 PolarHBondContact OD1-N 2.89Å
164S43.9Very low58.4Low63 Ų6388.4 Ų88.444%0.44145%0.45SS..G310 helixtrans-104.4-6177.468.40000115.6K162K162-S164 PolarHBondContact O-N 2.74Å
165Q43.7Very low57Low71 Ų7189.2 Ų89.233%0.33246%0.455SS..THydrogen-bonded Turntrans-100.1-21.1-170-80.3-178.7-7.200115.9D142 K162 S167D142-Q165 PolarHBondContact O-NE2 2.73Å; K162-Q165 PolarHBondContact O-N 3.3Å; Q165-S167 PolarHBondContact O-N 2.87Å
166D34Very low56Low147 Ų14794.5 Ų94.579%0.78648%0.478SS*.SBendtrans-77.2-0.4-174.2-72.1-26000114.7L168D166-L168 PolarHBondContact O-N 2.81Å
167S35.1Very low55.2Low69 Ų6996 Ų9648%0.48349%0.486SS..  trans-94.481.5172.868.70000110.9Q165 E169Q165-S167 PolarHBondContact O-N 2.87Å; S167-E169 PolarHBondContact O-N 2.84Å
168L37.6Very low54.3Low174 Ų17498 Ų9891%0.91150%0.5SS*.  trans-70.526.3165.4-105144.6000112.6D166 T170D166-L168 PolarHBondContact O-N 2.81Å; L168-T170 PolarHBondContact O-N 2.81Å
169E30.6Very low53.1Low165 Ų165100.8 Ų100.877%0.77152%0.519SS*.  trans-89.9107.7173.1-69.8-151.3165.500110.2S167 G171S167-E169 PolarHBondContact O-N 2.84Å; E169-G171 PolarHBondContact O-N 3.04Å
170T33.2Very low51.9Low133 Ų133104.3 Ų104.382%0.81655%0.55SS*.SBendtrans28.590.1147.333.90000116.9L168L168-T170 PolarHBondContact O-N 2.81Å
171G38.7Very low51.3Low66 Ų66106.1 Ų106.168%0.6856%0.557SS**SBendtrans72.3129.4144.900000117.1E169E169-G171 PolarHBondContact O-N 3.04Å
172R43.3Very low51.7Low228 Ų228104.7 Ų104.786%0.8655%0.55SS*.  trans87.339.3160.9-46.7174175-170.5-0117.9
173R45Very low53Low195 Ų195104.6 Ų104.674%0.73655%0.549SS*.  trans-103.7134.1153.4-92.5-173.9172.9-172.1-0.8110.4D175R173-D175 PolarHBondContact O-N 2.85Å
174T51.3Low54.7Low94 Ų9497.5 Ų97.558%0.57752%0.521SS*.  trans-65.1119.6177.845.20000109.3K176T174-K176 PolarHBondContact O-N 2.93Å
175D59.3Low56.8Low57 Ų5796.7 Ų96.731%0.30551%0.511SS..  trans-61.319.4170.5-82.3-39.5000113.9R93 T109 R173R93-D175 IonicContact NH1-OD1 3.46Å; T109-D175 HydrophobicContact CG2-CB 4.28Å; R173-D175 PolarHBondContact O-N 2.85Å
176K70.6Confident58.9Low114 Ų11494.6 Ų94.650%0.49650%0.504SS..PPolyproline II helixtrans-77.1130.7176.4-66.7-168.3177.1-1670109.5C121 V122 D123 T174 S178C121-K176 WeakPolarHBondContact SG-CG 3.49Å; V122-K176 WeakPolarHBondContact O-CE 3.49Å; D123-K176 HydrophobicContact CB-CG 4.48Å; D123-K176 WeakPolarHBondContact OD2-CA 3.49Å; T174-K176 PolarHBondContact O-N 2.93Å; K176-S178 PolarHBondContact O-N 3.37Å
177L74.8Confident61.5Low30 Ų3088.1 Ų88.116%0.15747%0.47CS..PPolyproline II helixtrans-61.6131.5174-57.6175.2000109.7L107 D123 T125 L126 L160 S179 I182L107-L177 HydrophobicContact CD2-CD1 3.97Å; L107-L177 HydrophobicContact CD2-CG 4.21Å; D123-L177 VanDerWaalsContact OD2-CB 3.27Å; D123-L177 WeakPolarHBondContact OD2-CB 3.48Å; D123-L177 VanDerWaalsContact OD2-CG 3.26Å; D123-L177 WeakPolarHBondContact OD2-CG 3.39Å; D123-L177 PolarHBondContact OD2-N 3.42Å; T125-L177 HydrophobicContact CG2-CB 4.44Å; T125-L177 PolarHBondContact OG1-O 2.94Å; L126-L177 HydrophobicContact CD1-CD1 4.3Å; L126-L177 HydrophobicContact CD2-CD1 4.39Å; L126-L177 HydrophobicContact CG-CD1 4.15Å; L160-L177 HydrophobicContact CD1-CD2 4.35Å; L160-L177 HydrophobicContact CD2-CD2 3.68Å; L177-S179 PolarHBondContact O-N 2.98Å; L177-I182 HydrophobicContact CB-CD1 3.59Å; L177-I182 HydrophobicContact CB-CG1 4.34Å; L177-I182 HydrophobicContact CD1-CD1 4.18Å; L177-I182 HydrophobicContact CG-CD1 4.47Å
178S70.6Confident64Low44 Ų4490.2 Ų90.231%0.30847%0.472SS..PPolyproline II helixtrans-78.7120.5176.1171.70000109.8K176 S180 E181 I182K176-S178 PolarHBondContact O-N 3.37Å; S178-S180 PolarHBondContact O-N 3.05Å; S178-S180 VanDerWaalsContact O-N 3.13Å; S178-E181 VanDerWaalsContact CB-OE1 3.3Å; S178-E181 WeakPolarHBondContact CB-OE1 3.04Å; S178-E181 PolarHBondContact O-N 3.08Å; S178-E181 VanDerWaalsContact OG-CD 3.29Å; S178-E181 PolarHBondContact OG-OE1 2.85Å; S178-I182 WeakPolarHBondContact O-CG1 3.46Å
179S64.2Low66.1Low59 Ų5982 Ų8241%0.41343%0.429SS..THydrogen-bonded Turntrans-63.4-22.8-17478.70000114R129 L177R129-S179 PolarHBondContact NH1-O 2.76Å; L177-S179 PolarHBondContact O-N 2.98Å
180S60.2Low68Low115 Ų11575.7 Ų75.780%0.80441%0.408SS*.THydrogen-bonded Turntrans-83.6-12.9177.1-53.70000113.5S178S178-S180 PolarHBondContact O-N 3.05Å; S178-S180 VanDerWaalsContact O-N 3.13Å
181E67.5Low69.7Low73 Ų7369.7 Ų69.734%0.34137%0.373SS..THydrogen-bonded Turntrans-105.5-6.6-173.6-70.5165-141.800113.2N161 S178N161-E181 HydrophobicContact CB-CB 4Å; N161-E181 HydrophobicContact CB-CG 4.3Å; S178-E181 VanDerWaalsContact CB-OE1 3.3Å; S178-E181 WeakPolarHBondContact CB-OE1 3.04Å; S178-E181 PolarHBondContact O-N 3.08Å; S178-E181 VanDerWaalsContact OG-CD 3.29Å; S178-E181 PolarHBondContact OG-OE1 2.85Å
182I76.4Confident70.7Confident22 Ų2268 Ų6811%0.11335%0.35CS..  trans-93.1123.2-175.9-62.3166.3000110.7T125 L126 I158 L177 S178 V184T125-I182 HydrophobicContact CG2-CD1 3.42Å; T125-I182 VanDerWaalsContact CG2-CD1 3.42Å; L126-I182 HydrophobicContact CD2-CD1 4.21Å; L126-I182 HydrophobicContact CD2-CG2 4.15Å; I158-I182 HydrophobicContact CG2-CG2 3.48Å; I158-I182 VanDerWaalsContact CG2-CG2 3.48Å; L177-I182 HydrophobicContact CB-CD1 3.59Å; L177-I182 HydrophobicContact CB-CG1 4.34Å; L177-I182 HydrophobicContact CD1-CD1 4.18Å; L177-I182 HydrophobicContact CG-CD1 4.47Å; S178-I182 WeakPolarHBondContact O-CG1 3.46Å; I182-V184 HydrophobicContact CG2-CG2 4.07Å
183K81.8Confident71.4Confident93 Ų9360.3 Ų60.340%0.40434%0.342SS..EExtended strand (participates in β ladder)trans-114.1111.3170.5-173.6171.2178.1-1790109.8Y159 M185Y159-K183 PolarHBondContact N-O 3.45Å; Y159-K183 VanDerWaalsContact N-O 3.15Å; K183-M185 HydrophobicContact CD-CE 4.04Å; K183-M185 HydrophobicContact CD-SD 4.4Å; K183-M185 WeakPolarHBondContact CE-SD 3.19Å; K183-M185 HydrophobicContact CG-CE 3.63Å; K183-M185 HydrophobicContact CG-CG 4.1Å; K183-M185 HydrophobicContact CG-SD 4.32Å
184V86.7Confident72.2Confident36 Ų3652.8 Ų52.822%0.21833%0.325CS..EExtended strand (participates in β ladder)trans-89.3125.1175.3-172.20000108.8A156 I158 I182A156-V184 HydrophobicContact CB-CG1 4.27Å; I158-V184 HydrophobicContact CG1-CG1 4.33Å; I158-V184 HydrophobicContact CG1-CG2 4.29Å; I182-V184 HydrophobicContact CG2-CG2 4.07Å
185M87.9Confident73.1Confident45 Ų4550.9 Ų50.922%0.22232%0.324CS..EExtended strand (participates in β ladder)trans-131.3132.4178.4-59.8-86.2105.500109.8A156 G157 Y159 K183 P248A156-M185 CarbonylContact C-O 3.59Å; A156-M185 WeakPolarHBondContact CA-O 3.34Å; G157-M185 PolarHBondContact N-O 3.39Å; G157-M185 PolarHBondContact O-N 3.08Å; Y159-M185 HydrophobicContact CD2-CG 4.49Å; Y159-M185 HydrophobicContact CE2-CG 4.36Å; K183-M185 HydrophobicContact CD-CE 4.04Å; K183-M185 HydrophobicContact CD-SD 4.4Å; K183-M185 WeakPolarHBondContact CE-SD 3.19Å; K183-M185 HydrophobicContact CG-CE 3.63Å; K183-M185 HydrophobicContact CG-CG 4.1Å; K183-M185 HydrophobicContact CG-SD 4.32Å; M185-P248 HydrophobicContact CB-CG 3.82Å
186C88.2Confident74Confident28 Ų2848.3 Ų48.319%0.18931%0.31CS..EExtended strand (participates in β ladder)trans-110.4146-178-54.70000112.5Q154 V155 K247Q154-C186 HydrophobicContact CB-CB 4.39Å; Q154-C186 VanDerWaalsContact OE1-CB 3.26Å; V155-C186 CarbonylContact O-C 3.58Å; V155-C186 WeakPolarHBondContact O-CA 3.45Å; C186-K247 WeakPolarHBondContact O-CE 3.34Å
187V89Confident74.8Confident10 Ų1051.3 Ų51.36%0.06132%0.318CS..EExtended strand (participates in β ladder)trans-118.7132.2168.5165.50000109Q154 V155 V189 I238 P248Q154-V187 CarbonylContact C-O 3.56Å; Q154-V187 VanDerWaalsContact CA-O 3.23Å; Q154-V187 WeakPolarHBondContact CA-O 3.2Å; V155-V187 PolarHBondContact N-O 3.31Å; V155-V187 PolarHBondContact O-N 2.79Å; V187-V189 PolarHBondContact O-N 3.48Å; V187-I238 HydrophobicContact CB-CG2 4.42Å; V187-I238 HydrophobicContact CG1-CD1 4.4Å; V187-I238 HydrophobicContact CG1-CG1 4.48Å; V187-I238 HydrophobicContact CG1-CG2 4.38Å; V187-I238 HydrophobicContact CG2-CG2 4.15Å; V187-P248 HydrophobicContact CG2-CB 3.6Å; V187-P248 HydrophobicContact CG2-CG 3.83Å; V187-P248 WeakPolarHBondContact CG2-O 3.46Å
188E87.8Confident75.5Confident114 Ų11449.9 Ų49.953%0.53331%0.311SS..EExtended strand (participates in β ladder)trans-72.6124.3167.2-73.4-68.6172.100109.6Q154Q154-E188 HydrophobicContact CG-CG 4.2Å; Q154-E188 WeakPolarHBondContact CG-OE1 3.49Å; Q154-E188 PolarHBondContact NE2-OE1 2.82Å
189V82.1Confident76.7Confident1 Ų153.4 Ų53.41%0.00632%0.318CS..  trans-111.5121.4177.3-1360000105.7S153 V155 V187 C211 W213 V236 I238S153-V189 WeakPolarHBondContact CB-O 3.37Å; S153-V189 PolarHBondContact O-N 2.84Å; V155-V189 HydrophobicContact CB-CG2 3.87Å; V155-V189 HydrophobicContact CG2-CG2 3.54Å; V187-V189 PolarHBondContact O-N 3.48Å; V189-C211 HydrophobicContact CG1-CB 4.07Å; V189-W213 HydrophobicContact CG1-CZ3 4.32Å; V189-V236 HydrophobicContact CG1-CB 3.71Å; V189-V236 HydrophobicContact CG1-CG1 3.43Å; V189-V236 VanDerWaalsContact CG1-CG1 3.43Å; V189-V236 HydrophobicContact CG1-CG2 3.9Å; V189-I238 HydrophobicContact CG1-CD1 4.33Å; V189-I238 HydrophobicContact CG2-CD1 4.39Å
190G70.4Confident78.1Confident32 Ų3251.1 Ų51.133%0.3330%0.301SS..  trans-55178.1-171.900000115.4W213G190-W213 WeakPolarHBondContact O-CH2 3.23Å; G190-W213 VanDerWaalsContact O-CZ2 3.27Å; G190-W213 WeakPolarHBondContact O-CZ2 3.34Å
191G67.3Low79.8Confident8 Ų846.5 Ų46.58%0.08227%0.27CS..SBendtrans109.5166.1-175.700000113.1H231G191-H231 PolarHBondContact N-ND1 3.14Å
192P60.7Low80.9Confident29 Ų2944.2 Ų44.219%0.18826%0.26CS..  trans-58.2144.7176.920-27.7000111.5S153 L196 R198 L218S153-P192 PolarHBondContact OG-O 2.9Å; P192-L196 HydrophobicContact CG-CD1 3.93Å; P192-R198 PolarHBondContact O-NH2 2.74Å; P192-L218 HydrophobicContact CG-CD2 3.72Å
193G57.5Low81.6Confident68 Ų6843.3 Ų43.370%0.70126%0.256SS*.SBendtrans-76.2134.6-179.800000111.9
194G62.1Low81.7Confident37 Ų3745.1 Ų45.138%0.38127%0.265SS..SBendtrans77.5135.4175.600000114.9L196G194-L196 PolarHBondContact O-N 3.09Å
195G70.2Confident81.7Confident54 Ų5447.5 Ų47.556%0.55728%0.276SS*.SBendtrans92.4-19.7166.300000116.6L150L150-G195 PolarHBondContact O-N 2.98Å
196L78.8Confident81.6Confident3 Ų347.6 Ų47.62%0.01628%0.276CS..  trans-70.6129.4175.4-72.6170.4000111.8P192 G194 R198 E217 L218P192-L196 HydrophobicContact CG-CD1 3.93Å; G194-L196 PolarHBondContact O-N 3.09Å; L196-R198 PolarHBondContact O-N 3.02Å; L196-R198 VanDerWaalsContact O-N 3.14Å; L196-E217 HydrophobicContact CD2-CB 3.42Å; L196-E217 VanDerWaalsContact CD2-CB 3.42Å; L196-L218 HydrophobicContact CD1-CD2 4.2Å; L196-L218 HydrophobicContact CD2-CD2 4.4Å
197R86.3Confident81.5Confident176 Ų17648 Ų4866%0.66428%0.277SS*.  trans-86.884.7174.7-72-171.5177.5-150.81.9110.1R199 E217R197-R199 PolarHBondContact O-N 3.49Å; R197-E217 PolarHBondContact N-OE2 2.8Å
198R90.9Very high81.6Confident0 Ų048.4 Ų48.40%028%0.279CS..  trans-72125.3176.2-64.9179.5-176.475.17.3110.8D137 S148 Q152 S153 P192 L196 W212 W213D137-R198 WeakPolarHBondContact CB-O 3.24Å; S148-R198 WeakPolarHBondContact CB-O 3.46Å; S148-R198 PolarHBondContact OG-O 2.72Å; Q152-R198 PolarHBondContact O-NH1 3.42Å; S153-R198 PolarHBondContact OG-NH2 3.35Å; P192-R198 PolarHBondContact O-NH2 2.74Å; L196-R198 PolarHBondContact O-N 3.02Å; L196-R198 VanDerWaalsContact O-N 3.14Å; R198-W212 WeakPolarHBondContact CA-O 3.18Å; R198-W213 HydrophobicContact CG-CE3 3.97Å
199R93.9Very high81.9Confident119 Ų11943 Ų4345%0.44925%0.254SS..EExtended strand (participates in β ladder)trans-98.8145.7172.1-66.3179.7-174.6-171.46.9110.9D137 R197 C211 W212D137-R199 WeakPolarHBondContact OD2-CA 3.31Å; D137-R199 WeakPolarHBondContact OD2-CB 3.16Å; R197-R199 PolarHBondContact O-N 3.49Å; R199-C211 CarbonylContact O-C 3.54Å; R199-C211 VanDerWaalsContact O-CA 3.27Å; R199-C211 WeakPolarHBondContact O-CA 3.4Å; R199-W212 HydrophobicContact CB-CD2 4.17Å; R199-W212 HydrophobicContact CB-CG 4.44Å; R199-W212 HydrophobicContact CB-CZ2 4.16Å; R199-W212 HydrophobicContact CG-CZ2 4.37Å; R199-W212 PolarHBondContact N-O 2.67Å; R199-W212 PolarHBondContact O-N 3.22Å
200V95.5Very high82.5Confident10 Ų1043 Ų436%0.06125%0.254CS..EExtended strand (participates in β ladder)trans-124.2142-177.6-740000111.3D137 V139 V155 L210 C211D137-V200 HydrophobicContact CB-CG2 4.18Å; D137-V200 PolarHBondContact OD2-N 3.16Å; V139-V200 HydrophobicContact CG2-CB 4.39Å; V139-V200 HydrophobicContact CG2-CG2 4.04Å; V139-V200 WeakPolarHBondContact CG2-O 3.37Å; V155-V200 HydrophobicContact CG1-CG1 4.2Å; V155-V200 HydrophobicContact CG2-CG1 3.87Å; V200-L210 CarbonylContact C-O 3.59Å; V200-L210 VanDerWaalsContact CA-O 3.24Å; V200-L210 WeakPolarHBondContact CA-O 3.48Å; V200-C211 HydrophobicContact CG1-CB 4.33Å
201A94.3Very high83.6Confident18 Ų1841.5 Ų41.515%0.14924%0.238CC..EExtended strand (participates in β ladder)trans-135.7156.3171.900000109.8A209 L210 F265A201-A209 CarbonylContact O-C 3.54Å; A201-A209 WeakPolarHBondContact O-CA 3.43Å; A201-L210 HydrophobicContact CB-CB 4.17Å; A201-L210 HydrophobicContact CB-CD2 4.34Å; A201-L210 PolarHBondContact N-O 3.13Å; A201-L210 PolarHBondContact O-N 3.02Å; A201-F265 HydrophobicContact CB-CD2 4.27Å; A201-F265 HydrophobicContact CB-CE2 4.45Å
202L91.4Very high84.9Confident26 Ų2641.4 Ų41.414%0.13624%0.235CC..EExtended strand (participates in β ladder)trans-123.5135.6179.6-172.854.4000109.4V139 L144 L146 Q206 V208 A209V139-L202 HydrophobicContact CG1-CB 3.77Å; V139-L202 HydrophobicContact CG1-CD2 4.48Å; L144-L202 HydrophobicContact CD2-CD1 4.04Å; L144-L202 HydrophobicContact CD2-CD2 4.14Å; L146-L202 HydrophobicContact CD1-CB 4.1Å; L146-L202 HydrophobicContact CD1-CD1 3.8Å; L146-L202 HydrophobicContact CD1-CD2 4.37Å; L146-L202 HydrophobicContact CD1-CG 4.31Å; L202-Q206 HydrophobicContact CD1-CB 4.3Å; L202-Q206 HydrophobicContact CD2-CB 3.93Å; L202-Q206 HydrophobicContact CD2-CG 3.81Å; L202-Q206 HydrophobicContact CG-CB 4.17Å; L202-Q206 HydrophobicContact CG-CG 4.16Å; L202-V208 WeakPolarHBondContact CD1-O 3.43Å; L202-A209 HydrophobicContact CD1-CB 4.32Å
203S90.6Very high86.4Confident3 Ų340.1 Ų40.12%0.02123%0.227CC..  trans-62.2155.7172.354.50000111L205 Q206 D207 V208 F265S203-L205 PolarHBondContact O-N 3.27Å; S203-Q206 WeakPolarHBondContact O-CA 3.48Å; S203-Q206 PolarHBondContact O-N 3.12Å; S203-Q206 PolarHBondContact OG-N 2.7Å; S203-D207 PolarHBondContact OG-OD1 3.1Å; S203-D207 VanDerWaalsContact OG-OD1 3.11Å; S203-V208 VanDerWaalsContact CB-O 3.29Å; S203-V208 WeakPolarHBondContact CB-O 3.35Å; S203-V208 PolarHBondContact N-O 2.82Å; S203-V208 PolarHBondContact OG-N 2.85Å; S203-V208 VanDerWaalsContact OG-N 3.14Å; S203-V208 PolarHBondContact OG-O 2.93Å; S203-F265 VanDerWaalsContact N-CD2 3.29Å; S203-F265 VanDerWaalsContact N-CE2 3.31Å
204H84.9Confident87.9Confident130 Ų13038.3 Ų38.360%0.60220%0.202SC*.THydrogen-bonded Turntrans-58.4-34.9179.2179.1-104.4000112.8Q206 H270H204-Q206 VanDerWaalsContact C-N 3.26Å; H204-Q206 PolarHBondContact O-N 3.49Å; H204-H270 AromaticContact ND1-CD2 3.64Å; H204-H270 AromaticContact ND1-NE2 3.33Å; H204-H270 PolarHBondContact ND1-NE2 3.27Å
205L85.1Confident88.8Confident86 Ų8637.7 Ų37.745%0.4519%0.19SC..THydrogen-bonded Turntrans-77.3-9.5175.5-60-180000113.9S203 D207 H270 Y271S203-L205 PolarHBondContact O-N 3.27Å; L205-D207 WeakPolarHBondContact CB-OD1 3.09Å; L205-D207 PolarHBondContact O-N 3.36Å; L205-H270 HydrophobicContact CD1-CB 4.23Å; L205-H270 HydrophobicContact CG-CB 4.41Å; L205-Y271 HydrophobicContact CD1-CE2 4.46Å; L205-Y271 WeakPolarHBondContact CD1-OH 3.46Å
206Q86.9Confident88.9Confident47 Ų4739.9 Ų39.922%0.2219%0.189CC..SBendtrans61.323.3179.1-50.4176.316.500114.2S141 L202 S203 H204S141-Q206 VanDerWaalsContact OG-CD 3.28Å; S141-Q206 PolarHBondContact OG-OE1 2.76Å; L202-Q206 HydrophobicContact CD1-CB 4.3Å; L202-Q206 HydrophobicContact CD2-CB 3.93Å; L202-Q206 HydrophobicContact CD2-CG 3.81Å; L202-Q206 HydrophobicContact CG-CB 4.17Å; L202-Q206 HydrophobicContact CG-CG 4.16Å; S203-Q206 WeakPolarHBondContact O-CA 3.48Å; S203-Q206 PolarHBondContact O-N 3.12Å; S203-Q206 PolarHBondContact OG-N 2.7Å; H204-Q206 VanDerWaalsContact C-N 3.26Å; H204-Q206 PolarHBondContact O-N 3.49Å
207D86.8Confident88.2Confident38 Ų3842.6 Ų42.620%0.20320%0.201CC..SBendtrans-101.6-21.1179.964.2-23.5000112.7S203 L205 C240 Y271S203-D207 PolarHBondContact OG-OD1 3.1Å; S203-D207 VanDerWaalsContact OG-OD1 3.11Å; L205-D207 WeakPolarHBondContact CB-OD1 3.09Å; L205-D207 PolarHBondContact O-N 3.36Å; D207-C240 WeakPolarHBondContact O-CA 3.07Å; D207-C240 PolarHBondContact O-N 2.87Å; D207-Y271 PolarHBondContact OD2-OH 2.78Å
208V90.6Very high86.9Confident17 Ų1734.9 Ų34.910%0.10317%0.173CC..EExtended strand (participates in β ladder)trans-129.8132.8177.3-174.90000110.6L202 S203 L237 I238 L251 F265 Y271L202-V208 WeakPolarHBondContact CD1-O 3.43Å; S203-V208 VanDerWaalsContact CB-O 3.29Å; S203-V208 WeakPolarHBondContact CB-O 3.35Å; S203-V208 PolarHBondContact N-O 2.82Å; S203-V208 PolarHBondContact OG-N 2.85Å; S203-V208 VanDerWaalsContact OG-N 3.14Å; S203-V208 PolarHBondContact OG-O 2.93Å; V208-L237 HydrophobicContact CG1-CB 4.49Å; V208-L237 HydrophobicContact CG1-CD2 3.9Å; V208-I238 CarbonylContact C-O 3.58Å; V208-I238 WeakPolarHBondContact CA-O 3.21Å; V208-L251 HydrophobicContact CG1-CD1 4.12Å; V208-L251 HydrophobicContact CG2-CD1 4.28Å; V208-F265 HydrophobicContact CB-CZ 4.43Å; V208-F265 HydrophobicContact CG1-CE1 4.39Å; V208-F265 HydrophobicContact CG1-CZ 4.05Å; V208-Y271 HydrophobicContact CG2-CE1 4.21Å
209A93.1Very high85.1Confident1 Ų139.2 Ų39.21%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-109.6150.6171.700000111.6L146 A201 L202 L237 I238 C240L146-A209 HydrophobicContact CD1-CB 3.46Å; L146-A209 VanDerWaalsContact CD1-CB 3.46Å; L146-A209 HydrophobicContact CD2-CB 4.38Å; A201-A209 CarbonylContact O-C 3.54Å; A201-A209 WeakPolarHBondContact O-CA 3.43Å; L202-A209 HydrophobicContact CD1-CB 4.32Å; A209-L237 CarbonylContact O-C 3.55Å; A209-L237 WeakPolarHBondContact O-CA 3.37Å; A209-I238 HydrophobicContact CB-CB 4.26Å; A209-I238 PolarHBondContact N-O 3.41Å; A209-I238 PolarHBondContact O-N 2.8Å; A209-C240 VanDerWaalsContact CB-SG 3.51Å
210L94.5Very high83.1Confident1 Ų142.3 Ų42.31%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-110.8134.7174.5174.765.9000108.1V200 A201 L235 V236 L237 C263 F265 I273V200-L210 CarbonylContact C-O 3.59Å; V200-L210 VanDerWaalsContact CA-O 3.24Å; V200-L210 WeakPolarHBondContact CA-O 3.48Å; A201-L210 HydrophobicContact CB-CB 4.17Å; A201-L210 HydrophobicContact CB-CD2 4.34Å; A201-L210 PolarHBondContact N-O 3.13Å; A201-L210 PolarHBondContact O-N 3.02Å; L210-L235 HydrophobicContact CD1-CD1 4.32Å; L210-L235 HydrophobicContact CD1-CD2 3.63Å; L210-L235 HydrophobicContact CD1-CG 3.7Å; L210-V236 CarbonylContact C-O 3.55Å; L210-V236 WeakPolarHBondContact CA-O 3.47Å; L210-L237 HydrophobicContact CB-CD2 4.3Å; L210-L237 HydrophobicContact CD1-CD2 4Å; L210-C263 HydrophobicContact CD2-CB 3.88Å; L210-F265 HydrophobicContact CB-CD2 4.4Å; L210-F265 HydrophobicContact CB-CE2 3.53Å; L210-F265 HydrophobicContact CB-CZ 3.8Å; L210-I273 HydrophobicContact CD1-CD1 4.27Å; L210-I273 HydrophobicContact CD2-CG2 3.88Å
211C94.5Very high80.8Confident0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-127.5129.7170.2179.10000108.6V155 V189 R199 V200 V236 I238V155-C211 HydrophobicContact CG2-CB 4.21Å; V189-C211 HydrophobicContact CG1-CB 4.07Å; R199-C211 CarbonylContact O-C 3.54Å; R199-C211 VanDerWaalsContact O-CA 3.27Å; R199-C211 WeakPolarHBondContact O-CA 3.4Å; V200-C211 HydrophobicContact CG1-CB 4.33Å; C211-V236 HydrophobicContact CB-CB 4.39Å; C211-V236 PolarHBondContact N-O 3.02Å; C211-V236 WeakPolarHBondContact O-CB 3.18Å; C211-V236 PolarHBondContact O-N 2.71Å; C211-I238 HydrophobicContact CB-CD1 4.08Å
212W93.9Very high78.6Confident7 Ų748 Ų483%0.02726%0.259CS..EExtended strand (participates in β ladder)trans-147.2161.6-17867.7-86.1000113.5R198 R199 N234 L235 P260 C263R198-W212 WeakPolarHBondContact CA-O 3.18Å; R199-W212 HydrophobicContact CB-CD2 4.17Å; R199-W212 HydrophobicContact CB-CG 4.44Å; R199-W212 HydrophobicContact CB-CZ2 4.16Å; R199-W212 HydrophobicContact CG-CZ2 4.37Å; R199-W212 PolarHBondContact N-O 2.67Å; R199-W212 PolarHBondContact O-N 3.22Å; W212-N234 CarbonylContact C-O 3.59Å; W212-N234 WeakPolarHBondContact CA-O 3.43Å; W212-N234 VanDerWaalsContact CB-O 3.31Å; W212-N234 WeakPolarHBondContact CB-O 3.42Å; W212-L235 HydrophobicContact CB-CG 4.46Å; W212-P260 HydrophobicContact CE3-CB 3.87Å; W212-P260 HydrophobicContact CE3-CG 3.64Å; W212-P260 HydrophobicContact CZ3-CB 3.78Å; W212-P260 HydrophobicContact CZ3-CG 3.77Å; W212-P260 WeakPolarHBondContact CZ3-O 3.09Å; W212-C263 HydrophobicContact CD2-CB 3.94Å; W212-C263 HydrophobicContact CG-CB 3.88Å; W212-C263 HydrophobicContact CZ2-CB 4.28Å; W212-C263 PolarHBondContact NE1-O 2.66Å
213W92.1Very high76.7Confident2 Ų256.6 Ų56.61%0.00829%0.29CS..  trans-151.7167.7176.456.493.8000111V189 G190 R198 N233 N234 V236 P260V189-W213 HydrophobicContact CG1-CZ3 4.32Å; G190-W213 WeakPolarHBondContact O-CH2 3.23Å; G190-W213 VanDerWaalsContact O-CZ2 3.27Å; G190-W213 WeakPolarHBondContact O-CZ2 3.34Å; R198-W213 HydrophobicContact CG-CE3 3.97Å; W213-N233 WeakPolarHBondContact CZ2-O 3.42Å; W213-N234 HydrophobicContact CD2-CB 4.31Å; W213-N234 HydrophobicContact CG-CB 4.35Å; W213-N234 PolarHBondContact N-O 3.2Å; W213-N234 VanDerWaalsContact N-O 3.09Å; W213-N234 PolarHBondContact O-ND2 3.25Å; W213-N234 VanDerWaalsContact O-ND2 3.08Å; W213-V236 HydrophobicContact CH2-CG2 3.74Å; W213-V236 HydrophobicContact CZ3-CG2 3.86Å; W213-P260 WeakPolarHBondContact O-CG 3.42Å
214T89.1Confident74.5Confident30 Ų3061.5 Ų61.518%0.18432%0.321CS..  trans-78.6149.6179.568.50000111.2E217T214-E217 WeakPolarHBondContact OG1-CG 3.45Å; T214-E217 PolarHBondContact OG1-OE1 2.81Å
215L82.4Confident72.9Confident24 Ų2466.2 Ų66.213%0.12633%0.334CS..SBendtrans-76.1-29.1180-60.5166.8000111.6E217 L218 N234 R255 N259L215-E217 VanDerWaalsContact C-N 3.29Å; L215-E217 PolarHBondContact O-N 2.95Å; L215-L218 HydrophobicContact CB-CD1 4.49Å; L215-L218 HydrophobicContact CD2-CD1 3.74Å; L215-L218 VanDerWaalsContact O-CB 3.26Å; L215-L218 WeakPolarHBondContact O-CB 3.27Å; L215-L218 PolarHBondContact O-N 3.42Å; L215-N234 HydrophobicContact CD2-CB 3.71Å; L215-N234 VanDerWaalsContact CD2-CG 3.41Å; L215-R255 HydrophobicContact CD2-CG 4.46Å; L215-N259 WeakPolarHBondContact CA-OD1 3.44Å; L215-N259 WeakPolarHBondContact CB-OD1 3.28Å; L215-N259 PolarHBondContact N-OD1 3.02Å
216D72.1Confident71.2Confident100 Ų10066 Ų6654%0.53534%0.336SS..Hα-helixtrans-61.5-37.4178.2-66.8-15.6000111.8L218 S219 N259D216-L218 PolarHBondContact O-N 3.5Å; D216-S219 WeakPolarHBondContact O-CB 3.38Å; D216-S219 PolarHBondContact O-N 2.9Å; D216-S219 PolarHBondContact O-OG 3.49Å; D216-N259 PolarHBondContact N-OD1 3.37Å; D216-N259 PolarHBondContact OD1-ND2 3.38Å; D216-N259 PolarHBondContact OD2-ND2 2.83Å
217E62.3Low69.1Low60 Ų6068.6 Ų68.628%0.2836%0.357SS..Hα-helixtrans-63.1-21.5175.5-71.5167-141.300113.1L196 R197 T214 L215 S219L196-E217 HydrophobicContact CD2-CB 3.42Å; L196-E217 VanDerWaalsContact CD2-CB 3.42Å; R197-E217 PolarHBondContact N-OE2 2.8Å; T214-E217 WeakPolarHBondContact OG1-CG 3.45Å; T214-E217 PolarHBondContact OG1-OE1 2.81Å; L215-E217 VanDerWaalsContact C-N 3.29Å; L215-E217 PolarHBondContact O-N 2.95Å; E217-S219 VanDerWaalsContact C-N 3.29Å
218L60Low67.4Low13 Ų1372 Ų727%0.06838%0.38CS..Hα-helixtrans-71.1-27.1173.9-66.1162.8000111.8P192 L196 L215 D216 M222P192-L218 HydrophobicContact CG-CD2 3.72Å; L196-L218 HydrophobicContact CD1-CD2 4.2Å; L196-L218 HydrophobicContact CD2-CD2 4.4Å; L215-L218 HydrophobicContact CB-CD1 4.49Å; L215-L218 HydrophobicContact CD2-CD1 3.74Å; L215-L218 VanDerWaalsContact O-CB 3.26Å; L215-L218 WeakPolarHBondContact O-CB 3.27Å; L215-L218 PolarHBondContact O-N 3.42Å; D216-L218 PolarHBondContact O-N 3.5Å; L218-M222 WeakPolarHBondContact O-CG 3.36Å
219S53.5Low65.5Low91 Ų9176 Ų7664%0.63640%0.4SS*.Hα-helixtrans-76.4-27.7-174.372.20000113.3D216 E217 G221D216-S219 WeakPolarHBondContact O-CB 3.38Å; D216-S219 PolarHBondContact O-N 2.9Å; D216-S219 PolarHBondContact O-OG 3.49Å; E217-S219 VanDerWaalsContact C-N 3.29Å; S219-G221 VanDerWaalsContact C-N 3.28Å; S219-G221 PolarHBondContact O-N 3.35Å
220E51.2Low63.3Low185 Ų18580.8 Ų80.886%0.86442%0.424SS*.THydrogen-bonded Turntrans-75.3-12.3-178.8-66.3-163.2158.100113.9
221G48.3Very low61.5Low44 Ų4484.3 Ų84.345%0.45444%0.44SS..SBendtrans-123.61.2-173.100000117S219S219-G221 VanDerWaalsContact C-N 3.28Å; S219-G221 PolarHBondContact O-N 3.35Å
222M47.4Very low60.3Low104 Ų10488.8 Ų88.851%0.51246%0.46SS..  trans-90.7112.7-174.7-81.4-165.173.800113.5L218L218-M222 WeakPolarHBondContact O-CG 3.36Å
223W51.9Low59.9Low206 Ų20689.9 Ų89.978%0.7847%0.466SS*.  trans-81.6149.2162.8-62.1103.2000110.6W225 T226W223-W225 PolarHBondContact O-N 3.07Å; W223-T226 PolarHBondContact O-OG1 2.82Å
224P44Very low59.7Low105 Ų10589.8 Ų89.868%0.68247%0.466SS*.THydrogen-bonded Turntrans-60.3-6.5-169.5-23.732.3000117.5
225W51.5Low59.9Low229 Ų22988.4 Ų88.487%0.86746%0.457SS*.THydrogen-bonded Turntrans-113.65.9-163.4-39.5101.2000114.7W223W223-W225 PolarHBondContact O-N 3.07Å
226T48.9Very low60.3Low82 Ų8287.4 Ų87.450%0.50345%0.452SS..  trans-80135.218040.80000113.2W223W223-T226 PolarHBondContact O-OG1 2.82Å
227P42.8Very low61.3Low101 Ų10182.9 Ų82.966%0.65643%0.428SS*.  trans-71.7175.8-175.9-13.229000115.7H231P227-H231 PolarHBondContact O-CD2 3.16Å
228T52.3Low62.7Low111 Ų11180.1 Ų80.168%0.68142%0.415SS*.SBendtrans-73.5151.7-149.4-7.40000119.3M230T228-M230 PolarHBondContact O-N 3.15Å
229D48.8Very low64.1Low99 Ų9981.1 Ų81.153%0.52942%0.423SS..SBendtrans50.5-41.3160.7-66.2-20.4000122.4H231 K232D229-H231 VanDerWaalsContact C-N 3.25Å; D229-H231 PolarHBondContact O-N 3.36Å; D229-K232 PolarHBondContact O-N 3.22Å; D229-K232 IonicContact OD1-NZ 2.88Å; D229-K232 PolarHBondContact OD1-NZ 2.91Å
230M47.8Very low65.6Low103 Ų10376.9 Ų76.951%0.50739%0.393SS..G310 helixtrans-70.5-24177.5-71.4-105.269.600112.8T228 K232 S253T228-M230 PolarHBondContact O-N 3.15Å; M230-K232 PolarHBondContact O-N 3.34Å; M230-S253 WeakPolarHBondContact CE-OG 3.49Å
231H56.8Low66.6Low74 Ų7469.7 Ų69.734%0.34336%0.364SS..G310 helixtrans-80.2-0.6179.2-64-77.4000114G191 P227 D229G191-H231 PolarHBondContact N-ND1 3.14Å; P227-H231 PolarHBondContact O-CD2 3.16Å; D229-H231 VanDerWaalsContact C-N 3.25Å; D229-H231 PolarHBondContact O-N 3.36Å
232K68.5Low67Low95 Ų9571.6 Ų71.641%0.41337%0.368SS..G310 helixtrans-100.7-15179.1-63.8175.3-174.4160.10113.4D229 M230 R255D229-K232 PolarHBondContact O-N 3.22Å; D229-K232 IonicContact OD1-NZ 2.88Å; D229-K232 PolarHBondContact OD1-NZ 2.91Å; M230-K232 PolarHBondContact O-N 3.34Å; K232-R255 WeakPolarHBondContact O-CD 3.01Å; K232-R255 WeakPolarHBondContact O-CG 3.48Å
233N85.3Confident67.7Low30 Ų3070.4 Ų70.416%0.1637%0.366CS..  trans-79.7141177.1-69.1-10000109W213 S253 V254 R255W213-N233 WeakPolarHBondContact CZ2-O 3.42Å; N233-S253 PolarHBondContact ND2-O 2.93Å; N233-S253 PolarHBondContact ND2-OG 2.76Å; N233-V254 WeakPolarHBondContact CB-O 3.38Å; N233-R255 WeakPolarHBondContact OD1-CB 3.27Å; N233-R255 PolarHBondContact OD1-N 2.85Å
234N89.3Confident67.6Low0 Ų069 Ų690%037%0.368CS..  trans-130.53.8-175.267.1-51000112.5W212 W213 L215 V254 R255 T256W212-N234 CarbonylContact C-O 3.59Å; W212-N234 WeakPolarHBondContact CA-O 3.43Å; W212-N234 VanDerWaalsContact CB-O 3.31Å; W212-N234 WeakPolarHBondContact CB-O 3.42Å; W213-N234 HydrophobicContact CD2-CB 4.31Å; W213-N234 HydrophobicContact CG-CB 4.35Å; W213-N234 PolarHBondContact N-O 3.2Å; W213-N234 VanDerWaalsContact N-O 3.09Å; W213-N234 PolarHBondContact O-ND2 3.25Å; W213-N234 VanDerWaalsContact O-ND2 3.08Å; L215-N234 HydrophobicContact CD2-CB 3.71Å; L215-N234 VanDerWaalsContact CD2-CG 3.41Å; N234-V254 PolarHBondContact N-O 2.93Å; N234-R255 WeakPolarHBondContact OD1-CA 3.14Å; N234-T256 PolarHBondContact ND2-OG1 2.88Å; N234-T256 PolarHBondContact OD1-N 3.04Å; N234-T256 PolarHBondContact OD1-OG1 2.88Å
235L92.3Very high68Low0 Ų066.3 Ų66.30%036%0.361CS..EExtended strand (participates in β ladder)trans-128.9120.3173.1-166.9146.6000108.9L210 W212 S253 V254 T256 C263 I273 T275 L299L210-L235 HydrophobicContact CD1-CD1 4.32Å; L210-L235 HydrophobicContact CD1-CD2 3.63Å; L210-L235 HydrophobicContact CD1-CG 3.7Å; W212-L235 HydrophobicContact CB-CG 4.46Å; L235-S253 CarbonylContact O-C 3.54Å; L235-S253 VanDerWaalsContact O-CA 3.25Å; L235-S253 WeakPolarHBondContact O-CA 3.44Å; L235-V254 HydrophobicContact CB-CG1 4Å; L235-V254 HydrophobicContact CD2-CG1 3.94Å; L235-V254 PolarHBondContact N-O 2.84Å; L235-V254 VanDerWaalsContact N-O 3.12Å; L235-V254 PolarHBondContact O-N 3.34Å; L235-T256 HydrophobicContact CB-CG2 4.13Å; L235-T256 HydrophobicContact CD1-CG2 4.11Å; L235-C263 HydrophobicContact CD1-CB 4.28Å; L235-I273 HydrophobicContact CD2-CD1 4.41Å; L235-T275 HydrophobicContact CD1-CG2 3.78Å; L235-L299 HydrophobicContact CD2-CD2 3.14Å
236V92.3Very high68.5Low3 Ų359.8 Ų59.82%0.01834%0.342CS..EExtended strand (participates in β ladder)trans-132.8130.2-165.2-177.30000110.9V189 L210 C211 W213 I238 L250V189-V236 HydrophobicContact CG1-CB 3.71Å; V189-V236 HydrophobicContact CG1-CG1 3.43Å; V189-V236 VanDerWaalsContact CG1-CG1 3.43Å; V189-V236 HydrophobicContact CG1-CG2 3.9Å; L210-V236 CarbonylContact C-O 3.55Å; L210-V236 WeakPolarHBondContact CA-O 3.47Å; C211-V236 HydrophobicContact CB-CB 4.39Å; C211-V236 PolarHBondContact N-O 3.02Å; C211-V236 WeakPolarHBondContact O-CB 3.18Å; C211-V236 PolarHBondContact O-N 2.71Å; W213-V236 HydrophobicContact CH2-CG2 3.74Å; W213-V236 HydrophobicContact CZ3-CG2 3.86Å; V236-I238 HydrophobicContact CG1-CG1 4.34Å; V236-L250 HydrophobicContact CG1-CD1 3.06Å
237L92.8Very high69.7Low5 Ų561.8 Ų61.83%0.02634%0.344CS..EExtended strand (participates in β ladder)trans-101.6135174.1-73.1-174.6000111.6V208 A209 L210 L251 C252 F265 I273 C294 L299V208-L237 HydrophobicContact CG1-CB 4.49Å; V208-L237 HydrophobicContact CG1-CD2 3.9Å; A209-L237 CarbonylContact O-C 3.55Å; A209-L237 WeakPolarHBondContact O-CA 3.37Å; L210-L237 HydrophobicContact CB-CD2 4.3Å; L210-L237 HydrophobicContact CD1-CD2 4Å; L237-L251 HydrophobicContact CB-CB 4.15Å; L237-L251 PolarHBondContact O-N 3.39Å; L237-C252 PolarHBondContact N-O 2.93Å; L237-F265 HydrophobicContact CD2-CE1 4.4Å; L237-F265 HydrophobicContact CD2-CZ 4.07Å; L237-I273 HydrophobicContact CD1-CD1 4.01Å; L237-I273 HydrophobicContact CD2-CD1 3.62Å; L237-I273 HydrophobicContact CG-CD1 4.09Å; L237-C294 HydrophobicContact CD1-CB 4.2Å; L237-L299 HydrophobicContact CD1-CD1 3.93Å; L237-L299 HydrophobicContact CD1-CD2 4.4Å; L237-L299 HydrophobicContact CG-CD2 4.49Å
238I91.9Very high71.5Confident3 Ų357.3 Ų57.32%0.01532%0.315CS..EExtended strand (participates in β ladder)trans-125.6130-177-55.3170.8000108V155 V187 V189 V208 A209 C211 V236 P248 Q249V155-I238 HydrophobicContact CB-CD1 4.03Å; V155-I238 HydrophobicContact CG1-CD1 4.11Å; V155-I238 HydrophobicContact CG2-CD1 4.34Å; V187-I238 HydrophobicContact CB-CG2 4.42Å; V187-I238 HydrophobicContact CG1-CD1 4.4Å; V187-I238 HydrophobicContact CG1-CG1 4.48Å; V187-I238 HydrophobicContact CG1-CG2 4.38Å; V187-I238 HydrophobicContact CG2-CG2 4.15Å; V189-I238 HydrophobicContact CG1-CD1 4.33Å; V189-I238 HydrophobicContact CG2-CD1 4.39Å; V208-I238 CarbonylContact C-O 3.58Å; V208-I238 WeakPolarHBondContact CA-O 3.21Å; A209-I238 HydrophobicContact CB-CB 4.26Å; A209-I238 PolarHBondContact N-O 3.41Å; A209-I238 PolarHBondContact O-N 2.8Å; C211-I238 HydrophobicContact CB-CD1 4.08Å; V236-I238 HydrophobicContact CG1-CG1 4.34Å; I238-P248 HydrophobicContact CG2-CB 4.01Å; I238-Q249 CarbonylContact C-O 3.41Å; I238-Q249 WeakPolarHBondContact CA-O 3.39Å
239S89.6Confident73.2Confident33 Ų3357.3 Ų57.323%0.23131%0.307CS..EExtended strand (participates in β ladder)trans-76.2132.2170.6-175.20000110P248 Q249S239-P248 WeakPolarHBondContact O-CA 3.38Å; S239-P248 VanDerWaalsContact O-CB 3.3Å; S239-P248 WeakPolarHBondContact O-CB 3.21Å; S239-Q249 PolarHBondContact N-O 3.39Å; S239-Q249 PolarHBondContact O-N 2.99Å
