A0A5K4F8S7_SCHMA Loading...

MJ1316 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8S7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 526 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.3Very low73.1Confident240 Ų24094.5 Ų94.5100%1.18249%0.491SS*.  0120.50-65.9176.8-173.200104.9D3M1-D3 PolarHBondContact O-N 2.93Å
2A40.4Very low75.2Confident103 Ų10386.7 Ų86.785%0.85145%0.45SS*.  trans-58.7124.2175.200000107E4A2-E4 PolarHBondContact O-N 3.19Å
3D46.4Very low77Confident164 Ų16480 Ų8088%0.87742%0.415SS*.  trans-65.397.8-178.1-154.814.8000107.1M1 K5M1-D3 PolarHBondContact O-N 2.93Å; D3-K5 PolarHBondContact O-N 3.32Å; D3-K5 VanDerWaalsContact O-N 3.14Å
4E59.7Low78.6Confident156 Ų15674.3 Ų74.373%0.72939%0.386SS*.  trans-64.3116.6179.8-165.6177.8175.900106.6A2A2-E4 PolarHBondContact O-N 3.19Å
5K65.5Low79.7Confident113 Ų11370.7 Ų70.749%0.49137%0.367SS..  trans-45.9127.4-178.4-179.4-174.7174.1-1690108.8D3 R7 D519D3-K5 PolarHBondContact O-N 3.32Å; D3-K5 VanDerWaalsContact O-N 3.14Å; K5-R7 PolarHBondContact O-N 2.97Å; K5-D519 IonicContact NZ-OD1 2.89Å; K5-D519 PolarHBondContact NZ-OD1 3.04Å
6P74Confident80.5Confident96 Ų9666.4 Ų66.462%0.62335%0.345SS*.PPolyproline II helixtrans-58129-179.822.8-32.4000109.3
7R89.8Confident81.1Confident140 Ų14066.1 Ų66.153%0.52834%0.338SS..PPolyproline II helixtrans-71139.9179.6-62-173.5170.3-158.9-4.7110.4K5 R294K5-R7 PolarHBondContact O-N 2.97Å; R7-R294 VanDerWaalsContact C-NH1 3.27Å; R7-R294 PolarHBondContact O-NH1 2.88Å
8R94.1Very high81.8Confident8 Ų863.9 Ų63.93%0.0333%0.328CS..PPolyproline II helixtrans-57.8132.1-177.2-67.5-178.4-173.578.95.5113L10 R294 K421 Y422 D519R8-L10 PolarHBondContact O-N 3.07Å; R8-R294 PolarHBondContact O-NH1 3.32Å; R8-R294 PolarHBondContact O-NH2 2.76Å; R8-K421 WeakPolarHBondContact CG-O 3.48Å; R8-Y422 CarbonylContact C-O 3.28Å; R8-Y422 VanDerWaalsContact C-O 3.28Å; R8-Y422 WeakPolarHBondContact CA-O 3.41Å; R8-D519 IonicContact CZ-OD1 2.9Å; R8-D519 VanDerWaalsContact NH1-CG 3.32Å; R8-D519 IonicContact NH1-OD1 3.62Å; R8-D519 PolarHBondContact NH1-OD1 2.99Å; R8-D519 VanDerWaalsContact NH1-OD1 3.15Å; R8-D519 IonicContact NH1-OD2 3.81Å; R8-D519 PolarHBondContact NH1-OD2 3.04Å; R8-D519 VanDerWaalsContact NH1-OD2 3.11Å; R8-D519 IonicContact NH2-OD1 3.69Å; R8-D519 PolarHBondContact NH2-OD1 2.88Å; R8-D519 IonicContact NH2-OD2 3.75Å
9K97.1Very high82.5Confident20 Ų2060.6 Ų60.69%0.08731%0.311CS..EExtended strand (participates in β ladder)trans-55.1132.7167.7179.7176.5-176.4-175.60110.8I11 Q295 S386 K387 Q388 Y422 I423 Q424K9-I11 HydrophobicContact CD-CD1 4.22Å; K9-I11 HydrophobicContact CG-CD1 4.19Å; K9-Q295 WeakPolarHBondContact CA-O 3.25Å; K9-Q295 HydrophobicContact CB-CB 4.05Å; K9-Q295 HydrophobicContact CD-CB 4.35Å; K9-Q295 HydrophobicContact CG-CB 3.87Å; K9-S386 WeakPolarHBondContact CE-O 3.47Å; K9-S386 PolarHBondContact NZ-O 2.92Å; K9-K387 VanDerWaalsContact NZ-C 3.34Å; K9-K387 PolarHBondContact NZ-O 2.85Å; K9-Q388 WeakPolarHBondContact CE-O 3.37Å; K9-Q388 PolarHBondContact NZ-O 3.18Å; K9-Y422 PolarHBondContact N-O 2.96Å; K9-I423 HydrophobicContact CB-CG1 4.12Å; K9-I423 WeakPolarHBondContact O-CA 2.72Å; K9-Q424 PolarHBondContact O-N 2.83Å
10L98.3Very high83.2Confident0 Ų057.6 Ų57.60%030%0.295CS..EExtended strand (participates in β ladder)trans-96.3127-179.9-65.5177.8000111.2R8 L12 L289 R294 Q295 F296 A297 Q424 I426 V511 E515R8-L10 PolarHBondContact O-N 3.07Å; L10-L12 HydrophobicContact CB-CD2 4.05Å; L10-L12 HydrophobicContact CB-CG 4.21Å; L10-L289 HydrophobicContact CD1-CD2 4Å; L10-R294 HydrophobicContact CD1-CG 3.99Å; L10-R294 HydrophobicContact CG-CG 4.34Å; L10-Q295 PolarHBondContact N-O 3.08Å; L10-F296 HydrophobicContact CB-CB 4.22Å; L10-F296 CarbonylContact O-C 3.44Å; L10-F296 WeakPolarHBondContact O-CA 3.34Å; L10-F296 WeakPolarHBondContact O-CB 3.22Å; L10-A297 PolarHBondContact O-N 3.14Å; L10-Q424 HydrophobicContact CD2-CB 4.47Å; L10-I426 HydrophobicContact CD2-CD1 4.28Å; L10-V511 HydrophobicContact CD1-CG1 3.48Å; L10-V511 VanDerWaalsContact CD1-CG1 3.48Å; L10-V511 HydrophobicContact CD2-CG1 4.34Å; L10-E515 HydrophobicContact CD2-CG 4.25Å
11I98.6Very high83.8Confident0 Ų054.8 Ų54.80%028%0.281CS..EExtended strand (participates in β ladder)trans-111.996.7170.4-50.4-61.1000107.5K9 H13 A297 F299 I423 Q424 H425 I426K9-I11 HydrophobicContact CD-CD1 4.22Å; K9-I11 HydrophobicContact CG-CD1 4.19Å; I11-H13 WeakPolarHBondContact CG2-NE2 3.34Å; I11-H13 PolarHBondContact O-CD2 3.25Å; I11-A297 HydrophobicContact CD1-CB 3.86Å; I11-F299 HydrophobicContact CG2-CD2 3.67Å; I11-F299 HydrophobicContact CG2-CE2 3.56Å; I11-I423 HydrophobicContact CG1-CG2 3.85Å; I11-Q424 PolarHBondContact N-O 3.42Å; I11-H425 HydrophobicContact CB-CB 4.45Å; I11-H425 WeakPolarHBondContact CG1-NE2 3.46Å; I11-H425 CarbonylContact O-C 3.55Å; I11-H425 WeakPolarHBondContact O-CA 3.38Å; I11-I426 PolarHBondContact O-N 3.2Å
12L98.7Very high86.2Confident0 Ų043.6 Ų43.60%023%0.226CC..EExtended strand (participates in β ladder)trans-93.5124.5-173.7-53.1180000109.4L10 F14 L285 L289 A297 I298 F299 I426 F428 V511L10-L12 HydrophobicContact CB-CD2 4.05Å; L10-L12 HydrophobicContact CB-CG 4.21Å; L12-F14 HydrophobicContact CB-CD2 4.25Å; L12-F14 HydrophobicContact CB-CE2 3.56Å; L12-F14 HydrophobicContact CB-CZ 4.33Å; L12-F14 HydrophobicContact CD1-CE2 4.21Å; L12-F14 HydrophobicContact CD1-CZ 4.45Å; L12-L285 HydrophobicContact CD1-CD2 4.02Å; L12-L289 HydrophobicContact CD1-CD1 4.03Å; L12-A297 PolarHBondContact N-O 3.2Å; L12-I298 HydrophobicContact CB-CG1 4.39Å; L12-I298 CarbonylContact O-C 3.51Å; L12-I298 VanDerWaalsContact O-CA 3.29Å; L12-I298 WeakPolarHBondContact O-CA 3.4Å; L12-F299 PolarHBondContact O-N 3.23Å; L12-I426 CarbonylContact C-O 3.57Å; L12-I426 WeakPolarHBondContact CA-O 3.49Å; L12-I426 HydrophobicContact CD2-CB 4Å; L12-I426 HydrophobicContact CD2-CD1 4.08Å; L12-I426 HydrophobicContact CD2-CG1 4.35Å; L12-F428 HydrophobicContact CD2-CE2 4.41Å; L12-V511 HydrophobicContact CD1-CG2 4.38Å; L12-V511 HydrophobicContact CD2-CG2 4.03Å
13H98.6Very high88.5Confident0 Ų038.9 Ų38.90%019%0.187CC..EExtended strand (participates in β ladder)trans-105.9132.5174.3-58.4-101.9000107.6I11 F299 R301 W385 H425 I426 L427 F428I11-H13 WeakPolarHBondContact CG2-NE2 3.34Å; I11-H13 PolarHBondContact O-CD2 3.25Å; H13-F299 CarbonylContact C-O 3.51Å; H13-F299 WeakPolarHBondContact CA-O 3.28Å; H13-F299 AromaticContact CE1-CD2 3.99Å; H13-F299 AromaticContact CE1-CG 3.92Å; H13-F299 AromaticContact ND1-CG 3.97Å; H13-R301 HydrophobicContact CB-CG 3.99Å; H13-R301 PolarHBondContact ND1-NH1 2.98Å; H13-W385 AromaticContact CE1-CE3 3.43Å; H13-W385 VanDerWaalsContact CE1-CE3 3.43Å; H13-W385 AromaticContact CE1-CZ3 3.53Å; H13-H425 AromaticContact NE2-CG 3.94Å; H13-H425 AromaticContact NE2-ND1 3.22Å; H13-H425 PolarHBondContact NE2-ND1 2.67Å; H13-I426 PolarHBondContact N-O 3.04Å; H13-L427 HydrophobicContact CB-CB 4.1Å; H13-L427 HydrophobicContact CB-CD1 3.36Å; H13-L427 HydrophobicContact CB-CG 4.33Å; H13-L427 CarbonylContact O-C 3.56Å; H13-L427 WeakPolarHBondContact O-CA 3.36Å; H13-F428 PolarHBondContact O-N 2.87Å
14F98.4Very high90.3Very high0 Ų031 Ų310%015%0.145CC..EExtended strand (participates in β ladder)trans-125.2125.9178-72.8-89.1000109.5L12 T19 L20 F282 L285 I298 F299 R301 F428 F507L12-F14 HydrophobicContact CB-CD2 4.25Å; L12-F14 HydrophobicContact CB-CE2 3.56Å; L12-F14 HydrophobicContact CB-CZ 4.33Å; L12-F14 HydrophobicContact CD1-CE2 4.21Å; L12-F14 HydrophobicContact CD1-CZ 4.45Å; F14-T19 HydrophobicContact CD1-CG2 3.99Å; F14-L20 HydrophobicContact CB-CD1 3.75Å; F14-L20 HydrophobicContact CB-CD2 4.14Å; F14-L20 HydrophobicContact CB-CG 3.98Å; F14-L20 HydrophobicContact CD1-CD2 3.68Å; F14-L20 HydrophobicContact CD1-CG 4.31Å; F14-L20 HydrophobicContact CE1-CD2 4.31Å; F14-L20 HydrophobicContact CG-CD1 4.37Å; F14-L20 HydrophobicContact CG-CD2 3.97Å; F14-L20 HydrophobicContact CG-CG 4.36Å; F14-F282 HydrophobicContact CD2-CE2 4.11Å; F14-F282 HydrophobicContact CE1-CD2 4.36Å; F14-F282 HydrophobicContact CE1-CE2 4.47Å; F14-F282 AromaticContact CE2-CE2 3.92Å; F14-F282 HydrophobicContact CE2-CE2 3.92Å; F14-F282 HydrophobicContact CG-CE2 4.46Å; F14-F282 HydrophobicContact CZ-CD2 4.29Å; F14-F282 HydrophobicContact CZ-CE2 4.13Å; F14-L285 HydrophobicContact CE1-CD2 4.49Å; F14-L285 HydrophobicContact CE2-CD2 4.17Å; F14-L285 HydrophobicContact CZ-CD2 3.54Å; F14-I298 HydrophobicContact CD2-CG2 3.88Å; F14-I298 HydrophobicContact CE2-CG2 4.21Å; F14-F299 PolarHBondContact N-O 3.33Å; F14-R301 PolarHBondContact O-N 2.87Å; F14-F428 HydrophobicContact CD1-CB 3.69Å; F14-F428 HydrophobicContact CD1-CD2 4.07Å; F14-F428 HydrophobicContact CD1-CG 4.05Å; F14-F428 HydrophobicContact CE1-CB 3.88Å; F14-F428 HydrophobicContact CE1-CD1 4.46Å; F14-F428 AromaticContact CE1-CD2 3.56Å; F14-F428 HydrophobicContact CE1-CD2 3.56Å; F14-F428 HydrophobicContact CE1-CE2 4.22Å; F14-F428 AromaticContact CE1-CG 3.7Å; F14-F428 HydrophobicContact CE1-CG 3.7Å; F14-F428 HydrophobicContact CE2-CD2 4.4Å; F14-F428 HydrophobicContact CG-CB 4.48Å; F14-F428 AromaticContact CZ-CD2 3.74Å; F14-F428 HydrophobicContact CZ-CD2 3.74Å; F14-F428 HydrophobicContact CZ-CE2 4.07Å; F14-F428 HydrophobicContact CZ-CG 4.35Å; F14-F507 HydrophobicContact CD1-CE1 4.26Å; F14-F507 AromaticContact CE1-CD1 3.68Å; F14-F507 HydrophobicContact CE1-CD1 3.68Å; F14-F507 AromaticContact CE1-CE1 3.64Å; F14-F507 HydrophobicContact CE1-CE1 3.64Å; F14-F507 HydrophobicContact CE1-CG 4.23Å; F14-F507 HydrophobicContact CE1-CZ 4.15Å; F14-F507 HydrophobicContact CZ-CD1 4.39Å
15D95.4Very high91.4Very high20 Ų2024.1 Ų24.111%0.10711%0.112CC..EExtended strand (participates in β ladder)trans-59.2155.7153.3-173.457.2000110.7R17 T19 L20 R301 K412 F428 D429D15-R17 PolarHBondContact OD2-N 3.43Å; D15-R17 VanDerWaalsContact OD2-N 3.1Å; D15-T19 WeakPolarHBondContact O-CB 3.35Å; D15-L20 WeakPolarHBondContact O-CG 3.49Å; D15-R301 WeakPolarHBondContact CA-O 3.45Å; D15-K412 VanDerWaalsContact CB-NZ 3.34Å; D15-K412 VanDerWaalsContact CG-NZ 3.26Å; D15-K412 IonicContact OD1-NZ 3.43Å; D15-K412 PolarHBondContact OD1-NZ 3.48Å; D15-F428 PolarHBondContact N-O 3.1Å; D15-D429 HydrophobicContact CB-CB 3.82Å; D15-D429 VanDerWaalsContact CB-CG 3.48Å; D15-D429 WeakPolarHBondContact CB-OD2 3.36Å
16A93.5Very high91.8Very high2 Ų221.8 Ų21.82%0.01711%0.11CC..SBendtrans-84.6-63.2-178.600000112.5L20 F21 I310A16-L20 WeakPolarHBondContact O-CB 3.38Å; A16-L20 PolarHBondContact O-N 3.25Å; A16-F21 HydrophobicContact CB-CD1 4.46Å; A16-F21 HydrophobicContact CB-CE1 3.71Å; A16-F21 HydrophobicContact CB-CZ 4.21Å; A16-F21 PolarHBondContact O-N 3.48Å; A16-F21 VanDerWaalsContact O-N 3.15Å; A16-I310 HydrophobicContact CB-CD1 3.87Å
17R90.7Very high91.5Very high61 Ų6119 Ų1923%0.239%0.087CC..BIsolated β-bridgetrans-81.7142.8-168-175.1176.2-59.8143.419.2110.3D15 T19 F21 Y124D15-R17 PolarHBondContact OD2-N 3.43Å; D15-R17 VanDerWaalsContact OD2-N 3.1Å; R17-T19 PolarHBondContact O-N 3.32Å; R17-F21 CarbonylContact C-O 3.55Å; R17-F21 WeakPolarHBondContact CA-O 3.39Å; R17-F21 HydrophobicContact CB-CE2 4.34Å; R17-F21 HydrophobicContact CG-CE2 4.47Å; R17-Y124 PolarHBondContact NE-OH 3.43Å; R17-Y124 PolarHBondContact NH1-OH 2.77Å; R17-Y124 PolarHBondContact NH2-OH 3.07Å
18N92.5Very high90.9Very high28 Ų2815 Ų1515%0.157%0.072CC..THydrogen-bonded Turntrans58-2.8-175-58-23.2000115.3F21 Y38 D430 L497N18-F21 PolarHBondContact N-O 2.82Å; N18-Y38 HydrophobicContact CB-CD2 4.09Å; N18-Y38 HydrophobicContact CB-CE2 4.27Å; N18-D430 HydrophobicContact CB-CB 4.1Å; N18-D430 VanDerWaalsContact CB-CG 3.48Å; N18-D430 WeakPolarHBondContact CB-OD2 3.27Å; N18-D430 PolarHBondContact ND2-OD2 3.29Å; N18-L497 HydrophobicContact CB-CD2 4.5Å; N18-L497 VanDerWaalsContact O-CD1 3.29Å; N18-L497 WeakPolarHBondContact O-CD1 3.2Å
19T95.9Very high90.2Very high0 Ų015 Ų150%07%0.072CC..THydrogen-bonded Turntrans-108.1-55.4174.3-59.30000110.1F14 D15 R17 F428 D430 A495 F507F14-T19 HydrophobicContact CD1-CG2 3.99Å; D15-T19 WeakPolarHBondContact O-CB 3.35Å; R17-T19 PolarHBondContact O-N 3.32Å; T19-F428 HydrophobicContact CG2-CB 3.94Å; T19-D430 PolarHBondContact OG1-N 3.3Å; T19-A495 HydrophobicContact CG2-CB 3.94Å; T19-F507 HydrophobicContact CG2-CE1 4.42Å
20L96.8Very high89.8Confident0 Ų014.2 Ų14.20%07%0.069CC..THydrogen-bonded Turntrans-98.9-35.8178.3-65-179.7000113.3F14 D15 A16 L278 M279 F282 I300 I310F14-L20 HydrophobicContact CB-CD1 3.75Å; F14-L20 HydrophobicContact CB-CD2 4.14Å; F14-L20 HydrophobicContact CB-CG 3.98Å; F14-L20 HydrophobicContact CD1-CD2 3.68Å; F14-L20 HydrophobicContact CD1-CG 4.31Å; F14-L20 HydrophobicContact CE1-CD2 4.31Å; F14-L20 HydrophobicContact CG-CD1 4.37Å; F14-L20 HydrophobicContact CG-CD2 3.97Å; F14-L20 HydrophobicContact CG-CG 4.36Å; D15-L20 WeakPolarHBondContact O-CG 3.49Å; A16-L20 WeakPolarHBondContact O-CB 3.38Å; A16-L20 PolarHBondContact O-N 3.25Å; L20-L278 HydrophobicContact CB-CD2 4.45Å; L20-L278 CarbonylContact O-C 3.55Å; L20-L278 VanDerWaalsContact O-CA 3.28Å; L20-L278 WeakPolarHBondContact O-CA 3.41Å; L20-M279 WeakPolarHBondContact O-CG 3.29Å; L20-M279 PolarHBondContact O-N 2.97Å; L20-F282 HydrophobicContact CD2-CB 4.03Å; L20-F282 HydrophobicContact CD2-CD1 4.04Å; L20-F282 HydrophobicContact CD2-CD2 3.32Å; L20-F282 HydrophobicContact CD2-CE1 4.33Å; L20-F282 HydrophobicContact CD2-CE2 3.66Å; L20-F282 HydrophobicContact CD2-CG 3.52Å; L20-F282 HydrophobicContact CD2-CZ 4.15Å; L20-I300 HydrophobicContact CD1-CD1 3.67Å; L20-I310 HydrophobicContact CD1-CD1 4.26Å; L20-I310 HydrophobicContact CD1-CG2 4.36Å
21F94.3Very high89.5Confident0 Ų014.3 Ų14.30%07%0.07CC..BIsolated β-bridgetrans-144.4156.4178.968.1-104.2000112A16 R17 N18 S23 D24 Y277 L278 D306 I310A16-F21 HydrophobicContact CB-CD1 4.46Å; A16-F21 HydrophobicContact CB-CE1 3.71Å; A16-F21 HydrophobicContact CB-CZ 4.21Å; A16-F21 PolarHBondContact O-N 3.48Å; A16-F21 VanDerWaalsContact O-N 3.15Å; R17-F21 CarbonylContact C-O 3.55Å; R17-F21 WeakPolarHBondContact CA-O 3.39Å; R17-F21 HydrophobicContact CB-CE2 4.34Å; R17-F21 HydrophobicContact CG-CE2 4.47Å; N18-F21 PolarHBondContact N-O 2.82Å; F21-S23 VanDerWaalsContact CD2-C 3.5Å; F21-S23 VanDerWaalsContact CD2-O 3.27Å; F21-S23 WeakPolarHBondContact CD2-O 3.02Å; F21-D24 HydrophobicContact CE2-CB 4.08Å; F21-D24 HydrophobicContact CZ-CB 4.45Å; F21-Y277 WeakPolarHBondContact CA-O 3.31Å; F21-Y277 HydrophobicContact CB-CD2 4.07Å; F21-Y277 HydrophobicContact CB-CE2 3.92Å; F21-Y277 WeakPolarHBondContact CB-O 3.48Å; F21-Y277 AromaticContact CD1-CE2 3.87Å; F21-Y277 HydrophobicContact CD1-CE2 3.87Å; F21-Y277 AromaticContact CD1-CZ 3.97Å; F21-Y277 HydrophobicContact CD2-CE2 4.11Å; F21-Y277 HydrophobicContact CE1-CE2 4.37Å; F21-Y277 HydrophobicContact CG-CD2 4.36Å; F21-Y277 AromaticContact CG-CE2 3.73Å; F21-Y277 HydrophobicContact CG-CE2 3.73Å; F21-L278 HydrophobicContact CB-CD2 4.13Å; F21-L278 HydrophobicContact CD1-CD2 4.2Å; F21-D306 HydrophobicContact CE1-CB 3.77Å; F21-D306 HydrophobicContact CZ-CB 3.8Å; F21-D306 WeakPolarHBondContact CZ-OD1 3.39Å; F21-I310 HydrophobicContact CD1-CD1 4.15Å; F21-I310 HydrophobicContact CD1-CG1 4.24Å; F21-I310 HydrophobicContact CE1-CD1 3.89Å; F21-I310 HydrophobicContact CE1-CG1 4.22Å
22L91.4Very high89.3Confident5 Ų515 Ų153%0.0267%0.073CC..SBendtrans-88.8-49.6172-7686.4000112.7I31 A34 L35 L211 M279 L497L22-I31 HydrophobicContact CB-CG1 4.12Å; L22-I31 HydrophobicContact CD2-CG1 4.24Å; L22-A34 HydrophobicContact CB-CB 4Å; L22-A34 WeakPolarHBondContact O-CB 3.38Å; L22-L35 HydrophobicContact CD2-CB 3.69Å; L22-L35 HydrophobicContact CD2-CD1 4.02Å; L22-L35 HydrophobicContact CD2-CG 4.36Å; L22-L211 HydrophobicContact CD1-CD1 3.83Å; L22-L211 HydrophobicContact CD1-CD2 4.09Å; L22-L211 HydrophobicContact CD2-CD1 3.97Å; L22-M279 HydrophobicContact CD1-CE 3.36Å; L22-M279 HydrophobicContact CD1-SD 4.09Å; L22-L497 HydrophobicContact CD1-CD1 3.73Å; L22-L497 HydrophobicContact CD2-CD2 3.97Å; L22-L497 HydrophobicContact CG-CD1 3.97Å; L22-L497 HydrophobicContact CG-CD2 3.98Å
23S88.9Confident89Confident3 Ų316.6 Ų16.62%0.0218%0.08CC..SBendtrans-110133.9-174.1179.40000110.9F21 F29 Y277F21-S23 VanDerWaalsContact CD2-C 3.5Å; F21-S23 VanDerWaalsContact CD2-O 3.27Å; F21-S23 WeakPolarHBondContact CD2-O 3.02Å; S23-F29 PolarHBondContact OG-O 3.42Å; S23-Y277 WeakPolarHBondContact O-CE2 3.38Å
24D83.1Confident88.7Confident0 Ų017 Ų170%08%0.084CC..  trans-72.5165.4173.268.936.6000112F21 S26 Y27 R28 Y124 D306F21-D24 HydrophobicContact CE2-CB 4.08Å; F21-D24 HydrophobicContact CZ-CB 4.45Å; D24-S26 VanDerWaalsContact C-N 3.25Å; D24-S26 VanDerWaalsContact OD1-C 3.27Å; D24-S26 WeakPolarHBondContact OD1-CA 3.33Å; D24-S26 WeakPolarHBondContact OD1-CB 3.5Å; D24-S26 PolarHBondContact OD1-N 3.46Å; D24-Y27 PolarHBondContact OD1-N 3.43Å; D24-R28 PolarHBondContact OD1-N 2.86Å; D24-R28 VanDerWaalsContact OD1-N 3.15Å; D24-R28 WeakPolarHBondContact OD2-CB 3.12Å; D24-R28 WeakPolarHBondContact OD2-CD 3.33Å; D24-Y124 WeakPolarHBondContact OD2-CE1 3.41Å; D24-Y124 PolarHBondContact OD2-OH 3.13Å; D24-Y124 VanDerWaalsContact OD2-OH 3.12Å; D24-D306 WeakPolarHBondContact CB-OD1 3.32Å
25K83.3Confident88.6Confident11 Ų1117 Ų175%0.0488%0.084CC..THydrogen-bonded Turntrans-77.4-12.3175-69.6-67-178.4-178.30113.6Y27 Y223 C224 C226 V227 Y277 H309K25-Y27 WeakPolarHBondContact O-CD2 3.43Å; K25-Y27 PolarHBondContact O-N 3.33Å; K25-Y223 HydrophobicContact CD-CE1 4.14Å; K25-Y223 PolarHBondContact NZ-O 3.09Å; K25-Y223 PolarHBondContact O-OH 2.89Å; K25-C224 WeakPolarHBondContact CE-O 3.49Å; K25-C224 VanDerWaalsContact NZ-C 3.35Å; K25-C224 PolarHBondContact NZ-O 3.3Å; K25-C224 VanDerWaalsContact NZ-O 3.12Å; K25-C226 PolarHBondContact NZ-O 2.97Å; K25-V227 HydrophobicContact CD-CG1 4.1Å; K25-Y277 HydrophobicContact CD-CD2 4.3Å; K25-Y277 HydrophobicContact CD-CE2 4.45Å; K25-Y277 HydrophobicContact CD-CG 4.4Å; K25-Y277 HydrophobicContact CG-CD2 4.37Å; K25-Y277 HydrophobicContact CG-CE1 4.31Å; K25-Y277 HydrophobicContact CG-CE2 4.02Å; K25-H309 HydrophobicContact CG-CB 3.97Å
26S74.6Confident88.6Confident63 Ų6316.1 Ų16.144%0.4418%0.079SC..THydrogen-bonded Turntrans-82.41.1177.7-57.70000112.3D24 R28D24-S26 VanDerWaalsContact C-N 3.25Å; D24-S26 VanDerWaalsContact OD1-C 3.27Å; D24-S26 WeakPolarHBondContact OD1-CA 3.33Å; D24-S26 WeakPolarHBondContact OD1-CB 3.5Å; D24-S26 PolarHBondContact OD1-N 3.46Å; S26-R28 PolarHBondContact O-N 3.05Å; S26-R28 VanDerWaalsContact O-N 3.11Å
27Y67.8Low88.6Confident38 Ų3816.8 Ų16.815%0.1498%0.082CC..  trans50.732.9-178.4-62.8-79.1000113.4D24 K25 F29 Y223 N228D24-Y27 PolarHBondContact OD1-N 3.43Å; K25-Y27 WeakPolarHBondContact O-CD2 3.43Å; K25-Y27 PolarHBondContact O-N 3.33Å; Y27-F29 VanDerWaalsContact C-N 3.3Å; Y27-Y223 HydrophobicContact CE2-CE2 4.41Å; Y27-Y223 WeakPolarHBondContact CE2-OH 3.42Å; Y27-Y223 WeakPolarHBondContact OH-CE2 3.17Å; Y27-Y223 PolarHBondContact OH-OH 2.77Å; Y27-N228 HydrophobicContact CE1-CB 3.98Å
28R76.2Confident88.8Confident55 Ų5514.4 Ų14.421%0.2087%0.074CC..SBendtrans-67.2-39.7178.3-62.8-178.9-175.5151.72.7110.6D24 S26 Q122 Y124D24-R28 PolarHBondContact OD1-N 2.86Å; D24-R28 VanDerWaalsContact OD1-N 3.15Å; D24-R28 WeakPolarHBondContact OD2-CB 3.12Å; D24-R28 WeakPolarHBondContact OD2-CD 3.33Å; S26-R28 PolarHBondContact O-N 3.05Å; S26-R28 VanDerWaalsContact O-N 3.11Å; R28-Q122 WeakPolarHBondContact CB-O 2.91Å; R28-Q122 WeakPolarHBondContact CG-O 3.17Å; R28-Y124 HydrophobicContact CB-CE1 4.41Å
29F80.8Confident89Confident8 Ų813.1 Ų13.14%0.0357%0.067CC..SBendtrans-132.7141.3172.4-69.1-89.5000108.4S23 Y27 E33 Y124 F129 R185S23-F29 PolarHBondContact OG-O 3.42Å; Y27-F29 VanDerWaalsContact C-N 3.3Å; F29-E33 WeakPolarHBondContact CA-OE2 3.45Å; F29-E33 HydrophobicContact CB-CB 4.48Å; F29-E33 HydrophobicContact CD1-CB 4.34Å; F29-Y124 HydrophobicContact CD2-CD2 4.24Å; F29-Y124 AromaticContact CD2-CE2 3.34Å; F29-Y124 HydrophobicContact CD2-CE2 3.34Å; F29-Y124 AromaticContact CD2-CZ 3.69Å; F29-Y124 WeakPolarHBondContact CD2-OH 3.5Å; F29-Y124 AromaticContact CE2-CD2 3.61Å; F29-Y124 HydrophobicContact CE2-CD2 3.61Å; F29-Y124 AromaticContact CE2-CE2 3.14Å; F29-Y124 HydrophobicContact CE2-CE2 3.14Å; F29-Y124 AromaticContact CE2-CZ 3.93Å; F29-Y124 HydrophobicContact CZ-CE2 4.27Å; F29-F129 AromaticContact CE1-CE2 3.77Å; F29-F129 HydrophobicContact CE1-CE2 3.77Å; F29-F129 HydrophobicContact CE1-CZ 4.16Å; F29-F129 AromaticContact CZ-CE2 3.65Å; F29-F129 HydrophobicContact CZ-CE2 3.65Å; F29-F129 HydrophobicContact CZ-CZ 4.33Å; F29-R185 HydrophobicContact CD1-CB 4.43Å; F29-R185 HydrophobicContact CE1-CB 3.47Å; F29-R185 VanDerWaalsContact CE1-CB 3.47Å; F29-R185 HydrophobicContact CZ-CB 3.68Å
30T88.5Confident88.9Confident4 Ų413.1 Ų13.13%0.0257%0.067CC..  trans-81.2166.2177.379.20000110.1E32 E33 A34T30-E32 WeakPolarHBondContact CB-OE2 3.45Å; T30-E32 PolarHBondContact O-N 3.02Å; T30-E32 PolarHBondContact OG1-N 3.42Å; T30-E32 PolarHBondContact OG1-OE2 2.88Å; T30-E33 PolarHBondContact N-OE2 3.31Å; T30-E33 PolarHBondContact O-N 3.22Å; T30-E33 PolarHBondContact OG1-N 3.15Å; T30-A34 WeakPolarHBondContact O-CB 3.2Å; T30-A34 PolarHBondContact O-N 3.22Å
31I91.8Very high88.7Confident2 Ų213.7 Ų13.71%0.017%0.072CC..Hα-helixtrans-61.3-35.6177.7-163.8166.3000112.3L22 L35 L208 L211 V227 Y275L22-I31 HydrophobicContact CB-CG1 4.12Å; L22-I31 HydrophobicContact CD2-CG1 4.24Å; I31-L35 WeakPolarHBondContact O-CB 3.28Å; I31-L35 PolarHBondContact O-N 2.99Å; I31-L208 HydrophobicContact CG2-CD1 3.97Å; I31-L211 HydrophobicContact CD1-CB 4.1Å; I31-L211 HydrophobicContact CD1-CD1 3.9Å; I31-L211 HydrophobicContact CD1-CG 4.48Å; I31-L211 HydrophobicContact CG1-CD1 4.3Å; I31-V227 HydrophobicContact CD1-CG2 4.38Å; I31-Y275 HydrophobicContact CD1-CD1 3.86Å; I31-Y275 HydrophobicContact CD1-CD2 4.3Å; I31-Y275 HydrophobicContact CD1-CG 3.57Å; I31-Y275 HydrophobicContact CG2-CD1 4.31Å; I31-Y275 HydrophobicContact CG2-CD2 3.55Å; I31-Y275 HydrophobicContact CG2-CE1 4.44Å; I31-Y275 HydrophobicContact CG2-CE2 3.67Å; I31-Y275 HydrophobicContact CG2-CG 3.89Å
32E93.6Very high88.7Confident16 Ų1613.9 Ų13.98%0.0757%0.073CC..Hα-helixtrans-65.7-45.2175.7-57.986.617000111.3T30 N36 F204 L208 S229 G230T30-E32 WeakPolarHBondContact CB-OE2 3.45Å; T30-E32 PolarHBondContact O-N 3.02Å; T30-E32 PolarHBondContact OG1-N 3.42Å; T30-E32 PolarHBondContact OG1-OE2 2.88Å; E32-N36 WeakPolarHBondContact O-CB 3.46Å; E32-N36 PolarHBondContact O-N 2.94Å; E32-N36 PolarHBondContact O-ND2 3.35Å; E32-N36 VanDerWaalsContact O-ND2 3.11Å; E32-F204 HydrophobicContact CB-CZ 3.98Å; E32-F204 HydrophobicContact CG-CZ 4.29Å; E32-F204 WeakPolarHBondContact O-CE2 3.46Å; E32-L208 HydrophobicContact CG-CD1 4.32Å; E32-L208 HydrophobicContact CG-CD2 4.09Å; E32-S229 WeakPolarHBondContact OE1-CB 3.47Å; E32-S229 PolarHBondContact OE1-OG 2.66Å; E32-G230 PolarHBondContact OE1-N 3.12Å; E32-G230 PolarHBondContact OE2-N 2.67Å
33E92.7Very high88.8Confident32 Ų3213.6 Ų13.615%0.157%0.072CC..Hα-helixtrans-63.7-43.9178-69.3168.7160.500111.1F29 T30 N37 R121 G189F29-E33 WeakPolarHBondContact CA-OE2 3.45Å; F29-E33 HydrophobicContact CB-CB 4.48Å; F29-E33 HydrophobicContact CD1-CB 4.34Å; T30-E33 PolarHBondContact N-OE2 3.31Å; T30-E33 PolarHBondContact O-N 3.22Å; T30-E33 PolarHBondContact OG1-N 3.15Å; E33-N37 WeakPolarHBondContact O-CB 3.48Å; E33-N37 PolarHBondContact O-N 3Å; E33-N37 PolarHBondContact O-ND2 3.23Å; E33-R121 IonicContact OE1-NH1 3.36Å; E33-R121 PolarHBondContact OE1-NH1 3.34Å; E33-R121 IonicContact OE2-NH1 2.68Å; E33-G189 WeakPolarHBondContact CA-O 3.4Å
34A92.6Very high89Confident9 Ų914 Ų147%0.0747%0.073CC..Hα-helixtrans-63.4-46178.500000112.1L22 T30 N37 Y38L22-A34 HydrophobicContact CB-CB 4Å; L22-A34 WeakPolarHBondContact O-CB 3.38Å; T30-A34 WeakPolarHBondContact O-CB 3.2Å; T30-A34 PolarHBondContact O-N 3.22Å; A34-N37 WeakPolarHBondContact O-CB 3.27Å; A34-N37 PolarHBondContact O-N 3.22Å; A34-Y38 PolarHBondContact O-N 2.9Å
35L95.6Very high89.5Confident0 Ų014 Ų140%07%0.073CC..Hα-helixtrans-66-41.9179.2-177.959.3000111.9L22 I31 N37 Y38 I39 F204 H207 L208 L497 L498 I501L22-L35 HydrophobicContact CD2-CB 3.69Å; L22-L35 HydrophobicContact CD2-CD1 4.02Å; L22-L35 HydrophobicContact CD2-CG 4.36Å; I31-L35 WeakPolarHBondContact O-CB 3.28Å; I31-L35 PolarHBondContact O-N 2.99Å; L35-N37 VanDerWaalsContact C-N 3.34Å; L35-N37 PolarHBondContact O-N 2.88Å; L35-Y38 PolarHBondContact O-N 3.35Å; L35-I39 HydrophobicContact CD1-CD1 4.23Å; L35-I39 HydrophobicContact CD1-CG1 4.36Å; L35-I39 HydrophobicContact CG-CD1 4.08Å; L35-I39 WeakPolarHBondContact O-CG1 3.27Å; L35-I39 PolarHBondContact O-N 3.32Å; L35-F204 HydrophobicContact CB-CD2 4.19Å; L35-F204 HydrophobicContact CB-CE2 3.93Å; L35-F204 HydrophobicContact CD2-CD2 3.65Å; L35-F204 HydrophobicContact CD2-CE2 3.84Å; L35-F204 HydrophobicContact CD2-CG 4.37Å; L35-F204 HydrophobicContact CG-CD2 3.72Å; L35-F204 HydrophobicContact CG-CE2 3.96Å; L35-H207 HydrophobicContact CD1-CB 4.44Å; L35-H207 HydrophobicContact CD2-CB 4.06Å; L35-L208 HydrophobicContact CD2-CB 4.1Å; L35-L497 HydrophobicContact CD1-CD2 4.42Å; L35-L498 HydrophobicContact CD1-CD2 4.16Å; L35-I501 HydrophobicContact CD1-CD1 4.33Å
36N96.1Very high90Very high1 Ų117.1 Ų17.11%0.0059%0.088CC..Hα-helixtrans-60.5-43.9174.1-86.4-50.7000112.2E32 I39 S40 L188 G189 F191 T192 F204E32-N36 WeakPolarHBondContact O-CB 3.46Å; E32-N36 PolarHBondContact O-N 2.94Å; E32-N36 PolarHBondContact O-ND2 3.35Å; E32-N36 VanDerWaalsContact O-ND2 3.11Å; N36-I39 PolarHBondContact O-N 2.94Å; N36-S40 PolarHBondContact O-N 3.07Å; N36-L188 WeakPolarHBondContact CB-O 3.4Å; N36-G189 VanDerWaalsContact CB-O 3.29Å; N36-G189 WeakPolarHBondContact CB-O 3.24Å; N36-G189 PolarHBondContact ND2-O 3.03Å; N36-F191 HydrophobicContact CB-CB 4.12Å; N36-T192 VanDerWaalsContact OD1-CB 3.29Å; N36-T192 WeakPolarHBondContact OD1-CB 3.39Å; N36-T192 WeakPolarHBondContact OD1-CG2 3.35Å; N36-T192 PolarHBondContact OD1-N 2.89Å; N36-T192 VanDerWaalsContact OD1-N 3.12Å; N36-T192 PolarHBondContact OD1-OG1 2.72Å; N36-F204 HydrophobicContact CB-CE2 4.44Å; N36-F204 WeakPolarHBondContact ND2-CE2 3.42Å; N36-F204 WeakPolarHBondContact OD1-CD2 3.39Å
37N93.8Very high90.8Very high16 Ų1617.3 Ų17.39%0.0868%0.083CC..Hα-helixtrans-58.6-47.4174.9-90.5-81.9000111.4E33 A34 L35 S40 G41 R185 G189E33-N37 WeakPolarHBondContact O-CB 3.48Å; E33-N37 PolarHBondContact O-N 3Å; E33-N37 PolarHBondContact O-ND2 3.23Å; A34-N37 WeakPolarHBondContact O-CB 3.27Å; A34-N37 PolarHBondContact O-N 3.22Å; L35-N37 VanDerWaalsContact C-N 3.34Å; L35-N37 PolarHBondContact O-N 2.88Å; N37-S40 PolarHBondContact O-N 3.08Å; N37-S40 PolarHBondContact O-OG 2.98Å; N37-G41 PolarHBondContact O-N 2.88Å; N37-R185 PolarHBondContact ND2-O 3.33Å; N37-R185 VanDerWaalsContact OD1-CA 3.27Å; N37-R185 WeakPolarHBondContact OD1-CA 3.47Å; N37-G189 WeakPolarHBondContact ND2-CA 3.49Å; N37-G189 PolarHBondContact ND2-N 2.87Å
38Y94.7Very high91.6Very high12 Ų1219.1 Ų19.15%0.0479%0.092CC..Hα-helixtrans-59.4-49.8177.9-175.2-90.8000112N18 A34 L35 S40 G41 I42 I156 D430 L497 L498N18-Y38 HydrophobicContact CB-CD2 4.09Å; N18-Y38 HydrophobicContact CB-CE2 4.27Å; A34-Y38 PolarHBondContact O-N 2.9Å; L35-Y38 PolarHBondContact O-N 3.35Å; Y38-S40 VanDerWaalsContact C-N 3.28Å; Y38-S40 PolarHBondContact O-N 3.13Å; Y38-G41 WeakPolarHBondContact O-CA 3.24Å; Y38-G41 PolarHBondContact O-N 2.91Å; Y38-I42 HydrophobicContact CD1-CD1 4.26Å; Y38-I42 HydrophobicContact CE1-CD1 3.9Å; Y38-I42 HydrophobicContact CE1-CG2 4.11Å; Y38-I156 WeakPolarHBondContact OH-CD1 3.35Å; Y38-I156 WeakPolarHBondContact OH-CG1 3.19Å; Y38-D430 HydrophobicContact CE2-CB 4.49Å; Y38-L497 HydrophobicContact CD1-CB 3.97Å; Y38-L497 HydrophobicContact CD1-CD2 3.68Å; Y38-L497 HydrophobicContact CD1-CG 4.35Å; Y38-L497 HydrophobicContact CD2-CB 3.9Å; Y38-L497 HydrophobicContact CD2-CD2 3.57Å; Y38-L497 HydrophobicContact CD2-CG 4.38Å; Y38-L497 HydrophobicContact CE1-CB 3.56Å; Y38-L497 HydrophobicContact CE1-CD2 4.19Å; Y38-L497 HydrophobicContact CE1-CG 4.4Å; Y38-L497 HydrophobicContact CE2-CB 3.47Å; Y38-L497 VanDerWaalsContact CE2-CB 3.47Å; Y38-L497 HydrophobicContact CE2-CD2 4.08Å; Y38-L497 HydrophobicContact CE2-CG 4.41Å; Y38-L497 HydrophobicContact CG-CB 4.13Å; Y38-L497 HydrophobicContact CG-CD2 3.33Å; Y38-L497 HydrophobicContact CG-CG 4.34Å; Y38-L497 PolarHBondContact OH-N 3.44Å; Y38-L497 VanDerWaalsContact OH-N 3.07Å; Y38-L498 HydrophobicContact CD1-CD2 4.37Å; Y38-L498 HydrophobicContact CD1-CG 4.44Å; Y38-L498 HydrophobicContact CE1-CD2 4.42Å; Y38-L498 HydrophobicContact CE1-CG 4.03Å
39I96.1Very high91.3Very high0 Ų022.6 Ų22.60%012%0.115CC..Hα-helixtrans-56.7-44.8179.7-68.3170.3000110.1L35 N36 G41 I42 V43 F191 F200 F204L35-I39 HydrophobicContact CD1-CD1 4.23Å; L35-I39 HydrophobicContact CD1-CG1 4.36Å; L35-I39 HydrophobicContact CG-CD1 4.08Å; L35-I39 WeakPolarHBondContact O-CG1 3.27Å; L35-I39 PolarHBondContact O-N 3.32Å; N36-I39 PolarHBondContact O-N 2.94Å; I39-G41 PolarHBondContact O-N 3.21Å; I39-G41 VanDerWaalsContact O-N 3.07Å; I39-I42 WeakPolarHBondContact O-CG1 3.38Å; I39-I42 PolarHBondContact O-N 2.89Å; I39-V43 HydrophobicContact CG2-CG2 4.1Å; I39-V43 WeakPolarHBondContact O-CG2 3.46Å; I39-V43 PolarHBondContact O-N 3.48Å; I39-F191 HydrophobicContact CG2-CD1 4.17Å; I39-F191 HydrophobicContact CG2-CE1 3.95Å; I39-F200 HydrophobicContact CG2-CB 4.06Å; I39-F200 HydrophobicContact CG2-CG 4.39Å; I39-F204 HydrophobicContact CD1-CB 3.74Å; I39-F204 HydrophobicContact CD1-CD2 4.04Å; I39-F204 HydrophobicContact CD1-CG 4.41Å
40S94.6Very high90.2Very high0 Ų028.2 Ų28.20%014%0.141CC..Hα-helixtrans-58.8-24.5178.877.50000114.2N36 N37 Y38 Y167 L188N36-S40 PolarHBondContact O-N 3.07Å; N37-S40 PolarHBondContact O-N 3.08Å; N37-S40 PolarHBondContact O-OG 2.98Å; Y38-S40 VanDerWaalsContact C-N 3.28Å; Y38-S40 PolarHBondContact O-N 3.13Å; S40-Y167 PolarHBondContact O-N 3.29Å; S40-L188 WeakPolarHBondContact OG-CD1 3.15Å
41G93.2Very high88.5Confident12 Ų1232.3 Ų32.312%0.12417%0.17CC..Hα-helixtrans-77.8-20.5177.700000114.8N37 Y38 I39 S165N37-G41 PolarHBondContact O-N 2.88Å; Y38-G41 WeakPolarHBondContact O-CA 3.24Å; Y38-G41 PolarHBondContact O-N 2.91Å; I39-G41 PolarHBondContact O-N 3.21Å; I39-G41 VanDerWaalsContact O-N 3.07Å; G41-S165 WeakPolarHBondContact O-CB 3.38Å; G41-S165 PolarHBondContact O-OG 3.39Å
42I93.2Very high86.5Confident4 Ų437 Ų372%0.02119%0.192CC..Hα-helixtrans-111.8-0.1-176.765.8172.1000113.1Y38 I39 W44 L154 C155 I156 L498Y38-I42 HydrophobicContact CD1-CD1 4.26Å; Y38-I42 HydrophobicContact CE1-CD1 3.9Å; Y38-I42 HydrophobicContact CE1-CG2 4.11Å; I39-I42 WeakPolarHBondContact O-CG1 3.38Å; I39-I42 PolarHBondContact O-N 2.89Å; I42-W44 PolarHBondContact O-N 2.9Å; I42-L154 HydrophobicContact CD1-CB 3.94Å; I42-L154 HydrophobicContact CD1-CD1 4.07Å; I42-L154 HydrophobicContact CG1-CB 4.25Å; I42-L154 HydrophobicContact CG1-CD1 4.38Å; I42-L154 WeakPolarHBondContact O-CD2 3.44Å; I42-C155 WeakPolarHBondContact CB-O 3.24Å; I42-I156 HydrophobicContact CG2-CG1 4.12Å; I42-L498 HydrophobicContact CD1-CD1 3.55Å; I42-L498 HydrophobicContact CD1-CG 4.23Å
43V93.9Very high84.4Confident0 Ų040.5 Ų40.50%020%0.204CC..  trans-84.4105.6170.7-178.90000109.3I39 W147 R149 L154 S165 I166 F191 F200I39-V43 HydrophobicContact CG2-CG2 4.1Å; I39-V43 WeakPolarHBondContact O-CG2 3.46Å; I39-V43 PolarHBondContact O-N 3.48Å; V43-W147 HydrophobicContact CG1-CH2 3.77Å; V43-W147 HydrophobicContact CG1-CZ2 4.41Å; V43-R149 HydrophobicContact CG1-CG 4.47Å; V43-L154 HydrophobicContact CB-CD2 4.37Å; V43-L154 HydrophobicContact CG2-CD2 3.88Å; V43-S165 CarbonylContact O-C 3.48Å; V43-S165 WeakPolarHBondContact O-CA 3.39Å; V43-S165 WeakPolarHBondContact O-CB 3.43Å; V43-I166 HydrophobicContact CB-CD1 4.16Å; V43-I166 HydrophobicContact CB-CG1 4.44Å; V43-I166 HydrophobicContact CG1-CD1 3.74Å; V43-I166 HydrophobicContact CG1-CG1 4.23Å; V43-I166 PolarHBondContact O-N 3.17Å; V43-F191 HydrophobicContact CG2-CE1 4.05Å; V43-F191 HydrophobicContact CG2-CZ 4.21Å; V43-F200 HydrophobicContact CB-CE2 4.31Å; V43-F200 HydrophobicContact CB-CZ 4.18Å; V43-F200 HydrophobicContact CG1-CE1 4.35Å; V43-F200 HydrophobicContact CG1-CE2 3.6Å; V43-F200 HydrophobicContact CG1-CZ 3.41Å; V43-F200 VanDerWaalsContact CG1-CZ 3.41Å; V43-F200 HydrophobicContact CG2-CD1 4.17Å; V43-F200 HydrophobicContact CG2-CD2 3.92Å; V43-F200 HydrophobicContact CG2-CE1 3.9Å; V43-F200 HydrophobicContact CG2-CE2 3.63Å; V43-F200 HydrophobicContact CG2-CG 4.17Å; V43-F200 HydrophobicContact CG2-CZ 3.6Å
44W93.5Very high82.1Confident12 Ų1244.3 Ų44.35%0.04523%0.226CC..EExtended strand (participates in β ladder)trans-98.7154.3-177.8-61.294.2000113.8I42 W147 L150 C155 R157 Q158 P159 S165I42-W44 PolarHBondContact O-N 2.9Å; W44-W147 WeakPolarHBondContact O-CH2 3.4Å; W44-W147 WeakPolarHBondContact O-CZ2 3.42Å; W44-L150 HydrophobicContact CB-CB 4.47Å; W44-L150 HydrophobicContact CB-CD1 3.91Å; W44-L150 HydrophobicContact CB-CG 4.43Å; W44-L150 WeakPolarHBondContact O-CB 3.32Å; W44-L150 PolarHBondContact O-N 3.39Å; W44-C155 PolarHBondContact NE1-O 2.95Å; W44-R157 PolarHBondContact NE1-O 2.89Å; W44-Q158 HydrophobicContact CE3-CB 4.38Å; W44-Q158 HydrophobicContact CE3-CG 4.06Å; W44-Q158 HydrophobicContact CH2-CB 3.66Å; W44-Q158 HydrophobicContact CH2-CG 4.08Å; W44-Q158 HydrophobicContact CZ2-CB 4.12Å; W44-Q158 VanDerWaalsContact CZ2-N 3.35Å; W44-Q158 HydrophobicContact CZ3-CB 3.8Å; W44-Q158 HydrophobicContact CZ3-CG 3.67Å; W44-P159 HydrophobicContact CB-CG 4.05Å; W44-P159 VanDerWaalsContact CG-CD 3.49Å; W44-P159 HydrophobicContact CG-CG 4.01Å; W44-S165 VanDerWaalsContact CE3-N 3.3Å
45G93.3Very high80Confident0 Ų048.7 Ų48.70%025%0.251CS..EExtended strand (participates in β ladder)trans-162173.3176.900000111.2N148 S163 I164G45-N148 CarbonylContact C-O 3.51Å; G45-N148 WeakPolarHBondContact CA-O 3.45Å; G45-S163 CarbonylContact O-C 3.56Å; G45-S163 VanDerWaalsContact O-CA 3.25Å; G45-S163 WeakPolarHBondContact O-CA 3.17Å; G45-S163 WeakPolarHBondContact O-CB 3.06Å; G45-I164 PolarHBondContact N-O 2.95Å; G45-I164 PolarHBondContact O-N 2.69Å
46Q92.9Very high77.6Confident76 Ų7652.7 Ų52.736%0.35528%0.28SS..EExtended strand (participates in β ladder)trans-119.7138.2174.8-75.6179.6-34.700109.9W147 N148 L150 I160Q46-W147 WeakPolarHBondContact O-CA 3.22Å; Q46-N148 PolarHBondContact N-O 2.9Å; Q46-N148 PolarHBondContact O-N 3.43Å; Q46-L150 HydrophobicContact CG-CD2 4.09Å; Q46-I160 HydrophobicContact CG-CD1 4.44Å
47L91.1Very high75.1Confident66 Ų6655.7 Ų55.735%0.34630%0.3SS..EExtended strand (participates in β ladder)trans-74.3131.3168.4-69.1169.3000108.4T143 Y146 W147 L169L47-T143 HydrophobicContact CD2-CG2 3.94Å; L47-Y146 WeakPolarHBondContact CA-O 3.32Å; L47-W147 HydrophobicContact CD2-CB 3.9Å; L47-W147 HydrophobicContact CD2-CG 4.5Å; L47-L169 HydrophobicContact CD1-CD1 4.16Å; L47-L169 HydrophobicContact CD2-CD1 4.3Å
48K84.7Confident72.6Confident77 Ų7761 Ų6134%0.33533%0.329SS..PPolyproline II helixtrans-59.6142.4168.9-70.9172.7155.2-1290110E52 Y146 N148K48-E52 VanDerWaalsContact CD-OE2 3.31Å; K48-E52 WeakPolarHBondContact CD-OE2 3.37Å; K48-E52 WeakPolarHBondContact CE-OE2 3.29Å; K48-E52 IonicContact NZ-OE2 3.74Å; K48-E52 PolarHBondContact NZ-OE2 3.11Å; K48-Y146 PolarHBondContact N-O 3.04Å; K48-N148 WeakPolarHBondContact CE-ND2 3.18Å; K48-N148 WeakPolarHBondContact CG-ND2 3.48Å
49D71.2Confident70Confident127 Ų12767.8 Ų67.868%0.67937%0.365SS*.PPolyproline II helixtrans-54.2141175.4-74.1-32.2000110.9S51 E52D49-S51 PolarHBondContact O-N 3.43Å; D49-E52 PolarHBondContact O-N 2.98Å
50E57.4Low67.4Low127 Ų12776.4 Ų76.459%0.59340%0.403SS*.G310 helixtrans-56.8-22.7-176.2-75.4-165.9159.200113.8E52 R53E50-E52 PolarHBondContact O-N 3.26Å; E50-R53 PolarHBondContact O-N 2.95Å; E50-R53 IonicContact OE1-CZ 2.86Å; E50-R53 IonicContact OE1-NH1 3.43Å; E50-R53 PolarHBondContact OE1-NH1 2.69Å; E50-R53 IonicContact OE1-NH2 2.81Å; E50-R53 PolarHBondContact OE1-NH2 2.99Å
51S52.6Low64.6Low90 Ų9083.1 Ų83.163%0.62944%0.438SS*.G310 helixtrans-58.8-25174.151.40000113.9D49D49-S51 PolarHBondContact O-N 3.43Å
52E49.4Very low61.8Low100 Ų10090.2 Ų90.247%0.46747%0.474SS..G310 helixtrans-84.7-17.8175.3-69.3-168.2176.600113.8K48 D49 E50 N54 V55K48-E52 VanDerWaalsContact CD-OE2 3.31Å; K48-E52 WeakPolarHBondContact CD-OE2 3.37Å; K48-E52 WeakPolarHBondContact CE-OE2 3.29Å; K48-E52 IonicContact NZ-OE2 3.74Å; K48-E52 PolarHBondContact NZ-OE2 3.11Å; D49-E52 PolarHBondContact O-N 2.98Å; E50-E52 PolarHBondContact O-N 3.26Å; E52-N54 PolarHBondContact O-N 3.36Å; E52-V55 PolarHBondContact O-N 3.37Å