240C84.4Confident75Confident2 Ų256.3 Ų56.31%0.01430%0.301CS..  trans-121.941.9178.7-62.70000110.9L144 Y159 D207 A209L144-C240 HydrophobicContact CD2-CB 3.72Å; Y159-C240 WeakPolarHBondContact OH-CA 3.2Å; D207-C240 WeakPolarHBondContact O-CA 3.07Å; D207-C240 PolarHBondContact O-N 2.87Å; A209-C240 VanDerWaalsContact CB-SG 3.51Å
241S72.4Confident77Confident35 Ų3555.3 Ų55.325%0.24530%0.297CS..  trans-51.6128.3-176.5-179.40000111.7T243S241-T243 PolarHBondContact O-N 3.45Å; S241-T243 PolarHBondContact OG-N 3.49Å; S241-T243 PolarHBondContact OG-OG1 3.13Å
242P56.8Low78.5Confident84 Ų8452.4 Ų52.455%0.54529%0.286SS..  trans-75.2-3.7-178.330.3-35000113.6E244P242-E244 PolarHBondContact O-N 3.3Å; P242-E244 VanDerWaalsContact O-N 3.13Å
243T61.1Low79.5Confident78 Ų7849.3 Ų49.348%0.47928%0.275SS..SBendtrans-63.7113.8175.947.60000110.1S241 G245 L246S241-T243 PolarHBondContact O-N 3.45Å; S241-T243 PolarHBondContact OG-N 3.49Å; S241-T243 PolarHBondContact OG-OG1 3.13Å; T243-G245 PolarHBondContact O-N 3.5Å; T243-G245 VanDerWaalsContact O-N 3.1Å; T243-L246 PolarHBondContact O-N 2.75Å; T243-L246 WeakPolarHBondContact OG1-CD1 3.4Å
244E50.4Low79.7Confident176 Ų17649.3 Ų49.382%0.82228%0.277SS*.THydrogen-bonded Turntrans-44.7114.7-177.4-68-176.3164.200111.4P242P242-E244 PolarHBondContact O-N 3.3Å; P242-E244 VanDerWaalsContact O-N 3.13Å
245G52.8Low79.7Confident50 Ų5055.5 Ų55.552%0.51530%0.3SS..THydrogen-bonded Turntrans114.4-22.1172.600000116.1T243 K247T243-G245 PolarHBondContact O-N 3.5Å; T243-G245 VanDerWaalsContact O-N 3.1Å; G245-K247 PolarHBondContact O-N 3Å
246L61.6Low79.6Confident91 Ų9155.7 Ų55.748%0.47630%0.301SS..PPolyproline II helixtrans-74.8118.5178.4-68.7-179000110.4T243T243-L246 PolarHBondContact O-N 2.75Å; T243-L246 WeakPolarHBondContact OG1-CD1 3.4Å
247K73.3Confident79.3Confident124 Ų12459 Ų5954%0.53932%0.321SS..PPolyproline II helixtrans-58.1136.4169-169.3179.5176.3179.80107.5C186 G245 Q249C186-K247 WeakPolarHBondContact O-CE 3.34Å; G245-K247 PolarHBondContact O-N 3Å; K247-Q249 WeakPolarHBondContact O-CG 3.35Å; K247-Q249 PolarHBondContact O-NE2 3.1Å
248P81.5Confident79.1Confident7 Ų758.8 Ų58.85%0.04532%0.321CS..PPolyproline II helixtrans-53.5147.3169.316.7-18.6000108.6M185 V187 I238 S239M185-P248 HydrophobicContact CB-CG 3.82Å; V187-P248 HydrophobicContact CG2-CB 3.6Å; V187-P248 HydrophobicContact CG2-CG 3.83Å; V187-P248 WeakPolarHBondContact CG2-O 3.46Å; I238-P248 HydrophobicContact CG2-CB 4.01Å; S239-P248 WeakPolarHBondContact O-CA 3.38Å; S239-P248 VanDerWaalsContact O-CB 3.3Å; S239-P248 WeakPolarHBondContact O-CB 3.21Å
249Q86.8Confident79Confident112 Ų11259.9 Ų59.952%0.52333%0.326SS..EExtended strand (participates in β ladder)trans-137.6141.3-172.2-79.8169.95400110.5I238 S239 K247 L251I238-Q249 CarbonylContact C-O 3.41Å; I238-Q249 WeakPolarHBondContact CA-O 3.39Å; S239-Q249 PolarHBondContact N-O 3.39Å; S239-Q249 PolarHBondContact O-N 2.99Å; K247-Q249 WeakPolarHBondContact O-CG 3.35Å; K247-Q249 PolarHBondContact O-NE2 3.1Å; Q249-L251 PolarHBondContact O-N 3.09Å
250L88Confident79.2Confident78 Ų7858.5 Ų58.541%0.40832%0.317SS..EExtended strand (participates in β ladder)trans-63.4119.6171.6-178.966.9000109.4V236V236-L250 HydrophobicContact CG1-CD1 3.06Å
251L88.8Confident79.7Confident81 Ų8160 Ų6042%0.42432%0.324SS..EExtended strand (participates in β ladder)trans-86-59177.4-72.1174.6000110.9V208 L237 Q249V208-L251 HydrophobicContact CG1-CD1 4.12Å; V208-L251 HydrophobicContact CG2-CD1 4.28Å; L237-L251 HydrophobicContact CB-CB 4.15Å; L237-L251 PolarHBondContact O-N 3.39Å; Q249-L251 PolarHBondContact O-N 3.09Å
252C88.4Confident80.7Confident14 Ų1460.3 Ų60.310%0.09532%0.323CS..EExtended strand (participates in β ladder)trans-160166178.960.70000110.5L237 G297L237-C252 PolarHBondContact N-O 2.93Å; C252-G297 WeakPolarHBondContact CB-O 3.39Å
253S88.9Confident82.6Confident29 Ų2956.4 Ų56.420%0.20330%0.298CS..EExtended strand (participates in β ladder)trans-141.7152.1172.756.30000110.4M230 N233 L235M230-S253 WeakPolarHBondContact CE-OG 3.49Å; N233-S253 PolarHBondContact ND2-O 2.93Å; N233-S253 PolarHBondContact ND2-OG 2.76Å; L235-S253 CarbonylContact O-C 3.54Å; L235-S253 VanDerWaalsContact O-CA 3.25Å; L235-S253 WeakPolarHBondContact O-CA 3.44Å
254V90.4Very high84.1Confident30 Ų3054.3 Ų54.318%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-137.6152.6176.875.10000109.1N233 N234 L235 Y292 L299N233-V254 WeakPolarHBondContact CB-O 3.38Å; N234-V254 PolarHBondContact N-O 2.93Å; L235-V254 HydrophobicContact CB-CG1 4Å; L235-V254 HydrophobicContact CD2-CG1 3.94Å; L235-V254 PolarHBondContact N-O 2.84Å; L235-V254 VanDerWaalsContact N-O 3.12Å; L235-V254 PolarHBondContact O-N 3.34Å; V254-Y292 HydrophobicContact CG1-CD1 4.32Å; V254-Y292 HydrophobicContact CG1-CE1 3.96Å; V254-Y292 HydrophobicContact CG2-CE1 4.45Å; V254-L299 HydrophobicContact CB-CB 4.4Å; V254-L299 HydrophobicContact CB-CD2 4.49Å; V254-L299 HydrophobicContact CG1-CB 4.45Å; V254-L299 HydrophobicContact CG1-CD2 3.72Å; V254-L299 HydrophobicContact CG1-CG 4.36Å
255R89.6Confident86.2Confident131 Ų13146.9 Ų46.949%0.49425%0.251SS..  trans-89.5127.9166.9-177.6171.8-177.8163.14.3109L215 K232 N233 N234L215-R255 HydrophobicContact CD2-CG 4.46Å; K232-R255 WeakPolarHBondContact O-CD 3.01Å; K232-R255 WeakPolarHBondContact O-CG 3.48Å; N233-R255 WeakPolarHBondContact OD1-CB 3.27Å; N233-R255 PolarHBondContact OD1-N 2.85Å; N234-R255 WeakPolarHBondContact OD1-CA 3.14Å
256T90.4Very high88.2Confident3 Ų344.6 Ų44.62%0.01823%0.227CC..  trans-69.4155.7170.459.10000110.2N234 L235 G258 E277N234-T256 PolarHBondContact ND2-OG1 2.88Å; N234-T256 PolarHBondContact OD1-N 3.04Å; N234-T256 PolarHBondContact OD1-OG1 2.88Å; L235-T256 HydrophobicContact CB-CG2 4.13Å; L235-T256 HydrophobicContact CD1-CG2 4.11Å; T256-G258 WeakPolarHBondContact CB-O 3.41Å; T256-G258 PolarHBondContact OG1-O 2.94Å; T256-E277 WeakPolarHBondContact CB-OE2 3.1Å
257T85.2Confident89.4Confident73 Ų7347.1 Ų47.145%0.44824%0.237SC..SBendtrans-78.4-36.4178.947.80000112.9E277 R301T257-E277 PolarHBondContact N-OE2 2.92Å; T257-E277 PolarHBondContact OG1-OE2 3.15Å; T257-R301 VanDerWaalsContact CG2-NH2 3.34Å; T257-R301 PolarHBondContact OG1-NH1 3.34Å
258G88.3Confident90.1Very high1 Ų146.5 Ų46.51%0.0124%0.239CC..SBendtrans-114.7-177.8173.900000112.1T256 P260 E277 L278T256-G258 WeakPolarHBondContact CB-O 3.41Å; T256-G258 PolarHBondContact OG1-O 2.94Å; G258-P260 WeakPolarHBondContact O-CD 3.23Å; G258-E277 PolarHBondContact N-OE2 3.41Å; G258-E277 VanDerWaalsContact N-OE2 3.12Å; G258-L278 CarbonylContact C-O 3.56Å; G258-L278 WeakPolarHBondContact CA-O 3.34Å
259N90.8Very high90.5Very high25 Ų2551 Ų5113%0.13426%0.259CS..EExtended strand (participates in β ladder)trans-72.9118.3170.2-83.5-48.6000109.9L215 D216 L261 E277 L278L215-N259 WeakPolarHBondContact CA-OD1 3.44Å; L215-N259 WeakPolarHBondContact CB-OD1 3.28Å; L215-N259 PolarHBondContact N-OD1 3.02Å; D216-N259 PolarHBondContact N-OD1 3.37Å; D216-N259 PolarHBondContact OD1-ND2 3.38Å; D216-N259 PolarHBondContact OD2-ND2 2.83Å; N259-L261 PolarHBondContact O-N 3.2Å; N259-E277 CarbonylContact O-C 3.54Å; N259-E277 WeakPolarHBondContact O-CA 3.38Å; N259-L278 HydrophobicContact CB-CB 4.39Å; N259-L278 PolarHBondContact N-O 3.47Å; N259-L278 PolarHBondContact O-N 3.43Å
260P93.5Very high90.4Very high4 Ų449.2 Ų49.23%0.02625%0.25CS..EExtended strand (participates in β ladder)trans-69128178.827.7-33.7000111W212 W213 G258 C263 V276W212-P260 HydrophobicContact CE3-CB 3.87Å; W212-P260 HydrophobicContact CE3-CG 3.64Å; W212-P260 HydrophobicContact CZ3-CB 3.78Å; W212-P260 HydrophobicContact CZ3-CG 3.77Å; W212-P260 WeakPolarHBondContact CZ3-O 3.09Å; W213-P260 WeakPolarHBondContact O-CG 3.42Å; G258-P260 WeakPolarHBondContact O-CD 3.23Å; P260-C263 VanDerWaalsContact CB-SG 3.54Å; P260-V276 CarbonylContact C-O 3.56Å; P260-V276 WeakPolarHBondContact CA-O 3.46Å
261L93.8Very high90.3Very high34 Ų3451.2 Ų51.218%0.17825%0.253CS..EExtended strand (participates in β ladder)trans-88.8-37.4169.8-177.862.5000111.1N259 V276 P313 C316 L327N259-L261 PolarHBondContact O-N 3.2Å; L261-V276 HydrophobicContact CB-CB 4.43Å; L261-V276 HydrophobicContact CB-CG1 4.3Å; L261-V276 HydrophobicContact CD2-CG1 4.34Å; L261-V276 PolarHBondContact N-O 2.91Å; L261-P313 HydrophobicContact CD2-CB 4.05Å; L261-P313 HydrophobicContact CD2-CG 4.28Å; L261-C316 HydrophobicContact CD2-CB 3.75Å; L261-C316 HydrophobicContact CG-CB 4.34Å; L261-L327 HydrophobicContact CD2-CD2 4.37Å
262D94.8Very high90.5Very high41 Ų4148.7 Ų48.722%0.21924%0.239CC..EExtended strand (participates in β ladder)trans-149.6145174.7179.947.6000111.1T275 V276 C316D262-T275 CarbonylContact O-C 3.57Å; D262-T275 VanDerWaalsContact O-CA 3.29Å; D262-T275 WeakPolarHBondContact O-CA 3.34Å; D262-V276 PolarHBondContact O-N 3.15Å; D262-C316 WeakPolarHBondContact CB-SG 3.33Å
263C95.4Very high90.8Very high3 Ų348.1 Ų48.12%0.0224%0.235CC..EExtended strand (participates in β ladder)trans-142.9121.1172.3-53.30000109.1L210 W212 L235 P260 L274 T275L210-C263 HydrophobicContact CD2-CB 3.88Å; W212-C263 HydrophobicContact CD2-CB 3.94Å; W212-C263 HydrophobicContact CG-CB 3.88Å; W212-C263 HydrophobicContact CZ2-CB 4.28Å; W212-C263 PolarHBondContact NE1-O 2.66Å; L235-C263 HydrophobicContact CD1-CB 4.28Å; P260-C263 VanDerWaalsContact CB-SG 3.54Å; C263-L274 WeakPolarHBondContact CA-O 3.39Å; C263-T275 HydrophobicContact CB-CG2 4.02Å
264C94.4Very high91.1Very high34 Ų3447.3 Ų47.323%0.2323%0.229CC..EExtended strand (participates in β ladder)trans-140.6160.8-178.553.40000111.6I273 L274C264-I273 CarbonylContact O-C 3.59Å; C264-I273 WeakPolarHBondContact O-CA 3.35Å; C264-L274 PolarHBondContact N-O 2.88Å; C264-L274 PolarHBondContact O-N 3.07Å
265F94.1Very high91.4Very high19 Ų1945.9 Ų45.98%0.08322%0.22CC..EExtended strand (participates in β ladder)trans-76145.8167.8-72.8-80.4000110A201 S203 V208 L210 L237 Q267 I273A201-F265 HydrophobicContact CB-CD2 4.27Å; A201-F265 HydrophobicContact CB-CE2 4.45Å; S203-F265 VanDerWaalsContact N-CD2 3.29Å; S203-F265 VanDerWaalsContact N-CE2 3.31Å; V208-F265 HydrophobicContact CB-CZ 4.43Å; V208-F265 HydrophobicContact CG1-CE1 4.39Å; V208-F265 HydrophobicContact CG1-CZ 4.05Å; L210-F265 HydrophobicContact CB-CD2 4.4Å; L210-F265 HydrophobicContact CB-CE2 3.53Å; L210-F265 HydrophobicContact CB-CZ 3.8Å; L237-F265 HydrophobicContact CD2-CE1 4.4Å; L237-F265 HydrophobicContact CD2-CZ 4.07Å; F265-Q267 PolarHBondContact O-N 3.38Å; F265-I273 HydrophobicContact CD1-CG1 4.01Å; F265-I273 HydrophobicContact CE1-CD1 4.4Å; F265-I273 HydrophobicContact CE1-CG1 3.9Å
266S93.4Very high91.8Very high2 Ų239.7 Ų39.71%0.01420%0.197CC..  trans-65.3131168171.50000109.8L268 Q269 Q272 E322S266-L268 VanDerWaalsContact C-N 3.3Å; S266-L268 PolarHBondContact OG-N 3.47Å; S266-L268 VanDerWaalsContact OG-N 3.13Å; S266-Q269 WeakPolarHBondContact CB-O 3.36Å; S266-Q269 PolarHBondContact OG-N 3.29Å; S266-Q272 PolarHBondContact N-O 2.87Å; S266-E322 VanDerWaalsContact CA-OE1 3.29Å; S266-E322 WeakPolarHBondContact CA-OE1 3.27Å; S266-E322 WeakPolarHBondContact CB-OE2 3.43Å; S266-E322 PolarHBondContact OG-OE1 3.02Å; S266-E322 PolarHBondContact OG-OE2 2.85Å
267Q87.6Confident92Very high145 Ų14539.5 Ų39.568%0.67820%0.196SC*.SBendtrans-70.4-28.2167.4-56.3-176.2200111.3F265 E322F265-Q267 PolarHBondContact O-N 3.38Å; Q267-E322 WeakPolarHBondContact CA-OE1 3.35Å; Q267-E322 WeakPolarHBondContact CB-OE1 3.45Å; Q267-E322 PolarHBondContact N-OE1 3.45Å
268L88.7Confident92.4Very high111 Ų11138.2 Ų38.258%0.58119%0.186SC*.SBendtrans-86.4-32.1179.1-57-179.9000112.7S266 E322S266-L268 VanDerWaalsContact C-N 3.3Å; S266-L268 PolarHBondContact OG-N 3.47Å; S266-L268 VanDerWaalsContact OG-N 3.13Å; L268-E322 HydrophobicContact CD1-CB 4.25Å; L268-E322 HydrophobicContact CD1-CG 4.23Å; L268-E322 HydrophobicContact CG-CG 4.31Å; L268-E322 PolarHBondContact N-OE1 3.49Å; L268-E322 VanDerWaalsContact N-OE1 3.13Å
269Q89.6Confident92.4Very high102 Ų10240.6 Ų40.648%0.47720%0.201SC..SBendtrans-132.3106.6-177-59.9-16124.200112.3S266 Y271 Q272S266-Q269 WeakPolarHBondContact CB-O 3.36Å; S266-Q269 PolarHBondContact OG-N 3.29Å; Q269-Y271 PolarHBondContact O-N 3.13Å; Q269-Q272 HydrophobicContact CB-CB 4Å; Q269-Q272 HydrophobicContact CB-CG 3.91Å; Q269-Q272 PolarHBondContact O-N 3.37Å; Q269-Q272 VanDerWaalsContact OE1-OE1 3.14Å
270H83.8Confident91.7Very high73 Ų7343.7 Ų43.734%0.33823%0.231SC..THydrogen-bonded Turntrans-50.9-29.9-169.8-61.190.4000117.2H204 L205H204-H270 AromaticContact ND1-CD2 3.64Å; H204-H270 AromaticContact ND1-NE2 3.33Å; H204-H270 PolarHBondContact ND1-NE2 3.27Å; L205-H270 HydrophobicContact CD1-CB 4.23Å; L205-H270 HydrophobicContact CG-CB 4.41Å
271Y86.1Confident90.4Very high120 Ų12046 Ų4647%0.47126%0.255SS..THydrogen-bonded Turntrans-117.313.7-175.5-59.1-60.8000113.7L205 D207 V208 Q269L205-Y271 HydrophobicContact CD1-CE2 4.46Å; L205-Y271 WeakPolarHBondContact CD1-OH 3.46Å; D207-Y271 PolarHBondContact OD2-OH 2.78Å; V208-Y271 HydrophobicContact CG2-CE1 4.21Å; Q269-Y271 PolarHBondContact O-N 3.13Å
272Q93.1Very high88.8Confident28 Ų2850.9 Ų50.913%0.13129%0.288CS..EExtended strand (participates in β ladder)trans-93.8140.2168.5-75.4-171.3-18.400110.5S266 Q269 V291 Y292 E293S266-Q272 PolarHBondContact N-O 2.87Å; Q269-Q272 HydrophobicContact CB-CB 4Å; Q269-Q272 HydrophobicContact CB-CG 3.91Å; Q269-Q272 PolarHBondContact O-N 3.37Å; Q269-Q272 VanDerWaalsContact OE1-OE1 3.14Å; Q272-V291 HydrophobicContact CB-CG1 4.37Å; Q272-V291 HydrophobicContact CG-CG1 4.24Å; Q272-Y292 WeakPolarHBondContact CA-O 3.47Å; Q272-E293 HydrophobicContact CG-CG 3.76Å; Q272-E293 PolarHBondContact NE2-OE1 2.93Å
273I95.3Very high87.3Confident2 Ų257.6 Ų57.61%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-115.4128.2174.4-55.7165.2000107.4L210 L235 L237 C264 F265 T275 V291 Y292 L299L210-I273 HydrophobicContact CD1-CD1 4.27Å; L210-I273 HydrophobicContact CD2-CG2 3.88Å; L235-I273 HydrophobicContact CD2-CD1 4.41Å; L237-I273 HydrophobicContact CD1-CD1 4.01Å; L237-I273 HydrophobicContact CD2-CD1 3.62Å; L237-I273 HydrophobicContact CG-CD1 4.09Å; C264-I273 CarbonylContact O-C 3.59Å; C264-I273 WeakPolarHBondContact O-CA 3.35Å; F265-I273 HydrophobicContact CD1-CG1 4.01Å; F265-I273 HydrophobicContact CE1-CD1 4.4Å; F265-I273 HydrophobicContact CE1-CG1 3.9Å; I273-T275 HydrophobicContact CG2-CG2 4.2Å; I273-V291 WeakPolarHBondContact O-CA 3.5Å; I273-Y292 PolarHBondContact N-O 2.84Å; I273-Y292 PolarHBondContact O-N 2.8Å; I273-L299 HydrophobicContact CD1-CD1 3.83Å; I273-L299 HydrophobicContact CD1-CD2 3.92Å
274L95.9Very high86.2Confident13 Ų1360.4 Ų60.47%0.06835%0.348CS..EExtended strand (participates in β ladder)trans-103130.2178-51.6179.6000107.9C263 C264 V291 E322C263-L274 WeakPolarHBondContact CA-O 3.39Å; C264-L274 PolarHBondContact N-O 2.88Å; C264-L274 PolarHBondContact O-N 3.07Å; L274-V291 HydrophobicContact CD2-CB 4.46Å; L274-V291 HydrophobicContact CD2-CG1 4.22Å; L274-V291 HydrophobicContact CD2-CG2 3.81Å; L274-E322 HydrophobicContact CD1-CB 4.19Å; L274-E322 HydrophobicContact CD1-CG 4.05Å
275T96.5Very high86Confident0 Ų062.9 Ų62.90%036%0.358CS..EExtended strand (participates in β ladder)trans-124.6151.4175.370.90000111.2L235 D262 C263 I273 E277 T289 C290 Y292L235-T275 HydrophobicContact CD1-CG2 3.78Å; D262-T275 CarbonylContact O-C 3.57Å; D262-T275 VanDerWaalsContact O-CA 3.29Å; D262-T275 WeakPolarHBondContact O-CA 3.34Å; C263-T275 HydrophobicContact CB-CG2 4.02Å; I273-T275 HydrophobicContact CG2-CG2 4.2Å; T275-E277 PolarHBondContact OG1-OE1 2.78Å; T275-T289 WeakPolarHBondContact O-CA 3.38Å; T275-C290 PolarHBondContact N-O 2.82Å; T275-C290 PolarHBondContact O-N 3.4Å; T275-C290 WeakPolarHBondContact OG1-CB 3.24Å; T275-Y292 HydrophobicContact CG2-CD2 3.9Å; T275-Y292 HydrophobicContact CG2-CE2 3.91Å
276V96.7Very high86Confident0 Ų063 Ų630%036%0.362CS..EExtended strand (participates in β ladder)trans-115.7112.4165.2-177.20000106.4P260 L261 D262 A287 D288 R318 L325 L327P260-V276 CarbonylContact C-O 3.56Å; P260-V276 WeakPolarHBondContact CA-O 3.46Å; L261-V276 HydrophobicContact CB-CB 4.43Å; L261-V276 HydrophobicContact CB-CG1 4.3Å; L261-V276 HydrophobicContact CD2-CG1 4.34Å; L261-V276 PolarHBondContact N-O 2.91Å; D262-V276 PolarHBondContact O-N 3.15Å; V276-A287 HydrophobicContact CG1-CB 4.3Å; V276-D288 CarbonylContact C-O 3.52Å; V276-D288 WeakPolarHBondContact CA-O 3.41Å; V276-R318 VanDerWaalsContact CG2-NH2 3.29Å; V276-L325 HydrophobicContact CG1-CD2 4.3Å; V276-L325 HydrophobicContact CG2-CD1 4Å; V276-L325 HydrophobicContact CG2-CD2 3.85Å; V276-L327 HydrophobicContact CG1-CD2 4.24Å
277E95Very high86.1Confident0 Ų062.9 Ų62.90%036%0.361CS..EExtended strand (participates in β ladder)trans-114.3141.6-175-70.9172.5-138.100111.1T256 T257 G258 N259 T275 P279 D288 Y292T256-E277 WeakPolarHBondContact CB-OE2 3.1Å; T257-E277 PolarHBondContact N-OE2 2.92Å; T257-E277 PolarHBondContact OG1-OE2 3.15Å; G258-E277 PolarHBondContact N-OE2 3.41Å; G258-E277 VanDerWaalsContact N-OE2 3.12Å; N259-E277 CarbonylContact O-C 3.54Å; N259-E277 WeakPolarHBondContact O-CA 3.38Å; T275-E277 PolarHBondContact OG1-OE1 2.78Å; E277-P279 WeakPolarHBondContact O-CD 3.5Å; E277-D288 HydrophobicContact CB-CB 4.44Å; E277-D288 PolarHBondContact N-O 3.01Å; E277-D288 PolarHBondContact O-N 3.31Å; E277-Y292 WeakPolarHBondContact OE1-CE2 3.2Å; E277-Y292 PolarHBondContact OE1-OH 3.32Å; E277-Y292 VanDerWaalsContact OE1-OH 3.06Å
278L93.1Very high86.4Confident46 Ų4656.9 Ų56.924%0.24133%0.333CS..EExtended strand (participates in β ladder)trans-99.8102.2174-54-176.8000108.1G258 N259 A280 A287 P313G258-L278 CarbonylContact C-O 3.56Å; G258-L278 WeakPolarHBondContact CA-O 3.34Å; N259-L278 HydrophobicContact CB-CB 4.39Å; N259-L278 PolarHBondContact N-O 3.47Å; N259-L278 PolarHBondContact O-N 3.43Å; L278-A280 PolarHBondContact O-N 3.2Å; L278-A287 HydrophobicContact CD2-CB 4.14Å; L278-P313 HydrophobicContact CD1-CG 3.99Å; L278-P313 HydrophobicContact CD2-CG 3.28Å; L278-P313 HydrophobicContact CG-CG 4.29Å
279P89.4Confident86.8Confident50 Ų5052.2 Ų52.233%0.32531%0.31SS..  trans-62.3135.8-178.224.7-32.1000110.3E277 S286E277-P279 WeakPolarHBondContact O-CD 3.5Å; P279-S286 WeakPolarHBondContact CG-OG 3.43Å
280A75.1Confident87Confident91 Ų9147.5 Ų47.575%0.75229%0.288SS*.  trans-87.5110.8173.100000108.8L278L278-A280 PolarHBondContact O-N 3.2Å
281G66.9Low87.6Confident52 Ų5245.1 Ų45.154%0.53628%0.279SS..SBendtrans-179.8166.3176.300000114.4Q283G281-Q283 PolarHBondContact O-N 2.88Å
282P60.8Low88Confident136 Ų13639.6 Ų39.688%0.88326%0.257SS*.SBendtrans-73.6-3.6176.130.8-35000113.3G284P282-G284 VanDerWaalsContact C-N 3.26Å; P282-G284 PolarHBondContact O-N 3.46Å
283Q61.6Low87.9Confident183 Ų18341.9 Ų41.986%0.85527%0.267SS*.SBendtrans-82.862-173.7-64.9-174.1-3.100111.9G281G281-Q283 PolarHBondContact O-N 2.88Å
284G73.9Confident87.3Confident62 Ų6244.4 Ų44.464%0.63929%0.285SS*.  trans61.3-179.3175.900000114.4P282P282-G284 VanDerWaalsContact C-N 3.26Å; P282-G284 PolarHBondContact O-N 3.46Å
285L89.8Confident86.4Confident85 Ų8546 Ų4645%0.44530%0.299SS..SBendtrans-92.2124.8174.6-67.5168.8000108.8L309 P312L285-L309 HydrophobicContact CB-CB 4.4Å; L285-L309 PolarHBondContact O-N 2.85Å; L285-P312 HydrophobicContact CD1-CG 3.99Å; L285-P312 HydrophobicContact CD2-CG 4.02Å
286S93.2Very high85.2Confident22 Ų2258 Ų5815%0.15435%0.345CS..EExtended strand (participates in β ladder)trans-144.6164.7174.362.50000111.4P279 I307P279-S286 WeakPolarHBondContact CG-OG 3.43Å; S286-I307 CarbonylContact C-O 3.53Å; S286-I307 WeakPolarHBondContact CA-O 3.45Å; S286-I307 VanDerWaalsContact CB-O 3.24Å; S286-I307 WeakPolarHBondContact CB-O 3.47Å
287A95.3Very high84.1Confident0 Ų060.2 Ų60.20%037%0.368CS..EExtended strand (participates in β ladder)trans-122.5128.5164.500000108.9V276 L278 I307 L309 L327V276-A287 HydrophobicContact CG1-CB 4.3Å; L278-A287 HydrophobicContact CD2-CB 4.14Å; A287-I307 PolarHBondContact N-O 3.43Å; A287-I307 WeakPolarHBondContact O-CB 3.41Å; A287-I307 PolarHBondContact O-N 3.39Å; A287-L309 HydrophobicContact CB-CD1 3.77Å; A287-L327 HydrophobicContact CB-CD1 3.9Å
288D95.2Very high83.4Confident18 Ų1868.6 Ų68.610%0.09640%0.399CS..EExtended strand (participates in β ladder)trans-97.2121179-69.6-12.2000109.4V276 E277 I304 T305 S306V276-D288 CarbonylContact C-O 3.52Å; V276-D288 WeakPolarHBondContact CA-O 3.41Å; E277-D288 HydrophobicContact CB-CB 4.44Å; E277-D288 PolarHBondContact N-O 3.01Å; E277-D288 PolarHBondContact O-N 3.31Å; D288-I304 HydrophobicContact CB-CG2 4.14Å; D288-T305 WeakPolarHBondContact CA-O 3.24Å; D288-S306 WeakPolarHBondContact OD1-CA 3.48Å; D288-S306 WeakPolarHBondContact OD1-CB 3.31Å; D288-S306 PolarHBondContact OD1-OG 3.21Å
289T95.9Very high83.1Confident14 Ų1467 Ų679%0.08639%0.391CS..EExtended strand (participates in β ladder)trans-90.5117.1169.168.20000108.6T275 I304 T305 I307 L325T275-T289 WeakPolarHBondContact O-CA 3.38Å; T289-I304 CarbonylContact O-C 3.56Å; T289-I304 WeakPolarHBondContact O-CA 3.4Å; T289-T305 PolarHBondContact N-O 2.94Å; T289-T305 PolarHBondContact O-N 2.91Å; T289-T305 WeakPolarHBondContact OG1-CB 3.1Å; T289-T305 PolarHBondContact OG1-O 3.14Å; T289-I307 HydrophobicContact CG2-CD1 3.64Å; T289-L325 HydrophobicContact CG2-CD2 3.43Å; T289-L325 VanDerWaalsContact CG2-CD2 3.43Å
290C95.1Very high83Confident2 Ų269 Ų691%0.01440%0.396CS..EExtended strand (participates in β ladder)trans-115.1147.5-179.4-52.40000111.3T275 Y292 R301 S303T275-C290 PolarHBondContact N-O 2.82Å; T275-C290 PolarHBondContact O-N 3.4Å; T275-C290 WeakPolarHBondContact OG1-CB 3.24Å; C290-Y292 HydrophobicContact CB-CD2 4.14Å; C290-Y292 HydrophobicContact CB-CE2 3.62Å; C290-R301 HydrophobicContact CB-CG 4.13Å; C290-S303 VanDerWaalsContact CA-O 3.3Å; C290-S303 WeakPolarHBondContact CA-O 3.29Å
291V95.6Very high83.9Confident24 Ų2469 Ų6915%0.14538%0.377CS..EExtended strand (participates in β ladder)trans-111.4132.3168.3-176.20000108.7Q272 I273 L274 R301 T302 S303Q272-V291 HydrophobicContact CB-CG1 4.37Å; Q272-V291 HydrophobicContact CG-CG1 4.24Å; I273-V291 WeakPolarHBondContact O-CA 3.5Å; L274-V291 HydrophobicContact CD2-CB 4.46Å; L274-V291 HydrophobicContact CD2-CG1 4.22Å; L274-V291 HydrophobicContact CD2-CG2 3.81Å; V291-R301 CarbonylContact O-C 3.52Å; V291-R301 WeakPolarHBondContact O-CA 3.35Å; V291-T302 PolarHBondContact O-N 3.16Å; V291-T302 PolarHBondContact O-OG1 3.05Å; V291-S303 WeakPolarHBondContact CB-OG 3.46Å; V291-S303 WeakPolarHBondContact CG2-OG 3.34Å; V291-S303 PolarHBondContact N-O 3.48Å
292Y94.4Very high85.1Confident4 Ų470 Ų702%0.01637%0.372CS..EExtended strand (participates in β ladder)trans-119.1138.9176.3-71.8-100.1000110.6V254 Q272 I273 T275 E277 C290 L299 H300 R301V254-Y292 HydrophobicContact CG1-CD1 4.32Å; V254-Y292 HydrophobicContact CG1-CE1 3.96Å; V254-Y292 HydrophobicContact CG2-CE1 4.45Å; Q272-Y292 WeakPolarHBondContact CA-O 3.47Å; I273-Y292 PolarHBondContact N-O 2.84Å; I273-Y292 PolarHBondContact O-N 2.8Å; T275-Y292 HydrophobicContact CG2-CD2 3.9Å; T275-Y292 HydrophobicContact CG2-CE2 3.91Å; E277-Y292 WeakPolarHBondContact OE1-CE2 3.2Å; E277-Y292 PolarHBondContact OE1-OH 3.32Å; E277-Y292 VanDerWaalsContact OE1-OH 3.06Å; C290-Y292 HydrophobicContact CB-CD2 4.14Å; C290-Y292 HydrophobicContact CB-CE2 3.62Å; Y292-L299 HydrophobicContact CD1-CD2 4.19Å; Y292-L299 HydrophobicContact CD1-CG 3.97Å; Y292-L299 HydrophobicContact CG-CD2 4.48Å; Y292-L299 HydrophobicContact CG-CG 4.39Å; Y292-H300 CarbonylContact C-O 3.54Å; Y292-H300 VanDerWaalsContact CA-O 3.3Å; Y292-H300 WeakPolarHBondContact CA-O 3.49Å; Y292-R301 HydrophobicContact CD1-CB 3.86Å; Y292-R301 HydrophobicContact CD1-CG 4.42Å; Y292-R301 HydrophobicContact CD2-CG 4.47Å; Y292-R301 HydrophobicContact CE1-CB 3.62Å; Y292-R301 HydrophobicContact CE1-CG 4.13Å; Y292-R301 HydrophobicContact CE2-CG 4.15Å; Y292-R301 HydrophobicContact CG-CB 4.44Å
293E91.4Very high86.6Confident75 Ų7565.8 Ų65.835%0.3535%0.346SS..EExtended strand (participates in β ladder)trans-127.2138.5177.1-77.1178.7-170.200111Q272 A295 H300 T302Q272-E293 HydrophobicContact CG-CG 3.76Å; Q272-E293 PolarHBondContact NE2-OE1 2.93Å; E293-A295 PolarHBondContact O-N 2.88Å; E293-H300 PolarHBondContact N-O 3.03Å; E293-H300 PolarHBondContact O-N 3.31Å; E293-T302 HydrophobicContact CB-CG2 3.86Å; E293-T302 HydrophobicContact CG-CG2 3.91Å
294C82.1Confident88.2Confident55 Ų5561 Ų6137%0.37233%0.325SS..EExtended strand (participates in β ladder)trans-86109.4173.8-170.40000109.5L237 R298 L299L237-C294 HydrophobicContact CD1-CB 4.2Å; C294-R298 WeakPolarHBondContact CA-O 3.46Å; C294-L299 HydrophobicContact CB-CD1 4.26Å
295A76.6Confident89.1Confident46 Ų4659.8 Ų59.838%0.3831%0.306SS..EExtended strand (participates in β ladder)trans-124.5129.9174.100000109.8E293 G297 R298E293-A295 PolarHBondContact O-N 2.88Å; A295-G297 VanDerWaalsContact C-N 3.26Å; A295-G297 PolarHBondContact O-N 2.88Å; A295-R298 PolarHBondContact N-O 2.85Å; A295-R298 PolarHBondContact O-N 2.89Å; A295-R298 VanDerWaalsContact O-O 3.06Å
296R72.6Confident89.3Confident253 Ų25359 Ų5996%0.95531%0.308SS*.THydrogen-bonded Turntrans55.137.3177-53.3178.7-178.5-1740.2113.9R298R296-R298 VanDerWaalsContact C-N 3.27Å; R296-R298 PolarHBondContact O-N 2.68Å
297G72.3Confident89.4Confident47 Ų4758 Ų5849%0.48530%0.301SS..THydrogen-bonded Turntrans7218.9-18000000114.1C252 A295C252-G297 WeakPolarHBondContact CB-O 3.39Å; A295-G297 VanDerWaalsContact C-N 3.26Å; A295-G297 PolarHBondContact O-N 2.88Å
298R80.7Confident89.3Confident175 Ų17562.8 Ų62.866%0.6633%0.331SS*.EExtended strand (participates in β ladder)trans-130.5143.1173.9-67.6-175.9-177.7-170.8-0.3109.8C294 A295 R296 H300C294-R298 WeakPolarHBondContact CA-O 3.46Å; A295-R298 PolarHBondContact N-O 2.85Å; A295-R298 PolarHBondContact O-N 2.89Å; A295-R298 VanDerWaalsContact O-O 3.06Å; R296-R298 VanDerWaalsContact C-N 3.27Å; R296-R298 PolarHBondContact O-N 2.68Å; R298-H300 WeakPolarHBondContact CB-NE2 3.44Å
299L86.9Confident89.3Confident12 Ų1262.6 Ų62.66%0.06333%0.331CS..EExtended strand (participates in β ladder)trans-90.5119.4175.4-165.363.5000109.1L235 L237 V254 I273 Y292 C294L235-L299 HydrophobicContact CD2-CD2 3.14Å; L237-L299 HydrophobicContact CD1-CD1 3.93Å; L237-L299 HydrophobicContact CD1-CD2 4.4Å; L237-L299 HydrophobicContact CG-CD2 4.49Å; V254-L299 HydrophobicContact CB-CB 4.4Å; V254-L299 HydrophobicContact CB-CD2 4.49Å; V254-L299 HydrophobicContact CG1-CB 4.45Å; V254-L299 HydrophobicContact CG1-CD2 3.72Å; V254-L299 HydrophobicContact CG1-CG 4.36Å; I273-L299 HydrophobicContact CD1-CD1 3.83Å; I273-L299 HydrophobicContact CD1-CD2 3.92Å; Y292-L299 HydrophobicContact CD1-CD2 4.19Å; Y292-L299 HydrophobicContact CD1-CG 3.97Å; Y292-L299 HydrophobicContact CG-CD2 4.48Å; Y292-L299 HydrophobicContact CG-CG 4.39Å; C294-L299 HydrophobicContact CB-CD1 4.26Å
300H88.6Confident89.2Confident93 Ų9365.7 Ų65.743%0.43135%0.351SS..EExtended strand (participates in β ladder)trans-116.4135.7-179-66.5-69.2000109.9Y292 E293 R298 T302Y292-H300 CarbonylContact C-O 3.54Å; Y292-H300 VanDerWaalsContact CA-O 3.3Å; Y292-H300 WeakPolarHBondContact CA-O 3.49Å; E293-H300 PolarHBondContact N-O 3.03Å; E293-H300 PolarHBondContact O-N 3.31Å; R298-H300 WeakPolarHBondContact CB-NE2 3.44Å; H300-T302 PolarHBondContact O-N 3.18Å
301R92.3Very high89.1Confident91 Ų9166.2 Ų66.234%0.34336%0.355SS..EExtended strand (participates in β ladder)trans-79.2118.9172.2-170.4169.562.1174.4-1109.4T257 C290 V291 Y292 I304T257-R301 VanDerWaalsContact CG2-NH2 3.34Å; T257-R301 PolarHBondContact OG1-NH1 3.34Å; C290-R301 HydrophobicContact CB-CG 4.13Å; V291-R301 CarbonylContact O-C 3.52Å; V291-R301 WeakPolarHBondContact O-CA 3.35Å; Y292-R301 HydrophobicContact CD1-CB 3.86Å; Y292-R301 HydrophobicContact CD1-CG 4.42Å; Y292-R301 HydrophobicContact CD2-CG 4.47Å; Y292-R301 HydrophobicContact CE1-CB 3.62Å; Y292-R301 HydrophobicContact CE1-CG 4.13Å; Y292-R301 HydrophobicContact CE2-CG 4.15Å; Y292-R301 HydrophobicContact CG-CB 4.44Å; R301-I304 HydrophobicContact CG-CG1 4.18Å; R301-I304 VanDerWaalsContact NE-CD1 3.32Å
302T92.9Very high89Confident73 Ų7367.4 Ų67.445%0.44836%0.363SS..EExtended strand (participates in β ladder)trans-95.9-34.8-174.554.90000112.7V291 E293 H300V291-T302 PolarHBondContact O-N 3.16Å; V291-T302 PolarHBondContact O-OG1 3.05Å; E293-T302 HydrophobicContact CB-CG2 3.86Å; E293-T302 HydrophobicContact CG-CG2 3.91Å; H300-T302 PolarHBondContact O-N 3.18Å
303S92.6Very high89Confident48 Ų4868 Ų6834%0.33637%0.367SS..EExtended strand (participates in β ladder)trans-143.8156.2177.7680000112.1C290 V291C290-S303 VanDerWaalsContact CA-O 3.3Å; C290-S303 WeakPolarHBondContact CA-O 3.29Å; V291-S303 WeakPolarHBondContact CB-OG 3.46Å; V291-S303 WeakPolarHBondContact CG2-OG 3.34Å; V291-S303 PolarHBondContact N-O 3.48Å
304I94.3Very high89.1Confident81 Ų8167.3 Ų67.342%0.41537%0.365SS..EExtended strand (participates in β ladder)trans-141.5136.1175.7-50.9162.5000106.8D288 T289 R301D288-I304 HydrophobicContact CB-CG2 4.14Å; T289-I304 CarbonylContact O-C 3.56Å; T289-I304 WeakPolarHBondContact O-CA 3.4Å; R301-I304 HydrophobicContact CG-CG1 4.18Å; R301-I304 VanDerWaalsContact NE-CD1 3.32Å
305T94.1Very high89.6Confident37 Ų3765.3 Ų65.323%0.22735%0.352CS..EExtended strand (participates in β ladder)trans-132.7118.9169-60.10000108.3D288 T289 Y337D288-T305 WeakPolarHBondContact CA-O 3.24Å; T289-T305 PolarHBondContact N-O 2.94Å; T289-T305 PolarHBondContact O-N 2.91Å; T289-T305 WeakPolarHBondContact OG1-CB 3.1Å; T289-T305 PolarHBondContact OG1-O 3.14Å; T305-Y337 HydrophobicContact CG2-CE1 3.98Å; T305-Y337 VanDerWaalsContact CG2-OH 3.23Å; T305-Y337 WeakPolarHBondContact CG2-OH 2.9Å
306S94Very high90.5Very high70 Ų7064.3 Ų64.349%0.4934%0.342SS..EExtended strand (participates in β ladder)trans-92.8124.4-177.9-160.50000110.3D288D288-S306 WeakPolarHBondContact OD1-CA 3.48Å; D288-S306 WeakPolarHBondContact OD1-CB 3.31Å; D288-S306 PolarHBondContact OD1-OG 3.21Å
307I94.7Very high91.6Very high1 Ų153.1 Ų53.11%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-105.6114.5-178.7-55.6165.7000107.6S286 A287 T289 L309 L325 L327 V335 Y337S286-I307 CarbonylContact C-O 3.53Å; S286-I307 WeakPolarHBondContact CA-O 3.45Å; S286-I307 VanDerWaalsContact CB-O 3.24Å; S286-I307 WeakPolarHBondContact CB-O 3.47Å; A287-I307 PolarHBondContact N-O 3.43Å; A287-I307 WeakPolarHBondContact O-CB 3.41Å; A287-I307 PolarHBondContact O-N 3.39Å; T289-I307 HydrophobicContact CG2-CD1 3.64Å; I307-L309 HydrophobicContact CG2-CD2 4.14Å; I307-L325 HydrophobicContact CD1-CD2 4.04Å; I307-L327 HydrophobicContact CD1-CD1 4.5Å; I307-V335 HydrophobicContact CG2-CG1 4.44Å; I307-Y337 HydrophobicContact CD1-CD1 3.48Å; I307-Y337 VanDerWaalsContact CD1-CD1 3.48Å; I307-Y337 HydrophobicContact CD1-CD2 4.26Å; I307-Y337 HydrophobicContact CD1-CE1 4.18Å; I307-Y337 HydrophobicContact CD1-CG 3.52Å; I307-Y337 HydrophobicContact CG1-CD1 3.9Å; I307-Y337 HydrophobicContact CG1-CD2 4.02Å; I307-Y337 HydrophobicContact CG1-CE1 4.21Å; I307-Y337 HydrophobicContact CG1-CE2 4.33Å; I307-Y337 HydrophobicContact CG1-CG 3.79Å; I307-Y337 HydrophobicContact CG2-CD2 4.27Å; I307-Y337 HydrophobicContact CG2-CG 4.38Å
308P93.8Very high92.7Very high99 Ų9952.9 Ų52.964%0.64329%0.287SS*.EExtended strand (participates in β ladder)trans-69.3136.3176.928.6-33.5000110.6
309L94.7Very high93.4Very high15 Ų1545.2 Ų45.28%0.07926%0.258CS..  trans-122.4141.4-176.4-60179.2000111.8L285 A287 I307 S311 P313 L327 L329 V335L285-L309 HydrophobicContact CB-CB 4.4Å; L285-L309 PolarHBondContact O-N 2.85Å; A287-L309 HydrophobicContact CB-CD1 3.77Å; I307-L309 HydrophobicContact CG2-CD2 4.14Å; L309-S311 VanDerWaalsContact C-N 3.33Å; L309-P313 HydrophobicContact CD1-CB 4.29Å; L309-P313 HydrophobicContact CD1-CG 3.9Å; L309-L327 HydrophobicContact CD1-CD1 4.31Å; L309-L327 HydrophobicContact CD2-CD1 3.79Å; L309-L329 HydrophobicContact CD1-CD2 4.22Å; L309-L329 HydrophobicContact CD2-CD2 4.35Å; L309-V335 HydrophobicContact CD2-CB 4.3Å; L309-V335 HydrophobicContact CD2-CG1 4.21Å; L309-V335 HydrophobicContact CD2-CG2 4.18Å
310P93.2Very high93.6Very high78 Ų7846.3 Ų46.351%0.50627%0.266SS..SBendtrans-74.8-23.9174.430.4-35.3000113.1L329 L346P310-L329 HydrophobicContact CG-CD1 3.57Å; P310-L346 HydrophobicContact CG-CD1 4.12Å
311S93.9Very high93.6Very high14 Ų1443.2 Ų43.210%0.09826%0.255CS..SBendtrans-151155.4-173.7-179.70000110.3L309 D331L309-S311 VanDerWaalsContact C-N 3.33Å; S311-D331 VanDerWaalsContact CB-OD2 3.29Å; S311-D331 WeakPolarHBondContact CB-OD2 3.16Å; S311-D331 PolarHBondContact OG-N 3.14Å
312P92.9Very high93.6Very high49 Ų4940.1 Ų40.132%0.31824%0.244SC..  trans-62.3137-179.1-22.333.9000112L285 R330L285-P312 HydrophobicContact CD1-CG 3.99Å; L285-P312 HydrophobicContact CD2-CG 4.02Å; P312-R330 WeakPolarHBondContact O-CB 3.37Å; P312-R330 PolarHBondContact O-N 2.97Å
313P94.4Very high93.5Very high15 Ų1538.3 Ų38.310%0.09723%0.233CC..EExtended strand (participates in β ladder)trans-72.5145.3176.929.9-32.6000111.5L261 L278 L309 G328 L329L261-P313 HydrophobicContact CD2-CB 4.05Å; L261-P313 HydrophobicContact CD2-CG 4.28Å; L278-P313 HydrophobicContact CD1-CG 3.99Å; L278-P313 HydrophobicContact CD2-CG 3.28Å; L278-P313 HydrophobicContact CG-CG 4.29Å; L309-P313 HydrophobicContact CD1-CB 4.29Å; L309-P313 HydrophobicContact CD1-CG 3.9Å; P313-G328 CarbonylContact C-O 3.39Å; P313-G328 WeakPolarHBondContact CA-O 3.46Å; P313-L329 HydrophobicContact CB-CD2 3.85Å
314L92.6Very high93.6Very high62 Ų6236.1 Ų36.133%0.32522%0.218SC..EExtended strand (participates in β ladder)trans-107.4-36.4175.6-67.4-179.2000112G328 R330 P352L314-G328 PolarHBondContact N-O 3.34Å; L314-R330 HydrophobicContact CD1-CB 4.19Å; L314-R330 HydrophobicContact CD1-CG 4.48Å; L314-R330 HydrophobicContact CD2-CB 4.14Å; L314-R330 HydrophobicContact CD2-CG 4.34Å; L314-R330 HydrophobicContact CG-CB 4.02Å; L314-P352 HydrophobicContact CD1-CB 3.98Å
315S94.1Very high93.7Very high12 Ų1232.4 Ų32.48%0.08420%0.199CC..EExtended strand (participates in β ladder)trans-145.3158.7-175.5550000109.8G328 P353 M356S315-G328 PolarHBondContact N-O 2.8Å; S315-G328 PolarHBondContact O-N 2.83Å; S315-P353 PolarHBondContact OG-O 2.9Å; S315-M356 WeakPolarHBondContact O-CE 3.19Å; S315-M356 VanDerWaalsContact OG-CE 3.24Å; S315-M356 WeakPolarHBondContact OG-CE 3.29Å
316C95.6Very high93.8Very high25 Ų2530.7 Ų30.717%0.16919%0.188CC..EExtended strand (participates in β ladder)trans-140.8155.417273.10000111.3L261 D262 L325 L326 L327 M356L261-C316 HydrophobicContact CD2-CB 3.75Å; L261-C316 HydrophobicContact CG-CB 4.34Å; D262-C316 WeakPolarHBondContact CB-SG 3.33Å; C316-L325 HydrophobicContact CB-CD1 4.35Å; C316-L326 CarbonylContact C-O 3.6Å; C316-L326 VanDerWaalsContact CA-O 3.29Å; C316-L326 WeakPolarHBondContact CA-O 3.49Å; C316-L327 HydrophobicContact CB-CD2 3.56Å; C316-M356 VanDerWaalsContact N-CE 3.28Å
317S95.4Very high94Very high18 Ų1827.3 Ų27.313%0.12617%0.165CC..EExtended strand (participates in β ladder)trans-149.1129.9173.1-162.80000110.2L326 W358S317-L326 PolarHBondContact N-O 3.25Å; S317-L326 WeakPolarHBondContact O-CB 3.36Å; S317-L326 PolarHBondContact O-N 3.31Å; S317-W358 PolarHBondContact O-NE1 3.33Å
318R95Very high94.1Very high42 Ų4227.3 Ų27.316%0.15817%0.165CC..EExtended strand (participates in β ladder)trans-93135.3179.8-168.6169.1-58.2-73.2-5.7110.4V276V276-R318 VanDerWaalsContact CG2-NH2 3.29Å
319H94.8Very high94.2Very high14 Ų1422.6 Ų22.67%0.06513%0.134CC..  trans-67.8148.1173.7-176.5-88000110.4C321 E322 I324 W358 G362H319-C321 WeakPolarHBondContact ND1-CB 3.39Å; H319-C321 PolarHBondContact ND1-N 3.03Å; H319-C321 PolarHBondContact ND1-SG 2.67Å; H319-C321 PolarHBondContact O-N 2.9Å; H319-C321 VanDerWaalsContact O-N 3.08Å; H319-E322 WeakPolarHBondContact O-CA 3.21Å; H319-E322 PolarHBondContact O-N 3.45Å; H319-I324 HydrophobicContact CB-CB 3.7Å; H319-I324 HydrophobicContact CB-CG2 4.27Å; H319-I324 WeakPolarHBondContact CB-O 3.3Å; H319-I324 PolarHBondContact N-O 2.85Å; H319-W358 HydrophobicContact CB-CD2 4.29Å; H319-W358 HydrophobicContact CB-CG 4.49Å; H319-W358 AromaticContact CD2-CD2 3.88Å; H319-W358 AromaticContact CD2-CE3 3.59Å; H319-W358 AromaticContact CD2-CZ3 3.75Å; H319-G362 PolarHBondContact CD2-O 3.01Å; H319-G362 WeakPolarHBondContact NE2-CA 3.44Å; H319-G362 PolarHBondContact NE2-O 3.48Å
320P90.9Very high94.2Very high35 Ų3529.4 Ų29.423%0.22716%0.159CC..THydrogen-bonded Turntrans-54.6-27179.9-29.436000115.8E322P320-E322 PolarHBondContact O-N 2.93Å
321C89.4Confident94.3Very high29 Ų2929.4 Ų29.420%0.19615%0.154CC..THydrogen-bonded Turntrans-78.9-1.5174.379.50000114.5H319 T323H319-C321 WeakPolarHBondContact ND1-CB 3.39Å; H319-C321 PolarHBondContact ND1-N 3.03Å; H319-C321 PolarHBondContact ND1-SG 2.67Å; H319-C321 PolarHBondContact O-N 2.9Å; H319-C321 VanDerWaalsContact O-N 3.08Å; C321-T323 PolarHBondContact O-N 2.79Å; C321-T323 PolarHBondContact SG-OG1 3.06Å
322E91.8Very high94.3Very high25 Ų2530 Ų3012%0.11716%0.159CC..SBendtrans63.9-13.8177.7-59.6178.7-177.700117.6S266 Q267 L268 L274 H319 P320S266-E322 VanDerWaalsContact CA-OE1 3.29Å; S266-E322 WeakPolarHBondContact CA-OE1 3.27Å; S266-E322 WeakPolarHBondContact CB-OE2 3.43Å; S266-E322 PolarHBondContact OG-OE1 3.02Å; S266-E322 PolarHBondContact OG-OE2 2.85Å; Q267-E322 WeakPolarHBondContact CA-OE1 3.35Å; Q267-E322 WeakPolarHBondContact CB-OE1 3.45Å; Q267-E322 PolarHBondContact N-OE1 3.45Å; L268-E322 HydrophobicContact CD1-CB 4.25Å; L268-E322 HydrophobicContact CD1-CG 4.23Å; L268-E322 HydrophobicContact CG-CG 4.31Å; L268-E322 PolarHBondContact N-OE1 3.49Å; L268-E322 VanDerWaalsContact N-OE1 3.13Å; L274-E322 HydrophobicContact CD1-CB 4.19Å; L274-E322 HydrophobicContact CD1-CG 4.05Å; H319-E322 WeakPolarHBondContact O-CA 3.21Å; H319-E322 PolarHBondContact O-N 3.45Å; P320-E322 PolarHBondContact O-N 2.93Å
323T90.4Very high94.5Very high36 Ų3628.1 Ų28.122%0.22115%0.146CC..SBendtrans-85.9-7.418062.20000114.3C321 Q339 R340C321-T323 PolarHBondContact O-N 2.79Å; C321-T323 PolarHBondContact SG-OG1 3.06Å; T323-Q339 WeakPolarHBondContact O-CB 3.19Å; T323-Q339 PolarHBondContact O-N 3.42Å; T323-R340 HydrophobicContact CG2-CG 4.08Å; T323-R340 WeakPolarHBondContact OG1-CD 3.11Å
324I94.8Very high94.6Very high1 Ų127.4 Ų27.41%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-118.9132177.5-58.5170000109.4H319 L336 Y337 D338 W358 V379H319-I324 HydrophobicContact CB-CB 3.7Å; H319-I324 HydrophobicContact CB-CG2 4.27Å; H319-I324 WeakPolarHBondContact CB-O 3.3Å; H319-I324 PolarHBondContact N-O 2.85Å; I324-L336 HydrophobicContact CG2-CD1 4.02Å; I324-L336 HydrophobicContact CG2-CD2 3.79Å; I324-L336 HydrophobicContact CG2-CG 3.73Å; I324-Y337 WeakPolarHBondContact CA-O 3.44Å; I324-D338 HydrophobicContact CG1-CB 4.4Å; I324-W358 HydrophobicContact CG2-CZ2 4.4Å; I324-V379 HydrophobicContact CD1-CG2 4.19Å
325L96.8Very high94.8Very high3 Ų324.7 Ų24.72%0.01613%0.128CC..EExtended strand (participates in β ladder)trans-121128.2175.6179.664.3000110.4V276 T289 I307 C316 L327 L336 Y337V276-L325 HydrophobicContact CG1-CD2 4.3Å; V276-L325 HydrophobicContact CG2-CD1 4Å; V276-L325 HydrophobicContact CG2-CD2 3.85Å; T289-L325 HydrophobicContact CG2-CD2 3.43Å; T289-L325 VanDerWaalsContact CG2-CD2 3.43Å; I307-L325 HydrophobicContact CD1-CD2 4.04Å; C316-L325 HydrophobicContact CB-CD1 4.35Å; L325-L327 HydrophobicContact CD2-CD1 4.33Å; L325-L327 HydrophobicContact CD2-CD2 4.12Å; L325-L327 HydrophobicContact CD2-CG 4.19Å; L325-L327 HydrophobicContact CG-CD2 4.29Å; L325-L327 HydrophobicContact CG-CG 4.18Å; L325-L336 WeakPolarHBondContact O-CA 3.16Å; L325-Y337 PolarHBondContact N-O 3.13Å; L325-Y337 PolarHBondContact O-N 3.1Å
326L97.7Very high94.9Very high1 Ų124.2 Ų24.21%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-102.3129.6171.9-174.262.2000109.9C316 S317 L334 L336 M356 W358 A365 M367 L381C316-L326 CarbonylContact C-O 3.6Å; C316-L326 VanDerWaalsContact CA-O 3.29Å; C316-L326 WeakPolarHBondContact CA-O 3.49Å; S317-L326 PolarHBondContact N-O 3.25Å; S317-L326 WeakPolarHBondContact O-CB 3.36Å; S317-L326 PolarHBondContact O-N 3.31Å; L326-L334 HydrophobicContact CD1-CB 4.27Å; L326-L334 HydrophobicContact CD1-CD2 4.38Å; L326-L336 HydrophobicContact CD1-CB 4.15Å; L326-M356 HydrophobicContact CD2-SD 3.79Å; L326-M356 HydrophobicContact CG-SD 3.79Å; L326-W358 HydrophobicContact CB-CZ2 4.07Å; L326-W358 HydrophobicContact CD2-CZ2 4.2Å; L326-A365 HydrophobicContact CD2-CB 3.85Å; L326-M367 HydrophobicContact CD2-SD 3.75Å; L326-L381 HydrophobicContact CD1-CD1 3.63Å
327L97.5Very high95Very high0 Ų024.5 Ų24.50%012%0.122CC..EExtended strand (participates in β ladder)trans-121.6128.9178.6-66.1170.2000109.7L261 V276 A287 I307 L309 C316 L325 L329 L334 V335L261-L327 HydrophobicContact CD2-CD2 4.37Å; V276-L327 HydrophobicContact CG1-CD2 4.24Å; A287-L327 HydrophobicContact CB-CD1 3.9Å; I307-L327 HydrophobicContact CD1-CD1 4.5Å; L309-L327 HydrophobicContact CD1-CD1 4.31Å; L309-L327 HydrophobicContact CD2-CD1 3.79Å; C316-L327 HydrophobicContact CB-CD2 3.56Å; L325-L327 HydrophobicContact CD2-CD1 4.33Å; L325-L327 HydrophobicContact CD2-CD2 4.12Å; L325-L327 HydrophobicContact CD2-CG 4.19Å; L325-L327 HydrophobicContact CG-CD2 4.29Å; L325-L327 HydrophobicContact CG-CG 4.18Å; L327-L329 HydrophobicContact CB-CD2 4.26Å; L327-L334 CarbonylContact O-C 3.58Å; L327-L334 WeakPolarHBondContact O-CA 3.32Å; L327-V335 HydrophobicContact CB-CB 4.33Å; L327-V335 PolarHBondContact N-O 3.27Å; L327-V335 PolarHBondContact O-N 3.25Å
328G96.8Very high94.9Very high0 Ų023.7 Ų23.70%012%0.116CC..EExtended strand (participates in β ladder)trans-99.9125.2174.100000110.4P313 L314 S315 M356P313-G328 CarbonylContact C-O 3.39Å; P313-G328 WeakPolarHBondContact CA-O 3.46Å; L314-G328 PolarHBondContact N-O 3.34Å; S315-G328 PolarHBondContact N-O 2.8Å; S315-G328 PolarHBondContact O-N 2.83Å; G328-M356 VanDerWaalsContact N-CE 3.25Å
329L96.1Very high94.7Very high0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-106158.3-170.8-52.9-168.5000112.9L309 P310 P313 L327 D331 S332 S333 V335L309-L329 HydrophobicContact CD1-CD2 4.22Å; L309-L329 HydrophobicContact CD2-CD2 4.35Å; P310-L329 HydrophobicContact CG-CD1 3.57Å; P313-L329 HydrophobicContact CB-CD2 3.85Å; L327-L329 HydrophobicContact CB-CD2 4.26Å; L329-D331 VanDerWaalsContact C-N 3.25Å; L329-D331 VanDerWaalsContact CB-OD1 3.26Å; L329-D331 WeakPolarHBondContact CB-OD1 3.46Å; L329-D331 PolarHBondContact O-N 2.98Å; L329-S332 PolarHBondContact O-N 2.91Å; L329-S333 WeakPolarHBondContact CB-O 3.33Å; L329-S333 WeakPolarHBondContact CD1-OG 3.45Å; L329-S333 PolarHBondContact N-O 2.75Å; L329-V335 HydrophobicContact CD1-CG2 3.72Å; L329-V335 HydrophobicContact CG-CG2 4.35Å
330R94.4Very high94.4Very high158 Ų15828.3 Ų28.360%0.59614%0.137SC*.THydrogen-bonded Turntrans-67.2-23.5-177.1-172.9177-65.2-117.5-0.5114.2P312 L314 S332P312-R330 WeakPolarHBondContact O-CB 3.37Å; P312-R330 PolarHBondContact O-N 2.97Å; L314-R330 HydrophobicContact CD1-CB 4.19Å; L314-R330 HydrophobicContact CD1-CG 4.48Å; L314-R330 HydrophobicContact CD2-CB 4.14Å; L314-R330 HydrophobicContact CD2-CG 4.34Å; L314-R330 HydrophobicContact CG-CB 4.02Å; R330-S332 PolarHBondContact O-N 2.99Å
331D94.5Very high94.1Very high78 Ų7829.8 Ų29.842%0.41714%0.138SC..THydrogen-bonded Turntrans-8212.6177.165.4-10000113.3S311 L329 S333S311-D331 VanDerWaalsContact CB-OD2 3.29Å; S311-D331 WeakPolarHBondContact CB-OD2 3.16Å; S311-D331 PolarHBondContact OG-N 3.14Å; L329-D331 VanDerWaalsContact C-N 3.25Å; L329-D331 VanDerWaalsContact CB-OD1 3.26Å; L329-D331 WeakPolarHBondContact CB-OD1 3.46Å; L329-D331 PolarHBondContact O-N 2.98Å; D331-S333 WeakPolarHBondContact OD1-CB 3.5Å; D331-S333 PolarHBondContact OD1-N 3.19Å; D331-S333 PolarHBondContact OD1-OG 3.41Å; D331-S333 PolarHBondContact OD2-OG 2.74Å
332S95.1Very high94.1Very high27 Ų2732 Ų3219%0.18916%0.158CC..SBendtrans63.840.5-174.5-42.90000112.7L329 R330 C349 P352L329-S332 PolarHBondContact O-N 2.91Å; R330-S332 PolarHBondContact O-N 2.99Å; S332-C349 WeakPolarHBondContact CB-O 3.48Å; S332-C349 WeakPolarHBondContact O-CA 3.5Å; S332-C349 WeakPolarHBondContact O-CB 3.44Å; S332-C349 PolarHBondContact O-N 3.47Å; S332-C349 VanDerWaalsContact O-O 3.08Å; S332-P352 VanDerWaalsContact OG-CD 3.3Å; S332-P352 WeakPolarHBondContact OG-CD 3.09Å; S332-P352 WeakPolarHBondContact OG-CG 3.33Å
333S95.5Very high93.9Very high9 Ų933.8 Ų33.86%0.06317%0.171CC..EExtended strand (participates in β ladder)trans-121.2161.117070.40000112.1L329 D331 A347L329-S333 WeakPolarHBondContact CB-O 3.33Å; L329-S333 WeakPolarHBondContact CD1-OG 3.45Å; L329-S333 PolarHBondContact N-O 2.75Å; D331-S333 WeakPolarHBondContact OD1-CB 3.5Å; D331-S333 PolarHBondContact OD1-N 3.19Å; D331-S333 PolarHBondContact OD1-OG 3.41Å; D331-S333 PolarHBondContact OD2-OG 2.74Å; S333-A347 CarbonylContact C-O 3.42Å; S333-A347 WeakPolarHBondContact CA-O 3.42Å
334L96.8Very high94Very high0 Ų035.4 Ų35.40%018%0.184CC..EExtended strand (participates in β ladder)trans-115.4136.5174-66.7170.6000109.9L326 L327 L346 A347 C349 P353 M356 M367 F377 L381L326-L334 HydrophobicContact CD1-CB 4.27Å; L326-L334 HydrophobicContact CD1-CD2 4.38Å; L327-L334 CarbonylContact O-C 3.58Å; L327-L334 WeakPolarHBondContact O-CA 3.32Å; L334-L346 CarbonylContact O-C 3.46Å; L334-L346 VanDerWaalsContact O-CA 3.28Å; L334-L346 WeakPolarHBondContact O-CA 3.23Å; L334-L346 WeakPolarHBondContact O-CD1 3.3Å; L334-A347 PolarHBondContact N-O 3.13Å; L334-A347 PolarHBondContact O-N 2.76Å; L334-C349 WeakPolarHBondContact CD1-SG 3.49Å; L334-C349 VanDerWaalsContact CG-SG 3.52Å; L334-P353 HydrophobicContact CD2-CB 4.05Å; L334-P353 HydrophobicContact CD2-CG 3.96Å; L334-M356 HydrophobicContact CD2-SD 4.2Å; L334-M367 HydrophobicContact CD1-CE 4.17Å; L334-M367 HydrophobicContact CD1-CG 4.18Å; L334-M367 HydrophobicContact CD1-SD 4.39Å; L334-M367 HydrophobicContact CD2-CE 3.22Å; L334-M367 HydrophobicContact CD2-SD 4.05Å; L334-M367 HydrophobicContact CG-CE 4.27Å; L334-F377 HydrophobicContact CD1-CD2 3.97Å; L334-F377 HydrophobicContact CD1-CE1 4.21Å; L334-F377 HydrophobicContact CD1-CE2 3.6Å; L334-F377 HydrophobicContact CD1-CG 4.43Å; L334-F377 HydrophobicContact CD1-CZ 3.74Å; L334-L381 HydrophobicContact CB-CD1 4.14Å; L334-L381 HydrophobicContact CB-CD2 4.24Å; L334-L381 HydrophobicContact CD1-CD1 4.1Å
335V97.2Very high93.9Very high6 Ų638.1 Ų38.14%0.03620%0.201CC..EExtended strand (participates in β ladder)trans-114.8118.4169.2174.10000108.4I307 L309 L327 L329 V345 L346I307-V335 HydrophobicContact CG2-CG1 4.44Å; L309-V335 HydrophobicContact CD2-CB 4.3Å; L309-V335 HydrophobicContact CD2-CG1 4.21Å; L309-V335 HydrophobicContact CD2-CG2 4.18Å; L327-V335 HydrophobicContact CB-CB 4.33Å; L327-V335 PolarHBondContact N-O 3.27Å; L327-V335 PolarHBondContact O-N 3.25Å; L329-V335 HydrophobicContact CD1-CG2 3.72Å; L329-V335 HydrophobicContact CG-CG2 4.35Å; V335-V345 WeakPolarHBondContact CA-O 3.24Å; V335-L346 HydrophobicContact CG2-CD1 3.53Å
336L97.3Very high93.9Very high2 Ų242.9 Ų42.91%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-99.8118167.8-174.9149.1000108.4I324 L325 L326 D338 S344 V345 W358 V379 L381I324-L336 HydrophobicContact CG2-CD1 4.02Å; I324-L336 HydrophobicContact CG2-CD2 3.79Å; I324-L336 HydrophobicContact CG2-CG 3.73Å; L325-L336 WeakPolarHBondContact O-CA 3.16Å; L326-L336 HydrophobicContact CD1-CB 4.15Å; L336-D338 HydrophobicContact CD2-CB 4.46Å; L336-S344 CarbonylContact O-C 3.52Å; L336-S344 VanDerWaalsContact O-CA 3.3Å; L336-S344 WeakPolarHBondContact O-CA 2.85Å; L336-V345 PolarHBondContact N-O 2.86Å; L336-V345 PolarHBondContact O-N 3.28Å; L336-W358 HydrophobicContact CD1-CH2 4.06Å; L336-W358 HydrophobicContact CD1-CZ2 4.14Å; L336-V379 WeakPolarHBondContact CD1-O 3.49Å; L336-L381 HydrophobicContact CB-CB 4.29Å; L336-L381 HydrophobicContact CB-CD1 4.23Å; L336-L381 HydrophobicContact CB-CD2 3.83Å; L336-L381 HydrophobicContact CB-CG 4.34Å; L336-L381 HydrophobicContact CD1-CB 4.18Å; L336-L381 HydrophobicContact CD1-CD1 4.36Å
337Y96.5Very high93.8Very high31 Ų3143.4 Ų43.412%0.12223%0.23CC..EExtended strand (participates in β ladder)trans-104.5123.9174.6178.3-106.3000109.9T305 I307 I324 L325 Q339T305-Y337 HydrophobicContact CG2-CE1 3.98Å; T305-Y337 VanDerWaalsContact CG2-OH 3.23Å; T305-Y337 WeakPolarHBondContact CG2-OH 2.9Å; I307-Y337 HydrophobicContact CD1-CD1 3.48Å; I307-Y337 VanDerWaalsContact CD1-CD1 3.48Å; I307-Y337 HydrophobicContact CD1-CD2 4.26Å; I307-Y337 HydrophobicContact CD1-CE1 4.18Å; I307-Y337 HydrophobicContact CD1-CG 3.52Å; I307-Y337 HydrophobicContact CG1-CD1 3.9Å; I307-Y337 HydrophobicContact CG1-CD2 4.02Å; I307-Y337 HydrophobicContact CG1-CE1 4.21Å; I307-Y337 HydrophobicContact CG1-CE2 4.33Å; I307-Y337 HydrophobicContact CG1-CG 3.79Å; I307-Y337 HydrophobicContact CG2-CD2 4.27Å; I307-Y337 HydrophobicContact CG2-CG 4.38Å; I324-Y337 WeakPolarHBondContact CA-O 3.44Å; L325-Y337 PolarHBondContact N-O 3.13Å; L325-Y337 PolarHBondContact O-N 3.1Å; Y337-Q339 HydrophobicContact CE1-CB 3.99Å; Y337-Q339 HydrophobicContact CE1-CG 4.42Å
338D93.7Very high93.6Very high0 Ų048.8 Ų48.80%027%0.265CS..EExtended strand (participates in β ladder)trans-107111.8174.6-177.2-29.4000109.4I324 L336 R340 R341 A342 V343I324-D338 HydrophobicContact CG1-CB 4.4Å; L336-D338 HydrophobicContact CD2-CB 4.46Å; D338-R340 VanDerWaalsContact C-N 3.35Å; D338-R340 PolarHBondContact O-N 3.23Å; D338-R340 WeakPolarHBondContact OD1-CA 3.29Å; D338-R340 WeakPolarHBondContact OD1-CB 3.45Å; D338-R340 PolarHBondContact OD1-N 3.24Å; D338-R341 HydrophobicContact CB-CB 4.4Å; D338-R341 PolarHBondContact OD1-N 3.33Å; D338-R341 VanDerWaalsContact OD1-N 3.14Å; D338-R341 IonicContact OD2-CZ 3.59Å; D338-R341 IonicContact OD2-NE 2.8Å; D338-R341 PolarHBondContact OD2-NE 3.26Å; D338-R341 IonicContact OD2-NH2 2.92Å; D338-R341 PolarHBondContact OD2-NH2 2.9Å; D338-A342 VanDerWaalsContact O-CA 3.29Å; D338-A342 WeakPolarHBondContact O-CA 3.31Å; D338-A342 PolarHBondContact O-N 3.48Å; D338-V343 HydrophobicContact CB-CG2 4.23Å; D338-V343 PolarHBondContact N-O 2.92Å; D338-V343 PolarHBondContact O-N 3.29Å
339Q91.1Very high93.4Very high90 Ų9049.5 Ų49.542%0.42127%0.269SS..THydrogen-bonded Turntrans-69.1-31-178.1-170.7179.2-2.600112.7T323 Y337 R341 A342T323-Q339 WeakPolarHBondContact O-CB 3.19Å; T323-Q339 PolarHBondContact O-N 3.42Å; Y337-Q339 HydrophobicContact CE1-CB 3.99Å; Y337-Q339 HydrophobicContact CE1-CG 4.42Å; Q339-R341 VanDerWaalsContact C-N 3.35Å; Q339-A342 PolarHBondContact O-N 3.47Å
340R87.9Confident93.1Very high64 Ų6453.6 Ų53.624%0.24230%0.296CS..THydrogen-bonded Turntrans-69.2-38.1-179.1-64.3166.264-145.80.7110.9T323 D338 A478 M479 D480T323-R340 HydrophobicContact CG2-CG 4.08Å; T323-R340 WeakPolarHBondContact OG1-CD 3.11Å; D338-R340 VanDerWaalsContact C-N 3.35Å; D338-R340 PolarHBondContact O-N 3.23Å; D338-R340 WeakPolarHBondContact OD1-CA 3.29Å; D338-R340 WeakPolarHBondContact OD1-CB 3.45Å; D338-R340 PolarHBondContact OD1-N 3.24Å; R340-A478 PolarHBondContact NH1-O 3.39Å; R340-M479 PolarHBondContact NH1-O 2.99Å; R340-M479 VanDerWaalsContact NH1-O 3.09Å; R340-D480 IonicContact CZ-OD1 3.26Å; R340-D480 IonicContact NE-OD1 3.3Å; R340-D480 IonicContact NH2-OD1 2.95Å; R340-D480 PolarHBondContact NH2-OD1 3.42Å; R340-D480 VanDerWaalsContact NH2-OD1 3.09Å
341R85.4Confident93Very high65 Ų6547 Ų4725%0.24527%0.274CS..THydrogen-bonded Turntrans-92.2-14.3178.5-71-175-70.1179.6-3.3113.2D338 Q339 V343 E477 A523D338-R341 HydrophobicContact CB-CB 4.4Å; D338-R341 PolarHBondContact OD1-N 3.33Å; D338-R341 VanDerWaalsContact OD1-N 3.14Å; D338-R341 IonicContact OD2-CZ 3.59Å; D338-R341 IonicContact OD2-NE 2.8Å; D338-R341 PolarHBondContact OD2-NE 3.26Å; D338-R341 IonicContact OD2-NH2 2.92Å; D338-R341 PolarHBondContact OD2-NH2 2.9Å; Q339-R341 VanDerWaalsContact C-N 3.35Å; R341-V343 HydrophobicContact CB-CB 4.45Å; R341-V343 HydrophobicContact CB-CG1 4.23Å; R341-V343 HydrophobicContact CB-CG2 3.62Å; R341-V343 PolarHBondContact O-N 3.43Å; R341-E477 IonicContact NH1-OE2 3.25Å; R341-A523 HydrophobicContact CB-CB 4.32Å; R341-A523 HydrophobicContact CG-CB 3.58Å
342A88.5Confident92.9Very high75 Ų7545.7 Ų45.762%0.6227%0.269SS*.THydrogen-bonded Turntrans51.939-170.500000112.7D338 Q339D338-A342 VanDerWaalsContact O-CA 3.29Å; D338-A342 WeakPolarHBondContact O-CA 3.31Å; D338-A342 PolarHBondContact O-N 3.48Å; Q339-A342 PolarHBondContact O-N 3.47Å
343V88.2Confident92.8Very high63 Ų6344.4 Ų44.438%0.38226%0.26SS..EExtended strand (participates in β ladder)trans-118.8147.7179.9-620000111D338 R341D338-V343 HydrophobicContact CB-CG2 4.23Å; D338-V343 PolarHBondContact N-O 2.92Å; D338-V343 PolarHBondContact O-N 3.29Å; R341-V343 HydrophobicContact CB-CB 4.45Å; R341-V343 HydrophobicContact CB-CG1 4.23Å; R341-V343 HydrophobicContact CB-CG2 3.62Å; R341-V343 PolarHBondContact O-N 3.43Å
344S91.8Very high92.6Very high71 Ų7147 Ų4750%0.49728%0.278SS..EExtended strand (participates in β ladder)trans-113.4135168.754.80000110.6L336L336-S344 CarbonylContact O-C 3.52Å; L336-S344 VanDerWaalsContact O-CA 3.3Å; L336-S344 WeakPolarHBondContact O-CA 2.85Å
345V94.1Very high92.4Very high58 Ų5850.8 Ų50.835%0.35229%0.293SS..EExtended strand (participates in β ladder)trans-112.9131.7174.7-175.20000108V335 L336 L381V335-V345 WeakPolarHBondContact CA-O 3.24Å; L336-V345 PolarHBondContact N-O 2.86Å; L336-V345 PolarHBondContact O-N 3.28Å; V345-L381 HydrophobicContact CB-CD2 4.33Å; V345-L381 HydrophobicContact CG1-CB 4.33Å; V345-L381 HydrophobicContact CG1-CD2 4.13Å; V345-L381 WeakPolarHBondContact O-CD2 3.21Å
346L95.7Very high92.3Very high103 Ų10351.5 Ų51.554%0.53930%0.296SS..EExtended strand (participates in β ladder)trans-107133.3177.8-17478.8000109.6P310 L334 V335P310-L346 HydrophobicContact CG-CD1 4.12Å; L334-L346 CarbonylContact O-C 3.46Å; L334-L346 VanDerWaalsContact O-CA 3.28Å; L334-L346 WeakPolarHBondContact O-CA 3.23Å; L334-L346 WeakPolarHBondContact O-CD1 3.3Å; V335-L346 HydrophobicContact CG2-CD1 3.53Å
347A94.8Very high92.2Very high11 Ų1152 Ų529%0.09130%0.301CS..EExtended strand (participates in β ladder)trans-130.2134.3171.700000111.3S333 L334 L381S333-A347 CarbonylContact C-O 3.42Å; S333-A347 WeakPolarHBondContact CA-O 3.42Å; L334-A347 PolarHBondContact N-O 3.13Å; L334-A347 PolarHBondContact O-N 2.76Å; A347-L381 HydrophobicContact CB-CD2 3.52Å; A347-L381 HydrophobicContact CB-CG 3.66Å
348P94.3Very high92Very high114 Ų11451.3 Ų51.374%0.7430%0.298SS*.EExtended strand (participates in β ladder)trans-73.5150173.631.7-34.4000111.1
349C91.8Very high91.9Very high14 Ų1451.4 Ų51.410%0.09530%0.298CS..  trans-123.9148.3172.2-70.20000110.4S332 L334 V351 M375S332-C349 WeakPolarHBondContact CB-O 3.48Å; S332-C349 WeakPolarHBondContact O-CA 3.5Å; S332-C349 WeakPolarHBondContact O-CB 3.44Å; S332-C349 PolarHBondContact O-N 3.47Å; S332-C349 VanDerWaalsContact O-O 3.08Å; L334-C349 WeakPolarHBondContact CD1-SG 3.49Å; L334-C349 VanDerWaalsContact CG-SG 3.52Å; C349-V351 WeakPolarHBondContact CB-O 3.27Å; C349-V351 PolarHBondContact O-N 3.12Å; C349-M375 HydrophobicContact CB-SD 4.28Å
350P90.9Very high91.8Very high86 Ų8649.6 Ų49.656%0.55829%0.294SS*.SBendtrans-64.8-27.5173.925.6-34.4000113.2M375P350-M375 WeakPolarHBondContact CD-SD 3.45Å; P350-M375 HydrophobicContact CG-SD 3.64Å
351V91.6Very high91.7Very high21 Ų2148.5 Ų48.513%0.12730%0.299CS..SBendtrans-137.6156.1-177-68.20000112.1C349 P353 E373 M375C349-V351 WeakPolarHBondContact CB-O 3.27Å; C349-V351 PolarHBondContact O-N 3.12Å; V351-P353 WeakPolarHBondContact O-CD 3.49Å; V351-E373 VanDerWaalsContact CG1-OE2 3.23Å; V351-E373 WeakPolarHBondContact CG1-OE2 3.5Å; V351-E373 HydrophobicContact CG2-CB 4.01Å; V351-M375 HydrophobicContact CG2-CE 3.68Å; V351-M375 HydrophobicContact CG2-SD 4.49Å
352P92.6Very high91.9Very high50 Ų5045.4 Ų45.433%0.32529%0.288SS..  trans-61.9123.8175.5-23.432.7000112.4L314 S332 S354 G369L314-P352 HydrophobicContact CD1-CB 3.98Å; S332-P352 VanDerWaalsContact OG-CD 3.3Å; S332-P352 WeakPolarHBondContact OG-CD 3.09Å; S332-P352 WeakPolarHBondContact OG-CG 3.33Å; P352-S354 PolarHBondContact O-N 3.45Å; P352-S354 PolarHBondContact O-OG 3.43Å; P352-G369 WeakPolarHBondContact O-CA 3.48Å
353P92.8Very high91.9Very high0 Ų041.9 Ų41.90%026%0.258CS..EExtended strand (participates in β ladder)trans-71.7107.7-178.928.3-36.1000112S315 L334 V351 M367S315-P353 PolarHBondContact OG-O 2.9Å; L334-P353 HydrophobicContact CD2-CB 4.05Å; L334-P353 HydrophobicContact CD2-CG 3.96Å; V351-P353 WeakPolarHBondContact O-CD 3.49Å; P353-M367 HydrophobicContact CB-CE 3.11Å; P353-M367 HydrophobicContact CG-CE 4.2Å
354S91.6Very high92.2Very high64 Ų6438.9 Ų38.945%0.44824%0.24SC..EExtended strand (participates in β ladder)trans-94.3-39-176.5-58.60000112.4P352 V368P352-S354 PolarHBondContact O-N 3.45Å; P352-S354 PolarHBondContact O-OG 3.43Å; S354-V368 PolarHBondContact N-O 3.5Å
355Y93.1Very high92.3Very high78 Ų7835.6 Ų35.631%0.30622%0.217SC..EExtended strand (participates in β ladder)trans-126.7145177.1-61.4-82.8000110.8M367 V368 L411 A412Y355-M367 WeakPolarHBondContact O-CA 3.13Å; Y355-V368 PolarHBondContact N-O 2.91Å; Y355-V368 PolarHBondContact O-N 2.86Å; Y355-L411 HydrophobicContact CD2-CB 4.31Å; Y355-L411 HydrophobicContact CD2-CD2 3.7Å; Y355-L411 HydrophobicContact CD2-CG 4.21Å; Y355-L411 HydrophobicContact CE2-CB 4.06Å; Y355-L411 HydrophobicContact CE2-CD2 4.25Å; Y355-L411 HydrophobicContact CE2-CG 4.26Å; Y355-L411 WeakPolarHBondContact CE2-O 3.44Å; Y355-L411 HydrophobicContact CG-CD2 4.08Å; Y355-L411 VanDerWaalsContact CZ-O 3.23Å; Y355-L411 PolarHBondContact OH-O 2.87Å; Y355-A412 WeakPolarHBondContact OH-CA 3.4Å
356M95.2Very high92.4Very high22 Ų2232.8 Ų32.811%0.10820%0.2CC..EExtended strand (participates in β ladder)trans-143.7139.8-177.8-59.5-156.3-91.400110.7S315 C316 L326 G328 L334 I366 M367S315-M356 WeakPolarHBondContact O-CE 3.19Å; S315-M356 VanDerWaalsContact OG-CE 3.24Å; S315-M356 WeakPolarHBondContact OG-CE 3.29Å; C316-M356 VanDerWaalsContact N-CE 3.28Å; L326-M356 HydrophobicContact CD2-SD 3.79Å; L326-M356 HydrophobicContact CG-SD 3.79Å; G328-M356 VanDerWaalsContact N-CE 3.25Å; L334-M356 HydrophobicContact CD2-SD 4.2Å; M356-I366 CarbonylContact C-O 3.56Å; M356-I366 VanDerWaalsContact CA-O 3.31Å; M356-I366 WeakPolarHBondContact CA-O 3.43Å; M356-M367 HydrophobicContact CB-CE 4.4Å; M356-M367 HydrophobicContact CB-SD 3.88Å; M356-M367 HydrophobicContact CG-CE 3.23Å; M356-M367 HydrophobicContact CG-SD 3.29Å; M356-M367 WeakPolarHBondContact CG-SD 3.49Å; M356-M367 HydrophobicContact SD-CE 3.19Å; M356-M367 WeakPolarHBondContact SD-CE 3.24Å; M356-M367 HydrophobicContact SD-SD 3.22Å
357A94.2Very high92.3Very high12 Ų1227.9 Ų27.910%0.09918%0.175CC..EExtended strand (participates in β ladder)trans-150.2124.1171.800000111.8I366 L414 W416A357-I366 PolarHBondContact N-O 2.82Å; A357-I366 PolarHBondContact O-N 3.29Å; A357-L414 HydrophobicContact CB-CD2 3.59Å; A357-L414 HydrophobicContact CB-CG 3.96Å; A357-W416 PolarHBondContact O-NE1 2.89Å; A357-W416 VanDerWaalsContact O-NE1 3.13Å
358W93.6Very high92.3Very high16 Ų1627.4 Ų27.46%0.06117%0.171CC..EExtended strand (participates in β ladder)trans-69.8135.6166.4-75.199.2000111.1S317 H319 I324 L326 L336 G362 A365 V379 W416S317-W358 PolarHBondContact O-NE1 3.33Å; H319-W358 HydrophobicContact CB-CD2 4.29Å; H319-W358 HydrophobicContact CB-CG 4.49Å; H319-W358 AromaticContact CD2-CD2 3.88Å; H319-W358 AromaticContact CD2-CE3 3.59Å; H319-W358 AromaticContact CD2-CZ3 3.75Å; I324-W358 HydrophobicContact CG2-CZ2 4.4Å; L326-W358 HydrophobicContact CB-CZ2 4.07Å; L326-W358 HydrophobicContact CD2-CZ2 4.2Å; L336-W358 HydrophobicContact CD1-CH2 4.06Å; L336-W358 HydrophobicContact CD1-CZ2 4.14Å; W358-G362 WeakPolarHBondContact CZ3-O 3.35Å; W358-A365 HydrophobicContact CD2-CB 3.84Å; W358-A365 HydrophobicContact CE3-CB 3.75Å; W358-A365 HydrophobicContact CH2-CB 4.03Å; W358-A365 HydrophobicContact CZ2-CB 4.12Å; W358-A365 HydrophobicContact CZ3-CB 3.84Å; W358-V379 HydrophobicContact CH2-CG2 4.39Å; W358-V379 HydrophobicContact CZ3-CB 4.36Å; W358-V379 HydrophobicContact CZ3-CG2 4.31Å; W358-W416 PolarHBondContact O-NE1 2.97Å
359H91.4Very high92.2Very high3 Ų322.1 Ų22.11%0.01414%0.137CC..  trans-59.4142.5167.3-172.2-108000109.3A361 G362 V364 W416 D428 L454H359-A361 VanDerWaalsContact ND1-CB 3.34Å; H359-A361 WeakPolarHBondContact ND1-CB 3.47Å; H359-A361 PolarHBondContact ND1-N 3.32Å; H359-A361 PolarHBondContact O-N 3.14Å; H359-A361 VanDerWaalsContact O-N 3.13Å; H359-G362 WeakPolarHBondContact O-CA 3.44Å; H359-G362 PolarHBondContact O-N 2.93Å; H359-V364 HydrophobicContact CB-CG2 3.59Å; H359-V364 WeakPolarHBondContact CB-O 3.27Å; H359-V364 PolarHBondContact N-O 3.22Å; H359-W416 HydrophobicContact CB-CZ2 4.01Å; H359-W416 AromaticContact CD2-CD2 3.71Å; H359-W416 AromaticContact CD2-CE2 3.94Å; H359-W416 AromaticContact CD2-CE3 3.52Å; H359-W416 AromaticContact CD2-CH2 3.73Å; H359-W416 AromaticContact CD2-CZ2 3.91Å; H359-W416 AromaticContact CD2-CZ3 3.54Å; H359-D428 IonicContact CE1-OD1 2.77Å; H359-D428 PolarHBondContact CE1-OD1 2.77Å; H359-D428 IonicContact NE2-OD1 3.17Å; H359-D428 PolarHBondContact NE2-OD1 2.88Å; H359-L454 PolarHBondContact ND1-O 3.48Å
360P87.4Confident91.6Very high51 Ų5123 Ų2333%0.33115%0.148SC..THydrogen-bonded Turntrans-56.7-30.1-179.7-27.835.9000114.1G362 W416 A418P360-G362 PolarHBondContact O-N 3.02Å; P360-W416 HydrophobicContact CG-CB 3.93Å; P360-A418 HydrophobicContact CB-CB 4.13Å; P360-A418 HydrophobicContact CG-CB 3.7Å
361A85.9Confident91.3Very high41 Ų4126.4 Ų26.434%0.33916%0.156SC..THydrogen-bonded Turntrans-75.6-6.6175.100000113.8H359 A363 H456H359-A361 VanDerWaalsContact ND1-CB 3.34Å; H359-A361 WeakPolarHBondContact ND1-CB 3.47Å; H359-A361 PolarHBondContact ND1-N 3.32Å; H359-A361 PolarHBondContact O-N 3.14Å; H359-A361 VanDerWaalsContact O-N 3.13Å; A361-A363 PolarHBondContact O-N 3.42Å; A361-H456 PolarHBondContact O-CE1 3.27Å; A361-H456 PolarHBondContact O-ND1 2.99Å
362G89.8Confident91.1Very high1 Ų127 Ų271%0.0116%0.158CC..SBendtrans80.4-14.9177.700000116.2H319 W358 H359 P360 V364H319-G362 PolarHBondContact CD2-O 3.01Å; H319-G362 WeakPolarHBondContact NE2-CA 3.44Å; H319-G362 PolarHBondContact NE2-O 3.48Å; W358-G362 WeakPolarHBondContact CZ3-O 3.35Å; H359-G362 WeakPolarHBondContact O-CA 3.44Å; H359-G362 PolarHBondContact O-N 2.93Å; P360-G362 PolarHBondContact O-N 3.02Å; G362-V364 VanDerWaalsContact C-N 3.34Å; G362-V364 PolarHBondContact O-N 2.99Å
363A90Very high91.1Very high0 Ų025.2 Ų25.20%015%0.145CC..SBendtrans-68.8-28.4-17100000115.1A361 V379 L454 G455 H456A361-A363 PolarHBondContact O-N 3.42Å; A363-V379 PolarHBondContact O-N 3.41Å; A363-L454 WeakPolarHBondContact CB-O 2.97Å; A363-G455 VanDerWaalsContact CB-C 3.42Å; A363-H456 HydrophobicContact CB-CB 4.45Å; A363-H456 PolarHBondContact N-CE1 3.39Å
364V92.7Very high91.2Very high1 Ų125.3 Ų25.31%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-137.8148.5-175.8-59.40000112.3H359 G362 F377 L384 L454 L459H359-V364 HydrophobicContact CB-CG2 3.59Å; H359-V364 WeakPolarHBondContact CB-O 3.27Å; H359-V364 PolarHBondContact N-O 3.22Å; G362-V364 VanDerWaalsContact C-N 3.34Å; G362-V364 PolarHBondContact O-N 2.99Å; V364-F377 CarbonylContact C-O 3.58Å; V364-F377 VanDerWaalsContact CA-O 3.24Å; V364-F377 WeakPolarHBondContact CA-O 3.5Å; V364-F377 WeakPolarHBondContact CB-O 3.47Å; V364-L384 HydrophobicContact CG1-CD1 3.78Å; V364-L454 HydrophobicContact CG2-CB 4.37Å; V364-L454 HydrophobicContact CG2-CD1 4.2Å; V364-L454 HydrophobicContact CG2-CD2 4.47Å; V364-L459 HydrophobicContact CG1-CD2 3.68Å
365A94.9Very high91.4Very high1 Ų122.4 Ų22.41%0.00813%0.125CC..EExtended strand (participates in β ladder)trans-113.1138.1168.300000110L326 W358 F377L326-A365 HydrophobicContact CD2-CB 3.85Å; W358-A365 HydrophobicContact CD2-CB 3.84Å; W358-A365 HydrophobicContact CE3-CB 3.75Å; W358-A365 HydrophobicContact CH2-CB 4.03Å; W358-A365 HydrophobicContact CZ2-CB 4.12Å; W358-A365 HydrophobicContact CZ3-CB 3.84Å; A365-F377 PolarHBondContact N-O 3.11Å; A365-F377 PolarHBondContact O-N 2.79Å