53R50.6Low59.2Low89 Ų8995.1 Ų95.134%0.33651%0.508SS..THydrogen-bonded Turntrans-67.2-24.9-178.6-64.5-169.3-156.6150.314.1112.9E50 Y146E50-R53 PolarHBondContact O-N 2.95Å; E50-R53 IonicContact OE1-CZ 2.86Å; E50-R53 IonicContact OE1-NH1 3.43Å; E50-R53 PolarHBondContact OE1-NH1 2.69Å; E50-R53 IonicContact OE1-NH2 2.81Å; E50-R53 PolarHBondContact OE1-NH2 2.99Å; R53-Y146 HydrophobicContact CB-CE1 4.23Å; R53-Y146 HydrophobicContact CG-CD1 3.87Å; R53-Y146 HydrophobicContact CG-CD2 4.45Å; R53-Y146 HydrophobicContact CG-CE1 3.7Å; R53-Y146 HydrophobicContact CG-CE2 4.3Å; R53-Y146 HydrophobicContact CG-CG 4.25Å
54N44.6Very low56.4Low113 Ų113103.7 Ų103.760%0.60455%0.548SS*.THydrogen-bonded Turntrans-88.8-12.3-176.1-67.8-24.9000114.4E52 S57E52-N54 PolarHBondContact O-N 3.36Å; N54-S57 PolarHBondContact O-OG 3.47Å; N54-S57 VanDerWaalsContact O-OG 3.13Å
55V47.5Very low53.6Low100 Ų100109 Ų10961%0.60658%0.583SS**THydrogen-bonded Turntrans-82.4-21-176.4-174.80000112.2E52E52-V55 PolarHBondContact O-N 3.37Å
56S45.1Very low50.8Low85 Ų85113.7 Ų113.759%0.59462%0.615SS**THydrogen-bonded Turntrans-90.6-11-178.1-162.50000114.7
57S43.6Very low48Very low63 Ų63118 Ų11844%0.44164%0.64SS.*THydrogen-bonded Turntrans-81.3-23.1173.945.30000113.2N54 L59N54-S57 PolarHBondContact O-OG 3.47Å; N54-S57 VanDerWaalsContact O-OG 3.13Å; S57-L59 VanDerWaalsContact C-N 3.31Å; S57-L59 PolarHBondContact O-N 2.98Å
58D40.7Very low45.2Very low127 Ų127120.1 Ų120.168%0.67966%0.657SS**THydrogen-bonded Turntrans-83.1-5.1-174.2-69.2-14.2000114
59L41.4Very low42.9Very low155 Ų155123 Ų12381%0.81268%0.681SS**THydrogen-bonded Turntrans-100.62.7179-78.9158.9000114.5S57S57-L59 VanDerWaalsContact C-N 3.31Å; S57-L59 PolarHBondContact O-N 2.98Å
60K40.8Very low41.1Very low182 Ų182124.4 Ų124.479%0.79169%0.689SS**SBendtrans-114.12-179.2-83.1-176.3176.5177.70116.3
61N35.9Very low40.1Very low140 Ų140123.5 Ų123.575%0.74970%0.697SS**  trans-114.435.6-174.2-76.6-13.8000115.2
62N33.8Very low39.2Very low162 Ų162126.8 Ų126.887%0.86671%0.707SS**  trans-120.570.6171.7-82-24.4000111.6
63S38.7Very low38.8Very low107 Ų107126.9 Ų126.975%0.74872%0.716SS**SBendtrans-166.2119.3153.648.90000110.2
64E35.8Very low38Very low180 Ų180129.5 Ų129.584%0.84174%0.737SS**  trans9285.7156.5-60.7-178.217700119.9
65T35.3Very low37.6Very low124 Ų124132.1 Ų132.176%0.76175%0.746SS**  5299.5119.332.90000121.3
66S33.9Very low36.8Very low97 Ų97131.9 Ų131.968%0.67875%0.748SS**  52.7116.9117.867.70000120.8
67L33.8Very low36.3Very low168 Ų168133.6 Ų133.688%0.8876%0.755SS**  -176.6144.791.1-91.6161.2000111.2
68P33.3Very low35.7Very low110 Ų110138 Ų13871%0.71477%0.774SS**  trans-114.9161.6-166.540-29000114.5
69T36.3Very low35.2Very low137 Ų137137.5 Ų137.584%0.8478%0.777SS**  trans-159.1118.614839.50000113.1
70N32.7Very low34.7Very low156 Ų156138.1 Ų138.183%0.83478%0.78SS**  trans23.8137135.8-81.5-17000119.1
71S35.8Very low33.9Very low109 Ų109137.4 Ų137.476%0.76278%0.779SS**  cis-170.3124.146.744.80000114.2
72N35Very low33.4Very low159 Ų159136.2 Ų136.285%0.8578%0.777SS**  trans43.6154.2131.4-93.16.9000126.5
73P39.8Very low33.3Very low101 Ų101136 Ų13666%0.65678%0.776SS**  trans-126.6-169.8-147.639.9-18.4000113.9
74N34.7Very low32.7Very low144 Ų144139 Ų13977%0.7778%0.778SS**  trans154.1139.3157-77.9-19.6000107.2
75H35.8Very low32.2Very low169 Ų169135.4 Ų135.478%0.78277%0.773SS**  cis-159129.728.3-106.9-68.1000106.9
76S30.5Very low31.9Very low95 Ų95138.7 Ų138.766%0.66478%0.78SS**  39.4114.298.4-169.30000117.1
77T34.9Very low31.7Very low121 Ų121141.7 Ų141.774%0.74279%0.788SS**  166.4113.3107.944.50000112.4
78D30.6Very low31.3Very low154 Ų154141.2 Ų141.282%0.82479%0.785SS**  54.6155.4126.3-70.2-5.3000125
79P30.3Very low31.1Very low117 Ų117143.2 Ų143.276%0.7679%0.79SS**  trans-106.4160.3-141.540.4-33.6000114.7
80I31.1Very low30.7Very low169 Ų169141.9 Ų141.987%0.86779%0.786SS**  trans-138.7124.6171.6-64-178.6000111.7
81E24.6Very low30.5Very low166 Ų166140.3 Ų140.378%0.77678%0.782SS**  trans-67156.2167-89.5176.3152.200114
82T25.6Very low30.1Very low115 Ų115145.1 Ų145.171%0.70679%0.789SS**  trans63.9120.5153.456.70000119.1
83N30.3Very low29.8Very low157 Ų157142.9 Ų142.984%0.8479%0.786SS**  -173.4139.2109.9-95.7-30.9000113.3
84E26.2Very low29.4Very low171 Ų171145.5 Ų145.580%0.79979%0.789SS**  trans-60.6162169.4-62.1172.2134.700112.8
85S26.6Very low29.2Very low104 Ų104143.9 Ų143.973%0.72779%0.785SS**  trans69100149-53.10000117.5
86Q28.4Very low28.9Very low193 Ų193143.6 Ų143.690%0.90279%0.788SS**  trans177.7102.5134.7-99.3167.225.600111.4
87N29.2Very low29Very low161 Ų161145.9 Ų145.986%0.86179%0.792SS**  trans-166.873.5131.6-116.9-27.9000111.6
88I26.7Very low28.8Very low157 Ų157148 Ų14881%0.80579%0.794SS**  trans-84.3106.6155.6-65169.3000104.8
89N27.4Very low28.9Very low153 Ų153148.7 Ų148.782%0.81879%0.794SS**  trans16686.8151.6-83.3-27.2000110.8
90S29.4Very low29Very low108 Ų108149.2 Ų149.276%0.75579%0.791SS**SBendtrans-168.4-13.3158.2-175.60000114K92S90-K92 PolarHBondContact O-N 3.5Å
91V27.7Very low29Very low124 Ų124149.4 Ų149.475%0.75279%0.785SS**  trans-10270.2-171.7-168.40000110.8V95V91-V95 HydrophobicContact CG1-CG2 4.43Å
92K27.4Very low29.5Very low209 Ų209149.5 Ų149.591%0.90979%0.791SS**SBendtrans-138.813172.2-94-169.9178.6178.80115.3S90S90-K92 PolarHBondContact O-N 3.5Å
93S29.2Very low29.7Very low113 Ų113149.9 Ų149.979%0.7979%0.785SS**SBendtrans-140.913.3-177.447.30000116.5
94Q31.4Very low29.6Very low155 Ų155149.7 Ų149.772%0.72478%0.784SS**SBendtrans-121.8-2.3176.9-88.7172.4-30.300115.3L96Q94-L96 PolarHBondContact O-N 2.85Å
95V29.6Very low29.8Very low111 Ų111150.2 Ų150.267%0.67379%0.786SS**THydrogen-bonded Turntrans-90.41.5-171.3-178.10000113.7V91V91-V95 HydrophobicContact CG1-CG2 4.43Å
96L29.7Very low30Very low163 Ų163153.2 Ų153.285%0.85379%0.789SS**THydrogen-bonded Turntrans-116.73.5-174.4-149.569.5000115.1Q94Q94-L96 PolarHBondContact O-N 2.85Å
97N31.8Very low30Very low142 Ų142152 Ų15276%0.75978%0.783SS**SBendtrans-117.60.4-179.5-89.2-17.5000114.5
98E31.8Very low30Very low165 Ų165150.9 Ų150.977%0.77178%0.777SS**SBendtrans-97.9-2-175.8-67.5-172.2161.800113.8
99M32.5Very low30.1Very low170 Ų170147.6 Ų147.684%0.83777%0.768SS**SBendtrans-86.5-11.6174.9-76.3178.3155.700114.3
100N33.2Very low30.1Very low128 Ų128147.2 Ų147.268%0.68478%0.775SS**SBendtrans-116.419-170.8-72.7-2.8000115.2
101K31.5Very low30Very low173 Ų173147.9 Ų147.975%0.75277%0.769SS**SBendtrans-140.375.8178.4-73.9-175.6179.4176.80111.7
102N33.1Very low29.9Very low167 Ų167146.6 Ų146.689%0.89377%0.771SS**  trans-176.239.3147.5-90.1-19.7000110.3
103E30.4Very low29.9Very low123 Ų123142.1 Ų142.158%0.57576%0.762SS**  trans-101.795.3171.9-65.4-171.7151.200106.9K369E103-K369 IonicContact OE1-NZ 3.51Å; E103-K369 PolarHBondContact OE1-NZ 2.8Å
104N28.5Very low29.9Very low153 Ų153143 Ų14382%0.81876%0.762SS**SBendtrans-178.2123.9155.4-86.4-34.7000108.2
105H31.5Very low29.8Very low183 Ų183140.1 Ų140.185%0.84776%0.756SS**SBendtrans87.280.7-173.7-56.8-63.6000115.7
106E29.5Very low29.9Very low167 Ų167140.4 Ų140.478%0.7876%0.758SS**  trans178.775.1137.1-98.8166.2-169.600108.5
107H28.9Very low30.1Very low168 Ų168136.8 Ų136.878%0.77874%0.742SS**SBendtrans-138.3121.8163.7-135.654.1000107.7
108N29Very low30.2Very low137 Ų137136.2 Ų136.273%0.73374%0.744SS**SBendtrans67.292.8168.1-56.7-32.1000117
109S28.7Very low30.7Very low88 Ų88131.4 Ų131.462%0.61574%0.739SS**  162.5129.1113.361.80000111.7I111S109-I111 PolarHBondContact O-N 2.64Å
110C27.5Very low31.7Very low145 Ų145130.1 Ų130.198%0.9874%0.736SS**  trans-67.276.7159.4-65.40000109
111I28.1Very low33.2Very low121 Ų121128.5 Ų128.562%0.62172%0.72SS**  trans-127124.4166-62.9176.8000106S109 T113S109-I111 PolarHBondContact O-N 2.64Å; I111-T113 VanDerWaalsContact C-N 3.33Å; I111-T113 PolarHBondContact O-N 2.66Å; I111-T113 PolarHBondContact O-OG1 2.58Å
112A25.9Very low35Very low97 Ų97126 Ų12680%0.80271%0.711SS**  trans-47.595.6176.600000110.1
113T26.2Very low36.9Very low115 Ų115119.1 Ų119.171%0.70668%0.675SS**  trans-99.3102.9169.6-25.50000104.3I111 T115I111-T113 VanDerWaalsContact C-N 3.33Å; I111-T113 PolarHBondContact O-N 2.66Å; I111-T113 PolarHBondContact O-OG1 2.58Å; T113-T115 PolarHBondContact O-N 3.25Å
114T29.5Very low39.1Very low131 Ų131114.4 Ų114.480%0.80465%0.653SS**  trans-60.984.8168.8-15.10000107T116T114-T116 VanDerWaalsContact C-N 3.31Å; T114-T116 PolarHBondContact O-N 3.38Å
115T29.9Very low41.2Very low96 Ų96114.3 Ų114.359%0.58965%0.647SS**  trans-69.897167.834.20000106.9T113 T117T113-T115 PolarHBondContact O-N 3.25Å; T115-T117 PolarHBondContact O-N 3.29Å; T115-T117 VanDerWaalsContact O-N 3.17Å
116T30.9Very low43.3Very low117 Ų117107.9 Ų107.972%0.71863%0.63SS**  trans-51.4116.4163.932.70000108.8T114 T118T114-T116 VanDerWaalsContact C-N 3.31Å; T114-T116 PolarHBondContact O-N 3.38Å; T116-T118 VanDerWaalsContact C-N 3.29Å; T116-T118 PolarHBondContact O-N 3.05Å
117T33.6Very low45.8Very low86 Ų86101.6 Ų101.653%0.52860%0.601SS.*SBendtrans-70.181178.243.20000110.6T115T115-T117 PolarHBondContact O-N 3.29Å; T115-T117 VanDerWaalsContact O-N 3.17Å
118T34.7Very low48.4Very low130 Ų13095.6 Ų95.680%0.79858%0.575SS**  trans-125.95.8165.753.40000113T116T116-T118 VanDerWaalsContact C-N 3.29Å; T116-T118 PolarHBondContact O-N 3.05Å
119G41.5Very low51.1Low65 Ų6591.2 Ų91.267%0.6755%0.549SS*.SBendtrans-84.4133176.700000113R121G119-R121 PolarHBondContact O-N 3.34Å
120N53Low54Low143 Ų14392.8 Ų92.877%0.76555%0.547SS*.  trans-51107.1172.6-78.1-21.8000110.7Q122N120-Q122 PolarHBondContact O-N 3.29Å; N120-Q122 PolarHBondContact O-NE2 3.06Å
121R66.7Low57Low93 Ų9391.2 Ų91.235%0.35153%0.529SS..  trans-51.4125.2172-62.2-176.9-167.4157.53.1108.7E33 G119 G230E33-R121 IonicContact OE1-NH1 3.36Å; E33-R121 PolarHBondContact OE1-NH1 3.34Å; E33-R121 IonicContact OE2-NH1 2.68Å; G119-R121 PolarHBondContact O-N 3.34Å; R121-G230 PolarHBondContact NH2-O 2.69Å
122Q67.7Low60.1Low121 Ų12186.7 Ų86.757%0.56551%0.505SS*.  trans-98.9141.5178.1-64-57-53.400109.7R28 N120R28-Q122 WeakPolarHBondContact CB-O 2.91Å; R28-Q122 WeakPolarHBondContact CG-O 3.17Å; N120-Q122 PolarHBondContact O-N 3.29Å; N120-Q122 PolarHBondContact O-NE2 3.06Å
123P74.4Confident63.3Low22 Ų2285.4 Ų85.414%0.14349%0.488CS..  trans-65.1179173.435-41.8000111.4E127 F129P123-E127 HydrophobicContact CB-CB 4.03Å; P123-E127 WeakPolarHBondContact CG-O 3.19Å; P123-F129 HydrophobicContact CB-CB 3.85Å; P123-F129 HydrophobicContact CB-CD2 3.72Å; P123-F129 HydrophobicContact CB-CE2 4.46Å; P123-F129 HydrophobicContact CB-CG 3.92Å; P123-F129 HydrophobicContact CG-CB 3.77Å; P123-F129 HydrophobicContact CG-CG 4.29Å
124Y74.8Confident66.5Low25 Ų2585.2 Ų85.210%0.09849%0.491CS..SBendtrans-62.4152.1168.4-63.7-73.2000110.9R17 D24 R28 F29 G126 E127R17-Y124 PolarHBondContact NE-OH 3.43Å; R17-Y124 PolarHBondContact NH1-OH 2.77Å; R17-Y124 PolarHBondContact NH2-OH 3.07Å; D24-Y124 WeakPolarHBondContact OD2-CE1 3.41Å; D24-Y124 PolarHBondContact OD2-OH 3.13Å; D24-Y124 VanDerWaalsContact OD2-OH 3.12Å; R28-Y124 HydrophobicContact CB-CE1 4.41Å; F29-Y124 HydrophobicContact CD2-CD2 4.24Å; F29-Y124 AromaticContact CD2-CE2 3.34Å; F29-Y124 HydrophobicContact CD2-CE2 3.34Å; F29-Y124 AromaticContact CD2-CZ 3.69Å; F29-Y124 WeakPolarHBondContact CD2-OH 3.5Å; F29-Y124 AromaticContact CE2-CD2 3.61Å; F29-Y124 HydrophobicContact CE2-CD2 3.61Å; F29-Y124 AromaticContact CE2-CE2 3.14Å; F29-Y124 HydrophobicContact CE2-CE2 3.14Å; F29-Y124 AromaticContact CE2-CZ 3.93Å; F29-Y124 HydrophobicContact CZ-CE2 4.27Å; Y124-G126 PolarHBondContact O-N 2.68Å; Y124-E127 WeakPolarHBondContact O-CB 3.46Å; Y124-E127 PolarHBondContact O-N 3.17Å
125E72.8Confident69.6Low151 Ų15185.1 Ų85.171%0.70649%0.485SS*.THydrogen-bonded Turntrans-55.2126.5-179.8-169.7176.1165.800111.2
126G76.3Confident72.7Confident47 Ų4782.6 Ų82.649%0.48547%0.467SS..THydrogen-bonded Turntrans83.18.1-178.200000115.4Y124 S179Y124-G126 PolarHBondContact O-N 2.68Å; G126-S179 WeakPolarHBondContact O-CA 3.22Å; G126-S179 WeakPolarHBondContact O-CB 3.5Å
127E82.6Confident75.6Confident36 Ų3679.2 Ų79.217%0.16844%0.444CS..  trans-99.8144.7174.5-65.4-175.3164.700113.4P123 Y124 S179 R185P123-E127 HydrophobicContact CB-CB 4.03Å; P123-E127 WeakPolarHBondContact CG-O 3.19Å; Y124-E127 WeakPolarHBondContact O-CB 3.46Å; Y124-E127 PolarHBondContact O-N 3.17Å; E127-S179 WeakPolarHBondContact CA-O 3.33Å; E127-R185 IonicContact OE1-CZ 3.11Å; E127-R185 IonicContact OE1-NH1 2.83Å; E127-R185 PolarHBondContact OE1-NH1 3.03Å; E127-R185 IonicContact OE1-NH2 3.91Å; E127-R185 PolarHBondContact OE1-NH2 2.99Å; E127-R185 IonicContact OE2-CZ 3.91Å; E127-R185 IonicContact OE2-NH1 3.08Å; E127-R185 PolarHBondContact OE2-NH1 2.97Å
128N83.3Confident78.4Confident42 Ų4277.8 Ų77.823%0.22544%0.441CS..  trans-84.9129.6168.7-177.6-1.4000109E130 S179 G182 R183N128-E130 PolarHBondContact ND2-OE2 3.42Å; N128-E130 VanDerWaalsContact OD1-CB 3.25Å; N128-E130 WeakPolarHBondContact OD1-CB 3.48Å; N128-E130 WeakPolarHBondContact OD1-CG 3.27Å; N128-E130 PolarHBondContact OD1-N 2.96Å; N128-S179 PolarHBondContact N-O 3.44Å; N128-G182 CarbonylContact O-C 3.53Å; N128-G182 WeakPolarHBondContact O-CA 3.29Å; N128-R183 HydrophobicContact CB-CG 4.14Å; N128-R183 WeakPolarHBondContact O-CG 3.47Å; N128-R183 PolarHBondContact O-N 3.02Å
129F85.8Confident81.2Confident44 Ų4475.6 Ų75.619%0.19343%0.425CS..  trans-113.221.8179.1-148.1-123.7000114F29 P123 G182 K186F29-F129 AromaticContact CE1-CE2 3.77Å; F29-F129 HydrophobicContact CE1-CE2 3.77Å; F29-F129 HydrophobicContact CE1-CZ 4.16Å; F29-F129 AromaticContact CZ-CE2 3.65Å; F29-F129 HydrophobicContact CZ-CE2 3.65Å; F29-F129 HydrophobicContact CZ-CZ 4.33Å; P123-F129 HydrophobicContact CB-CB 3.85Å; P123-F129 HydrophobicContact CB-CD2 3.72Å; P123-F129 HydrophobicContact CB-CE2 4.46Å; P123-F129 HydrophobicContact CB-CG 3.92Å; P123-F129 HydrophobicContact CG-CB 3.77Å; P123-F129 HydrophobicContact CG-CG 4.29Å; F129-G182 WeakPolarHBondContact CD2-O 3.46Å; F129-K186 HydrophobicContact CD1-CD 3.93Å; F129-K186 HydrophobicContact CD2-CB 4.06Å; F129-K186 HydrophobicContact CD2-CD 4.27Å; F129-K186 HydrophobicContact CD2-CG 4.48Å; F129-K186 HydrophobicContact CE1-CD 3.88Å; F129-K186 HydrophobicContact CE1-CG 4.05Å; F129-K186 HydrophobicContact CE2-CB 3.59Å; F129-K186 HydrophobicContact CE2-CD 4.23Å; F129-K186 HydrophobicContact CE2-CG 3.99Å; F129-K186 HydrophobicContact CG-CD 4.12Å; F129-K186 HydrophobicContact CZ-CB 3.87Å; F129-K186 HydrophobicContact CZ-CD 4.04Å; F129-K186 HydrophobicContact CZ-CG 3.75Å; F129-K186 VanDerWaalsContact O-CD 3.3Å; F129-K186 WeakPolarHBondContact O-CD 3.48Å; F129-K186 PolarHBondContact O-NZ 3.47Å
130E89.3Confident83.6Confident122 Ų12272.7 Ų72.757%0.5739%0.394SS*.PPolyproline II helixtrans-64.1154.3169.8-73.1167.4175.500111.7N128 R183N128-E130 PolarHBondContact ND2-OE2 3.42Å; N128-E130 VanDerWaalsContact OD1-CB 3.25Å; N128-E130 WeakPolarHBondContact OD1-CB 3.48Å; N128-E130 WeakPolarHBondContact OD1-CG 3.27Å; N128-E130 PolarHBondContact OD1-N 2.96Å; E130-R183 WeakPolarHBondContact O-CB 3.25Å; E130-R183 WeakPolarHBondContact O-CG 3.3Å
131N90.6Very high85.4Confident112 Ų11270.7 Ų70.760%0.59938%0.378SS*.PPolyproline II helixtrans-69.7156.7173.4-65-25.8000110.6R183 K186N131-R183 PolarHBondContact O-NH2 2.78Å; N131-K186 WeakPolarHBondContact OD1-CE 3.36Å; N131-K186 PolarHBondContact OD1-NZ 3.18Å
132L92.1Very high86.7Confident25 Ų2568.6 Ų68.613%0.13138%0.381CS..PPolyproline II helixtrans-64.9137.6164.5-56.7-175.9000109.2L170 I174 R183 Y187L132-L170 HydrophobicContact CD1-CD1 4.11Å; L132-L170 HydrophobicContact CD1-CD2 4.3Å; L132-I174 HydrophobicContact CD1-CG1 4.47Å; L132-I174 HydrophobicContact CD2-CB 4.5Å; L132-I174 HydrophobicContact CD2-CD1 4.05Å; L132-I174 HydrophobicContact CD2-CG1 4.01Å; L132-I174 HydrophobicContact CD2-CG2 3.68Å; L132-R183 HydrophobicContact CD2-CB 3.99Å; L132-Y187 HydrophobicContact CD1-CD1 3.93Å; L132-Y187 HydrophobicContact CD1-CD2 3.99Å; L132-Y187 HydrophobicContact CD1-CG 3.62Å; L132-Y187 HydrophobicContact CG-CG 4.38Å
133T94Very high87.8Confident71 Ų7164.3 Ų64.344%0.43636%0.363SS..PPolyproline II helixtrans-68157.2175.664.60000110.5N135 E136 L137T133-N135 PolarHBondContact O-N 3.02Å; T133-E136 VanDerWaalsContact CB-OE2 3.29Å; T133-E136 WeakPolarHBondContact CB-OE2 3.37Å; T133-E136 VanDerWaalsContact CG2-OE2 3.31Å; T133-E136 WeakPolarHBondContact CG2-OE2 3.48Å; T133-E136 PolarHBondContact N-OE2 3.31Å; T133-E136 PolarHBondContact O-N 3.27Å; T133-E136 WeakPolarHBondContact OG1-CB 3.42Å; T133-E136 VanDerWaalsContact OG1-CD 3.28Å; T133-E136 VanDerWaalsContact OG1-CG 3.25Å; T133-E136 WeakPolarHBondContact OG1-CG 3.16Å; T133-E136 PolarHBondContact OG1-N 3.3Å; T133-E136 PolarHBondContact OG1-OE2 3.23Å; T133-L137 PolarHBondContact O-N 2.99Å
134S93Very high88.6Confident110 Ų11064 Ų6477%0.76936%0.36SS*.Hα-helixtrans-57.3-33.9176.4-53.70000112.6A138S134-A138 VanDerWaalsContact O-CB 3.29Å; S134-A138 WeakPolarHBondContact O-CB 3.45Å; S134-A138 PolarHBondContact O-N 3.08Å
135N94.9Very high89.4Confident129 Ų12967.6 Ų67.669%0.6939%0.385SS*.Hα-helixtrans-71.2-44.9178-172.467.3000112.1T133 L137 A138 N139T133-N135 PolarHBondContact O-N 3.02Å; N135-L137 VanDerWaalsContact C-N 3.32Å; N135-L137 PolarHBondContact O-N 2.9Å; N135-A138 PolarHBondContact O-N 3.38Å; N135-N139 WeakPolarHBondContact O-CB 3.07Å; N135-N139 PolarHBondContact O-N 2.99Å
136E94.3Very high90.2Very high43 Ų4363.6 Ų63.620%0.20136%0.364CS..Hα-helixtrans-59.3-44174-76.2163.4137.100111.2T133 N139 F140 I174 R183T133-E136 VanDerWaalsContact CB-OE2 3.29Å; T133-E136 WeakPolarHBondContact CB-OE2 3.37Å; T133-E136 VanDerWaalsContact CG2-OE2 3.31Å; T133-E136 WeakPolarHBondContact CG2-OE2 3.48Å; T133-E136 PolarHBondContact N-OE2 3.31Å; T133-E136 PolarHBondContact O-N 3.27Å; T133-E136 WeakPolarHBondContact OG1-CB 3.42Å; T133-E136 VanDerWaalsContact OG1-CD 3.28Å; T133-E136 VanDerWaalsContact OG1-CG 3.25Å; T133-E136 WeakPolarHBondContact OG1-CG 3.16Å; T133-E136 PolarHBondContact OG1-N 3.3Å; T133-E136 PolarHBondContact OG1-OE2 3.23Å; E136-N139 PolarHBondContact O-N 3.46Å; E136-F140 WeakPolarHBondContact O-CB 3.38Å; E136-F140 PolarHBondContact O-N 2.91Å; E136-I174 HydrophobicContact CB-CD1 3.69Å; E136-I174 HydrophobicContact CG-CD1 3.78Å; E136-R183 VanDerWaalsContact CD-NH2 3.3Å; E136-R183 IonicContact OE1-CZ 2.81Å; E136-R183 IonicContact OE1-NH1 2.61Å; E136-R183 PolarHBondContact OE1-NH1 2.91Å; E136-R183 IonicContact OE1-NH2 3.5Å; E136-R183 PolarHBondContact OE1-NH2 2.9Å; E136-R183 VanDerWaalsContact OE1-NH2 3.11Å; E136-R183 IonicContact OE2-CZ 3.3Å; E136-R183 IonicContact OE2-NH1 2.78Å; E136-R183 IonicContact OE2-NH2 2.7Å; E136-R183 PolarHBondContact OE2-NH2 3.38Å
137L91.3Very high91Very high46 Ų4662.4 Ų62.424%0.24135%0.345CS..Hα-helixtrans-66.3-40.2177.9-175.861.9000112.2T133 N135 F140 K141 Y187T133-L137 PolarHBondContact O-N 2.99Å; N135-L137 VanDerWaalsContact C-N 3.32Å; N135-L137 PolarHBondContact O-N 2.9Å; L137-F140 PolarHBondContact O-N 3.07Å; L137-K141 HydrophobicContact CG-CD 4.34Å; L137-K141 WeakPolarHBondContact O-CB 3.3Å; L137-K141 VanDerWaalsContact O-CG 3.31Å; L137-K141 WeakPolarHBondContact O-CG 3.47Å; L137-K141 PolarHBondContact O-N 3.18Å; L137-Y187 HydrophobicContact CD1-CE2 3.62Å; L137-Y187 WeakPolarHBondContact CD1-OH 3.4Å
138A92.6Very high91.4Very high56 Ų5664.5 Ų64.546%0.46336%0.357SS..Hα-helixtrans-63.1-43.2175.500000111.5S134 N135 K141 A142S134-A138 VanDerWaalsContact O-CB 3.29Å; S134-A138 WeakPolarHBondContact O-CB 3.45Å; S134-A138 PolarHBondContact O-N 3.08Å; N135-A138 PolarHBondContact O-N 3.38Å; A138-K141 PolarHBondContact O-N 3.27Å; A138-A142 WeakPolarHBondContact O-CB 3.38Å; A138-A142 PolarHBondContact O-N 3.47Å
139N93.6Very high91.8Very high85 Ų8569 Ų6946%0.45537%0.371SS..Hα-helixtrans-63.3-42.9176-172.464.1000112.2N135 E136 A142 T143 Q173N135-N139 WeakPolarHBondContact O-CB 3.07Å; N135-N139 PolarHBondContact O-N 2.99Å; E136-N139 PolarHBondContact O-N 3.46Å; N139-A142 PolarHBondContact O-N 3.2Å; N139-T143 PolarHBondContact O-N 2.88Å; N139-T143 PolarHBondContact O-OG1 2.85Å; N139-Q173 PolarHBondContact ND2-OE1 3.28Å
140F92.8Very high92.1Very high3 Ų367.7 Ų67.71%0.01337%0.366CS..Hα-helixtrans-62.2-47.9176.7179.5-121.6000111.7E136 L137 A142 T143 L144 I166 L169 L170 Q173 Y187E136-F140 WeakPolarHBondContact O-CB 3.38Å; E136-F140 PolarHBondContact O-N 2.91Å; L137-F140 PolarHBondContact O-N 3.07Å; F140-A142 VanDerWaalsContact C-N 3.35Å; F140-A142 PolarHBondContact O-N 3.34Å; F140-T143 WeakPolarHBondContact O-CB 3.3Å; F140-T143 PolarHBondContact O-N 3.28Å; F140-T143 VanDerWaalsContact O-N 3.09Å; F140-L144 HydrophobicContact CD1-CD1 3.67Å; F140-L144 HydrophobicContact CD2-CD1 4.35Å; F140-L144 HydrophobicContact CD2-CG 4.41Å; F140-L144 HydrophobicContact CE1-CD1 3.3Å; F140-L144 HydrophobicContact CE1-CG 4.22Å; F140-L144 HydrophobicContact CE2-CD1 4.03Å; F140-L144 HydrophobicContact CE2-CD2 4.32Å; F140-L144 HydrophobicContact CE2-CG 4.06Å; F140-L144 HydrophobicContact CG-CD1 4.19Å; F140-L144 HydrophobicContact CZ-CD1 3.5Å; F140-L144 VanDerWaalsContact CZ-CD1 3.5Å; F140-L144 HydrophobicContact CZ-CD2 4.13Å; F140-L144 HydrophobicContact CZ-CG 3.96Å; F140-L144 WeakPolarHBondContact O-CG 3.1Å; F140-L144 PolarHBondContact O-N 2.94Å; F140-I166 HydrophobicContact CZ-CG2 4.15Å; F140-L169 HydrophobicContact CE2-CD2 4.17Å; F140-L169 HydrophobicContact CE2-CG 4.26Å; F140-L170 HydrophobicContact CB-CD1 4.13Å; F140-L170 HydrophobicContact CD1-CD1 3.94Å; F140-L170 HydrophobicContact CD2-CB 4.22Å; F140-L170 HydrophobicContact CD2-CD1 3.56Å; F140-L170 HydrophobicContact CD2-CG 4.47Å; F140-L170 HydrophobicContact CE1-CD1 4.19Å; F140-L170 HydrophobicContact CE2-CB 3.71Å; F140-L170 HydrophobicContact CE2-CD1 3.85Å; F140-L170 HydrophobicContact CE2-CG 4.32Å; F140-L170 HydrophobicContact CG-CD1 3.6Å; F140-L170 HydrophobicContact CZ-CB 4.02Å; F140-L170 HydrophobicContact CZ-CD1 4.15Å; F140-L170 HydrophobicContact CZ-CG 4.47Å; F140-Q173 VanDerWaalsContact CA-OE1 3.3Å; F140-Y187 HydrophobicContact CD1-CE1 4.27Å; F140-Y187 AromaticContact CE1-CE1 3.92Å; F140-Y187 HydrophobicContact CE1-CE1 3.92Å
141K91.3Very high91.9Very high101 Ų10167.3 Ų67.344%0.43937%0.374SS..Hα-helixtrans-59.6-42.7175.5-74.1177.2177.5-177.70112.4L137 A138 T143 L144 T145L137-K141 HydrophobicContact CG-CD 4.34Å; L137-K141 WeakPolarHBondContact O-CB 3.3Å; L137-K141 VanDerWaalsContact O-CG 3.31Å; L137-K141 WeakPolarHBondContact O-CG 3.47Å; L137-K141 PolarHBondContact O-N 3.18Å; A138-K141 PolarHBondContact O-N 3.27Å; K141-T143 VanDerWaalsContact C-N 3.28Å; K141-T143 PolarHBondContact O-N 2.81Å; K141-L144 PolarHBondContact O-N 2.75Å; K141-T145 PolarHBondContact O-N 3.21Å; K141-T145 VanDerWaalsContact O-N 3.16Å
142A92.4Very high91.4Very high50 Ų5065.9 Ų65.941%0.41336%0.364SS..Hα-helixtrans-63.1-35.2175.500000112.1A138 N139 F140 T145 Y146A138-A142 WeakPolarHBondContact O-CB 3.38Å; A138-A142 PolarHBondContact O-N 3.47Å; N139-A142 PolarHBondContact O-N 3.2Å; F140-A142 VanDerWaalsContact C-N 3.35Å; F140-A142 PolarHBondContact O-N 3.34Å; A142-T145 PolarHBondContact O-OG1 2.78Å; A142-Y146 WeakPolarHBondContact O-CD2 3.43Å; A142-Y146 WeakPolarHBondContact O-CE2 3.45Å
143T92.1Very high91Very high31 Ų3170 Ų7019%0.1939%0.392CS..Hα-helixtrans-68.6-43.1174.6-51.80000111.2L47 N139 F140 K141 T145 Y146 W147 L169 Q173L47-T143 HydrophobicContact CD2-CG2 3.94Å; N139-T143 PolarHBondContact O-N 2.88Å; N139-T143 PolarHBondContact O-OG1 2.85Å; F140-T143 WeakPolarHBondContact O-CB 3.3Å; F140-T143 PolarHBondContact O-N 3.28Å; F140-T143 VanDerWaalsContact O-N 3.09Å; K141-T143 VanDerWaalsContact C-N 3.28Å; K141-T143 PolarHBondContact O-N 2.81Å; T143-T145 PolarHBondContact O-N 2.69Å; T143-Y146 PolarHBondContact O-N 2.85Å; T143-W147 PolarHBondContact O-N 2.98Å; T143-L169 HydrophobicContact CG2-CD1 3.84Å; T143-L169 HydrophobicContact CG2-CD2 4.15Å; T143-L169 HydrophobicContact CG2-CG 4.27Å; T143-Q173 VanDerWaalsContact CB-NE2 3.3Å; T143-Q173 PolarHBondContact OG1-NE2 2.71Å
144L91Very high90.8Very high15 Ų1569.4 Ų69.48%0.07939%0.386CS..Hα-helixtrans-60.3-29.3178.6-76.5165.8000113.1F140 K141 Y146 W147 L169 E196F140-L144 HydrophobicContact CD1-CD1 3.67Å; F140-L144 HydrophobicContact CD2-CD1 4.35Å; F140-L144 HydrophobicContact CD2-CG 4.41Å; F140-L144 HydrophobicContact CE1-CD1 3.3Å; F140-L144 HydrophobicContact CE1-CG 4.22Å; F140-L144 HydrophobicContact CE2-CD1 4.03Å; F140-L144 HydrophobicContact CE2-CD2 4.32Å; F140-L144 HydrophobicContact CE2-CG 4.06Å; F140-L144 HydrophobicContact CG-CD1 4.19Å; F140-L144 HydrophobicContact CZ-CD1 3.5Å; F140-L144 VanDerWaalsContact CZ-CD1 3.5Å; F140-L144 HydrophobicContact CZ-CD2 4.13Å; F140-L144 HydrophobicContact CZ-CG 3.96Å; F140-L144 WeakPolarHBondContact O-CG 3.1Å; F140-L144 PolarHBondContact O-N 2.94Å; K141-L144 PolarHBondContact O-N 2.75Å; L144-Y146 PolarHBondContact O-N 3.12Å; L144-Y146 VanDerWaalsContact O-N 3.16Å; L144-W147 HydrophobicContact CD2-CD2 4.48Å; L144-W147 HydrophobicContact CD2-CE3 4.32Å; L144-W147 PolarHBondContact O-N 3.16Å; L144-L169 HydrophobicContact CD2-CD2 3.9Å; L144-L169 HydrophobicContact CG-CD2 4.42Å; L144-E196 HydrophobicContact CD1-CG 3.79Å
145T90.6Very high90.5Very high100 Ų10066 Ų6661%0.61336%0.361SS*.THydrogen-bonded Turntrans-63.6-19.8175.158.70000114K141 A142 T143K141-T145 PolarHBondContact O-N 3.21Å; K141-T145 VanDerWaalsContact O-N 3.16Å; A142-T145 PolarHBondContact O-OG1 2.78Å; T143-T145 PolarHBondContact O-N 2.69Å
146Y90.9Very high90.1Very high67 Ų6760.2 Ų60.226%0.26333%0.33SS..THydrogen-bonded Turntrans-103.5-3.8175.4-58.5-76.6000112.9L47 K48 R53 A142 T143 L144L47-Y146 WeakPolarHBondContact CA-O 3.32Å; K48-Y146 PolarHBondContact N-O 3.04Å; R53-Y146 HydrophobicContact CB-CE1 4.23Å; R53-Y146 HydrophobicContact CG-CD1 3.87Å; R53-Y146 HydrophobicContact CG-CD2 4.45Å; R53-Y146 HydrophobicContact CG-CE1 3.7Å; R53-Y146 HydrophobicContact CG-CE2 4.3Å; R53-Y146 HydrophobicContact CG-CG 4.25Å; A142-Y146 WeakPolarHBondContact O-CD2 3.43Å; A142-Y146 WeakPolarHBondContact O-CE2 3.45Å; T143-Y146 PolarHBondContact O-N 2.85Å; L144-Y146 PolarHBondContact O-N 3.12Å; L144-Y146 VanDerWaalsContact O-N 3.16Å
147W92.9Very high89.6Confident23 Ų2363.6 Ų63.69%0.08734%0.341CS..EExtended strand (participates in β ladder)trans-91.7114.1177.3-178.191.5000108.4V43 W44 Q46 L47 T143 L144 R149 I164 I166 L169V43-W147 HydrophobicContact CG1-CH2 3.77Å; V43-W147 HydrophobicContact CG1-CZ2 4.41Å; W44-W147 WeakPolarHBondContact O-CH2 3.4Å; W44-W147 WeakPolarHBondContact O-CZ2 3.42Å; Q46-W147 WeakPolarHBondContact O-CA 3.22Å; L47-W147 HydrophobicContact CD2-CB 3.9Å; L47-W147 HydrophobicContact CD2-CG 4.5Å; T143-W147 PolarHBondContact O-N 2.98Å; L144-W147 HydrophobicContact CD2-CD2 4.48Å; L144-W147 HydrophobicContact CD2-CE3 4.32Å; L144-W147 PolarHBondContact O-N 3.16Å; W147-R149 HydrophobicContact CH2-CB 3.91Å; W147-R149 HydrophobicContact CH2-CG 4.01Å; W147-R149 HydrophobicContact CZ3-CB 3.74Å; W147-R149 HydrophobicContact CZ3-CG 4.29Å; W147-I164 PolarHBondContact NE1-O 3.44Å; W147-I166 HydrophobicContact CH2-CD1 3.88Å; W147-I166 HydrophobicContact CH2-CG1 3.76Å; W147-I166 HydrophobicContact CZ2-CD1 4.37Å; W147-I166 HydrophobicContact CZ2-CG1 3.73Å; W147-I166 HydrophobicContact CZ3-CD1 4.12Å; W147-I166 HydrophobicContact CZ3-CG1 4.22Å; W147-L169 HydrophobicContact CB-CD2 4.3Å; W147-L169 HydrophobicContact CG-CD2 4.12Å
148N91.1Very high89.4Confident80 Ų8064.3 Ų64.343%0.42834%0.343SS..EExtended strand (participates in β ladder)trans-96.8123.6175.2-59.8-51.4000109G45 Q46 K48 L150G45-N148 CarbonylContact C-O 3.51Å; G45-N148 WeakPolarHBondContact CA-O 3.45Å; Q46-N148 PolarHBondContact N-O 2.9Å; Q46-N148 PolarHBondContact O-N 3.43Å; K48-N148 WeakPolarHBondContact CE-ND2 3.18Å; K48-N148 WeakPolarHBondContact CG-ND2 3.48Å; N148-L150 PolarHBondContact O-N 3.41Å
149R91.6Very high89.2Confident136 Ų13663.9 Ų63.951%0.51334%0.336SS..EExtended strand (participates in β ladder)trans-57.2135.1173.2-169.5-168.864.1-176.12.3110.2V43 W147V43-R149 HydrophobicContact CG1-CG 4.47Å; W147-R149 HydrophobicContact CH2-CB 3.91Å; W147-R149 HydrophobicContact CH2-CG 4.01Å; W147-R149 HydrophobicContact CZ3-CB 3.74Å; W147-R149 HydrophobicContact CZ3-CG 4.29Å
150L91.8Very high88.9Confident16 Ų1662.2 Ų62.28%0.08433%0.326CS..PPolyproline II helixtrans-66.5139.9171-80.4-167.9000111.4W44 Q46 N148 E152 P159 I160W44-L150 HydrophobicContact CB-CB 4.47Å; W44-L150 HydrophobicContact CB-CD1 3.91Å; W44-L150 HydrophobicContact CB-CG 4.43Å; W44-L150 WeakPolarHBondContact O-CB 3.32Å; W44-L150 PolarHBondContact O-N 3.39Å; Q46-L150 HydrophobicContact CG-CD2 4.09Å; N148-L150 PolarHBondContact O-N 3.41Å; L150-E152 WeakPolarHBondContact CB-OE2 3.39Å; L150-E152 PolarHBondContact O-N 2.86Å; L150-P159 HydrophobicContact CD1-CG 3.46Å; L150-P159 VanDerWaalsContact CD1-CG 3.46Å; L150-I160 HydrophobicContact CD1-CD1 3.88Å; L150-I160 HydrophobicContact CD1-CG1 3.84Å; L150-I160 HydrophobicContact CD2-CD1 3.77Å
151P84.2Confident88.6Confident115 Ų11566.6 Ų66.675%0.74736%0.355SS*.SBendtrans-72.2-16176.230.3-37.1000113.6
152E80.1Confident88.4Confident82 Ų8268.3 Ų68.338%0.38337%0.369SS..SBendtrans-62152.1-177.8-69.476.1-170.300112.4L150L150-E152 WeakPolarHBondContact CB-OE2 3.39Å; L150-E152 PolarHBondContact O-N 2.86Å
153P84.9Confident88.3Confident112 Ų11266.1 Ų66.173%0.72735%0.351SS*.PPolyproline II helixtrans-53.5150169.5-23.933.9000111.9C155P153-C155 PolarHBondContact O-N 2.98Å
154L89.2Confident88.3Confident57 Ų5765.5 Ų65.530%0.29835%0.346SS..PPolyproline II helixtrans-56.7133.1172.5-61.3-179.2000109.6I42 V43 F200 L203I42-L154 HydrophobicContact CD1-CB 3.94Å; I42-L154 HydrophobicContact CD1-CD1 4.07Å; I42-L154 HydrophobicContact CG1-CB 4.25Å; I42-L154 HydrophobicContact CG1-CD1 4.38Å; I42-L154 WeakPolarHBondContact O-CD2 3.44Å; V43-L154 HydrophobicContact CB-CD2 4.37Å; V43-L154 HydrophobicContact CG2-CD2 3.88Å; L154-F200 HydrophobicContact CD1-CD1 4.05Å; L154-F200 HydrophobicContact CD1-CE1 4.28Å; L154-F200 HydrophobicContact CD2-CD1 4.29Å; L154-F200 HydrophobicContact CD2-CE1 3.73Å; L154-F200 HydrophobicContact CD2-CZ 4.42Å; L154-F200 HydrophobicContact CG-CE1 4.36Å; L154-L203 HydrophobicContact CD1-CD2 3.22Å
155C86.8Confident88.4Confident38 Ų3864.9 Ų64.926%0.25734%0.343SS..  trans-145.8147.3-177.551.90000109.2I42 W44 P153 R157I42-C155 WeakPolarHBondContact CB-O 3.24Å; W44-C155 PolarHBondContact NE1-O 2.95Å; P153-C155 PolarHBondContact O-N 2.98Å; C155-R157 VanDerWaalsContact C-N 3.32Å; C155-R157 PolarHBondContact SG-O 3.34Å
156I86.8Confident88.5Confident8 Ų860.2 Ų60.24%0.04131%0.314CS..SBendtrans-71.5-37.8-177.8-60.1171.7000110Y38 I42 R433 Q494 A495 D496Y38-I156 WeakPolarHBondContact OH-CD1 3.35Å; Y38-I156 WeakPolarHBondContact OH-CG1 3.19Å; I42-I156 HydrophobicContact CG2-CG1 4.12Å; I156-R433 PolarHBondContact O-NH1 2.9Å; I156-Q494 HydrophobicContact CG2-CG 3.93Å; I156-A495 WeakPolarHBondContact CD1-O 3.42Å; I156-D496 HydrophobicContact CD1-CB 3.31Å
157R83.9Confident88.6Confident115 Ų11559.2 Ų59.243%0.43431%0.31SS..SBendtrans-77.7152.2175.9-57.7-170.4-166.3-174.416.5111W44 C155 P159 E488W44-R157 PolarHBondContact NE1-O 2.89Å; C155-R157 VanDerWaalsContact C-N 3.32Å; C155-R157 PolarHBondContact SG-O 3.34Å; R157-P159 VanDerWaalsContact O-CD 3.26Å; R157-P159 WeakPolarHBondContact O-CD 3.46Å; R157-P159 VanDerWaalsContact O-N 3.17Å; R157-E488 VanDerWaalsContact CZ-CD 3.47Å; R157-E488 IonicContact CZ-OE1 3.36Å; R157-E488 VanDerWaalsContact CZ-OE1 3.25Å; R157-E488 IonicContact CZ-OE2 3.22Å; R157-E488 IonicContact NE-OE1 3.91Å; R157-E488 IonicContact NH1-OE1 3.59Å; R157-E488 IonicContact NH1-OE2 3.11Å; R157-E488 PolarHBondContact NH1-OE2 2.98Å; R157-E488 IonicContact NH2-OE1 3.97Å; R157-E488 PolarHBondContact NH2-OE1 3.46Å; R157-E488 IonicContact NH2-OE2 3.15Å; R157-E488 PolarHBondContact NH2-OE2 3.01Å
158Q87.4Confident88.5Confident61 Ų6159.2 Ų59.229%0.28531%0.311SS..  trans-56.4116.6161.6-169.2-176.322.200109.2W44 I160 S163 E435W44-Q158 HydrophobicContact CE3-CB 4.38Å; W44-Q158 HydrophobicContact CE3-CG 4.06Å; W44-Q158 HydrophobicContact CH2-CB 3.66Å; W44-Q158 HydrophobicContact CH2-CG 4.08Å; W44-Q158 HydrophobicContact CZ2-CB 4.12Å; W44-Q158 VanDerWaalsContact CZ2-N 3.35Å; W44-Q158 HydrophobicContact CZ3-CB 3.8Å; W44-Q158 HydrophobicContact CZ3-CG 3.67Å; Q158-I160 WeakPolarHBondContact CG-O 3.22Å; Q158-S163 WeakPolarHBondContact CG-OG 3.45Å; Q158-S163 PolarHBondContact NE2-O 2.99Å; Q158-E435 HydrophobicContact CB-CG 4.45Å
159P88.2Confident88.5Confident46 Ų4655.8 Ų55.830%0.29929%0.293SS..SBendtrans-74.2-33-172.825.8-33.3000112.8W44 L150 R157W44-P159 HydrophobicContact CB-CG 4.05Å; W44-P159 VanDerWaalsContact CG-CD 3.49Å; W44-P159 HydrophobicContact CG-CG 4.01Å; L150-P159 HydrophobicContact CD1-CG 3.46Å; L150-P159 VanDerWaalsContact CD1-CG 3.46Å; R157-P159 VanDerWaalsContact O-CD 3.26Å; R157-P159 WeakPolarHBondContact O-CD 3.46Å; R157-P159 VanDerWaalsContact O-N 3.17Å
160I87.9Confident88.6Confident51 Ų5149.3 Ų49.326%0.26227%0.268SS..SBendtrans-142.7150.6-179.961-179.5000110.8Q46 L150 Q158 S163Q46-I160 HydrophobicContact CG-CD1 4.44Å; L150-I160 HydrophobicContact CD1-CD1 3.88Å; L150-I160 HydrophobicContact CD1-CG1 3.84Å; L150-I160 HydrophobicContact CD2-CD1 3.77Å; Q158-I160 WeakPolarHBondContact CG-O 3.22Å; I160-S163 WeakPolarHBondContact O-CB 3.35Å; I160-S163 PolarHBondContact O-N 3.43Å; I160-S163 PolarHBondContact O-OG 3.17Å
161P85.7Confident88.6Confident95 Ų9549.6 Ų49.662%0.61727%0.269SS*.THydrogen-bonded Turntrans-52.1149.7174.2-26.935.1000112.6S163P161-S163 PolarHBondContact O-N 3.42Å; P161-S163 VanDerWaalsContact O-N 3.09Å
162N86.3Confident88.9Confident136 Ų13651.5 Ų51.573%0.72727%0.266SS*.THydrogen-bonded Turntrans62.54.6-178.8-52.8-41.7000116.4
163S91.1Very high89.5Confident5 Ų549.3 Ų49.34%0.03526%0.256CS..  trans-79152.1169.462.60000111.4G45 Q158 I160 P161G45-S163 CarbonylContact O-C 3.56Å; G45-S163 VanDerWaalsContact O-CA 3.25Å; G45-S163 WeakPolarHBondContact O-CA 3.17Å; G45-S163 WeakPolarHBondContact O-CB 3.06Å; Q158-S163 WeakPolarHBondContact CG-OG 3.45Å; Q158-S163 PolarHBondContact NE2-O 2.99Å; I160-S163 WeakPolarHBondContact O-CB 3.35Å; I160-S163 PolarHBondContact O-N 3.43Å; I160-S163 PolarHBondContact O-OG 3.17Å; P161-S163 PolarHBondContact O-N 3.42Å; P161-S163 VanDerWaalsContact O-N 3.09Å
164I91.4Very high89.9Confident17 Ų1744.2 Ų44.29%0.08722%0.222CC..EExtended strand (participates in β ladder)trans-138.4135.8179.8-168.9169.2000109.9G45 W147 K168 L169 K172G45-I164 PolarHBondContact N-O 2.95Å; G45-I164 PolarHBondContact O-N 2.69Å; W147-I164 PolarHBondContact NE1-O 3.44Å; I164-K168 HydrophobicContact CD1-CB 4.2Å; I164-K168 HydrophobicContact CG1-CB 3.71Å; I164-L169 HydrophobicContact CD1-CB 4.19Å; I164-L169 HydrophobicContact CD1-CD1 4.16Å; I164-L169 HydrophobicContact CG1-CB 4.32Å; I164-L169 HydrophobicContact CG2-CB 4.48Å; I164-L169 HydrophobicContact CG2-CD1 4.19Å; I164-K172 HydrophobicContact CD1-CD 3.78Å
165S92.8Very high89.8Confident2 Ų243.1 Ų43.11%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-75.3157.5176.270.10000111.7G41 V43 W44 Y167 K168 L169G41-S165 WeakPolarHBondContact O-CB 3.38Å; G41-S165 PolarHBondContact O-OG 3.39Å; V43-S165 CarbonylContact O-C 3.48Å; V43-S165 WeakPolarHBondContact O-CA 3.39Å; V43-S165 WeakPolarHBondContact O-CB 3.43Å; W44-S165 VanDerWaalsContact CE3-N 3.3Å; S165-Y167 PolarHBondContact O-N 3.43Å; S165-K168 PolarHBondContact O-N 3.38Å; S165-K168 WeakPolarHBondContact OG-CB 3.23Å; S165-K168 WeakPolarHBondContact OG-CG 3.48Å; S165-K168 PolarHBondContact OG-N 2.9Å; S165-L169 WeakPolarHBondContact O-CB 3.32Å; S165-L169 PolarHBondContact O-N 3.37Å
166I93.4Very high89.9Confident3 Ų348.7 Ų48.72%0.01524%0.237CC..Hα-helixtrans-56.7-42.3176-71.8178.7000110.8V43 F140 W147 L169 L170 L188 F191V43-I166 HydrophobicContact CB-CD1 4.16Å; V43-I166 HydrophobicContact CB-CG1 4.44Å; V43-I166 HydrophobicContact CG1-CD1 3.74Å; V43-I166 HydrophobicContact CG1-CG1 4.23Å; V43-I166 PolarHBondContact O-N 3.17Å; F140-I166 HydrophobicContact CZ-CG2 4.15Å; W147-I166 HydrophobicContact CH2-CD1 3.88Å; W147-I166 HydrophobicContact CH2-CG1 3.76Å; W147-I166 HydrophobicContact CZ2-CD1 4.37Å; W147-I166 HydrophobicContact CZ2-CG1 3.73Å; W147-I166 HydrophobicContact CZ3-CD1 4.12Å; W147-I166 HydrophobicContact CZ3-CG1 4.22Å; I166-L169 PolarHBondContact O-N 2.87Å; I166-L170 PolarHBondContact O-N 3.39Å; I166-L188 HydrophobicContact CG2-CD2 4.46Å; I166-F191 HydrophobicContact CD1-CE2 3.67Å; I166-F191 HydrophobicContact CD1-CZ 3.62Å; I166-F191 HydrophobicContact CG2-CD2 4.47Å; I166-F191 HydrophobicContact CG2-CE2 3.95Å