366I95.3Very high91.4Very high0 Ų018.7 Ų18.70%011%0.111CC..EExtended strand (participates in β ladder)trans-106137170.9-62.9-68.9000109.6M356 A357 V368 V374 C376 M386 L414 W416 L430 F444M356-I366 CarbonylContact C-O 3.56Å; M356-I366 VanDerWaalsContact CA-O 3.31Å; M356-I366 WeakPolarHBondContact CA-O 3.43Å; A357-I366 PolarHBondContact N-O 2.82Å; A357-I366 PolarHBondContact O-N 3.29Å; I366-V368 HydrophobicContact CG2-CG2 4.39Å; I366-V374 HydrophobicContact CG2-CG1 3.75Å; I366-C376 HydrophobicContact CD1-CB 3.59Å; I366-M386 HydrophobicContact CD1-SD 4.35Å; I366-L414 HydrophobicContact CG2-CD2 4.34Å; I366-W416 HydrophobicContact CB-CZ2 4.3Å; I366-W416 HydrophobicContact CG1-CH2 4.04Å; I366-W416 HydrophobicContact CG1-CZ2 3.4Å; I366-W416 VanDerWaalsContact CG1-CZ2 3.4Å; I366-L430 HydrophobicContact CB-CD2 3.94Å; I366-L430 HydrophobicContact CG1-CD2 3.95Å; I366-L430 HydrophobicContact CG2-CD2 3.64Å; I366-F444 HydrophobicContact CD1-CE1 3.85Å; I366-F444 HydrophobicContact CD1-CZ 3.52Å; I366-F444 HydrophobicContact CG1-CZ 3.98Å
367M95.1Very high91.4Very high0 Ų018.1 Ų18.10%011%0.108CC..EExtended strand (participates in β ladder)trans-123.8132.7-175.7-61.2-61.3-54.500108.1L326 L334 P353 Y355 M356 V374 M375 F377L326-M367 HydrophobicContact CD2-SD 3.75Å; L334-M367 HydrophobicContact CD1-CE 4.17Å; L334-M367 HydrophobicContact CD1-CG 4.18Å; L334-M367 HydrophobicContact CD1-SD 4.39Å; L334-M367 HydrophobicContact CD2-CE 3.22Å; L334-M367 HydrophobicContact CD2-SD 4.05Å; L334-M367 HydrophobicContact CG-CE 4.27Å; P353-M367 HydrophobicContact CB-CE 3.11Å; P353-M367 HydrophobicContact CG-CE 4.2Å; Y355-M367 WeakPolarHBondContact O-CA 3.13Å; M356-M367 HydrophobicContact CB-CE 4.4Å; M356-M367 HydrophobicContact CB-SD 3.88Å; M356-M367 HydrophobicContact CG-CE 3.23Å; M356-M367 HydrophobicContact CG-SD 3.29Å; M356-M367 WeakPolarHBondContact CG-SD 3.49Å; M356-M367 HydrophobicContact SD-CE 3.19Å; M356-M367 WeakPolarHBondContact SD-CE 3.24Å; M356-M367 HydrophobicContact SD-SD 3.22Å; M367-V374 CarbonylContact O-C 3.53Å; M367-V374 WeakPolarHBondContact O-CA 3.41Å; M367-M375 HydrophobicContact CB-CB 4.21Å; M367-M375 HydrophobicContact CB-CE 4.16Å; M367-M375 PolarHBondContact N-O 3.48Å; M367-M375 PolarHBondContact O-N 2.82Å; M367-F377 HydrophobicContact CB-CD2 4.49Å; M367-F377 HydrophobicContact CB-CE2 4.3Å; M367-F377 HydrophobicContact CG-CD2 3.67Å; M367-F377 HydrophobicContact CG-CE2 3.81Å
368V94.7Very high91.4Very high1 Ų117.6 Ų17.61%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-126.1126.7171.4-1660000109.2S354 Y355 I366 E373 V374 L411 L414S354-V368 PolarHBondContact N-O 3.5Å; Y355-V368 PolarHBondContact N-O 2.91Å; Y355-V368 PolarHBondContact O-N 2.86Å; I366-V368 HydrophobicContact CG2-CG2 4.39Å; V368-E373 WeakPolarHBondContact CA-O 3.26Å; V368-V374 HydrophobicContact CG1-CG2 4.3Å; V368-V374 HydrophobicContact CG2-CG2 4.06Å; V368-L411 HydrophobicContact CB-CD2 3.87Å; V368-L411 HydrophobicContact CG1-CD2 3.83Å; V368-L411 HydrophobicContact CG2-CD2 3.97Å; V368-L414 HydrophobicContact CG2-CD1 4.49Å; V368-L414 HydrophobicContact CG2-CD2 4.31Å
369G90.8Very high91.4Very high3 Ų316.9 Ų16.93%0.03110%0.1CC..EExtended strand (participates in β ladder)trans-139-177.7178.500000111P352 E372 E373P352-G369 WeakPolarHBondContact O-CA 3.48Å; G369-E372 PolarHBondContact O-N 3.35Å; G369-E373 PolarHBondContact N-O 3.05Å; G369-E373 PolarHBondContact O-N 3.09Å
370G80.6Confident91.5Very high32 Ų3217.9 Ų17.933%0.3311%0.112SC..THydrogen-bonded Turntrans-5.4128.8-179.200000118.4E372 E373G370-E372 PolarHBondContact O-N 3.46Å; G370-E372 VanDerWaalsContact O-N 3.12Å; G370-E373 WeakPolarHBondContact O-CB 3.4Å; G370-E373 WeakPolarHBondContact O-CG 3.46Å; G370-E373 PolarHBondContact O-N 3.14Å
371Q83.5Confident91.8Very high157 Ų15715.9 Ų15.973%0.73410%0.098SC*.THydrogen-bonded Turntrans5130.6-179.1-59.8-169.7-12.600114.7E373 T402Q371-E373 VanDerWaalsContact C-N 3.34Å; Q371-E373 PolarHBondContact O-N 3.4Å; Q371-T402 WeakPolarHBondContact O-CG2 3.42Å; Q371-T402 PolarHBondContact O-OG1 2.62Å
372E88.6Confident92.2Very high34 Ų3414.9 Ų14.916%0.1599%0.09CC..THydrogen-bonded Turntrans60.541.8178.9-44.9-54.1164.200113.5G369 G370 L401 T402 G410 L411 F434G369-E372 PolarHBondContact O-N 3.35Å; G370-E372 PolarHBondContact O-N 3.46Å; G370-E372 VanDerWaalsContact O-N 3.12Å; E372-L401 HydrophobicContact CB-CB 4.01Å; E372-L401 HydrophobicContact CB-CD1 4.34Å; E372-L401 VanDerWaalsContact O-CB 3.3Å; E372-L401 WeakPolarHBondContact O-CB 3.36Å; E372-L401 WeakPolarHBondContact O-CG 3.29Å; E372-L401 PolarHBondContact O-N 2.78Å; E372-L401 VanDerWaalsContact O-N 3.16Å; E372-T402 HydrophobicContact CB-CG2 4.4Å; E372-G410 WeakPolarHBondContact OE1-CA 3.38Å; E372-L411 PolarHBondContact OE1-N 3.25Å; E372-L411 WeakPolarHBondContact OE2-CB 3.5Å; E372-F434 HydrophobicContact CG-CE1 4.19Å
373E92.5Very high92.3Very high13 Ų1318 Ų186%0.06111%0.109CC..EExtended strand (participates in β ladder)trans-81.3116.3171.7-76.6-163.2164.500110.4V351 V368 G369 G370 Q371 T398 R400V351-E373 VanDerWaalsContact CG1-OE2 3.23Å; V351-E373 WeakPolarHBondContact CG1-OE2 3.5Å; V351-E373 HydrophobicContact CG2-CB 4.01Å; V368-E373 WeakPolarHBondContact CA-O 3.26Å; G369-E373 PolarHBondContact N-O 3.05Å; G369-E373 PolarHBondContact O-N 3.09Å; G370-E373 WeakPolarHBondContact O-CB 3.4Å; G370-E373 WeakPolarHBondContact O-CG 3.46Å; G370-E373 PolarHBondContact O-N 3.14Å; Q371-E373 VanDerWaalsContact C-N 3.34Å; Q371-E373 PolarHBondContact O-N 3.4Å; E373-T398 HydrophobicContact CB-CG2 3.5Å; E373-T398 HydrophobicContact CG-CG2 3.74Å; E373-R400 HydrophobicContact CG-CG 4.09Å; E373-R400 IonicContact OE1-CZ 2.69Å; E373-R400 IonicContact OE1-NE 2.71Å; E373-R400 PolarHBondContact OE1-NE 2.97Å; E373-R400 IonicContact OE1-NH2 2.84Å; E373-R400 PolarHBondContact OE1-NH2 2.86Å; E373-R400 VanDerWaalsContact OE1-NH2 3.1Å
374V94.5Very high92.4Very high1 Ų118 Ų181%0.00611%0.109CC..EExtended strand (participates in β ladder)trans-96.1130.9179-177.40000109.6I366 M367 V368 M386 T398 L399 L401I366-V374 HydrophobicContact CG2-CG1 3.75Å; M367-V374 CarbonylContact O-C 3.53Å; M367-V374 WeakPolarHBondContact O-CA 3.41Å; V368-V374 HydrophobicContact CG1-CG2 4.3Å; V368-V374 HydrophobicContact CG2-CG2 4.06Å; V374-M386 HydrophobicContact CG1-CE 4.21Å; V374-M386 HydrophobicContact CG1-SD 4.08Å; V374-T398 CarbonylContact O-C 3.55Å; V374-T398 WeakPolarHBondContact O-CA 3.39Å; V374-L399 HydrophobicContact CB-CB 4.29Å; V374-L399 PolarHBondContact N-O 3.36Å; V374-L399 PolarHBondContact O-N 2.78Å; V374-L401 HydrophobicContact CG2-CD1 3.51Å; V374-L401 HydrophobicContact CG2-CD2 4.22Å; V374-L401 HydrophobicContact CG2-CG 3.65Å
375M94.6Very high92.4Very high4 Ų419.5 Ų19.52%0.0212%0.118CC..EExtended strand (participates in β ladder)trans-127.4147.8175.8-60.1158-78.600109.8C349 P350 V351 M367 F377 T398C349-M375 HydrophobicContact CB-SD 4.28Å; P350-M375 WeakPolarHBondContact CD-SD 3.45Å; P350-M375 HydrophobicContact CG-SD 3.64Å; V351-M375 HydrophobicContact CG2-CE 3.68Å; V351-M375 HydrophobicContact CG2-SD 4.49Å; M367-M375 HydrophobicContact CB-CB 4.21Å; M367-M375 HydrophobicContact CB-CE 4.16Å; M367-M375 PolarHBondContact N-O 3.48Å; M367-M375 PolarHBondContact O-N 2.82Å; M375-F377 HydrophobicContact CB-CD2 4.45Å; M375-F377 HydrophobicContact CB-CE2 3.71Å; M375-F377 HydrophobicContact CB-CZ 4.41Å; M375-T398 HydrophobicContact CG-CG2 4.19Å
376C94.1Very high92.1Very high0 Ų019.6 Ų19.60%012%0.118CC..EExtended strand (participates in β ladder)trans-119.8134.1177.6-174.80000110I366 L384 M386I366-C376 HydrophobicContact CD1-CB 3.59Å; C376-L384 HydrophobicContact CB-CB 4.1Å; C376-L384 PolarHBondContact O-N 3.48Å; C376-M386 HydrophobicContact CB-CG 3.79Å; C376-M386 HydrophobicContact CB-SD 3.46Å; C376-M386 WeakPolarHBondContact CB-SD 3.39Å
377F94.9Very high91.8Very high10 Ų1020.6 Ų20.64%0.04412%0.123CC..EExtended strand (participates in β ladder)trans-126.3144.5176.2-65.2-93000109.2L334 V364 A365 M367 M375 L381 A382 P383L334-F377 HydrophobicContact CD1-CD2 3.97Å; L334-F377 HydrophobicContact CD1-CE1 4.21Å; L334-F377 HydrophobicContact CD1-CE2 3.6Å; L334-F377 HydrophobicContact CD1-CG 4.43Å; L334-F377 HydrophobicContact CD1-CZ 3.74Å; V364-F377 CarbonylContact C-O 3.58Å; V364-F377 VanDerWaalsContact CA-O 3.24Å; V364-F377 WeakPolarHBondContact CA-O 3.5Å; V364-F377 WeakPolarHBondContact CB-O 3.47Å; A365-F377 PolarHBondContact N-O 3.11Å; A365-F377 PolarHBondContact O-N 2.79Å; M367-F377 HydrophobicContact CB-CD2 4.49Å; M367-F377 HydrophobicContact CB-CE2 4.3Å; M367-F377 HydrophobicContact CG-CD2 3.67Å; M367-F377 HydrophobicContact CG-CE2 3.81Å; M375-F377 HydrophobicContact CB-CD2 4.45Å; M375-F377 HydrophobicContact CB-CE2 3.71Å; M375-F377 HydrophobicContact CB-CZ 4.41Å; F377-L381 HydrophobicContact CB-CD1 4.5Å; F377-L381 HydrophobicContact CD1-CD1 4.42Å; F377-L381 HydrophobicContact CG-CD1 4.49Å; F377-A382 WeakPolarHBondContact CA-O 3.26Å; F377-P383 HydrophobicContact CD1-CB 4.17Å; F377-P383 HydrophobicContact CE1-CB 3.93Å
378D94.3Very high91.5Very high1 Ų120.8 Ų20.81%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-76.9172167.662.339.2000111.6G380 L381 A382 L384 L459 R463 I475D378-G380 PolarHBondContact O-N 3Å; D378-G380 VanDerWaalsContact O-N 3.11Å; D378-G380 WeakPolarHBondContact OD1-CA 3.26Å; D378-G380 PolarHBondContact OD1-N 2.91Å; D378-L381 WeakPolarHBondContact O-CA 3.45Å; D378-L381 PolarHBondContact O-N 2.98Å; D378-L381 PolarHBondContact OD1-N 2.91Å; D378-A382 PolarHBondContact N-O 2.81Å; D378-A382 PolarHBondContact OD1-N 3.31Å; D378-A382 WeakPolarHBondContact OD2-CB 3.5Å; D378-L384 HydrophobicContact CB-CD1 4.17Å; D378-L459 HydrophobicContact CB-CD2 3.62Å; D378-R463 IonicContact OD2-CZ 2.71Å; D378-R463 IonicContact OD2-NE 3.26Å; D378-R463 PolarHBondContact OD2-NE 2.96Å; D378-R463 IonicContact OD2-NH2 3.7Å; D378-R463 PolarHBondContact OD2-NH2 3.27Å; D378-I475 HydrophobicContact CB-CD1 4.18Å; D378-I475 HydrophobicContact CB-CG1 4.16Å
379V93.9Very high91.2Very high1 Ų121.8 Ų21.81%0.00613%0.13CC..THydrogen-bonded Turntrans-58.8-21.2178.8700000113.7I324 L336 W358 A363 L381 I475 A478I324-V379 HydrophobicContact CD1-CG2 4.19Å; L336-V379 WeakPolarHBondContact CD1-O 3.49Å; W358-V379 HydrophobicContact CH2-CG2 4.39Å; W358-V379 HydrophobicContact CZ3-CB 4.36Å; W358-V379 HydrophobicContact CZ3-CG2 4.31Å; A363-V379 PolarHBondContact O-N 3.41Å; V379-L381 VanDerWaalsContact C-N 3.28Å; V379-I475 HydrophobicContact CG1-CB 4.22Å; V379-I475 HydrophobicContact CG1-CG1 4.18Å; V379-I475 HydrophobicContact CG1-CG2 4.02Å; V379-A478 HydrophobicContact CB-CB 4.33Å; V379-A478 HydrophobicContact CG1-CB 3.7Å; V379-A478 HydrophobicContact CG2-CB 3.78Å
380G93Very high90.9Very high24 Ų2422.9 Ų22.925%0.24714%0.139CC..THydrogen-bonded Turntrans-85.66.4174.200000114.1D378 A382D378-G380 PolarHBondContact O-N 3Å; D378-G380 VanDerWaalsContact O-N 3.11Å; D378-G380 WeakPolarHBondContact OD1-CA 3.26Å; D378-G380 PolarHBondContact OD1-N 2.91Å; G380-A382 PolarHBondContact O-N 2.89Å
381L94.4Very high90.8Very high8 Ų828.1 Ų28.14%0.04216%0.155CC..SBendtrans63.120.6-173.5-155.965.8000114.1L326 L334 L336 V345 A347 F377 D378 V379L326-L381 HydrophobicContact CD1-CD1 3.63Å; L334-L381 HydrophobicContact CB-CD1 4.14Å; L334-L381 HydrophobicContact CB-CD2 4.24Å; L334-L381 HydrophobicContact CD1-CD1 4.1Å; L336-L381 HydrophobicContact CB-CB 4.29Å; L336-L381 HydrophobicContact CB-CD1 4.23Å; L336-L381 HydrophobicContact CB-CD2 3.83Å; L336-L381 HydrophobicContact CB-CG 4.34Å; L336-L381 HydrophobicContact CD1-CB 4.18Å; L336-L381 HydrophobicContact CD1-CD1 4.36Å; V345-L381 HydrophobicContact CB-CD2 4.33Å; V345-L381 HydrophobicContact CG1-CB 4.33Å; V345-L381 HydrophobicContact CG1-CD2 4.13Å; V345-L381 WeakPolarHBondContact O-CD2 3.21Å; A347-L381 HydrophobicContact CB-CD2 3.52Å; A347-L381 HydrophobicContact CB-CG 3.66Å; F377-L381 HydrophobicContact CB-CD1 4.5Å; F377-L381 HydrophobicContact CD1-CD1 4.42Å; F377-L381 HydrophobicContact CG-CD1 4.49Å; D378-L381 WeakPolarHBondContact O-CA 3.45Å; D378-L381 PolarHBondContact O-N 2.98Å; D378-L381 PolarHBondContact OD1-N 2.91Å; V379-L381 VanDerWaalsContact C-N 3.28Å
382A93.8Very high90.7Very high20 Ų2028 Ų2817%0.16516%0.155CC..  trans-86.6135.1172.400000110.6F377 D378 G380 R463 E471F377-A382 WeakPolarHBondContact CA-O 3.26Å; D378-A382 PolarHBondContact N-O 2.81Å; D378-A382 PolarHBondContact OD1-N 3.31Å; D378-A382 WeakPolarHBondContact OD2-CB 3.5Å; G380-A382 PolarHBondContact O-N 2.89Å; A382-R463 PolarHBondContact O-NH2 3.38Å; A382-E471 HydrophobicContact CB-CB 4.3Å; A382-E471 HydrophobicContact CB-CG 3.8Å
383P92.9Very high90.2Very high66 Ų6628.8 Ų28.843%0.42917%0.167SC..EExtended strand (participates in β ladder)trans-67.2140.5-177.426.9-34000111.3F377 R463F377-P383 HydrophobicContact CD1-CB 4.17Å; F377-P383 HydrophobicContact CE1-CB 3.93Å; P383-R463 PolarHBondContact O-NH1 3.36Å; P383-R463 PolarHBondContact O-NH2 3.26Å
384L91.6Very high89.8Confident0 Ų033.2 Ų33.20%020%0.195CC..EExtended strand (participates in β ladder)trans-108.3126170.5-73.9163.1000107.9A3 V364 C376 D378 L459 R463A3-L384 HydrophobicContact CB-CD2 4.16Å; V364-L384 HydrophobicContact CG1-CD1 3.78Å; C376-L384 HydrophobicContact CB-CB 4.1Å; C376-L384 PolarHBondContact O-N 3.48Å; D378-L384 HydrophobicContact CB-CD1 4.17Å; L384-L459 HydrophobicContact CD1-CD1 3.73Å; L384-L459 HydrophobicContact CD1-CD2 4.05Å; L384-L459 HydrophobicContact CD1-CG 4.45Å; L384-L459 HydrophobicContact CD2-CD1 3.74Å; L384-L459 HydrophobicContact CG-CD1 4.39Å; L384-R463 VanDerWaalsContact CD2-NH2 3.25Å
385N91.6Very high89.5Confident34 Ų3434.9 Ų34.918%0.18221%0.206CC..EExtended strand (participates in β ladder)trans-65151.4174-70.89.3000109.4A3 F4 C5 P395 A396A3-N385 PolarHBondContact O-N 3.21Å; F4-N385 CarbonylContact C-O 3.57Å; F4-N385 WeakPolarHBondContact CA-O 3.08Å; F4-N385 HydrophobicContact CB-CB 3.76Å; F4-N385 WeakPolarHBondContact CB-O 3.48Å; C5-N385 PolarHBondContact N-O 3.47Å; N385-P395 HydrophobicContact CB-CB 3.92Å; N385-P395 PolarHBondContact ND2-O 3.46Å; N385-A396 CarbonylContact C-O 3.51Å; N385-A396 WeakPolarHBondContact CA-O 3.37Å
386M89.9Confident89.3Confident3 Ų336.9 Ų36.92%0.01522%0.223CC..EExtended strand (participates in β ladder)trans-128149.5178.4-64.4-172.364.400109.6C5 I366 V374 C376 P395 A396 L399 L442 F444C5-M386 HydrophobicContact CB-CG 4.44Å; C5-M386 WeakPolarHBondContact O-CA 3.34Å; I366-M386 HydrophobicContact CD1-SD 4.35Å; V374-M386 HydrophobicContact CG1-CE 4.21Å; V374-M386 HydrophobicContact CG1-SD 4.08Å; C376-M386 HydrophobicContact CB-CG 3.79Å; C376-M386 HydrophobicContact CB-SD 3.46Å; C376-M386 WeakPolarHBondContact CB-SD 3.39Å; M386-P395 WeakPolarHBondContact O-CA 3.43Å; M386-A396 PolarHBondContact N-O 2.84Å; M386-A396 PolarHBondContact O-N 2.67Å; M386-L399 HydrophobicContact CB-CB 4.21Å; M386-L399 HydrophobicContact CE-CD2 4.25Å; M386-L442 HydrophobicContact CE-CD2 4.01Å; M386-F444 HydrophobicContact CE-CD1 4.45Å; M386-F444 HydrophobicContact CE-CE1 3.41Å; M386-F444 VanDerWaalsContact CE-CE1 3.41Å; M386-F444 HydrophobicContact CE-CZ 3.74Å; M386-F444 HydrophobicContact SD-CE1 4.49Å
387D88.7Confident89.1Confident21 Ų2139.2 Ų39.211%0.11224%0.242CC..EExtended strand (participates in β ladder)trans-149.1155.2165.1-154-1.9000110.9C5 L6 A7 A393 T394 P395C5-D387 PolarHBondContact O-N 2.68Å; L6-D387 CarbonylContact C-O 3.58Å; L6-D387 WeakPolarHBondContact CA-O 3.44Å; L6-D387 HydrophobicContact CD2-CB 4.1Å; A7-D387 PolarHBondContact N-O 3.5Å; D387-A393 VanDerWaalsContact OD2-C 3.29Å; D387-A393 WeakPolarHBondContact OD2-CA 3.49Å; D387-A393 WeakPolarHBondContact OD2-CB 3.4Å; D387-T394 PolarHBondContact OD2-N 3.39Å; D387-P395 HydrophobicContact CB-CB 4.22Å
388L89.3Confident89Confident3 Ų340.2 Ų40.22%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-80.5152.7163.8-64.7-178000109.4A7 L9 A390 L399 H404 L442A7-L388 HydrophobicContact CB-CD2 4.1Å; A7-L388 CarbonylContact O-C 3.5Å; A7-L388 VanDerWaalsContact O-CA 3.31Å; A7-L388 WeakPolarHBondContact O-CA 3Å; L9-L388 HydrophobicContact CB-CD1 4.02Å; L9-L388 HydrophobicContact CB-CD2 4Å; L9-L388 HydrophobicContact CD2-CD1 4.34Å; L388-A390 PolarHBondContact O-N 2.89Å; L388-L399 HydrophobicContact CD1-CD1 4.35Å; L388-L399 HydrophobicContact CD2-CD2 3.97Å; L388-L399 HydrophobicContact CG-CD1 3.89Å; L388-L399 HydrophobicContact CG-CD2 4.22Å; L388-H404 HydrophobicContact CD1-CB 4.49Å; L388-L442 HydrophobicContact CD2-CD1 3.84Å
389V87.3Confident88.8Confident22 Ų2240.6 Ų40.613%0.13325%0.251CS..  trans-58.2117.3175.7176.40000109.5A7 E8 I25 G26A7-V389 PolarHBondContact O-N 2.94Å; E8-V389 HydrophobicContact CG-CG2 3.97Å; I25-V389 CarbonylContact C-O 3.48Å; I25-V389 VanDerWaalsContact C-O 3.26Å; I25-V389 WeakPolarHBondContact CA-O 3.28Å; I25-V389 HydrophobicContact CB-CG1 4.48Å; I25-V389 WeakPolarHBondContact CB-O 3.48Å; I25-V389 HydrophobicContact CG2-CG1 4.22Å; I25-V389 PolarHBondContact N-O 3.37Å; G26-V389 WeakPolarHBondContact CA-O 3.44Å; G26-V389 PolarHBondContact N-O 3.32Å
390A84.3Confident88.7Confident26 Ų2646.3 Ų46.322%0.21527%0.272CS..BIsolated β-bridgetrans-134.9170.6-179.400000110.9T23 L388T23-A390 WeakPolarHBondContact O-CB 3.47Å; L388-A390 PolarHBondContact O-N 2.89Å
391E79.6Confident88.6Confident142 Ų14245.1 Ų45.166%0.66426%0.261SS*.SBendtrans-63.7-45.3173-68.3-169168.200111.2T23 I25T23-E391 PolarHBondContact O-N 3.01Å; I25-E391 HydrophobicContact CD1-CB 4.33Å; I25-E391 HydrophobicContact CD1-CG 3.32Å; I25-E391 HydrophobicContact CG1-CG 4.17Å
392E81.6Confident88.2Confident155 Ų15547.2 Ų47.272%0.72427%0.274SS*.SBendtrans-118.9102.3173.1-66.3-173.9172.600108.5
393A76.9Confident87.9Confident50 Ų5051.3 Ų51.341%0.41329%0.289SS..  trans-77124.2178.700000110.7L6 D387 P395L6-A393 HydrophobicContact CD2-CB 4.42Å; D387-A393 VanDerWaalsContact OD2-C 3.29Å; D387-A393 WeakPolarHBondContact OD2-CA 3.49Å; D387-A393 WeakPolarHBondContact OD2-CB 3.4Å; A393-P395 VanDerWaalsContact C-CD 3.49Å; A393-P395 WeakPolarHBondContact O-CD 3.04Å
394T85.3Confident87.4Confident106 Ų10649.5 Ų49.565%0.6528%0.275SS*.  trans-118.375.1175.556.80000109.7D387 A396D387-T394 PolarHBondContact OD2-N 3.39Å; T394-A396 PolarHBondContact O-N 2.96Å
395P86.9Confident87Confident37 Ų3749.7 Ų49.724%0.2428%0.276CS..  trans-65.1127.2-172.326.8-35.5000112.1F4 N385 M386 D387 A393F4-P395 HydrophobicContact CB-CB 3.53Å; F4-P395 HydrophobicContact CB-CG 4.08Å; F4-P395 HydrophobicContact CD1-CB 4.41Å; F4-P395 HydrophobicContact CD1-CG 4.07Å; F4-P395 HydrophobicContact CD2-CB 3.75Å; F4-P395 HydrophobicContact CD2-CG 4.03Å; F4-P395 HydrophobicContact CE2-CG 4.47Å; F4-P395 HydrophobicContact CG-CB 3.66Å; F4-P395 HydrophobicContact CG-CG 3.81Å; N385-P395 HydrophobicContact CB-CB 3.92Å; N385-P395 PolarHBondContact ND2-O 3.46Å; M386-P395 WeakPolarHBondContact O-CA 3.43Å; D387-P395 HydrophobicContact CB-CB 4.22Å; A393-P395 VanDerWaalsContact C-CD 3.49Å; A393-P395 WeakPolarHBondContact O-CD 3.04Å
396A90.1Very high86.5Confident45 Ų4553 Ų5337%0.37229%0.294SS..BIsolated β-bridgetrans-121.6158.7-176.500000111.4N385 M386 T394 T398N385-A396 CarbonylContact C-O 3.51Å; N385-A396 WeakPolarHBondContact CA-O 3.37Å; M386-A396 PolarHBondContact N-O 2.84Å; M386-A396 PolarHBondContact O-N 2.67Å; T394-A396 PolarHBondContact O-N 2.96Å; A396-T398 PolarHBondContact O-N 2.89Å; A396-T398 VanDerWaalsContact O-N 3.13Å
397A89.8Confident85.7Confident49 Ų4954.3 Ų54.341%0.40530%0.303SS..SBendtrans-62.6-20.2178.800000113.7
398T92.6Very high84.9Confident32 Ų3259.2 Ų59.220%0.19634%0.339CS..EExtended strand (participates in β ladder)trans-132.9127.7-177.2-550000110.3E373 V374 M375 A396E373-T398 HydrophobicContact CB-CG2 3.5Å; E373-T398 HydrophobicContact CG-CG2 3.74Å; V374-T398 CarbonylContact O-C 3.55Å; V374-T398 WeakPolarHBondContact O-CA 3.39Å; M375-T398 HydrophobicContact CG-CG2 4.19Å; A396-T398 PolarHBondContact O-N 2.89Å; A396-T398 VanDerWaalsContact O-N 3.13Å
399L91.9Very high84.4Confident8 Ų860 Ų604%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-94.9117.3170.1174.465.8000109.5V374 M386 L388 L401 L442V374-L399 HydrophobicContact CB-CB 4.29Å; V374-L399 PolarHBondContact N-O 3.36Å; V374-L399 PolarHBondContact O-N 2.78Å; M386-L399 HydrophobicContact CB-CB 4.21Å; M386-L399 HydrophobicContact CE-CD2 4.25Å; L388-L399 HydrophobicContact CD1-CD1 4.35Å; L388-L399 HydrophobicContact CD2-CD2 3.97Å; L388-L399 HydrophobicContact CG-CD1 3.89Å; L388-L399 HydrophobicContact CG-CD2 4.22Å; L399-L401 HydrophobicContact CD2-CD2 4.29Å; L399-L401 PolarHBondContact O-N 3.39Å; L399-L442 HydrophobicContact CD2-CD1 4.28Å; L399-L442 HydrophobicContact CD2-CD2 4.46Å
400R91.6Very high84.4Confident121 Ų12160.5 Ų60.546%0.45736%0.357SS..EExtended strand (participates in β ladder)trans-89.799.9-179.4-66.1-173163.8162.30.5110.8E373 T402 Q403 H404E373-R400 HydrophobicContact CG-CG 4.09Å; E373-R400 IonicContact OE1-CZ 2.69Å; E373-R400 IonicContact OE1-NE 2.71Å; E373-R400 PolarHBondContact OE1-NE 2.97Å; E373-R400 IonicContact OE1-NH2 2.84Å; E373-R400 PolarHBondContact OE1-NH2 2.86Å; E373-R400 VanDerWaalsContact OE1-NH2 3.1Å; R400-T402 PolarHBondContact O-N 2.75Å; R400-Q403 HydrophobicContact CB-CB 4.47Å; R400-Q403 HydrophobicContact CB-CG 3.82Å; R400-Q403 WeakPolarHBondContact O-CB 3.37Å; R400-Q403 PolarHBondContact O-N 2.85Å; R400-Q403 VanDerWaalsContact O-N 3.15Å; R400-H404 PolarHBondContact O-CD2 2.93Å
401L89.6Confident84.7Confident0 Ų059.5 Ų59.50%035%0.348CS..G310 helixtrans-60.8-35.8-178.9-70.3-178000112.4L9 E372 V374 L399 Q403 H404 L405 L432 F434L9-L401 HydrophobicContact CD2-CD2 4.26Å; E372-L401 HydrophobicContact CB-CB 4.01Å; E372-L401 HydrophobicContact CB-CD1 4.34Å; E372-L401 VanDerWaalsContact O-CB 3.3Å; E372-L401 WeakPolarHBondContact O-CB 3.36Å; E372-L401 WeakPolarHBondContact O-CG 3.29Å; E372-L401 PolarHBondContact O-N 2.78Å; E372-L401 VanDerWaalsContact O-N 3.16Å; V374-L401 HydrophobicContact CG2-CD1 3.51Å; V374-L401 HydrophobicContact CG2-CD2 4.22Å; V374-L401 HydrophobicContact CG2-CG 3.65Å; L399-L401 HydrophobicContact CD2-CD2 4.29Å; L399-L401 PolarHBondContact O-N 3.39Å; L401-Q403 PolarHBondContact O-N 3.2Å; L401-Q403 VanDerWaalsContact O-N 3.07Å; L401-H404 PolarHBondContact O-N 3.23Å; L401-L405 HydrophobicContact CB-CD2 3.68Å; L401-L405 HydrophobicContact CB-CG 4.26Å; L401-L405 HydrophobicContact CD2-CD2 4.18Å; L401-L405 HydrophobicContact CG-CD2 4.35Å; L401-L405 WeakPolarHBondContact O-CD2 3.33Å; L401-L405 VanDerWaalsContact O-CG 3.24Å; L401-L405 WeakPolarHBondContact O-CG 3.29Å; L401-L405 PolarHBondContact O-N 3.31Å; L401-L432 HydrophobicContact CD1-CD1 3.82Å; L401-F434 HydrophobicContact CD1-CZ 4.14Å
402T87Confident85.2Confident52 Ų5254.1 Ų54.132%0.31933%0.328SS..G310 helixtrans-59.2-18.8178.345.90000114.9Q19 Q371 E372 R400 H404 L405Q19-T402 PolarHBondContact OE1-O 3.43Å; Q371-T402 WeakPolarHBondContact O-CG2 3.42Å; Q371-T402 PolarHBondContact O-OG1 2.62Å; E372-T402 HydrophobicContact CB-CG2 4.4Å; R400-T402 PolarHBondContact O-N 2.75Å; T402-H404 VanDerWaalsContact C-N 3.31Å; T402-L405 WeakPolarHBondContact CA-O 3.17Å
403Q86.2Confident85.6Confident106 Ų10647.6 Ų47.650%0.49530%0.302SS..G310 helixtrans-77.2-19172.8-65.7-179.6-23.800112.9Q19 R400 L401Q19-Q403 WeakPolarHBondContact CB-O 3.34Å; R400-Q403 HydrophobicContact CB-CB 4.47Å; R400-Q403 HydrophobicContact CB-CG 3.82Å; R400-Q403 WeakPolarHBondContact O-CB 3.37Å; R400-Q403 PolarHBondContact O-N 2.85Å; R400-Q403 VanDerWaalsContact O-N 3.15Å; L401-Q403 PolarHBondContact O-N 3.2Å; L401-Q403 VanDerWaalsContact O-N 3.07Å
404H83.5Confident86.4Confident28 Ų2846.5 Ų46.513%0.1329%0.289CS..THydrogen-bonded Turntrans-112.9-24.1-176.8-59-74.1000112.5L9 L18 Q19 T27 L388 R400 L401 T402L9-H404 HydrophobicContact CD2-CB 3.92Å; L18-H404 WeakPolarHBondContact CA-O 3.4Å; Q19-H404 PolarHBondContact N-O 3.3Å; T27-H404 HydrophobicContact CG2-CB 4.43Å; L388-H404 HydrophobicContact CD1-CB 4.49Å; R400-H404 PolarHBondContact O-CD2 2.93Å; L401-H404 PolarHBondContact O-N 3.23Å; T402-H404 VanDerWaalsContact C-N 3.31Å
405L83.6Confident86.7Confident4 Ų443.9 Ų43.92%0.02127%0.269CS..BIsolated β-bridgetrans-133.2138.4-18062.1112.8000113.2L9 L11 S17 L401 T402 C407 F434L9-L405 HydrophobicContact CD2-CD2 3.86Å; L11-L405 HydrophobicContact CD1-CB 4.36Å; L11-L405 HydrophobicContact CD2-CB 4.44Å; L11-L405 HydrophobicContact CD2-CD2 4.34Å; S17-L405 CarbonylContact O-C 3.52Å; S17-L405 VanDerWaalsContact O-CA 3.28Å; S17-L405 WeakPolarHBondContact O-CA 3.44Å; L401-L405 HydrophobicContact CB-CD2 3.68Å; L401-L405 HydrophobicContact CB-CG 4.26Å; L401-L405 HydrophobicContact CD2-CD2 4.18Å; L401-L405 HydrophobicContact CG-CD2 4.35Å; L401-L405 WeakPolarHBondContact O-CD2 3.33Å; L401-L405 VanDerWaalsContact O-CG 3.24Å; L401-L405 WeakPolarHBondContact O-CG 3.29Å; L401-L405 PolarHBondContact O-N 3.31Å; T402-L405 WeakPolarHBondContact CA-O 3.17Å; L405-C407 HydrophobicContact CD1-CB 4.01Å; L405-C407 WeakPolarHBondContact CD1-SG 3.45Å; L405-F434 HydrophobicContact CD1-CD1 4.47Å; L405-F434 HydrophobicContact CD1-CE1 3.85Å; L405-F434 HydrophobicContact CD1-CE2 4.23Å; L405-F434 HydrophobicContact CD1-CZ 3.7Å; L405-F434 HydrophobicContact CD2-CZ 4.23Å
406N80.8Confident86.8Confident104 Ų10442.9 Ų42.956%0.55626%0.261SS*.  trans-106.898.4171.8-169.715000109S17 Q19S17-N406 PolarHBondContact O-N 3.05Å; Q19-N406 HydrophobicContact CG-CB 4.2Å
407C73.5Confident86.5Confident30 Ų3040.8 Ų40.820%0.20324%0.244CC..  trans-115.9135.4177.6-64.90000109.8L405 G409 F434 P438L405-C407 HydrophobicContact CD1-CB 4.01Å; L405-C407 WeakPolarHBondContact CD1-SG 3.45Å; C407-G409 VanDerWaalsContact C-N 3.28Å; C407-G409 PolarHBondContact O-N 3.36Å; C407-F434 HydrophobicContact CB-CD1 4.41Å; C407-P438 WeakPolarHBondContact SG-CD 3.1Å
408S70.6Confident85.6Confident124 Ų12440.2 Ų40.287%0.86724%0.239SC*.SBendtrans-74.6-19.5178.353.40000113.3
409G79.4Confident83.8Confident19 Ų1940.2 Ų40.220%0.19625%0.245CC..SBendtrans-120.3150.6177.500000112.3C407 N435C407-G409 VanDerWaalsContact C-N 3.28Å; C407-G409 PolarHBondContact O-N 3.36Å; G409-N435 VanDerWaalsContact CA-O 3.31Å; G409-N435 WeakPolarHBondContact CA-O 3.34Å
410G87.6Confident81.7Confident32 Ų3244 Ų4433%0.3327%0.265SS..  trans-74.5170.5177.100000113.3E372 A412 N435E372-G410 WeakPolarHBondContact OE1-CA 3.38Å; G410-A412 PolarHBondContact O-N 3.44Å; G410-N435 PolarHBondContact O-N 2.96Å; G410-N435 PolarHBondContact O-ND2 3.5Å
411L91.3Very high79.3Confident5 Ų545.7 Ų45.73%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-59.5135.8175.8-169.475.8000109.9Y355 V368 E372 G413 L432 V433 F434Y355-L411 HydrophobicContact CD2-CB 4.31Å; Y355-L411 HydrophobicContact CD2-CD2 3.7Å; Y355-L411 HydrophobicContact CD2-CG 4.21Å; Y355-L411 HydrophobicContact CE2-CB 4.06Å; Y355-L411 HydrophobicContact CE2-CD2 4.25Å; Y355-L411 HydrophobicContact CE2-CG 4.26Å; Y355-L411 WeakPolarHBondContact CE2-O 3.44Å; Y355-L411 HydrophobicContact CG-CD2 4.08Å; Y355-L411 VanDerWaalsContact CZ-O 3.23Å; Y355-L411 PolarHBondContact OH-O 2.87Å; V368-L411 HydrophobicContact CB-CD2 3.87Å; V368-L411 HydrophobicContact CG1-CD2 3.83Å; V368-L411 HydrophobicContact CG2-CD2 3.97Å; E372-L411 PolarHBondContact OE1-N 3.25Å; E372-L411 WeakPolarHBondContact OE2-CB 3.5Å; L411-G413 WeakPolarHBondContact CD1-O 3.42Å; L411-L432 HydrophobicContact CD1-CB 3.92Å; L411-L432 HydrophobicContact CD1-CD2 4.1Å; L411-V433 WeakPolarHBondContact CD1-O 3.5Å; L411-F434 HydrophobicContact CB-CD1 4.49Å; L411-F434 HydrophobicContact CB-CE1 4.41Å; L411-F434 HydrophobicContact CD1-CD1 4.37Å; L411-F434 HydrophobicContact CD1-CE1 4.11Å; L411-F434 HydrophobicContact CD1-CE2 4.49Å; L411-F434 HydrophobicContact CD1-CZ 4.19Å
412A89.9Confident77.1Confident30 Ų3049.2 Ų49.225%0.24832%0.319CS..EExtended strand (participates in β ladder)trans-113-23.4-178.600000112.1Y355 G410 V433 N435Y355-A412 WeakPolarHBondContact OH-CA 3.4Å; G410-A412 PolarHBondContact O-N 3.44Å; A412-V433 HydrophobicContact CB-CG1 4.46Å; A412-V433 WeakPolarHBondContact CB-O 3.36Å; A412-V433 PolarHBondContact N-O 3.38Å; A412-N435 WeakPolarHBondContact CB-OD1 3.46Å
413G89.9Confident74.8Confident17 Ų1748.8 Ų48.818%0.17533%0.325CS..EExtended strand (participates in β ladder)trans-166.6154.4-177.200000113.5L411 V433L411-G413 WeakPolarHBondContact CD1-O 3.42Å; G413-V433 PolarHBondContact N-O 2.82Å; G413-V433 PolarHBondContact O-N 2.7Å
414L92.5Very high72.6Confident28 Ų2849.2 Ų49.215%0.14734%0.337CS..EExtended strand (participates in β ladder)trans-136.3125.3-177.3-173.667.5000108.9A357 I366 V368 L430 L432A357-L414 HydrophobicContact CB-CD2 3.59Å; A357-L414 HydrophobicContact CB-CG 3.96Å; I366-L414 HydrophobicContact CG2-CD2 4.34Å; V368-L414 HydrophobicContact CG2-CD1 4.49Å; V368-L414 HydrophobicContact CG2-CD2 4.31Å; L414-L430 HydrophobicContact CD1-CD1 3.44Å; L414-L430 VanDerWaalsContact CD1-CD1 3.44Å; L414-L430 HydrophobicContact CD1-CD2 3.65Å; L414-L430 HydrophobicContact CD1-CG 3.47Å; L414-L430 VanDerWaalsContact CD1-CG 3.47Å; L414-L430 HydrophobicContact CD2-CD1 4.47Å; L414-L430 HydrophobicContact CG-CD1 3.69Å; L414-L430 HydrophobicContact CG-CD2 4.44Å; L414-L430 HydrophobicContact CG-CG 4.28Å; L414-L432 HydrophobicContact CD1-CD2 3.35Å
415Q91.6Very high71Confident50 Ų5053.9 Ų53.923%0.23436%0.359CS..EExtended strand (participates in β ladder)trans-149.5127.2177.2-167.1-178.542.200113.3T90 R91 T431T90-Q415 PolarHBondContact O-NE2 3.3Å; T90-Q415 PolarHBondContact O-OE1 2.69Å; T90-Q415 PolarHBondContact OG1-OE1 3.09Å; R91-Q415 VanDerWaalsContact N-OE1 3.1Å; Q415-T431 PolarHBondContact N-O 2.91Å; Q415-T431 VanDerWaalsContact N-O 3.08Å; Q415-T431 PolarHBondContact O-N 3.45Å
416W90.8Very high69.7Low16 Ų1654.3 Ų54.36%0.06137%0.365CS..EExtended strand (participates in β ladder)trans-71.5142.1171.2-71.8106000112.2W92 A357 W358 H359 P360 I366 A418 L430 F444 L454W92-W416 VanDerWaalsContact CD1-O 3.3Å; A357-W416 PolarHBondContact O-NE1 2.89Å; A357-W416 VanDerWaalsContact O-NE1 3.13Å; W358-W416 PolarHBondContact O-NE1 2.97Å; H359-W416 HydrophobicContact CB-CZ2 4.01Å; H359-W416 AromaticContact CD2-CD2 3.71Å; H359-W416 AromaticContact CD2-CE2 3.94Å; H359-W416 AromaticContact CD2-CE3 3.52Å; H359-W416 AromaticContact CD2-CH2 3.73Å; H359-W416 AromaticContact CD2-CZ2 3.91Å; H359-W416 AromaticContact CD2-CZ3 3.54Å; P360-W416 HydrophobicContact CG-CB 3.93Å; I366-W416 HydrophobicContact CB-CZ2 4.3Å; I366-W416 HydrophobicContact CG1-CH2 4.04Å; I366-W416 HydrophobicContact CG1-CZ2 3.4Å; I366-W416 VanDerWaalsContact CG1-CZ2 3.4Å; W416-A418 PolarHBondContact O-N 3.27Å; W416-L430 HydrophobicContact CD2-CB 4.26Å; W416-L430 HydrophobicContact CD2-CD1 3.69Å; W416-L430 HydrophobicContact CD2-CG 4.46Å; W416-L430 HydrophobicContact CE3-CB 3.83Å; W416-L430 HydrophobicContact CE3-CD1 4.13Å; W416-L430 HydrophobicContact CG-CD1 3.87Å; W416-L430 HydrophobicContact CH2-CB 4.33Å; W416-L430 HydrophobicContact CH2-CD2 4.42Å; W416-L430 HydrophobicContact CZ2-CD2 4.27Å; W416-L430 HydrophobicContact CZ3-CB 3.86Å; W416-F444 AromaticContact CH2-CD2 3.64Å; W416-F444 HydrophobicContact CH2-CD2 3.64Å; W416-F444 AromaticContact CH2-CE2 3.41Å; W416-F444 HydrophobicContact CH2-CE2 3.41Å; W416-F444 VanDerWaalsContact CH2-CE2 3.41Å; W416-F444 HydrophobicContact CH2-CG 4.36Å; W416-F444 AromaticContact CH2-CZ 3.94Å; W416-F444 HydrophobicContact CH2-CZ 3.94Å; W416-F444 HydrophobicContact CZ2-CE2 4.4Å; W416-F444 AromaticContact CZ3-CD2 3.66Å; W416-F444 HydrophobicContact CZ3-CD2 3.66Å; W416-F444 AromaticContact CZ3-CE2 3.73Å; W416-F444 HydrophobicContact CZ3-CE2 3.73Å; W416-L454 HydrophobicContact CH2-CD1 3.78Å; W416-L454 HydrophobicContact CZ3-CD1 4.1Å