167Y93.1Very high89.8Confident45 Ų4553.8 Ų53.818%0.17626%0.264CS..Hα-helixtrans-56.6-55174.2-176.9-85.1000111.8S40 S165 L169 L170 E171 I184 L188S40-Y167 PolarHBondContact O-N 3.29Å; S165-Y167 PolarHBondContact O-N 3.43Å; Y167-L169 VanDerWaalsContact C-N 3.29Å; Y167-L169 PolarHBondContact O-N 2.84Å; Y167-L170 PolarHBondContact O-N 2.93Å; Y167-E171 HydrophobicContact CE1-CB 4.4Å; Y167-E171 WeakPolarHBondContact O-CB 3.22Å; Y167-E171 PolarHBondContact O-N 3.09Å; Y167-I184 HydrophobicContact CD2-CG2 4.28Å; Y167-I184 HydrophobicContact CE2-CG2 3.9Å; Y167-L188 HydrophobicContact CD2-CD1 3.57Å; Y167-L188 HydrophobicContact CE2-CD1 4.26Å; Y167-L188 HydrophobicContact CG-CD1 4.32Å
168K90.4Very high89.5Confident24 Ų2450.1 Ų50.110%0.10425%0.254CS..Hα-helixtrans-65.4-33.2-177.7-74.9-70.9-166164.40112I164 S165 E171 K172 D437 S439I164-K168 HydrophobicContact CD1-CB 4.2Å; I164-K168 HydrophobicContact CG1-CB 3.71Å; S165-K168 PolarHBondContact O-N 3.38Å; S165-K168 WeakPolarHBondContact OG-CB 3.23Å; S165-K168 WeakPolarHBondContact OG-CG 3.48Å; S165-K168 PolarHBondContact OG-N 2.9Å; K168-E171 WeakPolarHBondContact CD-OE2 3.11Å; K168-E171 IonicContact NZ-OE2 2.72Å; K168-E171 PolarHBondContact O-N 2.76Å; K168-K172 WeakPolarHBondContact O-CG 3.27Å; K168-K172 PolarHBondContact O-N 2.9Å; K168-D437 IonicContact NZ-OD2 2.67Å; K168-D437 PolarHBondContact NZ-OD2 2.87Å; K168-S439 PolarHBondContact NZ-OG 3.21Å
169L92.5Very high89.3Confident7 Ų748.6 Ų48.64%0.03725%0.251CS..Hα-helixtrans-62.9-46174.9-174.467.3000111.1L47 F140 T143 L144 W147 I164 S165 I166 Y167L47-L169 HydrophobicContact CD1-CD1 4.16Å; L47-L169 HydrophobicContact CD2-CD1 4.3Å; F140-L169 HydrophobicContact CE2-CD2 4.17Å; F140-L169 HydrophobicContact CE2-CG 4.26Å; T143-L169 HydrophobicContact CG2-CD1 3.84Å; T143-L169 HydrophobicContact CG2-CD2 4.15Å; T143-L169 HydrophobicContact CG2-CG 4.27Å; L144-L169 HydrophobicContact CD2-CD2 3.9Å; L144-L169 HydrophobicContact CG-CD2 4.42Å; W147-L169 HydrophobicContact CB-CD2 4.3Å; W147-L169 HydrophobicContact CG-CD2 4.12Å; I164-L169 HydrophobicContact CD1-CB 4.19Å; I164-L169 HydrophobicContact CD1-CD1 4.16Å; I164-L169 HydrophobicContact CG1-CB 4.32Å; I164-L169 HydrophobicContact CG2-CB 4.48Å; I164-L169 HydrophobicContact CG2-CD1 4.19Å; S165-L169 WeakPolarHBondContact O-CB 3.32Å; S165-L169 PolarHBondContact O-N 3.37Å; I166-L169 PolarHBondContact O-N 2.87Å; Y167-L169 VanDerWaalsContact C-N 3.29Å; Y167-L169 PolarHBondContact O-N 2.84Å
170L93.3Very high89.4Confident0 Ų047.3 Ų47.30%024%0.241CC..Hα-helixtrans-68.8-38.8175.1-17262.8000111.4L132 F140 I166 Y167 K172 Q173 I174 I184 Y187 L188L132-L170 HydrophobicContact CD1-CD1 4.11Å; L132-L170 HydrophobicContact CD1-CD2 4.3Å; F140-L170 HydrophobicContact CB-CD1 4.13Å; F140-L170 HydrophobicContact CD1-CD1 3.94Å; F140-L170 HydrophobicContact CD2-CB 4.22Å; F140-L170 HydrophobicContact CD2-CD1 3.56Å; F140-L170 HydrophobicContact CD2-CG 4.47Å; F140-L170 HydrophobicContact CE1-CD1 4.19Å; F140-L170 HydrophobicContact CE2-CB 3.71Å; F140-L170 HydrophobicContact CE2-CD1 3.85Å; F140-L170 HydrophobicContact CE2-CG 4.32Å; F140-L170 HydrophobicContact CG-CD1 3.6Å; F140-L170 HydrophobicContact CZ-CB 4.02Å; F140-L170 HydrophobicContact CZ-CD1 4.15Å; F140-L170 HydrophobicContact CZ-CG 4.47Å; I166-L170 PolarHBondContact O-N 3.39Å; Y167-L170 PolarHBondContact O-N 2.93Å; L170-K172 PolarHBondContact O-N 3.15Å; L170-Q173 PolarHBondContact O-N 2.92Å; L170-Q173 VanDerWaalsContact O-N 3.12Å; L170-I174 HydrophobicContact CD1-CD1 4.22Å; L170-I174 HydrophobicContact CD1-CG1 3.54Å; L170-I174 HydrophobicContact CG-CG1 3.96Å; L170-I174 WeakPolarHBondContact O-CG1 3.46Å; L170-I174 PolarHBondContact O-N 3.32Å; L170-I184 HydrophobicContact CD2-CG1 4.42Å; L170-I184 HydrophobicContact CD2-CG2 4.11Å; L170-I184 HydrophobicContact CG-CG1 4.32Å; L170-Y187 HydrophobicContact CD2-CD1 3.48Å; L170-Y187 VanDerWaalsContact CD2-CD1 3.48Å; L170-Y187 HydrophobicContact CD2-CE1 3.96Å; L170-Y187 HydrophobicContact CD2-CG 4.49Å; L170-L188 HydrophobicContact CD2-CD1 4.05Å; L170-L188 HydrophobicContact CD2-CD2 3.93Å; L170-L188 HydrophobicContact CD2-CG 3.87Å
171E92Very high89.4Confident23 Ų2347.3 Ų47.311%0.10724%0.238CC..Hα-helixtrans-55-49.6176.7-162.1-176.8-151.800111.4Y167 K168 Q173 I174 V175 R181 I184Y167-E171 HydrophobicContact CE1-CB 4.4Å; Y167-E171 WeakPolarHBondContact O-CB 3.22Å; Y167-E171 PolarHBondContact O-N 3.09Å; K168-E171 WeakPolarHBondContact CD-OE2 3.11Å; K168-E171 IonicContact NZ-OE2 2.72Å; K168-E171 PolarHBondContact O-N 2.76Å; E171-Q173 PolarHBondContact O-N 3.47Å; E171-I174 PolarHBondContact O-N 3.02Å; E171-V175 HydrophobicContact CB-CG2 4.42Å; E171-V175 HydrophobicContact CG-CB 4.09Å; E171-V175 HydrophobicContact CG-CG2 3.51Å; E171-V175 WeakPolarHBondContact O-CB 3.47Å; E171-V175 PolarHBondContact O-N 3.15Å; E171-R181 IonicContact OE1-CZ 2.64Å; E171-R181 IonicContact OE1-NE 3.76Å; E171-R181 PolarHBondContact OE1-NE 2.72Å; E171-R181 VanDerWaalsContact OE1-NE 3.12Å; E171-R181 IonicContact OE1-NH2 2.72Å; E171-R181 PolarHBondContact OE1-NH2 2.64Å; E171-I184 HydrophobicContact CB-CD1 4.14Å; E171-I184 HydrophobicContact CG-CD1 4.22Å
172K90.6Very high89.5Confident154 Ų15442.8 Ų42.867%0.6721%0.208SC*.Hα-helixtrans-59.8-30.9178.5-73.9-174.6-179.4-175.60113.7I164 K168 L170I164-K172 HydrophobicContact CD1-CD 3.78Å; K168-K172 WeakPolarHBondContact O-CG 3.27Å; K168-K172 PolarHBondContact O-N 2.9Å; L170-K172 PolarHBondContact O-N 3.15Å
173Q92.2Very high89.7Confident37 Ų3737.2 Ų37.217%0.17318%0.177CC..Hα-helixtrans-82.1-44.7-179.2-65.5-173.234.600112.2N139 F140 T143 L170 E171 K176N139-Q173 PolarHBondContact ND2-OE1 3.28Å; F140-Q173 VanDerWaalsContact CA-OE1 3.3Å; T143-Q173 VanDerWaalsContact CB-NE2 3.3Å; T143-Q173 PolarHBondContact OG1-NE2 2.71Å; L170-Q173 PolarHBondContact O-N 2.92Å; L170-Q173 VanDerWaalsContact O-N 3.12Å; E171-Q173 PolarHBondContact O-N 3.47Å; Q173-K176 PolarHBondContact O-NZ 2.94Å
174I92.6Very high89.8Confident4 Ų437 Ų372%0.02118%0.176CC..Hα-helixtrans-94.5-40.2-167.8-55.4-54000112.7L132 E136 L170 E171 K176 I184L132-I174 HydrophobicContact CD1-CG1 4.47Å; L132-I174 HydrophobicContact CD2-CB 4.5Å; L132-I174 HydrophobicContact CD2-CD1 4.05Å; L132-I174 HydrophobicContact CD2-CG1 4.01Å; L132-I174 HydrophobicContact CD2-CG2 3.68Å; E136-I174 HydrophobicContact CB-CD1 3.69Å; E136-I174 HydrophobicContact CG-CD1 3.78Å; L170-I174 HydrophobicContact CD1-CD1 4.22Å; L170-I174 HydrophobicContact CD1-CG1 3.54Å; L170-I174 HydrophobicContact CG-CG1 3.96Å; L170-I174 WeakPolarHBondContact O-CG1 3.46Å; L170-I174 PolarHBondContact O-N 3.32Å; E171-I174 PolarHBondContact O-N 3.02Å; I174-K176 PolarHBondContact O-N 2.98Å; I174-I184 HydrophobicContact CB-CD1 4.1Å; I174-I184 HydrophobicContact CB-CG1 4.05Å; I174-I184 HydrophobicContact CG2-CD1 4.44Å; I174-I184 HydrophobicContact CG2-CG1 4.02Å
175V88.5Confident89.7Confident34 Ų3438.3 Ų38.321%0.20618%0.18CC..  trans-76.6111-173.1-175.70000110.3E171 L177 D180 R181 I184E171-V175 HydrophobicContact CB-CG2 4.42Å; E171-V175 HydrophobicContact CG-CB 4.09Å; E171-V175 HydrophobicContact CG-CG2 3.51Å; E171-V175 WeakPolarHBondContact O-CB 3.47Å; E171-V175 PolarHBondContact O-N 3.15Å; V175-L177 WeakPolarHBondContact CG1-O 3.39Å; V175-D180 HydrophobicContact CB-CB 4.44Å; V175-D180 HydrophobicContact CG1-CB 4.47Å; V175-D180 HydrophobicContact CG2-CB 4.33Å; V175-R181 HydrophobicContact CG1-CG 4.46Å; V175-R181 HydrophobicContact CG2-CG 4.09Å; V175-I184 HydrophobicContact CG2-CD1 3.32Å; V175-I184 HydrophobicContact CG2-CG1 4.45Å
176K88.3Confident89.5Confident155 Ų15541.5 Ų41.567%0.67419%0.193SC*.SBendtrans-109.5-34.8167.2-55.1-55.5172.2-157.50110.7Q173 I174 D180Q173-K176 PolarHBondContact O-NZ 2.94Å; I174-K176 PolarHBondContact O-N 2.98Å; K176-D180 PolarHBondContact N-OD2 3.41Å
177L85.3Confident89.4Confident116 Ų11643.9 Ų43.961%0.60720%0.202SC*.SBendtrans-121154.5172.8-61.7175.1000109.3V175 S179 D180V175-L177 WeakPolarHBondContact CG1-O 3.39Å; L177-S179 PolarHBondContact O-N 2.9Å; L177-D180 PolarHBondContact N-OD2 3.22Å; L177-D180 WeakPolarHBondContact O-CB 3.25Å; L177-D180 PolarHBondContact O-N 2.96Å
178T76.3Confident89.4Confident37 Ų3741.8 Ų41.823%0.22719%0.194CC..G310 helixtrans-54.6-30.5178.668.10000113D180 R181 K402 Y406T178-D180 VanDerWaalsContact C-N 3.26Å; T178-D180 PolarHBondContact O-N 3.24Å; T178-R181 PolarHBondContact O-N 2.81Å; T178-K402 HydrophobicContact CG2-CG 4.45Å; T178-K402 WeakPolarHBondContact OG1-CE 3.33Å; T178-Y406 WeakPolarHBondContact CB-OH 3.39Å; T178-Y406 HydrophobicContact CG2-CD2 4.48Å; T178-Y406 HydrophobicContact CG2-CE2 3.37Å; T178-Y406 WeakPolarHBondContact CG2-OH 3.42Å
179S83.7Confident89.5Confident29 Ų2940.7 Ų40.720%0.20319%0.19CC..G310 helixtrans-64.3-27.5178.649.90000113.1G126 E127 N128 L177 R181 G182G126-S179 WeakPolarHBondContact O-CA 3.22Å; G126-S179 WeakPolarHBondContact O-CB 3.5Å; E127-S179 WeakPolarHBondContact CA-O 3.33Å; N128-S179 PolarHBondContact N-O 3.44Å; L177-S179 PolarHBondContact O-N 2.9Å; S179-R181 PolarHBondContact O-N 3.45Å; S179-R181 VanDerWaalsContact O-N 3.14Å; S179-G182 PolarHBondContact O-N 2.72Å
180D89.8Confident89.5Confident19 Ų1943.9 Ų43.910%0.10221%0.207CC..G310 helixtrans-66.6-16.4-177.4-64.3-37.7000113.2V175 K176 L177 T178 G182 R183 I184V175-D180 HydrophobicContact CB-CB 4.44Å; V175-D180 HydrophobicContact CG1-CB 4.47Å; V175-D180 HydrophobicContact CG2-CB 4.33Å; K176-D180 PolarHBondContact N-OD2 3.41Å; L177-D180 PolarHBondContact N-OD2 3.22Å; L177-D180 WeakPolarHBondContact O-CB 3.25Å; L177-D180 PolarHBondContact O-N 2.96Å; T178-D180 VanDerWaalsContact C-N 3.26Å; T178-D180 PolarHBondContact O-N 3.24Å; D180-G182 PolarHBondContact O-N 2.88Å; D180-R183 WeakPolarHBondContact O-CB 3.34Å; D180-R183 PolarHBondContact O-N 3.03Å; D180-I184 PolarHBondContact O-N 3.48Å
181R87.5Confident89.6Confident51 Ų5144 Ų4419%0.19221%0.207CC..Hα-helixtrans-58.2-31.3176.6-73.3-178.3162.7170.6-1.8112.8E171 V175 T178 S179 R183 I184 R185E171-R181 IonicContact OE1-CZ 2.64Å; E171-R181 IonicContact OE1-NE 3.76Å; E171-R181 PolarHBondContact OE1-NE 2.72Å; E171-R181 VanDerWaalsContact OE1-NE 3.12Å; E171-R181 IonicContact OE1-NH2 2.72Å; E171-R181 PolarHBondContact OE1-NH2 2.64Å; V175-R181 HydrophobicContact CG1-CG 4.46Å; V175-R181 HydrophobicContact CG2-CG 4.09Å; T178-R181 PolarHBondContact O-N 2.81Å; S179-R181 PolarHBondContact O-N 3.45Å; S179-R181 VanDerWaalsContact O-N 3.14Å; R181-R183 VanDerWaalsContact C-N 3.31Å; R181-R183 PolarHBondContact O-N 3.38Å; R181-I184 PolarHBondContact O-N 3.27Å; R181-R185 WeakPolarHBondContact O-CG 3.48Å; R181-R185 PolarHBondContact O-N 2.97Å
182G87.9Confident89.8Confident0 Ų043 Ų430%020%0.203CC..Hα-helixtrans-62-37.717500000112.8N128 F129 S179 D180 R185 K186N128-G182 CarbonylContact O-C 3.53Å; N128-G182 WeakPolarHBondContact O-CA 3.29Å; F129-G182 WeakPolarHBondContact CD2-O 3.46Å; S179-G182 PolarHBondContact O-N 2.72Å; D180-G182 PolarHBondContact O-N 2.88Å; G182-R185 PolarHBondContact O-N 3.44Å; G182-K186 WeakPolarHBondContact O-CB 3.42Å; G182-K186 PolarHBondContact O-N 2.76Å
183R91.8Very high89.9Confident19 Ų1942 Ų427%0.07220%0.2CC..Hα-helixtrans-65.3-41.8178.7-50.5173.165.5-146.7-4.2111.3N128 E130 N131 L132 E136 D180 R181 Y187N128-R183 HydrophobicContact CB-CG 4.14Å; N128-R183 WeakPolarHBondContact O-CG 3.47Å; N128-R183 PolarHBondContact O-N 3.02Å; E130-R183 WeakPolarHBondContact O-CB 3.25Å; E130-R183 WeakPolarHBondContact O-CG 3.3Å; N131-R183 PolarHBondContact O-NH2 2.78Å; L132-R183 HydrophobicContact CD2-CB 3.99Å; E136-R183 VanDerWaalsContact CD-NH2 3.3Å; E136-R183 IonicContact OE1-CZ 2.81Å; E136-R183 IonicContact OE1-NH1 2.61Å; E136-R183 PolarHBondContact OE1-NH1 2.91Å; E136-R183 IonicContact OE1-NH2 3.5Å; E136-R183 PolarHBondContact OE1-NH2 2.9Å; E136-R183 VanDerWaalsContact OE1-NH2 3.11Å; E136-R183 IonicContact OE2-CZ 3.3Å; E136-R183 IonicContact OE2-NH1 2.78Å; E136-R183 IonicContact OE2-NH2 2.7Å; E136-R183 PolarHBondContact OE2-NH2 3.38Å; D180-R183 WeakPolarHBondContact O-CB 3.34Å; D180-R183 PolarHBondContact O-N 3.03Å; R181-R183 VanDerWaalsContact C-N 3.31Å; R181-R183 PolarHBondContact O-N 3.38Å; R183-Y187 PolarHBondContact O-N 2.78Å; R183-Y187 VanDerWaalsContact O-N 3.11Å
184I92Very high89.8Confident0 Ų041.3 Ų41.30%020%0.199CC..Hα-helixtrans-62.8-49.6175-66.9-179.6000110.5Y167 L170 E171 I174 V175 D180 R181 K186 Y187 L188Y167-I184 HydrophobicContact CD2-CG2 4.28Å; Y167-I184 HydrophobicContact CE2-CG2 3.9Å; L170-I184 HydrophobicContact CD2-CG1 4.42Å; L170-I184 HydrophobicContact CD2-CG2 4.11Å; L170-I184 HydrophobicContact CG-CG1 4.32Å; E171-I184 HydrophobicContact CB-CD1 4.14Å; E171-I184 HydrophobicContact CG-CD1 4.22Å; I174-I184 HydrophobicContact CB-CD1 4.1Å; I174-I184 HydrophobicContact CB-CG1 4.05Å; I174-I184 HydrophobicContact CG2-CD1 4.44Å; I174-I184 HydrophobicContact CG2-CG1 4.02Å; V175-I184 HydrophobicContact CG2-CD1 3.32Å; V175-I184 HydrophobicContact CG2-CG1 4.45Å; D180-I184 PolarHBondContact O-N 3.48Å; R181-I184 PolarHBondContact O-N 3.27Å; I184-K186 VanDerWaalsContact C-N 3.26Å; I184-K186 PolarHBondContact O-N 2.86Å; I184-Y187 PolarHBondContact O-N 3.16Å; I184-Y187 VanDerWaalsContact O-N 3.13Å; I184-L188 HydrophobicContact CG2-CD1 3.52Å; I184-L188 HydrophobicContact CG2-CG 4.17Å; I184-L188 WeakPolarHBondContact O-CB 3.42Å; I184-L188 PolarHBondContact O-N 2.79Å
185R89.1Confident89.6Confident46 Ų4646 Ų4617%0.17423%0.23CC..Hα-helixtrans-62.5-36.7-178-65.5-157.1-149.586.21.1112.6F29 N37 E127 R181 G182 G189F29-R185 HydrophobicContact CD1-CB 4.43Å; F29-R185 HydrophobicContact CE1-CB 3.47Å; F29-R185 VanDerWaalsContact CE1-CB 3.47Å; F29-R185 HydrophobicContact CZ-CB 3.68Å; N37-R185 PolarHBondContact ND2-O 3.33Å; N37-R185 VanDerWaalsContact OD1-CA 3.27Å; N37-R185 WeakPolarHBondContact OD1-CA 3.47Å; E127-R185 IonicContact OE1-CZ 3.11Å; E127-R185 IonicContact OE1-NH1 2.83Å; E127-R185 PolarHBondContact OE1-NH1 3.03Å; E127-R185 IonicContact OE1-NH2 3.91Å; E127-R185 PolarHBondContact OE1-NH2 2.99Å; E127-R185 IonicContact OE2-CZ 3.91Å; E127-R185 IonicContact OE2-NH1 3.08Å; E127-R185 PolarHBondContact OE2-NH1 2.97Å; R181-R185 WeakPolarHBondContact O-CG 3.48Å; R181-R185 PolarHBondContact O-N 2.97Å; G182-R185 PolarHBondContact O-N 3.44Å; R185-G189 PolarHBondContact O-N 3.13Å
186K88.9Confident89.5Confident69 Ų6946.9 Ų46.930%0.323%0.232SC..Hα-helixtrans-60.5-48.6173.2-167.8179.7-171.2-176.10112F129 N131 G182 I184 G189F129-K186 HydrophobicContact CD1-CD 3.93Å; F129-K186 HydrophobicContact CD2-CB 4.06Å; F129-K186 HydrophobicContact CD2-CD 4.27Å; F129-K186 HydrophobicContact CD2-CG 4.48Å; F129-K186 HydrophobicContact CE1-CD 3.88Å; F129-K186 HydrophobicContact CE1-CG 4.05Å; F129-K186 HydrophobicContact CE2-CB 3.59Å; F129-K186 HydrophobicContact CE2-CD 4.23Å; F129-K186 HydrophobicContact CE2-CG 3.99Å; F129-K186 HydrophobicContact CG-CD 4.12Å; F129-K186 HydrophobicContact CZ-CB 3.87Å; F129-K186 HydrophobicContact CZ-CD 4.04Å; F129-K186 HydrophobicContact CZ-CG 3.75Å; F129-K186 VanDerWaalsContact O-CD 3.3Å; F129-K186 WeakPolarHBondContact O-CD 3.48Å; F129-K186 PolarHBondContact O-NZ 3.47Å; N131-K186 WeakPolarHBondContact OD1-CE 3.36Å; N131-K186 PolarHBondContact OD1-NZ 3.18Å; G182-K186 WeakPolarHBondContact O-CB 3.42Å; G182-K186 PolarHBondContact O-N 2.76Å; I184-K186 VanDerWaalsContact C-N 3.26Å; I184-K186 PolarHBondContact O-N 2.86Å; K186-G189 PolarHBondContact O-N 3.41Å
187Y91.5Very high89.7Confident53 Ų5339.5 Ų39.521%0.20820%0.2CC..Hα-helixtrans-66.4-48.8-179.5174.9-102.2000112.3L132 L137 F140 L170 R183 I184 G189L132-Y187 HydrophobicContact CD1-CD1 3.93Å; L132-Y187 HydrophobicContact CD1-CD2 3.99Å; L132-Y187 HydrophobicContact CD1-CG 3.62Å; L132-Y187 HydrophobicContact CG-CG 4.38Å; L137-Y187 HydrophobicContact CD1-CE2 3.62Å; L137-Y187 WeakPolarHBondContact CD1-OH 3.4Å; F140-Y187 HydrophobicContact CD1-CE1 4.27Å; F140-Y187 AromaticContact CE1-CE1 3.92Å; F140-Y187 HydrophobicContact CE1-CE1 3.92Å; L170-Y187 HydrophobicContact CD2-CD1 3.48Å; L170-Y187 VanDerWaalsContact CD2-CD1 3.48Å; L170-Y187 HydrophobicContact CD2-CE1 3.96Å; L170-Y187 HydrophobicContact CD2-CG 4.49Å; R183-Y187 PolarHBondContact O-N 2.78Å; R183-Y187 VanDerWaalsContact O-N 3.11Å; I184-Y187 PolarHBondContact O-N 3.16Å; I184-Y187 VanDerWaalsContact O-N 3.13Å; Y187-G189 PolarHBondContact O-N 2.86Å
188L94.1Very high90.1Very high1 Ų138.6 Ų38.61%0.00520%0.195CC..Hα-helixtrans-74.2-9-179.1-63.7177.8000113.1N36 S40 I166 Y167 L170 I184 N190 F191N36-L188 WeakPolarHBondContact CB-O 3.4Å; S40-L188 WeakPolarHBondContact OG-CD1 3.15Å; I166-L188 HydrophobicContact CG2-CD2 4.46Å; Y167-L188 HydrophobicContact CD2-CD1 3.57Å; Y167-L188 HydrophobicContact CE2-CD1 4.26Å; Y167-L188 HydrophobicContact CG-CD1 4.32Å; L170-L188 HydrophobicContact CD2-CD1 4.05Å; L170-L188 HydrophobicContact CD2-CD2 3.93Å; L170-L188 HydrophobicContact CD2-CG 3.87Å; I184-L188 HydrophobicContact CG2-CD1 3.52Å; I184-L188 HydrophobicContact CG2-CG 4.17Å; I184-L188 WeakPolarHBondContact O-CB 3.42Å; I184-L188 PolarHBondContact O-N 2.79Å; L188-N190 PolarHBondContact O-N 3.39Å; L188-N190 VanDerWaalsContact O-N 3.12Å; L188-F191 HydrophobicContact CD2-CD2 4.41Å; L188-F191 WeakPolarHBondContact O-CB 3.28Å; L188-F191 PolarHBondContact O-N 2.94Å
189G92.5Very high90.9Very high1 Ų140.7 Ų40.71%0.0121%0.209CC..THydrogen-bonded Turntrans-59.2-21.6174.200000114.2E33 N36 N37 R185 K186 Y187E33-G189 WeakPolarHBondContact CA-O 3.4Å; N36-G189 VanDerWaalsContact CB-O 3.29Å; N36-G189 WeakPolarHBondContact CB-O 3.24Å; N36-G189 PolarHBondContact ND2-O 3.03Å; N37-G189 WeakPolarHBondContact ND2-CA 3.49Å; N37-G189 PolarHBondContact ND2-N 2.87Å; R185-G189 PolarHBondContact O-N 3.13Å; K186-G189 PolarHBondContact O-N 3.41Å; Y187-G189 PolarHBondContact O-N 2.86Å
190N92.3Very high91.5Very high73 Ų7340.1 Ų40.139%0.3920%0.203SC..THydrogen-bonded Turntrans-115.227.6173.2-71.1-39.5000112.4L188 T192 Q193L188-N190 PolarHBondContact O-N 3.39Å; L188-N190 VanDerWaalsContact O-N 3.12Å; N190-T192 VanDerWaalsContact C-N 3.31Å; N190-T192 PolarHBondContact O-N 3.37Å; N190-Q193 HydrophobicContact CB-CB 4.45Å; N190-Q193 HydrophobicContact CB-CG 4.49Å; N190-Q193 WeakPolarHBondContact O-CA 3.4Å; N190-Q193 WeakPolarHBondContact O-CB 3.34Å; N190-Q193 PolarHBondContact O-N 2.98Å; N190-Q193 PolarHBondContact OD1-NE2 2.88Å
191F94.8Very high91.8Very high3 Ų345.4 Ų45.41%0.01322%0.222CC..G310 helixtrans-47.8-48.5-174.3170.9-117.6000113.2N36 I39 V43 I166 L188 Q193 T194 G197 F200N36-F191 HydrophobicContact CB-CB 4.12Å; I39-F191 HydrophobicContact CG2-CD1 4.17Å; I39-F191 HydrophobicContact CG2-CE1 3.95Å; V43-F191 HydrophobicContact CG2-CE1 4.05Å; V43-F191 HydrophobicContact CG2-CZ 4.21Å; I166-F191 HydrophobicContact CD1-CE2 3.67Å; I166-F191 HydrophobicContact CD1-CZ 3.62Å; I166-F191 HydrophobicContact CG2-CD2 4.47Å; I166-F191 HydrophobicContact CG2-CE2 3.95Å; L188-F191 HydrophobicContact CD2-CD2 4.41Å; L188-F191 WeakPolarHBondContact O-CB 3.28Å; L188-F191 PolarHBondContact O-N 2.94Å; F191-Q193 PolarHBondContact O-N 3.06Å; F191-T194 WeakPolarHBondContact O-CB 3.08Å; F191-T194 PolarHBondContact O-N 3.49Å; F191-T194 PolarHBondContact O-OG1 3.18Å; F191-G197 VanDerWaalsContact CE2-CA 3.5Å; F191-G197 WeakPolarHBondContact O-CA 3.4Å; F191-F200 AromaticContact CE1-CD2 3.94Å; F191-F200 HydrophobicContact CE1-CD2 3.94Å; F191-F200 HydrophobicContact CZ-CD2 4.05Å; F191-F200 HydrophobicContact CZ-CE2 4.35Å
192T95.3Very high92.2Very high3 Ų349.5 Ų49.52%0.01824%0.243CC..G310 helixtrans-69.9-3.7-178.355.50000115.2N36 N190 F200 F204N36-T192 VanDerWaalsContact OD1-CB 3.29Å; N36-T192 WeakPolarHBondContact OD1-CB 3.39Å; N36-T192 WeakPolarHBondContact OD1-CG2 3.35Å; N36-T192 PolarHBondContact OD1-N 2.89Å; N36-T192 VanDerWaalsContact OD1-N 3.12Å; N36-T192 PolarHBondContact OD1-OG1 2.72Å; N190-T192 VanDerWaalsContact C-N 3.31Å; N190-T192 PolarHBondContact O-N 3.37Å; T192-F200 HydrophobicContact CG2-CB 4.32Å; T192-F204 HydrophobicContact CG2-CB 3.71Å; T192-F204 HydrophobicContact CG2-CD2 4.33Å; T192-F204 HydrophobicContact CG2-CG 4.04Å
193Q93.4Very high92.6Very high131 Ų13151.5 Ų51.561%0.61225%0.253SS*.G310 helixtrans-98-9.4171.6-53.9175.326.500112.3N190 F191N190-Q193 HydrophobicContact CB-CB 4.45Å; N190-Q193 HydrophobicContact CB-CG 4.49Å; N190-Q193 WeakPolarHBondContact O-CA 3.4Å; N190-Q193 WeakPolarHBondContact O-CB 3.34Å; N190-Q193 PolarHBondContact O-N 2.98Å; N190-Q193 PolarHBondContact OD1-NE2 2.88Å; F191-Q193 PolarHBondContact O-N 3.06Å
194T90.3Very high92.9Very high23 Ų2351.3 Ų51.314%0.14125%0.253CS..SBendtrans-80155.2172.869.70000110.8F191 E196 G197 L198F191-T194 WeakPolarHBondContact O-CB 3.08Å; F191-T194 PolarHBondContact O-N 3.49Å; F191-T194 PolarHBondContact O-OG1 3.18Å; T194-E196 WeakPolarHBondContact CB-OE2 3.3Å; T194-E196 PolarHBondContact O-N 2.95Å; T194-E196 PolarHBondContact OG1-OE2 3.42Å; T194-G197 PolarHBondContact O-N 3.44Å; T194-G197 PolarHBondContact OG1-N 3.39Å; T194-L198 PolarHBondContact O-N 3.28Å
195P88.2Confident93.1Very high103 Ų10354.8 Ų54.867%0.66927%0.272SS*.THydrogen-bonded Turntrans-52.5-38176.4-27.935.9000113.9
196E86.3Confident93.5Very high53 Ų5356.8 Ų56.825%0.24828%0.283CS..THydrogen-bonded Turntrans-77.9-30.1-176.8-54.581-174.100112.4L144 T194L144-E196 HydrophobicContact CD1-CG 3.79Å; T194-E196 WeakPolarHBondContact CB-OE2 3.3Å; T194-E196 PolarHBondContact O-N 2.95Å; T194-E196 PolarHBondContact OG1-OE2 3.42Å
197G92.5Very high93.9Very high0 Ų054 Ų540%027%0.271CS..THydrogen-bonded Turntrans-90-16176.900000114.8F191 T194 P199 F200F191-G197 VanDerWaalsContact CE2-CA 3.5Å; F191-G197 WeakPolarHBondContact O-CA 3.4Å; T194-G197 PolarHBondContact O-N 3.44Å; T194-G197 PolarHBondContact OG1-N 3.39Å; G197-P199 VanDerWaalsContact C-N 3.3Å; G197-F200 PolarHBondContact O-N 2.97Å
198L94Very high94.1Very high96 Ų9651.8 Ų51.850%0.50326%0.263SS..G310 helixtrans-51.5-39.3-178.4-174.265.6000113.9T194 F200 R201T194-L198 PolarHBondContact O-N 3.28Å; L198-F200 PolarHBondContact O-N 3.21Å; L198-F200 VanDerWaalsContact O-N 3.11Å; L198-R201 VanDerWaalsContact O-CB 3.29Å; L198-R201 WeakPolarHBondContact O-CB 3.26Å; L198-R201 PolarHBondContact O-N 3.16Å; L198-R201 VanDerWaalsContact O-N 3.12Å
199P93.9Very high94.1Very high82 Ų8256.9 Ų56.953%0.53229%0.286SS..G310 helixtrans-59.5-20.6175.4-25.736.6000114.8G197G197-P199 VanDerWaalsContact C-N 3.3Å
200F94.9Very high94.3Very high17 Ų1761.2 Ų61.28%0.07531%0.307CS..G310 helixtrans-100.22.5-178.7-52.2-76.7000113.1I39 V43 L154 F191 T192 G197 L198 Q202 L203 F204I39-F200 HydrophobicContact CG2-CB 4.06Å; I39-F200 HydrophobicContact CG2-CG 4.39Å; V43-F200 HydrophobicContact CB-CE2 4.31Å; V43-F200 HydrophobicContact CB-CZ 4.18Å; V43-F200 HydrophobicContact CG1-CE1 4.35Å; V43-F200 HydrophobicContact CG1-CE2 3.6Å; V43-F200 HydrophobicContact CG1-CZ 3.41Å; V43-F200 VanDerWaalsContact CG1-CZ 3.41Å; V43-F200 HydrophobicContact CG2-CD1 4.17Å; V43-F200 HydrophobicContact CG2-CD2 3.92Å; V43-F200 HydrophobicContact CG2-CE1 3.9Å; V43-F200 HydrophobicContact CG2-CE2 3.63Å; V43-F200 HydrophobicContact CG2-CG 4.17Å; V43-F200 HydrophobicContact CG2-CZ 3.6Å; L154-F200 HydrophobicContact CD1-CD1 4.05Å; L154-F200 HydrophobicContact CD1-CE1 4.28Å; L154-F200 HydrophobicContact CD2-CD1 4.29Å; L154-F200 HydrophobicContact CD2-CE1 3.73Å; L154-F200 HydrophobicContact CD2-CZ 4.42Å; L154-F200 HydrophobicContact CG-CE1 4.36Å; F191-F200 AromaticContact CE1-CD2 3.94Å; F191-F200 HydrophobicContact CE1-CD2 3.94Å; F191-F200 HydrophobicContact CZ-CD2 4.05Å; F191-F200 HydrophobicContact CZ-CE2 4.35Å; T192-F200 HydrophobicContact CG2-CB 4.32Å; G197-F200 PolarHBondContact O-N 2.97Å; L198-F200 PolarHBondContact O-N 3.21Å; L198-F200 VanDerWaalsContact O-N 3.11Å; F200-Q202 VanDerWaalsContact C-N 3.29Å; F200-Q202 PolarHBondContact O-N 3.05Å; F200-L203 WeakPolarHBondContact O-CB 3.46Å; F200-L203 PolarHBondContact O-N 3.17Å; F200-F204 PolarHBondContact O-N 3.48Å
201R96Very high94.4Very high130 Ų13057.8 Ų57.849%0.49129%0.289SS..Hα-helixtrans-61.1-36.7-179.1-174.3173-179.31790.2112.9L198 F204 N205L198-R201 VanDerWaalsContact O-CB 3.29Å; L198-R201 WeakPolarHBondContact O-CB 3.26Å; L198-R201 PolarHBondContact O-N 3.16Å; L198-R201 VanDerWaalsContact O-N 3.12Å; R201-F204 PolarHBondContact O-N 2.93Å; R201-N205 WeakPolarHBondContact O-CB 3.5Å; R201-N205 PolarHBondContact O-N 2.69Å; R201-N205 PolarHBondContact O-ND2 2.7Å
202Q96.7Very high94.3Very high137 Ų13760.4 Ų60.464%0.6430%0.301SS*.Hα-helixtrans-63.3-50.7176179.5178.5-11.700111.1F200 F204 N205 E206F200-Q202 VanDerWaalsContact C-N 3.29Å; F200-Q202 PolarHBondContact O-N 3.05Å; Q202-F204 VanDerWaalsContact C-N 3.29Å; Q202-F204 PolarHBondContact O-N 3.42Å; Q202-N205 PolarHBondContact O-N 3.05Å; Q202-N205 VanDerWaalsContact O-N 3.15Å; Q202-E206 HydrophobicContact CG-CG 4.43Å; Q202-E206 VanDerWaalsContact CG-OE1 3.3Å; Q202-E206 WeakPolarHBondContact CG-OE1 3.35Å; Q202-E206 PolarHBondContact NE2-OE1 2.86Å; Q202-E206 WeakPolarHBondContact O-CG 3.37Å; Q202-E206 PolarHBondContact O-N 3.5Å
203L96.1Very high94.1Very high42 Ų4260.6 Ų60.622%0.2230%0.301CS..Hα-helixtrans-54.9-46.2176.5179.479.5000111.5L154 F200 E206 H207 L498L154-L203 HydrophobicContact CD1-CD2 3.22Å; F200-L203 WeakPolarHBondContact O-CB 3.46Å; F200-L203 PolarHBondContact O-N 3.17Å; L203-E206 PolarHBondContact O-N 2.85Å; L203-H207 WeakPolarHBondContact CD1-CE1 3.29Å; L203-H207 PolarHBondContact O-N 3.14Å; L203-H207 PolarHBondContact O-ND1 3.38Å; L203-L498 HydrophobicContact CD2-CD1 4.03Å
204F97.2Very high94Very high14 Ų1457.6 Ų57.66%0.06129%0.292CS..Hα-helixtrans-58-49.2176.3168.4-90.4000112E32 L35 N36 I39 T192 F200 R201 Q202 E206 H207 L208E32-F204 HydrophobicContact CB-CZ 3.98Å; E32-F204 HydrophobicContact CG-CZ 4.29Å; E32-F204 WeakPolarHBondContact O-CE2 3.46Å; L35-F204 HydrophobicContact CB-CD2 4.19Å; L35-F204 HydrophobicContact CB-CE2 3.93Å; L35-F204 HydrophobicContact CD2-CD2 3.65Å; L35-F204 HydrophobicContact CD2-CE2 3.84Å; L35-F204 HydrophobicContact CD2-CG 4.37Å; L35-F204 HydrophobicContact CG-CD2 3.72Å; L35-F204 HydrophobicContact CG-CE2 3.96Å; N36-F204 HydrophobicContact CB-CE2 4.44Å; N36-F204 WeakPolarHBondContact ND2-CE2 3.42Å; N36-F204 WeakPolarHBondContact OD1-CD2 3.39Å; I39-F204 HydrophobicContact CD1-CB 3.74Å; I39-F204 HydrophobicContact CD1-CD2 4.04Å; I39-F204 HydrophobicContact CD1-CG 4.41Å; T192-F204 HydrophobicContact CG2-CB 3.71Å; T192-F204 HydrophobicContact CG2-CD2 4.33Å; T192-F204 HydrophobicContact CG2-CG 4.04Å; F200-F204 PolarHBondContact O-N 3.48Å; R201-F204 PolarHBondContact O-N 2.93Å; Q202-F204 VanDerWaalsContact C-N 3.29Å; Q202-F204 PolarHBondContact O-N 3.42Å; F204-E206 VanDerWaalsContact C-N 3.35Å; F204-E206 PolarHBondContact O-N 3.25Å; F204-H207 PolarHBondContact O-N 3.03Å; F204-L208 HydrophobicContact CE1-CD2 3.84Å; F204-L208 HydrophobicContact CZ-CD2 3.92Å; F204-L208 VanDerWaalsContact O-CB 3.25Å; F204-L208 WeakPolarHBondContact O-CB 3.5Å; F204-L208 PolarHBondContact O-N 3.04Å
205N96.9Very high93.8Very high74 Ų7461.5 Ų61.540%0.39632%0.318SS..Hα-helixtrans-62.6-41.9179.4-69.8-20.9000111.8R201 Q202 L208 E209R201-N205 WeakPolarHBondContact O-CB 3.5Å; R201-N205 PolarHBondContact O-N 2.69Å; R201-N205 PolarHBondContact O-ND2 2.7Å; Q202-N205 PolarHBondContact O-N 3.05Å; Q202-N205 VanDerWaalsContact O-N 3.15Å; N205-L208 PolarHBondContact O-N 2.87Å; N205-E209 WeakPolarHBondContact O-CB 3.42Å; N205-E209 WeakPolarHBondContact O-CG 3.39Å; N205-E209 PolarHBondContact O-N 3.38Å
206E97.2Very high93.6Very high88 Ų8862.6 Ų62.641%0.41132%0.317SS..Hα-helixtrans-60.2-46.9178.2-73.2171.5-173.900111.5Q202 L203 F204 E209 M210Q202-E206 HydrophobicContact CG-CG 4.43Å; Q202-E206 VanDerWaalsContact CG-OE1 3.3Å; Q202-E206 WeakPolarHBondContact CG-OE1 3.35Å; Q202-E206 PolarHBondContact NE2-OE1 2.86Å; Q202-E206 WeakPolarHBondContact O-CG 3.37Å; Q202-E206 PolarHBondContact O-N 3.5Å; L203-E206 PolarHBondContact O-N 2.85Å; F204-E206 VanDerWaalsContact C-N 3.35Å; F204-E206 PolarHBondContact O-N 3.25Å; E206-E209 PolarHBondContact O-N 3.46Å; E206-M210 WeakPolarHBondContact O-CG 3.38Å; E206-M210 PolarHBondContact O-N 3.48Å
207H97.3Very high93.7Very high11 Ų1161.6 Ų61.65%0.05131%0.313CS..Hα-helixtrans-71.6-35.4179.3-7376.4000112.5L35 L203 F204 M210 L211 I501L35-H207 HydrophobicContact CD1-CB 4.44Å; L35-H207 HydrophobicContact CD2-CB 4.06Å; L203-H207 WeakPolarHBondContact CD1-CE1 3.29Å; L203-H207 PolarHBondContact O-N 3.14Å; L203-H207 PolarHBondContact O-ND1 3.38Å; F204-H207 PolarHBondContact O-N 3.03Å; H207-M210 PolarHBondContact O-N 3.38Å; H207-L211 WeakPolarHBondContact O-CG 3.46Å; H207-L211 PolarHBondContact O-N 2.81Å; H207-I501 HydrophobicContact CB-CD1 4.13Å; H207-I501 HydrophobicContact CB-CG2 4.36Å
208L95.5Very high93.3Very high6 Ų662.3 Ų62.33%0.03132%0.318CS..Hα-helixtrans-63.9-42.8175.4-172.965.3000111.2I31 E32 L35 F204 N205 M210 L211 K212 Y275I31-L208 HydrophobicContact CG2-CD1 3.97Å; E32-L208 HydrophobicContact CG-CD1 4.32Å; E32-L208 HydrophobicContact CG-CD2 4.09Å; L35-L208 HydrophobicContact CD2-CB 4.1Å; F204-L208 HydrophobicContact CE1-CD2 3.84Å; F204-L208 HydrophobicContact CZ-CD2 3.92Å; F204-L208 VanDerWaalsContact O-CB 3.25Å; F204-L208 WeakPolarHBondContact O-CB 3.5Å; F204-L208 PolarHBondContact O-N 3.04Å; N205-L208 PolarHBondContact O-N 2.87Å; L208-M210 VanDerWaalsContact C-N 3.34Å; L208-M210 PolarHBondContact O-N 2.92Å; L208-L211 WeakPolarHBondContact O-CB 3.33Å; L208-L211 PolarHBondContact O-N 2.93Å; L208-K212 PolarHBondContact O-N 3.43Å; L208-Y275 HydrophobicContact CD1-CD1 4.11Å; L208-Y275 HydrophobicContact CD1-CE1 3.44Å; L208-Y275 VanDerWaalsContact CD1-CE1 3.44Å; L208-Y275 HydrophobicContact CG-CE1 3.71Å; L208-Y275 WeakPolarHBondContact O-CE1 3.3Å
209E95.4Very high92.6Very high107 Ų10764.5 Ų64.550%0.533%0.33SS..Hα-helixtrans-65.8-34.4176.3-75-63.413400112.5N205 E206 L211 K212N205-E209 WeakPolarHBondContact O-CB 3.42Å; N205-E209 WeakPolarHBondContact O-CG 3.39Å; N205-E209 PolarHBondContact O-N 3.38Å; E206-E209 PolarHBondContact O-N 3.46Å; E209-L211 PolarHBondContact O-N 3.31Å; E209-K212 WeakPolarHBondContact O-CB 3.41Å; E209-K212 PolarHBondContact O-N 3.35Å; E209-K212 IonicContact OE1-NZ 2.72Å; E209-K212 PolarHBondContact OE1-NZ 3.41Å; E209-K212 IonicContact OE2-NZ 3.42Å
210M95.4Very high92Very high92 Ų9266 Ų6645%0.45333%0.333SS..Hα-helixtrans-65.2-25.8174-70.5177.8-167.400113.4E206 H207 L208 I501 K502E206-M210 WeakPolarHBondContact O-CG 3.38Å; E206-M210 PolarHBondContact O-N 3.48Å; H207-M210 PolarHBondContact O-N 3.38Å; L208-M210 VanDerWaalsContact C-N 3.34Å; L208-M210 PolarHBondContact O-N 2.92Å; M210-I501 HydrophobicContact CB-CG2 3.54Å; M210-I501 HydrophobicContact CG-CG2 4.4Å; M210-I501 HydrophobicContact SD-CG2 4.04Å; M210-K502 HydrophobicContact SD-CB 4.33Å
211L94.3Very high91.5Very high2 Ų265.9 Ų65.91%0.0134%0.335CS..THydrogen-bonded Turntrans-84.2-13.3177.4-72.3166.2000113.2L22 I31 H207 L208 E209 Y275 H276 M279 I501L22-L211 HydrophobicContact CD1-CD1 3.83Å; L22-L211 HydrophobicContact CD1-CD2 4.09Å; L22-L211 HydrophobicContact CD2-CD1 3.97Å; I31-L211 HydrophobicContact CD1-CB 4.1Å; I31-L211 HydrophobicContact CD1-CD1 3.9Å; I31-L211 HydrophobicContact CD1-CG 4.48Å; I31-L211 HydrophobicContact CG1-CD1 4.3Å; H207-L211 WeakPolarHBondContact O-CG 3.46Å; H207-L211 PolarHBondContact O-N 2.81Å; L208-L211 WeakPolarHBondContact O-CB 3.33Å; L208-L211 PolarHBondContact O-N 2.93Å; E209-L211 PolarHBondContact O-N 3.31Å; L211-Y275 HydrophobicContact CB-CD1 3.89Å; L211-Y275 CarbonylContact O-C 3.58Å; L211-Y275 VanDerWaalsContact O-CA 3.25Å; L211-Y275 WeakPolarHBondContact O-CA 3.26Å; L211-Y275 WeakPolarHBondContact O-CB 3.05Å; L211-H276 PolarHBondContact O-CD2 3.23Å; L211-H276 VanDerWaalsContact O-CD2 3.28Å; L211-H276 PolarHBondContact O-N 3.2Å; L211-M279 HydrophobicContact CD2-CE 4.21Å; L211-M279 HydrophobicContact CD2-SD 3.48Å; L211-M279 WeakPolarHBondContact CD2-SD 3.47Å; L211-I501 HydrophobicContact CD1-CD1 3.83Å; L211-I501 HydrophobicContact CD1-CG1 4.29Å; L211-I501 HydrophobicContact CD2-CG1 4.05Å; L211-I501 HydrophobicContact CG-CD1 4.27Å; L211-I501 HydrophobicContact CG-CG1 4.22Å; L211-I501 HydrophobicContact CG-CG2 4.19Å
212K94Very high91.1Very high58 Ų5861.8 Ų61.825%0.25233%0.325SS..BIsolated β-bridgetrans-78.2135.7-170.3-170.7170.7172.8175.60111.3L208 E209 E273 Y275L208-K212 PolarHBondContact O-N 3.43Å; E209-K212 WeakPolarHBondContact O-CB 3.41Å; E209-K212 PolarHBondContact O-N 3.35Å; E209-K212 IonicContact OE1-NZ 2.72Å; E209-K212 PolarHBondContact OE1-NZ 3.41Å; E209-K212 IonicContact OE2-NZ 3.42Å; K212-E273 WeakPolarHBondContact CE-OE1 3.33Å; K212-E273 IonicContact NZ-OE1 3.26Å; K212-E273 PolarHBondContact NZ-OE1 2.72Å; K212-Y275 HydrophobicContact CB-CD1 4Å; K212-Y275 HydrophobicContact CB-CE1 3.89Å; K212-Y275 HydrophobicContact CG-CE1 4.22Å
213L91.7Very high90.5Very high6 Ų660.5 Ų60.53%0.03132%0.315CS..PPolyproline II helixtrans-82.5138.4170.3-67.3173.7000109.4E217 S218 C226 Y274 H276L213-E217 HydrophobicContact CB-CB 4.25Å; L213-E217 HydrophobicContact CD2-CB 4.11Å; L213-S218 VanDerWaalsContact CB-OG 3.32Å; L213-S218 WeakPolarHBondContact CB-OG 3.39Å; L213-C226 HydrophobicContact CD1-CB 3.53Å; L213-Y274 PolarHBondContact N-O 2.84Å; L213-H276 WeakPolarHBondContact CD2-CE1 3.31Å; L213-H276 WeakPolarHBondContact CD2-NE2 3.21Å
214T90.2Very high90Very high69 Ų6960 Ų6042%0.42332%0.315SS..PPolyproline II helixtrans-64.8159.7169.164.90000110.2L216 E217 S218T214-L216 PolarHBondContact O-N 3.26Å; T214-E217 WeakPolarHBondContact CB-OE2 3.44Å; T214-E217 WeakPolarHBondContact CG2-OE2 3.29Å; T214-E217 PolarHBondContact N-OE2 2.97Å; T214-E217 PolarHBondContact O-N 3.09Å; T214-E217 WeakPolarHBondContact OG1-CG 3.3Å; T214-E217 PolarHBondContact OG1-N 2.8Å; T214-E217 PolarHBondContact OG1-OE2 3.42Å; T214-S218 WeakPolarHBondContact O-CB 3.34Å; T214-S218 PolarHBondContact O-N 2.84Å; T214-S218 PolarHBondContact O-OG 2.9Å
215P85.2Confident89.6Confident104 Ų10459.5 Ų59.568%0.67531%0.313SS*.Hα-helixtrans-55.9-37177.7-28.235.8000113.4N219P215-N219 WeakPolarHBondContact O-CB 3.44Å; P215-N219 VanDerWaalsContact O-CG 3.3Å; P215-N219 PolarHBondContact O-N 3.47Å; P215-N219 VanDerWaalsContact O-N 3.1Å; P215-N219 PolarHBondContact O-ND2 2.85Å
216L85Confident89.3Confident126 Ų12656.1 Ų56.166%0.6630%0.295SS*.Hα-helixtrans-66-40177-179.963.5000112T214 N220T214-L216 PolarHBondContact O-N 3.26Å; L216-N220 PolarHBondContact O-ND2 3.4Å
217E88.2Confident89Confident32 Ų3252 Ų5215%0.1528%0.276CS..Hα-helixtrans-73.2-39.3179.4-63.3168.9133.100111.1L213 T214 N220 S221 Q324L213-E217 HydrophobicContact CB-CB 4.25Å; L213-E217 HydrophobicContact CD2-CB 4.11Å; T214-E217 WeakPolarHBondContact CB-OE2 3.44Å; T214-E217 WeakPolarHBondContact CG2-OE2 3.29Å; T214-E217 PolarHBondContact N-OE2 2.97Å; T214-E217 PolarHBondContact O-N 3.09Å; T214-E217 WeakPolarHBondContact OG1-CG 3.3Å; T214-E217 PolarHBondContact OG1-N 2.8Å; T214-E217 PolarHBondContact OG1-OE2 3.42Å; E217-N220 PolarHBondContact O-N 2.77Å; E217-S221 VanDerWaalsContact O-CB 3.26Å; E217-S221 WeakPolarHBondContact O-CB 3.45Å; E217-S221 PolarHBondContact O-N 2.95Å; E217-S221 PolarHBondContact O-OG 2.77Å; E217-Q324 WeakPolarHBondContact OE1-CG 2.96Å; E217-Q324 PolarHBondContact OE1-NE2 3.23Å; E217-Q324 VanDerWaalsContact OE1-NE2 3.14Å
218S83.2Confident88.5Confident16 Ų1653.3 Ų53.311%0.11228%0.283CS..Hα-helixtrans-59.7-48.7177.7-55.60000111.3L213 T214 N220 S221L213-S218 VanDerWaalsContact CB-OG 3.32Å; L213-S218 WeakPolarHBondContact CB-OG 3.39Å; T214-S218 WeakPolarHBondContact O-CB 3.34Å; T214-S218 PolarHBondContact O-N 2.84Å; T214-S218 PolarHBondContact O-OG 2.9Å; S218-N220 PolarHBondContact O-N 2.88Å; S218-S221 PolarHBondContact O-N 2.98Å
219N81.4Confident88Confident141 Ų14154.2 Ų54.275%0.75429%0.29SS*.Hα-helixtrans-63.5-23.6179.9-74.3-21.9000114.1P215P215-N219 WeakPolarHBondContact O-CB 3.44Å; P215-N219 VanDerWaalsContact O-CG 3.3Å; P215-N219 PolarHBondContact O-N 3.47Å; P215-N219 VanDerWaalsContact O-N 3.1Å; P215-N219 PolarHBondContact O-ND2 2.85Å