417G83.9Confident69.1Low1 Ų150.8 Ų50.81%0.0135%0.347CS..  trans-76.7101.9169.300000111.9W92 T427 T429W92-G417 VanDerWaalsContact CD1-CA 3.49Å; W92-G417 VanDerWaalsContact CD2-CA 3.5Å; W92-G417 VanDerWaalsContact CG-CA 3.44Å; G417-T427 VanDerWaalsContact CA-OG1 3.23Å; G417-T427 WeakPolarHBondContact CA-OG1 3.42Å; G417-T427 PolarHBondContact O-N 2.85Å; G417-T427 PolarHBondContact O-OG1 2.72Å; G417-T429 PolarHBondContact N-O 2.75Å
418A69.3Low69.6Low37 Ų3750.4 Ų50.431%0.30634%0.343SS..  trans-115137.217000000109.6W92 P360 W416W92-A418 WeakPolarHBondContact CB-O 3.43Å; P360-A418 HydrophobicContact CB-CB 4.13Å; P360-A418 HydrophobicContact CG-CB 3.7Å; W416-A418 PolarHBondContact O-N 3.27Å
419G55.8Low70.5Confident32 Ų3245 Ų4533%0.3331%0.305SS..  trans-75.2153.8169.600000111.4D421 G422G419-D421 PolarHBondContact O-N 3.33Å; G419-D421 VanDerWaalsContact O-N 3.15Å; G419-G422 PolarHBondContact O-N 3.33Å
420L47Very low71.1Confident88 Ų8844.1 Ų44.146%0.46130%0.295SS..THydrogen-bonded Turntrans-58.3-23.3174.2-75.9156.5000113.5R91 R93 D142 G422R91-L420 VanDerWaalsContact NH2-CD2 3.28Å; R93-L420 HydrophobicContact CB-CD1 4.48Å; R93-L420 WeakPolarHBondContact O-CD1 3.44Å; D142-L420 VanDerWaalsContact OD2-CD1 3.27Å; D142-L420 WeakPolarHBondContact OD2-CD1 3.04Å; L420-G422 PolarHBondContact O-N 2.9Å
421D41.7Very low71.3Confident157 Ų15742.7 Ų42.784%0.8428%0.28SS*.THydrogen-bonded Turntrans-77.63.1-175-59.2-34.3000113.7G419 G423G419-D421 PolarHBondContact O-N 3.33Å; G419-D421 VanDerWaalsContact O-N 3.15Å; D421-G423 PolarHBondContact O-N 3.47Å
422G43.2Very low71.5Confident73 Ų7342.5 Ų42.575%0.75328%0.279SS*.  trans57.213.8176.300000114.2G419 L420G419-G422 PolarHBondContact O-N 3.33Å; L420-G422 PolarHBondContact O-N 2.9Å
423G39.7Very low71.6Confident43 Ų4341.2 Ų41.244%0.44327%0.268SS..  trans-71.7151-178.200000110.9D421 E425D421-G423 PolarHBondContact O-N 3.47Å; G423-E425 PolarHBondContact O-N 2.92Å
424P39.8Very low71.7Confident115 Ų11540.6 Ų40.675%0.74726%0.261SS*.SBendtrans-61.3-8.517924.1-33.4000114G426P424-G426 PolarHBondContact O-N 2.67Å
425E48.9Very low71.6Confident126 Ų12642.2 Ų42.259%0.58927%0.27SS*.  trans-80.859.7173-62.2-169.2-177.100112.5K95 G423K95-E425 IonicContact NZ-OE2 2.69Å; K95-E425 PolarHBondContact NZ-OE2 3.2Å; G423-E425 PolarHBondContact O-N 2.92Å
426G56.8Low71.4Confident14 Ų1441.1 Ų41.114%0.14427%0.272CS..  trans-57.5150158.400000110P424 D428P424-G426 PolarHBondContact O-N 2.67Å; G426-D428 PolarHBondContact O-N 3.14Å; G426-D428 VanDerWaalsContact O-N 3.08Å
427T67.6Low71.2Confident29 Ų2940.9 Ų40.918%0.17827%0.274CS..  trans-73.54.8-177.248.20000115.2K95 G417 T429K95-T427 HydrophobicContact CB-CG2 3.05Å; K95-T427 HydrophobicContact CG-CG2 4.46Å; G417-T427 VanDerWaalsContact CA-OG1 3.23Å; G417-T427 WeakPolarHBondContact CA-OG1 3.42Å; G417-T427 PolarHBondContact O-N 2.85Å; G417-T427 PolarHBondContact O-OG1 2.72Å; T427-T429 WeakPolarHBondContact O-CB 3.28Å; T427-T429 PolarHBondContact O-N 2.78Å; T427-T429 PolarHBondContact O-OG1 3.11Å; T427-T429 WeakPolarHBondContact OG1-CB 3.37Å
428D84.9Confident71.4Confident22 Ų2241 Ų4112%0.11828%0.275CS..SBendtrans3932-165.8-59.8-50.7000111.5H359 G426 F444 Q453 L454H359-D428 IonicContact CE1-OD1 2.77Å; H359-D428 PolarHBondContact CE1-OD1 2.77Å; H359-D428 IonicContact NE2-OD1 3.17Å; H359-D428 PolarHBondContact NE2-OD1 2.88Å; G426-D428 PolarHBondContact O-N 3.14Å; G426-D428 VanDerWaalsContact O-N 3.08Å; D428-F444 HydrophobicContact CB-CB 4.29Å; D428-F444 WeakPolarHBondContact O-CB 3.47Å; D428-F444 PolarHBondContact O-N 3.47Å; D428-Q453 WeakPolarHBondContact OD2-CA 3.27Å; D428-L454 HydrophobicContact CB-CD1 4.18Å; D428-L454 HydrophobicContact CB-CG 4.42Å; D428-L454 WeakPolarHBondContact OD1-CB 3.49Å; D428-L454 PolarHBondContact OD1-N 2.83Å; D428-L454 VanDerWaalsContact OD1-N 3.14Å
429T88.7Confident72.4Confident11 Ų1139.4 Ų39.47%0.06726%0.261CS..EExtended strand (participates in β ladder)trans-125.4125.7-171.1-61.40000108.3W92 G417 T427 A441 L442W92-T429 HydrophobicContact CH2-CG2 4.26Å; W92-T429 HydrophobicContact CZ2-CG2 4.32Å; G417-T429 PolarHBondContact N-O 2.75Å; T427-T429 WeakPolarHBondContact O-CB 3.28Å; T427-T429 PolarHBondContact O-N 2.78Å; T427-T429 PolarHBondContact O-OG1 3.11Å; T427-T429 WeakPolarHBondContact OG1-CB 3.37Å; T429-A441 HydrophobicContact CG2-CB 3.87Å; T429-L442 WeakPolarHBondContact CA-O 3.3Å
430L92.1Very high74.1Confident0 Ų037.9 Ų37.90%025%0.245CC..EExtended strand (participates in β ladder)trans-111.2116-176.7-176.857.1000109.4I366 L414 W416 L432 A441 L442 F444I366-L430 HydrophobicContact CB-CD2 3.94Å; I366-L430 HydrophobicContact CG1-CD2 3.95Å; I366-L430 HydrophobicContact CG2-CD2 3.64Å; L414-L430 HydrophobicContact CD1-CD1 3.44Å; L414-L430 VanDerWaalsContact CD1-CD1 3.44Å; L414-L430 HydrophobicContact CD1-CD2 3.65Å; L414-L430 HydrophobicContact CD1-CG 3.47Å; L414-L430 VanDerWaalsContact CD1-CG 3.47Å; L414-L430 HydrophobicContact CD2-CD1 4.47Å; L414-L430 HydrophobicContact CG-CD1 3.69Å; L414-L430 HydrophobicContact CG-CD2 4.44Å; L414-L430 HydrophobicContact CG-CG 4.28Å; W416-L430 HydrophobicContact CD2-CB 4.26Å; W416-L430 HydrophobicContact CD2-CD1 3.69Å; W416-L430 HydrophobicContact CD2-CG 4.46Å; W416-L430 HydrophobicContact CE3-CB 3.83Å; W416-L430 HydrophobicContact CE3-CD1 4.13Å; W416-L430 HydrophobicContact CG-CD1 3.87Å; W416-L430 HydrophobicContact CH2-CB 4.33Å; W416-L430 HydrophobicContact CH2-CD2 4.42Å; W416-L430 HydrophobicContact CZ2-CD2 4.27Å; W416-L430 HydrophobicContact CZ3-CB 3.86Å; L430-L432 HydrophobicContact CG-CD2 4.5Å; L430-A441 CarbonylContact O-C 3.59Å; L430-A441 WeakPolarHBondContact O-CA 3.18Å; L430-L442 HydrophobicContact CB-CB 4.34Å; L430-L442 PolarHBondContact N-O 2.61Å; L430-L442 PolarHBondContact O-N 3.13Å; L430-F444 HydrophobicContact CB-CE2 3.99Å; L430-F444 HydrophobicContact CD2-CE2 4.08Å; L430-F444 HydrophobicContact CD2-CZ 4.4Å
431T92.9Very high76.3Confident2 Ų233.7 Ų33.71%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-76.7130.9173.8-53.40000109.8W92 Q415 V433 A440W92-T431 VanDerWaalsContact CE2-OG1 3.25Å; W92-T431 WeakPolarHBondContact CZ2-OG1 3.47Å; W92-T431 PolarHBondContact NE1-OG1 3.19Å; Q415-T431 PolarHBondContact N-O 2.91Å; Q415-T431 VanDerWaalsContact N-O 3.08Å; Q415-T431 PolarHBondContact O-N 3.45Å; T431-V433 HydrophobicContact CG2-CG2 4.17Å; T431-A440 WeakPolarHBondContact CA-O 3.44Å
432L93.9Very high78.7Confident1 Ų126.2 Ų26.21%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-112.8125.2173.4-57.4172.1000108.3L9 L401 L411 L414 L430 F434 A440 L442L9-L432 HydrophobicContact CD1-CD1 4.43Å; L401-L432 HydrophobicContact CD1-CD1 3.82Å; L411-L432 HydrophobicContact CD1-CB 3.92Å; L411-L432 HydrophobicContact CD1-CD2 4.1Å; L414-L432 HydrophobicContact CD1-CD2 3.35Å; L430-L432 HydrophobicContact CG-CD2 4.5Å; L432-F434 HydrophobicContact CB-CE2 3.88Å; L432-F434 HydrophobicContact CB-CZ 4.35Å; L432-A440 HydrophobicContact CB-CB 4.18Å; L432-A440 HydrophobicContact CD1-CB 4.46Å; L432-A440 PolarHBondContact N-O 3.41Å; L432-A440 PolarHBondContact O-N 3.33Å; L432-L442 HydrophobicContact CD1-CB 4.36Å
433V92.8Very high80.9Confident3 Ų325.4 Ų25.42%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-113.9115.6-179.9-1770000108.9C87 T90 L411 A412 G413 T431 L439C87-V433 HydrophobicContact CB-CG1 3.58Å; T90-V433 HydrophobicContact CG2-CG2 3.74Å; L411-V433 WeakPolarHBondContact CD1-O 3.5Å; A412-V433 HydrophobicContact CB-CG1 4.46Å; A412-V433 WeakPolarHBondContact CB-O 3.36Å; A412-V433 PolarHBondContact N-O 3.38Å; G413-V433 PolarHBondContact N-O 2.82Å; G413-V433 PolarHBondContact O-N 2.7Å; T431-V433 HydrophobicContact CG2-CG2 4.17Å; V433-L439 HydrophobicContact CB-CD2 4.24Å; V433-L439 HydrophobicContact CG1-CD2 3.95Å; V433-L439 HydrophobicContact CG2-CD2 3.89Å
434F91.9Very high83.2Confident4 Ų423.6 Ų23.62%0.01814%0.139CC..EExtended strand (participates in β ladder)trans-97.6141.8177.3-63.9-87.5000111.2E372 L401 L405 C407 L411 L432 G436 G437 P438 A440E372-F434 HydrophobicContact CG-CE1 4.19Å; L401-F434 HydrophobicContact CD1-CZ 4.14Å; L405-F434 HydrophobicContact CD1-CD1 4.47Å; L405-F434 HydrophobicContact CD1-CE1 3.85Å; L405-F434 HydrophobicContact CD1-CE2 4.23Å; L405-F434 HydrophobicContact CD1-CZ 3.7Å; L405-F434 HydrophobicContact CD2-CZ 4.23Å; C407-F434 HydrophobicContact CB-CD1 4.41Å; L411-F434 HydrophobicContact CB-CD1 4.49Å; L411-F434 HydrophobicContact CB-CE1 4.41Å; L411-F434 HydrophobicContact CD1-CD1 4.37Å; L411-F434 HydrophobicContact CD1-CE1 4.11Å; L411-F434 HydrophobicContact CD1-CE2 4.49Å; L411-F434 HydrophobicContact CD1-CZ 4.19Å; L432-F434 HydrophobicContact CB-CE2 3.88Å; L432-F434 HydrophobicContact CB-CZ 4.35Å; F434-G436 PolarHBondContact O-N 2.94Å; F434-G437 PolarHBondContact O-N 2.98Å; F434-P438 WeakPolarHBondContact CD2-O 3.31Å; F434-A440 HydrophobicContact CE2-CB 4.13Å
435N90.3Very high85.1Confident63 Ų6322.3 Ų22.334%0.33712%0.12SC..THydrogen-bonded Turntrans-61.7126.5170.6-75.9-47000109.8G409 G410 A412 G437G409-N435 VanDerWaalsContact CA-O 3.31Å; G409-N435 WeakPolarHBondContact CA-O 3.34Å; G410-N435 PolarHBondContact O-N 2.96Å; G410-N435 PolarHBondContact O-ND2 3.5Å; A412-N435 WeakPolarHBondContact CB-OD1 3.46Å; N435-G437 VanDerWaalsContact C-N 3.25Å; N435-G437 PolarHBondContact O-N 3.48Å
436G88.2Confident86Confident26 Ų2616.4 Ų16.427%0.2689%0.092SC..THydrogen-bonded Turntrans82.6-1.4-174.300000114.6L82 Q83 F434L82-G436 CarbonylContact O-C 3.55Å; L82-G436 WeakPolarHBondContact O-CA 3.37Å; L82-G436 PolarHBondContact O-N 3.34Å; Q83-G436 WeakPolarHBondContact CG-O 3.29Å; F434-G436 PolarHBondContact O-N 2.94Å
437G85.6Confident85.8Confident11 Ų1117.4 Ų17.411%0.11310%0.103CC..  trans78.3174.4-170.700000113.5F434 N435F434-G437 PolarHBondContact O-N 2.98Å; N435-G437 VanDerWaalsContact C-N 3.25Å; N435-G437 PolarHBondContact O-N 3.48Å
438P87.4Confident84.5Confident5 Ų521.5 Ų21.53%0.03214%0.139CC..  cis-79.5176.40.336.8-34.7000112.3S13 C407 F434S13-P438 VanDerWaalsContact CB-CB 3.47Å; C407-P438 WeakPolarHBondContact SG-CD 3.1Å; F434-P438 WeakPolarHBondContact CD2-O 3.31Å
439L90.9Very high82.3Confident2 Ų227.6 Ų27.61%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-84.7142.9159.4-64.4168.6000108.4W12 L78 L82 M100 V433W12-L439 HydrophobicContact CB-CB 4.29Å; W12-L439 WeakPolarHBondContact CB-O 3.28Å; W12-L439 HydrophobicContact CE3-CB 3.83Å; W12-L439 HydrophobicContact CE3-CD1 4.33Å; W12-L439 PolarHBondContact N-O 3.06Å; L78-L439 HydrophobicContact CD2-CD1 3.91Å; L82-L439 HydrophobicContact CD1-CD1 4.21Å; L82-L439 HydrophobicContact CD1-CD2 4.43Å; L82-L439 HydrophobicContact CD1-CG 3.83Å; M100-L439 HydrophobicContact CE-CD1 3.31Å; M100-L439 HydrophobicContact CE-CD2 4.49Å; M100-L439 HydrophobicContact SD-CD1 3.61Å; M100-L439 HydrophobicContact SD-CD2 4.47Å; V433-L439 HydrophobicContact CB-CD2 4.24Å; V433-L439 HydrophobicContact CG1-CD2 3.95Å; V433-L439 HydrophobicContact CG2-CD2 3.89Å
440A92.1Very high80.5Confident0 Ų029.3 Ų29.30%018%0.181CC..EExtended strand (participates in β ladder)trans-133.3157.5173.900000111.5L9 H10 L11 T431 L432 F434L9-A440 HydrophobicContact CD1-CB 4.13Å; H10-A440 CarbonylContact O-C 3.26Å; H10-A440 WeakPolarHBondContact O-CA 3.37Å; L11-A440 HydrophobicContact CD2-CB 3.73Å; T431-A440 WeakPolarHBondContact CA-O 3.44Å; L432-A440 HydrophobicContact CB-CB 4.18Å; L432-A440 HydrophobicContact CD1-CB 4.46Å; L432-A440 PolarHBondContact N-O 3.41Å; L432-A440 PolarHBondContact O-N 3.33Å; F434-A440 HydrophobicContact CE2-CB 4.13Å
441A92.6Very high78.6Confident0 Ų033 Ų330%022%0.22CC..EExtended strand (participates in β ladder)trans-126.9124172.400000109.1H10 W12 T429 L430H10-A441 HydrophobicContact CB-CB 4.38Å; H10-A441 PolarHBondContact N-O 2.99Å; H10-A441 PolarHBondContact O-N 2.94Å; W12-A441 HydrophobicContact CH2-CB 4.15Å; W12-A441 HydrophobicContact CZ2-CB 3.56Å; T429-A441 HydrophobicContact CG2-CB 3.87Å; L430-A441 CarbonylContact O-C 3.59Å; L430-A441 WeakPolarHBondContact O-CA 3.18Å
442L92.6Very high77Confident0 Ų033.8 Ų33.80%023%0.228CC..EExtended strand (participates in β ladder)trans-95.7106.9170.6-170.269.2000107.9A7 E8 L9 M386 L388 L399 T429 L430 L432 F444A7-L442 HydrophobicContact CB-CD1 3.67Å; A7-L442 HydrophobicContact CB-CG 3.94Å; E8-L442 WeakPolarHBondContact O-CA 3.16Å; L9-L442 HydrophobicContact CB-CD1 4.3Å; L9-L442 HydrophobicContact CD1-CD1 4.38Å; M386-L442 HydrophobicContact CE-CD2 4.01Å; L388-L442 HydrophobicContact CD2-CD1 3.84Å; L399-L442 HydrophobicContact CD2-CD1 4.28Å; L399-L442 HydrophobicContact CD2-CD2 4.46Å; T429-L442 WeakPolarHBondContact CA-O 3.3Å; L430-L442 HydrophobicContact CB-CB 4.34Å; L430-L442 PolarHBondContact N-O 2.61Å; L430-L442 PolarHBondContact O-N 3.13Å; L432-L442 HydrophobicContact CD1-CB 4.36Å; L442-F444 HydrophobicContact CB-CE2 4.36Å; L442-F444 HydrophobicContact CD2-CE1 4.46Å; L442-F444 HydrophobicContact CD2-CE2 3.73Å; L442-F444 HydrophobicContact CD2-CZ 3.6Å; L442-F444 HydrophobicContact CG-CE2 3.95Å; L442-F444 HydrophobicContact CG-CZ 4.25Å
443K90.1Very high75.9Confident56 Ų5638.1 Ų38.124%0.24325%0.249CC..EExtended strand (participates in β ladder)trans-95111.7179.5179.2175.5178-179.50109.5A7 E8 P115A7-K443 CarbonylContact C-O 3.54Å; A7-K443 WeakPolarHBondContact CA-O 3.5Å; E8-K443 PolarHBondContact N-O 3.13Å; E8-K443 PolarHBondContact O-N 3.03Å; P115-K443 HydrophobicContact CB-CD 4.02Å; P115-K443 HydrophobicContact CG-CD 4.12Å
444F87.4Confident75.4Confident5 Ų538.1 Ų38.12%0.02225%0.248CC..EExtended strand (participates in β ladder)trans-75.6148.3177.8-68.4-103.5000110.8C5 I366 M386 W416 D428 L430 L442 L454C5-F444 HydrophobicContact CB-CD1 4.22Å; I366-F444 HydrophobicContact CD1-CE1 3.85Å; I366-F444 HydrophobicContact CD1-CZ 3.52Å; I366-F444 HydrophobicContact CG1-CZ 3.98Å; M386-F444 HydrophobicContact CE-CD1 4.45Å; M386-F444 HydrophobicContact CE-CE1 3.41Å; M386-F444 VanDerWaalsContact CE-CE1 3.41Å; M386-F444 HydrophobicContact CE-CZ 3.74Å; M386-F444 HydrophobicContact SD-CE1 4.49Å; W416-F444 AromaticContact CH2-CD2 3.64Å; W416-F444 HydrophobicContact CH2-CD2 3.64Å; W416-F444 AromaticContact CH2-CE2 3.41Å; W416-F444 HydrophobicContact CH2-CE2 3.41Å; W416-F444 VanDerWaalsContact CH2-CE2 3.41Å; W416-F444 HydrophobicContact CH2-CG 4.36Å; W416-F444 AromaticContact CH2-CZ 3.94Å; W416-F444 HydrophobicContact CH2-CZ 3.94Å; W416-F444 HydrophobicContact CZ2-CE2 4.4Å; W416-F444 AromaticContact CZ3-CD2 3.66Å; W416-F444 HydrophobicContact CZ3-CD2 3.66Å; W416-F444 AromaticContact CZ3-CE2 3.73Å; W416-F444 HydrophobicContact CZ3-CE2 3.73Å; D428-F444 HydrophobicContact CB-CB 4.29Å; D428-F444 WeakPolarHBondContact O-CB 3.47Å; D428-F444 PolarHBondContact O-N 3.47Å; L430-F444 HydrophobicContact CB-CE2 3.99Å; L430-F444 HydrophobicContact CD2-CE2 4.08Å; L430-F444 HydrophobicContact CD2-CZ 4.4Å; L442-F444 HydrophobicContact CB-CE2 4.36Å; L442-F444 HydrophobicContact CD2-CE1 4.46Å; L442-F444 HydrophobicContact CD2-CE2 3.73Å; L442-F444 HydrophobicContact CD2-CZ 3.6Å; L442-F444 HydrophobicContact CG-CE2 3.95Å; L442-F444 HydrophobicContact CG-CZ 4.25Å; F444-L454 HydrophobicContact CB-CD1 3.69Å; F444-L454 HydrophobicContact CB-CD2 4.47Å; F444-L454 HydrophobicContact CB-CG 4.27Å; F444-L454 HydrophobicContact CD1-CD1 4.18Å; F444-L454 HydrophobicContact CD2-CD1 4.28Å; F444-L454 HydrophobicContact CG-CD1 3.81Å
445R79.3Confident75.1Confident89 Ų8938.4 Ų38.434%0.33625%0.253SS..EExtended strand (participates in β ladder)trans-134.580.8177.8-65.5-175.3171.1-137.9-3.2106.5L6 E8 Y59 G447L6-R445 HydrophobicContact CB-CB 4.32Å; L6-R445 WeakPolarHBondContact O-CA 3.45Å; L6-R445 PolarHBondContact O-N 2.93Å; E8-R445 IonicContact OE1-CZ 2.67Å; E8-R445 IonicContact OE1-NE 3.5Å; E8-R445 PolarHBondContact OE1-NE 3.26Å; E8-R445 IonicContact OE1-NH1 2.76Å; E8-R445 IonicContact OE1-NH2 2.7Å; E8-R445 PolarHBondContact OE1-NH2 2.78Å; E8-R445 IonicContact OE2-CZ 2.79Å; E8-R445 VanDerWaalsContact OE2-CZ 3.26Å; E8-R445 IonicContact OE2-NE 2.99Å; E8-R445 PolarHBondContact OE2-NE 2.93Å; E8-R445 VanDerWaalsContact OE2-NE 3.17Å; E8-R445 IonicContact OE2-NH2 3.76Å; E8-R445 PolarHBondContact OE2-NH2 2.82Å; Y59-R445 PolarHBondContact OH-NH2 2.95Å; Y59-R445 VanDerWaalsContact OH-NH2 3.15Å; R445-G447 PolarHBondContact O-N 2.76Å
446L67.7Low75.1Confident1 Ų136.3 Ų36.31%0.00524%0.241CC..BIsolated β-bridgetrans-78.6112.6175.2-154.385000109.5C5 T450 G452 L454 E458 L459C5-L446 HydrophobicContact CB-CD1 4.2Å; C5-L446 WeakPolarHBondContact SG-CD1 3.41Å; L446-T450 PolarHBondContact O-OG1 3.25Å; L446-G452 VanDerWaalsContact O-CA 3.24Å; L446-G452 WeakPolarHBondContact O-CA 3.35Å; L446-G452 PolarHBondContact O-N 3.43Å; L446-L454 HydrophobicContact CB-CD2 3.83Å; L446-L454 HydrophobicContact CD1-CD2 3.71Å; L446-L454 HydrophobicContact CD2-CD2 4.24Å; L446-L454 HydrophobicContact CG-CD2 4.12Å; L446-E458 HydrophobicContact CD2-CB 4.29Å; L446-L459 HydrophobicContact CD1-CD1 4.49Å; L446-L459 HydrophobicContact CD2-CD1 4.3Å
447G53.7Low75.2Confident36 Ų3635.4 Ų35.437%0.37123%0.23SC..  trans72.2128.8168.200000115.9R445 L449R445-G447 PolarHBondContact O-N 2.76Å; G447-L449 PolarHBondContact O-N 3.27Å
448A39.2Very low75.3Confident114 Ų11437 Ų3794%0.94223%0.234SC*.SBendtrans-68.7-13.4161.300000112.6
449L39.8Very low75.5Confident151 Ų15136.8 Ų36.879%0.79123%0.233SC*.SBendtrans-99.6-26-171.2-64.9171.6000114.3G447G447-L449 PolarHBondContact O-N 3.27Å
450T50.3Low75.6Confident46 Ų4636.7 Ų36.728%0.28223%0.232SC..SBendtrans-111.65.9-168.750.50000113.8L446 G452 E458L446-T450 PolarHBondContact O-OG1 3.25Å; T450-G452 VanDerWaalsContact C-N 3.31Å; T450-G452 PolarHBondContact O-N 2.93Å; T450-E458 HydrophobicContact CG2-CB 4.2Å; T450-E458 HydrophobicContact CG2-CG 4.11Å
451G52Low75.5Confident78 Ų7839.7 Ų39.780%0.80425%0.246SC*.THydrogen-bonded Turntrans76.411.817500000115.4
452G58.5Low75.4Confident19 Ų1941.2 Ų41.220%0.19625%0.254CS..BIsolated β-bridgetrans103.2-7.3162.500000117.7L446 T450L446-G452 VanDerWaalsContact O-CA 3.24Å; L446-G452 WeakPolarHBondContact O-CA 3.35Å; L446-G452 PolarHBondContact O-N 3.43Å; T450-G452 VanDerWaalsContact C-N 3.31Å; T450-G452 PolarHBondContact O-N 2.93Å
453Q72Confident75.4Confident92 Ų9241.3 Ų41.343%0.4325%0.254SS..  trans-79.1137.5-173.5-65.4-178.6-6.700113.3D428 G455D428-Q453 WeakPolarHBondContact OD2-CA 3.27Å; Q453-G455 VanDerWaalsContact C-N 3.27Å; Q453-G455 PolarHBondContact O-N 3.32Å; Q453-G455 VanDerWaalsContact O-N 3.16Å
454L81.7Confident75.6Confident3 Ų339.1 Ų39.12%0.01625%0.245CC..  trans-8561.4170.1-69171.3000111.9H359 A363 V364 W416 D428 F444 L446H359-L454 PolarHBondContact ND1-O 3.48Å; A363-L454 WeakPolarHBondContact CB-O 2.97Å; V364-L454 HydrophobicContact CG2-CB 4.37Å; V364-L454 HydrophobicContact CG2-CD1 4.2Å; V364-L454 HydrophobicContact CG2-CD2 4.47Å; W416-L454 HydrophobicContact CH2-CD1 3.78Å; W416-L454 HydrophobicContact CZ3-CD1 4.1Å; D428-L454 HydrophobicContact CB-CD1 4.18Å; D428-L454 HydrophobicContact CB-CG 4.42Å; D428-L454 WeakPolarHBondContact OD1-CB 3.49Å; D428-L454 PolarHBondContact OD1-N 2.83Å; D428-L454 VanDerWaalsContact OD1-N 3.14Å; F444-L454 HydrophobicContact CB-CD1 3.69Å; F444-L454 HydrophobicContact CB-CD2 4.47Å; F444-L454 HydrophobicContact CB-CG 4.27Å; F444-L454 HydrophobicContact CD1-CD1 4.18Å; F444-L454 HydrophobicContact CD2-CD1 4.28Å; F444-L454 HydrophobicContact CG-CD1 3.81Å; L446-L454 HydrophobicContact CB-CD2 3.83Å; L446-L454 HydrophobicContact CD1-CD2 3.71Å; L446-L454 HydrophobicContact CD2-CD2 4.24Å; L446-L454 HydrophobicContact CG-CD2 4.12Å
455G86.5Confident75.7Confident10 Ų1045.6 Ų45.610%0.10328%0.275CS..  trans-100.3164.2179.300000114.2A363 Q453 E458 L459A363-G455 VanDerWaalsContact CB-C 3.42Å; Q453-G455 VanDerWaalsContact C-N 3.27Å; Q453-G455 PolarHBondContact O-N 3.32Å; Q453-G455 VanDerWaalsContact O-N 3.16Å; G455-E458 VanDerWaalsContact CA-OE2 3.23Å; G455-E458 WeakPolarHBondContact CA-OE2 3.28Å; G455-L459 VanDerWaalsContact O-CB 3.24Å; G455-L459 WeakPolarHBondContact O-CB 3.39Å; G455-L459 PolarHBondContact O-N 3.18Å; G455-L459 VanDerWaalsContact O-N 3.14Å
456H90.3Very high76.2Confident19 Ų1942.9 Ų42.99%0.08827%0.269CS..Hα-helixtrans-64.7-43.9-177.3-67.890.4000112A361 A363 L460 I475 M479 M484A361-H456 PolarHBondContact O-CE1 3.27Å; A361-H456 PolarHBondContact O-ND1 2.99Å; A363-H456 HydrophobicContact CB-CB 4.45Å; A363-H456 PolarHBondContact N-CE1 3.39Å; H456-L460 WeakPolarHBondContact O-CB 3.18Å; H456-L460 PolarHBondContact O-N 2.99Å; H456-I475 HydrophobicContact CB-CG2 4.35Å; H456-M479 HydrophobicContact CB-CE 4.02Å; H456-M479 HydrophobicContact CB-CG 4.43Å; H456-M479 HydrophobicContact CB-SD 4.32Å; H456-M484 HydrophobicContact CB-CE 4.14Å
457V89.8Confident77.4Confident6 Ų645.3 Ų45.34%0.03630%0.295CS..Hα-helixtrans-70.2-43.8-175.7179.90000110.4L459 L460 Q461 M479 E487 Q490V457-L459 VanDerWaalsContact C-N 3.34Å; V457-L459 PolarHBondContact O-N 3.11Å; V457-L460 PolarHBondContact O-N 3.09Å; V457-Q461 HydrophobicContact CG1-CG 4.49Å; V457-Q461 WeakPolarHBondContact O-CB 3.09Å; V457-Q461 VanDerWaalsContact O-CG 3.28Å; V457-Q461 WeakPolarHBondContact O-CG 3.44Å; V457-Q461 PolarHBondContact O-N 3.08Å; V457-M479 HydrophobicContact CG2-CE 4.34Å; V457-E487 HydrophobicContact CG2-CB 3.69Å; V457-E487 HydrophobicContact CG2-CG 4.09Å; V457-Q490 HydrophobicContact CG1-CB 4.41Å
458E87.9Confident79.3Confident44 Ų4444.4 Ų44.421%0.20628%0.281CS..Hα-helixtrans-61.7-44.6178.8-65.969-15100110.7L446 T450 G455 Q461 Q462L446-E458 HydrophobicContact CD2-CB 4.29Å; T450-E458 HydrophobicContact CG2-CB 4.2Å; T450-E458 HydrophobicContact CG2-CG 4.11Å; G455-E458 VanDerWaalsContact CA-OE2 3.23Å; G455-E458 WeakPolarHBondContact CA-OE2 3.28Å; E458-Q461 PolarHBondContact O-N 2.84Å; E458-Q462 WeakPolarHBondContact O-CB 3.36Å; E458-Q462 PolarHBondContact O-N 2.81Å
459L90.2Very high82Confident1 Ų139.6 Ų39.61%0.00524%0.24CC..Hα-helixtrans-67.5-43.8178.9-170.665.6000112V364 D378 L384 L446 G455 V457 Q461 Q462 R463 I475V364-L459 HydrophobicContact CG1-CD2 3.68Å; D378-L459 HydrophobicContact CB-CD2 3.62Å; L384-L459 HydrophobicContact CD1-CD1 3.73Å; L384-L459 HydrophobicContact CD1-CD2 4.05Å; L384-L459 HydrophobicContact CD1-CG 4.45Å; L384-L459 HydrophobicContact CD2-CD1 3.74Å; L384-L459 HydrophobicContact CG-CD1 4.39Å; L446-L459 HydrophobicContact CD1-CD1 4.49Å; L446-L459 HydrophobicContact CD2-CD1 4.3Å; G455-L459 VanDerWaalsContact O-CB 3.24Å; G455-L459 WeakPolarHBondContact O-CB 3.39Å; G455-L459 PolarHBondContact O-N 3.18Å; G455-L459 VanDerWaalsContact O-N 3.14Å; V457-L459 VanDerWaalsContact C-N 3.34Å; V457-L459 PolarHBondContact O-N 3.11Å; L459-Q461 VanDerWaalsContact C-N 3.32Å; L459-Q461 PolarHBondContact O-N 2.85Å; L459-Q462 PolarHBondContact O-N 3.4Å; L459-R463 WeakPolarHBondContact O-CG 3.47Å; L459-R463 PolarHBondContact O-N 3.43Å; L459-I475 HydrophobicContact CB-CD1 4.33Å; L459-I475 HydrophobicContact CD2-CD1 3.88Å; L459-I475 HydrophobicContact CG-CD1 3.84Å
460L93.7Very high84.7Confident0 Ų041.9 Ų41.90%024%0.238CC..Hα-helixtrans-57.9-46.7174178.1158000110.5H456 V457 Q462 R463 L464 A472 I475 L476 V495H456-L460 WeakPolarHBondContact O-CB 3.18Å; H456-L460 PolarHBondContact O-N 2.99Å; V457-L460 PolarHBondContact O-N 3.09Å; L460-Q462 PolarHBondContact O-N 3.43Å; L460-R463 WeakPolarHBondContact O-CB 3.35Å; L460-R463 PolarHBondContact O-N 3.11Å; L460-L464 HydrophobicContact CD2-CD1 3.65Å; L460-L464 HydrophobicContact CD2-CG 4.25Å; L460-L464 WeakPolarHBondContact O-CG 3.26Å; L460-L464 PolarHBondContact O-N 3.07Å; L460-A472 HydrophobicContact CG-CB 4.17Å; L460-I475 HydrophobicContact CB-CD1 4.44Å; L460-I475 HydrophobicContact CB-CG2 4.23Å; L460-I475 HydrophobicContact CD1-CG2 4.49Å; L460-L476 HydrophobicContact CD1-CB 4Å; L460-V495 HydrophobicContact CD1-CG2 4.19Å; L460-V495 HydrophobicContact CD2-CG2 3.96Å; L460-V495 HydrophobicContact CG-CG2 4.31Å
461Q91.3Very high86.8Confident63 Ų6342.4 Ų42.429%0.29424%0.237SC..Hα-helixtrans-61-45176.1-74.9177.55.200111V457 E458 L459 R463 L464 H465V457-Q461 HydrophobicContact CG1-CG 4.49Å; V457-Q461 WeakPolarHBondContact O-CB 3.09Å; V457-Q461 VanDerWaalsContact O-CG 3.28Å; V457-Q461 WeakPolarHBondContact O-CG 3.44Å; V457-Q461 PolarHBondContact O-N 3.08Å; E458-Q461 PolarHBondContact O-N 2.84Å; L459-Q461 VanDerWaalsContact C-N 3.32Å; L459-Q461 PolarHBondContact O-N 2.85Å; Q461-R463 VanDerWaalsContact C-N 3.33Å; Q461-R463 PolarHBondContact O-N 3.08Å; Q461-L464 WeakPolarHBondContact O-CB 3.24Å; Q461-L464 PolarHBondContact O-N 2.83Å; Q461-L464 VanDerWaalsContact O-N 3.15Å; Q461-H465 PolarHBondContact O-N 2.86Å; Q461-H465 PolarHBondContact O-ND1 3.23Å
462Q89.1Confident89Confident33 Ų3338.7 Ų38.715%0.15420%0.199CC..Hα-helixtrans-59-44.1177.7-171.5-178.6-4.800111.8A3 F4 E458 L459 L460 L464 H465 C466A3-Q462 HydrophobicContact CB-CG 4.08Å; F4-Q462 PolarHBondContact O-NE2 3.48Å; E458-Q462 WeakPolarHBondContact O-CB 3.36Å; E458-Q462 PolarHBondContact O-N 2.81Å; L459-Q462 PolarHBondContact O-N 3.4Å; L460-Q462 PolarHBondContact O-N 3.43Å; Q462-L464 VanDerWaalsContact C-N 3.34Å; Q462-L464 PolarHBondContact O-N 2.92Å; Q462-H465 PolarHBondContact O-N 2.97Å; Q462-C466 PolarHBondContact O-N 2.77Å; Q462-C466 PolarHBondContact O-SG 2.87Å
463R92.6Very high90.7Very high2 Ų238.3 Ų38.31%0.00819%0.192CC..Hα-helixtrans-57.5-45.2174-70.8-69-164.9-1685.5111.6A3 D378 A382 P383 L384 L459 L460 Q461 H465 C466 G467 Q468 E471 A472 I475A3-R463 HydrophobicContact CB-CG 4.48Å; D378-R463 IonicContact OD2-CZ 2.71Å; D378-R463 IonicContact OD2-NE 3.26Å; D378-R463 PolarHBondContact OD2-NE 2.96Å; D378-R463 IonicContact OD2-NH2 3.7Å; D378-R463 PolarHBondContact OD2-NH2 3.27Å; A382-R463 PolarHBondContact O-NH2 3.38Å; P383-R463 PolarHBondContact O-NH1 3.36Å; P383-R463 PolarHBondContact O-NH2 3.26Å; L384-R463 VanDerWaalsContact CD2-NH2 3.25Å; L459-R463 WeakPolarHBondContact O-CG 3.47Å; L459-R463 PolarHBondContact O-N 3.43Å; L460-R463 WeakPolarHBondContact O-CB 3.35Å; L460-R463 PolarHBondContact O-N 3.11Å; Q461-R463 VanDerWaalsContact C-N 3.33Å; Q461-R463 PolarHBondContact O-N 3.08Å; R463-H465 PolarHBondContact O-N 2.86Å; R463-C466 CarbonylContact O-C 3.55Å; R463-C466 PolarHBondContact O-N 3.4Å; R463-C466 VanDerWaalsContact O-N 3.16Å; R463-G467 PolarHBondContact O-N 2.82Å; R463-Q468 HydrophobicContact CB-CB 4.18Å; R463-Q468 WeakPolarHBondContact O-CB 3.29Å; R463-Q468 PolarHBondContact O-N 2.75Å; R463-E471 HydrophobicContact CG-CB 4.32Å; R463-A472 HydrophobicContact CB-CB 3.92Å; R463-I475 HydrophobicContact CG-CD1 4.14Å
464L93.9Very high91.8Very high9 Ų934.8 Ų34.85%0.04718%0.18CC..Hα-helixtrans-62.1-41.3176.1-67.5176.8000112.7L460 Q461 Q462 C466 G467 V469 A472 V495 H498L460-L464 HydrophobicContact CD2-CD1 3.65Å; L460-L464 HydrophobicContact CD2-CG 4.25Å; L460-L464 WeakPolarHBondContact O-CG 3.26Å; L460-L464 PolarHBondContact O-N 3.07Å; Q461-L464 WeakPolarHBondContact O-CB 3.24Å; Q461-L464 PolarHBondContact O-N 2.83Å; Q461-L464 VanDerWaalsContact O-N 3.15Å; Q462-L464 VanDerWaalsContact C-N 3.34Å; Q462-L464 PolarHBondContact O-N 2.92Å; L464-C466 PolarHBondContact O-N 2.84Å; L464-G467 PolarHBondContact O-N 2.76Å; L464-V469 HydrophobicContact CD2-CG1 4.39Å; L464-V469 HydrophobicContact CD2-CG2 4.22Å; L464-A472 HydrophobicContact CD2-CB 3.67Å; L464-A472 HydrophobicContact CG-CB 3.88Å; L464-V495 HydrophobicContact CD1-CG2 4.11Å; L464-V495 HydrophobicContact CD2-CG2 4.32Å; L464-H498 HydrophobicContact CD1-CB 4.28Å; L464-H498 HydrophobicContact CD2-CB 4.42Å; L464-H498 PolarHBondContact O-CE1 2.93Å; L464-H498 VanDerWaalsContact O-CE1 3.31Å
465H90.3Very high92.5Very high142 Ų14234.7 Ų34.766%0.65718%0.18SC*.Hα-helixtrans-62.2-32.6175.6-73.389.6000112.1Q461 Q462 R463 G467Q461-H465 PolarHBondContact O-N 2.86Å; Q461-H465 PolarHBondContact O-ND1 3.23Å; Q462-H465 PolarHBondContact O-N 2.97Å; R463-H465 PolarHBondContact O-N 2.86Å; H465-G467 VanDerWaalsContact C-N 3.28Å; H465-G467 PolarHBondContact O-N 2.81Å
466C90.6Very high92.9Very high31 Ų3134.2 Ų34.221%0.20918%0.175CC..THydrogen-bonded Turntrans-81-2.6175.3-70.40000114Q1 A3 Q462 R463 L464 Q468Q1-C466 WeakPolarHBondContact O-CB 3.31Å; A3-C466 VanDerWaalsContact CA-SG 3.6Å; A3-C466 HydrophobicContact CB-CB 4.39Å; A3-C466 PolarHBondContact N-SG 2.84Å; Q462-C466 PolarHBondContact O-N 2.77Å; Q462-C466 PolarHBondContact O-SG 2.87Å; R463-C466 CarbonylContact O-C 3.55Å; R463-C466 PolarHBondContact O-N 3.4Å; R463-C466 VanDerWaalsContact O-N 3.16Å; L464-C466 PolarHBondContact O-N 2.84Å; C466-Q468 VanDerWaalsContact C-N 3.26Å; C466-Q468 HydrophobicContact CB-CG 4.08Å; C466-Q468 PolarHBondContact O-N 3.08Å
467G92.1Very high93Very high53 Ų5336.3 Ų36.355%0.54619%0.185SC..THydrogen-bonded Turntrans75.311.7-175.400000114.3R463 L464 H465 V469R463-G467 PolarHBondContact O-N 2.82Å; L464-G467 PolarHBondContact O-N 2.76Å; H465-G467 VanDerWaalsContact C-N 3.28Å; H465-G467 PolarHBondContact O-N 2.81Å; G467-V469 VanDerWaalsContact C-N 3.31Å; G467-V469 PolarHBondContact O-N 3.4Å; G467-V469 VanDerWaalsContact O-N 3.13Å
468Q94Very high93.1Very high17 Ų1736.3 Ų36.38%0.07919%0.186CC..  trans-87.265.5-179.1-63.5-170.3-81.300110.9M2 A3 R463 C466 R470 E471 A472M2-Q468 HydrophobicContact SD-CG 4.47Å; M2-Q468 PolarHBondContact SD-NE2 3.09Å; A3-Q468 VanDerWaalsContact CB-OE1 3.23Å; R463-Q468 HydrophobicContact CB-CB 4.18Å; R463-Q468 WeakPolarHBondContact O-CB 3.29Å; R463-Q468 PolarHBondContact O-N 2.75Å; C466-Q468 VanDerWaalsContact C-N 3.26Å; C466-Q468 HydrophobicContact CB-CG 4.08Å; C466-Q468 PolarHBondContact O-N 3.08Å; Q468-R470 PolarHBondContact O-N 2.83Å; Q468-E471 WeakPolarHBondContact CA-OE2 3.48Å; Q468-E471 HydrophobicContact CB-CB 4.32Å; Q468-E471 HydrophobicContact CB-CG 4.48Å; Q468-E471 WeakPolarHBondContact CB-OE2 3.29Å; Q468-E471 PolarHBondContact NE2-OE1 3.49Å; Q468-A472 PolarHBondContact O-N 3.5Å; Q468-A472 VanDerWaalsContact O-N 3.09Å
469V96.1Very high93.3Very high13 Ų1334.3 Ų34.38%0.07918%0.176CC..Hα-helixtrans-68.3-34.3-173.4-175.90000112.3L464 G467 A472 L473 V495 L499 Q511L464-V469 HydrophobicContact CD2-CG1 4.39Å; L464-V469 HydrophobicContact CD2-CG2 4.22Å; G467-V469 VanDerWaalsContact C-N 3.31Å; G467-V469 PolarHBondContact O-N 3.4Å; G467-V469 VanDerWaalsContact O-N 3.13Å; V469-A472 PolarHBondContact O-N 2.78Å; V469-L473 HydrophobicContact CG1-CD1 4.28Å; V469-L473 HydrophobicContact CG1-CG 4.45Å; V469-L473 WeakPolarHBondContact O-CG 3.46Å; V469-L473 PolarHBondContact O-N 3.2Å; V469-V495 HydrophobicContact CG1-CG1 4.5Å; V469-L499 HydrophobicContact CG1-CD1 4.07Å; V469-L499 HydrophobicContact CG1-CD2 4.04Å; V469-L499 HydrophobicContact CG1-CG 4.26Å; V469-L499 HydrophobicContact CG2-CD2 4.31Å; V469-Q511 HydrophobicContact CG1-CB 4.36Å; V469-Q511 HydrophobicContact CG1-CG 4.26Å
470R95.7Very high93.2Very high198 Ų19835.3 Ų35.375%0.74718%0.182SC*.Hα-helixtrans-65.2-42.2-179.2-66.8-179.168.8170.70.5111.2Q468 L473 G474Q468-R470 PolarHBondContact O-N 2.83Å; R470-L473 WeakPolarHBondContact O-CB 3.41Å; R470-L473 PolarHBondContact O-N 2.8Å; R470-G474 PolarHBondContact O-N 2.99Å
471E95.4Very high93.1Very high58 Ų5835.5 Ų35.527%0.27118%0.182SC..Hα-helixtrans-68.4-41176.6-61.288.4151.100110.8A382 R463 Q468 L473 G474 I475A382-E471 HydrophobicContact CB-CB 4.3Å; A382-E471 HydrophobicContact CB-CG 3.8Å; R463-E471 HydrophobicContact CG-CB 4.32Å; Q468-E471 WeakPolarHBondContact CA-OE2 3.48Å; Q468-E471 HydrophobicContact CB-CB 4.32Å; Q468-E471 HydrophobicContact CB-CG 4.48Å; Q468-E471 WeakPolarHBondContact CB-OE2 3.29Å; Q468-E471 PolarHBondContact NE2-OE1 3.49Å; E471-L473 VanDerWaalsContact C-N 3.31Å; E471-L473 PolarHBondContact O-N 2.9Å; E471-G474 PolarHBondContact O-N 3.06Å; E471-G474 VanDerWaalsContact O-N 3.14Å; E471-I475 WeakPolarHBondContact O-CG1 3.25Å; E471-I475 PolarHBondContact O-N 3.19Å
472A96.6Very high92.9Very high0 Ų035.7 Ų35.70%019%0.191CC..Hα-helixtrans-59.6-4017300000112.5L460 R463 L464 Q468 V469 I475 L476L460-A472 HydrophobicContact CG-CB 4.17Å; R463-A472 HydrophobicContact CB-CB 3.92Å; L464-A472 HydrophobicContact CD2-CB 3.67Å; L464-A472 HydrophobicContact CG-CB 3.88Å; Q468-A472 PolarHBondContact O-N 3.5Å; Q468-A472 VanDerWaalsContact O-N 3.09Å; V469-A472 PolarHBondContact O-N 2.78Å; A472-I475 PolarHBondContact O-N 3Å; A472-L476 PolarHBondContact O-N 3.06Å; A472-L476 VanDerWaalsContact O-N 3.09Å