220N81Confident87.1Confident113 Ų11349.7 Ų49.760%0.60427%0.273SS*.Hα-helixtrans-105.4-11.8-176.5-70.1-50000113.5L216 E217 S218L216-N220 PolarHBondContact O-ND2 3.4Å; E217-N220 PolarHBondContact O-N 2.77Å; S218-N220 PolarHBondContact O-N 2.88Å
221S83Confident85.8Confident16 Ų1651.4 Ų51.411%0.11228%0.277CS..SBendtrans-84.3124-177.8-65.60000109.7E217 S218E217-S221 VanDerWaalsContact O-CB 3.26Å; E217-S221 WeakPolarHBondContact O-CB 3.45Å; E217-S221 PolarHBondContact O-N 2.95Å; E217-S221 PolarHBondContact O-OG 2.77Å; S218-S221 PolarHBondContact O-N 2.98Å
222P87.7Confident83.4Confident44 Ų4454.8 Ų54.829%0.28630%0.298SS..  trans-59.9151170.825.7-34.9000110.4C224 L225 A316 K321P222-C224 PolarHBondContact O-N 3.38Å; P222-L225 HydrophobicContact CG-CB 4.49Å; P222-L225 HydrophobicContact CG-CD1 3.77Å; P222-L225 HydrophobicContact CG-CG 3.9Å; P222-L225 WeakPolarHBondContact O-CB 3.46Å; P222-L225 PolarHBondContact O-N 2.98Å; P222-A316 HydrophobicContact CG-CB 4.13Å; P222-K321 HydrophobicContact CG-CB 3.86Å
223Y84.1Confident80.4Confident110 Ų11058.3 Ų58.343%0.43133%0.325SS..G310 helixtrans-49.9-35.2-178.3175.4-100.6000113.6K25 Y27 L225 C226K25-Y223 HydrophobicContact CD-CE1 4.14Å; K25-Y223 PolarHBondContact NZ-O 3.09Å; K25-Y223 PolarHBondContact O-OH 2.89Å; Y27-Y223 HydrophobicContact CE2-CE2 4.41Å; Y27-Y223 WeakPolarHBondContact CE2-OH 3.42Å; Y27-Y223 WeakPolarHBondContact OH-CE2 3.17Å; Y27-Y223 PolarHBondContact OH-OH 2.77Å; Y223-L225 PolarHBondContact O-N 3.49Å; Y223-L225 VanDerWaalsContact O-N 3.15Å; Y223-C226 PolarHBondContact O-N 3.13Å; Y223-C226 VanDerWaalsContact O-O 3.06Å
224C85.3Confident77.3Confident30 Ų3063.1 Ų63.120%0.20335%0.354CS..G310 helixtrans-62.7-19.917859.90000113.7K25 P222 Y277 A316K25-C224 WeakPolarHBondContact CE-O 3.49Å; K25-C224 VanDerWaalsContact NZ-C 3.35Å; K25-C224 PolarHBondContact NZ-O 3.3Å; K25-C224 VanDerWaalsContact NZ-O 3.12Å; P222-C224 PolarHBondContact O-N 3.38Å; C224-Y277 WeakPolarHBondContact O-CD1 3.39Å; C224-A316 WeakPolarHBondContact SG-CB 3.37Å
225L89.1Confident74.2Confident4 Ų467.2 Ų67.22%0.02137%0.374CS..G310 helixtrans-95.4-12-178.6-63.7-175.8000114.8P222 Y223 Y277 Y283 A313 A316 K321 H322P222-L225 HydrophobicContact CG-CB 4.49Å; P222-L225 HydrophobicContact CG-CD1 3.77Å; P222-L225 HydrophobicContact CG-CG 3.9Å; P222-L225 WeakPolarHBondContact O-CB 3.46Å; P222-L225 PolarHBondContact O-N 2.98Å; Y223-L225 PolarHBondContact O-N 3.49Å; Y223-L225 VanDerWaalsContact O-N 3.15Å; L225-Y277 WeakPolarHBondContact O-CB 3.28Å; L225-Y277 PolarHBondContact O-N 3.26Å; L225-Y283 VanDerWaalsContact CD2-OH 3.25Å; L225-Y283 WeakPolarHBondContact CD2-OH 3.22Å; L225-A313 HydrophobicContact CD2-CB 3.98Å; L225-A313 WeakPolarHBondContact CD2-O 3.31Å; L225-A316 HydrophobicContact CD1-CB 4.16Å; L225-A316 HydrophobicContact CD2-CB 4.08Å; L225-A316 HydrophobicContact CG-CB 4.07Å; L225-K321 HydrophobicContact CD1-CB 4.21Å; L225-H322 HydrophobicContact CD1-CB 4.07Å
226C91.1Very high71.5Confident4 Ų467 Ų673%0.02737%0.37CS..EExtended strand (participates in β ladder)trans-133.6152.7-174.460.90000114.2K25 L213 Y223 Y274 Y275K25-C226 PolarHBondContact NZ-O 2.97Å; L213-C226 HydrophobicContact CD1-CB 3.53Å; Y223-C226 PolarHBondContact O-N 3.13Å; Y223-C226 VanDerWaalsContact O-O 3.06Å; C226-Y274 HydrophobicContact CB-CD1 4.2Å; C226-Y275 CarbonylContact C-O 3.16Å; C226-Y275 WeakPolarHBondContact CA-O 3.22Å; C226-Y275 WeakPolarHBondContact CB-O 3.36Å
227V90.2Very high68.7Low1 Ų167 Ų671%0.00638%0.376CS..EExtended strand (participates in β ladder)trans-123.5145.5172.3-67.30000109.6K25 I31 Y274 Y275 Y277K25-V227 HydrophobicContact CD-CG1 4.1Å; I31-V227 HydrophobicContact CD1-CG2 4.38Å; V227-Y274 WeakPolarHBondContact O-CA 3.48Å; V227-Y275 PolarHBondContact N-O 3.28Å; V227-Y275 PolarHBondContact O-N 3.38Å; V227-Y277 HydrophobicContact CG1-CD2 3.86Å; V227-Y277 HydrophobicContact CG1-CG 4.38Å
228N87.4Confident65.8Low38 Ų3872 Ų7220%0.20340%0.404CS..EExtended strand (participates in β ladder)trans-80.9151.3-179.4-60.47.1000111.2Y27 Y274Y27-N228 HydrophobicContact CE1-CB 3.98Å; N228-Y274 WeakPolarHBondContact OD1-CD1 3.44Å; N228-Y274 WeakPolarHBondContact OD1-CE1 3.04Å
229S85.1Confident63.2Low25 Ų2577 Ų7718%0.17543%0.434CS..  trans-55.7147.6166.8-178.30000112E32 K231 E273E32-S229 WeakPolarHBondContact OE1-CB 3.47Å; E32-S229 PolarHBondContact OE1-OG 2.66Å; S229-K231 PolarHBondContact O-N 2.68Å; S229-K231 WeakPolarHBondContact OG-CB 3.38Å; S229-K231 WeakPolarHBondContact OG-CG 3.17Å; S229-K231 PolarHBondContact OG-N 3.31Å; S229-K231 VanDerWaalsContact OG-N 3.07Å; S229-E273 WeakPolarHBondContact CB-O 3.5Å; S229-E273 PolarHBondContact N-O 3.14Å
230G76.4Confident60.9Low13 Ų1375.6 Ų75.613%0.13443%0.431CS..SBendtrans-72.3-11.9168.600000116.1E32 R121 T232E32-G230 PolarHBondContact OE1-N 3.12Å; E32-G230 PolarHBondContact OE2-N 2.67Å; R121-G230 PolarHBondContact NH2-O 2.69Å; G230-T232 VanDerWaalsContact C-N 3.29Å; G230-T232 PolarHBondContact O-N 3.15Å
231K67.6Low58.4Low128 Ų12877.7 Ų77.756%0.55744%0.442SS*.  trans-76.975.3-174.7-60.6171.5-163.9159.30110.2S229 T233 E273S229-K231 PolarHBondContact O-N 2.68Å; S229-K231 WeakPolarHBondContact OG-CB 3.38Å; S229-K231 WeakPolarHBondContact OG-CG 3.17Å; S229-K231 PolarHBondContact OG-N 3.31Å; S229-K231 VanDerWaalsContact OG-N 3.07Å; K231-T233 PolarHBondContact O-N 3.09Å; K231-E273 IonicContact NZ-OE2 2.69Å; K231-E273 PolarHBondContact NZ-OE2 3.45Å
232T44.4Very low56Low72 Ų7282.1 Ų82.144%0.44247%0.468SS..  trans-64.2129.7163.20.70000108.3G230 T234G230-T232 VanDerWaalsContact C-N 3.29Å; G230-T232 PolarHBondContact O-N 3.15Å; T232-T234 VanDerWaalsContact C-N 3.26Å; T232-T234 PolarHBondContact O-N 2.51Å
233T30.3Very low53.1Low132 Ų13286 Ų8681%0.8149%0.492SS*.  trans-59.289.5166.522.70000108.9K231 N235K231-T233 PolarHBondContact O-N 3.09Å; T233-N235 PolarHBondContact O-N 2.98Å
234T27.4Very low50.8Low107 Ų10786.9 Ų86.966%0.65651%0.508SS*.  trans-71.685.8168.950.20000108.3T232 T236T232-T234 VanDerWaalsContact C-N 3.26Å; T232-T234 PolarHBondContact O-N 2.51Å; T234-T236 PolarHBondContact O-N 2.73Å
235N25.3Very low48.2Very low156 Ų15693.7 Ų93.783%0.83454%0.537SS*.  trans-7362.7149.4-76.4-17.1000108.1T233 T237T233-N235 PolarHBondContact O-N 2.98Å; N235-T237 PolarHBondContact O-N 3.28Å
236T28.1Very low45.6Very low98 Ų9899.8 Ų99.860%0.60157%0.574SS**  trans-91.592.7160.232.30000106.4T234 D238T234-T236 PolarHBondContact O-N 2.73Å; T236-D238 PolarHBondContact O-N 3.3Å
237T26.7Very low42.9Very low126 Ų126105 Ų10577%0.77361%0.606SS**  trans-55.496.4149.543.30000106.9N235 T239N235-T237 PolarHBondContact O-N 3.28Å; T237-T239 VanDerWaalsContact C-N 3.26Å; T237-T239 PolarHBondContact O-N 2.93Å
238D27.7Very low40.2Very low137 Ų137111.6 Ų111.673%0.73364%0.641SS**  trans-61.698160.2-82.9-25000106.7T236 T240T236-D238 PolarHBondContact O-N 3.3Å; D238-T240 PolarHBondContact O-N 3.18Å
239T28.4Very low37.9Very low121 Ų121116.6 Ų116.674%0.74267%0.668SS**  trans-64.986.2164.421.30000107.8T237 N241T237-T239 VanDerWaalsContact C-N 3.26Å; T237-T239 PolarHBondContact O-N 2.93Å; T239-N241 VanDerWaalsContact C-N 3.32Å; T239-N241 PolarHBondContact O-N 2.99Å
240T33.1Very low35.5Very low113 Ų113120.8 Ų120.869%0.69369%0.693SS**  trans-61.998.1158.4490000107.8D238 T242D238-T240 PolarHBondContact O-N 3.18Å; T240-T242 VanDerWaalsContact C-N 3.25Å; T240-T242 PolarHBondContact O-N 3.17Å; T240-T242 PolarHBondContact O-OG1 2.8Å
241N28.2Very low33.6Very low156 Ų156125.2 Ų125.283%0.83472%0.717SS**  trans-59.491.2165-82.6-23.9000108.7T239T239-N241 VanDerWaalsContact C-N 3.32Å; T239-N241 PolarHBondContact O-N 2.99Å
242T32.3Very low32.1Very low110 Ų110125.7 Ų125.768%0.67573%0.726SS**  trans-107.2104.5168.5-31.90000106.8T240 T244T240-T242 VanDerWaalsContact C-N 3.25Å; T240-T242 PolarHBondContact O-N 3.17Å; T240-T242 PolarHBondContact O-OG1 2.8Å; T242-T244 PolarHBondContact O-N 2.77Å
243T27.7Very low31.9Very low126 Ų126127.8 Ų127.877%0.77374%0.739SS**  trans-69.4105.9178.7-43.70000109.6
244T34.6Very low32.1Very low128 Ų128126.7 Ų126.779%0.78573%0.732SS**  trans-139.9112.2161.341.40000110.7T242T242-T244 PolarHBondContact O-N 2.77Å
245H30.4Very low32.7Very low173 Ų173129.6 Ų129.680%0.80174%0.738SS**  trans-49.1135.4167.5-72.5-83.9000112.8
246T35.5Very low33.2Very low131 Ų131128 Ų12880%0.80473%0.734SS**  -178.7109.9123.524.50000113.3
247T33.8Very low33.4Very low114 Ų114129.3 Ų129.370%0.69974%0.742SS**  trans44.3111.7133.1530000123.2
248N34.9Very low33.8Very low139 Ų139131 Ų13174%0.74375%0.746SS**  56.3115117.8-62.9-0.7000121.2
249N37.4Very low34Very low144 Ų144131.1 Ų131.177%0.7775%0.752SS**  165.2128.599.1-88.7-26.7000113.3
250T35.7Very low34.3Very low112 Ų112131.1 Ų131.169%0.68775%0.752SS**  trans19.9142.1130.917.60000119.2
251T37Very low34.1Very low106 Ų106134.2 Ų134.265%0.6577%0.765SS**  cis-179.815341.51.80000108.9
252D35.5Very low34.3Very low139 Ų139132.4 Ų132.474%0.74376%0.759SS**  trans60.7143.8142.9-64.9-16000120.1
253T39.8Very low34.1Very low115 Ų115133.4 Ų133.471%0.70677%0.765SS**  cis-170.4137.627.50.60000111.1
254T35Very low34.1Very low109 Ų109134.5 Ų134.567%0.66977%0.766SS**  trans35.5145.813761.10000125.9
255H40.7Very low33.7Very low169 Ų169134.5 Ų134.578%0.78277%0.766SS**  trans83.2138.2152.8-68.9-56.2000117.2
256T34.5Very low33.6Very low121 Ų121131.2 Ų131.274%0.74276%0.759SS**  cis-163.7159.27.96.10000107.7
257T33.7Very low33.3Very low126 Ų126130.7 Ų130.777%0.77376%0.755SS**  trans-59.4136.3175.345.80000114.2
258D34.1Very low33.1Very low161 Ų161131.5 Ų131.586%0.86176%0.755SS**  trans-150.5116.9147.5-99.4-26.4000111.5
259T31.3Very low32.9Very low141 Ų141131.5 Ų131.587%0.86576%0.755SS**  trans-71.1114.5169.824.40000110.5
260T35.8Very low33.2Very low120 Ų120130.2 Ų130.274%0.73675%0.749SS**  trans-136.5118.2157.3460000110.7T262T260-T262 PolarHBondContact O-N 2.9Å; T260-T262 VanDerWaalsContact O-N 3.1Å
261N29.4Very low34.1Very low179 Ų179132.4 Ų132.496%0.95776%0.756SS**  trans-52.3110.1171.3-73.2-31.1000110.2
262T30.4Very low35.7Very low117 Ų117131.6 Ų131.672%0.71875%0.748SS**  trans-118.8116.8163.817.80000107.7T260 N264T260-T262 PolarHBondContact O-N 2.9Å; T260-T262 VanDerWaalsContact O-N 3.1Å; T262-N264 PolarHBondContact O-N 2.9Å
263T29.5Very low38.1Very low131 Ų131127.1 Ų127.180%0.80472%0.723SS**  trans-50.1106.5173.841.40000110.6T265T263-T265 PolarHBondContact O-N 3.05Å
264N26.8Very low40.5Very low149 Ų149124.5 Ų124.580%0.79770%0.7SS**  trans-62.996.6167.8-79.4-15.8000109.3T262 T266T262-N264 PolarHBondContact O-N 2.9Å; N264-T266 PolarHBondContact O-N 2.89Å
265T26.9Very low43.3Very low128 Ų128119.3 Ų119.379%0.78567%0.668SS**  trans-77.483.1155.630.20000106.9T263 T267T263-T265 PolarHBondContact O-N 3.05Å; T265-T267 PolarHBondContact O-N 3.16Å; T265-T267 VanDerWaalsContact O-N 3.12Å
266T28.9Very low45.8Very low105 Ų105111.6 Ų111.664%0.64463%0.633SS**  trans-67.8103.9168.536.70000108.7N264 N268N264-T266 PolarHBondContact O-N 2.89Å; T266-N268 PolarHBondContact O-N 3.09Å
267T27.9Very low48.7Very low119 Ų119106 Ų10673%0.7360%0.598SS**  trans-6594.1163.744.50000108.6T265 N269T265-T267 PolarHBondContact O-N 3.16Å; T265-T267 VanDerWaalsContact O-N 3.12Å; T267-N269 VanDerWaalsContact C-N 3.31Å; T267-N269 PolarHBondContact O-N 3.06Å
268N29.8Very low51.7Low131 Ų131100.1 Ų100.170%0.70156%0.562SS**  trans-70.485.8171.8-74.2-9.8000109.4T266 N270T266-N268 PolarHBondContact O-N 3.09Å; N268-N270 PolarHBondContact O-N 2.89Å; N268-N270 VanDerWaalsContact O-N 3.11Å
269N31.7Very low54.6Low139 Ų13992.5 Ų92.574%0.74352%0.521SS*.  trans-78.974.9165.1-72.4-8000108.9T267T267-N269 VanDerWaalsContact C-N 3.31Å; T267-N269 PolarHBondContact O-N 3.06Å
270N42.5Very low57.6Low117 Ų11786.7 Ų86.763%0.62649%0.485SS*.  trans-103.289.9166.9-74.611000107.8N268 D272N268-N270 PolarHBondContact O-N 2.89Å; N268-N270 VanDerWaalsContact O-N 3.11Å; N270-D272 PolarHBondContact O-N 2.91Å
271D54.9Low60.5Low159 Ų15981 Ų8185%0.8545%0.451SS*.  trans-71.549.4169.1-75.5-27.6000110.6E273D271-E273 PolarHBondContact O-N 2.79Å; D271-E273 VanDerWaalsContact O-N 3.08Å
272D70.3Confident63.8Low89 Ų8972.5 Ų72.548%0.47641%0.406SS..  trans-73.9102.8176.2-68.8-27000107.9N270 Y274N270-D272 PolarHBondContact O-N 2.91Å; D272-Y274 HydrophobicContact CB-CE2 3.76Å; D272-Y274 WeakPolarHBondContact O-CD2 3.48Å; D272-Y274 WeakPolarHBondContact O-CE2 3.31Å
273E86Confident67Low45 Ų4567 Ų6721%0.2137%0.371CS..  trans-74.2126.3173.6-61.7-177.4140.100109.6K212 S229 K231 D271 Y275K212-E273 WeakPolarHBondContact CE-OE1 3.33Å; K212-E273 IonicContact NZ-OE1 3.26Å; K212-E273 PolarHBondContact NZ-OE1 2.72Å; S229-E273 WeakPolarHBondContact CB-O 3.5Å; S229-E273 PolarHBondContact N-O 3.14Å; K231-E273 IonicContact NZ-OE2 2.69Å; K231-E273 PolarHBondContact NZ-OE2 3.45Å; D271-E273 PolarHBondContact O-N 2.79Å; D271-E273 VanDerWaalsContact O-N 3.08Å; E273-Y275 HydrophobicContact CB-CE2 4.01Å; E273-Y275 PolarHBondContact OE2-OH 2.94Å
274Y90.7Very high70.2Confident60 Ų6063.8 Ų63.824%0.23535%0.345CS..EExtended strand (participates in β ladder)trans-108146.8174.1-66.2-98.5000110.5L213 C226 V227 N228 D272L213-Y274 PolarHBondContact N-O 2.84Å; C226-Y274 HydrophobicContact CB-CD1 4.2Å; V227-Y274 WeakPolarHBondContact O-CA 3.48Å; N228-Y274 WeakPolarHBondContact OD1-CD1 3.44Å; N228-Y274 WeakPolarHBondContact OD1-CE1 3.04Å; D272-Y274 HydrophobicContact CB-CE2 3.76Å; D272-Y274 WeakPolarHBondContact O-CD2 3.48Å; D272-Y274 WeakPolarHBondContact O-CE2 3.31Å
275Y93.6Very high73.6Confident0 Ų056.7 Ų56.70%031%0.307CS..EExtended strand (participates in β ladder)trans-126.4158.9178.6-59-93.2000110.7I31 L208 L211 K212 C226 V227 E273 Y277I31-Y275 HydrophobicContact CD1-CD1 3.86Å; I31-Y275 HydrophobicContact CD1-CD2 4.3Å; I31-Y275 HydrophobicContact CD1-CG 3.57Å; I31-Y275 HydrophobicContact CG2-CD1 4.31Å; I31-Y275 HydrophobicContact CG2-CD2 3.55Å; I31-Y275 HydrophobicContact CG2-CE1 4.44Å; I31-Y275 HydrophobicContact CG2-CE2 3.67Å; I31-Y275 HydrophobicContact CG2-CG 3.89Å; L208-Y275 HydrophobicContact CD1-CD1 4.11Å; L208-Y275 HydrophobicContact CD1-CE1 3.44Å; L208-Y275 VanDerWaalsContact CD1-CE1 3.44Å; L208-Y275 HydrophobicContact CG-CE1 3.71Å; L208-Y275 WeakPolarHBondContact O-CE1 3.3Å; L211-Y275 HydrophobicContact CB-CD1 3.89Å; L211-Y275 CarbonylContact O-C 3.58Å; L211-Y275 VanDerWaalsContact O-CA 3.25Å; L211-Y275 WeakPolarHBondContact O-CA 3.26Å; L211-Y275 WeakPolarHBondContact O-CB 3.05Å; K212-Y275 HydrophobicContact CB-CD1 4Å; K212-Y275 HydrophobicContact CB-CE1 3.89Å; K212-Y275 HydrophobicContact CG-CE1 4.22Å; C226-Y275 CarbonylContact C-O 3.16Å; C226-Y275 WeakPolarHBondContact CA-O 3.22Å; C226-Y275 WeakPolarHBondContact CB-O 3.36Å; V227-Y275 PolarHBondContact N-O 3.28Å; V227-Y275 PolarHBondContact O-N 3.38Å; E273-Y275 HydrophobicContact CB-CE2 4.01Å; E273-Y275 PolarHBondContact OE2-OH 2.94Å; Y275-Y277 PolarHBondContact O-N 2.97Å
276H93.8Very high77Confident7 Ų750.6 Ų50.63%0.03227%0.269CS..EExtended strand (participates in β ladder)trans-57131.6171.2-73.2-80.9000110.8L211 L213 H322 Q324L211-H276 PolarHBondContact O-CD2 3.23Å; L211-H276 VanDerWaalsContact O-CD2 3.28Å; L211-H276 PolarHBondContact O-N 3.2Å; L213-H276 WeakPolarHBondContact CD2-CE1 3.31Å; L213-H276 WeakPolarHBondContact CD2-NE2 3.21Å; H276-H322 AromaticContact CE1-CE1 3.82Å; H276-H322 AromaticContact CE1-NE2 4Å; H276-H322 AromaticContact ND1-NE2 3.74Å; H276-Q324 VanDerWaalsContact CE1-CD 3.49Å; H276-Q324 PolarHBondContact CE1-OE1 3.27Å; H276-Q324 PolarHBondContact NE2-NE2 2.87Å; H276-Q324 PolarHBondContact NE2-OE1 3.36Å; H276-Q324 VanDerWaalsContact NE2-OE1 3.09Å
277Y94.9Very high80.3Confident4 Ų445.8 Ų45.82%0.01624%0.24CC..SBendtrans-71.2-66.7169.1173.1-133000110.4F21 S23 K25 C224 L225 V227 Y275 H309 I310 A313F21-Y277 WeakPolarHBondContact CA-O 3.31Å; F21-Y277 HydrophobicContact CB-CD2 4.07Å; F21-Y277 HydrophobicContact CB-CE2 3.92Å; F21-Y277 WeakPolarHBondContact CB-O 3.48Å; F21-Y277 AromaticContact CD1-CE2 3.87Å; F21-Y277 HydrophobicContact CD1-CE2 3.87Å; F21-Y277 AromaticContact CD1-CZ 3.97Å; F21-Y277 HydrophobicContact CD2-CE2 4.11Å; F21-Y277 HydrophobicContact CE1-CE2 4.37Å; F21-Y277 HydrophobicContact CG-CD2 4.36Å; F21-Y277 AromaticContact CG-CE2 3.73Å; F21-Y277 HydrophobicContact CG-CE2 3.73Å; S23-Y277 WeakPolarHBondContact O-CE2 3.38Å; K25-Y277 HydrophobicContact CD-CD2 4.3Å; K25-Y277 HydrophobicContact CD-CE2 4.45Å; K25-Y277 HydrophobicContact CD-CG 4.4Å; K25-Y277 HydrophobicContact CG-CD2 4.37Å; K25-Y277 HydrophobicContact CG-CE1 4.31Å; K25-Y277 HydrophobicContact CG-CE2 4.02Å; C224-Y277 WeakPolarHBondContact O-CD1 3.39Å; L225-Y277 WeakPolarHBondContact O-CB 3.28Å; L225-Y277 PolarHBondContact O-N 3.26Å; V227-Y277 HydrophobicContact CG1-CD2 3.86Å; V227-Y277 HydrophobicContact CG1-CG 4.38Å; Y275-Y277 PolarHBondContact O-N 2.97Å; Y277-H309 HydrophobicContact CE1-CB 4.13Å; Y277-I310 HydrophobicContact CE1-CG1 4.47Å; Y277-A313 HydrophobicContact CD1-CB 3.97Å; Y277-A313 HydrophobicContact CE1-CB 4.25Å
278L96Very high83.5Confident1 Ų141.5 Ų41.51%0.00521%0.21CC..SBendtrans-89.4144.7171.1-48.4-175000110.1L20 F21 F282 Y283 I310 A313 I314L20-L278 HydrophobicContact CB-CD2 4.45Å; L20-L278 CarbonylContact O-C 3.55Å; L20-L278 VanDerWaalsContact O-CA 3.28Å; L20-L278 WeakPolarHBondContact O-CA 3.41Å; F21-L278 HydrophobicContact CB-CD2 4.13Å; F21-L278 HydrophobicContact CD1-CD2 4.2Å; L278-F282 HydrophobicContact CD1-CD1 4.09Å; L278-F282 HydrophobicContact CD1-CE1 4.2Å; L278-Y283 HydrophobicContact CB-CE2 3.72Å; L278-Y283 HydrophobicContact CD1-CE1 4.37Å; L278-Y283 WeakPolarHBondContact O-CE2 3.35Å; L278-I310 HydrophobicContact CD1-CG2 4.04Å; L278-I310 HydrophobicContact CD2-CG1 3.99Å; L278-I310 HydrophobicContact CD2-CG2 4.45Å; L278-A313 HydrophobicContact CD1-CB 3.82Å; L278-A313 HydrophobicContact CG-CB 4.08Å; L278-I314 HydrophobicContact CD1-CG1 4.32Å
279M95.2Very high86.7Confident2 Ų235.3 Ų35.31%0.0118%0.177CC..  trans-58.8136.1179.5-68.2-67.2-146.600112.5L20 L22 L211 A281 F282 L497 I500 I501L20-M279 WeakPolarHBondContact O-CG 3.29Å; L20-M279 PolarHBondContact O-N 2.97Å; L22-M279 HydrophobicContact CD1-CE 3.36Å; L22-M279 HydrophobicContact CD1-SD 4.09Å; L211-M279 HydrophobicContact CD2-CE 4.21Å; L211-M279 HydrophobicContact CD2-SD 3.48Å; L211-M279 WeakPolarHBondContact CD2-SD 3.47Å; M279-A281 PolarHBondContact O-N 2.9Å; M279-A281 VanDerWaalsContact O-N 3.13Å; M279-F282 WeakPolarHBondContact O-CB 3.37Å; M279-F282 PolarHBondContact O-N 3.41Å; M279-L497 HydrophobicContact CE-CD1 3.17Å; M279-L497 HydrophobicContact CE-CG 4.24Å; M279-I500 HydrophobicContact CB-CG2 3.79Å; M279-I500 HydrophobicContact CE-CB 4.48Å; M279-I500 HydrophobicContact CE-CG2 3.89Å; M279-I500 HydrophobicContact CG-CG2 3.61Å; M279-I500 HydrophobicContact SD-CG2 4.23Å; M279-I501 HydrophobicContact CE-CB 4.4Å; M279-I501 HydrophobicContact CE-CD1 3.97Å; M279-I501 HydrophobicContact CE-CG1 3.2Å; M279-I501 HydrophobicContact SD-CG1 3.93Å
280P94.8Very high89.8Confident18 Ų1828.7 Ų28.712%0.11714%0.142CC..Hα-helixtrans-52.7-34.1173.4-29.536.5000114F282 Y283 R284P280-F282 PolarHBondContact O-N 3.09Å; P280-Y283 PolarHBondContact O-N 2.81Å; P280-R284 PolarHBondContact O-N 2.89Å
281A97.2Very high92.2Very high2 Ų228.6 Ų28.62%0.01714%0.138CC..Hα-helixtrans-59.6-33.3177.300000113.2M279 R284 L285 I500 R504 F507M279-A281 PolarHBondContact O-N 2.9Å; M279-A281 VanDerWaalsContact O-N 3.13Å; A281-R284 PolarHBondContact O-N 2.81Å; A281-L285 PolarHBondContact O-N 2.73Å; A281-I500 HydrophobicContact CB-CG2 4.19Å; A281-R504 WeakPolarHBondContact CA-O 3.17Å; A281-F507 HydrophobicContact CB-CD2 3.97Å; A281-F507 HydrophobicContact CB-CE2 4.04Å
282F98.2Very high94.1Very high0 Ų023.6 Ų23.60%011%0.113CC..Hα-helixtrans-70.8-45.1177.6-179.9-115.6000111.6F14 L20 L278 M279 P280 R284 L285 L286 I298 I300 I314 F507F14-F282 HydrophobicContact CD2-CE2 4.11Å; F14-F282 HydrophobicContact CE1-CD2 4.36Å; F14-F282 HydrophobicContact CE1-CE2 4.47Å; F14-F282 AromaticContact CE2-CE2 3.92Å; F14-F282 HydrophobicContact CE2-CE2 3.92Å; F14-F282 HydrophobicContact CG-CE2 4.46Å; F14-F282 HydrophobicContact CZ-CD2 4.29Å; F14-F282 HydrophobicContact CZ-CE2 4.13Å; L20-F282 HydrophobicContact CD2-CB 4.03Å; L20-F282 HydrophobicContact CD2-CD1 4.04Å; L20-F282 HydrophobicContact CD2-CD2 3.32Å; L20-F282 HydrophobicContact CD2-CE1 4.33Å; L20-F282 HydrophobicContact CD2-CE2 3.66Å; L20-F282 HydrophobicContact CD2-CG 3.52Å; L20-F282 HydrophobicContact CD2-CZ 4.15Å; L278-F282 HydrophobicContact CD1-CD1 4.09Å; L278-F282 HydrophobicContact CD1-CE1 4.2Å; M279-F282 WeakPolarHBondContact O-CB 3.37Å; M279-F282 PolarHBondContact O-N 3.41Å; P280-F282 PolarHBondContact O-N 3.09Å; F282-R284 VanDerWaalsContact C-N 3.28Å; F282-R284 PolarHBondContact O-N 2.68Å; F282-L285 HydrophobicContact CD2-CD2 4.33Å; F282-L285 WeakPolarHBondContact O-CB 3.38Å; F282-L285 PolarHBondContact O-N 3.36Å; F282-L285 VanDerWaalsContact O-N 3.16Å; F282-L286 HydrophobicContact CD1-CD1 4.42Å; F282-L286 HydrophobicContact CE1-CD1 4.07Å; F282-L286 HydrophobicContact CE1-CG 4.44Å; F282-L286 HydrophobicContact CE2-CD2 4.46Å; F282-L286 HydrophobicContact CZ-CD1 4.5Å; F282-L286 HydrophobicContact CZ-CD2 4.17Å; F282-L286 HydrophobicContact CZ-CG 4.5Å; F282-L286 WeakPolarHBondContact O-CG 3.49Å; F282-L286 PolarHBondContact O-N 3.06Å; F282-I298 HydrophobicContact CE2-CD1 4.43Å; F282-I298 HydrophobicContact CE2-CG2 4.5Å; F282-I298 HydrophobicContact CZ-CD1 4.43Å; F282-I298 HydrophobicContact CZ-CG2 4.32Å; F282-I300 HydrophobicContact CZ-CD1 4.46Å; F282-I314 HydrophobicContact CE1-CD1 3.84Å; F282-I314 HydrophobicContact CE1-CG1 4Å; F282-I314 HydrophobicContact CZ-CD1 4.16Å; F282-F507 HydrophobicContact CB-CD2 4.44Å; F282-F507 HydrophobicContact CB-CE2 4.06Å
283Y97.5Very high95.1Very high0 Ų027.1 Ų27.10%012%0.124CC..Hα-helixtrans-62.7-36.6174.3-64.5-67.5000112.1L225 L278 P280 L285 L286 T287 Y317 H322L225-Y283 VanDerWaalsContact CD2-OH 3.25Å; L225-Y283 WeakPolarHBondContact CD2-OH 3.22Å; L278-Y283 HydrophobicContact CB-CE2 3.72Å; L278-Y283 HydrophobicContact CD1-CE1 4.37Å; L278-Y283 WeakPolarHBondContact O-CE2 3.35Å; P280-Y283 PolarHBondContact O-N 2.81Å; Y283-L285 VanDerWaalsContact C-N 3.33Å; Y283-L285 PolarHBondContact O-N 3.44Å; Y283-L286 HydrophobicContact CD1-CD1 4.26Å; Y283-L286 WeakPolarHBondContact O-CB 3.49Å; Y283-L286 PolarHBondContact O-N 3.2Å; Y283-T287 PolarHBondContact O-N 3.3Å; Y283-T287 PolarHBondContact O-OG1 3.3Å; Y283-T287 VanDerWaalsContact O-OG1 3.12Å; Y283-Y317 HydrophobicContact CD1-CD1 4.13Å; Y283-Y317 AromaticContact CD1-CD2 3.59Å; Y283-Y317 HydrophobicContact CD1-CD2 3.59Å; Y283-Y317 HydrophobicContact CD1-CE2 4.25Å; Y283-Y317 AromaticContact CD1-CG 3.52Å; Y283-Y317 HydrophobicContact CD1-CG 3.52Å; Y283-Y317 HydrophobicContact CE1-CD2 4.32Å; Y283-Y317 AromaticContact CE1-CG 3.95Å; Y283-Y317 HydrophobicContact CE1-CG 3.95Å; Y283-Y317 HydrophobicContact CG-CD2 4.18Å; Y283-H322 AromaticContact CD2-CD2 3.47Å; Y283-H322 VanDerWaalsContact CD2-CD2 3.47Å; Y283-H322 WeakPolarHBondContact CD2-CD2 3.12Å; Y283-H322 AromaticContact CD2-NE2 3.31Å; Y283-H322 VanDerWaalsContact CD2-NE2 3.31Å; Y283-H322 WeakPolarHBondContact CD2-NE2 3.26Å; Y283-H322 AromaticContact CE2-CD2 3.28Å; Y283-H322 WeakPolarHBondContact CE2-CD2 3.35Å; Y283-H322 AromaticContact CE2-NE2 3.29Å; Y283-H322 VanDerWaalsContact CE2-NE2 3.29Å; Y283-H322 WeakPolarHBondContact CE2-NE2 3.36Å; Y283-H322 AromaticContact CG-CD2 3.93Å; Y283-H322 AromaticContact CZ-CD2 3.61Å
284R97.4Very high95.4Very high65 Ų6525.5 Ų25.525%0.24512%0.116CC..Hα-helixtrans-61.8-40.5173.9179.555.3-171.6142.51112.1P280 A281 F282 T287 W288 E291 E325 R504 N505 I508P280-R284 PolarHBondContact O-N 2.89Å; A281-R284 PolarHBondContact O-N 2.81Å; F282-R284 VanDerWaalsContact C-N 3.28Å; F282-R284 PolarHBondContact O-N 2.68Å; R284-T287 WeakPolarHBondContact O-CB 3.26Å; R284-T287 PolarHBondContact O-N 2.81Å; R284-W288 WeakPolarHBondContact O-CB 3.37Å; R284-W288 PolarHBondContact O-N 3.22Å; R284-E291 IonicContact NH1-OE2 2.72Å; R284-E291 PolarHBondContact NH1-OE2 2.61Å; R284-E325 WeakPolarHBondContact CB-OE1 3.41Å; R284-R504 HydrophobicContact CB-CG 4Å; R284-R504 VanDerWaalsContact CB-O 3.29Å; R284-R504 WeakPolarHBondContact CB-O 3.15Å; R284-R504 HydrophobicContact CG-CG 4.19Å; R284-R504 VanDerWaalsContact CG-O 3.25Å; R284-R504 WeakPolarHBondContact CG-O 3.34Å; R284-N505 PolarHBondContact NE-OD1 3.04Å; R284-I508 HydrophobicContact CG-CD1 3.89Å
285L98.3Very high95.7Very high0 Ų029 Ų290%014%0.135CC..Hα-helixtrans-59.2-47171.9173.373.3000111.4L12 F14 A281 F282 Y283 T287 W288 L289 F507 I508 V511L12-L285 HydrophobicContact CD1-CD2 4.02Å; F14-L285 HydrophobicContact CE1-CD2 4.49Å; F14-L285 HydrophobicContact CE2-CD2 4.17Å; F14-L285 HydrophobicContact CZ-CD2 3.54Å; A281-L285 PolarHBondContact O-N 2.73Å; F282-L285 HydrophobicContact CD2-CD2 4.33Å; F282-L285 WeakPolarHBondContact O-CB 3.38Å; F282-L285 PolarHBondContact O-N 3.36Å; F282-L285 VanDerWaalsContact O-N 3.16Å; Y283-L285 VanDerWaalsContact C-N 3.33Å; Y283-L285 PolarHBondContact O-N 3.44Å; L285-T287 VanDerWaalsContact C-N 3.34Å; L285-T287 PolarHBondContact O-N 2.7Å; L285-W288 HydrophobicContact CD1-CE3 4.02Å; L285-W288 HydrophobicContact CD1-CZ3 4.34Å; L285-W288 PolarHBondContact O-N 3.17Å; L285-L289 HydrophobicContact CD1-CD1 4.23Å; L285-L289 HydrophobicContact CD1-CG 4.18Å; L285-L289 HydrophobicContact CD2-CD1 4.49Å; L285-L289 HydrophobicContact CG-CD1 3.96Å; L285-L289 HydrophobicContact CG-CG 4.32Å; L285-L289 WeakPolarHBondContact O-CG 3.42Å; L285-L289 PolarHBondContact O-N 3.37Å; L285-F507 HydrophobicContact CB-CB 4.11Å; L285-F507 HydrophobicContact CD1-CB 4.18Å; L285-F507 HydrophobicContact CD2-CB 3.88Å; L285-F507 HydrophobicContact CD2-CG 4.4Å; L285-F507 HydrophobicContact CG-CB 4.27Å; L285-I508 HydrophobicContact CB-CG1 4.44Å; L285-I508 HydrophobicContact CD1-CG1 4Å; L285-V511 HydrophobicContact CD1-CG2 4.39Å
286L97.9Very high95.8Very high0 Ų029.3 Ų29.30%014%0.136CC..Hα-helixtrans-57.3-48.1177.1-60.8-179.9000111.2F282 Y283 W288 L289 I290 I298 I314 Y317 L335F282-L286 HydrophobicContact CD1-CD1 4.42Å; F282-L286 HydrophobicContact CE1-CD1 4.07Å; F282-L286 HydrophobicContact CE1-CG 4.44Å; F282-L286 HydrophobicContact CE2-CD2 4.46Å; F282-L286 HydrophobicContact CZ-CD1 4.5Å; F282-L286 HydrophobicContact CZ-CD2 4.17Å; F282-L286 HydrophobicContact CZ-CG 4.5Å; F282-L286 WeakPolarHBondContact O-CG 3.49Å; F282-L286 PolarHBondContact O-N 3.06Å; Y283-L286 HydrophobicContact CD1-CD1 4.26Å; Y283-L286 WeakPolarHBondContact O-CB 3.49Å; Y283-L286 PolarHBondContact O-N 3.2Å; L286-W288 VanDerWaalsContact C-N 3.34Å; L286-W288 PolarHBondContact O-N 2.82Å; L286-L289 PolarHBondContact O-N 2.93Å; L286-I290 WeakPolarHBondContact O-CD1 3.13Å; L286-I290 VanDerWaalsContact O-CG1 3.28Å; L286-I290 WeakPolarHBondContact O-CG1 3.4Å; L286-I290 PolarHBondContact O-N 2.79Å; L286-I290 VanDerWaalsContact O-N 3.17Å; L286-I298 HydrophobicContact CD2-CD1 3.22Å; L286-I314 HydrophobicContact CD1-CG1 4.42Å; L286-I314 HydrophobicContact CD1-CG2 4.25Å; L286-Y317 HydrophobicContact CB-CE1 3.89Å; L286-Y317 HydrophobicContact CD1-CD1 3.98Å; L286-Y317 HydrophobicContact CD1-CE1 3.92Å; L286-L335 HydrophobicContact CD1-CD2 4.01Å; L286-L335 HydrophobicContact CD2-CD1 4.24Å; L286-L335 HydrophobicContact CD2-CD2 4.16Å; L286-L335 HydrophobicContact CG-CD2 4.48Å
287T97Very high96Very high4 Ų429 Ų293%0.02513%0.134CC..Hα-helixtrans-54.4-50.7175.2-57.70000110.5Y283 R284 L285 L289 I290 E291 Y317 E325 P328Y283-T287 PolarHBondContact O-N 3.3Å; Y283-T287 PolarHBondContact O-OG1 3.3Å; Y283-T287 VanDerWaalsContact O-OG1 3.12Å; R284-T287 WeakPolarHBondContact O-CB 3.26Å; R284-T287 PolarHBondContact O-N 2.81Å; L285-T287 VanDerWaalsContact C-N 3.34Å; L285-T287 PolarHBondContact O-N 2.7Å; T287-L289 PolarHBondContact O-N 2.78Å; T287-I290 PolarHBondContact O-N 2.83Å; T287-E291 HydrophobicContact CG2-CG 4.18Å; T287-E291 WeakPolarHBondContact O-CB 3.19Å; T287-E291 VanDerWaalsContact O-CG 3.3Å; T287-E291 WeakPolarHBondContact O-CG 3.49Å; T287-E291 PolarHBondContact O-N 3.23Å; T287-Y317 WeakPolarHBondContact CA-OH 2.98Å; T287-Y317 PolarHBondContact N-OH 3.14Å; T287-Y317 PolarHBondContact OG1-OH 3.25Å; T287-E325 PolarHBondContact OG1-OE2 3.41Å; T287-P328 HydrophobicContact CG2-CG 4.14Å
288W96.9Very high96.2Very high29 Ų2928.8 Ų28.811%0.1113%0.133CC..Hα-helixtrans-62.8-43-178.7174.583.9000113.3R284 L285 L286 I290 E291 T292 I508 V511R284-W288 WeakPolarHBondContact O-CB 3.37Å; R284-W288 PolarHBondContact O-N 3.22Å; L285-W288 HydrophobicContact CD1-CE3 4.02Å; L285-W288 HydrophobicContact CD1-CZ3 4.34Å; L285-W288 PolarHBondContact O-N 3.17Å; L286-W288 VanDerWaalsContact C-N 3.34Å; L286-W288 PolarHBondContact O-N 2.82Å; W288-I290 VanDerWaalsContact C-N 3.28Å; W288-I290 PolarHBondContact O-N 2.68Å; W288-E291 PolarHBondContact O-N 2.95Å; W288-T292 HydrophobicContact CD2-CG2 4.35Å; W288-T292 HydrophobicContact CG-CG2 4.31Å; W288-T292 WeakPolarHBondContact O-CB 3.29Å; W288-T292 VanDerWaalsContact O-CG2 3.3Å; W288-T292 WeakPolarHBondContact O-CG2 3.43Å; W288-T292 PolarHBondContact O-N 3.45Å; W288-T292 PolarHBondContact O-OG1 3.47Å; W288-I508 HydrophobicContact CB-CD1 3.45Å; W288-I508 VanDerWaalsContact CB-CD1 3.45Å; W288-I508 HydrophobicContact CB-CG1 3.95Å; W288-I508 HydrophobicContact CD2-CB 4.48Å; W288-I508 HydrophobicContact CD2-CD1 4.29Å; W288-I508 HydrophobicContact CD2-CG1 3.96Å; W288-I508 HydrophobicContact CD2-CG2 3.83Å; W288-I508 HydrophobicContact CE3-CG1 4.14Å; W288-I508 HydrophobicContact CE3-CG2 4.36Å; W288-I508 HydrophobicContact CG-CD1 3.66Å; W288-I508 HydrophobicContact CG-CG1 3.88Å; W288-I508 HydrophobicContact CG-CG2 4.1Å; W288-I508 HydrophobicContact CZ2-CG2 4.06Å; W288-V511 HydrophobicContact CH2-CG1 4.1Å; W288-V511 HydrophobicContact CZ3-CG1 4.15Å
289L96.7Very high96.3Very high0 Ų028.8 Ų28.80%013%0.134CC..Hα-helixtrans-59.4-41177.4-72.5169.6000111.5L10 L12 L285 L286 T287 T292 K293 R294 F296 I298L10-L289 HydrophobicContact CD1-CD2 4Å; L12-L289 HydrophobicContact CD1-CD1 4.03Å; L285-L289 HydrophobicContact CD1-CD1 4.23Å; L285-L289 HydrophobicContact CD1-CG 4.18Å; L285-L289 HydrophobicContact CD2-CD1 4.49Å; L285-L289 HydrophobicContact CG-CD1 3.96Å; L285-L289 HydrophobicContact CG-CG 4.32Å; L285-L289 WeakPolarHBondContact O-CG 3.42Å; L285-L289 PolarHBondContact O-N 3.37Å; L286-L289 PolarHBondContact O-N 2.93Å; T287-L289 PolarHBondContact O-N 2.78Å; L289-T292 PolarHBondContact O-OG1 2.61Å; L289-K293 PolarHBondContact O-N 2.78Å; L289-R294 HydrophobicContact CD2-CB 3.95Å; L289-R294 HydrophobicContact CD2-CG 3.9Å; L289-R294 WeakPolarHBondContact O-CB 3.36Å; L289-R294 PolarHBondContact O-N 3.07Å; L289-F296 HydrophobicContact CB-CD1 3.77Å; L289-F296 HydrophobicContact CB-CE1 3.67Å; L289-F296 HydrophobicContact CB-CG 4.28Å; L289-F296 HydrophobicContact CB-CZ 4.07Å; L289-F296 HydrophobicContact CD1-CD1 4.34Å; L289-F296 HydrophobicContact CD1-CD2 3.86Å; L289-F296 HydrophobicContact CD1-CE2 4.08Å; L289-F296 HydrophobicContact CD1-CG 3.99Å; L289-F296 HydrophobicContact CD1-CZ 4.45Å; L289-F296 HydrophobicContact CD2-CB 4.29Å; L289-F296 HydrophobicContact CD2-CD1 4.29Å; L289-F296 HydrophobicContact CD2-CG 4.25Å; L289-F296 HydrophobicContact CG-CD1 4.36Å; L289-F296 HydrophobicContact CG-CG 4.41Å; L289-I298 HydrophobicContact CD1-CD1 4.24Å
290I95.4Very high96.5Very high1 Ų128.7 Ų28.71%0.00513%0.133CC..Hα-helixtrans-72.4-48.3179.2-62.4161.1000111.1L286 T287 W288 T292 K293 F296 P328 N330 A331 F334L286-I290 WeakPolarHBondContact O-CD1 3.13Å; L286-I290 VanDerWaalsContact O-CG1 3.28Å; L286-I290 WeakPolarHBondContact O-CG1 3.4Å; L286-I290 PolarHBondContact O-N 2.79Å; L286-I290 VanDerWaalsContact O-N 3.17Å; T287-I290 PolarHBondContact O-N 2.83Å; W288-I290 VanDerWaalsContact C-N 3.28Å; W288-I290 PolarHBondContact O-N 2.68Å; I290-T292 VanDerWaalsContact C-N 3.3Å; I290-T292 PolarHBondContact O-N 2.89Å; I290-K293 PolarHBondContact O-N 3.46Å; I290-F296 HydrophobicContact CG1-CZ 4.41Å; I290-P328 HydrophobicContact CB-CG 4.07Å; I290-P328 HydrophobicContact CG2-CB 3.77Å; I290-P328 HydrophobicContact CG2-CG 3.82Å; I290-N330 WeakPolarHBondContact CG2-OD1 3.41Å; I290-A331 HydrophobicContact CD1-CB 3.81Å; I290-F334 HydrophobicContact CG1-CB 3.98Å; I290-F334 HydrophobicContact CG2-CB 4.23Å; I290-F334 HydrophobicContact CG2-CD2 4.33Å; I290-F334 HydrophobicContact CG2-CG 4.27Å
291E94.5Very high96.6Very high115 Ų11527.9 Ų27.954%0.53713%0.127SC..Hα-helixtrans-62.3-37.6-178.9-74.3177.815600112.3R284 T287 W288 K293 P328R284-E291 IonicContact NH1-OE2 2.72Å; R284-E291 PolarHBondContact NH1-OE2 2.61Å; T287-E291 HydrophobicContact CG2-CG 4.18Å; T287-E291 WeakPolarHBondContact O-CB 3.19Å; T287-E291 VanDerWaalsContact O-CG 3.3Å; T287-E291 WeakPolarHBondContact O-CG 3.49Å; T287-E291 PolarHBondContact O-N 3.23Å; W288-E291 PolarHBondContact O-N 2.95Å; E291-K293 PolarHBondContact O-N 3.31Å; E291-P328 HydrophobicContact CG-CG 3.96Å
292T93.3Very high96.4Very high54 Ų5428 Ų2833%0.33113%0.128SC..THydrogen-bonded Turntrans-81.62.1177.260.20000113.6W288 L289 I290 R294W288-T292 HydrophobicContact CD2-CG2 4.35Å; W288-T292 HydrophobicContact CG-CG2 4.31Å; W288-T292 WeakPolarHBondContact O-CB 3.29Å; W288-T292 VanDerWaalsContact O-CG2 3.3Å; W288-T292 WeakPolarHBondContact O-CG2 3.43Å; W288-T292 PolarHBondContact O-N 3.45Å; W288-T292 PolarHBondContact O-OG1 3.47Å; L289-T292 PolarHBondContact O-OG1 2.61Å; I290-T292 VanDerWaalsContact C-N 3.3Å; I290-T292 PolarHBondContact O-N 2.89Å; T292-R294 PolarHBondContact O-N 2.83Å; T292-R294 VanDerWaalsContact O-N 3.17Å
293K92.4Very high96Very high163 Ų16330.1 Ų30.171%0.70914%0.136SC*.THydrogen-bonded Turntrans51.436-177.1-56.5178.8-177.7176.20112.2L289 I290 E291L289-K293 PolarHBondContact O-N 2.78Å; I290-K293 PolarHBondContact O-N 3.46Å; E291-K293 PolarHBondContact O-N 3.31Å
294R92.6Very high95.4Very high11 Ų1131.4 Ų31.44%0.04215%0.15CC..  trans-63.3140.5176.9-154.881.2176.481.63.4108.6R7 R8 L10 L289 T292 F296 E515R7-R294 VanDerWaalsContact C-NH1 3.27Å; R7-R294 PolarHBondContact O-NH1 2.88Å; R8-R294 PolarHBondContact O-NH1 3.32Å; R8-R294 PolarHBondContact O-NH2 2.76Å; L10-R294 HydrophobicContact CD1-CG 3.99Å; L10-R294 HydrophobicContact CG-CG 4.34Å; L289-R294 HydrophobicContact CD2-CB 3.95Å; L289-R294 HydrophobicContact CD2-CG 3.9Å; L289-R294 WeakPolarHBondContact O-CB 3.36Å; L289-R294 PolarHBondContact O-N 3.07Å; T292-R294 PolarHBondContact O-N 2.83Å; T292-R294 VanDerWaalsContact O-N 3.17Å; R294-F296 HydrophobicContact CB-CD1 4.24Å; R294-F296 VanDerWaalsContact O-CD1 3.3Å; R294-F296 WeakPolarHBondContact O-CD1 3.3Å; R294-E515 IonicContact CZ-OE1 3.63Å; R294-E515 IonicContact CZ-OE2 2.94Å; R294-E515 IonicContact NE-OE2 3.46Å; R294-E515 IonicContact NH2-OE1 3.16Å; R294-E515 PolarHBondContact NH2-OE1 2.71Å; R294-E515 IonicContact NH2-OE2 3.12Å; R294-E515 PolarHBondContact NH2-OE2 2.72Å
295Q95.3Very high94.8Very high134 Ų13435.5 Ų35.563%0.62617%0.17SC*.  trans-79.4127.5158.8-68.9-169.8-11.800108.2K9 L10K9-Q295 WeakPolarHBondContact CA-O 3.25Å; K9-Q295 HydrophobicContact CB-CB 4.05Å; K9-Q295 HydrophobicContact CD-CB 4.35Å; K9-Q295 HydrophobicContact CG-CB 3.87Å; L10-Q295 PolarHBondContact N-O 3.08Å
296F97.4Very high94.3Very high5 Ų535.8 Ų35.82%0.02217%0.171CC..EExtended strand (participates in β ladder)trans-153.6162.8-179.668.4-85.6000113.7L10 L289 I290 R294 I298 L335L10-F296 HydrophobicContact CB-CB 4.22Å; L10-F296 CarbonylContact O-C 3.44Å; L10-F296 WeakPolarHBondContact O-CA 3.34Å; L10-F296 WeakPolarHBondContact O-CB 3.22Å; L289-F296 HydrophobicContact CB-CD1 3.77Å; L289-F296 HydrophobicContact CB-CE1 3.67Å; L289-F296 HydrophobicContact CB-CG 4.28Å; L289-F296 HydrophobicContact CB-CZ 4.07Å; L289-F296 HydrophobicContact CD1-CD1 4.34Å; L289-F296 HydrophobicContact CD1-CD2 3.86Å; L289-F296 HydrophobicContact CD1-CE2 4.08Å; L289-F296 HydrophobicContact CD1-CG 3.99Å; L289-F296 HydrophobicContact CD1-CZ 4.45Å; L289-F296 HydrophobicContact CD2-CB 4.29Å; L289-F296 HydrophobicContact CD2-CD1 4.29Å; L289-F296 HydrophobicContact CD2-CG 4.25Å; L289-F296 HydrophobicContact CG-CD1 4.36Å; L289-F296 HydrophobicContact CG-CG 4.41Å; I290-F296 HydrophobicContact CG1-CZ 4.41Å; R294-F296 HydrophobicContact CB-CD1 4.24Å; R294-F296 VanDerWaalsContact O-CD1 3.3Å; R294-F296 WeakPolarHBondContact O-CD1 3.3Å; F296-I298 HydrophobicContact CD2-CD1 4.29Å; F296-I298 HydrophobicContact CD2-CG1 4.09Å; F296-I298 HydrophobicContact CE2-CD1 4.18Å; F296-I298 HydrophobicContact CE2-CG1 4.39Å; F296-L335 HydrophobicContact CE2-CD1 3.46Å; F296-L335 VanDerWaalsContact CE2-CD1 3.46Å; F296-L335 HydrophobicContact CZ-CD1 3.75Å
297A98.2Very high94Very high0 Ų035.8 Ų35.80%017%0.171CC..EExtended strand (participates in β ladder)trans-136.1151160.100000109.5L10 I11 L12 F299 Q388 G390L10-A297 PolarHBondContact O-N 3.14Å; I11-A297 HydrophobicContact CD1-CB 3.86Å; L12-A297 PolarHBondContact N-O 3.2Å; A297-F299 HydrophobicContact CB-CD2 4.47Å; A297-F299 HydrophobicContact CB-CE2 3.92Å; A297-Q388 HydrophobicContact CB-CB 3.92Å; A297-Q388 HydrophobicContact CB-CG 4.04Å; A297-Q388 WeakPolarHBondContact CB-O 3.45Å; A297-G390 CarbonylContact C-O 3.59Å; A297-G390 WeakPolarHBondContact CA-O 3.29Å
298I98.5Very high93.8Very high0 Ų039.8 Ų39.80%019%0.19CC..EExtended strand (participates in β ladder)trans-121.2125.1177.3-63.6174.1000108.7L12 F14 F282 L286 L289 F296 I300 G390 V391 I392L12-I298 HydrophobicContact CB-CG1 4.39Å; L12-I298 CarbonylContact O-C 3.51Å; L12-I298 VanDerWaalsContact O-CA 3.29Å; L12-I298 WeakPolarHBondContact O-CA 3.4Å; F14-I298 HydrophobicContact CD2-CG2 3.88Å; F14-I298 HydrophobicContact CE2-CG2 4.21Å; F282-I298 HydrophobicContact CE2-CD1 4.43Å; F282-I298 HydrophobicContact CE2-CG2 4.5Å; F282-I298 HydrophobicContact CZ-CD1 4.43Å; F282-I298 HydrophobicContact CZ-CG2 4.32Å; L286-I298 HydrophobicContact CD2-CD1 3.22Å; L289-I298 HydrophobicContact CD1-CD1 4.24Å; F296-I298 HydrophobicContact CD2-CD1 4.29Å; F296-I298 HydrophobicContact CD2-CG1 4.09Å; F296-I298 HydrophobicContact CE2-CD1 4.18Å; F296-I298 HydrophobicContact CE2-CG1 4.39Å; I298-I300 HydrophobicContact CG2-CD1 3.88Å; I298-G390 PolarHBondContact N-O 3.02Å; I298-V391 HydrophobicContact CB-CB 4.49Å; I298-V391 HydrophobicContact CB-CG1 4.14Å; I298-V391 HydrophobicContact CB-CG2 4.19Å; I298-V391 HydrophobicContact CD1-CG2 4.49Å; I298-V391 HydrophobicContact CG2-CG1 4.05Å; I298-V391 CarbonylContact O-C 3.57Å; I298-V391 WeakPolarHBondContact O-CA 3.36Å; I298-I392 PolarHBondContact O-N 3.34Å
299F98.3Very high93.6Very high2 Ų240.6 Ų40.61%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-108.6112.3174.9-72.7-98.2000108.4I11 L12 H13 F14 A297 R301 W385 Q388 I392 I394I11-F299 HydrophobicContact CG2-CD2 3.67Å; I11-F299 HydrophobicContact CG2-CE2 3.56Å; L12-F299 PolarHBondContact O-N 3.23Å; H13-F299 CarbonylContact C-O 3.51Å; H13-F299 WeakPolarHBondContact CA-O 3.28Å; H13-F299 AromaticContact CE1-CD2 3.99Å; H13-F299 AromaticContact CE1-CG 3.92Å; H13-F299 AromaticContact ND1-CG 3.97Å; F14-F299 PolarHBondContact N-O 3.33Å; A297-F299 HydrophobicContact CB-CD2 4.47Å; A297-F299 HydrophobicContact CB-CE2 3.92Å; F299-R301 HydrophobicContact CB-CG 4.43Å; F299-R301 PolarHBondContact O-N 2.98Å; F299-W385 HydrophobicContact CE1-CB 4.33Å; F299-W385 AromaticContact CE1-CD1 3.65Å; F299-W385 HydrophobicContact CE1-CD2 4.21Å; F299-W385 AromaticContact CE1-CG 3.83Å; F299-W385 HydrophobicContact CE1-CG 3.83Å; F299-W385 AromaticContact CE1-NE1 3.9Å; F299-W385 HydrophobicContact CE2-CB 4.22Å; F299-W385 HydrophobicContact CZ-CB 3.77Å; F299-W385 AromaticContact CZ-CD1 3.85Å; F299-W385 HydrophobicContact CZ-CD2 4.48Å; F299-W385 AromaticContact CZ-CG 3.77Å; F299-W385 HydrophobicContact CZ-CG 3.77Å; F299-Q388 HydrophobicContact CE2-CB 4.15Å; F299-Q388 HydrophobicContact CE2-CG 4.34Å; F299-Q388 HydrophobicContact CZ-CB 3.84Å; F299-Q388 HydrophobicContact CZ-CG 3.97Å; F299-I392 CarbonylContact C-O 3.55Å; F299-I392 WeakPolarHBondContact CA-O 3.39Å; F299-I392 HydrophobicContact CD1-CB 4.42Å; F299-I392 HydrophobicContact CD1-CG2 4.3Å; F299-I392 HydrophobicContact CE1-CB 4.42Å; F299-I392 HydrophobicContact CE1-CG2 4.31Å; F299-I394 HydrophobicContact CD1-CD1 4.03Å; F299-I394 HydrophobicContact CD1-CG1 3.63Å; F299-I394 HydrophobicContact CE1-CD1 4.16Å; F299-I394 HydrophobicContact CE1-CG1 4.25Å
300I98Very high93.5Very high0 Ų040.6 Ų40.60%019%0.194CC..EExtended strand (participates in β ladder)trans-78.3111.6167.6-50.8-54.6000106.8L20 F282 I298 I310 L311 V391 I392 N393 I394L20-I300 HydrophobicContact CD1-CD1 3.67Å; F282-I300 HydrophobicContact CZ-CD1 4.46Å; I298-I300 HydrophobicContact CG2-CD1 3.88Å; I300-I310 HydrophobicContact CD1-CG2 3.85Å; I300-I310 HydrophobicContact CG1-CG2 3.94Å; I300-I310 HydrophobicContact CG2-CB 4.45Å; I300-I310 HydrophobicContact CG2-CD1 3.44Å; I300-I310 VanDerWaalsContact CG2-CD1 3.44Å; I300-I310 HydrophobicContact CG2-CG2 4.33Å; I300-L311 HydrophobicContact CG1-CD2 4.5Å; I300-V391 HydrophobicContact CD1-CG1 4.33Å; I300-V391 HydrophobicContact CG1-CG1 4.02Å; I300-I392 PolarHBondContact N-O 3.37Å; I300-N393 HydrophobicContact CB-CB 4.42Å; I300-N393 WeakPolarHBondContact O-CA 3.31Å; I300-N393 PolarHBondContact O-OD1 2.96Å; I300-I394 PolarHBondContact O-N 3.37Å
301R96.7Very high93.6Very high0 Ų040.7 Ų40.70%020%0.195CC..EExtended strand (participates in β ladder)trans-104.3107.6-176.2-62.7-65-65.7-84.1-0.7108.7H13 F14 D15 F299 D396 K412 P413H13-R301 HydrophobicContact CB-CG 3.99Å; H13-R301 PolarHBondContact ND1-NH1 2.98Å; F14-R301 PolarHBondContact O-N 2.87Å; D15-R301 WeakPolarHBondContact CA-O 3.45Å; F299-R301 HydrophobicContact CB-CG 4.43Å; F299-R301 PolarHBondContact O-N 2.98Å; R301-D396 IonicContact CZ-OD1 2.85Å; R301-D396 IonicContact CZ-OD2 3.63Å; R301-D396 IonicContact NE-OD1 2.67Å; R301-D396 IonicContact NE-OD2 3.16Å; R301-D396 PolarHBondContact NE-OD2 2.83Å; R301-D396 IonicContact NH2-OD1 2.77Å; R301-D396 PolarHBondContact NH2-OD1 3.42Å; R301-D396 IonicContact NH2-OD2 2.77Å; R301-D396 PolarHBondContact NH2-OD2 3.38Å; R301-K412 HydrophobicContact CB-CD 4.25Å; R301-P413 PolarHBondContact NH1-O 3.35Å; R301-P413 PolarHBondContact NH2-O 2.88Å
302T93Very high93.6Very high6 Ų637.2 Ų37.24%0.03718%0.184CC..EExtended strand (participates in β ladder)trans-129.7148.7-178.7-175.10000111.6G304 N393 I394 T395 D396T302-G304 PolarHBondContact OG1-N 3.22Å; T302-N393 WeakPolarHBondContact CG2-OD1 3.38Å; T302-I394 PolarHBondContact N-O 2.72Å; T302-I394 VanDerWaalsContact N-O 3.14Å; T302-T395 CarbonylContact O-C 3.57Å; T302-T395 VanDerWaalsContact O-CA 3.27Å; T302-T395 WeakPolarHBondContact O-CA 3.36Å; T302-D396 PolarHBondContact O-N 2.86Å
303Y90.2Very high93.8Very high43 Ų4334.7 Ų34.717%0.16917%0.168CC..SBendtrans-86.3-12.4165.1-76-58.7000112.6D396 F398 W401 S411 K412Y303-D396 HydrophobicContact CD1-CB 3.67Å; Y303-D396 HydrophobicContact CE1-CB 3.49Å; Y303-D396 VanDerWaalsContact CE1-CB 3.49Å; Y303-F398 VanDerWaalsContact CD1-CA 3.42Å; Y303-F398 HydrophobicContact CD1-CB 3.66Å; Y303-F398 HydrophobicContact CD1-CD2 4.21Å; Y303-F398 HydrophobicContact CD1-CG 4.46Å; Y303-F398 HydrophobicContact CG-CB 4.1Å; Y303-F398 AromaticContact CG-CD2 4Å; Y303-F398 HydrophobicContact CG-CD2 4Å; Y303-W401 HydrophobicContact CD1-CE3 4.49Å; Y303-W401 AromaticContact CD2-CE3 3.78Å; Y303-W401 HydrophobicContact CD2-CE3 3.78Å; Y303-W401 AromaticContact CD2-CZ3 3.68Å; Y303-W401 HydrophobicContact CD2-CZ3 3.68Å; Y303-W401 HydrophobicContact CE1-CB 4.33Å; Y303-W401 HydrophobicContact CE1-CE3 4.09Å; Y303-W401 HydrophobicContact CE2-CD2 4.05Å; Y303-W401 AromaticContact CE2-CE3 3.32Å; Y303-W401 HydrophobicContact CE2-CE3 3.32Å; Y303-W401 HydrophobicContact CE2-CH2 4.19Å; Y303-W401 AromaticContact CE2-CZ3 3.4Å; Y303-W401 HydrophobicContact CE2-CZ3 3.4Å; Y303-W401 HydrophobicContact CG-CE3 4.34Å; Y303-W401 AromaticContact CZ-CD2 3.87Å; Y303-W401 AromaticContact CZ-CE3 3.49Å; Y303-W401 VanDerWaalsContact CZ-CE3 3.49Å; Y303-S411 VanDerWaalsContact OH-CA 3.31Å; Y303-S411 WeakPolarHBondContact OH-CA 3.34Å; Y303-K412 HydrophobicContact CE2-CG 4.13Å; Y303-K412 PolarHBondContact OH-N 2.97Å
304G84.6Confident94Very high28 Ų2826.9 Ų26.929%0.28913%0.134SC..SBendtrans-110-151.8-172.400000113.9T302T302-G304 PolarHBondContact OG1-N 3.22Å
305K85.4Confident94.2Very high150 Ų15030.1 Ų30.165%0.65215%0.15SC*.SBendtrans-109.98.9-175.4-60.4-178.4-177.5175.60112.9G307K305-G307 PolarHBondContact O-N 3.39Å
306D88.5Confident94.2Very high7 Ų724.3 Ų24.34%0.03713%0.125CC..THydrogen-bonded Turntrans-72.3-16-171-53.4-80.3000114F21 D24 E308 H309 I310F21-D306 HydrophobicContact CE1-CB 3.77Å; F21-D306 HydrophobicContact CZ-CB 3.8Å; F21-D306 WeakPolarHBondContact CZ-OD1 3.39Å; D24-D306 WeakPolarHBondContact CB-OD1 3.32Å; D306-E308 PolarHBondContact O-N 3.17Å; D306-H309 PolarHBondContact O-N 2.92Å; D306-I310 HydrophobicContact CB-CD1 4.42Å; D306-I310 WeakPolarHBondContact O-CG1 3.28Å; D306-I310 PolarHBondContact O-N 2.87Å; D306-I310 VanDerWaalsContact O-N 3.09Å
307G92.1Very high94.1Very high0 Ų024.1 Ų24.10%012%0.124CC..Hα-helixtrans-53-49.1-17500000113.8K305 H309 I310 L311 N393K305-G307 PolarHBondContact O-N 3.39Å; G307-H309 VanDerWaalsContact C-N 3.32Å; G307-H309 PolarHBondContact O-N 3.43Å; G307-I310 PolarHBondContact O-N 3.04Å; G307-L311 WeakPolarHBondContact O-CG 3.48Å; G307-L311 PolarHBondContact O-N 3.36Å; G307-N393 WeakPolarHBondContact CA-OD1 3.48Å
308E91.1Very high94Very high87 Ų8725.2 Ų25.241%0.40713%0.129SC..Hα-helixtrans-61.6-39.1-178.1-66.8-179-17000112.7D306 L311 S312 K341D306-E308 PolarHBondContact O-N 3.17Å; E308-L311 PolarHBondContact O-N 3.06Å; E308-S312 WeakPolarHBondContact O-CB 3.48Å; E308-S312 PolarHBondContact O-N 3.01Å; E308-S312 PolarHBondContact O-OG 3.44Å; E308-K341 WeakPolarHBondContact OE1-CE 3.46Å; E308-K341 IonicContact OE1-NZ 3.92Å; E308-K341 PolarHBondContact OE1-NZ 3.17Å
309H93.1Very high93.8Very high46 Ų4629.9 Ų29.921%0.21315%0.151CC..Hα-helixtrans-68.4-39.6177.4-62.8-48.9000111.7K25 Y277 D306 G307 S312 A313K25-H309 HydrophobicContact CG-CB 3.97Å; Y277-H309 HydrophobicContact CE1-CB 4.13Å; D306-H309 PolarHBondContact O-N 2.92Å; G307-H309 VanDerWaalsContact C-N 3.32Å; G307-H309 PolarHBondContact O-N 3.43Å; H309-S312 PolarHBondContact O-N 3.32Å; H309-A313 WeakPolarHBondContact O-CB 3.25Å; H309-A313 PolarHBondContact O-N 3.5Å
310I95.7Very high93.5Very high0 Ų031.7 Ų31.70%017%0.17CC..Hα-helixtrans-61.6-48.3173.5-65167.6000110A16 L20 F21 Y277 L278 I300 D306 G307 S312 A313 I314A16-I310 HydrophobicContact CB-CD1 3.87Å; L20-I310 HydrophobicContact CD1-CD1 4.26Å; L20-I310 HydrophobicContact CD1-CG2 4.36Å; F21-I310 HydrophobicContact CD1-CD1 4.15Å; F21-I310 HydrophobicContact CD1-CG1 4.24Å; F21-I310 HydrophobicContact CE1-CD1 3.89Å; F21-I310 HydrophobicContact CE1-CG1 4.22Å; Y277-I310 HydrophobicContact CE1-CG1 4.47Å; L278-I310 HydrophobicContact CD1-CG2 4.04Å; L278-I310 HydrophobicContact CD2-CG1 3.99Å; L278-I310 HydrophobicContact CD2-CG2 4.45Å; I300-I310 HydrophobicContact CD1-CG2 3.85Å; I300-I310 HydrophobicContact CG1-CG2 3.94Å; I300-I310 HydrophobicContact CG2-CB 4.45Å; I300-I310 HydrophobicContact CG2-CD1 3.44Å; I300-I310 VanDerWaalsContact CG2-CD1 3.44Å; I300-I310 HydrophobicContact CG2-CG2 4.33Å; D306-I310 HydrophobicContact CB-CD1 4.42Å; D306-I310 WeakPolarHBondContact O-CG1 3.28Å; D306-I310 PolarHBondContact O-N 2.87Å; D306-I310 VanDerWaalsContact O-N 3.09Å; G307-I310 PolarHBondContact O-N 3.04Å; I310-S312 VanDerWaalsContact C-N 3.33Å; I310-S312 PolarHBondContact O-N 3.26Å; I310-A313 WeakPolarHBondContact O-CB 3.29Å; I310-A313 PolarHBondContact O-N 3.09Å; I310-A313 VanDerWaalsContact O-N 3.17Å; I310-I314 HydrophobicContact CG2-CD1 3.93Å; I310-I314 WeakPolarHBondContact O-CG1 3.47Å; I310-I314 PolarHBondContact O-N 3.11Å
311L96.6Very high93.2Very high4 Ų437.5 Ų37.52%0.02120%0.195CC..Hα-helixtrans-59.6-43.3178.1-64.8-175.4000111.6I300 G307 E308 A313 I314 E315 I337 Y339 V391 N393I300-L311 HydrophobicContact CG1-CD2 4.5Å; G307-L311 WeakPolarHBondContact O-CG 3.48Å; G307-L311 PolarHBondContact O-N 3.36Å; E308-L311 PolarHBondContact O-N 3.06Å; L311-A313 VanDerWaalsContact C-N 3.31Å; L311-A313 PolarHBondContact O-N 3.11Å; L311-I314 PolarHBondContact O-N 3.17Å; L311-E315 PolarHBondContact O-N 2.78Å; L311-I337 HydrophobicContact CB-CG2 4.06Å; L311-I337 HydrophobicContact CD1-CG2 4.21Å; L311-I337 HydrophobicContact CD2-CG2 4.13Å; L311-I337 HydrophobicContact CG-CG2 4.34Å; L311-Y339 HydrophobicContact CB-CD1 4.16Å; L311-Y339 HydrophobicContact CB-CE1 3.59Å; L311-Y339 HydrophobicContact CD1-CD1 3.86Å; L311-Y339 HydrophobicContact CD1-CE1 4.18Å; L311-V391 HydrophobicContact CD2-CB 4.24Å; L311-V391 HydrophobicContact CD2-CG1 3.62Å; L311-N393 HydrophobicContact CD1-CB 4.15Å
312S95.4Very high92.9Very high42 Ų4237.6 Ų37.629%0.29420%0.195SC..Hα-helixtrans-61.8-37.3176.3-59.40000112.8E308 H309 I310 E315 A316E308-S312 WeakPolarHBondContact O-CB 3.48Å; E308-S312 PolarHBondContact O-N 3.01Å; E308-S312 PolarHBondContact O-OG 3.44Å; H309-S312 PolarHBondContact O-N 3.32Å; I310-S312 VanDerWaalsContact C-N 3.33Å; I310-S312 PolarHBondContact O-N 3.26Å; S312-E315 PolarHBondContact O-N 2.85Å; S312-A316 PolarHBondContact O-N 3.28Å
313A96.3Very high92.6Very high0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-68.3-41.8175.800000111.6L225 Y277 L278 H309 I310 L311 E315 A316 Y317L225-A313 HydrophobicContact CD2-CB 3.98Å; L225-A313 WeakPolarHBondContact CD2-O 3.31Å; Y277-A313 HydrophobicContact CD1-CB 3.97Å; Y277-A313 HydrophobicContact CE1-CB 4.25Å; L278-A313 HydrophobicContact CD1-CB 3.82Å; L278-A313 HydrophobicContact CG-CB 4.08Å; H309-A313 WeakPolarHBondContact O-CB 3.25Å; H309-A313 PolarHBondContact O-N 3.5Å; I310-A313 WeakPolarHBondContact O-CB 3.29Å; I310-A313 PolarHBondContact O-N 3.09Å; I310-A313 VanDerWaalsContact O-N 3.17Å; L311-A313 VanDerWaalsContact C-N 3.31Å; L311-A313 PolarHBondContact O-N 3.11Å; A313-E315 VanDerWaalsContact C-N 3.35Å; A313-A316 PolarHBondContact O-N 3.16Å; A313-Y317 PolarHBondContact O-N 3.14Å
314I96.9Very high92.5Very high0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-62.6-42.9174-64.5168.2000110.5L278 F282 L286 I310 L311 A316 Y317 I318 L335 I337 V391L278-I314 HydrophobicContact CD1-CG1 4.32Å; F282-I314 HydrophobicContact CE1-CD1 3.84Å; F282-I314 HydrophobicContact CE1-CG1 4Å; F282-I314 HydrophobicContact CZ-CD1 4.16Å; L286-I314 HydrophobicContact CD1-CG1 4.42Å; L286-I314 HydrophobicContact CD1-CG2 4.25Å; I310-I314 HydrophobicContact CG2-CD1 3.93Å; I310-I314 WeakPolarHBondContact O-CG1 3.47Å; I310-I314 PolarHBondContact O-N 3.11Å; L311-I314 PolarHBondContact O-N 3.17Å; I314-A316 VanDerWaalsContact C-N 3.34Å; I314-A316 PolarHBondContact O-N 3.34Å; I314-Y317 WeakPolarHBondContact O-CB 3.36Å; I314-Y317 PolarHBondContact O-N 2.97Å; I314-I318 HydrophobicContact CG2-CD1 4.15Å; I314-I318 HydrophobicContact CG2-CG1 4.46Å; I314-I318 WeakPolarHBondContact O-CG1 3.23Å; I314-I318 PolarHBondContact O-N 2.99Å; I314-L335 HydrophobicContact CG2-CD2 3.62Å; I314-L335 HydrophobicContact CG2-CG 4.35Å; I314-I337 HydrophobicContact CB-CD1 4.42Å; I314-I337 HydrophobicContact CG2-CD1 4.11Å; I314-V391 HydrophobicContact CD1-CG1 3.82Å; I314-V391 HydrophobicContact CD1-CG2 4.33Å; I314-V391 HydrophobicContact CG2-CG2 4.38Å
315E96.6Very high92.8Very high79 Ų7938.8 Ų38.837%0.36920%0.198SC..Hα-helixtrans-59.7-44.5176.3-174166.1-14400111.7L311 S312 A313 Y317 I318 H319 I337 Y339L311-E315 PolarHBondContact O-N 2.78Å; S312-E315 PolarHBondContact O-N 2.85Å; A313-E315 VanDerWaalsContact C-N 3.35Å; E315-Y317 VanDerWaalsContact C-N 3.32Å; E315-Y317 PolarHBondContact O-N 2.85Å; E315-I318 PolarHBondContact O-N 3.01Å; E315-H319 PolarHBondContact O-N 3.19Å; E315-H319 VanDerWaalsContact O-N 3.11Å; E315-H319 PolarHBondContact O-ND1 3.44Å; E315-H319 IonicContact OE1-CE1 3.83Å; E315-I337 HydrophobicContact CB-CD1 3.52Å; E315-I337 HydrophobicContact CG-CD1 4.22Å; E315-Y339 PolarHBondContact OE2-OH 2.82Å
316A95.6Very high93.1Very high12 Ų1237.4 Ų37.410%0.09919%0.192CC..Hα-helixtrans-62.4-39.5176.200000112.1P222 C224 L225 S312 A313 I314 H319 G320 K321P222-A316 HydrophobicContact CG-CB 4.13Å; C224-A316 WeakPolarHBondContact SG-CB 3.37Å; L225-A316 HydrophobicContact CD1-CB 4.16Å; L225-A316 HydrophobicContact CD2-CB 4.08Å; L225-A316 HydrophobicContact CG-CB 4.07Å; S312-A316 PolarHBondContact O-N 3.28Å; A313-A316 PolarHBondContact O-N 3.16Å; I314-A316 VanDerWaalsContact C-N 3.34Å; I314-A316 PolarHBondContact O-N 3.34Å; A316-H319 CarbonylContact O-C 3.44Å; A316-H319 PolarHBondContact O-N 3.09Å; A316-G320 PolarHBondContact O-N 2.97Å; A316-K321 HydrophobicContact CB-CB 4.24Å; A316-K321 VanDerWaalsContact O-CB 3.23Å; A316-K321 WeakPolarHBondContact O-CB 3.42Å; A316-K321 WeakPolarHBondContact O-CG 3.32Å; A316-K321 PolarHBondContact O-N 3.31Å
317Y95.8Very high93.3Very high0 Ų038 Ų380%020%0.198CC..Hα-helixtrans-60.6-47.4172.7160.3-96.9000112.2Y283 L286 T287 A313 I314 E315 H319 G320 H322 E325 A327Y283-Y317 HydrophobicContact CD1-CD1 4.13Å; Y283-Y317 AromaticContact CD1-CD2 3.59Å; Y283-Y317 HydrophobicContact CD1-CD2 3.59Å; Y283-Y317 HydrophobicContact CD1-CE2 4.25Å; Y283-Y317 AromaticContact CD1-CG 3.52Å; Y283-Y317 HydrophobicContact CD1-CG 3.52Å; Y283-Y317 HydrophobicContact CE1-CD2 4.32Å; Y283-Y317 AromaticContact CE1-CG 3.95Å; Y283-Y317 HydrophobicContact CE1-CG 3.95Å; Y283-Y317 HydrophobicContact CG-CD2 4.18Å; L286-Y317 HydrophobicContact CB-CE1 3.89Å; L286-Y317 HydrophobicContact CD1-CD1 3.98Å; L286-Y317 HydrophobicContact CD1-CE1 3.92Å; T287-Y317 WeakPolarHBondContact CA-OH 2.98Å; T287-Y317 PolarHBondContact N-OH 3.14Å; T287-Y317 PolarHBondContact OG1-OH 3.25Å; A313-Y317 PolarHBondContact O-N 3.14Å; I314-Y317 WeakPolarHBondContact O-CB 3.36Å; I314-Y317 PolarHBondContact O-N 2.97Å; E315-Y317 VanDerWaalsContact C-N 3.32Å; E315-Y317 PolarHBondContact O-N 2.85Å; Y317-H319 PolarHBondContact O-N 2.88Å; Y317-G320 WeakPolarHBondContact O-CA 3.46Å; Y317-G320 PolarHBondContact O-N 3.18Å; Y317-H322 HydrophobicContact CD2-CB 4Å; Y317-E325 HydrophobicContact CD2-CB 4.39Å; Y317-E325 HydrophobicContact CE2-CB 3.99Å; Y317-A327 HydrophobicContact CD1-CB 4.21Å; Y317-A327 HydrophobicContact CD2-CB 4.3Å; Y317-A327 HydrophobicContact CE1-CB 3.8Å; Y317-A327 HydrophobicContact CE2-CB 3.92Å; Y317-A327 HydrophobicContact CG-CB 4.44Å; Y317-A327 WeakPolarHBondContact O-CB 3.23Å; Y317-A327 WeakPolarHBondContact OH-CA 3.44Å
318I95.7Very high93.5Very high23 Ų2339.1 Ų39.112%0.11821%0.205CC..Hα-helixtrans-55.9-36176.8-68.2169.6000111.1I314 E315 G320 A331 K332 L335 I337I314-I318 HydrophobicContact CG2-CD1 4.15Å; I314-I318 HydrophobicContact CG2-CG1 4.46Å; I314-I318 WeakPolarHBondContact O-CG1 3.23Å; I314-I318 PolarHBondContact O-N 2.99Å; E315-I318 PolarHBondContact O-N 3.01Å; I318-G320 PolarHBondContact O-N 3.18Å; I318-A331 HydrophobicContact CG2-CB 4.3Å; I318-K332 HydrophobicContact CG2-CB 3.82Å; I318-K332 HydrophobicContact CG2-CG 4.47Å; I318-L335 HydrophobicContact CD1-CB 4.01Å; I318-L335 HydrophobicContact CD1-CD2 3.85Å; I318-L335 HydrophobicContact CD1-CG 4.03Å; I318-L335 WeakPolarHBondContact CD1-O 3.32Å; I318-L335 HydrophobicContact CG1-CB 4.49Å; I318-L335 HydrophobicContact CG1-CD2 3.92Å; I318-I337 HydrophobicContact CD1-CD1 3.79Å; I318-I337 HydrophobicContact CD1-CG1 4.1Å
319H93.4Very high93.5Very high99 Ų9943.8 Ų43.846%0.45823%0.231SC..THydrogen-bonded Turntrans-83.214.6176.8-66.399.6000114.1E315 A316 Y317 K321E315-H319 PolarHBondContact O-N 3.19Å; E315-H319 VanDerWaalsContact O-N 3.11Å; E315-H319 PolarHBondContact O-ND1 3.44Å; E315-H319 IonicContact OE1-CE1 3.83Å; A316-H319 CarbonylContact O-C 3.44Å; A316-H319 PolarHBondContact O-N 3.09Å; Y317-H319 PolarHBondContact O-N 2.88Å; H319-K321 VanDerWaalsContact C-N 3.27Å; H319-K321 HydrophobicContact CB-CG 4.32Å; H319-K321 PolarHBondContact O-N 2.76Å
320G92Very high93.5Very high39 Ų3944.5 Ų44.540%0.40224%0.236SC..THydrogen-bonded Turntrans70.718.8174.800000114.4A316 Y317 I318A316-G320 PolarHBondContact O-N 2.97Å; Y317-G320 WeakPolarHBondContact O-CA 3.46Å; Y317-G320 PolarHBondContact O-N 3.18Å; I318-G320 PolarHBondContact O-N 3.18Å
321K92.2Very high93.4Very high122 Ų12244.5 Ų44.553%0.5324%0.236SC..  trans-84.2-12-177-55.7-59-175.4179.30114P222 L225 A316 H319P222-K321 HydrophobicContact CG-CB 3.86Å; L225-K321 HydrophobicContact CD1-CB 4.21Å; A316-K321 HydrophobicContact CB-CB 4.24Å; A316-K321 VanDerWaalsContact O-CB 3.23Å; A316-K321 WeakPolarHBondContact O-CB 3.42Å; A316-K321 WeakPolarHBondContact O-CG 3.32Å; A316-K321 PolarHBondContact O-N 3.31Å; H319-K321 VanDerWaalsContact C-N 3.27Å; H319-K321 HydrophobicContact CB-CG 4.32Å; H319-K321 PolarHBondContact O-N 2.76Å
322H91.3Very high93.3Very high2 Ų251.7 Ų51.71%0.00927%0.268CS..  trans-71.5133.9175.7-166.6-67.5000110.7L225 H276 Y283 Y317 Q324 E325 K326L225-H322 HydrophobicContact CD1-CB 4.07Å; H276-H322 AromaticContact CE1-CE1 3.82Å; H276-H322 AromaticContact CE1-NE2 4Å; H276-H322 AromaticContact ND1-NE2 3.74Å; Y283-H322 AromaticContact CD2-CD2 3.47Å; Y283-H322 VanDerWaalsContact CD2-CD2 3.47Å; Y283-H322 WeakPolarHBondContact CD2-CD2 3.12Å; Y283-H322 AromaticContact CD2-NE2 3.31Å; Y283-H322 VanDerWaalsContact CD2-NE2 3.31Å; Y283-H322 WeakPolarHBondContact CD2-NE2 3.26Å; Y283-H322 AromaticContact CE2-CD2 3.28Å; Y283-H322 WeakPolarHBondContact CE2-CD2 3.35Å; Y283-H322 AromaticContact CE2-NE2 3.29Å; Y283-H322 VanDerWaalsContact CE2-NE2 3.29Å; Y283-H322 WeakPolarHBondContact CE2-NE2 3.36Å; Y283-H322 AromaticContact CG-CD2 3.93Å; Y283-H322 AromaticContact CZ-CD2 3.61Å; Y317-H322 HydrophobicContact CD2-CB 4Å; H322-Q324 PolarHBondContact ND1-N 3.32Å; H322-Q324 VanDerWaalsContact ND1-N 3.17Å; H322-E325 WeakPolarHBondContact CB-O 3.3Å; H322-E325 PolarHBondContact ND1-N 2.89Å; H322-E325 VanDerWaalsContact ND1-N 3.11Å; H322-K326 PolarHBondContact O-NZ 3.05Å
323S86.8Confident93.1Very high29 Ų2957 Ų5720%0.20329%0.287CS..SBendtrans-65.6-52.9-174.449.10000112.5K326S323-K326 WeakPolarHBondContact O-CE 3.22Å; S323-K326 PolarHBondContact O-NZ 3.06Å
324Q87.9Confident93Very high60 Ų6059.7 Ų59.728%0.2830%0.3SS..SBendtrans-93.9-44.1-171.2-61.8173.1-10.900115.1E217 H276 H322 R504E217-Q324 WeakPolarHBondContact OE1-CG 2.96Å; E217-Q324 PolarHBondContact OE1-NE2 3.23Å; E217-Q324 VanDerWaalsContact OE1-NE2 3.14Å; H276-Q324 VanDerWaalsContact CE1-CD 3.49Å; H276-Q324 PolarHBondContact CE1-OE1 3.27Å; H276-Q324 PolarHBondContact NE2-NE2 2.87Å; H276-Q324 PolarHBondContact NE2-OE1 3.36Å; H276-Q324 VanDerWaalsContact NE2-OE1 3.09Å; H322-Q324 PolarHBondContact ND1-N 3.32Å; H322-Q324 VanDerWaalsContact ND1-N 3.17Å; Q324-R504 PolarHBondContact O-NH2 2.87Å; Q324-R504 VanDerWaalsContact O-NH2 3.15Å
325E90.3Very high92.9Very high13 Ų1359.8 Ų59.86%0.06130%0.3CS..  trans-90136.3174.1-77.3-68.1156.100110.7R284 T287 Y317 H322 R504R284-E325 WeakPolarHBondContact CB-OE1 3.41Å; T287-E325 PolarHBondContact OG1-OE2 3.41Å; Y317-E325 HydrophobicContact CD2-CB 4.39Å; Y317-E325 HydrophobicContact CE2-CB 3.99Å; H322-E325 WeakPolarHBondContact CB-O 3.3Å; H322-E325 PolarHBondContact ND1-N 2.89Å; H322-E325 VanDerWaalsContact ND1-N 3.11Å; E325-R504 VanDerWaalsContact CG-NH2 3.35Å; E325-R504 IonicContact OE1-CZ 2.64Å; E325-R504 IonicContact OE1-NE 2.78Å; E325-R504 PolarHBondContact OE1-NE 2.9Å; E325-R504 IonicContact OE1-NH2 2.68Å; E325-R504 PolarHBondContact OE1-NH2 3.35Å
326K91.2Very high92.8Very high122 Ų12258.8 Ų58.853%0.5330%0.3SS..  trans-112.7119177.5-60.2-58.7173.4-160.90109H322 S323H322-K326 PolarHBondContact O-NZ 3.05Å; S323-K326 WeakPolarHBondContact O-CE 3.22Å; S323-K326 PolarHBondContact O-NZ 3.06Å
327A93.7Very high92.9Very high20 Ų2059.8 Ų59.817%0.16530%0.304CS..  trans-61135.117300000110.2Y317 A331Y317-A327 HydrophobicContact CD1-CB 4.21Å; Y317-A327 HydrophobicContact CD2-CB 4.3Å; Y317-A327 HydrophobicContact CE1-CB 3.8Å; Y317-A327 HydrophobicContact CE2-CB 3.92Å; Y317-A327 HydrophobicContact CG-CB 4.44Å; Y317-A327 WeakPolarHBondContact O-CB 3.23Å; Y317-A327 WeakPolarHBondContact OH-CA 3.44Å; A327-A331 HydrophobicContact CB-CB 3.83Å
328P95Very high92.9Very high22 Ų2261.6 Ų61.614%0.14331%0.313CS..  trans-55150.2169.6-28.437.7000111.5T287 I290 E291 N330 A331T287-P328 HydrophobicContact CG2-CG 4.14Å; I290-P328 HydrophobicContact CB-CG 4.07Å; I290-P328 HydrophobicContact CG2-CB 3.77Å; I290-P328 HydrophobicContact CG2-CG 3.82Å; E291-P328 HydrophobicContact CG-CG 3.96Å; P328-N330 VanDerWaalsContact CB-OD1 3.22Å; P328-N330 WeakPolarHBondContact CB-OD1 3.45Å; P328-N330 PolarHBondContact O-N 2.59Å; P328-A331 WeakPolarHBondContact O-CB 3.21Å; P328-A331 PolarHBondContact O-N 2.93Å
329I92.6Very high92.8Very high186 Ų18665.2 Ų65.295%0.95433%0.326SS*.THydrogen-bonded Turntrans-56.1-30.4-175.6-64168.9000112.3
330N92.4Very high92.7Very high60 Ų6062 Ų6232%0.32131%0.314SS..THydrogen-bonded Turntrans-89.65.4178.660.5-22.2000114.1I290 P328 K332 Q333 F334I290-N330 WeakPolarHBondContact CG2-OD1 3.41Å; P328-N330 VanDerWaalsContact CB-OD1 3.22Å; P328-N330 WeakPolarHBondContact CB-OD1 3.45Å; P328-N330 PolarHBondContact O-N 2.59Å; N330-K332 VanDerWaalsContact C-N 3.26Å; N330-K332 PolarHBondContact O-N 2.99Å; N330-K332 VanDerWaalsContact O-N 3.14Å; N330-Q333 WeakPolarHBondContact O-CB 3.24Å; N330-Q333 PolarHBondContact O-N 3.03Å; N330-F334 HydrophobicContact CB-CD2 4.03Å; N330-F334 HydrophobicContact CB-CE2 4.02Å; N330-F334 WeakPolarHBondContact ND2-CD2 3.48Å; N330-F334 WeakPolarHBondContact ND2-CE2 3.5Å; N330-F334 WeakPolarHBondContact O-CD2 3.21Å; N330-F334 PolarHBondContact O-N 3.29Å
331A94.6Very high92.7Very high1 Ų163.1 Ų63.11%0.00831%0.307CS..Hα-helixtrans-53.2-40.8-17300000113.5I290 I318 A327 P328 Q333 F334 L335I290-A331 HydrophobicContact CD1-CB 3.81Å; I318-A331 HydrophobicContact CG2-CB 4.3Å; A327-A331 HydrophobicContact CB-CB 3.83Å; P328-A331 WeakPolarHBondContact O-CB 3.21Å; P328-A331 PolarHBondContact O-N 2.93Å; A331-Q333 PolarHBondContact O-N 2.9Å; A331-F334 PolarHBondContact O-N 2.88Å; A331-F334 VanDerWaalsContact O-N 3.13Å; A331-L335 WeakPolarHBondContact O-CB 3.25Å; A331-L335 PolarHBondContact O-N 2.97Å
332K92.9Very high92.9Very high155 Ų15558.5 Ų58.567%0.67429%0.287SS*.Hα-helixtrans-58.7-29.6177.9-173.5172.1-178.4169.80113.7I318 N330I318-K332 HydrophobicContact CG2-CB 3.82Å; I318-K332 HydrophobicContact CG2-CG 4.47Å; N330-K332 VanDerWaalsContact C-N 3.26Å; N330-K332 PolarHBondContact O-N 2.99Å; N330-K332 VanDerWaalsContact O-N 3.14Å
333Q92.8Very high93.2Very high152 Ų15260.6 Ų60.671%0.7130%0.295SS*.Hα-helixtrans-79.3-36.6178.1-177.2-177.45.900112.1N330 A331N330-Q333 WeakPolarHBondContact O-CB 3.24Å; N330-Q333 PolarHBondContact O-N 3.03Å; A331-Q333 PolarHBondContact O-N 2.9Å
334F92.6Very high93.7Very high58 Ų5859.2 Ų59.225%0.25429%0.285SS..Hα-helixtrans-90.5-19.1-174.6-75.5-94.5000113.2I290 N330 A331 P336I290-F334 HydrophobicContact CG1-CB 3.98Å; I290-F334 HydrophobicContact CG2-CB 4.23Å; I290-F334 HydrophobicContact CG2-CD2 4.33Å; I290-F334 HydrophobicContact CG2-CG 4.27Å; N330-F334 HydrophobicContact CB-CD2 4.03Å; N330-F334 HydrophobicContact CB-CE2 4.02Å; N330-F334 WeakPolarHBondContact ND2-CD2 3.48Å; N330-F334 WeakPolarHBondContact ND2-CE2 3.5Å; N330-F334 WeakPolarHBondContact O-CD2 3.21Å; N330-F334 PolarHBondContact O-N 3.29Å; A331-F334 PolarHBondContact O-N 2.88Å; A331-F334 VanDerWaalsContact O-N 3.13Å; F334-P336 WeakPolarHBondContact O-CD 3.43Å
335L94.9Very high94.2Very high1 Ų159.6 Ų59.61%0.00529%0.286CS..  trans-125.660.4-175.5-16167.5000111.3L286 F296 I314 I318 A331 I337 V391L286-L335 HydrophobicContact CD1-CD2 4.01Å; L286-L335 HydrophobicContact CD2-CD1 4.24Å; L286-L335 HydrophobicContact CD2-CD2 4.16Å; L286-L335 HydrophobicContact CG-CD2 4.48Å; F296-L335 HydrophobicContact CE2-CD1 3.46Å; F296-L335 VanDerWaalsContact CE2-CD1 3.46Å; F296-L335 HydrophobicContact CZ-CD1 3.75Å; I314-L335 HydrophobicContact CG2-CD2 3.62Å; I314-L335 HydrophobicContact CG2-CG 4.35Å; I318-L335 HydrophobicContact CD1-CB 4.01Å; I318-L335 HydrophobicContact CD1-CD2 3.85Å; I318-L335 HydrophobicContact CD1-CG 4.03Å; I318-L335 WeakPolarHBondContact CD1-O 3.32Å; I318-L335 HydrophobicContact CG1-CB 4.49Å; I318-L335 HydrophobicContact CG1-CD2 3.92Å; A331-L335 WeakPolarHBondContact O-CB 3.25Å; A331-L335 PolarHBondContact O-N 2.97Å; L335-I337 PolarHBondContact O-N 2.83Å; L335-V391 HydrophobicContact CD1-CG2 3.32Å; L335-V391 HydrophobicContact CD2-CG2 4.38Å; L335-V391 HydrophobicContact CG-CG2 3.76Å
336P95.7Very high94.4Very high58 Ų5860 Ų6038%0.37729%0.287SS..  trans-60.7138.2171.826.5-32.3000109.8F334 I389 G390 V391F334-P336 WeakPolarHBondContact O-CD 3.43Å; P336-I389 HydrophobicContact CG-CG2 4.23Å; P336-G390 CarbonylContact O-C 3.56Å; P336-G390 VanDerWaalsContact O-CA 3.22Å; P336-G390 WeakPolarHBondContact O-CA 3.39Å; P336-V391 PolarHBondContact O-N 2.94Å
337I96.9Very high94.6Very high34 Ų3455.8 Ų55.817%0.17427%0.273CS..EExtended strand (participates in β ladder)trans-102.4122.2178.4-62174.7000107.9L311 I314 E315 I318 L335 Y339L311-I337 HydrophobicContact CB-CG2 4.06Å; L311-I337 HydrophobicContact CD1-CG2 4.21Å; L311-I337 HydrophobicContact CD2-CG2 4.13Å; L311-I337 HydrophobicContact CG-CG2 4.34Å; I314-I337 HydrophobicContact CB-CD1 4.42Å; I314-I337 HydrophobicContact CG2-CD1 4.11Å; E315-I337 HydrophobicContact CB-CD1 3.52Å; E315-I337 HydrophobicContact CG-CD1 4.22Å; I318-I337 HydrophobicContact CD1-CD1 3.79Å; I318-I337 HydrophobicContact CD1-CG1 4.1Å; L335-I337 PolarHBondContact O-N 2.83Å; I337-Y339 HydrophobicContact CB-CE2 4.16Å; I337-Y339 HydrophobicContact CG2-CD1 4.31Å; I337-Y339 HydrophobicContact CG2-CD2 3.78Å; I337-Y339 HydrophobicContact CG2-CE1 4.07Å; I337-Y339 HydrophobicContact CG2-CE2 3.53Å; I337-Y339 HydrophobicContact CG2-CG 4.18Å
338D95Very high94.5Very high37 Ų3760.1 Ų60.120%0.19829%0.289CS..EExtended strand (participates in β ladder)trans-99.1107.1171169.925.5000109.2T340 W342 V391 I392D338-T340 PolarHBondContact O-N 2.87Å; D338-T340 WeakPolarHBondContact OD1-CB 3.27Å; D338-T340 PolarHBondContact OD1-N 2.85Å; D338-T340 PolarHBondContact OD1-OG1 3.39Å; D338-W342 PolarHBondContact OD2-NE1 3.08Å; D338-V391 PolarHBondContact N-O 3.34Å; D338-I392 HydrophobicContact CB-CD1 4.21Å; D338-I392 HydrophobicContact CB-CG1 3.69Å; D338-I392 WeakPolarHBondContact OD2-CD1 3.38Å
339Y93.9Very high94.3Very high99 Ų9966 Ų6639%0.38832%0.315SS..EExtended strand (participates in β ladder)trans-81.10.8178.4-77.9-72.6000113.6L311 E315 I337 K341L311-Y339 HydrophobicContact CB-CD1 4.16Å; L311-Y339 HydrophobicContact CB-CE1 3.59Å; L311-Y339 HydrophobicContact CD1-CD1 3.86Å; L311-Y339 HydrophobicContact CD1-CE1 4.18Å; E315-Y339 PolarHBondContact OE2-OH 2.82Å; I337-Y339 HydrophobicContact CB-CE2 4.16Å; I337-Y339 HydrophobicContact CG2-CD1 4.31Å; I337-Y339 HydrophobicContact CG2-CD2 3.78Å; I337-Y339 HydrophobicContact CG2-CE1 4.07Å; I337-Y339 HydrophobicContact CG2-CE2 3.53Å; I337-Y339 HydrophobicContact CG2-CG 4.18Å; Y339-K341 PolarHBondContact O-N 2.91Å
340T92.5Very high94.2Very high33 Ų3363.4 Ų63.420%0.20230%0.298CS..EExtended strand (participates in β ladder)trans-56.7134.9171.2-59.80000110.1D338 W342 K357D338-T340 PolarHBondContact O-N 2.87Å; D338-T340 WeakPolarHBondContact OD1-CB 3.27Å; D338-T340 PolarHBondContact OD1-N 2.85Å; D338-T340 PolarHBondContact OD1-OG1 3.39Å; T340-W342 HydrophobicContact CG2-CD2 4.34Å; T340-W342 HydrophobicContact CG2-CG 4.26Å; T340-W342 HydrophobicContact CG2-CZ2 4.45Å; T340-W342 VanDerWaalsContact O-CD1 3.23Å; T340-W342 PolarHBondContact O-N 2.95Å; T340-K357 HydrophobicContact CG2-CD 3.75Å; T340-K357 HydrophobicContact CG2-CG 3.32Å
341K92.3Very high94.1Very high61 Ų6162.4 Ų62.427%0.26530%0.296SS..EExtended strand (participates in β ladder)trans-79.7115169.1-65.8175.2-179.8-172.30110.3E308 Y339 Y343 E358E308-K341 WeakPolarHBondContact OE1-CE 3.46Å; E308-K341 IonicContact OE1-NZ 3.92Å; E308-K341 PolarHBondContact OE1-NZ 3.17Å; Y339-K341 PolarHBondContact O-N 2.91Å; K341-Y343 HydrophobicContact CB-CE2 3.93Å; K341-E358 HydrophobicContact CB-CB 3.78Å; K341-E358 WeakPolarHBondContact CB-OE2 3.34Å; K341-E358 WeakPolarHBondContact CD-OE2 3.19Å; K341-E358 PolarHBondContact O-N 3.42Å
342W96.5Very high94.1Very high26 Ų2664.8 Ų64.810%0.09831%0.307CS..EExtended strand (participates in β ladder)trans-108.5146.9174.9-66.389.6000110.3D338 T340 L355 L356 K357 I374 I392 I394 T395D338-W342 PolarHBondContact OD2-NE1 3.08Å; T340-W342 HydrophobicContact CG2-CD2 4.34Å; T340-W342 HydrophobicContact CG2-CG 4.26Å; T340-W342 HydrophobicContact CG2-CZ2 4.45Å; T340-W342 VanDerWaalsContact O-CD1 3.23Å; T340-W342 PolarHBondContact O-N 2.95Å; W342-L355 HydrophobicContact CE3-CD1 3.97Å; W342-L355 HydrophobicContact CE3-CD2 4.3Å; W342-L355 HydrophobicContact CE3-CG 4.04Å; W342-L355 HydrophobicContact CZ3-CD2 4.02Å; W342-L355 HydrophobicContact CZ3-CG 4.11Å; W342-L356 WeakPolarHBondContact CA-O 3.41Å; W342-K357 HydrophobicContact CD2-CB 4.42Å; W342-K357 HydrophobicContact CD2-CG 4.35Å; W342-K357 HydrophobicContact CE3-CB 4.02Å; W342-K357 HydrophobicContact CE3-CG 4.4Å; W342-K357 HydrophobicContact CH2-CB 4.37Å; W342-K357 HydrophobicContact CH2-CD 3.96Å; W342-K357 HydrophobicContact CH2-CG 4.36Å; W342-K357 HydrophobicContact CZ2-CD 3.89Å; W342-K357 HydrophobicContact CZ2-CG 4.28Å; W342-K357 HydrophobicContact CZ3-CB 4.04Å; W342-K357 HydrophobicContact CZ3-CD 4.48Å; W342-K357 HydrophobicContact CZ3-CG 4.44Å; W342-I374 HydrophobicContact CH2-CG1 4.28Å; W342-I374 HydrophobicContact CZ3-CB 4.23Å; W342-I374 HydrophobicContact CZ3-CG1 3.71Å; W342-I374 HydrophobicContact CZ3-CG2 4.2Å; W342-I392 HydrophobicContact CG-CG2 4.32Å; W342-I394 HydrophobicContact CB-CD1 3.31Å; W342-I394 HydrophobicContact CB-CG1 4.5Å; W342-I394 HydrophobicContact CG-CD1 3.83Å; W342-T395 PolarHBondContact O-N 2.98Å
343Y97Very high94.3Very high46 Ų4657.4 Ų57.418%0.1828%0.275CS..EExtended strand (participates in β ladder)trans-131.6139.5178.9-53.6-94.9000110.1K341 L356 E358 L371 T395K341-Y343 HydrophobicContact CB-CE2 3.93Å; Y343-L356 PolarHBondContact N-O 3.15Å; Y343-L356 PolarHBondContact O-N 3.23Å; Y343-E358 HydrophobicContact CE2-CB 4.17Å; Y343-E358 PolarHBondContact OH-OE2 3.33Å; Y343-L371 HydrophobicContact CD2-CD2 3.73Å; Y343-L371 HydrophobicContact CE2-CD2 3.55Å; Y343-T395 WeakPolarHBondContact CA-O 3.25Å; Y343-T395 HydrophobicContact CD1-CG2 4.14Å; Y343-T395 HydrophobicContact CE1-CG2 4.36Å
344L97.7Very high94.5Very high0 Ų052.9 Ų52.90%025%0.254CS..EExtended strand (participates in β ladder)trans-112.7105.5169.7-175.759.9000108.9I381 W385 I394 T395 D397 P413 W415L344-I381 HydrophobicContact CD1-CD1 4.34Å; L344-W385 HydrophobicContact CD2-CH2 3.82Å; L344-W385 HydrophobicContact CD2-CZ2 4.07Å; L344-I394 HydrophobicContact CB-CG2 3.94Å; L344-T395 PolarHBondContact N-O 3.33Å; L344-D397 WeakPolarHBondContact O-CB 3.01Å; L344-D397 PolarHBondContact O-N 3.1Å; L344-P413 HydrophobicContact CD2-CG 3.43Å; L344-P413 VanDerWaalsContact CD2-CG 3.43Å; L344-P413 HydrophobicContact CG-CG 4.37Å; L344-W415 HydrophobicContact CD1-CH2 4.39Å; L344-W415 HydrophobicContact CD2-CH2 4.09Å; L344-W415 HydrophobicContact CD2-CZ3 4.26Å
345K96.9Very high94.7Very high67 Ų6750.1 Ų50.129%0.29124%0.242SC..EExtended strand (participates in β ladder)trans-98149.9-178.1-66.3-64.7-178.3174.50111.8F353 Q354 L356 D397K345-F353 CarbonylContact O-C 3.5Å; K345-F353 WeakPolarHBondContact O-CA 3.35Å; K345-Q354 HydrophobicContact CB-CB 4.26Å; K345-Q354 PolarHBondContact N-O 2.98Å; K345-Q354 PolarHBondContact O-N 3.3Å; K345-L356 HydrophobicContact CB-CD1 4.41Å; K345-L356 HydrophobicContact CG-CD1 3.69Å; K345-L356 HydrophobicContact CG-CG 4.48Å; K345-D397 HydrophobicContact CD-CB 4.11Å; K345-D397 VanDerWaalsContact CD-CG 3.4Å; K345-D397 WeakPolarHBondContact CD-OD2 3.26Å; K345-D397 IonicContact NZ-OD1 2.8Å; K345-D397 PolarHBondContact NZ-OD1 3.37Å
346R96Very high94.8Very high22 Ų2250.9 Ų50.98%0.08325%0.246CC..EExtended strand (participates in β ladder)trans-118.3159.1-178.4-63.8-164.167.5159.83.3111.9M352 F353 D397 Y400 K409 S410 S411 D443 Y445R346-M352 CarbonylContact C-O 3.53Å; R346-M352 VanDerWaalsContact CA-O 3.31Å; R346-M352 WeakPolarHBondContact CA-O 3.46Å; R346-F353 HydrophobicContact CG-CD1 4.43Å; R346-D397 HydrophobicContact CG-CB 4.4Å; R346-D397 PolarHBondContact N-OD2 2.94Å; R346-Y400 HydrophobicContact CB-CD1 3.39Å; R346-Y400 HydrophobicContact CB-CD2 3.84Å; R346-Y400 HydrophobicContact CB-CE1 3.56Å; R346-Y400 HydrophobicContact CB-CE2 4.03Å; R346-Y400 HydrophobicContact CB-CG 3.52Å; R346-Y400 HydrophobicContact CG-CD1 4.02Å; R346-Y400 HydrophobicContact CG-CE1 4.24Å; R346-Y400 HydrophobicContact CG-CG 4.49Å; R346-K409 PolarHBondContact NH1-O 2.88Å; R346-K409 PolarHBondContact NH2-O 3.41Å; R346-S410 VanDerWaalsContact NH1-C 3.25Å; R346-S410 VanDerWaalsContact NH1-CA 3.28Å; R346-S411 PolarHBondContact NH1-O 3.41Å; R346-D443 IonicContact CZ-OD2 3.42Å; R346-D443 VanDerWaalsContact CZ-OD2 3.26Å; R346-D443 IonicContact NH1-OD2 3.21Å; R346-D443 PolarHBondContact NH1-OD2 2.77Å; R346-D443 IonicContact NH2-OD2 2.67Å; R346-D443 PolarHBondContact NH2-OD2 2.67Å; R346-Y445 PolarHBondContact NH2-OH 2.91Å