473L96.1Very high92.8Very high11 Ų1139.2 Ų39.26%0.05822%0.215CC..Hα-helixtrans-66.3-40.3172.9-77.3170000112.2V469 R470 E471 I475 L476 E477 V495 Q511 A514 A515V469-L473 HydrophobicContact CG1-CD1 4.28Å; V469-L473 HydrophobicContact CG1-CG 4.45Å; V469-L473 WeakPolarHBondContact O-CG 3.46Å; V469-L473 PolarHBondContact O-N 3.2Å; R470-L473 WeakPolarHBondContact O-CB 3.41Å; R470-L473 PolarHBondContact O-N 2.8Å; E471-L473 VanDerWaalsContact C-N 3.31Å; E471-L473 PolarHBondContact O-N 2.9Å; L473-I475 VanDerWaalsContact C-N 3.26Å; L473-I475 PolarHBondContact O-N 2.67Å; L473-L476 HydrophobicContact CD2-CD2 4.45Å; L473-L476 PolarHBondContact O-N 3.37Å; L473-L476 VanDerWaalsContact O-N 3.11Å; L473-E477 WeakPolarHBondContact O-CB 3.37Å; L473-E477 WeakPolarHBondContact O-CG 3.48Å; L473-E477 PolarHBondContact O-N 3.01Å; L473-V495 HydrophobicContact CD2-CG1 3.84Å; L473-V495 HydrophobicContact CG-CG1 4.28Å; L473-Q511 HydrophobicContact CD1-CB 3.75Å; L473-Q511 HydrophobicContact CD1-CG 3.75Å; L473-A514 HydrophobicContact CD1-CB 4.21Å; L473-A514 HydrophobicContact CD2-CB 4.4Å; L473-A515 HydrophobicContact CD2-CB 3.81Å
474G94.6Very high92.6Very high18 Ų1840.5 Ų40.519%0.18622%0.221CC..Hα-helixtrans-58-39.5175.500000112.6R470 E471 A478R470-G474 PolarHBondContact O-N 2.99Å; E471-G474 PolarHBondContact O-N 3.06Å; E471-G474 VanDerWaalsContact O-N 3.14Å; G474-A478 PolarHBondContact O-N 2.89Å
475I95Very high92.5Very high0 Ų040.7 Ų40.70%022%0.224CC..Hα-helixtrans-63.2-51.5171.8-62.8167000110.2D378 V379 H456 L459 L460 R463 E471 A472 L473 E477 A478 M479D378-I475 HydrophobicContact CB-CD1 4.18Å; D378-I475 HydrophobicContact CB-CG1 4.16Å; V379-I475 HydrophobicContact CG1-CB 4.22Å; V379-I475 HydrophobicContact CG1-CG1 4.18Å; V379-I475 HydrophobicContact CG1-CG2 4.02Å; H456-I475 HydrophobicContact CB-CG2 4.35Å; L459-I475 HydrophobicContact CB-CD1 4.33Å; L459-I475 HydrophobicContact CD2-CD1 3.88Å; L459-I475 HydrophobicContact CG-CD1 3.84Å; L460-I475 HydrophobicContact CB-CD1 4.44Å; L460-I475 HydrophobicContact CB-CG2 4.23Å; L460-I475 HydrophobicContact CD1-CG2 4.49Å; R463-I475 HydrophobicContact CG-CD1 4.14Å; E471-I475 WeakPolarHBondContact O-CG1 3.25Å; E471-I475 PolarHBondContact O-N 3.19Å; A472-I475 PolarHBondContact O-N 3Å; L473-I475 VanDerWaalsContact C-N 3.26Å; L473-I475 PolarHBondContact O-N 2.67Å; I475-E477 VanDerWaalsContact C-N 3.31Å; I475-E477 PolarHBondContact O-N 3.25Å; I475-A478 PolarHBondContact O-N 2.84Å; I475-A478 VanDerWaalsContact O-N 3.08Å; I475-M479 WeakPolarHBondContact O-CG 3.43Å; I475-M479 PolarHBondContact O-N 2.76Å
476L95.5Very high92.6Very high0 Ų038.7 Ų38.70%022%0.218CC..Hα-helixtrans-58.7-39.5-179-177.862.2000113L460 A472 L473 A478 M479 S488 L492 V495 A515 V518L460-L476 HydrophobicContact CD1-CB 4Å; A472-L476 PolarHBondContact O-N 3.06Å; A472-L476 VanDerWaalsContact O-N 3.09Å; L473-L476 HydrophobicContact CD2-CD2 4.45Å; L473-L476 PolarHBondContact O-N 3.37Å; L473-L476 VanDerWaalsContact O-N 3.11Å; L476-A478 VanDerWaalsContact C-N 3.3Å; L476-A478 PolarHBondContact O-N 2.93Å; L476-M479 HydrophobicContact CD1-SD 4.06Å; L476-M479 PolarHBondContact O-N 3.39Å; L476-S488 WeakPolarHBondContact CD1-O 3.38Å; L476-L492 HydrophobicContact CD1-CB 4.29Å; L476-L492 HydrophobicContact CD2-CB 4.19Å; L476-V495 HydrophobicContact CD2-CG2 4.32Å; L476-A515 HydrophobicContact CD2-CB 4.38Å; L476-V518 HydrophobicContact CD2-CG2 4.36Å; L476-V518 HydrophobicContact CG-CG2 4.21Å
477E92.9Very high92.7Very high63 Ų6341 Ų4129%0.29423%0.226SC..Hα-helixtrans-69.2-27.1178-72.7-178.1171.700113R341 L473 I475 R517 V518R341-E477 IonicContact NH1-OE2 3.25Å; L473-E477 WeakPolarHBondContact O-CB 3.37Å; L473-E477 WeakPolarHBondContact O-CG 3.48Å; L473-E477 PolarHBondContact O-N 3.01Å; I475-E477 VanDerWaalsContact C-N 3.31Å; I475-E477 PolarHBondContact O-N 3.25Å; E477-R517 IonicContact OE1-NH1 2.73Å; E477-V518 HydrophobicContact CG-CG2 3.9Å
478A91.5Very high92.8Very high7 Ų738.5 Ų38.56%0.05820%0.2CC..Hα-helixtrans-82-21.2177.100000112.9R340 V379 G474 I475 L476R340-A478 PolarHBondContact NH1-O 3.39Å; V379-A478 HydrophobicContact CB-CB 4.33Å; V379-A478 HydrophobicContact CG1-CB 3.7Å; V379-A478 HydrophobicContact CG2-CB 3.78Å; G474-A478 PolarHBondContact O-N 2.89Å; I475-A478 PolarHBondContact O-N 2.84Å; I475-A478 VanDerWaalsContact O-N 3.08Å; L476-A478 VanDerWaalsContact C-N 3.3Å; L476-A478 PolarHBondContact O-N 2.93Å
479M91.6Very high92.9Very high2 Ų240.4 Ų40.41%0.0121%0.207CC..SBendtrans-61.3149.9178.4-67.1172.282.900111.7R340 H456 V457 I475 L476 M484 E487R340-M479 PolarHBondContact NH1-O 2.99Å; R340-M479 VanDerWaalsContact NH1-O 3.09Å; H456-M479 HydrophobicContact CB-CE 4.02Å; H456-M479 HydrophobicContact CB-CG 4.43Å; H456-M479 HydrophobicContact CB-SD 4.32Å; V457-M479 HydrophobicContact CG2-CE 4.34Å; I475-M479 WeakPolarHBondContact O-CG 3.43Å; I475-M479 PolarHBondContact O-N 2.76Å; L476-M479 HydrophobicContact CD1-SD 4.06Å; L476-M479 PolarHBondContact O-N 3.39Å; M479-M484 HydrophobicContact CB-SD 3.87Å; M479-M484 HydrophobicContact CE-CE 3.42Å; M479-M484 VanDerWaalsContact CE-CE 3.42Å; M479-M484 HydrophobicContact CE-SD 4.13Å; M479-M484 HydrophobicContact CG-CE 4.3Å; M479-M484 HydrophobicContact CG-SD 4.03Å; M479-E487 HydrophobicContact CE-CB 3.63Å; M479-E487 WeakPolarHBondContact CE-O 3.45Å
480D88.9Confident92.9Very high22 Ų2244.4 Ų44.412%0.11823%0.225CC..  trans-110.999.9-178.1-17817.7000112.1R340 S482 T483 M484R340-D480 IonicContact CZ-OD1 3.26Å; R340-D480 IonicContact NE-OD1 3.3Å; R340-D480 IonicContact NH2-OD1 2.95Å; R340-D480 PolarHBondContact NH2-OD1 3.42Å; R340-D480 VanDerWaalsContact NH2-OD1 3.09Å; D480-S482 PolarHBondContact O-N 3.15Å; D480-S482 WeakPolarHBondContact OD1-CB 3.45Å; D480-S482 PolarHBondContact OD1-N 3.43Å; D480-S482 PolarHBondContact OD1-OG 3.09Å; D480-S482 PolarHBondContact OD2-OG 2.94Å; D480-T483 WeakPolarHBondContact CB-OG1 3.4Å; D480-T483 PolarHBondContact O-N 3.01Å; D480-T483 PolarHBondContact O-OG1 2.99Å; D480-T483 PolarHBondContact OD2-OG1 3.09Å; D480-T483 VanDerWaalsContact OD2-OG1 3.06Å; D480-M484 HydrophobicContact CB-CG 4.5Å; D480-M484 WeakPolarHBondContact O-CG 3.43Å; D480-M484 PolarHBondContact O-N 2.86Å
481W91Very high92.9Very high3 Ų335 Ų351%0.01119%0.189CC..THydrogen-bonded Turntrans-54.7-19.9175.1-76.585.4000114.6A485 S488 L492 F519 L526 I530 Y534 V538W481-A485 HydrophobicContact CE3-CB 4.44Å; W481-A485 WeakPolarHBondContact O-CB 3.5Å; W481-S488 VanDerWaalsContact CE2-CB 3.49Å; W481-L492 HydrophobicContact CH2-CD1 4.46Å; W481-L492 HydrophobicContact CZ2-CD1 4.02Å; W481-F519 HydrophobicContact CD2-CD2 4.35Å; W481-F519 HydrophobicContact CE3-CD2 4.1Å; W481-F519 HydrophobicContact CE3-CE2 4.43Å; W481-F519 AromaticContact CH2-CD2 3.8Å; W481-F519 HydrophobicContact CH2-CD2 3.8Å; W481-F519 HydrophobicContact CH2-CE2 4.5Å; W481-F519 HydrophobicContact CZ2-CB 4.25Å; W481-F519 HydrophobicContact CZ2-CD2 4.06Å; W481-F519 AromaticContact CZ3-CD2 3.83Å; W481-F519 HydrophobicContact CZ3-CD2 3.83Å; W481-F519 HydrophobicContact CZ3-CE2 4.16Å; W481-L526 HydrophobicContact CB-CD2 3.37Å; W481-L526 HydrophobicContact CG-CD2 3.9Å; W481-I530 HydrophobicContact CB-CG2 4.44Å; W481-I530 HydrophobicContact CE3-CG2 3.79Å; W481-Y534 HydrophobicContact CZ3-CD1 4.15Å; W481-Y534 HydrophobicContact CZ3-CD2 4.35Å; W481-Y534 AromaticContact CZ3-CG 3.93Å; W481-Y534 HydrophobicContact CZ3-CG 3.93Å; W481-V538 HydrophobicContact CH2-CG2 4.43Å
482S87.7Confident93Very high67 Ų6732.2 Ų32.247%0.46918%0.176SC..THydrogen-bonded Turntrans-76.8-26.8177.475.70000113.4D480D480-S482 PolarHBondContact O-N 3.15Å; D480-S482 WeakPolarHBondContact OD1-CB 3.45Å; D480-S482 PolarHBondContact OD1-N 3.43Å; D480-S482 PolarHBondContact OD1-OG 3.09Å; D480-S482 PolarHBondContact OD2-OG 2.94Å
483T86.1Confident93Very high108 Ų10833.2 Ų33.266%0.66318%0.183SC*.THydrogen-bonded Turntrans-113-28.8-176.649.90000113.3D480D480-T483 WeakPolarHBondContact CB-OG1 3.4Å; D480-T483 PolarHBondContact O-N 3.01Å; D480-T483 PolarHBondContact O-OG1 2.99Å; D480-T483 PolarHBondContact OD2-OG1 3.09Å; D480-T483 VanDerWaalsContact OD2-OG1 3.06Å
484M88.3Confident93Very high29 Ų2934 Ų3414%0.14319%0.19CC..  trans-134.153.4-173.457.1176.8-31.500111.9H456 M479 D480 E487 S488H456-M484 HydrophobicContact CB-CE 4.14Å; M479-M484 HydrophobicContact CB-SD 3.87Å; M479-M484 HydrophobicContact CE-CE 3.42Å; M479-M484 VanDerWaalsContact CE-CE 3.42Å; M479-M484 HydrophobicContact CE-SD 4.13Å; M479-M484 HydrophobicContact CG-CE 4.3Å; M479-M484 HydrophobicContact CG-SD 4.03Å; D480-M484 HydrophobicContact CB-CG 4.5Å; D480-M484 WeakPolarHBondContact O-CG 3.43Å; D480-M484 PolarHBondContact O-N 2.86Å; M484-E487 WeakPolarHBondContact CA-OE2 3.45Å; M484-E487 HydrophobicContact CB-CB 4.34Å; M484-E487 WeakPolarHBondContact CB-OE2 3.39Å; M484-E487 HydrophobicContact CE-CB 3.81Å; M484-E487 HydrophobicContact CE-CG 4.3Å; M484-S488 VanDerWaalsContact O-CB 3.26Å; M484-S488 WeakPolarHBondContact O-CB 3.48Å; M484-S488 PolarHBondContact O-N 2.81Å; M484-S488 PolarHBondContact O-OG 2.85Å
485A92.1Very high93.2Very high13 Ų1333.1 Ų33.111%0.10718%0.181CC..Hα-helixtrans-63.6-42.2-174.700000113.5W481 S488 Y489 I530 Y534W481-A485 HydrophobicContact CE3-CB 4.44Å; W481-A485 WeakPolarHBondContact O-CB 3.5Å; A485-S488 PolarHBondContact O-N 2.59Å; A485-Y489 WeakPolarHBondContact O-CB 3.48Å; A485-Y489 PolarHBondContact O-N 3.05Å; A485-I530 HydrophobicContact CB-CD1 3.83Å; A485-I530 HydrophobicContact CB-CG2 4.32Å; A485-Y534 HydrophobicContact CB-CD2 4.45Å; A485-Y534 HydrophobicContact CB-CE2 3.68Å
486D92.9Very high93.3Very high100 Ų10033.2 Ų33.254%0.53518%0.181SC..Hα-helixtrans-60.4-50.8178.5-79.2-56.7000110.8S488 Y489 Q490 Y534D486-S488 VanDerWaalsContact C-N 3.34Å; D486-S488 PolarHBondContact O-N 2.95Å; D486-Y489 PolarHBondContact O-N 2.83Å; D486-Q490 VanDerWaalsContact O-CG 3.27Å; D486-Q490 WeakPolarHBondContact O-CG 3.46Å; D486-Q490 PolarHBondContact O-N 3.15Å; D486-Y534 WeakPolarHBondContact CA-OH 3.46Å; D486-Y534 PolarHBondContact N-OH 2.95Å; D486-Y534 PolarHBondContact OD1-OH 3.22Å
487E92.6Very high93.4Very high80 Ų8034.7 Ų34.737%0.37419%0.189SC..Hα-helixtrans-63.3-41.1178.1-63.685.9170.200111.1V457 M479 M484 Y489 Q490 G491V457-E487 HydrophobicContact CG2-CB 3.69Å; V457-E487 HydrophobicContact CG2-CG 4.09Å; M479-E487 HydrophobicContact CE-CB 3.63Å; M479-E487 WeakPolarHBondContact CE-O 3.45Å; M484-E487 WeakPolarHBondContact CA-OE2 3.45Å; M484-E487 HydrophobicContact CB-CB 4.34Å; M484-E487 WeakPolarHBondContact CB-OE2 3.39Å; M484-E487 HydrophobicContact CE-CB 3.81Å; M484-E487 HydrophobicContact CE-CG 4.3Å; E487-Y489 VanDerWaalsContact C-N 3.34Å; E487-Y489 PolarHBondContact O-N 3.31Å; E487-Q490 PolarHBondContact O-N 3.46Å; E487-G491 PolarHBondContact O-N 3.21Å
488S94.6Very high93.5Very high0 Ų034.1 Ų34.10%019%0.186CC..Hα-helixtrans-63-42178.3-59.70000111.3L476 W481 M484 A485 D486 G491 L492L476-S488 WeakPolarHBondContact CD1-O 3.38Å; W481-S488 VanDerWaalsContact CE2-CB 3.49Å; M484-S488 VanDerWaalsContact O-CB 3.26Å; M484-S488 WeakPolarHBondContact O-CB 3.48Å; M484-S488 PolarHBondContact O-N 2.81Å; M484-S488 PolarHBondContact O-OG 2.85Å; A485-S488 PolarHBondContact O-N 2.59Å; D486-S488 VanDerWaalsContact C-N 3.34Å; D486-S488 PolarHBondContact O-N 2.95Å; S488-G491 PolarHBondContact O-N 2.85Å; S488-L492 WeakPolarHBondContact O-CB 3.38Å; S488-L492 PolarHBondContact O-N 3.28Å
489Y96.6Very high93.8Very high56 Ų5633.9 Ų33.922%0.2218%0.184CC..Hα-helixtrans-66-42.9173.6175.2-104.6000112.3A485 D486 E487 G491 L492 S493 Y534 P537 V538 Y541A485-Y489 WeakPolarHBondContact O-CB 3.48Å; A485-Y489 PolarHBondContact O-N 3.05Å; D486-Y489 PolarHBondContact O-N 2.83Å; E487-Y489 VanDerWaalsContact C-N 3.34Å; E487-Y489 PolarHBondContact O-N 3.31Å; Y489-G491 VanDerWaalsContact C-N 3.31Å; Y489-G491 PolarHBondContact O-N 3.48Å; Y489-L492 PolarHBondContact O-N 3.36Å; Y489-S493 VanDerWaalsContact O-CB 3.26Å; Y489-S493 WeakPolarHBondContact O-CB 3.36Å; Y489-S493 PolarHBondContact O-N 3.16Å; Y489-Y534 HydrophobicContact CD1-CD1 4.38Å; Y489-Y534 HydrophobicContact CD1-CE1 4.16Å; Y489-Y534 AromaticContact CD2-CD1 3.82Å; Y489-Y534 HydrophobicContact CD2-CD1 3.82Å; Y489-Y534 HydrophobicContact CD2-CE1 4.37Å; Y489-Y534 AromaticContact CG-CD1 3.67Å; Y489-Y534 HydrophobicContact CG-CD1 3.67Å; Y489-Y534 AromaticContact CG-CE1 3.75Å; Y489-Y534 HydrophobicContact CG-CE1 3.75Å; Y489-P537 HydrophobicContact CD2-CB 4.43Å; Y489-P537 HydrophobicContact CE2-CB 3.52Å; Y489-P537 WeakPolarHBondContact OH-CB 3.35Å; Y489-V538 HydrophobicContact CD2-CG2 4.07Å; Y489-V538 HydrophobicContact CE2-CG2 4.23Å; Y489-Y541 HydrophobicContact CE2-CE2 4.11Å
490Q95.4Very high94Very high98 Ų9834.9 Ų34.946%0.45819%0.189SC..Hα-helixtrans-60.3-41.2175-72.9176.615.500111.9V457 D486 E487 S494V457-Q490 HydrophobicContact CG1-CB 4.41Å; D486-Q490 VanDerWaalsContact O-CG 3.27Å; D486-Q490 WeakPolarHBondContact O-CG 3.46Å; D486-Q490 PolarHBondContact O-N 3.15Å; E487-Q490 PolarHBondContact O-N 3.46Å; Q490-S494 WeakPolarHBondContact O-CB 3.41Å; Q490-S494 PolarHBondContact O-N 3.4Å; Q490-S494 PolarHBondContact O-OG 2.82Å
491G95.6Very high94.2Very high0 Ų043.6 Ų43.60%022%0.221CC..Hα-helixtrans-61.3-52173.700000111.9E487 S488 Y489 S493 S494 V495E487-G491 PolarHBondContact O-N 3.21Å; S488-G491 PolarHBondContact O-N 2.85Å; Y489-G491 VanDerWaalsContact C-N 3.31Å; Y489-G491 PolarHBondContact O-N 3.48Å; G491-S493 VanDerWaalsContact C-N 3.32Å; G491-S493 PolarHBondContact O-N 3.37Å; G491-S494 WeakPolarHBondContact O-CB 3.46Å; G491-S494 PolarHBondContact O-N 3.09Å; G491-S494 VanDerWaalsContact O-N 3.12Å; G491-V495 WeakPolarHBondContact O-CG2 3.37Å; G491-V495 PolarHBondContact O-N 3.3Å
492L97.4Very high94.4Very high0 Ų046.4 Ų46.40%024%0.235CC..Hα-helixtrans-57.1-46.1176.7-177.2154.1000111.5L476 W481 S488 Y489 S494 V495 T496 A515 L516 F519 V538 Y541L476-L492 HydrophobicContact CD1-CB 4.29Å; L476-L492 HydrophobicContact CD2-CB 4.19Å; W481-L492 HydrophobicContact CH2-CD1 4.46Å; W481-L492 HydrophobicContact CZ2-CD1 4.02Å; S488-L492 WeakPolarHBondContact O-CB 3.38Å; S488-L492 PolarHBondContact O-N 3.28Å; Y489-L492 PolarHBondContact O-N 3.36Å; L492-S494 VanDerWaalsContact C-N 3.34Å; L492-S494 PolarHBondContact O-N 2.89Å; L492-V495 PolarHBondContact O-N 3.04Å; L492-T496 HydrophobicContact CD2-CG2 4.19Å; L492-T496 WeakPolarHBondContact O-CB 3.47Å; L492-T496 WeakPolarHBondContact O-CG2 3.49Å; L492-T496 PolarHBondContact O-N 3.47Å; L492-T496 PolarHBondContact O-OG1 3.22Å; L492-A515 WeakPolarHBondContact CD1-O 3.37Å; L492-L516 HydrophobicContact CD2-CD2 4.48Å; L492-F519 HydrophobicContact CD1-CB 4.25Å; L492-V538 HydrophobicContact CD1-CG1 4.37Å; L492-V538 HydrophobicContact CD1-CG2 4.47Å; L492-Y541 HydrophobicContact CD2-CD2 4.24Å
493S97Very high94.6Very high20 Ų2047 Ų4714%0.1424%0.238CC..Hα-helixtrans-59.3-44.5176.1175.80000111.6Y489 G491 T496 N497 Y541Y489-S493 VanDerWaalsContact O-CB 3.26Å; Y489-S493 WeakPolarHBondContact O-CB 3.36Å; Y489-S493 PolarHBondContact O-N 3.16Å; G491-S493 VanDerWaalsContact C-N 3.32Å; G491-S493 PolarHBondContact O-N 3.37Å; S493-T496 PolarHBondContact O-OG1 3.18Å; S493-N497 WeakPolarHBondContact O-CB 3.41Å; S493-N497 VanDerWaalsContact O-CG 3.27Å; S493-N497 PolarHBondContact O-N 3.24Å; S493-N497 PolarHBondContact O-ND2 2.97Å; S493-N497 PolarHBondContact OG-ND2 3.44Å; S493-N497 VanDerWaalsContact OG-ND2 3.09Å; S493-Y541 WeakPolarHBondContact CB-OH 3.32Å; S493-Y541 PolarHBondContact OG-OH 3.47Å
494S96.4Very high95Very high28 Ų2843 Ų4320%0.19621%0.212CC..Hα-helixtrans-63.9-48.1-179-62.70000111.5Q490 G491 L492 H498Q490-S494 WeakPolarHBondContact O-CB 3.41Å; Q490-S494 PolarHBondContact O-N 3.4Å; Q490-S494 PolarHBondContact O-OG 2.82Å; G491-S494 WeakPolarHBondContact O-CB 3.46Å; G491-S494 PolarHBondContact O-N 3.09Å; G491-S494 VanDerWaalsContact O-N 3.12Å; L492-S494 VanDerWaalsContact C-N 3.34Å; L492-S494 PolarHBondContact O-N 2.89Å; S494-H498 VanDerWaalsContact O-CB 3.29Å; S494-H498 WeakPolarHBondContact O-CB 3.22Å; S494-H498 PolarHBondContact O-N 3.35Å
495V97.8Very high95.3Very high0 Ų044.5 Ų44.50%022%0.221CC..Hα-helixtrans-62.8-51.9178.4177.10000110.9L460 L464 V469 L473 L476 G491 L492 N497 H498 L499 A515L460-V495 HydrophobicContact CD1-CG2 4.19Å; L460-V495 HydrophobicContact CD2-CG2 3.96Å; L460-V495 HydrophobicContact CG-CG2 4.31Å; L464-V495 HydrophobicContact CD1-CG2 4.11Å; L464-V495 HydrophobicContact CD2-CG2 4.32Å; V469-V495 HydrophobicContact CG1-CG1 4.5Å; L473-V495 HydrophobicContact CD2-CG1 3.84Å; L473-V495 HydrophobicContact CG-CG1 4.28Å; L476-V495 HydrophobicContact CD2-CG2 4.32Å; G491-V495 WeakPolarHBondContact O-CG2 3.37Å; G491-V495 PolarHBondContact O-N 3.3Å; L492-V495 PolarHBondContact O-N 3.04Å; V495-N497 PolarHBondContact O-N 2.89Å; V495-H498 PolarHBondContact O-N 3.48Å; V495-L499 HydrophobicContact CG1-CD1 3.82Å; V495-L499 WeakPolarHBondContact O-CG 3.31Å; V495-L499 PolarHBondContact O-N 3.4Å; V495-A515 HydrophobicContact CG1-CB 4.08Å
496T97.5Very high95.3Very high2 Ų246.9 Ų46.91%0.01224%0.24CC..Hα-helixtrans-64-41.9-177.451.20000112L492 S493 L499 L500 L512 A515 L516 Y541L492-T496 HydrophobicContact CD2-CG2 4.19Å; L492-T496 WeakPolarHBondContact O-CB 3.47Å; L492-T496 WeakPolarHBondContact O-CG2 3.49Å; L492-T496 PolarHBondContact O-N 3.47Å; L492-T496 PolarHBondContact O-OG1 3.22Å; S493-T496 PolarHBondContact O-OG1 3.18Å; T496-L499 PolarHBondContact O-N 2.94Å; T496-L500 WeakPolarHBondContact O-CB 3.47Å; T496-L500 WeakPolarHBondContact O-CG 3.29Å; T496-L500 PolarHBondContact O-N 3.48Å; T496-L512 HydrophobicContact CG2-CD2 4.26Å; T496-A515 HydrophobicContact CG2-CB 3.93Å; T496-L516 HydrophobicContact CG2-CD2 4.36Å; T496-Y541 WeakPolarHBondContact OG1-CD1 3.2Å; T496-Y541 WeakPolarHBondContact OG1-CE1 3.3Å
497N96.8Very high95.4Very high31 Ų3147.6 Ų47.617%0.16624%0.244CC..Hα-helixtrans-64.6-39.9175.9-80.2-47.8000112.8S493 V495 R501 Y541 R544S493-N497 WeakPolarHBondContact O-CB 3.41Å; S493-N497 VanDerWaalsContact O-CG 3.27Å; S493-N497 PolarHBondContact O-N 3.24Å; S493-N497 PolarHBondContact O-ND2 2.97Å; S493-N497 PolarHBondContact OG-ND2 3.44Å; S493-N497 VanDerWaalsContact OG-ND2 3.09Å; V495-N497 PolarHBondContact O-N 2.89Å; N497-R501 VanDerWaalsContact O-CG 3.31Å; N497-R501 WeakPolarHBondContact O-CG 3.34Å; N497-Y541 PolarHBondContact ND2-OH 2.9Å; N497-R544 VanDerWaalsContact OD1-CZ 3.27Å; N497-R544 PolarHBondContact OD1-NH1 3.12Å; N497-R544 PolarHBondContact OD1-NH2 3.28Å
498H96.2Very high95.5Very high51 Ų5147 Ų4724%0.23624%0.239CC..Hα-helixtrans-60.7-50.2175.8178.390.1000110.6L464 S494 V495 R501L464-H498 HydrophobicContact CD1-CB 4.28Å; L464-H498 HydrophobicContact CD2-CB 4.42Å; L464-H498 PolarHBondContact O-CE1 2.93Å; L464-H498 VanDerWaalsContact O-CE1 3.31Å; S494-H498 VanDerWaalsContact O-CB 3.29Å; S494-H498 WeakPolarHBondContact O-CB 3.22Å; S494-H498 PolarHBondContact O-N 3.35Å; V495-H498 PolarHBondContact O-N 3.48Å; H498-R501 PolarHBondContact O-N 3.38Å
499L96.6Very high95.5Very high1 Ų147.5 Ų47.51%0.00524%0.241CC..Hα-helixtrans-65.9-41.6-178.2-74.2174.2000113.5V469 V495 T496 R501 L502 R508 Q511 L512V469-L499 HydrophobicContact CG1-CD1 4.07Å; V469-L499 HydrophobicContact CG1-CD2 4.04Å; V469-L499 HydrophobicContact CG1-CG 4.26Å; V469-L499 HydrophobicContact CG2-CD2 4.31Å; V495-L499 HydrophobicContact CG1-CD1 3.82Å; V495-L499 WeakPolarHBondContact O-CG 3.31Å; V495-L499 PolarHBondContact O-N 3.4Å; T496-L499 PolarHBondContact O-N 2.94Å; L499-R501 PolarHBondContact O-N 2.87Å; L499-R501 VanDerWaalsContact O-N 3.14Å; L499-L502 PolarHBondContact O-N 2.86Å; L499-R508 HydrophobicContact CD2-CB 4.32Å; L499-R508 HydrophobicContact CD2-CG 4.04Å; L499-Q511 HydrophobicContact CD1-CB 3.68Å; L499-L512 HydrophobicContact CB-CD1 4.14Å; L499-L512 HydrophobicContact CB-CD2 3.6Å; L499-L512 HydrophobicContact CB-CG 3.77Å; L499-L512 HydrophobicContact CD1-CD2 4Å; L499-L512 HydrophobicContact CD1-CG 3.85Å; L499-L512 HydrophobicContact CG-CD2 4.46Å; L499-L512 HydrophobicContact CG-CG 4.43Å
500L95.7Very high95.4Very high23 Ų2347.4 Ų47.412%0.1225%0.251CS..Hα-helixtrans-66.7-13.2179.4-71.4170.7000114.1T496 L512 R544 H548T496-L500 WeakPolarHBondContact O-CB 3.47Å; T496-L500 WeakPolarHBondContact O-CG 3.29Å; T496-L500 PolarHBondContact O-N 3.48Å; L500-L512 HydrophobicContact CD2-CD1 4.21Å; L500-L512 HydrophobicContact CD2-CD2 4.32Å; L500-L512 HydrophobicContact CG-CD2 4.11Å; L500-R544 HydrophobicContact CD1-CB 3.87Å; L500-H548 HydrophobicContact CD2-CB 3.75Å
501R95Very high95.5Very high206 Ų20644.2 Ų44.278%0.77724%0.236SC*.THydrogen-bonded Turntrans-85.9-16173.6-70.2170.5-174.7172.93.8112.8N497 H498 L499N497-R501 VanDerWaalsContact O-CG 3.31Å; N497-R501 WeakPolarHBondContact O-CG 3.34Å; H498-R501 PolarHBondContact O-N 3.38Å; L499-R501 PolarHBondContact O-N 2.87Å; L499-R501 VanDerWaalsContact O-N 3.14Å
502L93.5Very high95.5Very high61 Ų6144.3 Ų44.332%0.31924%0.237SC..SBendtrans-92.9156.9-179.7-60.7177.3000110.2L499 H548L499-L502 PolarHBondContact O-N 2.86Å; L502-H548 PolarHBondContact O-CE1 2.96Å
503P93.4Very high95.4Very high81 Ų8147.8 Ų47.853%0.52625%0.253SS..PPolyproline II helixtrans-64.8139.4172.326-32.1000110.2D505 R508P503-D505 PolarHBondContact O-N 2.77Å; P503-R508 WeakPolarHBondContact O-CD 3.25Å; P503-R508 PolarHBondContact O-NH1 2.71Å
504L94.2Very high95.3Very high24 Ų2447.2 Ų47.213%0.12625%0.25CC..PPolyproline II helixtrans-69.4132179.6-167.666.7000111.8R508 E509 L512 L549 H552 R554L504-R508 HydrophobicContact CD1-CB 4.46Å; L504-E509 HydrophobicContact CD1-CB 3.97Å; L504-L512 HydrophobicContact CD1-CD1 4.3Å; L504-L549 HydrophobicContact CD2-CD2 3.78Å; L504-H552 HydrophobicContact CB-CB 4.06Å; L504-H552 WeakPolarHBondContact CB-CD2 3.17Å; L504-H552 HydrophobicContact CD2-CB 3.8Å; L504-H552 PolarHBondContact N-CE1 3.33Å; L504-H552 PolarHBondContact N-NE2 2.73Å; L504-R554 HydrophobicContact CD2-CG 3.92Å
505D93.5Very high95.3Very high59 Ų5945.9 Ų45.932%0.31624%0.241SC..  trans-132.7177.1163.358.732.6000109.4P503 D507 R508 E509P503-D505 PolarHBondContact O-N 2.77Å; D505-D507 VanDerWaalsContact C-N 3.28Å; D505-D507 PolarHBondContact O-N 2.88Å; D505-D507 PolarHBondContact OD1-N 2.85Å; D505-R508 PolarHBondContact O-N 2.84Å; D505-R508 VanDerWaalsContact OD1-CB 3.28Å; D505-R508 WeakPolarHBondContact OD1-CB 3.48Å; D505-R508 WeakPolarHBondContact OD1-CG 3.37Å; D505-R508 PolarHBondContact OD1-N 3.14Å; D505-R508 IonicContact OD2-CZ 3.17Å; D505-R508 IonicContact OD2-NE 3.43Å; D505-R508 PolarHBondContact OD2-NE 3.26Å; D505-R508 IonicContact OD2-NH1 3.11Å; D505-R508 PolarHBondContact OD2-NH1 2.98Å; D505-R508 IonicContact OD2-NH2 3.51Å; D505-E509 WeakPolarHBondContact O-CB 3.4Å; D505-E509 PolarHBondContact O-N 2.93Å
506A92.7Very high95.3Very high63 Ų6346.5 Ų46.552%0.52124%0.244SC..Hα-helixtrans-61.8-35.8-177.100000112.8A510A506-A510 PolarHBondContact O-N 2.88Å; A506-A510 VanDerWaalsContact O-N 3.08Å
507D94.4Very high95.1Very high115 Ų11552.3 Ų52.362%0.61527%0.265SS*.Hα-helixtrans-70.7-45.5179.7-71.4-23.2000111D505 E509 A510 Q511D505-D507 VanDerWaalsContact C-N 3.28Å; D505-D507 PolarHBondContact O-N 2.88Å; D505-D507 PolarHBondContact OD1-N 2.85Å; D507-E509 VanDerWaalsContact C-N 3.32Å; D507-E509 PolarHBondContact O-N 2.83Å; D507-A510 PolarHBondContact O-N 2.87Å; D507-Q511 WeakPolarHBondContact O-CB 3.45Å; D507-Q511 WeakPolarHBondContact O-CG 3.45Å; D507-Q511 PolarHBondContact O-N 3.27Å
508R94.6Very high94.9Very high69 Ų6951.8 Ų51.826%0.2626%0.263SS..Hα-helixtrans-66.5-35177.7-69168.6-174.5128.112.8111.9L499 P503 L504 D505 Q511 L512L499-R508 HydrophobicContact CD2-CB 4.32Å; L499-R508 HydrophobicContact CD2-CG 4.04Å; P503-R508 WeakPolarHBondContact O-CD 3.25Å; P503-R508 PolarHBondContact O-NH1 2.71Å; L504-R508 HydrophobicContact CD1-CB 4.46Å; D505-R508 PolarHBondContact O-N 2.84Å; D505-R508 VanDerWaalsContact OD1-CB 3.28Å; D505-R508 WeakPolarHBondContact OD1-CB 3.48Å; D505-R508 WeakPolarHBondContact OD1-CG 3.37Å; D505-R508 PolarHBondContact OD1-N 3.14Å; D505-R508 IonicContact OD2-CZ 3.17Å; D505-R508 IonicContact OD2-NE 3.43Å; D505-R508 PolarHBondContact OD2-NE 3.26Å; D505-R508 IonicContact OD2-NH1 3.11Å; D505-R508 PolarHBondContact OD2-NH1 2.98Å; D505-R508 IonicContact OD2-NH2 3.51Å; R508-Q511 PolarHBondContact O-N 3.5Å; R508-L512 WeakPolarHBondContact O-CB 3.5Å; R508-L512 WeakPolarHBondContact O-CG 3.47Å; R508-L512 PolarHBondContact O-N 3.36Å
509E94.6Very high94.9Very high10 Ų1050 Ų505%0.04725%0.254CS..Hα-helixtrans-59.1-52.5171.2-173-174.9132.200110.3L504 D505 D507 Q511 L512 E513 L549 R554 K557L504-E509 HydrophobicContact CD1-CB 3.97Å; D505-E509 WeakPolarHBondContact O-CB 3.4Å; D505-E509 PolarHBondContact O-N 2.93Å; D507-E509 VanDerWaalsContact C-N 3.32Å; D507-E509 PolarHBondContact O-N 2.83Å; E509-Q511 VanDerWaalsContact C-N 3.3Å; E509-Q511 PolarHBondContact O-N 3.12Å; E509-L512 PolarHBondContact O-N 3.26Å; E509-E513 WeakPolarHBondContact O-CG 3.16Å; E509-E513 PolarHBondContact O-N 3.26Å; E509-L549 HydrophobicContact CG-CD2 4.22Å; E509-R554 IonicContact OE1-NH2 2.78Å; E509-R554 IonicContact OE2-CZ 3.37Å; E509-R554 VanDerWaalsContact OE2-CZ 3.25Å; E509-R554 IonicContact OE2-NE 3.86Å; E509-R554 PolarHBondContact OE2-NE 3.46Å; E509-R554 IonicContact OE2-NH2 3.1Å; E509-R554 PolarHBondContact OE2-NH2 3.31Å; E509-K557 WeakPolarHBondContact OE1-CD 3.09Å; E509-K557 WeakPolarHBondContact OE1-CE 3.33Å; E509-K557 WeakPolarHBondContact OE1-CG 3.37Å; E509-K557 IonicContact OE1-NZ 3.73Å
510A95.4Very high94.7Very high53 Ų5354.1 Ų54.144%0.43827%0.271SS..Hα-helixtrans-61.7-36.1177.300000112.8A506 D507 A514A506-A510 PolarHBondContact O-N 2.88Å; A506-A510 VanDerWaalsContact O-N 3.08Å; D507-A510 PolarHBondContact O-N 2.87Å; A510-A514 VanDerWaalsContact O-CB 3.31Å; A510-A514 WeakPolarHBondContact O-CB 3.49Å; A510-A514 PolarHBondContact O-N 2.84Å
511Q96.8Very high94.5Very high31 Ų3156.1 Ų56.115%0.14529%0.291CS..Hα-helixtrans-68.5-40.1176.3-72.5166.25.300112.5V469 L473 L499 D507 R508 E509 A514 A515V469-Q511 HydrophobicContact CG1-CB 4.36Å; V469-Q511 HydrophobicContact CG1-CG 4.26Å; L473-Q511 HydrophobicContact CD1-CB 3.75Å; L473-Q511 HydrophobicContact CD1-CG 3.75Å; L499-Q511 HydrophobicContact CD1-CB 3.68Å; D507-Q511 WeakPolarHBondContact O-CB 3.45Å; D507-Q511 WeakPolarHBondContact O-CG 3.45Å; D507-Q511 PolarHBondContact O-N 3.27Å; R508-Q511 PolarHBondContact O-N 3.5Å; E509-Q511 VanDerWaalsContact C-N 3.3Å; E509-Q511 PolarHBondContact O-N 3.12Å; Q511-A514 PolarHBondContact O-N 2.81Å; Q511-A515 PolarHBondContact O-N 2.82Å
512L96.7Very high94.2Very high2 Ų248.3 Ų48.31%0.0127%0.267CS..Hα-helixtrans-65.8-42.6174.4-79.4162.4000111.3T496 L499 L500 L504 R508 E509 A515 L516 L545T496-L512 HydrophobicContact CG2-CD2 4.26Å; L499-L512 HydrophobicContact CB-CD1 4.14Å; L499-L512 HydrophobicContact CB-CD2 3.6Å; L499-L512 HydrophobicContact CB-CG 3.77Å; L499-L512 HydrophobicContact CD1-CD2 4Å; L499-L512 HydrophobicContact CD1-CG 3.85Å; L499-L512 HydrophobicContact CG-CD2 4.46Å; L499-L512 HydrophobicContact CG-CG 4.43Å; L500-L512 HydrophobicContact CD2-CD1 4.21Å; L500-L512 HydrophobicContact CD2-CD2 4.32Å; L500-L512 HydrophobicContact CG-CD2 4.11Å; L504-L512 HydrophobicContact CD1-CD1 4.3Å; R508-L512 WeakPolarHBondContact O-CB 3.5Å; R508-L512 WeakPolarHBondContact O-CG 3.47Å; R508-L512 PolarHBondContact O-N 3.36Å; E509-L512 PolarHBondContact O-N 3.26Å; L512-A515 PolarHBondContact O-N 3.08Å; L512-L516 PolarHBondContact O-N 3.12Å; L512-L516 VanDerWaalsContact O-N 3.16Å; L512-L545 HydrophobicContact CB-CD1 3.93Å; L512-L545 HydrophobicContact CB-CD2 4.26Å; L512-L545 HydrophobicContact CD1-CD1 3.7Å; L512-L545 HydrophobicContact CG-CD1 4.29Å
513E94.7Very high93.7Very high74 Ų7448.9 Ų48.935%0.34628%0.28SS..Hα-helixtrans-60.9-44.9172.9-72.8-179.2179.300110.9E509 A515 L516 R517 K557E509-E513 WeakPolarHBondContact O-CG 3.16Å; E509-E513 PolarHBondContact O-N 3.26Å; E513-A515 PolarHBondContact O-N 2.84Å; E513-L516 PolarHBondContact O-N 2.68Å; E513-R517 VanDerWaalsContact O-CB 3.28Å; E513-R517 WeakPolarHBondContact O-CB 3.41Å; E513-R517 PolarHBondContact O-N 2.92Å; E513-K557 IonicContact OE1-NZ 2.82Å; E513-K557 PolarHBondContact OE1-NZ 2.96Å; E513-K557 IonicContact OE2-NZ 3.71Å; E513-K557 PolarHBondContact OE2-NZ 3.4Å
514A95.3Very high93.2Very high8 Ų846.7 Ų46.77%0.06627%0.269CS..Hα-helixtrans-59.6-45.2176.400000112.7L473 A510 Q511 L516 R517 V518L473-A514 HydrophobicContact CD1-CB 4.21Å; L473-A514 HydrophobicContact CD2-CB 4.4Å; A510-A514 VanDerWaalsContact O-CB 3.31Å; A510-A514 WeakPolarHBondContact O-CB 3.49Å; A510-A514 PolarHBondContact O-N 2.84Å; Q511-A514 PolarHBondContact O-N 2.81Å; A514-L516 PolarHBondContact O-N 3.18Å; A514-R517 VanDerWaalsContact CA-NH2 3.32Å; A514-R517 VanDerWaalsContact CB-NH2 3.26Å; A514-R517 WeakPolarHBondContact O-CB 3.36Å; A514-R517 PolarHBondContact O-N 3.36Å; A514-V518 PolarHBondContact O-N 3.38Å
515A96.9Very high92.9Very high0 Ų051.5 Ų51.50%030%0.301CS..Hα-helixtrans-59.5-45.5178.100000112.4L473 L476 L492 V495 T496 Q511 L512 E513 R517L473-A515 HydrophobicContact CD2-CB 3.81Å; L476-A515 HydrophobicContact CD2-CB 4.38Å; L492-A515 WeakPolarHBondContact CD1-O 3.37Å; V495-A515 HydrophobicContact CG1-CB 4.08Å; T496-A515 HydrophobicContact CG2-CB 3.93Å; Q511-A515 PolarHBondContact O-N 2.82Å; L512-A515 PolarHBondContact O-N 3.08Å; E513-A515 PolarHBondContact O-N 2.84Å; A515-R517 VanDerWaalsContact C-N 3.35Å
516L96.2Very high92.8Very high12 Ų1249.6 Ų49.66%0.06329%0.291CS..Hα-helixtrans-71.4-31.5179.3-67.8176000112.2L492 T496 L512 E513 A514 V518 F519 Y520 V538 A542 L545L492-L516 HydrophobicContact CD2-CD2 4.48Å; T496-L516 HydrophobicContact CG2-CD2 4.36Å; L512-L516 PolarHBondContact O-N 3.12Å; L512-L516 VanDerWaalsContact O-N 3.16Å; E513-L516 PolarHBondContact O-N 2.68Å; A514-L516 PolarHBondContact O-N 3.18Å; L516-V518 PolarHBondContact O-N 3.33Å; L516-F519 PolarHBondContact O-N 3.37Å; L516-F519 VanDerWaalsContact O-N 3.12Å; L516-Y520 HydrophobicContact CB-CD2 4.2Å; L516-Y520 WeakPolarHBondContact O-CD2 3.24Å; L516-Y520 PolarHBondContact O-N 2.93Å; L516-Y520 VanDerWaalsContact O-N 3.09Å; L516-V538 HydrophobicContact CD2-CG1 4.21Å; L516-A542 HydrophobicContact CD1-CB 4.11Å; L516-L545 HydrophobicContact CD1-CB 4.46Å; L516-L545 HydrophobicContact CD1-CD2 3.6Å
517R94.1Very high92.7Very high125 Ų12549 Ų4947%0.47228%0.282SS..Hα-helixtrans-59.5-32.9178.7-168.7175.76.7106.7-1.4112.4E477 E513 A514 A515 F519 Y520 A521E477-R517 IonicContact OE1-NH1 2.73Å; E513-R517 VanDerWaalsContact O-CB 3.28Å; E513-R517 WeakPolarHBondContact O-CB 3.41Å; E513-R517 PolarHBondContact O-N 2.92Å; A514-R517 VanDerWaalsContact CA-NH2 3.32Å; A514-R517 VanDerWaalsContact CB-NH2 3.26Å; A514-R517 WeakPolarHBondContact O-CB 3.36Å; A514-R517 PolarHBondContact O-N 3.36Å; A515-R517 VanDerWaalsContact C-N 3.35Å; R517-F519 PolarHBondContact O-N 2.86Å; R517-F519 VanDerWaalsContact O-N 3.11Å; R517-Y520 PolarHBondContact O-N 2.79Å; R517-A521 HydrophobicContact CG-CB 3.94Å; R517-A521 CarbonylContact O-C 3.59Å; R517-A521 WeakPolarHBondContact O-CA 3.34Å; R517-A521 PolarHBondContact O-N 2.82Å
518V93.4Very high92.7Very high19 Ų1949.6 Ų49.612%0.11529%0.285CS..Hα-helixtrans-54.7-31.9177.3-173.70000112L476 E477 A514 L516L476-V518 HydrophobicContact CD2-CG2 4.36Å; L476-V518 HydrophobicContact CG-CG2 4.21Å; E477-V518 HydrophobicContact CG-CG2 3.9Å; A514-V518 PolarHBondContact O-N 3.38Å; L516-V518 PolarHBondContact O-N 3.33Å