347S94.6Very high94.8Very high33 Ų3351.1 Ų51.123%0.23124%0.241CC..  trans-148.5145.7-178.9174.60000110.9H349 P351 M352S347-H349 WeakPolarHBondContact CB-O 3.49Å; S347-H349 PolarHBondContact O-N 3.24Å; S347-H349 PolarHBondContact OG-N 3.03Å; S347-H349 VanDerWaalsContact OG-N 3.09Å; S347-H349 PolarHBondContact OG-O 3.45Å; S347-P351 WeakPolarHBondContact CB-O 3.21Å; S347-M352 PolarHBondContact N-O 2.95Å
348E91.4Very high94.6Very high111 Ų11149.9 Ų49.952%0.51923%0.234SC..SBendtrans-69.1-20170.2-69.6-54.8112.800113.1Y400 H404E348-Y400 HydrophobicContact CG-CE2 4.41Å; E348-Y400 WeakPolarHBondContact OE1-CE2 3.14Å; E348-Y400 PolarHBondContact OE1-OH 2.87Å; E348-H404 IonicContact OE1-CD2 3.25Å; E348-H404 IonicContact OE1-CE1 3.01Å; E348-H404 PolarHBondContact OE1-CE1 3.2Å; E348-H404 IonicContact OE1-NE2 2.76Å; E348-H404 PolarHBondContact OE1-NE2 2.72Å
349H91.5Very high94.2Very high147 Ų14751.2 Ų51.268%0.68124%0.241SC*.SBendtrans-121.9146.5-175.9-57.6-37000110.6S347 P351S347-H349 WeakPolarHBondContact CB-O 3.49Å; S347-H349 PolarHBondContact O-N 3.24Å; S347-H349 PolarHBondContact OG-N 3.03Å; S347-H349 VanDerWaalsContact OG-N 3.09Å; S347-H349 PolarHBondContact OG-O 3.45Å; H349-P351 CarbonylContact O-C 3.54Å; H349-P351 VanDerWaalsContact O-C 3.22Å; H349-P351 VanDerWaalsContact O-O 3.1Å
350E89.4Confident93.3Very high130 Ų13052 Ų5261%0.60725%0.248SC*.SBendtrans-58.1133.3176.4-71.3-66.517900111.4M352E350-M352 PolarHBondContact OE2-N 2.96Å
351P92Very high92Very high40 Ų4054.5 Ų54.526%0.2626%0.26SS..SBendcis-74.1127.80.231.6-35.8000113S347 H349 F353 K376S347-P351 WeakPolarHBondContact CB-O 3.21Å; H349-P351 CarbonylContact O-C 3.54Å; H349-P351 VanDerWaalsContact O-C 3.22Å; H349-P351 VanDerWaalsContact O-O 3.1Å; P351-F353 PolarHBondContact O-N 3.07Å; P351-K376 HydrophobicContact CB-CB 3.72Å; P351-K376 HydrophobicContact CB-CD 4.46Å; P351-K376 HydrophobicContact CB-CG 4.09Å; P351-K376 HydrophobicContact CG-CB 4.03Å; P351-K376 HydrophobicContact CG-CD 3.83Å; P351-K376 HydrophobicContact CG-CG 3.84Å
352M93.8Very high90.7Very high51 Ų5159 Ų5925%0.25129%0.287SS..  trans-65-25.6-178.8-70.8-179.367.400113.9R346 S347 E350R346-M352 CarbonylContact C-O 3.53Å; R346-M352 VanDerWaalsContact CA-O 3.31Å; R346-M352 WeakPolarHBondContact CA-O 3.46Å; S347-M352 PolarHBondContact N-O 2.95Å; E350-M352 PolarHBondContact OE2-N 2.96Å
353F96.4Very high89.1Confident0 Ų066.6 Ų66.60%032%0.323CS..EExtended strand (participates in β ladder)trans-127.1145.4-175.2-56.3-80.3000111.2K345 R346 P351 K376 P378 I381 P413 W415 Y445K345-F353 CarbonylContact O-C 3.5Å; K345-F353 WeakPolarHBondContact O-CA 3.35Å; R346-F353 HydrophobicContact CG-CD1 4.43Å; P351-F353 PolarHBondContact O-N 3.07Å; F353-K376 WeakPolarHBondContact O-CA 3.5Å; F353-P378 HydrophobicContact CD2-CG 3.59Å; F353-P378 HydrophobicContact CE2-CG 4.1Å; F353-P378 HydrophobicContact CG-CG 4.49Å; F353-I381 HydrophobicContact CB-CD1 4.11Å; F353-P413 HydrophobicContact CD1-CB 4.41Å; F353-P413 HydrophobicContact CD1-CG 4.12Å; F353-P413 HydrophobicContact CE1-CB 3.69Å; F353-P413 HydrophobicContact CE1-CG 3.82Å; F353-P413 HydrophobicContact CZ-CB 4.28Å; F353-W415 HydrophobicContact CB-CZ2 4.43Å; F353-W415 AromaticContact CD1-CH2 3.93Å; F353-W415 HydrophobicContact CD1-CH2 3.93Å; F353-W415 AromaticContact CD1-CZ2 3.65Å; F353-W415 HydrophobicContact CD1-CZ2 3.65Å; F353-W415 AromaticContact CD2-CZ2 3.81Å; F353-W415 HydrophobicContact CD2-CZ2 3.81Å; F353-W415 HydrophobicContact CE1-CH2 4.28Å; F353-W415 AromaticContact CE1-CZ2 3.73Å; F353-W415 HydrophobicContact CE1-CZ2 3.73Å; F353-W415 AromaticContact CE2-CZ2 3.88Å; F353-W415 HydrophobicContact CE2-CZ2 3.88Å; F353-W415 HydrophobicContact CG-CH2 4.14Å; F353-W415 AromaticContact CG-CZ2 3.68Å; F353-W415 HydrophobicContact CG-CZ2 3.68Å; F353-W415 AromaticContact CZ-CZ2 3.84Å; F353-W415 HydrophobicContact CZ-CZ2 3.84Å; F353-Y445 HydrophobicContact CZ-CE1 4.33Å; F353-Y445 AromaticContact CZ-CE2 3.75Å; F353-Y445 HydrophobicContact CZ-CE2 3.75Å; F353-Y445 AromaticContact CZ-CZ 3.64Å
354Q97Very high87.4Confident56 Ų5668.1 Ų68.126%0.26233%0.334SS..EExtended strand (participates in β ladder)trans-140112.8173.7-54.6-172.427.800109.7K345 L356 N373 K376K345-Q354 HydrophobicContact CB-CB 4.26Å; K345-Q354 PolarHBondContact N-O 2.98Å; K345-Q354 PolarHBondContact O-N 3.3Å; Q354-L356 HydrophobicContact CB-CD2 4.08Å; Q354-L356 HydrophobicContact CB-CG 4.42Å; Q354-N373 PolarHBondContact OE1-ND2 3.07Å; Q354-N373 VanDerWaalsContact OE1-ND2 3.16Å; Q354-K376 HydrophobicContact CG-CG 4.21Å
355L98.1Very high85.5Confident0 Ų074.3 Ų74.30%038%0.375CS..EExtended strand (participates in β ladder)trans-84.4116.1168.5-178.366.4000108.2W342 I374 S375 I381 I384W342-L355 HydrophobicContact CE3-CD1 3.97Å; W342-L355 HydrophobicContact CE3-CD2 4.3Å; W342-L355 HydrophobicContact CE3-CG 4.04Å; W342-L355 HydrophobicContact CZ3-CD2 4.02Å; W342-L355 HydrophobicContact CZ3-CG 4.11Å; L355-I374 HydrophobicContact CD2-CB 4.49Å; L355-I374 HydrophobicContact CD2-CG2 4.36Å; L355-I374 HydrophobicContact CG-CB 4.44Å; L355-I374 WeakPolarHBondContact O-CB 3.33Å; L355-I374 PolarHBondContact O-N 2.76Å; L355-S375 PolarHBondContact N-O 2.84Å; L355-S375 PolarHBondContact O-N 2.94Å; L355-I381 HydrophobicContact CB-CD1 4.04Å; L355-I381 HydrophobicContact CB-CG1 3.95Å; L355-I381 HydrophobicContact CD2-CG1 4.46Å; L355-I381 HydrophobicContact CD2-CG2 4.43Å; L355-I384 HydrophobicContact CD2-CD1 4.26Å; L355-I384 HydrophobicContact CD2-CG2 4.31Å
356L97.4Very high83.8Confident17 Ų1777.8 Ų77.89%0.08940%0.396CS..EExtended strand (participates in β ladder)trans-114.2151.4-178.8-48.4175.7000110.3W342 Y343 K345 Q354 L371 I372 N373W342-L356 WeakPolarHBondContact CA-O 3.41Å; Y343-L356 PolarHBondContact N-O 3.15Å; Y343-L356 PolarHBondContact O-N 3.23Å; K345-L356 HydrophobicContact CB-CD1 4.41Å; K345-L356 HydrophobicContact CG-CD1 3.69Å; K345-L356 HydrophobicContact CG-CG 4.48Å; Q354-L356 HydrophobicContact CB-CD2 4.08Å; Q354-L356 HydrophobicContact CB-CG 4.42Å; L356-L371 HydrophobicContact CD1-CD1 4.08Å; L356-I372 CarbonylContact C-O 3.5Å; L356-I372 VanDerWaalsContact CA-O 3.29Å; L356-I372 WeakPolarHBondContact CA-O 3.36Å; L356-N373 HydrophobicContact CD2-CB 3.67Å
357K94.9Very high82.2Confident64 Ų6479.3 Ų79.328%0.27841%0.406SS..EExtended strand (participates in β ladder)trans-125.7130.7175.2-175.1-179.5172.91790109.6T340 W342 L371 I372 I374T340-K357 HydrophobicContact CG2-CD 3.75Å; T340-K357 HydrophobicContact CG2-CG 3.32Å; W342-K357 HydrophobicContact CD2-CB 4.42Å; W342-K357 HydrophobicContact CD2-CG 4.35Å; W342-K357 HydrophobicContact CE3-CB 4.02Å; W342-K357 HydrophobicContact CE3-CG 4.4Å; W342-K357 HydrophobicContact CH2-CB 4.37Å; W342-K357 HydrophobicContact CH2-CD 3.96Å; W342-K357 HydrophobicContact CH2-CG 4.36Å; W342-K357 HydrophobicContact CZ2-CD 3.89Å; W342-K357 HydrophobicContact CZ2-CG 4.28Å; W342-K357 HydrophobicContact CZ3-CB 4.04Å; W342-K357 HydrophobicContact CZ3-CD 4.48Å; W342-K357 HydrophobicContact CZ3-CG 4.44Å; K357-L371 WeakPolarHBondContact O-CA 3.45Å; K357-I372 PolarHBondContact N-O 3.35Å; K357-I372 PolarHBondContact O-N 3.39Å; K357-I374 HydrophobicContact CB-CD1 3.91Å; K357-I374 HydrophobicContact CB-CG1 3.69Å; K357-I374 HydrophobicContact CD-CD1 4.47Å
358E92Very high80.8Confident8 Ų883.8 Ų83.84%0.03743%0.428CS..EExtended strand (participates in β ladder)trans-73.9134.9168.8-158.616514700110.2K341 Y343 H360 L371K341-E358 HydrophobicContact CB-CB 3.78Å; K341-E358 WeakPolarHBondContact CB-OE2 3.34Å; K341-E358 WeakPolarHBondContact CD-OE2 3.19Å; K341-E358 PolarHBondContact O-N 3.42Å; Y343-E358 HydrophobicContact CE2-CB 4.17Å; Y343-E358 PolarHBondContact OH-OE2 3.33Å; E358-H360 IonicContact OE1-CE1 3.24Å; E358-H360 PolarHBondContact OE1-CE1 3.21Å; E358-H360 IonicContact OE1-NE2 3.68Å; E358-L371 HydrophobicContact CB-CD2 4.09Å; E358-L371 HydrophobicContact CG-CD2 4.29Å
359I86.7Confident79.9Confident65 Ų6584.1 Ų84.133%0.33343%0.427SS..EExtended strand (participates in β ladder)trans-122.6131173.1-53.5-166.7000107.8Q370 I372I359-Q370 PolarHBondContact N-O 2.62Å; I359-I372 HydrophobicContact CD1-CB 4.13Å; I359-I372 HydrophobicContact CD1-CD1 3.23Å; I359-I372 HydrophobicContact CD1-CG1 3.53Å; I359-I372 HydrophobicContact CG1-CD1 4.26Å; I359-I372 HydrophobicContact CG1-CG1 4.06Å
360H74.7Confident79.6Confident115 Ų11581.8 Ų81.853%0.53242%0.416SS..  trans-96.4131.3168.9-62.9-64.5000108.3E358 D362E358-H360 IonicContact OE1-CE1 3.24Å; E358-H360 PolarHBondContact OE1-CE1 3.21Å; E358-H360 IonicContact OE1-NE2 3.68Å; H360-D362 PolarHBondContact O-N 2.92Å
361N65.4Low79.7Confident86 Ų8679.4 Ų79.446%0.4641%0.408SS..  trans-79.2108.7160.1-88.4-40.2000107.7H363 D364 D367N361-H363 PolarHBondContact O-N 3.19Å; N361-D364 PolarHBondContact O-N 3.26Å; N361-D367 HydrophobicContact CB-CB 4.43Å; N361-D367 WeakPolarHBondContact CB-OD2 3.46Å; N361-D367 PolarHBondContact ND2-OD2 3.42Å
362D65.3Low79.8Confident156 Ų15681.3 Ų81.383%0.83442%0.415SS*.THydrogen-bonded Turntrans-57.3-10.5176.8-69.5-24.8000113.5H360H360-D362 PolarHBondContact O-N 2.92Å
363H63Low79.9Confident184 Ų18481.6 Ų81.685%0.85242%0.417SS*.THydrogen-bonded Turntrans-98.5-9.8-176.1-70-42.3000115.6N361N361-H363 PolarHBondContact O-N 3.19Å
364D61Low79.9Confident79 Ų7984.7 Ų84.742%0.42243%0.433SS..  trans-141.4104.5175.1-168.7-5.3000111.3N361 N366 D367N361-D364 PolarHBondContact O-N 3.26Å; D364-N366 PolarHBondContact O-N 3.09Å; D364-N366 VanDerWaalsContact O-N 3.11Å; D364-N366 WeakPolarHBondContact OD1-CB 3.49Å; D364-N366 PolarHBondContact OD1-N 3.17Å; D364-D367 HydrophobicContact CB-CB 4.2Å; D364-D367 WeakPolarHBondContact O-CB 3.15Å; D364-D367 PolarHBondContact O-N 2.99Å
365P58.5Low79.9Confident130 Ų13082.2 Ų82.284%0.84442%0.422SS*.THydrogen-bonded Turntrans-66.4-6.3176.126.6-32.3000113.7
366N60.4Low79.8Confident139 Ų13987.2 Ų87.274%0.74344%0.444SS*.THydrogen-bonded Turntrans-1026.4171.4-56.9-56.6000113.3D364 D368D364-N366 PolarHBondContact O-N 3.09Å; D364-N366 VanDerWaalsContact O-N 3.11Å; D364-N366 WeakPolarHBondContact OD1-CB 3.49Å; D364-N366 PolarHBondContact OD1-N 3.17Å; N366-D368 PolarHBondContact O-N 3.41Å
367D63.5Low79.6Confident54 Ų5487 Ų8729%0.28944%0.442SS..  trans-66.4127.4178.1-165.114.1000110N361 D364 K369 Q370N361-D367 HydrophobicContact CB-CB 4.43Å; N361-D367 WeakPolarHBondContact CB-OD2 3.46Å; N361-D367 PolarHBondContact ND2-OD2 3.42Å; D364-D367 HydrophobicContact CB-CB 4.2Å; D364-D367 WeakPolarHBondContact O-CB 3.15Å; D364-D367 PolarHBondContact O-N 2.99Å; D367-K369 PolarHBondContact O-N 3.42Å; D367-Q370 PolarHBondContact OD1-NE2 3.26Å; D367-Q370 PolarHBondContact OD2-NE2 2.85Å
368D64.4Low79.5Confident128 Ų12884.1 Ų84.168%0.68443%0.43SS*.  trans-56.8132.4173.4-79.2-32.1000108.3N366 Q370N366-D368 PolarHBondContact O-N 3.41Å; D368-Q370 VanDerWaalsContact O-CG 3.26Å; D368-Q370 WeakPolarHBondContact O-CG 3.48Å; D368-Q370 PolarHBondContact O-N 2.91Å
369K73.3Confident79.6Confident118 Ų11883.8 Ų83.851%0.51343%0.429SS..  trans-50.1111.1179.2-67.2171.6178.4122.10110.3E103 D367E103-K369 IonicContact OE1-NZ 3.51Å; E103-K369 PolarHBondContact OE1-NZ 2.8Å; D367-K369 PolarHBondContact O-N 3.42Å
370Q84.3Confident80Confident97 Ų9783.3 Ų83.345%0.45343%0.425SS..EExtended strand (participates in β ladder)trans-91.9125.2178.7-59.1-168.919.300110.1I359 D367 D368I359-Q370 PolarHBondContact N-O 2.62Å; D367-Q370 PolarHBondContact OD1-NE2 3.26Å; D367-Q370 PolarHBondContact OD2-NE2 2.85Å; D368-Q370 VanDerWaalsContact O-CG 3.26Å; D368-Q370 WeakPolarHBondContact O-CG 3.48Å; D368-Q370 PolarHBondContact O-N 2.91Å
371L91.1Very high81Confident81 Ų8177.8 Ų77.842%0.42440%0.4SS..EExtended strand (participates in β ladder)trans-99.4119.5172.5-63.2179.4000109.5Y343 L356 K357 E358Y343-L371 HydrophobicContact CD2-CD2 3.73Å; Y343-L371 HydrophobicContact CE2-CD2 3.55Å; L356-L371 HydrophobicContact CD1-CD1 4.08Å; K357-L371 WeakPolarHBondContact O-CA 3.45Å; E358-L371 HydrophobicContact CB-CD2 4.09Å; E358-L371 HydrophobicContact CG-CD2 4.29Å
372I94.3Very high82.5Confident80 Ų8073.9 Ų73.941%0.4138%0.379SS..EExtended strand (participates in β ladder)trans-95.4130.6171.3-59.8-155.8000109.3L356 K357 I359 I374L356-I372 CarbonylContact C-O 3.5Å; L356-I372 VanDerWaalsContact CA-O 3.29Å; L356-I372 WeakPolarHBondContact CA-O 3.36Å; K357-I372 PolarHBondContact N-O 3.35Å; K357-I372 PolarHBondContact O-N 3.39Å; I359-I372 HydrophobicContact CD1-CB 4.13Å; I359-I372 HydrophobicContact CD1-CD1 3.23Å; I359-I372 HydrophobicContact CD1-CG1 3.53Å; I359-I372 HydrophobicContact CG1-CD1 4.26Å; I359-I372 HydrophobicContact CG1-CG1 4.06Å; I372-I374 HydrophobicContact CG2-CD1 4.17Å; I372-I374 PolarHBondContact O-N 3.39Å
373N95.6Very high83.9Confident56 Ų5668.5 Ų68.530%0.29935%0.349SS..EExtended strand (participates in β ladder)trans-76.6116.5171.5-170.1-58000110.1Q354 L356 S375 K376Q354-N373 PolarHBondContact OE1-ND2 3.07Å; Q354-N373 VanDerWaalsContact OE1-ND2 3.16Å; L356-N373 HydrophobicContact CD2-CB 3.67Å; N373-S375 PolarHBondContact OD1-N 3.15Å; N373-S375 PolarHBondContact OD1-O 3.12Å; N373-K376 WeakPolarHBondContact ND2-CE 3Å
374I97.3Very high85.5Confident66 Ų6662.3 Ų62.334%0.33832%0.321SS..EExtended strand (participates in β ladder)trans-88.8-44.4-177.4-59.5-58.1000110.9W342 L355 K357 I372 I384W342-I374 HydrophobicContact CH2-CG1 4.28Å; W342-I374 HydrophobicContact CZ3-CB 4.23Å; W342-I374 HydrophobicContact CZ3-CG1 3.71Å; W342-I374 HydrophobicContact CZ3-CG2 4.2Å; L355-I374 HydrophobicContact CD2-CB 4.49Å; L355-I374 HydrophobicContact CD2-CG2 4.36Å; L355-I374 HydrophobicContact CG-CB 4.44Å; L355-I374 WeakPolarHBondContact O-CB 3.33Å; L355-I374 PolarHBondContact O-N 2.76Å; K357-I374 HydrophobicContact CB-CD1 3.91Å; K357-I374 HydrophobicContact CB-CG1 3.69Å; K357-I374 HydrophobicContact CD-CD1 4.47Å; I372-I374 HydrophobicContact CG2-CD1 4.17Å; I372-I374 PolarHBondContact O-N 3.39Å; I374-I384 HydrophobicContact CG2-CD1 3.86Å
375S96.3Very high87.2Confident4 Ų458.8 Ų58.83%0.02830%0.302CS..EExtended strand (participates in β ladder)trans-155.9154.2172.1-174.60000111.8L355 N373 D377 E380L355-S375 PolarHBondContact N-O 2.84Å; L355-S375 PolarHBondContact O-N 2.94Å; N373-S375 PolarHBondContact OD1-N 3.15Å; N373-S375 PolarHBondContact OD1-O 3.12Å; S375-D377 PolarHBondContact OG-N 2.82Å; S375-D377 VanDerWaalsContact OG-N 3.15Å; S375-D377 PolarHBondContact OG-O 2.93Å; S375-E380 VanDerWaalsContact OG-CB 3.24Å; S375-E380 WeakPolarHBondContact OG-CB 3.46Å; S375-E380 PolarHBondContact OG-OE2 3.33Å
376K95.6Very high89.1Confident105 Ų10552.9 Ų52.946%0.45726%0.264SS..  trans-117.8-7.2175.4-75162.7169.4-166.60112.4P351 F353 Q354 N373P351-K376 HydrophobicContact CB-CB 3.72Å; P351-K376 HydrophobicContact CB-CD 4.46Å; P351-K376 HydrophobicContact CB-CG 4.09Å; P351-K376 HydrophobicContact CG-CB 4.03Å; P351-K376 HydrophobicContact CG-CD 3.83Å; P351-K376 HydrophobicContact CG-CG 3.84Å; F353-K376 WeakPolarHBondContact O-CA 3.5Å; Q354-K376 HydrophobicContact CG-CG 4.21Å; N373-K376 WeakPolarHBondContact ND2-CE 3Å
377D93.2Very high90.8Very high11 Ų1153 Ų536%0.05926%0.258CS..  trans-100.3118-177175.53.2000109S375 Y379 E380 I381S375-D377 PolarHBondContact OG-N 2.82Å; S375-D377 VanDerWaalsContact OG-N 3.15Å; S375-D377 PolarHBondContact OG-O 2.93Å; D377-Y379 PolarHBondContact O-N 3.35Å; D377-Y379 VanDerWaalsContact O-N 3.15Å; D377-Y379 PolarHBondContact OD1-N 3.17Å; D377-E380 HydrophobicContact CB-CB 4.03Å; D377-E380 HydrophobicContact CB-CG 3.95Å; D377-E380 PolarHBondContact O-N 3.2Å; D377-E380 VanDerWaalsContact O-N 3.09Å; D377-I381 WeakPolarHBondContact O-CG1 3.49Å; D377-I381 PolarHBondContact O-N 3.15Å
378P94.4Very high92.3Very high4 Ų452.9 Ų52.93%0.02626%0.255CS..Hα-helixtrans-48.5-37.4176-37.344.4000115.7F353 I381 Y382 W415 Y476F353-P378 HydrophobicContact CD2-CG 3.59Å; F353-P378 HydrophobicContact CE2-CG 4.1Å; F353-P378 HydrophobicContact CG-CG 4.49Å; P378-I381 PolarHBondContact O-N 3.18Å; P378-Y382 WeakPolarHBondContact O-CB 3.46Å; P378-Y382 PolarHBondContact O-N 2.92Å; P378-W415 HydrophobicContact CB-CD2 4.49Å; P378-W415 HydrophobicContact CB-CZ2 4.24Å; P378-W415 HydrophobicContact CG-CZ2 4.39Å; P378-Y476 HydrophobicContact CB-CD1 4.15Å; P378-Y476 HydrophobicContact CB-CE1 3.9Å; P378-Y476 HydrophobicContact CG-CD1 4.38Å; P378-Y476 HydrophobicContact CG-CE1 3.65Å; P378-Y476 HydrophobicContact CG-CE2 4.31Å
379Y93.1Very high93.8Very high1 Ų151.4 Ų51.40%0.00425%0.246CC..Hα-helixtrans-70.9-42.9179.1-175.4-101.4000111.7D377 I381 Y382 Q383 F447 N451 F452 N455 H474D377-Y379 PolarHBondContact O-N 3.35Å; D377-Y379 VanDerWaalsContact O-N 3.15Å; D377-Y379 PolarHBondContact OD1-N 3.17Å; Y379-I381 VanDerWaalsContact C-N 3.32Å; Y379-I381 PolarHBondContact O-N 3.47Å; Y379-Y382 PolarHBondContact O-N 3.41Å; Y379-Q383 HydrophobicContact CD1-CG 4.18Å; Y379-Q383 HydrophobicContact CE1-CG 3.89Å; Y379-Q383 WeakPolarHBondContact O-CG 3.22Å; Y379-Q383 PolarHBondContact O-N 2.81Å; Y379-Q383 PolarHBondContact OH-NE2 3.28Å; Y379-F447 HydrophobicContact CD2-CD1 4.02Å; Y379-F447 AromaticContact CD2-CE1 3.86Å; Y379-F447 HydrophobicContact CD2-CE1 3.86Å; Y379-F447 HydrophobicContact CD2-CE2 4.43Å; Y379-F447 HydrophobicContact CD2-CG 4.43Å; Y379-F447 HydrophobicContact CD2-CZ 4.08Å; Y379-F447 HydrophobicContact CG-CE1 4.39Å; Y379-N451 HydrophobicContact CE2-CB 4.35Å; Y379-N451 PolarHBondContact OH-O 3.36Å; Y379-F452 HydrophobicContact CE2-CD2 4.47Å; Y379-F452 HydrophobicContact CE2-CE1 4.13Å; Y379-F452 AromaticContact CE2-CE2 3.86Å; Y379-F452 HydrophobicContact CE2-CE2 3.86Å; Y379-F452 AromaticContact CE2-CZ 3.68Å; Y379-F452 HydrophobicContact CE2-CZ 3.68Å; Y379-N455 PolarHBondContact OH-ND2 3.49Å; Y379-H474 HydrophobicContact CD1-CB 4.43Å; Y379-H474 AromaticContact CD1-CD2 3.85Å; Y379-H474 AromaticContact CD1-CE1 3.27Å; Y379-H474 WeakPolarHBondContact CD1-CE1 3.47Å; Y379-H474 AromaticContact CD1-CG 3.62Å; Y379-H474 AromaticContact CD1-ND1 3.24Å; Y379-H474 WeakPolarHBondContact CD1-ND1 3.39Å; Y379-H474 AromaticContact CD1-NE2 3.64Å; Y379-H474 HydrophobicContact CD2-CB 4.13Å; Y379-H474 AromaticContact CE1-CD2 3.81Å; Y379-H474 AromaticContact CE1-CE1 3.49Å; Y379-H474 VanDerWaalsContact CE1-CE1 3.49Å; Y379-H474 WeakPolarHBondContact CE1-CE1 3.21Å; Y379-H474 AromaticContact CE1-ND1 3.88Å; Y379-H474 AromaticContact CE1-NE2 3.42Å; Y379-H474 WeakPolarHBondContact CE1-NE2 3.33Å; Y379-H474 HydrophobicContact CG-CB 3.88Å; Y379-H474 AromaticContact CG-CG 3.56Å; Y379-H474 AromaticContact CG-ND1 3.55Å; Y379-H474 AromaticContact CZ-NE2 3.98Å
380E94.8Very high94.8Very high55 Ų5545.8 Ų45.826%0.25722%0.222SC..Hα-helixtrans-60.9-41.4172.6-71.5175.1-17000111.1S375 D377 Q383 I384 K471S375-E380 VanDerWaalsContact OG-CB 3.24Å; S375-E380 WeakPolarHBondContact OG-CB 3.46Å; S375-E380 PolarHBondContact OG-OE2 3.33Å; D377-E380 HydrophobicContact CB-CB 4.03Å; D377-E380 HydrophobicContact CB-CG 3.95Å; D377-E380 PolarHBondContact O-N 3.2Å; D377-E380 VanDerWaalsContact O-N 3.09Å; E380-Q383 PolarHBondContact O-N 2.78Å; E380-I384 WeakPolarHBondContact O-CD1 3.44Å; E380-I384 VanDerWaalsContact O-CG1 3.22Å; E380-I384 WeakPolarHBondContact O-CG1 3.47Å; E380-I384 PolarHBondContact O-N 3.36Å; E380-K471 WeakPolarHBondContact OE1-CE 3.27Å; E380-K471 IonicContact OE1-NZ 2.66Å; E380-K471 PolarHBondContact OE1-NZ 2.93Å
381I96.5Very high95.4Very high0 Ų041.1 Ų41.10%020%0.2CC..Hα-helixtrans-59.9-49.2174.8-65.5170.7000110.6L344 F353 L355 D377 P378 Y379 Q383 I384 W385 W415L344-I381 HydrophobicContact CD1-CD1 4.34Å; F353-I381 HydrophobicContact CB-CD1 4.11Å; L355-I381 HydrophobicContact CB-CD1 4.04Å; L355-I381 HydrophobicContact CB-CG1 3.95Å; L355-I381 HydrophobicContact CD2-CG1 4.46Å; L355-I381 HydrophobicContact CD2-CG2 4.43Å; D377-I381 WeakPolarHBondContact O-CG1 3.49Å; D377-I381 PolarHBondContact O-N 3.15Å; P378-I381 PolarHBondContact O-N 3.18Å; Y379-I381 VanDerWaalsContact C-N 3.32Å; Y379-I381 PolarHBondContact O-N 3.47Å; I381-Q383 VanDerWaalsContact C-N 3.3Å; I381-Q383 PolarHBondContact O-N 2.66Å; I381-I384 PolarHBondContact O-N 3.29Å; I381-W385 HydrophobicContact CG2-CD2 4.1Å; I381-W385 HydrophobicContact CG2-CZ2 4.02Å; I381-W385 PolarHBondContact O-N 3.28Å; I381-W415 HydrophobicContact CG2-CE3 4.39Å; I381-W415 HydrophobicContact CG2-CH2 4.34Å; I381-W415 HydrophobicContact CG2-CZ3 3.82Å
382Y96.2Very high95.7Very high3 Ų337.4 Ų37.41%0.01218%0.181CC..Hα-helixtrans-56.7-43.9175.5172.4-94000111.8P378 Y379 W385 S386 W415 D420 H425 F447 F452P378-Y382 WeakPolarHBondContact O-CB 3.46Å; P378-Y382 PolarHBondContact O-N 2.92Å; Y379-Y382 PolarHBondContact O-N 3.41Å; Y382-W385 PolarHBondContact O-N 3.38Å; Y382-S386 WeakPolarHBondContact CE1-OG 3.4Å; Y382-S386 WeakPolarHBondContact O-CB 3.46Å; Y382-S386 PolarHBondContact O-N 3.21Å; Y382-S386 PolarHBondContact O-OG 3.46Å; Y382-W415 HydrophobicContact CD2-CB 4.25Å; Y382-D420 PolarHBondContact OH-OD2 3.34Å; Y382-H425 AromaticContact CD2-CE1 3.77Å; Y382-H425 AromaticContact CD2-NE2 3.81Å; Y382-H425 AromaticContact CE2-CD2 3.65Å; Y382-H425 AromaticContact CE2-CE1 3.8Å; Y382-H425 AromaticContact CE2-NE2 3.41Å; Y382-H425 WeakPolarHBondContact CE2-NE2 3.48Å; Y382-F447 AromaticContact CD1-CE2 3.98Å; Y382-F447 HydrophobicContact CD1-CE2 3.98Å; Y382-F447 AromaticContact CD2-CE2 3.8Å; Y382-F447 HydrophobicContact CD2-CE2 3.8Å; Y382-F447 HydrophobicContact CE2-CE2 4.45Å; Y382-F447 AromaticContact CG-CE2 3.53Å; Y382-F447 HydrophobicContact CG-CE2 3.53Å; Y382-F447 HydrophobicContact CG-CZ 4.14Å; Y382-F452 HydrophobicContact CD1-CZ 4.27Å; Y382-F452 AromaticContact CE1-CE1 3.88Å; Y382-F452 HydrophobicContact CE1-CE1 3.88Å; Y382-F452 AromaticContact CE1-CZ 3.71Å; Y382-F452 HydrophobicContact CE1-CZ 3.71Å
383Q95.4Very high95.8Very high44 Ų4434.2 Ų34.221%0.20616%0.164CC..Hα-helixtrans-65.5-40.4178.2-74-172.8-31.400112.8Y379 E380 I381 S386 K387 N455Y379-Q383 HydrophobicContact CD1-CG 4.18Å; Y379-Q383 HydrophobicContact CE1-CG 3.89Å; Y379-Q383 WeakPolarHBondContact O-CG 3.22Å; Y379-Q383 PolarHBondContact O-N 2.81Å; Y379-Q383 PolarHBondContact OH-NE2 3.28Å; E380-Q383 PolarHBondContact O-N 2.78Å; I381-Q383 VanDerWaalsContact C-N 3.3Å; I381-Q383 PolarHBondContact O-N 2.66Å; Q383-S386 PolarHBondContact O-N 2.92Å; Q383-K387 WeakPolarHBondContact O-CB 3.35Å; Q383-K387 VanDerWaalsContact O-CG 3.29Å; Q383-K387 WeakPolarHBondContact O-CG 3.3Å; Q383-K387 PolarHBondContact O-N 3.25Å; Q383-N455 PolarHBondContact NE2-ND2 3.48Å
384I96.7Very high95.9Very high54 Ų5431.6 Ų31.628%0.27715%0.15SC..Hα-helixtrans-59.8-50.7174.6-70.2161.1000109.2L355 I374 E380 I381 S386 K387 Q388L355-I384 HydrophobicContact CD2-CD1 4.26Å; L355-I384 HydrophobicContact CD2-CG2 4.31Å; I374-I384 HydrophobicContact CG2-CD1 3.86Å; E380-I384 WeakPolarHBondContact O-CD1 3.44Å; E380-I384 VanDerWaalsContact O-CG1 3.22Å; E380-I384 WeakPolarHBondContact O-CG1 3.47Å; E380-I384 PolarHBondContact O-N 3.36Å; I381-I384 PolarHBondContact O-N 3.29Å; I384-S386 PolarHBondContact O-N 3.23Å; I384-K387 PolarHBondContact O-N 3.49Å; I384-Q388 PolarHBondContact O-N 3.26Å
385W97.4Very high95.8Very high5 Ų529.8 Ų29.82%0.01914%0.142CC..Hα-helixtrans-63.2-42.2179.8-68.42.4000112.3H13 F299 L344 I381 Y382 K387 Q388 W415H13-W385 AromaticContact CE1-CE3 3.43Å; H13-W385 VanDerWaalsContact CE1-CE3 3.43Å; H13-W385 AromaticContact CE1-CZ3 3.53Å; F299-W385 HydrophobicContact CE1-CB 4.33Å; F299-W385 AromaticContact CE1-CD1 3.65Å; F299-W385 HydrophobicContact CE1-CD2 4.21Å; F299-W385 AromaticContact CE1-CG 3.83Å; F299-W385 HydrophobicContact CE1-CG 3.83Å; F299-W385 AromaticContact CE1-NE1 3.9Å; F299-W385 HydrophobicContact CE2-CB 4.22Å; F299-W385 HydrophobicContact CZ-CB 3.77Å; F299-W385 AromaticContact CZ-CD1 3.85Å; F299-W385 HydrophobicContact CZ-CD2 4.48Å; F299-W385 AromaticContact CZ-CG 3.77Å; F299-W385 HydrophobicContact CZ-CG 3.77Å; L344-W385 HydrophobicContact CD2-CH2 3.82Å; L344-W385 HydrophobicContact CD2-CZ2 4.07Å; I381-W385 HydrophobicContact CG2-CD2 4.1Å; I381-W385 HydrophobicContact CG2-CZ2 4.02Å; I381-W385 PolarHBondContact O-N 3.28Å; Y382-W385 PolarHBondContact O-N 3.38Å; W385-K387 PolarHBondContact O-N 2.99Å; W385-Q388 VanDerWaalsContact O-CB 3.27Å; W385-Q388 WeakPolarHBondContact O-CB 3.49Å; W385-Q388 PolarHBondContact O-N 2.83Å; W385-Q388 VanDerWaalsContact O-N 3.16Å; W385-W415 AromaticContact CH2-CZ3 3.88Å; W385-W415 HydrophobicContact CH2-CZ3 3.88Å; W385-W415 HydrophobicContact CZ3-CE3 4.11Å; W385-W415 AromaticContact CZ3-CZ3 3.89Å; W385-W415 HydrophobicContact CZ3-CZ3 3.89Å
386S96.7Very high95.8Very high5 Ų529.8 Ų29.84%0.03514%0.142CC..Hα-helixtrans-60-30175.7-75.30000113.5K9 Y382 Q383 I384 H425K9-S386 WeakPolarHBondContact CE-O 3.47Å; K9-S386 PolarHBondContact NZ-O 2.92Å; Y382-S386 WeakPolarHBondContact CE1-OG 3.4Å; Y382-S386 WeakPolarHBondContact O-CB 3.46Å; Y382-S386 PolarHBondContact O-N 3.21Å; Y382-S386 PolarHBondContact O-OG 3.46Å; Q383-S386 PolarHBondContact O-N 2.92Å; I384-S386 PolarHBondContact O-N 3.23Å; S386-H425 PolarHBondContact OG-NE2 2.86Å
387K96.4Very high95.8Very high142 Ų14225.5 Ų25.562%0.61712%0.124SC*.Hα-helixtrans-84.7-18.8179.2-74.8173.1-177.3175.80113.1K9 Q383 I384 W385K9-K387 VanDerWaalsContact NZ-C 3.34Å; K9-K387 PolarHBondContact NZ-O 2.85Å; Q383-K387 WeakPolarHBondContact O-CB 3.35Å; Q383-K387 VanDerWaalsContact O-CG 3.29Å; Q383-K387 WeakPolarHBondContact O-CG 3.3Å; Q383-K387 PolarHBondContact O-N 3.25Å; I384-K387 PolarHBondContact O-N 3.49Å; W385-K387 PolarHBondContact O-N 2.99Å
388Q96.4Very high95.7Very high51 Ų5127.9 Ų27.924%0.23813%0.134CC..  trans-58.7151.3-177.1-168.656.74300113.4K9 A297 F299 I384 W385 I392K9-Q388 WeakPolarHBondContact CE-O 3.37Å; K9-Q388 PolarHBondContact NZ-O 3.18Å; A297-Q388 HydrophobicContact CB-CB 3.92Å; A297-Q388 HydrophobicContact CB-CG 4.04Å; A297-Q388 WeakPolarHBondContact CB-O 3.45Å; F299-Q388 HydrophobicContact CE2-CB 4.15Å; F299-Q388 HydrophobicContact CE2-CG 4.34Å; F299-Q388 HydrophobicContact CZ-CB 3.84Å; F299-Q388 HydrophobicContact CZ-CG 3.97Å; I384-Q388 PolarHBondContact O-N 3.26Å; W385-Q388 VanDerWaalsContact O-CB 3.27Å; W385-Q388 WeakPolarHBondContact O-CB 3.49Å; W385-Q388 PolarHBondContact O-N 2.83Å; W385-Q388 VanDerWaalsContact O-N 3.16Å; Q388-I392 HydrophobicContact CG-CD1 3.55Å; Q388-I392 HydrophobicContact CG-CG1 4.27Å
389I94.2Very high95.5Very high97 Ų9732.3 Ų32.350%0.49716%0.156SC..  trans-131146.9169-60.4176.1000108P336P336-I389 HydrophobicContact CG-CG2 4.23Å
390G94.9Very high95.6Very high0 Ų033.3 Ų33.30%016%0.159CC..EExtended strand (participates in β ladder)trans90.1-145.2176.200000113.8A297 I298 P336A297-G390 CarbonylContact C-O 3.59Å; A297-G390 WeakPolarHBondContact CA-O 3.29Å; I298-G390 PolarHBondContact N-O 3.02Å; P336-G390 CarbonylContact O-C 3.56Å; P336-G390 VanDerWaalsContact O-CA 3.22Å; P336-G390 WeakPolarHBondContact O-CA 3.39Å
391V97.6Very high95.4Very high0 Ų032 Ų320%015%0.152CC..EExtended strand (participates in β ladder)trans-122.7133.1-177.4-166.20000111.1I298 I300 L311 I314 L335 P336 D338I298-V391 HydrophobicContact CB-CB 4.49Å; I298-V391 HydrophobicContact CB-CG1 4.14Å; I298-V391 HydrophobicContact CB-CG2 4.19Å; I298-V391 HydrophobicContact CD1-CG2 4.49Å; I298-V391 HydrophobicContact CG2-CG1 4.05Å; I298-V391 CarbonylContact O-C 3.57Å; I298-V391 WeakPolarHBondContact O-CA 3.36Å; I300-V391 HydrophobicContact CD1-CG1 4.33Å; I300-V391 HydrophobicContact CG1-CG1 4.02Å; L311-V391 HydrophobicContact CD2-CB 4.24Å; L311-V391 HydrophobicContact CD2-CG1 3.62Å; I314-V391 HydrophobicContact CD1-CG1 3.82Å; I314-V391 HydrophobicContact CD1-CG2 4.33Å; I314-V391 HydrophobicContact CG2-CG2 4.38Å; L335-V391 HydrophobicContact CD1-CG2 3.32Å; L335-V391 HydrophobicContact CD2-CG2 4.38Å; L335-V391 HydrophobicContact CG-CG2 3.76Å; P336-V391 PolarHBondContact O-N 2.94Å; D338-V391 PolarHBondContact N-O 3.34Å
392I96.8Very high94.9Very high3 Ų334.9 Ų34.92%0.01517%0.165CC..EExtended strand (participates in β ladder)trans-130.2147176.8-76-176000109.9I298 F299 I300 D338 W342 Q388 I394I298-I392 PolarHBondContact O-N 3.34Å; F299-I392 CarbonylContact C-O 3.55Å; F299-I392 WeakPolarHBondContact CA-O 3.39Å; F299-I392 HydrophobicContact CD1-CB 4.42Å; F299-I392 HydrophobicContact CD1-CG2 4.3Å; F299-I392 HydrophobicContact CE1-CB 4.42Å; F299-I392 HydrophobicContact CE1-CG2 4.31Å; I300-I392 PolarHBondContact N-O 3.37Å; D338-I392 HydrophobicContact CB-CD1 4.21Å; D338-I392 HydrophobicContact CB-CG1 3.69Å; D338-I392 WeakPolarHBondContact OD2-CD1 3.38Å; W342-I392 HydrophobicContact CG-CG2 4.32Å; Q388-I392 HydrophobicContact CG-CD1 3.55Å; Q388-I392 HydrophobicContact CG-CG1 4.27Å; I392-I394 HydrophobicContact CG2-CD1 3.59Å; I392-I394 HydrophobicContact CG2-CG1 4.17Å
393N96.9Very high94.6Very high12 Ų1241.6 Ų41.66%0.06420%0.196CC..EExtended strand (participates in β ladder)trans-99.2132.5163.7175.862000111.5I300 T302 G307 L311I300-N393 HydrophobicContact CB-CB 4.42Å; I300-N393 WeakPolarHBondContact O-CA 3.31Å; I300-N393 PolarHBondContact O-OD1 2.96Å; T302-N393 WeakPolarHBondContact CG2-OD1 3.38Å; G307-N393 WeakPolarHBondContact CA-OD1 3.48Å; L311-N393 HydrophobicContact CD1-CB 4.15Å
394I97.1Very high94.3Very high1 Ų142.1 Ų42.11%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-120.3126.1169.9-49.2-66.2000108.5F299 I300 T302 W342 L344 I392F299-I394 HydrophobicContact CD1-CD1 4.03Å; F299-I394 HydrophobicContact CD1-CG1 3.63Å; F299-I394 HydrophobicContact CE1-CD1 4.16Å; F299-I394 HydrophobicContact CE1-CG1 4.25Å; I300-I394 PolarHBondContact O-N 3.37Å; T302-I394 PolarHBondContact N-O 2.72Å; T302-I394 VanDerWaalsContact N-O 3.14Å; W342-I394 HydrophobicContact CB-CD1 3.31Å; W342-I394 HydrophobicContact CB-CG1 4.5Å; W342-I394 HydrophobicContact CG-CD1 3.83Å; L344-I394 HydrophobicContact CB-CG2 3.94Å; I392-I394 HydrophobicContact CG2-CD1 3.59Å; I392-I394 HydrophobicContact CG2-CG1 4.17Å
395T96.3Very high93.6Very high28 Ų2846.2 Ų46.217%0.17222%0.221CC..EExtended strand (participates in β ladder)trans-89.2113.5171.1-55.50000110.1T302 W342 Y343 L344T302-T395 CarbonylContact O-C 3.57Å; T302-T395 VanDerWaalsContact O-CA 3.27Å; T302-T395 WeakPolarHBondContact O-CA 3.36Å; W342-T395 PolarHBondContact O-N 2.98Å; Y343-T395 WeakPolarHBondContact CA-O 3.25Å; Y343-T395 HydrophobicContact CD1-CG2 4.14Å; Y343-T395 HydrophobicContact CE1-CG2 4.36Å; L344-T395 PolarHBondContact N-O 3.33Å
396D96Very high92.9Very high4 Ų447.3 Ų47.32%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-76.6159.9175.7-77-69.6000112.3R301 T302 Y303 F398 K412R301-D396 IonicContact CZ-OD1 2.85Å; R301-D396 IonicContact CZ-OD2 3.63Å; R301-D396 IonicContact NE-OD1 2.67Å; R301-D396 IonicContact NE-OD2 3.16Å; R301-D396 PolarHBondContact NE-OD2 2.83Å; R301-D396 IonicContact NH2-OD1 2.77Å; R301-D396 PolarHBondContact NH2-OD1 3.42Å; R301-D396 IonicContact NH2-OD2 2.77Å; R301-D396 PolarHBondContact NH2-OD2 3.38Å; T302-D396 PolarHBondContact O-N 2.86Å; Y303-D396 HydrophobicContact CD1-CB 3.67Å; Y303-D396 HydrophobicContact CE1-CB 3.49Å; Y303-D396 VanDerWaalsContact CE1-CB 3.49Å; D396-F398 PolarHBondContact O-N 2.94Å; D396-K412 HydrophobicContact CB-CG 4.34Å
397D95.2Very high92.4Very high16 Ų1651.1 Ų51.19%0.08624%0.242CC..  trans-80.379.4-171.6-153.2-2.4000114.3L344 K345 R346 M399 Y400 W401L344-D397 WeakPolarHBondContact O-CB 3.01Å; L344-D397 PolarHBondContact O-N 3.1Å; K345-D397 HydrophobicContact CD-CB 4.11Å; K345-D397 VanDerWaalsContact CD-CG 3.4Å; K345-D397 WeakPolarHBondContact CD-OD2 3.26Å; K345-D397 IonicContact NZ-OD1 2.8Å; K345-D397 PolarHBondContact NZ-OD1 3.37Å; R346-D397 HydrophobicContact CG-CB 4.4Å; R346-D397 PolarHBondContact N-OD2 2.94Å; D397-M399 VanDerWaalsContact C-N 3.27Å; D397-M399 PolarHBondContact O-N 3Å; D397-Y400 PolarHBondContact O-N 2.65Å; D397-W401 PolarHBondContact O-N 3.05Å
398F90.8Very high91.9Very high61 Ų6145.5 Ų45.527%0.26822%0.218SC..Hα-helixtrans-57.7-39.9-179.4-179.8-110.2000113Y303 D396 Y400 W401 K402 Y406Y303-F398 VanDerWaalsContact CD1-CA 3.42Å; Y303-F398 HydrophobicContact CD1-CB 3.66Å; Y303-F398 HydrophobicContact CD1-CD2 4.21Å; Y303-F398 HydrophobicContact CD1-CG 4.46Å; Y303-F398 HydrophobicContact CG-CB 4.1Å; Y303-F398 AromaticContact CG-CD2 4Å; Y303-F398 HydrophobicContact CG-CD2 4Å; D396-F398 PolarHBondContact O-N 2.94Å; F398-Y400 VanDerWaalsContact C-N 3.34Å; F398-Y400 PolarHBondContact O-N 3.16Å; F398-W401 HydrophobicContact CD2-CE3 4.08Å; F398-W401 HydrophobicContact CE2-CE3 4.31Å; F398-W401 PolarHBondContact O-N 3.35Å; F398-K402 HydrophobicContact CE1-CD 4.09Å; F398-K402 HydrophobicContact CZ-CD 4.44Å; F398-K402 VanDerWaalsContact O-CB 3.28Å; F398-K402 WeakPolarHBondContact O-CB 3.34Å; F398-K402 PolarHBondContact O-N 3.01Å; F398-Y406 HydrophobicContact CE2-CE1 4.11Å; F398-Y406 HydrophobicContact CZ-CE1 4.46Å
399M91.3Very high91.6Very high96 Ų9648 Ų4847%0.47323%0.227SC..Hα-helixtrans-66.5-39.7-177.7-69.4-59.5174.600111.3D397 K402 Q403D397-M399 VanDerWaalsContact C-N 3.27Å; D397-M399 PolarHBondContact O-N 3Å; M399-K402 PolarHBondContact O-N 3.12Å; M399-Q403 WeakPolarHBondContact O-CB 3.38Å; M399-Q403 WeakPolarHBondContact O-CG 3.09Å; M399-Q403 PolarHBondContact O-N 3.2Å
400Y94.2Very high91.4Very high22 Ų2243.5 Ų43.59%0.08621%0.205CC..Hα-helixtrans-64.2-47.1173.7-176.4-93.1000111.3R346 E348 D397 F398 K402 Q403 H404R346-Y400 HydrophobicContact CB-CD1 3.39Å; R346-Y400 HydrophobicContact CB-CD2 3.84Å; R346-Y400 HydrophobicContact CB-CE1 3.56Å; R346-Y400 HydrophobicContact CB-CE2 4.03Å; R346-Y400 HydrophobicContact CB-CG 3.52Å; R346-Y400 HydrophobicContact CG-CD1 4.02Å; R346-Y400 HydrophobicContact CG-CE1 4.24Å; R346-Y400 HydrophobicContact CG-CG 4.49Å; E348-Y400 HydrophobicContact CG-CE2 4.41Å; E348-Y400 WeakPolarHBondContact OE1-CE2 3.14Å; E348-Y400 PolarHBondContact OE1-OH 2.87Å; D397-Y400 PolarHBondContact O-N 2.65Å; F398-Y400 VanDerWaalsContact C-N 3.34Å; F398-Y400 PolarHBondContact O-N 3.16Å; Y400-K402 VanDerWaalsContact C-N 3.32Å; Y400-K402 PolarHBondContact O-N 3.21Å; Y400-Q403 PolarHBondContact O-N 2.88Å; Y400-H404 AromaticContact CD1-ND1 3.92Å; Y400-H404 AromaticContact CD2-CE1 3.63Å; Y400-H404 AromaticContact CD2-ND1 3.84Å; Y400-H404 AromaticContact CE1-ND1 3.88Å; Y400-H404 AromaticContact CE2-CE1 3.3Å; Y400-H404 WeakPolarHBondContact CE2-CE1 3.21Å; Y400-H404 AromaticContact CE2-ND1 3.77Å; Y400-H404 AromaticContact CG-ND1 3.91Å; Y400-H404 AromaticContact CZ-CE1 3.63Å; Y400-H404 AromaticContact CZ-ND1 3.79Å; Y400-H404 PolarHBondContact O-N 2.75Å; Y400-H404 PolarHBondContact O-ND1 2.87Å
401W90.4Very high91.3Very high27 Ų2743.6 Ų43.610%0.10221%0.205CC..Hα-helixtrans-58.6-43.2176.7-172.240.4000112.1Y303 D397 F398 H404 Y406 S410 V441Y303-W401 HydrophobicContact CD1-CE3 4.49Å; Y303-W401 AromaticContact CD2-CE3 3.78Å; Y303-W401 HydrophobicContact CD2-CE3 3.78Å; Y303-W401 AromaticContact CD2-CZ3 3.68Å; Y303-W401 HydrophobicContact CD2-CZ3 3.68Å; Y303-W401 HydrophobicContact CE1-CB 4.33Å; Y303-W401 HydrophobicContact CE1-CE3 4.09Å; Y303-W401 HydrophobicContact CE2-CD2 4.05Å; Y303-W401 AromaticContact CE2-CE3 3.32Å; Y303-W401 HydrophobicContact CE2-CE3 3.32Å; Y303-W401 HydrophobicContact CE2-CH2 4.19Å; Y303-W401 AromaticContact CE2-CZ3 3.4Å; Y303-W401 HydrophobicContact CE2-CZ3 3.4Å; Y303-W401 HydrophobicContact CG-CE3 4.34Å; Y303-W401 AromaticContact CZ-CD2 3.87Å; Y303-W401 AromaticContact CZ-CE3 3.49Å; Y303-W401 VanDerWaalsContact CZ-CE3 3.49Å; D397-W401 PolarHBondContact O-N 3.05Å; F398-W401 HydrophobicContact CD2-CE3 4.08Å; F398-W401 HydrophobicContact CE2-CE3 4.31Å; F398-W401 PolarHBondContact O-N 3.35Å; W401-H404 CarbonylContact O-C 3.51Å; W401-H404 PolarHBondContact O-N 3.34Å; W401-Y406 AromaticContact CD2-CD1 3.64Å; W401-Y406 HydrophobicContact CD2-CD1 3.64Å; W401-Y406 HydrophobicContact CD2-CE1 4.41Å; W401-Y406 AromaticContact CE2-CD1 3.71Å; W401-Y406 AromaticContact CE3-CD1 3.81Å; W401-Y406 HydrophobicContact CE3-CD1 3.81Å; W401-Y406 HydrophobicContact CE3-CE1 4.21Å; W401-Y406 HydrophobicContact CG-CD1 4.17Å; W401-Y406 HydrophobicContact CH2-CD1 4.1Å; W401-Y406 AromaticContact CZ2-CD1 3.93Å; W401-Y406 HydrophobicContact CZ2-CD1 3.93Å; W401-Y406 HydrophobicContact CZ2-CG 4.44Å; W401-Y406 HydrophobicContact CZ3-CD1 4.04Å; W401-Y406 HydrophobicContact CZ3-CE1 4.44Å; W401-Y406 VanDerWaalsContact NE1-CA 3.26Å; W401-Y406 PolarHBondContact NE1-O 3.02Å; W401-Y406 WeakPolarHBondContact O-CA 3.5Å; W401-Y406 PolarHBondContact O-N 2.65Å; W401-S410 WeakPolarHBondContact CB-O 3.28Å; W401-V441 HydrophobicContact CH2-CG1 4.04Å; W401-V441 HydrophobicContact CZ2-CG1 3.93Å
402K86.1Confident91.2Very high62 Ų6243.7 Ų43.727%0.2721%0.206SC..Hα-helixtrans-63.3-45176.4-179.8178.6178.8178.90112.7T178 F398 M399 Y400 H404 N405 Y406T178-K402 HydrophobicContact CG2-CG 4.45Å; T178-K402 WeakPolarHBondContact OG1-CE 3.33Å; F398-K402 HydrophobicContact CE1-CD 4.09Å; F398-K402 HydrophobicContact CZ-CD 4.44Å; F398-K402 VanDerWaalsContact O-CB 3.28Å; F398-K402 WeakPolarHBondContact O-CB 3.34Å; F398-K402 PolarHBondContact O-N 3.01Å; M399-K402 PolarHBondContact O-N 3.12Å; Y400-K402 VanDerWaalsContact C-N 3.32Å; Y400-K402 PolarHBondContact O-N 3.21Å; K402-H404 PolarHBondContact O-N 3.05Å; K402-N405 PolarHBondContact O-N 3.39Å; K402-Y406 HydrophobicContact CB-CE1 4.22Å
403Q90.3Very high91.1Very high143 Ų14343.6 Ų43.667%0.66821%0.205SC*.Hα-helixtrans-62.6-24.1178.9-76.8170.7-0.100112.8M399 Y400M399-Q403 WeakPolarHBondContact O-CB 3.38Å; M399-Q403 WeakPolarHBondContact O-CG 3.09Å; M399-Q403 PolarHBondContact O-N 3.2Å; Y400-Q403 PolarHBondContact O-N 2.88Å
404H88.5Confident91.1Very high55 Ų5543 Ų4326%0.25520%0.202SC..THydrogen-bonded Turntrans-10330.7179.3-64.991000112.5E348 Y400 W401 K402 Y406 H407 S410E348-H404 IonicContact OE1-CD2 3.25Å; E348-H404 IonicContact OE1-CE1 3.01Å; E348-H404 PolarHBondContact OE1-CE1 3.2Å; E348-H404 IonicContact OE1-NE2 2.76Å; E348-H404 PolarHBondContact OE1-NE2 2.72Å; Y400-H404 AromaticContact CD1-ND1 3.92Å; Y400-H404 AromaticContact CD2-CE1 3.63Å; Y400-H404 AromaticContact CD2-ND1 3.84Å; Y400-H404 AromaticContact CE1-ND1 3.88Å; Y400-H404 AromaticContact CE2-CE1 3.3Å; Y400-H404 WeakPolarHBondContact CE2-CE1 3.21Å; Y400-H404 AromaticContact CE2-ND1 3.77Å; Y400-H404 AromaticContact CG-ND1 3.91Å; Y400-H404 AromaticContact CZ-CE1 3.63Å; Y400-H404 AromaticContact CZ-ND1 3.79Å; Y400-H404 PolarHBondContact O-N 2.75Å; Y400-H404 PolarHBondContact O-ND1 2.87Å; W401-H404 CarbonylContact O-C 3.51Å; W401-H404 PolarHBondContact O-N 3.34Å; K402-H404 PolarHBondContact O-N 3.05Å; H404-Y406 PolarHBondContact O-N 3.33Å; H404-Y406 VanDerWaalsContact O-N 3.09Å; H404-H407 VanDerWaalsContact O-CB 3.24Å; H404-H407 WeakPolarHBondContact O-CB 3.42Å; H404-H407 PolarHBondContact O-N 3.29Å; H404-S410 VanDerWaalsContact CB-OG 3.23Å; H404-S410 WeakPolarHBondContact CB-OG 3.26Å
405N83.1Confident91.1Very high140 Ų14043 Ų4375%0.74920%0.202SC*.THydrogen-bonded Turntrans53.833.5174.7-58.5-44.7000114K402 H407K402-N405 PolarHBondContact O-N 3.39Å; N405-H407 PolarHBondContact O-N 2.94Å
406Y81.6Confident91Very high28 Ų2841.8 Ų41.811%0.1119%0.194CC..THydrogen-bonded Turntrans59.920.5-177.9-51.4-74.8000115.3T178 F398 W401 K402 H404T178-Y406 WeakPolarHBondContact CB-OH 3.39Å; T178-Y406 HydrophobicContact CG2-CD2 4.48Å; T178-Y406 HydrophobicContact CG2-CE2 3.37Å; T178-Y406 WeakPolarHBondContact CG2-OH 3.42Å; F398-Y406 HydrophobicContact CE2-CE1 4.11Å; F398-Y406 HydrophobicContact CZ-CE1 4.46Å; W401-Y406 AromaticContact CD2-CD1 3.64Å; W401-Y406 HydrophobicContact CD2-CD1 3.64Å; W401-Y406 HydrophobicContact CD2-CE1 4.41Å; W401-Y406 AromaticContact CE2-CD1 3.71Å; W401-Y406 AromaticContact CE3-CD1 3.81Å; W401-Y406 HydrophobicContact CE3-CD1 3.81Å; W401-Y406 HydrophobicContact CE3-CE1 4.21Å; W401-Y406 HydrophobicContact CG-CD1 4.17Å; W401-Y406 HydrophobicContact CH2-CD1 4.1Å; W401-Y406 AromaticContact CZ2-CD1 3.93Å; W401-Y406 HydrophobicContact CZ2-CD1 3.93Å; W401-Y406 HydrophobicContact CZ2-CG 4.44Å; W401-Y406 HydrophobicContact CZ3-CD1 4.04Å; W401-Y406 HydrophobicContact CZ3-CE1 4.44Å; W401-Y406 VanDerWaalsContact NE1-CA 3.26Å; W401-Y406 PolarHBondContact NE1-O 3.02Å; W401-Y406 WeakPolarHBondContact O-CA 3.5Å; W401-Y406 PolarHBondContact O-N 2.65Å; K402-Y406 HydrophobicContact CB-CE1 4.22Å; H404-Y406 PolarHBondContact O-N 3.33Å; H404-Y406 VanDerWaalsContact O-N 3.09Å
407H85.8Confident90.8Very high85 Ų8541.7 Ų41.739%0.39419%0.194SC..  trans-60.5141177.8-169.2-86.6000110.8H404 N405 K409 S410H404-H407 VanDerWaalsContact O-CB 3.24Å; H404-H407 WeakPolarHBondContact O-CB 3.42Å; H404-H407 PolarHBondContact O-N 3.29Å; N405-H407 PolarHBondContact O-N 2.94Å; H407-K409 WeakPolarHBondContact ND1-CB 3.2Å; H407-K409 PolarHBondContact ND1-N 3.39Å; H407-K409 VanDerWaalsContact ND1-N 3.18Å; H407-K409 PolarHBondContact O-N 3.31Å; H407-S410 PolarHBondContact O-N 2.97Å; H407-S410 PolarHBondContact O-OG 2.98Å
408Y86.6Confident90.7Very high25 Ų2541.1 Ų41.110%0.09819%0.191CC..G310 helixtrans-58.9-33.7-176.477.2-82.3000113.9S410 S411 N440 D443 M481Y408-S410 PolarHBondContact O-N 3.01Å; Y408-S411 VanDerWaalsContact O-CB 3.31Å; Y408-S411 WeakPolarHBondContact O-CB 3.48Å; Y408-S411 PolarHBondContact O-N 3.48Å; Y408-S411 PolarHBondContact O-OG 2.96Å; Y408-N440 VanDerWaalsContact CA-O 3.3Å; Y408-N440 WeakPolarHBondContact CA-O 3.16Å; Y408-N440 WeakPolarHBondContact CB-O 3.49Å; Y408-N440 HydrophobicContact CG-CB 4.46Å; Y408-D443 WeakPolarHBondContact O-CB 3.5Å; Y408-M481 HydrophobicContact CD1-CE 3.13Å; Y408-M481 HydrophobicContact CD1-SD 4.07Å; Y408-M481 HydrophobicContact CD2-CE 3.82Å; Y408-M481 HydrophobicContact CD2-SD 3.83Å; Y408-M481 HydrophobicContact CE1-CE 3.49Å; Y408-M481 VanDerWaalsContact CE1-CE 3.49Å; Y408-M481 HydrophobicContact CE1-CG 4.13Å; Y408-M481 HydrophobicContact CE1-SD 4Å; Y408-M481 HydrophobicContact CE2-CE 4.13Å; Y408-M481 HydrophobicContact CE2-CG 4.45Å; Y408-M481 HydrophobicContact CE2-SD 3.78Å; Y408-M481 HydrophobicContact CG-CE 3.29Å; Y408-M481 HydrophobicContact CG-SD 3.97Å
409K89.2Confident90.6Very high102 Ų10241.1 Ų41.144%0.44319%0.194SC..G310 helixtrans-62.5-9.3174.4-67.8-175.4176.5-176.50114.8R346 H407R346-K409 PolarHBondContact NH1-O 2.88Å; R346-K409 PolarHBondContact NH2-O 3.41Å; H407-K409 WeakPolarHBondContact ND1-CB 3.2Å; H407-K409 PolarHBondContact ND1-N 3.39Å; H407-K409 VanDerWaalsContact ND1-N 3.18Å; H407-K409 PolarHBondContact O-N 3.31Å
410S90.7Very high90.6Very high4 Ų436.8 Ų36.83%0.02817%0.173CC..G310 helixtrans-112.86.2173.559.50000113R346 W401 H404 H407 Y408R346-S410 VanDerWaalsContact NH1-C 3.25Å; R346-S410 VanDerWaalsContact NH1-CA 3.28Å; W401-S410 WeakPolarHBondContact CB-O 3.28Å; H404-S410 VanDerWaalsContact CB-OG 3.23Å; H404-S410 WeakPolarHBondContact CB-OG 3.26Å; H407-S410 PolarHBondContact O-N 2.97Å; H407-S410 PolarHBondContact O-OG 2.98Å; Y408-S410 PolarHBondContact O-N 3.01Å
411S92.4Very high90.4Very high1 Ų139.7 Ų39.71%0.00719%0.186CC..SBendtrans-82.5-162.4179.980.30000112.3Y303 R346 Y408 P413 V441 I442 D443Y303-S411 VanDerWaalsContact OH-CA 3.31Å; Y303-S411 WeakPolarHBondContact OH-CA 3.34Å; R346-S411 PolarHBondContact NH1-O 3.41Å; Y408-S411 VanDerWaalsContact O-CB 3.31Å; Y408-S411 WeakPolarHBondContact O-CB 3.48Å; Y408-S411 PolarHBondContact O-N 3.48Å; Y408-S411 PolarHBondContact O-OG 2.96Å; S411-P413 VanDerWaalsContact O-CD 3.28Å; S411-P413 WeakPolarHBondContact O-CD 3.49Å; S411-V441 VanDerWaalsContact CB-C 3.42Å; S411-V441 WeakPolarHBondContact CB-O 3.32Å; S411-V441 PolarHBondContact OG-O 3.12Å; S411-I442 WeakPolarHBondContact OG-CA 3.48Å; S411-I442 PolarHBondContact OG-N 3.34Å; S411-I442 VanDerWaalsContact OG-N 3.14Å; S411-D443 PolarHBondContact OG-N 3.14Å
412K95.1Very high90.6Very high2 Ų245.6 Ų45.61%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-65.6116.2-179.1-60.8178.3-175.11610110.8D15 R301 Y303 D396 D429 V441 D443D15-K412 VanDerWaalsContact CB-NZ 3.34Å; D15-K412 VanDerWaalsContact CG-NZ 3.26Å; D15-K412 IonicContact OD1-NZ 3.43Å; D15-K412 PolarHBondContact OD1-NZ 3.48Å; R301-K412 HydrophobicContact CB-CD 4.25Å; Y303-K412 HydrophobicContact CE2-CG 4.13Å; Y303-K412 PolarHBondContact OH-N 2.97Å; D396-K412 HydrophobicContact CB-CG 4.34Å; K412-D429 IonicContact NZ-OD2 2.72Å; K412-D429 PolarHBondContact NZ-OD2 3.18Å; K412-V441 PolarHBondContact N-O 3.11Å; K412-D443 PolarHBondContact O-N 3.45Å
413P95.9Very high91Very high1 Ų143.2 Ų43.21%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-73.5145.1174.633-37.3000111.1R301 L344 F353 S411 W415 D443 Y445R301-P413 PolarHBondContact NH1-O 3.35Å; R301-P413 PolarHBondContact NH2-O 2.88Å; L344-P413 HydrophobicContact CD2-CG 3.43Å; L344-P413 VanDerWaalsContact CD2-CG 3.43Å; L344-P413 HydrophobicContact CG-CG 4.37Å; F353-P413 HydrophobicContact CD1-CB 4.41Å; F353-P413 HydrophobicContact CD1-CG 4.12Å; F353-P413 HydrophobicContact CE1-CB 3.69Å; F353-P413 HydrophobicContact CE1-CG 3.82Å; F353-P413 HydrophobicContact CZ-CB 4.28Å; S411-P413 VanDerWaalsContact O-CD 3.28Å; S411-P413 WeakPolarHBondContact O-CD 3.49Å; P413-W415 HydrophobicContact CB-CH2 3.77Å; P413-W415 HydrophobicContact CB-CZ2 3.78Å; P413-W415 HydrophobicContact CB-CZ3 4.26Å; P413-W415 HydrophobicContact CG-CH2 3.6Å; P413-W415 HydrophobicContact CG-CZ2 4.08Å; P413-W415 HydrophobicContact CG-CZ3 4.12Å; P413-D443 CarbonylContact C-O 3.58Å; P413-D443 VanDerWaalsContact CA-O 3.26Å; P413-D443 WeakPolarHBondContact CA-O 3.35Å; P413-Y445 HydrophobicContact CB-CD2 4.37Å; P413-Y445 HydrophobicContact CB-CE2 4.1Å
414L96.8Very high91.4Very high0 Ų036.4 Ų36.40%017%0.168CC..EExtended strand (participates in β ladder)trans-137.4122.6168.7-178.573.1000109.6H425 L427 I442 D443 L444 Y445 Y491L414-H425 HydrophobicContact CD1-CB 4.16Å; L414-L427 HydrophobicContact CD2-CB 3.94Å; L414-I442 HydrophobicContact CB-CD1 4.5Å; L414-I442 HydrophobicContact CB-CG1 4.47Å; L414-I442 HydrophobicContact CD2-CD1 4.13Å; L414-D443 PolarHBondContact N-O 3.38Å; L414-L444 HydrophobicContact CB-CD2 3.92Å; L414-L444 HydrophobicContact CD2-CD2 3.87Å; L414-L444 HydrophobicContact CG-CD2 4.27Å; L414-Y445 PolarHBondContact O-N 3.03Å; L414-Y491 VanDerWaalsContact CD2-O 3.23Å; L414-Y491 WeakPolarHBondContact CD2-O 3.44Å
415W96Very high91.8Very high2 Ų233.9 Ų33.91%0.00816%0.156CC..EExtended strand (participates in β ladder)trans-100.8139.9175.7-56.5-88.9000111L344 F353 P378 I381 Y382 W385 P413 Y445 F447L344-W415 HydrophobicContact CD1-CH2 4.39Å; L344-W415 HydrophobicContact CD2-CH2 4.09Å; L344-W415 HydrophobicContact CD2-CZ3 4.26Å; F353-W415 HydrophobicContact CB-CZ2 4.43Å; F353-W415 AromaticContact CD1-CH2 3.93Å; F353-W415 HydrophobicContact CD1-CH2 3.93Å; F353-W415 AromaticContact CD1-CZ2 3.65Å; F353-W415 HydrophobicContact CD1-CZ2 3.65Å; F353-W415 AromaticContact CD2-CZ2 3.81Å; F353-W415 HydrophobicContact CD2-CZ2 3.81Å; F353-W415 HydrophobicContact CE1-CH2 4.28Å; F353-W415 AromaticContact CE1-CZ2 3.73Å; F353-W415 HydrophobicContact CE1-CZ2 3.73Å; F353-W415 AromaticContact CE2-CZ2 3.88Å; F353-W415 HydrophobicContact CE2-CZ2 3.88Å; F353-W415 HydrophobicContact CG-CH2 4.14Å; F353-W415 AromaticContact CG-CZ2 3.68Å; F353-W415 HydrophobicContact CG-CZ2 3.68Å; F353-W415 AromaticContact CZ-CZ2 3.84Å; F353-W415 HydrophobicContact CZ-CZ2 3.84Å; P378-W415 HydrophobicContact CB-CD2 4.49Å; P378-W415 HydrophobicContact CB-CZ2 4.24Å; P378-W415 HydrophobicContact CG-CZ2 4.39Å; I381-W415 HydrophobicContact CG2-CE3 4.39Å; I381-W415 HydrophobicContact CG2-CH2 4.34Å; I381-W415 HydrophobicContact CG2-CZ3 3.82Å; Y382-W415 HydrophobicContact CD2-CB 4.25Å; W385-W415 AromaticContact CH2-CZ3 3.88Å; W385-W415 HydrophobicContact CH2-CZ3 3.88Å; W385-W415 HydrophobicContact CZ3-CE3 4.11Å; W385-W415 AromaticContact CZ3-CZ3 3.89Å; W385-W415 HydrophobicContact CZ3-CZ3 3.89Å; P413-W415 HydrophobicContact CB-CH2 3.77Å; P413-W415 HydrophobicContact CB-CZ2 3.78Å; P413-W415 HydrophobicContact CB-CZ3 4.26Å; P413-W415 HydrophobicContact CG-CH2 3.6Å; P413-W415 HydrophobicContact CG-CZ2 4.08Å; P413-W415 HydrophobicContact CG-CZ3 4.12Å; W415-Y445 WeakPolarHBondContact CA-O 3.34Å; W415-Y445 AromaticContact CD1-CG 3.82Å; W415-Y445 AromaticContact NE1-CD2 3.7Å; W415-Y445 AromaticContact NE1-CG 3.65Å; W415-F447 HydrophobicContact CB-CD2 4.43Å; W415-F447 HydrophobicContact CB-CE2 3.5Å; W415-F447 HydrophobicContact CB-CZ 3.67Å; W415-F447 HydrophobicContact CG-CE2 4.33Å; W415-F447 HydrophobicContact CG-CZ 4Å
416F95.1Very high92.5Very high1 Ų127.2 Ų27.20%0.00412%0.12CC..EExtended strand (participates in β ladder)trans-148.6163.5177.967.5-88.8000113.1P418 L444 Y445 Q446 F447 L479 W487 Y491F416-P418 HydrophobicContact CD2-CG 4Å; F416-P418 HydrophobicContact CE2-CG 3.77Å; F416-L444 HydrophobicContact CD1-CD2 4.36Å; F416-L444 HydrophobicContact CE1-CB 4.23Å; F416-L444 HydrophobicContact CE1-CD1 4.37Å; F416-L444 HydrophobicContact CE1-CD2 4.14Å; F416-L444 HydrophobicContact CE1-CG 4.5Å; F416-Y445 WeakPolarHBondContact CD1-O 3.41Å; F416-Y445 PolarHBondContact N-O 3.38Å; F416-Q446 HydrophobicContact CE2-CB 4.18Å; F416-Q446 HydrophobicContact CE2-CG 4.16Å; F416-Q446 HydrophobicContact CZ-CB 4.05Å; F416-F447 WeakPolarHBondContact O-CD2 3.13Å; F416-F447 PolarHBondContact O-N 3.16Å; F416-L479 HydrophobicContact CE1-CD1 4.01Å; F416-L479 HydrophobicContact CZ-CD1 3.69Å; F416-W487 AromaticContact CE2-CD2 3.76Å; F416-W487 HydrophobicContact CE2-CD2 3.76Å; F416-W487 AromaticContact CE2-CE2 3.69Å; F416-W487 HydrophobicContact CE2-CE3 4.05Å; F416-W487 HydrophobicContact CE2-CG 4.26Å; F416-W487 HydrophobicContact CE2-CH2 4.23Å; F416-W487 AromaticContact CE2-CZ2 3.93Å; F416-W487 HydrophobicContact CE2-CZ2 3.93Å; F416-W487 HydrophobicContact CE2-CZ3 4.28Å; F416-W487 AromaticContact CZ-CD1 3.76Å; F416-W487 AromaticContact CZ-CD2 3.78Å; F416-W487 HydrophobicContact CZ-CD2 3.78Å; F416-W487 AromaticContact CZ-CE2 3.71Å; F416-W487 HydrophobicContact CZ-CE3 4.49Å; F416-W487 AromaticContact CZ-CG 3.8Å; F416-W487 HydrophobicContact CZ-CG 3.8Å; F416-W487 HydrophobicContact CZ-CZ2 4.34Å; F416-W487 AromaticContact CZ-NE1 3.69Å; F416-Y491 HydrophobicContact CB-CD1 3.56Å; F416-Y491 HydrophobicContact CB-CD2 4.27Å; F416-Y491 HydrophobicContact CB-CE1 3.61Å; F416-Y491 HydrophobicContact CB-CE2 4.29Å; F416-Y491 HydrophobicContact CB-CG 3.93Å; F416-Y491 HydrophobicContact CD1-CD2 4.26Å; F416-Y491 HydrophobicContact CD1-CG 4.22Å; F416-Y491 HydrophobicContact CD2-CD1 4.19Å; F416-Y491 AromaticContact CD2-CD2 3.37Å; F416-Y491 HydrophobicContact CD2-CD2 3.37Å; F416-Y491 HydrophobicContact CD2-CE1 4.03Å; F416-Y491 AromaticContact CD2-CE2 3.13Å; F416-Y491 HydrophobicContact CD2-CE2 3.13Å; F416-Y491 AromaticContact CD2-CG 3.91Å; F416-Y491 HydrophobicContact CD2-CG 3.91Å; F416-Y491 AromaticContact CD2-CZ 3.5Å; F416-Y491 HydrophobicContact CE1-CD2 4.43Å; F416-Y491 AromaticContact CE2-CD2 3.59Å; F416-Y491 HydrophobicContact CE2-CD2 3.59Å; F416-Y491 AromaticContact CE2-CE2 3.5Å; F416-Y491 HydrophobicContact CE2-CE2 3.5Å; F416-Y491 VanDerWaalsContact CE2-CE2 3.5Å; F416-Y491 HydrophobicContact CE2-CG 4.44Å; F416-Y491 AromaticContact CG-CD1 3.93Å; F416-Y491 HydrophobicContact CG-CD1 3.93Å; F416-Y491 AromaticContact CG-CD2 3.72Å; F416-Y491 HydrophobicContact CG-CD2 3.72Å; F416-Y491 HydrophobicContact CG-CE1 4.09Å; F416-Y491 AromaticContact CG-CE2 3.86Å; F416-Y491 HydrophobicContact CG-CE2 3.86Å; F416-Y491 AromaticContact CG-CG 3.76Å; F416-Y491 HydrophobicContact CG-CG 3.76Å; F416-Y491 HydrophobicContact CZ-CD2 4.1Å; F416-Y491 HydrophobicContact CZ-CE2 4.44Å
417N91.9Very high93.3Very high3 Ų325.9 Ų25.92%0.01612%0.115CC..  trans-130.4112.5172.6173.117.4000110.1N419 D420 F452 Y491N417-N419 PolarHBondContact O-N 2.88Å; N417-N419 VanDerWaalsContact O-N 3.13Å; N417-N419 WeakPolarHBondContact OD1-CB 3.13Å; N417-N419 PolarHBondContact OD1-N 2.59Å; N417-D420 HydrophobicContact CB-CB 4.14Å; N417-D420 PolarHBondContact ND2-N 2.85Å; N417-D420 WeakPolarHBondContact O-CB 3.47Å; N417-D420 PolarHBondContact O-N 3.46Å; N417-D420 VanDerWaalsContact O-N 3.08Å; N417-F452 HydrophobicContact CB-CD2 4.18Å; N417-F452 HydrophobicContact CB-CE1 4.5Å; N417-F452 HydrophobicContact CB-CE2 3.51Å; N417-F452 HydrophobicContact CB-CZ 3.68Å; N417-F452 WeakPolarHBondContact ND2-CD2 3.46Å; N417-F452 WeakPolarHBondContact ND2-CE2 3.46Å; N417-F452 WeakPolarHBondContact ND2-CG 3.46Å; N417-Y491 PolarHBondContact O-OH 2.75Å; N417-Y491 VanDerWaalsContact O-OH 3.07Å
418P92Very high93.9Very high4 Ų421.9 Ų21.93%0.02610%0.096CC..THydrogen-bonded Turntrans-54.6-27.2174.8-29.439.3000114.8F416 Q446 W487 Y491 Q522 L525F416-P418 HydrophobicContact CD2-CG 4Å; F416-P418 HydrophobicContact CE2-CG 3.77Å; P418-Q446 HydrophobicContact CG-CG 4.25Å; P418-W487 HydrophobicContact CB-CH2 3.69Å; P418-W487 HydrophobicContact CB-CZ3 4.16Å; P418-W487 HydrophobicContact CG-CH2 3.25Å; P418-W487 HydrophobicContact CG-CZ2 3.77Å; P418-W487 HydrophobicContact CG-CZ3 3.9Å; P418-Y491 WeakPolarHBondContact CA-OH 3.31Å; P418-Q522 WeakPolarHBondContact O-CG 3.29Å; P418-Q522 PolarHBondContact O-NE2 2.89Å; P418-L525 HydrophobicContact CB-CD1 4.37Å
419N89.1Confident94.4Very high60 Ų6020.9 Ų20.932%0.3219%0.093SC..THydrogen-bonded Turntrans-90.3-3.7-178.2-64-56.3000113.9N417 K421 N449N417-N419 PolarHBondContact O-N 2.88Å; N417-N419 VanDerWaalsContact O-N 3.13Å; N417-N419 WeakPolarHBondContact OD1-CB 3.13Å; N417-N419 PolarHBondContact OD1-N 2.59Å; N419-K421 PolarHBondContact O-N 2.96Å; N419-N449 PolarHBondContact ND2-OD1 3.34Å
420D90.9Very high94.5Very high5 Ų516.7 Ų16.73%0.0278%0.075CC..  trans-71.1104.4177.2-163.9-27.5000109.7Y382 N417 Y422 I423 Q522Y382-D420 PolarHBondContact OH-OD2 3.34Å; N417-D420 HydrophobicContact CB-CB 4.14Å; N417-D420 PolarHBondContact ND2-N 2.85Å; N417-D420 WeakPolarHBondContact O-CB 3.47Å; N417-D420 PolarHBondContact O-N 3.46Å; N417-D420 VanDerWaalsContact O-N 3.08Å; D420-Y422 PolarHBondContact O-N 3.34Å; D420-Y422 WeakPolarHBondContact OD1-CA 3.16Å; D420-Y422 PolarHBondContact OD1-N 2.66Å; D420-I423 PolarHBondContact OD1-N 3.02Å; D420-Q522 PolarHBondContact O-NE2 2.95Å
421K90.9Very high94.3Very high83 Ų8319 Ų1936%0.3619%0.087SC..SBendtrans-80.7-6179.4-65.2-175.4-179.1-179.30112.6R8 N419 M526R8-K421 WeakPolarHBondContact CG-O 3.48Å; N419-K421 PolarHBondContact O-N 2.96Å; K421-M526 PolarHBondContact NZ-SD 3.23Å
422Y93.6Very high94.1Very high152 Ų15219 Ų1960%0.5969%0.087SC*.SBendtrans-118.6-26.5-168.8-57.3-70.1000113.4R8 K9 D420R8-Y422 CarbonylContact C-O 3.28Å; R8-Y422 VanDerWaalsContact C-O 3.28Å; R8-Y422 WeakPolarHBondContact CA-O 3.41Å; K9-Y422 PolarHBondContact N-O 2.96Å; D420-Y422 PolarHBondContact O-N 3.34Å; D420-Y422 WeakPolarHBondContact OD1-CA 3.16Å; D420-Y422 PolarHBondContact OD1-N 2.66Å
423I95.5Very high93.5Very high12 Ų1220 Ų206%0.0629%0.091CC..EExtended strand (participates in β ladder)trans-131.1138.2-178.9-63.7151.5000109.7K9 I11 D420 Y457K9-I423 HydrophobicContact CB-CG1 4.12Å; K9-I423 WeakPolarHBondContact O-CA 2.72Å; I11-I423 HydrophobicContact CG1-CG2 3.85Å; D420-I423 PolarHBondContact OD1-N 3.02Å; I423-Y457 HydrophobicContact CD1-CE1 4.01Å
424Q97.5Very high92.6Very high0 Ų022.2 Ų22.20%010%0.1CC..EExtended strand (participates in β ladder)trans-131.8124.3173.3-176.7171.43.400109.9K9 L10 I11 I426 I490 Y491 C514 L518K9-Q424 PolarHBondContact O-N 2.83Å; L10-Q424 HydrophobicContact CD2-CB 4.47Å; I11-Q424 PolarHBondContact N-O 3.42Å; Q424-I426 HydrophobicContact CG-CD1 4.33Å; Q424-I426 HydrophobicContact CG-CG1 3.98Å; Q424-I490 PolarHBondContact NE2-O 3.48Å; Q424-Y491 HydrophobicContact CG-CE1 4.34Å; Q424-C514 PolarHBondContact NE2-O 2.91Å; Q424-L518 HydrophobicContact CB-CD2 4.08Å; Q424-L518 VanDerWaalsContact CD-CD2 3.42Å; Q424-L518 HydrophobicContact CG-CD2 3.77Å
425H98.2Very high91.5Very high2 Ų223.5 Ų23.51%0.00911%0.106CC..EExtended strand (participates in β ladder)trans-89.7138170.5-73.1-137000109.5I11 H13 Y382 S386 L414 Y491I11-H425 HydrophobicContact CB-CB 4.45Å; I11-H425 WeakPolarHBondContact CG1-NE2 3.46Å; I11-H425 CarbonylContact O-C 3.55Å; I11-H425 WeakPolarHBondContact O-CA 3.38Å; H13-H425 AromaticContact NE2-CG 3.94Å; H13-H425 AromaticContact NE2-ND1 3.22Å; H13-H425 PolarHBondContact NE2-ND1 2.67Å; Y382-H425 AromaticContact CD2-CE1 3.77Å; Y382-H425 AromaticContact CD2-NE2 3.81Å; Y382-H425 AromaticContact CE2-CD2 3.65Å; Y382-H425 AromaticContact CE2-CE1 3.8Å; Y382-H425 AromaticContact CE2-NE2 3.41Å; Y382-H425 WeakPolarHBondContact CE2-NE2 3.48Å; S386-H425 PolarHBondContact OG-NE2 2.86Å; L414-H425 HydrophobicContact CD1-CB 4.16Å; H425-Y491 VanDerWaalsContact O-CD1 3.29Å; H425-Y491 WeakPolarHBondContact O-CD1 3.07Å
426I98.5Very high90.1Very high0 Ų032.2 Ų32.20%015%0.147CC..EExtended strand (participates in β ladder)trans-137.2118.6176.7-53.5171.4000108.8L10 I11 L12 H13 Q424 F428 Y491 V493 V511 C514L10-I426 HydrophobicContact CD2-CD1 4.28Å; I11-I426 PolarHBondContact O-N 3.2Å; L12-I426 CarbonylContact C-O 3.57Å; L12-I426 WeakPolarHBondContact CA-O 3.49Å; L12-I426 HydrophobicContact CD2-CB 4Å; L12-I426 HydrophobicContact CD2-CD1 4.08Å; L12-I426 HydrophobicContact CD2-CG1 4.35Å; H13-I426 PolarHBondContact N-O 3.04Å; Q424-I426 HydrophobicContact CG-CD1 4.33Å; Q424-I426 HydrophobicContact CG-CG1 3.98Å; I426-F428 HydrophobicContact CB-CE2 4.21Å; I426-F428 HydrophobicContact CG2-CD2 4.18Å; I426-F428 HydrophobicContact CG2-CE2 3.55Å; I426-F428 HydrophobicContact CG2-CZ 3.89Å; I426-Y491 CarbonylContact C-O 3.41Å; I426-Y491 VanDerWaalsContact CA-O 3.32Å; I426-Y491 WeakPolarHBondContact CA-O 3.48Å; I426-V493 HydrophobicContact CG2-CG2 4.16Å; I426-V511 HydrophobicContact CD1-CG2 4.44Å; I426-C514 HydrophobicContact CD1-CB 3.54Å; I426-C514 HydrophobicContact CG1-CB 4.2Å
427L98.3Very high88.8Confident0 Ų036.4 Ų36.40%017%0.17CC..EExtended strand (participates in β ladder)trans-95.5126.3173.8178.368.5000111.9H13 L414 D429 I442 Y491 Y492 V493H13-L427 HydrophobicContact CB-CB 4.1Å; H13-L427 HydrophobicContact CB-CD1 3.36Å; H13-L427 HydrophobicContact CB-CG 4.33Å; H13-L427 CarbonylContact O-C 3.56Å; H13-L427 WeakPolarHBondContact O-CA 3.36Å; L414-L427 HydrophobicContact CD2-CB 3.94Å; L427-D429 HydrophobicContact CG-CB 4.49Å; L427-I442 HydrophobicContact CD2-CB 4.36Å; L427-I442 HydrophobicContact CD2-CD1 3.7Å; L427-I442 HydrophobicContact CD2-CG1 3.81Å; L427-Y491 PolarHBondContact N-O 3.01Å; L427-Y492 CarbonylContact O-C 3.22Å; L427-Y492 WeakPolarHBondContact O-CA 3.29Å; L427-Y492 WeakPolarHBondContact O-CB 3.42Å; L427-V493 PolarHBondContact O-N 2.8Å
428F98.1Very high87.7Confident0 Ų037 Ų370%018%0.176CC..EExtended strand (participates in β ladder)trans-103.8121.4169.7-67-93.4000109.3L12 H13 F14 D15 T19 I426 V493 F507 K510 V511L12-F428 HydrophobicContact CD2-CE2 4.41Å; H13-F428 PolarHBondContact O-N 2.87Å; F14-F428 HydrophobicContact CD1-CB 3.69Å; F14-F428 HydrophobicContact CD1-CD2 4.07Å; F14-F428 HydrophobicContact CD1-CG 4.05Å; F14-F428 HydrophobicContact CE1-CB 3.88Å; F14-F428 HydrophobicContact CE1-CD1 4.46Å; F14-F428 AromaticContact CE1-CD2 3.56Å; F14-F428 HydrophobicContact CE1-CD2 3.56Å; F14-F428 HydrophobicContact CE1-CE2 4.22Å; F14-F428 AromaticContact CE1-CG 3.7Å; F14-F428 HydrophobicContact CE1-CG 3.7Å; F14-F428 HydrophobicContact CE2-CD2 4.4Å; F14-F428 HydrophobicContact CG-CB 4.48Å; F14-F428 AromaticContact CZ-CD2 3.74Å; F14-F428 HydrophobicContact CZ-CD2 3.74Å; F14-F428 HydrophobicContact CZ-CE2 4.07Å; F14-F428 HydrophobicContact CZ-CG 4.35Å; D15-F428 PolarHBondContact N-O 3.1Å; T19-F428 HydrophobicContact CG2-CB 3.94Å; I426-F428 HydrophobicContact CB-CE2 4.21Å; I426-F428 HydrophobicContact CG2-CD2 4.18Å; I426-F428 HydrophobicContact CG2-CE2 3.55Å; I426-F428 HydrophobicContact CG2-CZ 3.89Å; F428-V493 HydrophobicContact CD1-CB 3.65Å; F428-V493 HydrophobicContact CD1-CG1 3.93Å; F428-V493 HydrophobicContact CD1-CG2 4.19Å; F428-V493 HydrophobicContact CE1-CB 3.69Å; F428-V493 HydrophobicContact CE1-CG1 3.9Å; F428-V493 HydrophobicContact CE1-CG2 3.72Å; F428-V493 HydrophobicContact CG-CB 4.44Å; F428-V493 HydrophobicContact CZ-CB 4.48Å; F428-V493 HydrophobicContact CZ-CG2 4.13Å; F428-F507 AromaticContact CD1-CD1 3.76Å; F428-F507 HydrophobicContact CD1-CD1 3.76Å; F428-F507 AromaticContact CD1-CE1 3.98Å; F428-F507 HydrophobicContact CD1-CE1 3.98Å; F428-F507 AromaticContact CE1-CD1 3.83Å; F428-F507 HydrophobicContact CE1-CD1 3.83Å; F428-F507 HydrophobicContact CE1-CE1 4.49Å; F428-F507 HydrophobicContact CG-CD1 4.28Å; F428-F507 HydrophobicContact CG-CE1 4.34Å; F428-F507 HydrophobicContact CZ-CD1 4.41Å; F428-K510 HydrophobicContact CE1-CB 3.7Å; F428-K510 HydrophobicContact CE1-CG 4.44Å; F428-K510 HydrophobicContact CZ-CB 4.14Å; F428-V511 HydrophobicContact CE2-CG2 4.31Å; F428-V511 HydrophobicContact CZ-CG2 4Å
429D95.7Very high86.5Confident4 Ų438 Ų382%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-154.1134.3176-171.3-40.3000108.5D15 K412 L427 N431 I432 V441 V493 Q494 A495D15-D429 HydrophobicContact CB-CB 3.82Å; D15-D429 VanDerWaalsContact CB-CG 3.48Å; D15-D429 WeakPolarHBondContact CB-OD2 3.36Å; K412-D429 IonicContact NZ-OD2 2.72Å; K412-D429 PolarHBondContact NZ-OD2 3.18Å; L427-D429 HydrophobicContact CG-CB 4.49Å; D429-N431 PolarHBondContact O-N 3.03Å; D429-N431 PolarHBondContact OD1-N 3.18Å; D429-I432 HydrophobicContact CB-CD1 3.92Å; D429-I432 HydrophobicContact CB-CG1 3.86Å; D429-V441 HydrophobicContact CB-CG2 4.15Å; D429-V441 WeakPolarHBondContact OD1-CG2 3.43Å; D429-V441 WeakPolarHBondContact OD2-CG2 3.32Å; D429-V493 PolarHBondContact N-O 3.03Å; D429-Q494 WeakPolarHBondContact O-CA 3.35Å; D429-A495 PolarHBondContact O-N 3.35Å
430D91.8Very high86.1Confident14 Ų1435.2 Ų35.28%0.07517%0.169CC..THydrogen-bonded Turntrans-72.9-22.7-175.973.3-49.9000112.2N18 T19 Y38 A495N18-D430 HydrophobicContact CB-CB 4.1Å; N18-D430 VanDerWaalsContact CB-CG 3.48Å; N18-D430 WeakPolarHBondContact CB-OD2 3.27Å; N18-D430 PolarHBondContact ND2-OD2 3.29Å; T19-D430 PolarHBondContact OG1-N 3.3Å; Y38-D430 HydrophobicContact CE2-CB 4.49Å; D430-A495 WeakPolarHBondContact CA-O 3.41Å; D430-A495 HydrophobicContact CB-CB 4.35Å; D430-A495 WeakPolarHBondContact CB-O 3.37Å
431N87Confident85.9Confident54 Ų5435.2 Ų35.229%0.28917%0.169SC..THydrogen-bonded Turntrans-10019-173-159.138.9000113.3D429 R433 V441D429-N431 PolarHBondContact O-N 3.03Å; D429-N431 PolarHBondContact OD1-N 3.18Å; N431-R433 PolarHBondContact O-N 2.77Å; N431-R433 PolarHBondContact OD1-NE 3.02Å; N431-R433 VanDerWaalsContact OD1-NE 3.08Å; N431-V441 VanDerWaalsContact C-CG2 3.41Å; N431-V441 HydrophobicContact CB-CG1 3.76Å; N431-V441 HydrophobicContact CB-CG2 4.09Å; N431-V441 WeakPolarHBondContact ND2-CG1 3.48Å; N431-V441 WeakPolarHBondContact O-CG2 3.45Å
432I88.9Confident85.9Confident0 Ų031.4 Ų31.40%015%0.152CC..  trans-74.3106.3170.5-60.1174000108.6D429 F434 N440 V441 I442 Y492 Q494D429-I432 HydrophobicContact CB-CD1 3.92Å; D429-I432 HydrophobicContact CB-CG1 3.86Å; I432-F434 HydrophobicContact CG2-CE2 3.78Å; I432-F434 HydrophobicContact CG2-CZ 4.28Å; I432-N440 VanDerWaalsContact CA-OD1 3.26Å; I432-N440 WeakPolarHBondContact CA-OD1 3.39Å; I432-N440 WeakPolarHBondContact CG2-OD1 3.29Å; I432-V441 HydrophobicContact CG1-CG2 3.75Å; I432-I442 HydrophobicContact CD1-CD1 4.4Å; I432-I442 HydrophobicContact CG1-CB 4.46Å; I432-I442 HydrophobicContact CG1-CG2 4.46Å; I432-I442 HydrophobicContact CG2-CG2 4Å; I432-Y492 HydrophobicContact CD1-CD2 3.68Å; I432-Y492 HydrophobicContact CD1-CG 4.09Å; I432-Y492 HydrophobicContact CG2-CD2 3.71Å; I432-Y492 HydrophobicContact CG2-CE2 3.58Å; I432-Q494 HydrophobicContact CB-CB 4.46Å; I432-Q494 VanDerWaalsContact O-CD 3.32Å; I432-Q494 WeakPolarHBondContact O-CG 3.43Å; I432-Q494 PolarHBondContact O-NE2 3.08Å
433R80.7Confident85.9Confident23 Ų2324.1 Ų24.19%0.08712%0.124CC..  trans-138135.1-174.9-61.1171-175.3-84.5-12.9109.5I156 N431 E435 N440I156-R433 PolarHBondContact O-NH1 2.9Å; N431-R433 PolarHBondContact O-N 2.77Å; N431-R433 PolarHBondContact OD1-NE 3.02Å; N431-R433 VanDerWaalsContact OD1-NE 3.08Å; R433-E435 HydrophobicContact CB-CG 4.3Å; R433-E435 IonicContact NH1-OE1 3.02Å; R433-E435 PolarHBondContact NH1-OE1 2.93Å; R433-N440 PolarHBondContact N-OD1 2.81Å; R433-N440 WeakPolarHBondContact O-CB 3.47Å; R433-N440 PolarHBondContact O-ND2 3.39Å; R433-N440 PolarHBondContact O-OD1 2.97Å
434F78.5Confident85.9Confident47 Ų4723.7 Ų23.721%0.20612%0.122CC..  trans-108.946176-62.4-87.8000110.3I432 N440 I442 M481 A484 M485 Y492I432-F434 HydrophobicContact CG2-CE2 3.78Å; I432-F434 HydrophobicContact CG2-CZ 4.28Å; F434-N440 WeakPolarHBondContact CE1-ND2 3.41Å; F434-N440 VanDerWaalsContact CZ-ND2 3.3Å; F434-N440 WeakPolarHBondContact CZ-ND2 3.49Å; F434-I442 HydrophobicContact CZ-CG2 4.47Å; F434-M481 HydrophobicContact CD1-CB 4.05Å; F434-M481 HydrophobicContact CD1-CG 4.32Å; F434-M481 HydrophobicContact CD1-SD 3.52Å; F434-M481 VanDerWaalsContact CD1-SD 3.52Å; F434-M481 HydrophobicContact CE1-SD 3.73Å; F434-A484 HydrophobicContact CE1-CB 3.6Å; F434-A484 HydrophobicContact CZ-CB 3.98Å; F434-M485 HydrophobicContact CB-CE 4.35Å; F434-M485 HydrophobicContact CB-CG 3.74Å; F434-M485 HydrophobicContact CB-SD 3.69Å; F434-M485 HydrophobicContact CD1-CG 3.52Å; F434-M485 HydrophobicContact CD1-SD 4.31Å; F434-M485 HydrophobicContact CD2-CG 3.59Å; F434-M485 HydrophobicContact CE1-CG 3.96Å; F434-M485 HydrophobicContact CE2-CG 4.03Å; F434-M485 HydrophobicContact CG-CG 3.31Å; F434-M485 HydrophobicContact CG-SD 3.97Å; F434-M485 HydrophobicContact CZ-CG 4.19Å; F434-Y492 AromaticContact CE2-CE2 3.91Å; F434-Y492 HydrophobicContact CE2-CE2 3.91Å; F434-Y492 AromaticContact CE2-CZ 3.71Å; F434-Y492 WeakPolarHBondContact CE2-OH 3.38Å; F434-Y492 HydrophobicContact CZ-CE1 4.47Å; F434-Y492 HydrophobicContact CZ-CE2 4.29Å; F434-Y492 AromaticContact CZ-CZ 3.75Å; F434-Y492 WeakPolarHBondContact CZ-OH 3.38Å
435E74.2Confident85.8Confident27 Ų2724.2 Ų24.213%0.12612%0.124CC..  trans-77156.9175.8-65.6170.7-158.400109.9Q158 R433 D437 G438Q158-E435 HydrophobicContact CB-CG 4.45Å; R433-E435 HydrophobicContact CB-CG 4.3Å; R433-E435 IonicContact NH1-OE1 3.02Å; R433-E435 PolarHBondContact NH1-OE1 2.93Å; E435-D437 PolarHBondContact O-N 3.34Å; E435-G438 PolarHBondContact O-N 3.12Å; E435-G438 VanDerWaalsContact O-N 3.09Å
436E66.1Low85.6Confident185 Ų18525.2 Ų25.286%0.86413%0.128SC*.THydrogen-bonded Turntrans-60.4-20.4-175.6-65.7179176.400114G438E436-G438 PolarHBondContact O-N 3.02Å
437D68.2Low85.4Confident90 Ų9025.2 Ų25.248%0.48113%0.128SC..THydrogen-bonded Turntrans-75.8-4.2178.974-0.3000113.7K168 E435 S439K168-D437 IonicContact NZ-OD2 2.67Å; K168-D437 PolarHBondContact NZ-OD2 2.87Å; E435-D437 PolarHBondContact O-N 3.34Å; D437-S439 PolarHBondContact O-N 3.47Å; D437-S439 WeakPolarHBondContact OD1-CB 3.25Å; D437-S439 PolarHBondContact OD1-N 3.05Å; D437-S439 PolarHBondContact OD1-OG 2.95Å; D437-S439 PolarHBondContact OD2-OG 3.22Å; D437-S439 VanDerWaalsContact OD2-OG 3.05Å
438G67.4Low84.6Confident15 Ų1528 Ų2816%0.15514%0.143CC..  trans70.29.6179.500000114.2E435 E436 N440E435-G438 PolarHBondContact O-N 3.12Å; E435-G438 VanDerWaalsContact O-N 3.09Å; E436-G438 PolarHBondContact O-N 3.02Å; G438-N440 VanDerWaalsContact C-N 3.25Å; G438-N440 PolarHBondContact O-N 3.42Å
439S68Low83.1Confident25 Ų2531.9 Ų31.918%0.17516%0.164CC..  trans-76.476.4178.968.30000111.1K168 D437K168-S439 PolarHBondContact NZ-OG 3.21Å; D437-S439 PolarHBondContact O-N 3.47Å; D437-S439 WeakPolarHBondContact OD1-CB 3.25Å; D437-S439 PolarHBondContact OD1-N 3.05Å; D437-S439 PolarHBondContact OD1-OG 2.95Å; D437-S439 PolarHBondContact OD2-OG 3.22Å; D437-S439 VanDerWaalsContact OD2-OG 3.05Å
440N80.9Confident81.3Confident2 Ų237.5 Ų37.51%0.01119%0.194CC..  trans-117.8149.4173.8-161.20.1000109.9Y408 I432 R433 F434 G438 M481Y408-N440 VanDerWaalsContact CA-O 3.3Å; Y408-N440 WeakPolarHBondContact CA-O 3.16Å; Y408-N440 WeakPolarHBondContact CB-O 3.49Å; Y408-N440 HydrophobicContact CG-CB 4.46Å; I432-N440 VanDerWaalsContact CA-OD1 3.26Å; I432-N440 WeakPolarHBondContact CA-OD1 3.39Å; I432-N440 WeakPolarHBondContact CG2-OD1 3.29Å; R433-N440 PolarHBondContact N-OD1 2.81Å; R433-N440 WeakPolarHBondContact O-CB 3.47Å; R433-N440 PolarHBondContact O-ND2 3.39Å; R433-N440 PolarHBondContact O-OD1 2.97Å; F434-N440 WeakPolarHBondContact CE1-ND2 3.41Å; F434-N440 VanDerWaalsContact CZ-ND2 3.3Å; F434-N440 WeakPolarHBondContact CZ-ND2 3.49Å; G438-N440 VanDerWaalsContact C-N 3.25Å; G438-N440 PolarHBondContact O-N 3.42Å; N440-M481 HydrophobicContact CB-CE 3.65Å
441V85.3Confident79.5Confident4 Ų437.8 Ų37.82%0.02420%0.195CC..SBendtrans-102.93.3-177.3-630000113.8W401 S411 K412 D429 N431 I432W401-V441 HydrophobicContact CH2-CG1 4.04Å; W401-V441 HydrophobicContact CZ2-CG1 3.93Å; S411-V441 VanDerWaalsContact CB-C 3.42Å; S411-V441 WeakPolarHBondContact CB-O 3.32Å; S411-V441 PolarHBondContact OG-O 3.12Å; K412-V441 PolarHBondContact N-O 3.11Å; D429-V441 HydrophobicContact CB-CG2 4.15Å; D429-V441 WeakPolarHBondContact OD1-CG2 3.43Å; D429-V441 WeakPolarHBondContact OD2-CG2 3.32Å; N431-V441 VanDerWaalsContact C-CG2 3.41Å; N431-V441 HydrophobicContact CB-CG1 3.76Å; N431-V441 HydrophobicContact CB-CG2 4.09Å; N431-V441 WeakPolarHBondContact ND2-CG1 3.48Å; N431-V441 WeakPolarHBondContact O-CG2 3.45Å; I432-V441 HydrophobicContact CG1-CG2 3.75Å
442I92Very high78Confident3 Ų337 Ų372%0.01519%0.189CC..EExtended strand (participates in β ladder)trans-115.7135.4178.3-162.5175.4000112.5S411 L414 L427 I432 F434 L444 Y492S411-I442 WeakPolarHBondContact OG-CA 3.48Å; S411-I442 PolarHBondContact OG-N 3.34Å; S411-I442 VanDerWaalsContact OG-N 3.14Å; L414-I442 HydrophobicContact CB-CD1 4.5Å; L414-I442 HydrophobicContact CB-CG1 4.47Å; L414-I442 HydrophobicContact CD2-CD1 4.13Å; L427-I442 HydrophobicContact CD2-CB 4.36Å; L427-I442 HydrophobicContact CD2-CD1 3.7Å; L427-I442 HydrophobicContact CD2-CG1 3.81Å; I432-I442 HydrophobicContact CD1-CD1 4.4Å; I432-I442 HydrophobicContact CG1-CB 4.46Å; I432-I442 HydrophobicContact CG1-CG2 4.46Å; I432-I442 HydrophobicContact CG2-CG2 4Å; F434-I442 HydrophobicContact CZ-CG2 4.47Å; I442-L444 HydrophobicContact CD1-CD1 4.43Å; I442-L444 HydrophobicContact CD1-CD2 3.36Å; I442-L444 HydrophobicContact CD1-CG 3.87Å; I442-L444 HydrophobicContact CG1-CD2 3.73Å; I442-L444 HydrophobicContact CG1-CG 4.01Å; I442-Y492 HydrophobicContact CD1-CD1 3.84Å; I442-Y492 HydrophobicContact CD1-CG 3.78Å
443D93.8Very high76.1Confident0 Ų042.4 Ų42.40%022%0.223CC..EExtended strand (participates in β ladder)trans-11798.7174.2-169.918.1000108.9R346 Y408 S411 K412 P413 L414 Y445 N478R346-D443 IonicContact CZ-OD2 3.42Å; R346-D443 VanDerWaalsContact CZ-OD2 3.26Å; R346-D443 IonicContact NH1-OD2 3.21Å; R346-D443 PolarHBondContact NH1-OD2 2.77Å; R346-D443 IonicContact NH2-OD2 2.67Å; R346-D443 PolarHBondContact NH2-OD2 2.67Å; Y408-D443 WeakPolarHBondContact O-CB 3.5Å; S411-D443 PolarHBondContact OG-N 3.14Å; K412-D443 PolarHBondContact O-N 3.45Å; P413-D443 CarbonylContact C-O 3.58Å; P413-D443 VanDerWaalsContact CA-O 3.26Å; P413-D443 WeakPolarHBondContact CA-O 3.35Å; L414-D443 PolarHBondContact N-O 3.38Å; D443-Y445 HydrophobicContact CB-CE2 4.17Å; D443-Y445 WeakPolarHBondContact O-CD2 3.38Å; D443-Y445 PolarHBondContact OD1-OH 3.11Å; D443-Y445 VanDerWaalsContact OD2-CE2 3.24Å; D443-Y445 WeakPolarHBondContact OD2-CE2 3.33Å; D443-Y445 PolarHBondContact OD2-OH 3.16Å; D443-N478 PolarHBondContact OD1-ND2 3.04Å
444L94.9Very high74.5Confident3 Ų348 Ų482%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-89.5134.3-170.4-74.7-173.6000112.7L414 F416 I442 N478 L479 A484 W487 Y492L414-L444 HydrophobicContact CB-CD2 3.92Å; L414-L444 HydrophobicContact CD2-CD2 3.87Å; L414-L444 HydrophobicContact CG-CD2 4.27Å; F416-L444 HydrophobicContact CD1-CD2 4.36Å; F416-L444 HydrophobicContact CE1-CB 4.23Å; F416-L444 HydrophobicContact CE1-CD1 4.37Å; F416-L444 HydrophobicContact CE1-CD2 4.14Å; F416-L444 HydrophobicContact CE1-CG 4.5Å; I442-L444 HydrophobicContact CD1-CD1 4.43Å; I442-L444 HydrophobicContact CD1-CD2 3.36Å; I442-L444 HydrophobicContact CD1-CG 3.87Å; I442-L444 HydrophobicContact CG1-CD2 3.73Å; I442-L444 HydrophobicContact CG1-CG 4.01Å; L444-N478 PolarHBondContact O-ND2 2.72Å; L444-L479 HydrophobicContact CB-CB 4.22Å; L444-L479 HydrophobicContact CB-CD1 4.1Å; L444-L479 HydrophobicContact CB-CG 4.3Å; L444-L479 HydrophobicContact CD1-CD1 4.42Å; L444-L479 PolarHBondContact O-N 3.18Å; L444-A484 HydrophobicContact CD1-CB 3.81Å; L444-W487 HydrophobicContact CD1-CB 4.35Å; L444-Y492 HydrophobicContact CD1-CD1 3.87Å; L444-Y492 HydrophobicContact CD1-CE1 3.68Å