519F94.9Very high92.7Very high13 Ų1350.9 Ų50.96%0.05730%0.301CS..Hα-helixtrans-96.8-43.7176.9-175.4-95.1000113.4W481 L492 L516 R517 L526 R535 V538W481-F519 HydrophobicContact CD2-CD2 4.35Å; W481-F519 HydrophobicContact CE3-CD2 4.1Å; W481-F519 HydrophobicContact CE3-CE2 4.43Å; W481-F519 AromaticContact CH2-CD2 3.8Å; W481-F519 HydrophobicContact CH2-CD2 3.8Å; W481-F519 HydrophobicContact CH2-CE2 4.5Å; W481-F519 HydrophobicContact CZ2-CB 4.25Å; W481-F519 HydrophobicContact CZ2-CD2 4.06Å; W481-F519 AromaticContact CZ3-CD2 3.83Å; W481-F519 HydrophobicContact CZ3-CD2 3.83Å; W481-F519 HydrophobicContact CZ3-CE2 4.16Å; L492-F519 HydrophobicContact CD1-CB 4.25Å; L516-F519 PolarHBondContact O-N 3.37Å; L516-F519 VanDerWaalsContact O-N 3.12Å; R517-F519 PolarHBondContact O-N 2.86Å; R517-F519 VanDerWaalsContact O-N 3.11Å; F519-L526 HydrophobicContact CD2-CD1 3.71Å; F519-L526 HydrophobicContact CE2-CD1 3.91Å; F519-L526 HydrophobicContact CG-CD1 4.35Å; F519-R535 HydrophobicContact CE1-CB 4.29Å; F519-R535 HydrophobicContact CZ-CB 4.25Å; F519-V538 HydrophobicContact CB-CG1 4.16Å; F519-V538 HydrophobicContact CD1-CB 4.02Å; F519-V538 HydrophobicContact CD1-CG1 3.76Å; F519-V538 HydrophobicContact CD1-CG2 4.17Å; F519-V538 HydrophobicContact CD2-CG2 4.21Å; F519-V538 HydrophobicContact CE1-CB 4.26Å; F519-V538 HydrophobicContact CE1-CG1 4.44Å; F519-V538 HydrophobicContact CE1-CG2 4.44Å; F519-V538 HydrophobicContact CE2-CG2 4.48Å; F519-V538 HydrophobicContact CG-CB 4.37Å; F519-V538 HydrophobicContact CG-CG1 4.06Å; F519-V538 HydrophobicContact CG-CG2 4.05Å
520Y93.2Very high92.6Very high88 Ų8851.3 Ų51.335%0.34530%0.303SS..Hα-helixtrans-82.2-28.3-173-74.4-68.7000114.8L516 R517 V538 T539 A542L516-Y520 HydrophobicContact CB-CD2 4.2Å; L516-Y520 WeakPolarHBondContact O-CD2 3.24Å; L516-Y520 PolarHBondContact O-N 2.93Å; L516-Y520 VanDerWaalsContact O-N 3.09Å; R517-Y520 PolarHBondContact O-N 2.79Å; Y520-V538 HydrophobicContact CD2-CG1 4.4Å; Y520-V538 HydrophobicContact CE2-CG1 3.68Å; Y520-T539 WeakPolarHBondContact OH-CA 3.43Å; Y520-T539 PolarHBondContact OH-N 2.98Å; Y520-T539 PolarHBondContact OH-OG1 2.75Å; Y520-A542 HydrophobicContact CE2-CB 4.22Å
521A91.4Very high92.6Very high65 Ų6551.7 Ų51.754%0.53730%0.297SS..SBendtrans-138.265.9176.800000109.5R517R517-A521 HydrophobicContact CG-CB 3.94Å; R517-A521 CarbonylContact O-C 3.59Å; R517-A521 WeakPolarHBondContact O-CA 3.34Å; R517-A521 PolarHBondContact O-N 2.82Å
522P89Confident92.5Very high43 Ų4357.2 Ų57.228%0.27933%0.327SS..  trans-69.2151.3-179.336.2-41.3000110.1A524 L526P522-A524 VanDerWaalsContact C-N 3.31Å; P522-A524 VanDerWaalsContact CB-O 3.23Å; P522-A524 WeakPolarHBondContact CB-O 3.14Å; P522-A524 VanDerWaalsContact CG-O 3.27Å; P522-A524 WeakPolarHBondContact CG-O 3.43Å; P522-A524 PolarHBondContact O-N 3.43Å; P522-L526 HydrophobicContact CB-CD2 4.38Å; P522-L526 HydrophobicContact CB-CG 4.14Å; P522-L526 HydrophobicContact CG-CD1 4.43Å; P522-L526 HydrophobicContact CG-CG 3.93Å
523A81.7Confident92.5Very high73 Ų7362.9 Ų62.960%0.60335%0.354SS*.SBendtrans-68.1-32.6178.500000113R341R341-A523 HydrophobicContact CB-CB 4.32Å; R341-A523 HydrophobicContact CG-CB 3.58Å
524A83.6Confident92.5Very high35 Ų3560 Ų6029%0.28934%0.339SS..SBendtrans-112.9139.5168.700000108.9P522 L526P522-A524 VanDerWaalsContact C-N 3.31Å; P522-A524 VanDerWaalsContact CB-O 3.23Å; P522-A524 WeakPolarHBondContact CB-O 3.14Å; P522-A524 VanDerWaalsContact CG-O 3.27Å; P522-A524 WeakPolarHBondContact CG-O 3.43Å; P522-A524 PolarHBondContact O-N 3.43Å; A524-L526 PolarHBondContact O-N 2.88Å
525P87.4Confident92.5Very high124 Ų12466.9 Ų66.981%0.80536%0.364SS*.PPolyproline II helixtrans-59.7132.9-179.125-33.3000110.8
526L90.9Very high92.4Very high19 Ų1972.9 Ų72.910%0.09939%0.392CS..PPolyproline II helixtrans-73.2146.3176.9-66.2177.9000110.7W481 F519 P522 A524 I531W481-L526 HydrophobicContact CB-CD2 3.37Å; W481-L526 HydrophobicContact CG-CD2 3.9Å; F519-L526 HydrophobicContact CD2-CD1 3.71Å; F519-L526 HydrophobicContact CE2-CD1 3.91Å; F519-L526 HydrophobicContact CG-CD1 4.35Å; P522-L526 HydrophobicContact CB-CD2 4.38Å; P522-L526 HydrophobicContact CB-CG 4.14Å; P522-L526 HydrophobicContact CG-CD1 4.43Å; P522-L526 HydrophobicContact CG-CG 3.93Å; A524-L526 PolarHBondContact O-N 2.88Å; L526-I531 HydrophobicContact CB-CD1 4.13Å; L526-I531 HydrophobicContact CB-CG1 3.87Å
527P92.1Very high92.4Very high51 Ų5173.9 Ų73.933%0.33140%0.399SS..PPolyproline II helixtrans-61.1143.7170.8-1930.6000111.7T529 I530 I531P527-T529 PolarHBondContact O-N 3.39Å; P527-T529 VanDerWaalsContact O-N 3.13Å; P527-I530 HydrophobicContact CB-CG1 4.12Å; P527-I530 HydrophobicContact CG-CG1 4.08Å; P527-I530 PolarHBondContact O-N 2.98Å; P527-I531 PolarHBondContact O-N 3.45Å; P527-I531 VanDerWaalsContact O-N 3.15Å
528D93.3Very high92.6Very high127 Ų12768 Ų6868%0.67938%0.377SS*.Hα-helixtrans-56.7-32.8-179.5-69.8-28.1000112.8I530 I531 L532D528-I530 PolarHBondContact O-N 3.38Å; D528-I531 PolarHBondContact O-N 2.86Å; D528-L532 WeakPolarHBondContact O-CB 3.34Å; D528-L532 VanDerWaalsContact O-CG 3.27Å; D528-L532 WeakPolarHBondContact O-CG 3.1Å; D528-L532 PolarHBondContact O-N 3.14Å
529T94.3Very high92.7Very high97 Ų9768.4 Ų68.460%0.59538%0.38SS*.Hα-helixtrans-59.7-46.2176.650.60000111.8P527 L532 E533P527-T529 PolarHBondContact O-N 3.39Å; P527-T529 VanDerWaalsContact O-N 3.13Å; T529-L532 PolarHBondContact O-N 3.41Å; T529-E533 PolarHBondContact O-N 2.92Å; T529-E533 VanDerWaalsContact O-N 3.14Å
530I94.1Very high92.8Very high18 Ų1873.1 Ų73.19%0.09240%0.4CS..Hα-helixtrans-68.6-40.1179.9-52.2-59.8000110.4W481 A485 P527 D528 E533 Y534W481-I530 HydrophobicContact CB-CG2 4.44Å; W481-I530 HydrophobicContact CE3-CG2 3.79Å; A485-I530 HydrophobicContact CB-CD1 3.83Å; A485-I530 HydrophobicContact CB-CG2 4.32Å; P527-I530 HydrophobicContact CB-CG1 4.12Å; P527-I530 HydrophobicContact CG-CG1 4.08Å; P527-I530 PolarHBondContact O-N 2.98Å; D528-I530 PolarHBondContact O-N 3.38Å; I530-E533 PolarHBondContact O-N 3.5Å; I530-Y534 HydrophobicContact CG2-CD2 3.9Å; I530-Y534 HydrophobicContact CG2-CE2 4.49Å; I530-Y534 WeakPolarHBondContact O-CB 3.45Å; I530-Y534 WeakPolarHBondContact O-CD2 3.37Å; I530-Y534 PolarHBondContact O-N 3.13Å
531I94.6Very high92.9Very high61 Ų6170.1 Ų70.131%0.31339%0.388SS..Hα-helixtrans-61.3-48.6176.3-63.1172.4000110.1L526 P527 D528 E533 R535L526-I531 HydrophobicContact CB-CD1 4.13Å; L526-I531 HydrophobicContact CB-CG1 3.87Å; P527-I531 PolarHBondContact O-N 3.45Å; P527-I531 VanDerWaalsContact O-N 3.15Å; D528-I531 PolarHBondContact O-N 2.86Å; I531-E533 VanDerWaalsContact C-N 3.32Å; I531-E533 PolarHBondContact O-N 3.04Å; I531-R535 HydrophobicContact CG2-CB 4.48Å; I531-R535 WeakPolarHBondContact O-CB 3.23Å; I531-R535 PolarHBondContact O-N 3.19Å
532L94.8Very high93.2Very high148 Ų14867 Ų6778%0.77536%0.363SS*.Hα-helixtrans-60.6-40.7-178.6-74.5168.7000112.6D528 T529D528-L532 WeakPolarHBondContact O-CB 3.34Å; D528-L532 VanDerWaalsContact O-CG 3.27Å; D528-L532 WeakPolarHBondContact O-CG 3.1Å; D528-L532 PolarHBondContact O-N 3.14Å; T529-L532 PolarHBondContact O-N 3.41Å
533E95.9Very high93.6Very high120 Ų12069.2 Ų69.256%0.56137%0.366SS*.Hα-helixtrans-74.4-46.1-177.9-175.3170.4-16400112.8T529 I530 I531 P537T529-E533 PolarHBondContact O-N 2.92Å; T529-E533 VanDerWaalsContact O-N 3.14Å; I530-E533 PolarHBondContact O-N 3.5Å; I531-E533 VanDerWaalsContact C-N 3.32Å; I531-E533 PolarHBondContact O-N 3.04Å; E533-P537 WeakPolarHBondContact O-CD 2.95Å
534Y96Very high94.3Very high13 Ų1370.6 Ų70.65%0.05136%0.355CS..Hα-helixtrans-99-11-169.2-68.9-84.5000114.8W481 A485 D486 Y489 I530 E536 P537 V538W481-Y534 HydrophobicContact CZ3-CD1 4.15Å; W481-Y534 HydrophobicContact CZ3-CD2 4.35Å; W481-Y534 AromaticContact CZ3-CG 3.93Å; W481-Y534 HydrophobicContact CZ3-CG 3.93Å; A485-Y534 HydrophobicContact CB-CD2 4.45Å; A485-Y534 HydrophobicContact CB-CE2 3.68Å; D486-Y534 WeakPolarHBondContact CA-OH 3.46Å; D486-Y534 PolarHBondContact N-OH 2.95Å; D486-Y534 PolarHBondContact OD1-OH 3.22Å; Y489-Y534 HydrophobicContact CD1-CD1 4.38Å; Y489-Y534 HydrophobicContact CD1-CE1 4.16Å; Y489-Y534 AromaticContact CD2-CD1 3.82Å; Y489-Y534 HydrophobicContact CD2-CD1 3.82Å; Y489-Y534 HydrophobicContact CD2-CE1 4.37Å; Y489-Y534 AromaticContact CG-CD1 3.67Å; Y489-Y534 HydrophobicContact CG-CD1 3.67Å; Y489-Y534 AromaticContact CG-CE1 3.75Å; Y489-Y534 HydrophobicContact CG-CE1 3.75Å; I530-Y534 HydrophobicContact CG2-CD2 3.9Å; I530-Y534 HydrophobicContact CG2-CE2 4.49Å; I530-Y534 WeakPolarHBondContact O-CB 3.45Å; I530-Y534 WeakPolarHBondContact O-CD2 3.37Å; I530-Y534 PolarHBondContact O-N 3.13Å; Y534-E536 PolarHBondContact O-N 2.89Å; Y534-P537 VanDerWaalsContact O-CD 3.31Å; Y534-P537 WeakPolarHBondContact O-CD 3.42Å; Y534-V538 WeakPolarHBondContact O-CB 3.44Å; Y534-V538 VanDerWaalsContact O-CG2 3.25Å; Y534-V538 WeakPolarHBondContact O-CG2 3.41Å; Y534-V538 PolarHBondContact O-N 3.38Å
535R95.4Very high94.9Very high153 Ų15369.2 Ų69.258%0.57734%0.343SS*.Hα-helixtrans-59-46.1-178.2178.5176.5-163-92.1-1113F519 I531 T539F519-R535 HydrophobicContact CE1-CB 4.29Å; F519-R535 HydrophobicContact CZ-CB 4.25Å; I531-R535 HydrophobicContact CG2-CB 4.48Å; I531-R535 WeakPolarHBondContact O-CB 3.23Å; I531-R535 PolarHBondContact O-N 3.19Å; R535-T539 VanDerWaalsContact O-CB 3.23Å; R535-T539 WeakPolarHBondContact O-CB 3.37Å; R535-T539 PolarHBondContact O-N 3.26Å; R535-T539 PolarHBondContact O-OG1 3.23Å
536E95.1Very high95.3Very high126 Ų12663.3 Ų63.359%0.58931%0.305SS*.Hα-helixtrans-67.3-49.5179.6-170.9-155.1142.300111.8Y534 V538 T539 K540Y534-E536 PolarHBondContact O-N 2.89Å; E536-V538 VanDerWaalsContact C-N 3.35Å; E536-V538 PolarHBondContact O-N 2.64Å; E536-T539 PolarHBondContact O-N 2.93Å; E536-K540 PolarHBondContact O-N 3.36Å; E536-K540 VanDerWaalsContact OE1-CE 3.24Å; E536-K540 WeakPolarHBondContact OE1-CE 3.27Å; E536-K540 IonicContact OE1-NZ 3.79Å; E536-K540 PolarHBondContact OE1-NZ 3.38Å
537P96.3Very high95.6Very high34 Ų3465.7 Ų65.722%0.22132%0.315CS..Hα-helixtrans-53.8-44.4172.9-26.832.5000114.4Y489 E533 Y534 K540 Y541Y489-P537 HydrophobicContact CD2-CB 4.43Å; Y489-P537 HydrophobicContact CE2-CB 3.52Å; Y489-P537 WeakPolarHBondContact OH-CB 3.35Å; E533-P537 WeakPolarHBondContact O-CD 2.95Å; Y534-P537 VanDerWaalsContact O-CD 3.31Å; Y534-P537 WeakPolarHBondContact O-CD 3.42Å; P537-K540 WeakPolarHBondContact O-CB 3.43Å; P537-K540 PolarHBondContact O-N 3.3Å; P537-Y541 WeakPolarHBondContact O-CD2 3.2Å
538V96.5Very high95.7Very high0 Ų063.9 Ų63.90%030%0.302CS..Hα-helixtrans-70.1-38179.9176.50000111.3W481 Y489 L492 L516 F519 Y520 Y534 E536 K540 Y541 A542W481-V538 HydrophobicContact CH2-CG2 4.43Å; Y489-V538 HydrophobicContact CD2-CG2 4.07Å; Y489-V538 HydrophobicContact CE2-CG2 4.23Å; L492-V538 HydrophobicContact CD1-CG1 4.37Å; L492-V538 HydrophobicContact CD1-CG2 4.47Å; L516-V538 HydrophobicContact CD2-CG1 4.21Å; F519-V538 HydrophobicContact CB-CG1 4.16Å; F519-V538 HydrophobicContact CD1-CB 4.02Å; F519-V538 HydrophobicContact CD1-CG1 3.76Å; F519-V538 HydrophobicContact CD1-CG2 4.17Å; F519-V538 HydrophobicContact CD2-CG2 4.21Å; F519-V538 HydrophobicContact CE1-CB 4.26Å; F519-V538 HydrophobicContact CE1-CG1 4.44Å; F519-V538 HydrophobicContact CE1-CG2 4.44Å; F519-V538 HydrophobicContact CE2-CG2 4.48Å; F519-V538 HydrophobicContact CG-CB 4.37Å; F519-V538 HydrophobicContact CG-CG1 4.06Å; F519-V538 HydrophobicContact CG-CG2 4.05Å; Y520-V538 HydrophobicContact CD2-CG1 4.4Å; Y520-V538 HydrophobicContact CE2-CG1 3.68Å; Y534-V538 WeakPolarHBondContact O-CB 3.44Å; Y534-V538 VanDerWaalsContact O-CG2 3.25Å; Y534-V538 WeakPolarHBondContact O-CG2 3.41Å; Y534-V538 PolarHBondContact O-N 3.38Å; E536-V538 VanDerWaalsContact C-N 3.35Å; E536-V538 PolarHBondContact O-N 2.64Å; V538-K540 PolarHBondContact O-N 3.39Å; V538-Y541 WeakPolarHBondContact O-CA 3.23Å; V538-Y541 WeakPolarHBondContact O-CB 3.35Å; V538-Y541 PolarHBondContact O-N 3.09Å; V538-A542 PolarHBondContact O-N 3.06Å; V538-A542 VanDerWaalsContact O-N 3.15Å
539T96.1Very high95.9Very high28 Ų2858 Ų5817%0.17227%0.271CS..Hα-helixtrans-60.4-30.9176.2-60.70000112.4Y520 R535 E536 Y541 A542 R543 L565Y520-T539 WeakPolarHBondContact OH-CA 3.43Å; Y520-T539 PolarHBondContact OH-N 2.98Å; Y520-T539 PolarHBondContact OH-OG1 2.75Å; R535-T539 VanDerWaalsContact O-CB 3.23Å; R535-T539 WeakPolarHBondContact O-CB 3.37Å; R535-T539 PolarHBondContact O-N 3.26Å; R535-T539 PolarHBondContact O-OG1 3.23Å; E536-T539 PolarHBondContact O-N 2.93Å; T539-Y541 VanDerWaalsContact C-N 3.27Å; T539-Y541 PolarHBondContact O-N 3.37Å; T539-A542 PolarHBondContact O-N 2.97Å; T539-R543 HydrophobicContact CG2-CG 4.39Å; T539-R543 WeakPolarHBondContact O-CB 3.35Å; T539-R543 WeakPolarHBondContact O-CG 3.28Å; T539-R543 PolarHBondContact O-N 3.15Å; T539-L565 HydrophobicContact CG2-CD2 4.28Å
540K96.4Very high95.9Very high112 Ų11254 Ų5449%0.48725%0.245SC..Hα-helixtrans-61.6-35.9173.1-68.9169.7-176162.60111.8E536 P537 V538 R544E536-K540 PolarHBondContact O-N 3.36Å; E536-K540 VanDerWaalsContact OE1-CE 3.24Å; E536-K540 WeakPolarHBondContact OE1-CE 3.27Å; E536-K540 IonicContact OE1-NZ 3.79Å; E536-K540 PolarHBondContact OE1-NZ 3.38Å; P537-K540 WeakPolarHBondContact O-CB 3.43Å; P537-K540 PolarHBondContact O-N 3.3Å; V538-K540 PolarHBondContact O-N 3.39Å; K540-R544 VanDerWaalsContact O-CG 3.29Å; K540-R544 WeakPolarHBondContact O-CG 3.48Å; K540-R544 PolarHBondContact O-N 2.95Å
541Y96.9Very high95.8Very high25 Ų2562.5 Ų62.510%0.09828%0.276CS..Hα-helixtrans-73-40.9175-69.9-78.9000112.5Y489 L492 S493 T496 N497 P537 V538 T539 R543 R544 L545Y489-Y541 HydrophobicContact CE2-CE2 4.11Å; L492-Y541 HydrophobicContact CD2-CD2 4.24Å; S493-Y541 WeakPolarHBondContact CB-OH 3.32Å; S493-Y541 PolarHBondContact OG-OH 3.47Å; T496-Y541 WeakPolarHBondContact OG1-CD1 3.2Å; T496-Y541 WeakPolarHBondContact OG1-CE1 3.3Å; N497-Y541 PolarHBondContact ND2-OH 2.9Å; P537-Y541 WeakPolarHBondContact O-CD2 3.2Å; V538-Y541 WeakPolarHBondContact O-CA 3.23Å; V538-Y541 WeakPolarHBondContact O-CB 3.35Å; V538-Y541 PolarHBondContact O-N 3.09Å; T539-Y541 VanDerWaalsContact C-N 3.27Å; T539-Y541 PolarHBondContact O-N 3.37Å; Y541-R543 VanDerWaalsContact C-N 3.32Å; Y541-R543 PolarHBondContact O-N 2.74Å; Y541-R544 WeakPolarHBondContact O-CB 3.37Å; Y541-R544 PolarHBondContact O-N 3.26Å; Y541-R544 VanDerWaalsContact O-N 3.09Å; Y541-L545 PolarHBondContact O-N 3.44Å
542A96.6Very high95.8Very high0 Ų063.2 Ų63.20%028%0.278CS..Hα-helixtrans-59.4-43.1173.500000111.6L516 Y520 V538 T539 R544 L545 F546 L565L516-A542 HydrophobicContact CD1-CB 4.11Å; Y520-A542 HydrophobicContact CE2-CB 4.22Å; V538-A542 PolarHBondContact O-N 3.06Å; V538-A542 VanDerWaalsContact O-N 3.15Å; T539-A542 PolarHBondContact O-N 2.97Å; A542-R544 VanDerWaalsContact C-N 3.34Å; A542-R544 PolarHBondContact O-N 3.06Å; A542-L545 WeakPolarHBondContact O-CB 3.38Å; A542-L545 PolarHBondContact O-N 3.25Å; A542-F546 PolarHBondContact O-N 3.42Å; A542-L565 HydrophobicContact CB-CD1 3.97Å; A542-L565 HydrophobicContact CB-CD2 3.96Å
543R96.8Very high95.7Very high90 Ų9061.6 Ų61.634%0.3427%0.267SS..Hα-helixtrans-61.5-38.7172.6-74.3177.5163.7-127.5-14.6112.5T539 Y541 F546 H547 L565 D569 L570T539-R543 HydrophobicContact CG2-CG 4.39Å; T539-R543 WeakPolarHBondContact O-CB 3.35Å; T539-R543 WeakPolarHBondContact O-CG 3.28Å; T539-R543 PolarHBondContact O-N 3.15Å; Y541-R543 VanDerWaalsContact C-N 3.32Å; Y541-R543 PolarHBondContact O-N 2.74Å; R543-F546 WeakPolarHBondContact O-CB 3.15Å; R543-F546 PolarHBondContact O-N 3.24Å; R543-H547 PolarHBondContact O-N 2.91Å; R543-H547 PolarHBondContact O-ND1 2.86Å; R543-L565 HydrophobicContact CG-CD1 4.35Å; R543-D569 IonicContact CZ-OD2 3.22Å; R543-D569 VanDerWaalsContact CZ-OD2 3.26Å; R543-D569 IonicContact NH1-OD2 2.82Å; R543-D569 PolarHBondContact NH1-OD2 3.06Å; R543-D569 IonicContact NH2-OD1 3.12Å; R543-D569 PolarHBondContact NH2-OD1 2.97Å; R543-D569 VanDerWaalsContact NH2-OD1 3.12Å; R543-D569 IonicContact NH2-OD2 2.82Å; R543-D569 PolarHBondContact NH2-OD2 3.21Å; R543-L570 HydrophobicContact CG-CD1 4.32Å; R543-L570 HydrophobicContact CG-CD2 4.44Å
544R96.6Very high95.6Very high102 Ų10261.1 Ų61.139%0.38526%0.26SS..Hα-helixtrans-66.9-39.5175.6-74.317163.3-165.8-3.3112.2N497 L500 K540 Y541 A542 F546 H547 H548N497-R544 VanDerWaalsContact OD1-CZ 3.27Å; N497-R544 PolarHBondContact OD1-NH1 3.12Å; N497-R544 PolarHBondContact OD1-NH2 3.28Å; L500-R544 HydrophobicContact CD1-CB 3.87Å; K540-R544 VanDerWaalsContact O-CG 3.29Å; K540-R544 WeakPolarHBondContact O-CG 3.48Å; K540-R544 PolarHBondContact O-N 2.95Å; Y541-R544 WeakPolarHBondContact O-CB 3.37Å; Y541-R544 PolarHBondContact O-N 3.26Å; Y541-R544 VanDerWaalsContact O-N 3.09Å; A542-R544 VanDerWaalsContact C-N 3.34Å; A542-R544 PolarHBondContact O-N 3.06Å; R544-F546 VanDerWaalsContact C-N 3.35Å; R544-H547 PolarHBondContact O-N 2.88Å; R544-H548 WeakPolarHBondContact O-CB 3.3Å; R544-H548 PolarHBondContact O-N 3.11Å
545L96.3Very high95.5Very high6 Ų661.2 Ų61.23%0.03126%0.261CS..Hα-helixtrans-59.4-45.9172.4172.761.9000110.9L512 L516 Y541 A542 H547 H548 L549 L561L512-L545 HydrophobicContact CB-CD1 3.93Å; L512-L545 HydrophobicContact CB-CD2 4.26Å; L512-L545 HydrophobicContact CD1-CD1 3.7Å; L512-L545 HydrophobicContact CG-CD1 4.29Å; L516-L545 HydrophobicContact CD1-CB 4.46Å; L516-L545 HydrophobicContact CD1-CD2 3.6Å; Y541-L545 PolarHBondContact O-N 3.44Å; A542-L545 WeakPolarHBondContact O-CB 3.38Å; A542-L545 PolarHBondContact O-N 3.25Å; L545-H547 PolarHBondContact O-N 3.47Å; L545-H548 CarbonylContact O-C 3.16Å; L545-H548 WeakPolarHBondContact O-CA 3.48Å; L545-H548 WeakPolarHBondContact O-CB 3.13Å; L545-H548 PolarHBondContact O-N 3.49Å; L545-L549 HydrophobicContact CD1-CD1 4.33Å; L545-L549 HydrophobicContact CD1-CG 4.12Å; L545-L549 HydrophobicContact CG-CD1 4.11Å; L545-L549 HydrophobicContact CG-CG 4.38Å; L545-L549 WeakPolarHBondContact O-CG 3.42Å; L545-L549 PolarHBondContact O-N 3.1Å; L545-L561 HydrophobicContact CB-CD2 4.24Å; L545-L561 HydrophobicContact CD2-CD2 3.99Å; L545-L561 HydrophobicContact CG-CD2 3.93Å
546F97.1Very high95.4Very high0 Ų061.4 Ų61.40%027%0.268CS..Hα-helixtrans-52-51.6175.8172.6-91.3000112.2A542 R543 R544 H548 L549 L550 A558 L561 A562 L570 D573 L574A542-F546 PolarHBondContact O-N 3.42Å; R543-F546 WeakPolarHBondContact O-CB 3.15Å; R543-F546 PolarHBondContact O-N 3.24Å; R544-F546 VanDerWaalsContact C-N 3.35Å; F546-H548 VanDerWaalsContact C-N 3.28Å; F546-H548 PolarHBondContact O-N 2.88Å; F546-L549 WeakPolarHBondContact O-CB 3.23Å; F546-L549 PolarHBondContact O-N 3.09Å; F546-L550 HydrophobicContact CD1-CD1 4.15Å; F546-L550 HydrophobicContact CD1-CG 4.45Å; F546-L550 HydrophobicContact CE1-CD1 3.4Å; F546-L550 VanDerWaalsContact CE1-CD1 3.4Å; F546-L550 HydrophobicContact CE1-CG 4Å; F546-L550 HydrophobicContact CZ-CD1 3.73Å; F546-L550 HydrophobicContact CZ-CD2 4.22Å; F546-L550 HydrophobicContact CZ-CG 4.08Å; F546-L550 PolarHBondContact O-N 3.3Å; F546-A558 HydrophobicContact CD2-CB 3.94Å; F546-A558 VanDerWaalsContact CD2-O 3.3Å; F546-A558 WeakPolarHBondContact CD2-O 3.34Å; F546-A558 HydrophobicContact CE2-CB 3.81Å; F546-A558 VanDerWaalsContact CE2-O 3.25Å; F546-A558 WeakPolarHBondContact CE2-O 3.41Å; F546-L561 HydrophobicContact CB-CD2 3.88Å; F546-A562 HydrophobicContact CD2-CB 4.37Å; F546-A562 HydrophobicContact CE2-CB 3.96Å; F546-L570 HydrophobicContact CD1-CB 4.32Å; F546-L570 HydrophobicContact CD1-CD1 4.48Å; F546-L570 HydrophobicContact CD1-CD2 3.71Å; F546-L570 HydrophobicContact CD1-CG 4.38Å; F546-L570 HydrophobicContact CD2-CB 4.37Å; F546-L570 HydrophobicContact CD2-CD1 4.38Å; F546-L570 HydrophobicContact CE1-CB 3.94Å; F546-L570 HydrophobicContact CE1-CD2 3.91Å; F546-L570 HydrophobicContact CE1-CG 4.43Å; F546-L570 HydrophobicContact CE2-CB 4.03Å; F546-L570 HydrophobicContact CG-CD1 4.21Å; F546-L570 HydrophobicContact CG-CD2 4.26Å; F546-L570 HydrophobicContact CZ-CB 3.81Å; F546-L570 WeakPolarHBondContact CZ-O 3.48Å; F546-D573 HydrophobicContact CE1-CB 4.19Å; F546-L574 HydrophobicContact CZ-CB 4.06Å
547H95.9Very high95.2Very high69 Ų6958.8 Ų58.832%0.31926%0.255SS..Hα-helixtrans-66.4-31.8178.4-6795.5000112.8R543 R544 L545 L550 R551 D573R543-H547 PolarHBondContact O-N 2.91Å; R543-H547 PolarHBondContact O-ND1 2.86Å; R544-H547 PolarHBondContact O-N 2.88Å; L545-H547 PolarHBondContact O-N 3.47Å; H547-L550 PolarHBondContact O-N 3.16Å; H547-R551 WeakPolarHBondContact O-CG 3.35Å; H547-R551 PolarHBondContact O-N 2.89Å; H547-R551 VanDerWaalsContact O-N 3.15Å; H547-D573 IonicContact NE2-OD2 2.8Å
548H95.5Very high95.2Very high12 Ų1257.1 Ų57.16%0.05624%0.244CC..Hα-helixtrans-66.4-41.6174.7-167.973.7000111.2L500 L502 R544 L545 F546 L550 R551 H552L500-H548 HydrophobicContact CD2-CB 3.75Å; L502-H548 PolarHBondContact O-CE1 2.96Å; R544-H548 WeakPolarHBondContact O-CB 3.3Å; R544-H548 PolarHBondContact O-N 3.11Å; L545-H548 CarbonylContact O-C 3.16Å; L545-H548 WeakPolarHBondContact O-CA 3.48Å; L545-H548 WeakPolarHBondContact O-CB 3.13Å; L545-H548 PolarHBondContact O-N 3.49Å; F546-H548 VanDerWaalsContact C-N 3.28Å; F546-H548 PolarHBondContact O-N 2.88Å; H548-L550 PolarHBondContact O-N 3.48Å; H548-R551 PolarHBondContact O-N 3.05Å; H548-H552 AromaticContact CE1-CD2 3.92Å; H548-H552 AromaticContact CE1-NE2 3.69Å; H548-H552 AromaticContact NE2-CD2 3.92Å; H548-H552 AromaticContact NE2-NE2 3.93Å; H548-H552 PolarHBondContact O-CD2 3.43Å; H548-H552 VanDerWaalsContact O-CD2 3.3Å; H548-H552 PolarHBondContact O-N 3.05Å
549L95.9Very high95.1Very high4 Ų458.6 Ų58.62%0.02125%0.25CS..Hα-helixtrans-60.4-43.2173.2-67.7167000112.1L504 E509 L545 F546 R551 H552 Q553 R554 K557 A558 L561L504-L549 HydrophobicContact CD2-CD2 3.78Å; E509-L549 HydrophobicContact CG-CD2 4.22Å; L545-L549 HydrophobicContact CD1-CD1 4.33Å; L545-L549 HydrophobicContact CD1-CG 4.12Å; L545-L549 HydrophobicContact CG-CD1 4.11Å; L545-L549 HydrophobicContact CG-CG 4.38Å; L545-L549 WeakPolarHBondContact O-CG 3.42Å; L545-L549 PolarHBondContact O-N 3.1Å; F546-L549 WeakPolarHBondContact O-CB 3.23Å; F546-L549 PolarHBondContact O-N 3.09Å; L549-R551 PolarHBondContact O-N 3.06Å; L549-H552 CarbonylContact O-C 3.56Å; L549-H552 PolarHBondContact O-N 2.8Å; L549-Q553 PolarHBondContact O-N 3.17Å; L549-Q553 VanDerWaalsContact O-N 3.09Å; L549-R554 HydrophobicContact CB-CB 4.23Å; L549-R554 HydrophobicContact CD2-CB 3.81Å; L549-R554 HydrophobicContact CD2-CG 4.36Å; L549-R554 PolarHBondContact O-N 2.59Å; L549-K557 HydrophobicContact CD1-CB 4.24Å; L549-K557 HydrophobicContact CD2-CB 4.29Å; L549-A558 HydrophobicContact CB-CB 4Å; L549-A558 HydrophobicContact CD1-CB 4.43Å; L549-L561 HydrophobicContact CD1-CD2 4.14Å
550L94.9Very high95Very high13 Ų1362 Ų627%0.06827%0.267CS..Hα-helixtrans-60-44176.7-68.9-172.9000112.3F546 H547 H548 H552 Q553 F555 A558 D573 L574 V577F546-L550 HydrophobicContact CD1-CD1 4.15Å; F546-L550 HydrophobicContact CD1-CG 4.45Å; F546-L550 HydrophobicContact CE1-CD1 3.4Å; F546-L550 VanDerWaalsContact CE1-CD1 3.4Å; F546-L550 HydrophobicContact CE1-CG 4Å; F546-L550 HydrophobicContact CZ-CD1 3.73Å; F546-L550 HydrophobicContact CZ-CD2 4.22Å; F546-L550 HydrophobicContact CZ-CG 4.08Å; F546-L550 PolarHBondContact O-N 3.3Å; H547-L550 PolarHBondContact O-N 3.16Å; H548-L550 PolarHBondContact O-N 3.48Å; L550-H552 PolarHBondContact O-N 2.73Å; L550-Q553 PolarHBondContact O-N 3.48Å; L550-F555 HydrophobicContact CD2-CD1 3.82Å; L550-F555 HydrophobicContact CD2-CE1 4.1Å; L550-A558 HydrophobicContact CD2-CB 3.81Å; L550-A558 HydrophobicContact CG-CB 4.42Å; L550-D573 HydrophobicContact CD1-CB 4.46Å; L550-L574 HydrophobicContact CD2-CB 4.44Å; L550-L574 HydrophobicContact CD2-CD1 3.52Å; L550-V577 HydrophobicContact CD1-CG2 4.34Å
551R93.1Very high94.9Very high196 Ų19657.8 Ų57.874%0.7425%0.25SC*.Hα-helixtrans-60.4-32178-71.7172.5-170.91644.3112.4H547 H548 L549H547-R551 WeakPolarHBondContact O-CG 3.35Å; H547-R551 PolarHBondContact O-N 2.89Å; H547-R551 VanDerWaalsContact O-N 3.15Å; H548-R551 PolarHBondContact O-N 3.05Å; L549-R551 PolarHBondContact O-N 3.06Å
552H93.4Very high94.8Very high77 Ų7756.6 Ų56.636%0.35625%0.245SC..THydrogen-bonded Turntrans-96.512.6178.7-71.8-79.2000113.6L504 H548 L549 L550 R554L504-H552 HydrophobicContact CB-CB 4.06Å; L504-H552 WeakPolarHBondContact CB-CD2 3.17Å; L504-H552 HydrophobicContact CD2-CB 3.8Å; L504-H552 PolarHBondContact N-CE1 3.33Å; L504-H552 PolarHBondContact N-NE2 2.73Å; H548-H552 AromaticContact CE1-CD2 3.92Å; H548-H552 AromaticContact CE1-NE2 3.69Å; H548-H552 AromaticContact NE2-CD2 3.92Å; H548-H552 AromaticContact NE2-NE2 3.93Å; H548-H552 PolarHBondContact O-CD2 3.43Å; H548-H552 VanDerWaalsContact O-CD2 3.3Å; H548-H552 PolarHBondContact O-N 3.05Å; L549-H552 CarbonylContact O-C 3.56Å; L549-H552 PolarHBondContact O-N 2.8Å; L550-H552 PolarHBondContact O-N 2.73Å; H552-R554 HydrophobicContact CB-CG 4.39Å; H552-R554 PolarHBondContact O-N 2.82Å
553Q93Very high94.6Very high114 Ų11459.6 Ų59.653%0.53326%0.263SS..THydrogen-bonded Turntrans58.127.7177.2-57.4176.25200114.2L549 L550 F555L549-Q553 PolarHBondContact O-N 3.17Å; L549-Q553 VanDerWaalsContact O-N 3.09Å; L550-Q553 PolarHBondContact O-N 3.48Å; Q553-F555 HydrophobicContact CB-CE2 4.05Å; Q553-F555 HydrophobicContact CB-CZ 4.18Å; Q553-F555 HydrophobicContact CG-CE2 4.38Å; Q553-F555 HydrophobicContact CG-CZ 4.18Å; Q553-F555 PolarHBondContact O-N 2.88Å; Q553-F555 VanDerWaalsContact O-N 3.1Å
554R94.2Very high94.4Very high110 Ų11061.5 Ų61.542%0.41528%0.28SS..  trans-87.961.4175.8-59.8-68.8-90.1-176.3-6.7110.2L504 E509 L549 H552 E556 K557 A558L504-R554 HydrophobicContact CD2-CG 3.92Å; E509-R554 IonicContact OE1-NH2 2.78Å; E509-R554 IonicContact OE2-CZ 3.37Å; E509-R554 VanDerWaalsContact OE2-CZ 3.25Å; E509-R554 IonicContact OE2-NE 3.86Å; E509-R554 PolarHBondContact OE2-NE 3.46Å; E509-R554 IonicContact OE2-NH2 3.1Å; E509-R554 PolarHBondContact OE2-NH2 3.31Å; L549-R554 HydrophobicContact CB-CB 4.23Å; L549-R554 HydrophobicContact CD2-CB 3.81Å; L549-R554 HydrophobicContact CD2-CG 4.36Å; L549-R554 PolarHBondContact O-N 2.59Å; H552-R554 HydrophobicContact CB-CG 4.39Å; H552-R554 PolarHBondContact O-N 2.82Å; R554-E556 PolarHBondContact O-N 2.99Å; R554-K557 PolarHBondContact O-N 3.27Å; R554-A558 PolarHBondContact O-N 3.36Å
555F94.3Very high94.2Very high15 Ų1558.2 Ų58.27%0.06627%0.27CS..Hα-helixtrans-68.9-36-166.1-59.7-58000114.8L550 Q553 K557 A558 F559 L574 V577 K581 E583 L586L550-F555 HydrophobicContact CD2-CD1 3.82Å; L550-F555 HydrophobicContact CD2-CE1 4.1Å; Q553-F555 HydrophobicContact CB-CE2 4.05Å; Q553-F555 HydrophobicContact CB-CZ 4.18Å; Q553-F555 HydrophobicContact CG-CE2 4.38Å; Q553-F555 HydrophobicContact CG-CZ 4.18Å; Q553-F555 PolarHBondContact O-N 2.88Å; Q553-F555 VanDerWaalsContact O-N 3.1Å; F555-K557 VanDerWaalsContact C-N 3.34Å; F555-K557 PolarHBondContact O-N 3.1Å; F555-A558 PolarHBondContact O-N 2.96Å; F555-F559 WeakPolarHBondContact O-CB 3.11Å; F555-F559 PolarHBondContact O-N 2.82Å; F555-L574 HydrophobicContact CB-CD1 4.07Å; F555-L574 HydrophobicContact CD1-CD1 3.67Å; F555-L574 HydrophobicContact CG-CD1 4.26Å; F555-V577 HydrophobicContact CE1-CG1 3.84Å; F555-V577 HydrophobicContact CZ-CG1 4.27Å; F555-K581 HydrophobicContact CE2-CB 4.16Å; F555-K581 HydrophobicContact CZ-CB 4Å; F555-K581 HydrophobicContact CZ-CG 3.96Å; F555-E583 HydrophobicContact CD2-CG 3.99Å; F555-E583 HydrophobicContact CE2-CG 3.98Å; F555-L586 HydrophobicContact CB-CD2 3.18Å; F555-L586 HydrophobicContact CG-CD2 4.1Å
556E92.1Very high93.9Very high156 Ų15664.7 Ų64.773%0.72930%0.3SS*.Hα-helixtrans-60.4-45.8177.4-63.6-178.8168.200111.4R554 F559 L560R554-E556 PolarHBondContact O-N 2.99Å; E556-F559 WeakPolarHBondContact O-CB 3.5Å; E556-F559 PolarHBondContact O-N 3.12Å; E556-L560 WeakPolarHBondContact O-CG 3.27Å; E556-L560 PolarHBondContact O-N 3.5Å
557K92.2Very high93.6Very high71 Ų7165.2 Ų65.231%0.30930%0.304SS..Hα-helixtrans-66.4-41176.6-75.2-78.5-164158.50112.1E509 E513 L549 R554 F555 F559 L560 L561E509-K557 WeakPolarHBondContact OE1-CD 3.09Å; E509-K557 WeakPolarHBondContact OE1-CE 3.33Å; E509-K557 WeakPolarHBondContact OE1-CG 3.37Å; E509-K557 IonicContact OE1-NZ 3.73Å; E513-K557 IonicContact OE1-NZ 2.82Å; E513-K557 PolarHBondContact OE1-NZ 2.96Å; E513-K557 IonicContact OE2-NZ 3.71Å; E513-K557 PolarHBondContact OE2-NZ 3.4Å; L549-K557 HydrophobicContact CD1-CB 4.24Å; L549-K557 HydrophobicContact CD2-CB 4.29Å; R554-K557 PolarHBondContact O-N 3.27Å; F555-K557 VanDerWaalsContact C-N 3.34Å; F555-K557 PolarHBondContact O-N 3.1Å; K557-F559 VanDerWaalsContact C-N 3.29Å; K557-F559 PolarHBondContact O-N 3.15Å; K557-L560 PolarHBondContact O-N 3.17Å; K557-L561 WeakPolarHBondContact O-CB 3.46Å; K557-L561 PolarHBondContact O-N 2.99Å
558A94.9Very high93.5Very high0 Ų066.6 Ų66.60%031%0.307CS..Hα-helixtrans-60.9-40.1173.500000111.5F546 L549 L550 R554 F555 L561 A562F546-A558 HydrophobicContact CD2-CB 3.94Å; F546-A558 VanDerWaalsContact CD2-O 3.3Å; F546-A558 WeakPolarHBondContact CD2-O 3.34Å; F546-A558 HydrophobicContact CE2-CB 3.81Å; F546-A558 VanDerWaalsContact CE2-O 3.25Å; F546-A558 WeakPolarHBondContact CE2-O 3.41Å; L549-A558 HydrophobicContact CB-CB 4Å; L549-A558 HydrophobicContact CD1-CB 4.43Å; L550-A558 HydrophobicContact CD2-CB 3.81Å; L550-A558 HydrophobicContact CG-CB 4.42Å; R554-A558 PolarHBondContact O-N 3.36Å; F555-A558 PolarHBondContact O-N 2.96Å; A558-L561 PolarHBondContact O-N 3.37Å; A558-A562 WeakPolarHBondContact O-CB 3.36Å; A558-A562 PolarHBondContact O-N 2.95Å
559F95.1Very high93.4Very high31 Ų3169 Ų6914%0.13632%0.32CS..Hα-helixtrans-61.8-47.8175.5-176.2-86.5000111.7F555 E556 K557 L561 A562 V563 F571 L574 L586 V589 A590 K593F555-F559 WeakPolarHBondContact O-CB 3.11Å; F555-F559 PolarHBondContact O-N 2.82Å; E556-F559 WeakPolarHBondContact O-CB 3.5Å; E556-F559 PolarHBondContact O-N 3.12Å; K557-F559 VanDerWaalsContact C-N 3.29Å; K557-F559 PolarHBondContact O-N 3.15Å; F559-L561 PolarHBondContact O-N 3.13Å; F559-A562 PolarHBondContact O-N 3.34Å; F559-V563 HydrophobicContact CD1-CG2 4.14Å; F559-V563 HydrophobicContact CE1-CG2 3.84Å; F559-V563 HydrophobicContact CZ-CG2 4.46Å; F559-V563 WeakPolarHBondContact O-CG2 3.09Å; F559-V563 PolarHBondContact O-N 3.32Å; F559-F571 HydrophobicContact CD2-CD1 4.29Å; F559-F571 AromaticContact CD2-CE1 3.93Å; F559-F571 HydrophobicContact CD2-CE1 3.93Å; F559-F571 HydrophobicContact CE2-CD1 4.13Å; F559-F571 AromaticContact CE2-CE1 3.72Å; F559-F571 HydrophobicContact CE2-CE1 3.72Å; F559-F571 HydrophobicContact CG-CE1 4.47Å; F559-F571 HydrophobicContact CZ-CE1 4.1Å; F559-L574 HydrophobicContact CB-CD2 3.69Å; F559-L574 HydrophobicContact CD2-CD2 3.66Å; F559-L574 HydrophobicContact CG-CD2 4.16Å; F559-L586 HydrophobicContact CB-CD1 4.4Å; F559-L586 HydrophobicContact CD2-CD1 4.01Å; F559-L586 HydrophobicContact CG-CD1 4.28Å; F559-V589 HydrophobicContact CE2-CG1 3.74Å; F559-V589 HydrophobicContact CZ-CG1 3.7Å; F559-A590 HydrophobicContact CD2-CB 4.47Å; F559-A590 HydrophobicContact CE2-CB 4.45Å; F559-K593 HydrophobicContact CE2-CG 4.27Å; F559-K593 HydrophobicContact CZ-CG 3.9Å
560L94.3Very high93.4Very high98 Ų9868.9 Ų68.951%0.51332%0.319SS..Hα-helixtrans-60.3-44.9177.1-67.6175.1000111.7E556 K557 A562 V563 D564E556-L560 WeakPolarHBondContact O-CG 3.27Å; E556-L560 PolarHBondContact O-N 3.5Å; K557-L560 PolarHBondContact O-N 3.17Å; L560-A562 VanDerWaalsContact C-N 3.29Å; L560-A562 PolarHBondContact O-N 3.44Å; L560-V563 WeakPolarHBondContact O-CA 3.48Å; L560-V563 WeakPolarHBondContact O-CB 3.29Å; L560-V563 PolarHBondContact O-N 3.48Å; L560-D564 PolarHBondContact O-N 3.18Å
561L93.9Very high93.5Very high25 Ų2568.3 Ų68.313%0.13132%0.316CS..Hα-helixtrans-63-35.4176.9-175.858.8000112.4L545 F546 L549 K557 A558 F559 V563 D564 L565L545-L561 HydrophobicContact CB-CD2 4.24Å; L545-L561 HydrophobicContact CD2-CD2 3.99Å; L545-L561 HydrophobicContact CG-CD2 3.93Å; F546-L561 HydrophobicContact CB-CD2 3.88Å; L549-L561 HydrophobicContact CD1-CD2 4.14Å; K557-L561 WeakPolarHBondContact O-CB 3.46Å; K557-L561 PolarHBondContact O-N 2.99Å; A558-L561 PolarHBondContact O-N 3.37Å; F559-L561 PolarHBondContact O-N 3.13Å; L561-V563 VanDerWaalsContact C-N 3.33Å; L561-D564 PolarHBondContact O-N 3.46Å; L561-L565 HydrophobicContact CD1-CD1 4.29Å; L561-L565 HydrophobicContact CD1-CG 4.32Å; L561-L565 HydrophobicContact CG-CD1 4.2Å; L561-L565 WeakPolarHBondContact O-CB 3.25Å; L561-L565 VanDerWaalsContact O-CG 3.29Å; L561-L565 WeakPolarHBondContact O-CG 3.3Å; L561-L565 PolarHBondContact O-N 3.05Å
562A94.2Very high93.7Very high0 Ų060.5 Ų60.50%029%0.288CS..Hα-helixtrans-68.2-32174.100000112.6F546 A558 F559 L560 E566 A567 L570 F571F546-A562 HydrophobicContact CD2-CB 4.37Å; F546-A562 HydrophobicContact CE2-CB 3.96Å; A558-A562 WeakPolarHBondContact O-CB 3.36Å; A558-A562 PolarHBondContact O-N 2.95Å; F559-A562 PolarHBondContact O-N 3.34Å; L560-A562 VanDerWaalsContact C-N 3.29Å; L560-A562 PolarHBondContact O-N 3.44Å; A562-E566 PolarHBondContact O-N 3.44Å; A562-E566 VanDerWaalsContact O-N 3.15Å; A562-A567 PolarHBondContact O-N 3.11Å; A562-L570 HydrophobicContact CB-CB 3.98Å; A562-F571 VanDerWaalsContact C-CZ 3.5Å; A562-F571 HydrophobicContact CB-CD1 4.11Å; A562-F571 HydrophobicContact CB-CD2 4.25Å; A562-F571 HydrophobicContact CB-CE1 3.84Å; A562-F571 HydrophobicContact CB-CE2 3.98Å; A562-F571 HydrophobicContact CB-CG 4.31Å; A562-F571 HydrophobicContact CB-CZ 3.78Å; A562-F571 VanDerWaalsContact O-CE2 3.31Å; A562-F571 WeakPolarHBondContact O-CE2 3.31Å
563V93.8Very high93.7Very high63 Ų6359.7 Ų59.738%0.38229%0.287SS..Hα-helixtrans-64.2-50.4170.9174.10000110F559 L560 L561 L565 E566 F571F559-V563 HydrophobicContact CD1-CG2 4.14Å; F559-V563 HydrophobicContact CE1-CG2 3.84Å; F559-V563 HydrophobicContact CZ-CG2 4.46Å; F559-V563 WeakPolarHBondContact O-CG2 3.09Å; F559-V563 PolarHBondContact O-N 3.32Å; L560-V563 WeakPolarHBondContact O-CA 3.48Å; L560-V563 WeakPolarHBondContact O-CB 3.29Å; L560-V563 PolarHBondContact O-N 3.48Å; L561-V563 VanDerWaalsContact C-N 3.33Å; V563-L565 VanDerWaalsContact C-N 3.28Å; V563-L565 PolarHBondContact O-N 3.36Å; V563-E566 WeakPolarHBondContact O-CG 3.49Å; V563-E566 PolarHBondContact O-N 3.01Å; V563-F571 HydrophobicContact CB-CZ 4.34Å; V563-F571 HydrophobicContact CG2-CE1 4.14Å; V563-F571 HydrophobicContact CG2-CZ 3.66Å
564D91.9Very high93.9Very high129 Ų12954.3 Ų54.369%0.6926%0.262SS*.Hα-helixtrans-62.6-34.3-177.8-65.3-24.9000112.8L560 L561 E566L560-D564 PolarHBondContact O-N 3.18Å; L561-D564 PolarHBondContact O-N 3.46Å; D564-E566 VanDerWaalsContact C-N 3.34Å
565L91.5Very high93.9Very high33 Ų3350.6 Ų50.617%0.17325%0.249CC..THydrogen-bonded Turntrans-82.8-9.9176.8-65.7178.2000113.7T539 A542 R543 L561 V563 A567 L570T539-L565 HydrophobicContact CG2-CD2 4.28Å; A542-L565 HydrophobicContact CB-CD1 3.97Å; A542-L565 HydrophobicContact CB-CD2 3.96Å; R543-L565 HydrophobicContact CG-CD1 4.35Å; L561-L565 HydrophobicContact CD1-CD1 4.29Å; L561-L565 HydrophobicContact CD1-CG 4.32Å; L561-L565 HydrophobicContact CG-CD1 4.2Å; L561-L565 WeakPolarHBondContact O-CB 3.25Å; L561-L565 VanDerWaalsContact O-CG 3.29Å; L561-L565 WeakPolarHBondContact O-CG 3.3Å; L561-L565 PolarHBondContact O-N 3.05Å; V563-L565 VanDerWaalsContact C-N 3.28Å; V563-L565 PolarHBondContact O-N 3.36Å; L565-A567 HydrophobicContact CB-CB 4.23Å; L565-A567 PolarHBondContact O-N 3.49Å; L565-A567 VanDerWaalsContact O-N 3.15Å; L565-L570 HydrophobicContact CB-CD1 4.34Å; L565-L570 HydrophobicContact CD1-CD1 3.62Å
566E91.4Very high93.9Very high143 Ų14356.6 Ų56.667%0.66827%0.272SS*.THydrogen-bonded Turntrans47.238.1-175.6-61.6-168.2153.600114.1A562 V563 D564A562-E566 PolarHBondContact O-N 3.44Å; A562-E566 VanDerWaalsContact O-N 3.15Å; V563-E566 WeakPolarHBondContact O-CG 3.49Å; V563-E566 PolarHBondContact O-N 3.01Å; D564-E566 VanDerWaalsContact C-N 3.34Å
567A90.8Very high94Very high10 Ų1051.5 Ų51.58%0.08325%0.251CS..  trans-106.6112.2-168.400000112.1A562 L565 D569 L570 F571A562-A567 PolarHBondContact O-N 3.11Å; L565-A567 HydrophobicContact CB-CB 4.23Å; L565-A567 PolarHBondContact O-N 3.49Å; L565-A567 VanDerWaalsContact O-N 3.15Å; A567-D569 VanDerWaalsContact C-N 3.34Å; A567-D569 WeakPolarHBondContact CB-OD1 3.32Å; A567-D569 PolarHBondContact O-N 3.02Å; A567-L570 HydrophobicContact CB-CB 4.36Å; A567-L570 HydrophobicContact CB-CD1 3.84Å; A567-L570 HydrophobicContact CB-CG 3.81Å; A567-L570 PolarHBondContact O-N 3.35Å; A567-F571 VanDerWaalsContact O-CD2 3.3Å; A567-F571 WeakPolarHBondContact O-CD2 3.47Å; A567-F571 PolarHBondContact O-N 3.44Å
568R92.3Very high94.1Very high99 Ų9948.1 Ų48.137%0.37424%0.237SC..Hα-helixtrans-58.9-41.9-178.7179.4-172.5176.6-84.17.7113.1L570 F571 M572 A594 I597 E598R568-L570 VanDerWaalsContact C-N 3.32Å; R568-L570 PolarHBondContact O-N 3.32Å; R568-F571 PolarHBondContact O-N 3.24Å; R568-M572 PolarHBondContact O-N 3.32Å; R568-M572 VanDerWaalsContact O-N 3.16Å; R568-A594 HydrophobicContact CG-CB 4.05Å; R568-I597 HydrophobicContact CB-CG2 4.2Å; R568-E598 IonicContact CZ-OE2 3.23Å; R568-E598 VanDerWaalsContact CZ-OE2 3.23Å; R568-E598 IonicContact NE-OE2 2.82Å; R568-E598 PolarHBondContact NE-OE2 3.5Å; R568-E598 IonicContact NH2-OE1 3.83Å; R568-E598 IonicContact NH2-OE2 2.79Å; R568-E598 PolarHBondContact NH2-OE2 3.46Å
569D95Very high94Very high62 Ų6249.8 Ų49.833%0.33225%0.254SS..Hα-helixtrans-56.8-46179.752.7-23.7000111.1R543 A567 F571 M572 D573R543-D569 IonicContact CZ-OD2 3.22Å; R543-D569 VanDerWaalsContact CZ-OD2 3.26Å; R543-D569 IonicContact NH1-OD2 2.82Å; R543-D569 PolarHBondContact NH1-OD2 3.06Å; R543-D569 IonicContact NH2-OD1 3.12Å; R543-D569 PolarHBondContact NH2-OD1 2.97Å; R543-D569 VanDerWaalsContact NH2-OD1 3.12Å; R543-D569 IonicContact NH2-OD2 2.82Å; R543-D569 PolarHBondContact NH2-OD2 3.21Å; A567-D569 VanDerWaalsContact C-N 3.34Å; A567-D569 WeakPolarHBondContact CB-OD1 3.32Å; A567-D569 PolarHBondContact O-N 3.02Å; D569-F571 VanDerWaalsContact C-N 3.35Å; D569-F571 PolarHBondContact O-N 3.22Å; D569-M572 PolarHBondContact O-N 3.49Å; D569-M572 VanDerWaalsContact O-N 3.1Å; D569-D573 PolarHBondContact O-N 2.88Å
570L95.8Very high93.9Very high1 Ų155.2 Ų55.21%0.00529%0.285CS..Hα-helixtrans-62.3-39.5178.6-55.9-174000112.6R543 F546 A562 L565 A567 R568 M572 D573 L574R543-L570 HydrophobicContact CG-CD1 4.32Å; R543-L570 HydrophobicContact CG-CD2 4.44Å; F546-L570 HydrophobicContact CD1-CB 4.32Å; F546-L570 HydrophobicContact CD1-CD1 4.48Å; F546-L570 HydrophobicContact CD1-CD2 3.71Å; F546-L570 HydrophobicContact CD1-CG 4.38Å; F546-L570 HydrophobicContact CD2-CB 4.37Å; F546-L570 HydrophobicContact CD2-CD1 4.38Å; F546-L570 HydrophobicContact CE1-CB 3.94Å; F546-L570 HydrophobicContact CE1-CD2 3.91Å; F546-L570 HydrophobicContact CE1-CG 4.43Å; F546-L570 HydrophobicContact CE2-CB 4.03Å; F546-L570 HydrophobicContact CG-CD1 4.21Å; F546-L570 HydrophobicContact CG-CD2 4.26Å; F546-L570 HydrophobicContact CZ-CB 3.81Å; F546-L570 WeakPolarHBondContact CZ-O 3.48Å; A562-L570 HydrophobicContact CB-CB 3.98Å; L565-L570 HydrophobicContact CB-CD1 4.34Å; L565-L570 HydrophobicContact CD1-CD1 3.62Å; A567-L570 HydrophobicContact CB-CB 4.36Å; A567-L570 HydrophobicContact CB-CD1 3.84Å; A567-L570 HydrophobicContact CB-CG 3.81Å; A567-L570 PolarHBondContact O-N 3.35Å; R568-L570 VanDerWaalsContact C-N 3.32Å; R568-L570 PolarHBondContact O-N 3.32Å; L570-M572 VanDerWaalsContact C-N 3.31Å; L570-M572 PolarHBondContact O-N 3Å; L570-D573 PolarHBondContact O-N 2.83Å; L570-L574 WeakPolarHBondContact O-CB 3.43Å; L570-L574 PolarHBondContact O-N 3.41Å
571F96.6Very high93.8Very high2 Ų256.3 Ų56.31%0.00929%0.285CS..Hα-helixtrans-64.4-35.9175.3-77.1-69.1000112.8F559 A562 V563 A567 R568 D569 H575 A590 K593 A594 I597F559-F571 HydrophobicContact CD2-CD1 4.29Å; F559-F571 AromaticContact CD2-CE1 3.93Å; F559-F571 HydrophobicContact CD2-CE1 3.93Å; F559-F571 HydrophobicContact CE2-CD1 4.13Å; F559-F571 AromaticContact CE2-CE1 3.72Å; F559-F571 HydrophobicContact CE2-CE1 3.72Å; F559-F571 HydrophobicContact CG-CE1 4.47Å; F559-F571 HydrophobicContact CZ-CE1 4.1Å; A562-F571 VanDerWaalsContact C-CZ 3.5Å; A562-F571 HydrophobicContact CB-CD1 4.11Å; A562-F571 HydrophobicContact CB-CD2 4.25Å; A562-F571 HydrophobicContact CB-CE1 3.84Å; A562-F571 HydrophobicContact CB-CE2 3.98Å; A562-F571 HydrophobicContact CB-CG 4.31Å; A562-F571 HydrophobicContact CB-CZ 3.78Å; A562-F571 VanDerWaalsContact O-CE2 3.31Å; A562-F571 WeakPolarHBondContact O-CE2 3.31Å; V563-F571 HydrophobicContact CB-CZ 4.34Å; V563-F571 HydrophobicContact CG2-CE1 4.14Å; V563-F571 HydrophobicContact CG2-CZ 3.66Å; A567-F571 VanDerWaalsContact O-CD2 3.3Å; A567-F571 WeakPolarHBondContact O-CD2 3.47Å; A567-F571 PolarHBondContact O-N 3.44Å; R568-F571 PolarHBondContact O-N 3.24Å; D569-F571 VanDerWaalsContact C-N 3.35Å; D569-F571 PolarHBondContact O-N 3.22Å; F571-H575 PolarHBondContact O-N 3.48Å; F571-A590 HydrophobicContact CD1-CB 4.38Å; F571-K593 HydrophobicContact CD1-CB 3.9Å; F571-K593 HydrophobicContact CD2-CB 4.48Å; F571-K593 HydrophobicContact CE1-CB 3.85Å; F571-K593 HydrophobicContact CE1-CG 4.35Å; F571-K593 HydrophobicContact CE2-CB 4.45Å; F571-K593 HydrophobicContact CG-CB 4.22Å; F571-K593 HydrophobicContact CZ-CB 4.14Å; F571-A594 HydrophobicContact CB-CB 3.8Å; F571-I597 HydrophobicContact CD2-CD1 3.62Å; F571-I597 HydrophobicContact CE2-CD1 3.44Å; F571-I597 VanDerWaalsContact CE2-CD1 3.44Å
572M96.3Very high93.6Very high31 Ų3157.7 Ų57.715%0.15331%0.306CS..Hα-helixtrans-69.6-41.1175.6-69-58.2-57.400111.5R568 D569 L570 L574 H575 Y576 A594R568-M572 PolarHBondContact O-N 3.32Å; R568-M572 VanDerWaalsContact O-N 3.16Å; D569-M572 PolarHBondContact O-N 3.49Å; D569-M572 VanDerWaalsContact O-N 3.1Å; L570-M572 VanDerWaalsContact C-N 3.31Å; L570-M572 PolarHBondContact O-N 3Å; M572-L574 VanDerWaalsContact C-N 3.32Å; M572-L574 PolarHBondContact O-N 3.27Å; M572-H575 WeakPolarHBondContact O-CB 3.3Å; M572-H575 PolarHBondContact O-N 2.97Å; M572-Y576 HydrophobicContact CE-CE2 3.89Å; M572-Y576 WeakPolarHBondContact O-CD2 3.49Å; M572-Y576 PolarHBondContact O-N 3.06Å; M572-Y576 VanDerWaalsContact O-N 3.17Å; M572-A594 HydrophobicContact CG-CB 3.98Å; M572-A594 HydrophobicContact SD-CB 3.68Å
573D95.3Very high93.5Very high61 Ų6162.5 Ų62.533%0.32633%0.328SS..Hα-helixtrans-60.9-42.8174.9-67-25.8000111.3F546 H547 L550 D569 L570 Y576 V577F546-D573 HydrophobicContact CE1-CB 4.19Å; H547-D573 IonicContact NE2-OD2 2.8Å; L550-D573 HydrophobicContact CD1-CB 4.46Å; D569-D573 PolarHBondContact O-N 2.88Å; L570-D573 PolarHBondContact O-N 2.83Å; D573-Y576 PolarHBondContact O-N 2.81Å; D573-V577 WeakPolarHBondContact O-CG2 3.36Å; D573-V577 PolarHBondContact O-N 3.44Å; D573-V577 VanDerWaalsContact O-N 3.13Å
574L95.5Very high93.4Very high0 Ų063.9 Ų63.90%034%0.336CS..Hα-helixtrans-62.2-41.6174176.861.4000112F546 L550 F555 F559 L570 M572 Y576 A578 L586 A590F546-L574 HydrophobicContact CZ-CB 4.06Å; L550-L574 HydrophobicContact CD2-CB 4.44Å; L550-L574 HydrophobicContact CD2-CD1 3.52Å; F555-L574 HydrophobicContact CB-CD1 4.07Å; F555-L574 HydrophobicContact CD1-CD1 3.67Å; F555-L574 HydrophobicContact CG-CD1 4.26Å; F559-L574 HydrophobicContact CB-CD2 3.69Å; F559-L574 HydrophobicContact CD2-CD2 3.66Å; F559-L574 HydrophobicContact CG-CD2 4.16Å; L570-L574 WeakPolarHBondContact O-CB 3.43Å; L570-L574 PolarHBondContact O-N 3.41Å; M572-L574 VanDerWaalsContact C-N 3.32Å; M572-L574 PolarHBondContact O-N 3.27Å; L574-Y576 PolarHBondContact O-N 2.88Å; L574-A578 HydrophobicContact CD1-CB 4.39Å; L574-A578 WeakPolarHBondContact O-CB 3.36Å; L574-A578 PolarHBondContact O-N 3.3Å; L574-L586 HydrophobicContact CD1-CD2 4.32Å; L574-A590 HydrophobicContact CB-CB 4.37Å; L574-A590 HydrophobicContact CD2-CB 4.02Å; L574-A590 HydrophobicContact CG-CB 4.09Å
575H94.8Very high93.5Very high33 Ų3363.2 Ų63.215%0.15334%0.337CS..Hα-helixtrans-56.9-49.9178.3169.868.3000112.1F571 M572 G579 A587 A590F571-H575 PolarHBondContact O-N 3.48Å; M572-H575 WeakPolarHBondContact O-CB 3.3Å; M572-H575 PolarHBondContact O-N 2.97Å; H575-G579 PolarHBondContact O-N 3.47Å; H575-A587 VanDerWaalsContact ND1-C 3.33Å; H575-A587 PolarHBondContact ND1-O 2.98Å; H575-A587 WeakPolarHBondContact O-CB 3.39Å; H575-A590 HydrophobicContact CB-CB 4.31Å
576Y94.8Very high93.6Very high141 Ų14163.3 Ų63.355%0.55334%0.337SS*.Hα-helixtrans-66.1-48.1-179-68.3-62.7000111.7M572 D573 L574 A578 G579 D580M572-Y576 HydrophobicContact CE-CE2 3.89Å; M572-Y576 WeakPolarHBondContact O-CD2 3.49Å; M572-Y576 PolarHBondContact O-N 3.06Å; M572-Y576 VanDerWaalsContact O-N 3.17Å; D573-Y576 PolarHBondContact O-N 2.81Å; L574-Y576 PolarHBondContact O-N 2.88Å; Y576-A578 PolarHBondContact O-N 3.14Å; Y576-G579 PolarHBondContact O-N 3.39Å; Y576-D580 PolarHBondContact O-N 3.47Å
577V94.6Very high93.6Very high48 Ų4856.6 Ų56.629%0.29131%0.306SS..Hα-helixtrans-67.7-39.2-177.6-179.80000112.1L550 F555 D573 D580 K581L550-V577 HydrophobicContact CD1-CG2 4.34Å; F555-V577 HydrophobicContact CE1-CG1 3.84Å; F555-V577 HydrophobicContact CZ-CG1 4.27Å; D573-V577 WeakPolarHBondContact O-CG2 3.36Å; D573-V577 PolarHBondContact O-N 3.44Å; D573-V577 VanDerWaalsContact O-N 3.13Å; V577-D580 PolarHBondContact O-N 2.79Å; V577-K581 WeakPolarHBondContact O-CG 3.47Å; V577-K581 PolarHBondContact O-N 3.22Å
578A93.8Very high93.8Very high0 Ų059.6 Ų59.60%032%0.321CS..Hα-helixtrans-66.1-41175.900000111.3L574 Y576 K581 G582 E583 A587L574-A578 HydrophobicContact CD1-CB 4.39Å; L574-A578 WeakPolarHBondContact O-CB 3.36Å; L574-A578 PolarHBondContact O-N 3.3Å; Y576-A578 PolarHBondContact O-N 3.14Å; A578-K581 CarbonylContact O-C 3.6Å; A578-K581 PolarHBondContact O-N 3.15Å; A578-G582 PolarHBondContact O-N 3.03Å; A578-G582 VanDerWaalsContact O-N 3.14Å; A578-E583 HydrophobicContact CB-CB 4.07Å; A578-E583 PolarHBondContact O-N 3.45Å; A578-A587 HydrophobicContact CB-CB 4.06Å
579G93.1Very high93.9Very high36 Ų3657.3 Ų57.337%0.37132%0.318SS..Hα-helixtrans-58.8-47.6174.600000112.5H575 Y576 K581 G582H575-G579 PolarHBondContact O-N 3.47Å; Y576-G579 PolarHBondContact O-N 3.39Å; G579-K581 PolarHBondContact O-N 3.16Å; G579-G582 PolarHBondContact O-N 3.27Å; G579-G582 VanDerWaalsContact O-N 3.11Å
580D92.9Very high93.8Very high145 Ų14554.4 Ų54.478%0.77530%0.302SS*.Hα-helixtrans-62.7-26.3178.1-73.4-10.3000113.2Y576 V577Y576-D580 PolarHBondContact O-N 3.47Å; V577-D580 PolarHBondContact O-N 2.79Å
581K91.7Very high93.8Very high121 Ų12158.9 Ų58.953%0.52632%0.322SS..THydrogen-bonded Turntrans-94.60.2178.9-66.1-67.7-176179.70113.9F555 V577 A578 G579F555-K581 HydrophobicContact CE2-CB 4.16Å; F555-K581 HydrophobicContact CZ-CB 4Å; F555-K581 HydrophobicContact CZ-CG 3.96Å; V577-K581 WeakPolarHBondContact O-CG 3.47Å; V577-K581 PolarHBondContact O-N 3.22Å; A578-K581 CarbonylContact O-C 3.6Å; A578-K581 PolarHBondContact O-N 3.15Å; G579-K581 PolarHBondContact O-N 3.16Å
582G90.1Very high93.7Very high54 Ų5466.3 Ų66.356%0.55735%0.35SS*.THydrogen-bonded Turntrans88.47.1176.800000115.3A578 G579 V584A578-G582 PolarHBondContact O-N 3.03Å; A578-G582 VanDerWaalsContact O-N 3.14Å; G579-G582 PolarHBondContact O-N 3.27Å; G579-G582 VanDerWaalsContact O-N 3.11Å; G582-V584 VanDerWaalsContact C-N 3.31Å; G582-V584 PolarHBondContact O-N 3.36Å; G582-V584 VanDerWaalsContact O-N 3.1Å
583E92.6Very high93.5Very high101 Ų10168.2 Ų68.247%0.47236%0.357SS..  trans-87.163.5179-69.2-64.516500111.5F555 A578 V585 L586 A587F555-E583 HydrophobicContact CD2-CG 3.99Å; F555-E583 HydrophobicContact CE2-CG 3.98Å; A578-E583 HydrophobicContact CB-CB 4.07Å; A578-E583 PolarHBondContact O-N 3.45Å; E583-V585 VanDerWaalsContact C-N 3.33Å; E583-V585 PolarHBondContact O-N 3Å; E583-L586 HydrophobicContact CB-CB 4.47Å; E583-L586 PolarHBondContact O-N 3.3Å; E583-A587 WeakPolarHBondContact O-CB 3.49Å; E583-A587 PolarHBondContact O-N 3.1Å
584V91.7Very high93.4Very high91 Ų9165.3 Ų65.355%0.55234%0.341SS*.Hα-helixtrans-60.6-39.2-170.5-175.60000112.8G582 A587 D588G582-V584 VanDerWaalsContact C-N 3.31Å; G582-V584 PolarHBondContact O-N 3.36Å; G582-V584 VanDerWaalsContact O-N 3.1Å; V584-A587 PolarHBondContact O-N 3.3Å; V584-D588 PolarHBondContact O-N 2.79Å
585V93.3Very high93.3Very high116 Ų11669.1 Ų69.170%0.70336%0.362SS*.Hα-helixtrans-63-47.6-179.2179.30000110.6E583 A587 D588 V589E583-V585 VanDerWaalsContact C-N 3.33Å; E583-V585 PolarHBondContact O-N 3Å; V585-A587 VanDerWaalsContact C-N 3.35Å; V585-D588 PolarHBondContact O-N 2.82Å; V585-V589 VanDerWaalsContact O-CG2 3.3Å; V585-V589 WeakPolarHBondContact O-CG2 3.44Å; V585-V589 PolarHBondContact O-N 3.43Å; V585-V589 VanDerWaalsContact O-N 3.09Å
586L92.9Very high93.2Very high34 Ų3471 Ų7118%0.17837%0.371CS..Hα-helixtrans-68.3-37.9179.6-17267.6000111.4F555 F559 L574 E583 D588 V589 A590F555-L586 HydrophobicContact CB-CD2 3.18Å; F555-L586 HydrophobicContact CG-CD2 4.1Å; F559-L586 HydrophobicContact CB-CD1 4.4Å; F559-L586 HydrophobicContact CD2-CD1 4.01Å; F559-L586 HydrophobicContact CG-CD1 4.28Å; L574-L586 HydrophobicContact CD1-CD2 4.32Å; E583-L586 HydrophobicContact CB-CB 4.47Å; E583-L586 PolarHBondContact O-N 3.3Å; L586-D588 VanDerWaalsContact C-N 3.34Å; L586-D588 PolarHBondContact O-N 3.45Å; L586-V589 PolarHBondContact O-N 2.87Å; L586-A590 WeakPolarHBondContact O-CB 3.38Å; L586-A590 PolarHBondContact O-N 3.03Å
587A92.6Very high93Very high2 Ų266 Ų662%0.01735%0.353CS..Hα-helixtrans-58.4-45.5175.100000111.6H575 A578 E583 V584 V585 A590 K591H575-A587 VanDerWaalsContact ND1-C 3.33Å; H575-A587 PolarHBondContact ND1-O 2.98Å; H575-A587 WeakPolarHBondContact O-CB 3.39Å; A578-A587 HydrophobicContact CB-CB 4.06Å; E583-A587 WeakPolarHBondContact O-CB 3.49Å; E583-A587 PolarHBondContact O-N 3.1Å; V584-A587 PolarHBondContact O-N 3.3Å; V585-A587 VanDerWaalsContact C-N 3.35Å; A587-A590 PolarHBondContact O-N 3.32Å; A587-K591 PolarHBondContact O-N 3.28Å
588D93.5Very high92.8Very high73 Ų7367.1 Ų67.139%0.3936%0.355SS..Hα-helixtrans-65-42177.6-82.1-17000112.4V584 V585 L586 K591 R592V584-D588 PolarHBondContact O-N 2.79Å; V585-D588 PolarHBondContact O-N 2.82Å; L586-D588 VanDerWaalsContact C-N 3.34Å; L586-D588 PolarHBondContact O-N 3.45Å; D588-K591 PolarHBondContact O-N 3.14Å; D588-R592 WeakPolarHBondContact O-CG 3.47Å; D588-R592 PolarHBondContact O-N 3.07Å
589V94.9Very high92.6Very high52 Ų5269.9 Ų69.932%0.31538%0.378SS..Hα-helixtrans-64.3-43.3177.8175.70000110.8F559 V585 L586 K591 R592 K593F559-V589 HydrophobicContact CE2-CG1 3.74Å; F559-V589 HydrophobicContact CZ-CG1 3.7Å; V585-V589 VanDerWaalsContact O-CG2 3.3Å; V585-V589 WeakPolarHBondContact O-CG2 3.44Å; V585-V589 PolarHBondContact O-N 3.43Å; V585-V589 VanDerWaalsContact O-N 3.09Å; L586-V589 PolarHBondContact O-N 2.87Å; V589-K591 PolarHBondContact O-N 3.4Å; V589-R592 PolarHBondContact O-N 3.37Å; V589-K593 PolarHBondContact O-N 3.08Å
590A93.7Very high92.3Very high0 Ų075.3 Ų75.30%039%0.387CS..Hα-helixtrans-59.9-45176.300000111.7F559 F571 L574 H575 L586 A587 R592 K593 A594F559-A590 HydrophobicContact CD2-CB 4.47Å; F559-A590 HydrophobicContact CE2-CB 4.45Å; F571-A590 HydrophobicContact CD1-CB 4.38Å; L574-A590 HydrophobicContact CB-CB 4.37Å; L574-A590 HydrophobicContact CD2-CB 4.02Å; L574-A590 HydrophobicContact CG-CB 4.09Å; H575-A590 HydrophobicContact CB-CB 4.31Å; L586-A590 WeakPolarHBondContact O-CB 3.38Å; L586-A590 PolarHBondContact O-N 3.03Å; A587-A590 PolarHBondContact O-N 3.32Å; A590-R592 PolarHBondContact O-N 3.42Å; A590-K593 PolarHBondContact O-N 3.4Å; A590-A594 PolarHBondContact O-N 3.47Å
591K94.4Very high91.9Very high95 Ų9571 Ų7141%0.41337%0.372SS..Hα-helixtrans-61.9-41.6176.1-174.9175.5-177.5174.50112.8A587 D588 V589 K593 A594 N595A587-K591 PolarHBondContact O-N 3.28Å; D588-K591 PolarHBondContact O-N 3.14Å; V589-K591 PolarHBondContact O-N 3.4Å; K591-K593 VanDerWaalsContact C-N 3.34Å; K591-A594 PolarHBondContact O-N 3.42Å; K591-N595 VanDerWaalsContact O-CG 3.31Å; K591-N595 PolarHBondContact O-N 3.01Å; K591-N595 VanDerWaalsContact O-N 3.14Å; K591-N595 PolarHBondContact O-ND2 3.01Å
592R94.4Very high91.5Very high159 Ų15970.5 Ų70.560%0.637%0.374SS*.Hα-helixtrans-60.9-44.5175.1-71177.1-157.61727.7111D588 V589 A590 N595 E596D588-R592 WeakPolarHBondContact O-CG 3.47Å; D588-R592 PolarHBondContact O-N 3.07Å; V589-R592 PolarHBondContact O-N 3.37Å; A590-R592 PolarHBondContact O-N 3.42Å; R592-N595 PolarHBondContact O-N 2.96Å; R592-E596 WeakPolarHBondContact O-CG 3.45Å; R592-E596 PolarHBondContact O-N 3.31Å
593K93.5Very high91Very high70 Ų7071 Ų7130%0.30437%0.373SS..Hα-helixtrans-64.5-40.4177.6-73.6-63.8176.8-165.80113.5F559 F571 V589 A590 K591 N595 E596 I597F559-K593 HydrophobicContact CE2-CG 4.27Å; F559-K593 HydrophobicContact CZ-CG 3.9Å; F571-K593 HydrophobicContact CD1-CB 3.9Å; F571-K593 HydrophobicContact CD2-CB 4.48Å; F571-K593 HydrophobicContact CE1-CB 3.85Å; F571-K593 HydrophobicContact CE1-CG 4.35Å; F571-K593 HydrophobicContact CE2-CB 4.45Å; F571-K593 HydrophobicContact CG-CB 4.22Å; F571-K593 HydrophobicContact CZ-CB 4.14Å; V589-K593 PolarHBondContact O-N 3.08Å; A590-K593 PolarHBondContact O-N 3.4Å; K591-K593 VanDerWaalsContact C-N 3.34Å; K593-N595 VanDerWaalsContact C-N 3.31Å; K593-N595 PolarHBondContact O-N 3.45Å; K593-E596 WeakPolarHBondContact CD-OE2 3.47Å; K593-E596 IonicContact NZ-OE1 3.51Å; K593-E596 IonicContact NZ-OE2 2.81Å; K593-E596 PolarHBondContact NZ-OE2 3.24Å; K593-E596 PolarHBondContact O-N 3.07Å; K593-I597 WeakPolarHBondContact O-CG1 3.26Å; K593-I597 PolarHBondContact O-N 3.39Å; K593-I597 VanDerWaalsContact O-N 3.08Å
594A93.6Very high89.7Confident0 Ų068 Ų680%037%0.37CS..Hα-helixtrans-56.7-45.717300000111.9R568 F571 M572 A590 K591 I597 E598R568-A594 HydrophobicContact CG-CB 4.05Å; F571-A594 HydrophobicContact CB-CB 3.8Å; M572-A594 HydrophobicContact CG-CB 3.98Å; M572-A594 HydrophobicContact SD-CB 3.68Å; A590-A594 PolarHBondContact O-N 3.47Å; K591-A594 PolarHBondContact O-N 3.42Å; A594-I597 PolarHBondContact O-N 2.93Å; A594-E598 PolarHBondContact O-N 3.22Å; A594-E598 VanDerWaalsContact O-N 3.07Å
595N93.1Very high88.1Confident80 Ų8068.5 Ų68.543%0.42837%0.369SS..Hα-helixtrans-67.4-36.5178.3-66-17.9000112.6K591 R592 K593 E598 A599K591-N595 VanDerWaalsContact O-CG 3.31Å; K591-N595 PolarHBondContact O-N 3.01Å; K591-N595 VanDerWaalsContact O-N 3.14Å; K591-N595 PolarHBondContact O-ND2 3.01Å; R592-N595 PolarHBondContact O-N 2.96Å; K593-N595 VanDerWaalsContact C-N 3.31Å; K593-N595 PolarHBondContact O-N 3.45Å; N595-E598 PolarHBondContact O-N 3.02Å; N595-A599 WeakPolarHBondContact O-CB 3.36Å; N595-A599 PolarHBondContact O-N 3.28Å
596E92.3Very high86.1Confident72 Ų7264.7 Ų64.734%0.33635%0.353SS..Hα-helixtrans-60.8-44.1174.3-76.1175.5-152.800111.6R592 K593 A599 R600R592-E596 WeakPolarHBondContact O-CG 3.45Å; R592-E596 PolarHBondContact O-N 3.31Å; K593-E596 WeakPolarHBondContact CD-OE2 3.47Å; K593-E596 IonicContact NZ-OE1 3.51Å; K593-E596 IonicContact NZ-OE2 2.81Å; K593-E596 PolarHBondContact NZ-OE2 3.24Å; K593-E596 PolarHBondContact O-N 3.07Å; E596-A599 PolarHBondContact O-N 3.33Å; E596-R600 WeakPolarHBondContact O-CG 3.3Å; E596-R600 PolarHBondContact O-N 3.39Å; E596-R600 IonicContact OE2-NH2 3.37Å; E596-R600 PolarHBondContact OE2-NH2 3.09Å
597I90.5Very high84Confident37 Ų3768.4 Ų68.419%0.1938%0.377CS..Hα-helixtrans-65.2-43.5178.5-66.6169.3000110.4R568 F571 K593 A594 R600 A601R568-I597 HydrophobicContact CB-CG2 4.2Å; F571-I597 HydrophobicContact CD2-CD1 3.62Å; F571-I597 HydrophobicContact CE2-CD1 3.44Å; F571-I597 VanDerWaalsContact CE2-CD1 3.44Å; K593-I597 WeakPolarHBondContact O-CG1 3.26Å; K593-I597 PolarHBondContact O-N 3.39Å; K593-I597 VanDerWaalsContact O-N 3.08Å; A594-I597 PolarHBondContact O-N 2.93Å; I597-R600 PolarHBondContact O-N 2.98Å; I597-A601 WeakPolarHBondContact O-CB 3.33Å; I597-A601 PolarHBondContact O-N 3.39Å
598E90Very high81.9Confident72 Ų7274.7 Ų74.734%0.33641%0.409SS..Hα-helixtrans-60.7-46.5175.8-174.1167.8-172.300112R568 A594 N595 R600 A601 I602R568-E598 IonicContact CZ-OE2 3.23Å; R568-E598 VanDerWaalsContact CZ-OE2 3.23Å; R568-E598 IonicContact NE-OE2 2.82Å; R568-E598 PolarHBondContact NE-OE2 3.5Å; R568-E598 IonicContact NH2-OE1 3.83Å; R568-E598 IonicContact NH2-OE2 2.79Å; R568-E598 PolarHBondContact NH2-OE2 3.46Å; A594-E598 PolarHBondContact O-N 3.22Å; A594-E598 VanDerWaalsContact O-N 3.07Å; N595-E598 PolarHBondContact O-N 3.02Å; E598-R600 VanDerWaalsContact C-N 3.32Å; E598-R600 PolarHBondContact O-N 3.02Å; E598-A601 PolarHBondContact O-N 3.06Å; E598-I602 HydrophobicContact CG-CD1 3.89Å; E598-I602 VanDerWaalsContact O-CG1 3.26Å; E598-I602 WeakPolarHBondContact O-CG1 3.32Å; E598-I602 PolarHBondContact O-N 3.26Å
599A89Confident79.4Confident58 Ų5878.9 Ų78.948%0.47943%0.427SS..Hα-helixtrans-61-39.9177.400000112N595 E596 A603N595-A599 WeakPolarHBondContact O-CB 3.36Å; N595-A599 PolarHBondContact O-N 3.28Å; E596-A599 PolarHBondContact O-N 3.33Å; A599-A603 VanDerWaalsContact O-CB 3.31Å; A599-A603 WeakPolarHBondContact O-CB 3.31Å; A599-A603 PolarHBondContact O-N 2.94Å
600R87.9Confident76.8Confident149 Ų14987.3 Ų87.356%0.56245%0.453SS*.Hα-helixtrans-66.2-41.9174.6-71.2178.7-149.2168.67112.2E596 I597 E598 I602 A603 G604E596-R600 WeakPolarHBondContact O-CG 3.3Å; E596-R600 PolarHBondContact O-N 3.39Å; E596-R600 IonicContact OE2-NH2 3.37Å; E596-R600 PolarHBondContact OE2-NH2 3.09Å; I597-R600 PolarHBondContact O-N 2.98Å; E598-R600 VanDerWaalsContact C-N 3.32Å; E598-R600 PolarHBondContact O-N 3.02Å; R600-I602 VanDerWaalsContact C-N 3.34Å; R600-I602 PolarHBondContact O-N 3.44Å; R600-A603 PolarHBondContact O-N 3.5Å; R600-G604 PolarHBondContact O-N 3.21Å
601A83.6Confident74.1Confident56 Ų5690 Ų9046%0.46348%0.481SS..Hα-helixtrans-62.8-41.9177.200000111.6I597 E598 N605I597-A601 WeakPolarHBondContact O-CB 3.33Å; I597-A601 PolarHBondContact O-N 3.39Å; E598-A601 PolarHBondContact O-N 3.06Å; A601-N605 WeakPolarHBondContact O-CB 3.45Å; A601-N605 PolarHBondContact O-N 2.84Å
602I83.5Confident71.5Confident110 Ų11091.6 Ų91.656%0.56450%0.499SS*.Hα-helixtrans-64.8-44.5175.3-65.7165.1000110.7E598 R600 N605 G606E598-I602 HydrophobicContact CG-CD1 3.89Å; E598-I602 VanDerWaalsContact O-CG1 3.26Å; E598-I602 WeakPolarHBondContact O-CG1 3.32Å; E598-I602 PolarHBondContact O-N 3.26Å; R600-I602 VanDerWaalsContact C-N 3.34Å; R600-I602 PolarHBondContact O-N 3.44Å; I602-N605 PolarHBondContact O-N 2.93Å; I602-G606 PolarHBondContact O-N 3.32Å
603A79.6Confident68.8Low63 Ų6389.2 Ų89.252%0.52151%0.507SS..Hα-helixtrans-65.7-39.7178.500000112.9A599 R600 G606 V607A599-A603 VanDerWaalsContact O-CB 3.31Å; A599-A603 WeakPolarHBondContact O-CB 3.31Å; A599-A603 PolarHBondContact O-N 2.94Å; R600-A603 PolarHBondContact O-N 3.5Å; A603-G606 PolarHBondContact O-N 3.44Å; A603-V607 PolarHBondContact O-N 3.37Å
604G66.3Low65.9Low40 Ų4090.3 Ų90.341%0.41253%0.529SS..Hα-helixtrans-66.3-41.5176.300000113.1R600 G606 V607 L608R600-G604 PolarHBondContact O-N 3.21Å; G604-G606 VanDerWaalsContact C-N 3.31Å; G604-G606 PolarHBondContact O-N 2.81Å; G604-V607 PolarHBondContact O-N 2.93Å; G604-L608 PolarHBondContact O-N 3.39Å
605N57.6Low62.8Low101 Ų10195.2 Ų95.254%0.5457%0.569SS.*Hα-helixtrans-67.8-29.9173.8-80.6-15.5000112.8A601 I602 V607 L608 Q609A601-N605 WeakPolarHBondContact O-CB 3.45Å; A601-N605 PolarHBondContact O-N 2.84Å; I602-N605 PolarHBondContact O-N 2.93Å; N605-V607 VanDerWaalsContact C-N 3.27Å; N605-V607 PolarHBondContact O-N 2.89Å; N605-L608 PolarHBondContact O-N 3.02Å; N605-Q609 PolarHBondContact O-N 3.33Å
606G50.9Low59.8Low35 Ų3598 Ų9836%0.36159%0.593SS.*Hα-helixtrans-65.3-25.6173.700000114.3I602 A603 G604 R610I602-G606 PolarHBondContact O-N 3.32Å; A603-G606 PolarHBondContact O-N 3.44Å; G604-G606 VanDerWaalsContact C-N 3.31Å; G604-G606 PolarHBondContact O-N 2.81Å; G606-R610 PolarHBondContact O-N 3.47Å
607V50.1Low56.7Low113 Ų11398.2 Ų98.269%0.68562%0.615SS**Hα-helixtrans-80.5-37.5175.7177.50000111.4A603 G604 N605 R610 G611A603-V607 PolarHBondContact O-N 3.37Å; G604-V607 PolarHBondContact O-N 2.93Å; N605-V607 VanDerWaalsContact C-N 3.27Å; N605-V607 PolarHBondContact O-N 2.89Å; V607-R610 PolarHBondContact O-N 3.49Å; V607-G611 PolarHBondContact O-N 3.41Å
608L46.6Very low53.9Low133 Ų133101.8 Ų101.870%0.69664%0.643SS**Hα-helixtrans-70.3-33174.3-80158.7000112.6G604 N605G604-L608 PolarHBondContact O-N 3.39Å; N605-L608 PolarHBondContact O-N 3.02Å
609Q41.4Very low51Low162 Ų162103.6 Ų103.676%0.75766%0.664SS**Hα-helixtrans-77.6-20.7175.5-74.7-174.4-2.500114.2N605N605-Q609 PolarHBondContact O-N 3.33Å
610R41.1Very low48.1Very low228 Ų228109.8 Ų109.886%0.8669%0.688SS**THydrogen-bonded Turntrans-85.5-5.7172.1-91.9-175.6-173.3-168.52.7114.4G606 V607G606-R610 PolarHBondContact O-N 3.47Å; V607-R610 PolarHBondContact O-N 3.49Å
611G36.9Very low45.3Very low58 Ų58107.7 Ų107.760%0.59870%0.696SS**SBendtrans-90.5-4.4179.500000115.7V607V607-G611 PolarHBondContact O-N 3.41Å
612T38.8Very low42.6Very low127 Ų127114.2 Ų114.278%0.77972%0.716SS**SBendtrans-102.150.3179.216.80000112.3
613S38.7Very low39.9Very low110 Ų110120.9 Ų120.977%0.76973%0.734SS**SBendtrans-160.165.815870.20000112
614A32.1Very low37.4Very low93 Ų93126.6 Ų126.677%0.76975%0.75SS**SBendtrans170.7120.4144.100000111.3
615A29.6Very low35.9Very low102 Ų102130.9 Ų130.984%0.84377%0.771SS**  trans47.6124.5146.300000121.2
616C30.2Very low34.5Very low139 Ų139133.9 Ų133.994%0.93979%0.787SS**  trans-39.7140.5158.4-67.40000114.1
617G27.3Very low33.5Very low76 Ų76143.9 Ų143.978%0.78481%0.814SS**  trans174.3102.1165.100000112.5
618S30.6Very low32.7Very low112 Ų112145.8 Ų145.878%0.78382%0.82SS**  trans-46.6142169.752.20000114.7
619S28.7Very low32.7Very low110 Ų110144.7 Ų144.777%0.76982%0.821SS**  151.5120.4118.457.10000111.5
620L28.6Very low32.2Very low189 Ų189146.9 Ų146.999%0.9983%0.828SS**  trans-79.5115.3163.3-84.4151.9000107.3
621S29Very low31.5Very low104 Ų104139 Ų13973%0.72782%0.818SS**  trans-123.6129.616663.30000110.7
622H27.4Very low31.2Very low193 Ų193143.3 Ų143.389%0.89483%0.832SS**  trans-34.4140.9168.6-81.5-92.4000114.9
623R27.2Very low30.7Very low250 Ų250140.7 Ų140.794%0.94383%0.831SS**PPolyproline II helixtrans-95.9118.2163.6-89.1-178.6167.5172-3.1109.4
624E26.4Very low31Very low184 Ų184140.7 Ų140.786%0.8683%0.828SS**PPolyproline II helixtrans-100.5156.7146-77.8-166.7152.300109.3
625P33.8Very low30.9Very low130 Ų130145.4 Ų145.484%0.84483%0.832SS**PPolyproline II helixtrans-98.1122.8175.734.1-24.5000112
626D28.3Very low30.9Very low163 Ų163145 Ų14587%0.87282%0.823SS**PPolyproline II helixtrans-73.6134164.4-109.4-24.4000110.8
627R31.3Very low30.9Very low246 Ų246142.9 Ų142.993%0.92881%0.81SS**  trans-158.6108.4143.9-102.7-172.9-169-172.72.5110.4
628D32.9Very low31.1Very low153 Ų153146.6 Ų146.682%0.81881%0.812SS**  trans-125.2154.8156.1-114.7-6.6000106.8
629P45.5Very low31.1Very low109 Ų109148.7 Ų148.771%0.70881%0.814SS**  -157.317383.338.5-17.1000118.4
630K30.8Very low31.8Very low208 Ų208148.9 Ų148.990%0.90481%0.812SS**  trans89.4129.2163.5-56-179.1179.1-178.10114.7
631G27.6Very low32.9Very low63 Ų63145 Ų14565%0.64980%0.799SS**  cis173.1171.32.100000109
632T30.9Very low33.3Very low148 Ų148146.4 Ų146.491%0.90880%0.803SS**  trans70.7102.5167.147.30000120.6
633G28.4Very low33.8Very low73 Ų73152.6 Ų152.675%0.75382%0.819SS**  91.2150.211700000119.3
634P45Very low34.1Very low109 Ų109147.8 Ų147.871%0.70881%0.813SS**  trans-108.1170.7-137.938.3-28.9000114
635F29.7Very low34.5Very low192 Ų192145.8 Ų145.884%0.84281%0.81SS**  trans176.7119.7134.7-91.1-64.1000113.9
636S30.2Very low34.6Very low94 Ų94146.7 Ų146.766%0.65781%0.808SS**  trans58.7107.3133.871.60000120.2
637S30.2Very low34.9Very low95 Ų95145.8 Ų145.866%0.66480%0.804SS**  66.4107.390.874.70000114.4
638D30.6Very low35.2Very low154 Ų154139.5 Ų139.582%0.82480%0.797SS**  164.2124.2116.3-79.6-18.8000111.8
639N30.5Very low35.3Very low156 Ų156138.6 Ų138.683%0.83480%0.795SS**  trans-95.6176.5156.9-96.5-17.3000107.3
640P43.9Very low34.6Very low113 Ų113140.7 Ų140.773%0.73480%0.801SS**  -121.7-146.9-58.639.3-19000107
641P51Low34.9Very low109 Ų109135.5 Ų135.571%0.70879%0.794SS**  -148.8169.950.936.4-11.5000117.7
642T38.2Very low35.5Very low133 Ų133141.6 Ų141.682%0.81681%0.806SS**  trans-16.5137.4154.541.70000119.1
643R37.2Very low35.9Very low323 Ų323141 Ų141100%1.21980%0.796SS**  -147.90118.7-128.1-177.2-168.9-175.83.5111.5

Retrieved 643 of 643 residues in 571.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).