445Y95.4Very high73Confident10 Ų1049 Ų494%0.03926%0.262CS..EExtended strand (participates in β ladder)trans-128126.6174.9-64.7-92.7000110.8R346 F353 P413 L414 W415 F416 D443 Y476 Y477 N478R346-Y445 PolarHBondContact NH2-OH 2.91Å; F353-Y445 HydrophobicContact CZ-CE1 4.33Å; F353-Y445 AromaticContact CZ-CE2 3.75Å; F353-Y445 HydrophobicContact CZ-CE2 3.75Å; F353-Y445 AromaticContact CZ-CZ 3.64Å; P413-Y445 HydrophobicContact CB-CD2 4.37Å; P413-Y445 HydrophobicContact CB-CE2 4.1Å; L414-Y445 PolarHBondContact O-N 3.03Å; W415-Y445 WeakPolarHBondContact CA-O 3.34Å; W415-Y445 AromaticContact CD1-CG 3.82Å; W415-Y445 AromaticContact NE1-CD2 3.7Å; W415-Y445 AromaticContact NE1-CG 3.65Å; F416-Y445 WeakPolarHBondContact CD1-O 3.41Å; F416-Y445 PolarHBondContact N-O 3.38Å; D443-Y445 HydrophobicContact CB-CE2 4.17Å; D443-Y445 WeakPolarHBondContact O-CD2 3.38Å; D443-Y445 PolarHBondContact OD1-OH 3.11Å; D443-Y445 VanDerWaalsContact OD2-CE2 3.24Å; D443-Y445 WeakPolarHBondContact OD2-CE2 3.33Å; D443-Y445 PolarHBondContact OD2-OH 3.16Å; Y445-Y476 AromaticContact CD1-CD2 3.72Å; Y445-Y476 HydrophobicContact CD1-CD2 3.72Å; Y445-Y476 HydrophobicContact CD1-CE2 4.09Å; Y445-Y476 HydrophobicContact CE1-CD2 4.38Å; Y445-Y476 HydrophobicContact CE1-CE2 4.32Å; Y445-Y476 HydrophobicContact CG-CD2 4.5Å; Y445-Y477 WeakPolarHBondContact CA-O 3.5Å; Y445-N478 HydrophobicContact CD1-CB 4.05Å; Y445-N478 HydrophobicContact CE1-CB 3.71Å
446Q94.7Very high71.4Confident23 Ų2354.6 Ų54.611%0.10729%0.293CS..EExtended strand (participates in β ladder)trans-99.6131.1173.6-179.6174.3-33.400109.8F416 P418 Y476 Y477 L479F416-Q446 HydrophobicContact CE2-CB 4.18Å; F416-Q446 HydrophobicContact CE2-CG 4.16Å; F416-Q446 HydrophobicContact CZ-CB 4.05Å; P418-Q446 HydrophobicContact CG-CG 4.25Å; Q446-Y476 VanDerWaalsContact O-CA 3.27Å; Q446-Y476 WeakPolarHBondContact O-CA 3.44Å; Q446-Y477 HydrophobicContact CB-CE1 3.98Å; Q446-Y477 HydrophobicContact CB-CE2 4.21Å; Q446-Y477 HydrophobicContact CG-CE1 4.05Å; Q446-Y477 PolarHBondContact N-O 3.03Å; Q446-Y477 PolarHBondContact NE2-OH 3.25Å; Q446-Y477 WeakPolarHBondContact O-CD1 3.42Å; Q446-Y477 PolarHBondContact O-N 2.61Å; Q446-Y477 PolarHBondContact OE1-OH 2.92Å; Q446-L479 HydrophobicContact CB-CD2 4.23Å
447F93Very high70.5Confident0 Ų051.4 Ų51.40%027%0.274CS..EExtended strand (participates in β ladder)trans-75.6143.1168.6-68.4-65.2000111.3Y379 Y382 W415 F416 F452 Y476Y379-F447 HydrophobicContact CD2-CD1 4.02Å; Y379-F447 AromaticContact CD2-CE1 3.86Å; Y379-F447 HydrophobicContact CD2-CE1 3.86Å; Y379-F447 HydrophobicContact CD2-CE2 4.43Å; Y379-F447 HydrophobicContact CD2-CG 4.43Å; Y379-F447 HydrophobicContact CD2-CZ 4.08Å; Y379-F447 HydrophobicContact CG-CE1 4.39Å; Y382-F447 AromaticContact CD1-CE2 3.98Å; Y382-F447 HydrophobicContact CD1-CE2 3.98Å; Y382-F447 AromaticContact CD2-CE2 3.8Å; Y382-F447 HydrophobicContact CD2-CE2 3.8Å; Y382-F447 HydrophobicContact CE2-CE2 4.45Å; Y382-F447 AromaticContact CG-CE2 3.53Å; Y382-F447 HydrophobicContact CG-CE2 3.53Å; Y382-F447 HydrophobicContact CG-CZ 4.14Å; W415-F447 HydrophobicContact CB-CD2 4.43Å; W415-F447 HydrophobicContact CB-CE2 3.5Å; W415-F447 HydrophobicContact CB-CZ 3.67Å; W415-F447 HydrophobicContact CG-CE2 4.33Å; W415-F447 HydrophobicContact CG-CZ 4Å; F416-F447 WeakPolarHBondContact O-CD2 3.13Å; F416-F447 PolarHBondContact O-N 3.16Å; F447-F452 HydrophobicContact CB-CE2 3.92Å; F447-F452 HydrophobicContact CD2-CE2 4.22Å; F447-F452 HydrophobicContact CD2-CZ 4.28Å; F447-F452 HydrophobicContact CG-CE2 4.24Å; F447-Y476 HydrophobicContact CE1-CD1 4.42Å
448D82.5Confident69Low58 Ų5851.9 Ų51.931%0.3128%0.28SS..PPolyproline II helixtrans-70.4148.8172.4-165.4-2000111.5N450 N451 S475D448-N450 PolarHBondContact O-N 3.13Å; D448-N451 WeakPolarHBondContact O-CB 3.41Å; D448-N451 PolarHBondContact O-N 2.86Å; D448-N451 PolarHBondContact O-ND2 3.43Å; D448-S475 WeakPolarHBondContact CB-O 3.17Å; D448-S475 WeakPolarHBondContact CB-OG 3.48Å; D448-S475 PolarHBondContact N-O 2.9Å; D448-S475 PolarHBondContact OD2-OG 3.25Å
449N66.4Low67.5Low82 Ų8257.8 Ų57.844%0.43931%0.313SS..G310 helixtrans-65.6-24.7-169.2-64.6-12.4000113N419 N451N419-N449 PolarHBondContact ND2-OD1 3.34Å; N449-N451 PolarHBondContact O-N 3.04Å
450N58Low65.9Low122 Ų12262.6 Ų62.665%0.65234%0.337SS*.G310 helixtrans-68.7-15.6-179.6-67.2-27.4000113.4D448 F452 T453D448-N450 PolarHBondContact O-N 3.13Å; N450-F452 PolarHBondContact O-N 3.33Å; N450-T453 PolarHBondContact O-OG1 2.96Å
451N53.9Low63.8Low20 Ų2070.4 Ų70.411%0.10738%0.379CS..G310 helixtrans-80.6-15.7-170-67.5-36.4000114.9Y379 D448 N449 H474 S475Y379-N451 HydrophobicContact CE2-CB 4.35Å; Y379-N451 PolarHBondContact OH-O 3.36Å; D448-N451 WeakPolarHBondContact O-CB 3.41Å; D448-N451 PolarHBondContact O-N 2.86Å; D448-N451 PolarHBondContact O-ND2 3.43Å; N449-N451 PolarHBondContact O-N 3.04Å; N451-H474 HydrophobicContact CB-CB 4.3Å; N451-H474 WeakPolarHBondContact OD1-CA 3.42Å; N451-H474 WeakPolarHBondContact OD1-CB 3.43Å; N451-H474 PolarHBondContact OD1-CD2 3.45Å; N451-S475 PolarHBondContact ND2-N 2.89Å; N451-S475 PolarHBondContact ND2-O 2.67Å
452F54.2Low61.4Low37 Ų3777.8 Ų77.816%0.16242%0.418CS..SBendtrans-107.6-9-172.6-74.7-94.8000114.8Y379 Y382 N417 F447 N450 N454Y379-F452 HydrophobicContact CE2-CD2 4.47Å; Y379-F452 HydrophobicContact CE2-CE1 4.13Å; Y379-F452 AromaticContact CE2-CE2 3.86Å; Y379-F452 HydrophobicContact CE2-CE2 3.86Å; Y379-F452 AromaticContact CE2-CZ 3.68Å; Y379-F452 HydrophobicContact CE2-CZ 3.68Å; Y382-F452 HydrophobicContact CD1-CZ 4.27Å; Y382-F452 AromaticContact CE1-CE1 3.88Å; Y382-F452 HydrophobicContact CE1-CE1 3.88Å; Y382-F452 AromaticContact CE1-CZ 3.71Å; Y382-F452 HydrophobicContact CE1-CZ 3.71Å; N417-F452 HydrophobicContact CB-CD2 4.18Å; N417-F452 HydrophobicContact CB-CE1 4.5Å; N417-F452 HydrophobicContact CB-CE2 3.51Å; N417-F452 HydrophobicContact CB-CZ 3.68Å; N417-F452 WeakPolarHBondContact ND2-CD2 3.46Å; N417-F452 WeakPolarHBondContact ND2-CE2 3.46Å; N417-F452 WeakPolarHBondContact ND2-CG 3.46Å; F447-F452 HydrophobicContact CB-CE2 3.92Å; F447-F452 HydrophobicContact CD2-CE2 4.22Å; F447-F452 HydrophobicContact CD2-CZ 4.28Å; F447-F452 HydrophobicContact CG-CE2 4.24Å; N450-F452 PolarHBondContact O-N 3.33Å; F452-N454 PolarHBondContact O-N 3.12Å
453T49.9Very low58.9Low114 Ų11485.1 Ų85.170%0.69946%0.456SS*.THydrogen-bonded Turntrans-72.4-11.7-178.449.80000114.2N450N450-T453 PolarHBondContact O-OG1 2.96Å
454N46.8Very low56.2Low140 Ų14090.3 Ų90.375%0.74949%0.492SS*.THydrogen-bonded Turntrans-112.2-5.9-174-76.6-15.7000116F452 N456F452-N454 PolarHBondContact O-N 3.12Å; N454-N456 PolarHBondContact O-N 2.96Å
455N47.2Very low53.3Low69 Ų6995.7 Ų95.737%0.36953%0.53SS..  trans-99.888.2-179.7-78.2-31.4000110.9Y379 Q383 Y457Y379-N455 PolarHBondContact OH-ND2 3.49Å; Q383-N455 PolarHBondContact NE2-ND2 3.48Å; N455-Y457 PolarHBondContact O-N 3.42Å; N455-Y457 VanDerWaalsContact O-N 3.07Å
456N41.5Very low50.3Low145 Ų145103.7 Ų103.778%0.77557%0.568SS**  trans-55.4112.5159.9-79.1-32.3000108.1N454 T458N454-N456 PolarHBondContact O-N 2.96Å; N456-T458 HydrophobicContact CB-CG2 4.27Å; N456-T458 PolarHBondContact O-N 3.29Å
457Y46.3Very low47.3Very low118 Ų118110 Ų11046%0.46360%0.602SS.*  trans-67.969.4166.1-71.7-89.6000109I423 N455I423-Y457 HydrophobicContact CD1-CE1 4.01Å; N455-Y457 PolarHBondContact O-N 3.42Å; N455-Y457 VanDerWaalsContact O-N 3.07Å
458T36.4Very low44.5Very low100 Ų100117.4 Ų117.461%0.61364%0.641SS**  trans-84.5114166.644.90000108N456 D460N456-T458 HydrophobicContact CB-CG2 4.27Å; N456-T458 PolarHBondContact O-N 3.29Å; T458-D460 PolarHBondContact O-N 2.95Å
459T35.6Very low42.1Very low139 Ų139124.1 Ų124.185%0.85367%0.667SS**  trans-68.669.8170.749.50000110.4
460D35Very low40.7Very low125 Ų125125.4 Ų125.467%0.66868%0.683SS**  trans-125108174.9-78.4-39.1000111T458 N462T458-D460 PolarHBondContact O-N 2.95Å; D460-N462 PolarHBondContact O-N 2.8Å
461N36Very low39.9Very low167 Ų167125.4 Ų125.489%0.89368%0.677SS**SBendtrans-75.255.7178.5-74.5-29.1000112.1
462N35.1Very low39.7Very low159 Ų159132.9 Ų132.985%0.8571%0.711SS**  trans-16278.5170.4-90.7-35.1000110.7D460D460-N462 PolarHBondContact O-N 2.8Å
463I39.9Very low39.6Very low156 Ų156138.5 Ų138.580%0.874%0.736SS**  trans-116.7106.9161.4-65179.1000107.8S465I463-S465 PolarHBondContact O-N 3.12Å
464S36.8Very low40.4Very low109 Ų109135.4 Ų135.476%0.76271%0.714SS**  trans-61.1127.3166.345.30000109.7Q466S464-Q466 PolarHBondContact O-N 3.15Å
465S33.7Very low41.9Very low116 Ų116131.3 Ų131.381%0.81170%0.696SS**SBendtrans-67.484.6178.438.30000111.1I463I463-S465 PolarHBondContact O-N 3.12Å
466Q34.3Very low43.9Very low179 Ų179130.4 Ų130.484%0.83669%0.687SS**  trans-156.49.5167.5-116.2164.939.900119.3S464S464-Q466 PolarHBondContact O-N 3.15Å
467N29.8Very low46.3Very low154 Ų154128.5 Ų128.582%0.82467%0.67SS**  trans-144.849178.9-95.8-26.7000116.5
468L35.8Very low48.4Very low157 Ų157125.3 Ų125.382%0.82266%0.661SS**  trans-101.383.6157.3-92.485.9000109.5
469K32.1Very low51.1Low198 Ų198120.7 Ų120.786%0.86163%0.632SS**  trans-119.475170.5-82.4-171.5177.4179.20110.5
470S35.9Very low53.6Low110 Ų110117.7 Ų117.777%0.76961%0.611SS**  trans173.786.5142.1540000107.2E472S470-E472 VanDerWaalsContact C-N 3.35Å; S470-E472 PolarHBondContact O-N 3.11Å
471K42.4Very low56Low122 Ų122113.3 Ų113.353%0.5359%0.587SS.*  trans-69.589.8173.7-84.2-171167.6-157.70108.7E380 F473E380-K471 WeakPolarHBondContact OE1-CE 3.27Å; E380-K471 IonicContact OE1-NZ 2.66Å; E380-K471 PolarHBondContact OE1-NZ 2.93Å; K471-F473 PolarHBondContact O-N 2.98Å
472E50Low58.4Low177 Ų177110.9 Ų110.983%0.82757%0.574SS**  trans-65.8114.8149.5-79.5-178.4159.800105.5S470 H474S470-E472 VanDerWaalsContact C-N 3.35Å; S470-E472 PolarHBondContact O-N 3.11Å; E472-H474 PolarHBondContact O-N 3.2Å; E472-H474 VanDerWaalsContact O-N 3.13Å
473F52.1Low61.1Low155 Ų155106 Ų10668%0.6855%0.548SS*.PPolyproline II helixtrans-59119.4173-83.2-92.8000107.4K471 S475K471-F473 PolarHBondContact O-N 2.98Å; F473-S475 PolarHBondContact O-N 3.19Å
474H65Low63.6Low49 Ų4998.9 Ų98.923%0.22751%0.512CS..PPolyproline II helixtrans-56.1116.9172.6-63.492.6000107.6Y379 N451 E472 Y476Y379-H474 HydrophobicContact CD1-CB 4.43Å; Y379-H474 AromaticContact CD1-CD2 3.85Å; Y379-H474 AromaticContact CD1-CE1 3.27Å; Y379-H474 WeakPolarHBondContact CD1-CE1 3.47Å; Y379-H474 AromaticContact CD1-CG 3.62Å; Y379-H474 AromaticContact CD1-ND1 3.24Å; Y379-H474 WeakPolarHBondContact CD1-ND1 3.39Å; Y379-H474 AromaticContact CD1-NE2 3.64Å; Y379-H474 HydrophobicContact CD2-CB 4.13Å; Y379-H474 AromaticContact CE1-CD2 3.81Å; Y379-H474 AromaticContact CE1-CE1 3.49Å; Y379-H474 VanDerWaalsContact CE1-CE1 3.49Å; Y379-H474 WeakPolarHBondContact CE1-CE1 3.21Å; Y379-H474 AromaticContact CE1-ND1 3.88Å; Y379-H474 AromaticContact CE1-NE2 3.42Å; Y379-H474 WeakPolarHBondContact CE1-NE2 3.33Å; Y379-H474 HydrophobicContact CG-CB 3.88Å; Y379-H474 AromaticContact CG-CG 3.56Å; Y379-H474 AromaticContact CG-ND1 3.55Å; Y379-H474 AromaticContact CZ-NE2 3.98Å; N451-H474 HydrophobicContact CB-CB 4.3Å; N451-H474 WeakPolarHBondContact OD1-CA 3.42Å; N451-H474 WeakPolarHBondContact OD1-CB 3.43Å; N451-H474 PolarHBondContact OD1-CD2 3.45Å; E472-H474 PolarHBondContact O-N 3.2Å; E472-H474 VanDerWaalsContact O-N 3.13Å; H474-Y476 WeakPolarHBondContact O-CD1 3.49Å; H474-Y476 PolarHBondContact O-N 3.17Å
475S79.9Confident66.2Low53 Ų5397.9 Ų97.937%0.37150%0.497SS..PPolyproline II helixtrans-65.4129.4-178.341.30000110D448 N451 F473D448-S475 WeakPolarHBondContact CB-O 3.17Å; D448-S475 WeakPolarHBondContact CB-OG 3.48Å; D448-S475 PolarHBondContact N-O 2.9Å; D448-S475 PolarHBondContact OD2-OG 3.25Å; N451-S475 PolarHBondContact ND2-N 2.89Å; N451-S475 PolarHBondContact ND2-O 2.67Å; F473-S475 PolarHBondContact O-N 3.19Å
476Y89.2Confident69Low50 Ų5098.9 Ų98.920%0.19649%0.487CS..EExtended strand (participates in β ladder)trans-134.9156.4168.959.9-92.6000108.2P378 Y445 Q446 F447 H474P378-Y476 HydrophobicContact CB-CD1 4.15Å; P378-Y476 HydrophobicContact CB-CE1 3.9Å; P378-Y476 HydrophobicContact CG-CD1 4.38Å; P378-Y476 HydrophobicContact CG-CE1 3.65Å; P378-Y476 HydrophobicContact CG-CE2 4.31Å; Y445-Y476 AromaticContact CD1-CD2 3.72Å; Y445-Y476 HydrophobicContact CD1-CD2 3.72Å; Y445-Y476 HydrophobicContact CD1-CE2 4.09Å; Y445-Y476 HydrophobicContact CE1-CD2 4.38Å; Y445-Y476 HydrophobicContact CE1-CE2 4.32Å; Y445-Y476 HydrophobicContact CG-CD2 4.5Å; Q446-Y476 VanDerWaalsContact O-CA 3.27Å; Q446-Y476 WeakPolarHBondContact O-CA 3.44Å; F447-Y476 HydrophobicContact CE1-CD1 4.42Å; H474-Y476 WeakPolarHBondContact O-CD1 3.49Å; H474-Y476 PolarHBondContact O-N 3.17Å
477Y90.6Very high71.9Confident105 Ų10591.7 Ų91.741%0.41245%0.452SS..EExtended strand (participates in β ladder)trans-136.4145.1176.459.5-82.8000110.6Y445 Q446 L479Y445-Y477 WeakPolarHBondContact CA-O 3.5Å; Q446-Y477 HydrophobicContact CB-CE1 3.98Å; Q446-Y477 HydrophobicContact CB-CE2 4.21Å; Q446-Y477 HydrophobicContact CG-CE1 4.05Å; Q446-Y477 PolarHBondContact N-O 3.03Å; Q446-Y477 PolarHBondContact NE2-OH 3.25Å; Q446-Y477 WeakPolarHBondContact O-CD1 3.42Å; Q446-Y477 PolarHBondContact O-N 2.61Å; Q446-Y477 PolarHBondContact OE1-OH 2.92Å; Y477-L479 HydrophobicContact CD2-CD2 3.74Å; Y477-L479 HydrophobicContact CE2-CD2 3.32Å
478N91.9Very high75Confident51 Ų5185.8 Ų85.827%0.27342%0.419SS..EExtended strand (participates in β ladder)trans-72.3137.1173-175.5-119.4000109.3D443 L444 Y445D443-N478 PolarHBondContact OD1-ND2 3.04Å; L444-N478 PolarHBondContact O-ND2 2.72Å; Y445-N478 HydrophobicContact CD1-CB 4.05Å; Y445-N478 HydrophobicContact CE1-CB 3.71Å
479L91.7Very high78Confident3 Ų379.6 Ų79.62%0.01639%0.387CS..PPolyproline II helixtrans-86.5137.7173.5-59.4-172.2000110.5F416 L444 Q446 Y477 D483 A484 W487F416-L479 HydrophobicContact CE1-CD1 4.01Å; F416-L479 HydrophobicContact CZ-CD1 3.69Å; L444-L479 HydrophobicContact CB-CB 4.22Å; L444-L479 HydrophobicContact CB-CD1 4.1Å; L444-L479 HydrophobicContact CB-CG 4.3Å; L444-L479 HydrophobicContact CD1-CD1 4.42Å; L444-L479 PolarHBondContact O-N 3.18Å; Q446-L479 HydrophobicContact CB-CD2 4.23Å; Y477-L479 HydrophobicContact CD2-CD2 3.74Å; Y477-L479 HydrophobicContact CE2-CD2 3.32Å; L479-D483 HydrophobicContact CB-CB 4.23Å; L479-D483 HydrophobicContact CD2-CB 4.29Å; L479-A484 HydrophobicContact CB-CB 4.3Å; L479-W487 VanDerWaalsContact CD1-CD1 3.41Å
480D88.2Confident81.1Confident76 Ų7670.5 Ų70.541%0.40635%0.347SS..PPolyproline II helixtrans-70.6172.7164.37629.5000110.8N482 D483 A484D480-N482 VanDerWaalsContact C-N 3.32Å; D480-N482 PolarHBondContact O-N 2.88Å; D480-N482 WeakPolarHBondContact OD1-CA 3.49Å; D480-N482 WeakPolarHBondContact OD1-CB 3.4Å; D480-N482 PolarHBondContact OD1-N 3.11Å; D480-D483 PolarHBondContact O-N 3.12Å; D480-D483 PolarHBondContact OD1-N 2.66Å; D480-A484 WeakPolarHBondContact O-CB 3.36Å; D480-A484 PolarHBondContact O-N 2.9Å
481M85.5Confident84.1Confident34 Ų3465.4 Ų65.417%0.16731%0.311CS..Hα-helixtrans-61.1-38.6-177.5-69-56.4-148.100113.2Y408 F434 N440 A484 M485Y408-M481 HydrophobicContact CD1-CE 3.13Å; Y408-M481 HydrophobicContact CD1-SD 4.07Å; Y408-M481 HydrophobicContact CD2-CE 3.82Å; Y408-M481 HydrophobicContact CD2-SD 3.83Å; Y408-M481 HydrophobicContact CE1-CE 3.49Å; Y408-M481 VanDerWaalsContact CE1-CE 3.49Å; Y408-M481 HydrophobicContact CE1-CG 4.13Å; Y408-M481 HydrophobicContact CE1-SD 4Å; Y408-M481 HydrophobicContact CE2-CE 4.13Å; Y408-M481 HydrophobicContact CE2-CG 4.45Å; Y408-M481 HydrophobicContact CE2-SD 3.78Å; Y408-M481 HydrophobicContact CG-CE 3.29Å; Y408-M481 HydrophobicContact CG-SD 3.97Å; F434-M481 HydrophobicContact CD1-CB 4.05Å; F434-M481 HydrophobicContact CD1-CG 4.32Å; F434-M481 HydrophobicContact CD1-SD 3.52Å; F434-M481 VanDerWaalsContact CD1-SD 3.52Å; F434-M481 HydrophobicContact CE1-SD 3.73Å; N440-M481 HydrophobicContact CB-CE 3.65Å; M481-A484 PolarHBondContact O-N 2.89Å; M481-M485 WeakPolarHBondContact O-CG 3.34Å; M481-M485 PolarHBondContact O-N 2.72Å
482N87.4Confident86.7Confident116 Ų11659.6 Ų59.662%0.6229%0.286SS*.Hα-helixtrans-69.3-38.7-177.4-67.5-43.7000111.2D480D480-N482 VanDerWaalsContact C-N 3.32Å; D480-N482 PolarHBondContact O-N 2.88Å; D480-N482 WeakPolarHBondContact OD1-CA 3.49Å; D480-N482 WeakPolarHBondContact OD1-CB 3.4Å; D480-N482 PolarHBondContact OD1-N 3.11Å
483D91.1Very high88.9Confident57 Ų5751.2 Ų51.231%0.30525%0.247SC..Hα-helixtrans-73.1-40175-75.3-26.5000111.6L479 D480 M485 K486L479-D483 HydrophobicContact CB-CB 4.23Å; L479-D483 HydrophobicContact CD2-CB 4.29Å; D480-D483 PolarHBondContact O-N 3.12Å; D480-D483 PolarHBondContact OD1-N 2.66Å; D483-M485 VanDerWaalsContact C-N 3.34Å; D483-M485 PolarHBondContact O-N 3.29Å; D483-K486 WeakPolarHBondContact O-CB 3.36Å; D483-K486 PolarHBondContact O-N 3.21Å; D483-K486 IonicContact OD1-NZ 2.82Å; D483-K486 PolarHBondContact OD1-NZ 3.32Å
484A91.6Very high91Very high5 Ų544.8 Ų44.84%0.04122%0.219CC..Hα-helixtrans-58.2-44.2175.700000112F434 L444 L479 D480 M481 K486 W487 Y492F434-A484 HydrophobicContact CE1-CB 3.6Å; F434-A484 HydrophobicContact CZ-CB 3.98Å; L444-A484 HydrophobicContact CD1-CB 3.81Å; L479-A484 HydrophobicContact CB-CB 4.3Å; D480-A484 WeakPolarHBondContact O-CB 3.36Å; D480-A484 PolarHBondContact O-N 2.9Å; M481-A484 PolarHBondContact O-N 2.89Å; A484-K486 PolarHBondContact O-N 3.47Å; A484-K486 VanDerWaalsContact O-N 3.08Å; A484-W487 PolarHBondContact O-N 2.87Å; A484-Y492 WeakPolarHBondContact O-CE1 3.43Å; A484-Y492 PolarHBondContact O-OH 2.87Å
485M91.3Very high92.4Very high89 Ų8942.4 Ų42.444%0.43821%0.208SC..Hα-helixtrans-54.4-29.2178.6-77.1172.776.100114.1F434 M481 D483 W487 E488 Y492F434-M485 HydrophobicContact CB-CE 4.35Å; F434-M485 HydrophobicContact CB-CG 3.74Å; F434-M485 HydrophobicContact CB-SD 3.69Å; F434-M485 HydrophobicContact CD1-CG 3.52Å; F434-M485 HydrophobicContact CD1-SD 4.31Å; F434-M485 HydrophobicContact CD2-CG 3.59Å; F434-M485 HydrophobicContact CE1-CG 3.96Å; F434-M485 HydrophobicContact CE2-CG 4.03Å; F434-M485 HydrophobicContact CG-CG 3.31Å; F434-M485 HydrophobicContact CG-SD 3.97Å; F434-M485 HydrophobicContact CZ-CG 4.19Å; M481-M485 WeakPolarHBondContact O-CG 3.34Å; M481-M485 PolarHBondContact O-N 2.72Å; D483-M485 VanDerWaalsContact C-N 3.34Å; D483-M485 PolarHBondContact O-N 3.29Å; M485-W487 PolarHBondContact O-N 2.83Å; M485-E488 PolarHBondContact O-N 2.99Å; M485-Y492 WeakPolarHBondContact CA-OH 3.49Å
486K93.3Very high93.2Very high137 Ų13741.8 Ų41.860%0.59620%0.201SC*.THydrogen-bonded Turntrans-70.4-16.9-179.7-60.7168.7-171.7164.50113D483 A484D483-K486 WeakPolarHBondContact O-CB 3.36Å; D483-K486 PolarHBondContact O-N 3.21Å; D483-K486 IonicContact OD1-NZ 2.82Å; D483-K486 PolarHBondContact OD1-NZ 3.32Å; A484-K486 PolarHBondContact O-N 3.47Å; A484-K486 VanDerWaalsContact O-N 3.08Å
487W95.7Very high93.5Very high28 Ų2839.4 Ų39.411%0.10619%0.191CC..THydrogen-bonded Turntrans-99.36.5-176.2-61.7107.2000113.7F416 P418 L444 L479 A484 M485 I490 Y491 Y492 I521F416-W487 AromaticContact CE2-CD2 3.76Å; F416-W487 HydrophobicContact CE2-CD2 3.76Å; F416-W487 AromaticContact CE2-CE2 3.69Å; F416-W487 HydrophobicContact CE2-CE3 4.05Å; F416-W487 HydrophobicContact CE2-CG 4.26Å; F416-W487 HydrophobicContact CE2-CH2 4.23Å; F416-W487 AromaticContact CE2-CZ2 3.93Å; F416-W487 HydrophobicContact CE2-CZ2 3.93Å; F416-W487 HydrophobicContact CE2-CZ3 4.28Å; F416-W487 AromaticContact CZ-CD1 3.76Å; F416-W487 AromaticContact CZ-CD2 3.78Å; F416-W487 HydrophobicContact CZ-CD2 3.78Å; F416-W487 AromaticContact CZ-CE2 3.71Å; F416-W487 HydrophobicContact CZ-CE3 4.49Å; F416-W487 AromaticContact CZ-CG 3.8Å; F416-W487 HydrophobicContact CZ-CG 3.8Å; F416-W487 HydrophobicContact CZ-CZ2 4.34Å; F416-W487 AromaticContact CZ-NE1 3.69Å; P418-W487 HydrophobicContact CB-CH2 3.69Å; P418-W487 HydrophobicContact CB-CZ3 4.16Å; P418-W487 HydrophobicContact CG-CH2 3.25Å; P418-W487 HydrophobicContact CG-CZ2 3.77Å; P418-W487 HydrophobicContact CG-CZ3 3.9Å; L444-W487 HydrophobicContact CD1-CB 4.35Å; L479-W487 VanDerWaalsContact CD1-CD1 3.41Å; A484-W487 PolarHBondContact O-N 2.87Å; M485-W487 PolarHBondContact O-N 2.83Å; W487-I490 HydrophobicContact CE3-CB 4.44Å; W487-I490 HydrophobicContact CE3-CD1 4.18Å; W487-I490 HydrophobicContact CE3-CG2 4.21Å; W487-I490 WeakPolarHBondContact O-CB 3.37Å; W487-I490 PolarHBondContact O-N 3.45Å; W487-Y491 HydrophobicContact CB-CD2 4.2Å; W487-Y491 AromaticContact CD2-CD2 3.97Å; W487-Y491 HydrophobicContact CD2-CD2 3.97Å; W487-Y491 HydrophobicContact CD2-CE2 4.21Å; W487-Y491 AromaticContact CE3-CD2 3.44Å; W487-Y491 HydrophobicContact CE3-CD2 3.44Å; W487-Y491 VanDerWaalsContact CE3-CD2 3.44Å; W487-Y491 AromaticContact CE3-CE2 3.39Å; W487-Y491 HydrophobicContact CE3-CE2 3.39Å; W487-Y491 HydrophobicContact CG-CD2 4.31Å; W487-Y491 HydrophobicContact CZ3-CD2 4.13Å; W487-Y491 AromaticContact CZ3-CE2 3.57Å; W487-Y491 HydrophobicContact CZ3-CE2 3.57Å; W487-Y491 PolarHBondContact O-N 3.38Å; W487-Y492 VanDerWaalsContact C-CE1 3.49Å; W487-Y492 HydrophobicContact CB-CE1 4.05Å; W487-I521 HydrophobicContact CE3-CD1 4.25Å; W487-I521 HydrophobicContact CH2-CD1 4.42Å; W487-I521 HydrophobicContact CZ3-CD1 3.73Å; W487-I521 HydrophobicContact CZ3-CG2 4.46Å
488E95.5Very high93.8Very high30 Ų3035.1 Ų35.114%0.1418%0.175CC..BIsolated β-bridgetrans-65.9141.3173.4-168.8161.3-146.600112.4R157 M485 I490 Y492R157-E488 VanDerWaalsContact CZ-CD 3.47Å; R157-E488 IonicContact CZ-OE1 3.36Å; R157-E488 VanDerWaalsContact CZ-OE1 3.25Å; R157-E488 IonicContact CZ-OE2 3.22Å; R157-E488 IonicContact NE-OE1 3.91Å; R157-E488 IonicContact NH1-OE1 3.59Å; R157-E488 IonicContact NH1-OE2 3.11Å; R157-E488 PolarHBondContact NH1-OE2 2.98Å; R157-E488 IonicContact NH2-OE1 3.97Å; R157-E488 PolarHBondContact NH2-OE1 3.46Å; R157-E488 IonicContact NH2-OE2 3.15Å; R157-E488 PolarHBondContact NH2-OE2 3.01Å; M485-E488 PolarHBondContact O-N 2.99Å; E488-I490 WeakPolarHBondContact O-CG1 3.35Å; E488-I490 PolarHBondContact O-N 3.37Å; E488-Y492 VanDerWaalsContact CA-CZ 3.44Å; E488-Y492 HydrophobicContact CB-CD2 4.47Å; E488-Y492 HydrophobicContact CB-CE1 4.33Å; E488-Y492 HydrophobicContact CB-CE2 3.6Å; E488-Y492 WeakPolarHBondContact CB-OH 3.22Å; E488-Y492 HydrophobicContact CG-CD2 4.2Å; E488-Y492 HydrophobicContact CG-CE2 3.54Å
489N97.4Very high94Very high27 Ų2736.2 Ų36.214%0.14418%0.179CC..THydrogen-bonded Turntrans52.935.6-170.1-55.5-25.9000111.2Y492 E513 C514 N517N489-Y492 WeakPolarHBondContact CA-O 3.49Å; N489-Y492 PolarHBondContact N-O 2.54Å; N489-E513 HydrophobicContact CB-CG 4.25Å; N489-E513 PolarHBondContact ND2-OE1 2.79Å; N489-C514 VanDerWaalsContact O-CA 3.27Å; N489-C514 WeakPolarHBondContact O-CA 3.29Å; N489-N517 WeakPolarHBondContact O-CB 3.38Å; N489-N517 PolarHBondContact O-ND2 2.89Å
490I97.8Very high94.3Very high6 Ų636.2 Ų36.23%0.03118%0.179CC..THydrogen-bonded Turntrans-136.3-60171.2-45.3-170000109.4Q424 W487 E488 N517 L518 I521Q424-I490 PolarHBondContact NE2-O 3.48Å; W487-I490 HydrophobicContact CE3-CB 4.44Å; W487-I490 HydrophobicContact CE3-CD1 4.18Å; W487-I490 HydrophobicContact CE3-CG2 4.21Å; W487-I490 WeakPolarHBondContact O-CB 3.37Å; W487-I490 PolarHBondContact O-N 3.45Å; E488-I490 WeakPolarHBondContact O-CG1 3.35Å; E488-I490 PolarHBondContact O-N 3.37Å; I490-N517 HydrophobicContact CD1-CB 4.21Å; I490-N517 HydrophobicContact CG1-CB 3.85Å; I490-L518 HydrophobicContact CG2-CB 3.91Å; I490-L518 HydrophobicContact CG2-CD1 4.07Å; I490-I521 HydrophobicContact CD1-CD1 3.23Å; I490-I521 HydrophobicContact CD1-CG1 4.27Å
491Y97.8Very high94.7Very high3 Ų333.5 Ų33.51%0.01216%0.164CC..THydrogen-bonded Turntrans-113-12.9179.2-69.2-66.4000113.2L414 F416 N417 P418 Q424 H425 I426 L427 W487 L518L414-Y491 VanDerWaalsContact CD2-O 3.23Å; L414-Y491 WeakPolarHBondContact CD2-O 3.44Å; F416-Y491 HydrophobicContact CB-CD1 3.56Å; F416-Y491 HydrophobicContact CB-CD2 4.27Å; F416-Y491 HydrophobicContact CB-CE1 3.61Å; F416-Y491 HydrophobicContact CB-CE2 4.29Å; F416-Y491 HydrophobicContact CB-CG 3.93Å; F416-Y491 HydrophobicContact CD1-CD2 4.26Å; F416-Y491 HydrophobicContact CD1-CG 4.22Å; F416-Y491 HydrophobicContact CD2-CD1 4.19Å; F416-Y491 AromaticContact CD2-CD2 3.37Å; F416-Y491 HydrophobicContact CD2-CD2 3.37Å; F416-Y491 HydrophobicContact CD2-CE1 4.03Å; F416-Y491 AromaticContact CD2-CE2 3.13Å; F416-Y491 HydrophobicContact CD2-CE2 3.13Å; F416-Y491 AromaticContact CD2-CG 3.91Å; F416-Y491 HydrophobicContact CD2-CG 3.91Å; F416-Y491 AromaticContact CD2-CZ 3.5Å; F416-Y491 HydrophobicContact CE1-CD2 4.43Å; F416-Y491 AromaticContact CE2-CD2 3.59Å; F416-Y491 HydrophobicContact CE2-CD2 3.59Å; F416-Y491 AromaticContact CE2-CE2 3.5Å; F416-Y491 HydrophobicContact CE2-CE2 3.5Å; F416-Y491 VanDerWaalsContact CE2-CE2 3.5Å; F416-Y491 HydrophobicContact CE2-CG 4.44Å; F416-Y491 AromaticContact CG-CD1 3.93Å; F416-Y491 HydrophobicContact CG-CD1 3.93Å; F416-Y491 AromaticContact CG-CD2 3.72Å; F416-Y491 HydrophobicContact CG-CD2 3.72Å; F416-Y491 HydrophobicContact CG-CE1 4.09Å; F416-Y491 AromaticContact CG-CE2 3.86Å; F416-Y491 HydrophobicContact CG-CE2 3.86Å; F416-Y491 AromaticContact CG-CG 3.76Å; F416-Y491 HydrophobicContact CG-CG 3.76Å; F416-Y491 HydrophobicContact CZ-CD2 4.1Å; F416-Y491 HydrophobicContact CZ-CE2 4.44Å; N417-Y491 PolarHBondContact O-OH 2.75Å; N417-Y491 VanDerWaalsContact O-OH 3.07Å; P418-Y491 WeakPolarHBondContact CA-OH 3.31Å; Q424-Y491 HydrophobicContact CG-CE1 4.34Å; H425-Y491 VanDerWaalsContact O-CD1 3.29Å; H425-Y491 WeakPolarHBondContact O-CD1 3.07Å; I426-Y491 CarbonylContact C-O 3.41Å; I426-Y491 VanDerWaalsContact CA-O 3.32Å; I426-Y491 WeakPolarHBondContact CA-O 3.48Å; L427-Y491 PolarHBondContact N-O 3.01Å; W487-Y491 HydrophobicContact CB-CD2 4.2Å; W487-Y491 AromaticContact CD2-CD2 3.97Å; W487-Y491 HydrophobicContact CD2-CD2 3.97Å; W487-Y491 HydrophobicContact CD2-CE2 4.21Å; W487-Y491 AromaticContact CE3-CD2 3.44Å; W487-Y491 HydrophobicContact CE3-CD2 3.44Å; W487-Y491 VanDerWaalsContact CE3-CD2 3.44Å; W487-Y491 AromaticContact CE3-CE2 3.39Å; W487-Y491 HydrophobicContact CE3-CE2 3.39Å; W487-Y491 HydrophobicContact CG-CD2 4.31Å; W487-Y491 HydrophobicContact CZ3-CD2 4.13Å; W487-Y491 AromaticContact CZ3-CE2 3.57Å; W487-Y491 HydrophobicContact CZ3-CE2 3.57Å; W487-Y491 PolarHBondContact O-N 3.38Å; Y491-L518 HydrophobicContact CE2-CD1 4.4Å; Y491-L518 WeakPolarHBondContact OH-CD1 3.47Å
492Y97.5Very high95.3Very high0 Ų038 Ų380%018%0.183CC..EExtended strand (participates in β ladder)trans-149.1160.9171.567.8-91.2000111.3L427 I432 F434 I442 L444 A484 M485 W487 E488 N489L427-Y492 CarbonylContact O-C 3.22Å; L427-Y492 WeakPolarHBondContact O-CA 3.29Å; L427-Y492 WeakPolarHBondContact O-CB 3.42Å; I432-Y492 HydrophobicContact CD1-CD2 3.68Å; I432-Y492 HydrophobicContact CD1-CG 4.09Å; I432-Y492 HydrophobicContact CG2-CD2 3.71Å; I432-Y492 HydrophobicContact CG2-CE2 3.58Å; F434-Y492 AromaticContact CE2-CE2 3.91Å; F434-Y492 HydrophobicContact CE2-CE2 3.91Å; F434-Y492 AromaticContact CE2-CZ 3.71Å; F434-Y492 WeakPolarHBondContact CE2-OH 3.38Å; F434-Y492 HydrophobicContact CZ-CE1 4.47Å; F434-Y492 HydrophobicContact CZ-CE2 4.29Å; F434-Y492 AromaticContact CZ-CZ 3.75Å; F434-Y492 WeakPolarHBondContact CZ-OH 3.38Å; I442-Y492 HydrophobicContact CD1-CD1 3.84Å; I442-Y492 HydrophobicContact CD1-CG 3.78Å; L444-Y492 HydrophobicContact CD1-CD1 3.87Å; L444-Y492 HydrophobicContact CD1-CE1 3.68Å; A484-Y492 WeakPolarHBondContact O-CE1 3.43Å; A484-Y492 PolarHBondContact O-OH 2.87Å; M485-Y492 WeakPolarHBondContact CA-OH 3.49Å; W487-Y492 VanDerWaalsContact C-CE1 3.49Å; W487-Y492 HydrophobicContact CB-CE1 4.05Å; E488-Y492 VanDerWaalsContact CA-CZ 3.44Å; E488-Y492 HydrophobicContact CB-CD2 4.47Å; E488-Y492 HydrophobicContact CB-CE1 4.33Å; E488-Y492 HydrophobicContact CB-CE2 3.6Å; E488-Y492 WeakPolarHBondContact CB-OH 3.22Å; E488-Y492 HydrophobicContact CG-CD2 4.2Å; E488-Y492 HydrophobicContact CG-CE2 3.54Å; N489-Y492 WeakPolarHBondContact CA-O 3.49Å; N489-Y492 PolarHBondContact N-O 2.54Å
493V97.2Very high95.7Very high1 Ų134.3 Ų34.31%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-135124.6178177.10000107.7I426 L427 F428 D429 A495 K510 C514I426-V493 HydrophobicContact CG2-CG2 4.16Å; L427-V493 PolarHBondContact O-N 2.8Å; F428-V493 HydrophobicContact CD1-CB 3.65Å; F428-V493 HydrophobicContact CD1-CG1 3.93Å; F428-V493 HydrophobicContact CD1-CG2 4.19Å; F428-V493 HydrophobicContact CE1-CB 3.69Å; F428-V493 HydrophobicContact CE1-CG1 3.9Å; F428-V493 HydrophobicContact CE1-CG2 3.72Å; F428-V493 HydrophobicContact CG-CB 4.44Å; F428-V493 HydrophobicContact CZ-CB 4.48Å; F428-V493 HydrophobicContact CZ-CG2 4.13Å; D429-V493 PolarHBondContact N-O 3.03Å; V493-A495 PolarHBondContact O-N 2.85Å; V493-A495 VanDerWaalsContact O-N 3.09Å; V493-K510 HydrophobicContact CG1-CB 4.31Å; V493-K510 HydrophobicContact CG1-CD 3.81Å; V493-K510 HydrophobicContact CG1-CG 4Å; V493-K510 HydrophobicContact CG2-CB 4.31Å; V493-C514 VanDerWaalsContact CG2-SG 3.53Å
494Q95.1Very high96Very high20 Ų2036.3 Ų36.39%0.09317%0.166CC..EExtended strand (participates in β ladder)trans-67105.3166.1-175.2-176.55000108.6I156 D429 I432 Y506I156-Q494 HydrophobicContact CG2-CG 3.93Å; D429-Q494 WeakPolarHBondContact O-CA 3.35Å; I432-Q494 HydrophobicContact CB-CB 4.46Å; I432-Q494 VanDerWaalsContact O-CD 3.32Å; I432-Q494 WeakPolarHBondContact O-CG 3.43Å; I432-Q494 PolarHBondContact O-NE2 3.08Å; Q494-Y506 PolarHBondContact O-OH 2.8Å
495A95.6Very high96.3Very high0 Ų039.1 Ų39.10%018%0.181CC..  trans-71.6131.9-172.700000111.3T19 I156 D429 D430 V493 I500T19-A495 HydrophobicContact CG2-CB 3.94Å; I156-A495 WeakPolarHBondContact CD1-O 3.42Å; D429-A495 PolarHBondContact O-N 3.35Å; D430-A495 WeakPolarHBondContact CA-O 3.41Å; D430-A495 HydrophobicContact CB-CB 4.35Å; D430-A495 WeakPolarHBondContact CB-O 3.37Å; V493-A495 PolarHBondContact O-N 2.85Å; V493-A495 VanDerWaalsContact O-N 3.09Å; A495-I500 HydrophobicContact CB-CD1 4.05Å
496D95.4Very high96.6Very high39 Ų3935.4 Ų35.421%0.20916%0.162CC..  trans-105.6105.9-178.9-173.3-33.7000112.1I156 L498 E499 I500 Y506I156-D496 HydrophobicContact CD1-CB 3.31Å; D496-L498 VanDerWaalsContact C-N 3.32Å; D496-L498 PolarHBondContact O-N 3.48Å; D496-L498 PolarHBondContact OD1-N 3.13Å; D496-E499 HydrophobicContact CB-CB 4Å; D496-E499 HydrophobicContact CB-CG 4.39Å; D496-E499 PolarHBondContact O-N 3.18Å; D496-E499 PolarHBondContact OD1-N 2.9Å; D496-I500 VanDerWaalsContact O-CB 3.29Å; D496-I500 WeakPolarHBondContact O-CB 3.16Å; D496-I500 VanDerWaalsContact O-CD1 3.3Å; D496-I500 WeakPolarHBondContact O-CD1 3.34Å; D496-I500 WeakPolarHBondContact O-CG1 2.89Å; D496-I500 PolarHBondContact O-N 3.39Å; D496-Y506 HydrophobicContact CB-CE2 4.09Å; D496-Y506 PolarHBondContact N-OH 2.97Å
497L96.4Very high96.9Very high0 Ų028.9 Ų28.90%013%0.134CC..Hα-helixtrans-59.9-43.3-175.2-178.766.8000111.8N18 L22 L35 Y38 M279 I500 I501N18-L497 HydrophobicContact CB-CD2 4.5Å; N18-L497 VanDerWaalsContact O-CD1 3.29Å; N18-L497 WeakPolarHBondContact O-CD1 3.2Å; L22-L497 HydrophobicContact CD1-CD1 3.73Å; L22-L497 HydrophobicContact CD2-CD2 3.97Å; L22-L497 HydrophobicContact CG-CD1 3.97Å; L22-L497 HydrophobicContact CG-CD2 3.98Å; L35-L497 HydrophobicContact CD1-CD2 4.42Å; Y38-L497 HydrophobicContact CD1-CB 3.97Å; Y38-L497 HydrophobicContact CD1-CD2 3.68Å; Y38-L497 HydrophobicContact CD1-CG 4.35Å; Y38-L497 HydrophobicContact CD2-CB 3.9Å; Y38-L497 HydrophobicContact CD2-CD2 3.57Å; Y38-L497 HydrophobicContact CD2-CG 4.38Å; Y38-L497 HydrophobicContact CE1-CB 3.56Å; Y38-L497 HydrophobicContact CE1-CD2 4.19Å; Y38-L497 HydrophobicContact CE1-CG 4.4Å; Y38-L497 HydrophobicContact CE2-CB 3.47Å; Y38-L497 VanDerWaalsContact CE2-CB 3.47Å; Y38-L497 HydrophobicContact CE2-CD2 4.08Å; Y38-L497 HydrophobicContact CE2-CG 4.41Å; Y38-L497 HydrophobicContact CG-CB 4.13Å; Y38-L497 HydrophobicContact CG-CD2 3.33Å; Y38-L497 HydrophobicContact CG-CG 4.34Å; Y38-L497 PolarHBondContact OH-N 3.44Å; Y38-L497 VanDerWaalsContact OH-N 3.07Å; M279-L497 HydrophobicContact CE-CD1 3.17Å; M279-L497 HydrophobicContact CE-CG 4.24Å; L497-I500 PolarHBondContact O-N 3.42Å; L497-I501 HydrophobicContact CD1-CD1 4.41Å; L497-I501 HydrophobicContact CG-CD1 4.07Å; L497-I501 WeakPolarHBondContact O-CG1 3.4Å; L497-I501 PolarHBondContact O-N 3.37Å
498L96.6Very high97Very high15 Ų1528.1 Ų28.18%0.07913%0.131CC..Hα-helixtrans-67.6-42.9-176.9-63-170.8000110.3L35 Y38 I42 L203 D496 I501 K502L35-L498 HydrophobicContact CD1-CD2 4.16Å; Y38-L498 HydrophobicContact CD1-CD2 4.37Å; Y38-L498 HydrophobicContact CD1-CG 4.44Å; Y38-L498 HydrophobicContact CE1-CD2 4.42Å; Y38-L498 HydrophobicContact CE1-CG 4.03Å; I42-L498 HydrophobicContact CD1-CD1 3.55Å; I42-L498 HydrophobicContact CD1-CG 4.23Å; L203-L498 HydrophobicContact CD2-CD1 4.03Å; D496-L498 VanDerWaalsContact C-N 3.32Å; D496-L498 PolarHBondContact O-N 3.48Å; D496-L498 PolarHBondContact OD1-N 3.13Å; L498-I501 PolarHBondContact O-N 3.43Å; L498-K502 WeakPolarHBondContact O-CB 3.17Å; L498-K502 PolarHBondContact O-N 3.09Å
499E96.6Very high97.2Very high75 Ų7531.4 Ų31.435%0.3515%0.147SC..Hα-helixtrans-69.6-32.2174.9-70-63.2140.600112.6D496 K502 N503 Y506D496-E499 HydrophobicContact CB-CB 4Å; D496-E499 HydrophobicContact CB-CG 4.39Å; D496-E499 PolarHBondContact O-N 3.18Å; D496-E499 PolarHBondContact OD1-N 2.9Å; E499-K502 PolarHBondContact O-N 2.84Å; E499-K502 IonicContact OE1-NZ 3.82Å; E499-N503 WeakPolarHBondContact O-CA 3.5Å; E499-N503 VanDerWaalsContact O-CB 3.3Å; E499-N503 WeakPolarHBondContact O-CB 3.35Å; E499-N503 PolarHBondContact O-N 2.94Å; E499-Y506 HydrophobicContact CB-CD2 3.81Å; E499-Y506 HydrophobicContact CB-CE2 3.87Å
500I97.8Very high97.2Very high2 Ų232.2 Ų32.21%0.0115%0.149CC..Hα-helixtrans-64-41.2173.2-72.3160.8000110.9M279 A281 A495 D496 L497 Y506 F507M279-I500 HydrophobicContact CB-CG2 3.79Å; M279-I500 HydrophobicContact CE-CB 4.48Å; M279-I500 HydrophobicContact CE-CG2 3.89Å; M279-I500 HydrophobicContact CG-CG2 3.61Å; M279-I500 HydrophobicContact SD-CG2 4.23Å; A281-I500 HydrophobicContact CB-CG2 4.19Å; A495-I500 HydrophobicContact CB-CD1 4.05Å; D496-I500 VanDerWaalsContact O-CB 3.29Å; D496-I500 WeakPolarHBondContact O-CB 3.16Å; D496-I500 VanDerWaalsContact O-CD1 3.3Å; D496-I500 WeakPolarHBondContact O-CD1 3.34Å; D496-I500 WeakPolarHBondContact O-CG1 2.89Å; D496-I500 PolarHBondContact O-N 3.39Å; L497-I500 PolarHBondContact O-N 3.42Å; I500-Y506 HydrophobicContact CB-CD1 4.5Å; I500-Y506 HydrophobicContact CD1-CD1 4.14Å; I500-Y506 HydrophobicContact CD1-CE1 3.89Å; I500-Y506 HydrophobicContact CG1-CD1 3.3Å; I500-Y506 HydrophobicContact CG1-CD2 4.25Å; I500-Y506 HydrophobicContact CG1-CE1 3.5Å; I500-Y506 VanDerWaalsContact CG1-CE1 3.5Å; I500-Y506 HydrophobicContact CG1-CE2 4.39Å; I500-Y506 HydrophobicContact CG1-CG 3.72Å; I500-F507 HydrophobicContact CD1-CE1 3.99Å; I500-F507 HydrophobicContact CD1-CZ 3.75Å; I500-F507 HydrophobicContact CG1-CE1 4.24Å; I500-F507 HydrophobicContact CG1-CE2 4.44Å; I500-F507 HydrophobicContact CG1-CZ 3.91Å; I500-F507 HydrophobicContact CG2-CE2 4.06Å; I500-F507 HydrophobicContact CG2-CZ 4.08Å
501I97Very high97.3Very high20 Ų2031.9 Ų31.910%0.10315%0.147CC..Hα-helixtrans-63.7-47176-67.9166.3000110.1L35 H207 M210 L211 M279 L497 L498L35-I501 HydrophobicContact CD1-CD1 4.33Å; H207-I501 HydrophobicContact CB-CD1 4.13Å; H207-I501 HydrophobicContact CB-CG2 4.36Å; M210-I501 HydrophobicContact CB-CG2 3.54Å; M210-I501 HydrophobicContact CG-CG2 4.4Å; M210-I501 HydrophobicContact SD-CG2 4.04Å; L211-I501 HydrophobicContact CD1-CD1 3.83Å; L211-I501 HydrophobicContact CD1-CG1 4.29Å; L211-I501 HydrophobicContact CD2-CG1 4.05Å; L211-I501 HydrophobicContact CG-CD1 4.27Å; L211-I501 HydrophobicContact CG-CG1 4.22Å; L211-I501 HydrophobicContact CG-CG2 4.19Å; M279-I501 HydrophobicContact CE-CB 4.4Å; M279-I501 HydrophobicContact CE-CD1 3.97Å; M279-I501 HydrophobicContact CE-CG1 3.2Å; M279-I501 HydrophobicContact SD-CG1 3.93Å; L497-I501 HydrophobicContact CD1-CD1 4.41Å; L497-I501 HydrophobicContact CG-CD1 4.07Å; L497-I501 WeakPolarHBondContact O-CG1 3.4Å; L497-I501 PolarHBondContact O-N 3.37Å; L498-I501 PolarHBondContact O-N 3.43Å
502K96.5Very high97.3Very high129 Ų12934.5 Ų34.556%0.56116%0.162SC*.Hα-helixtrans-79.6-37.7-170.5-176.6-177.6171.8-166.40113.3M210 L498 E499M210-K502 HydrophobicContact SD-CB 4.33Å; L498-K502 WeakPolarHBondContact O-CB 3.17Å; L498-K502 PolarHBondContact O-N 3.09Å; E499-K502 PolarHBondContact O-N 2.84Å; E499-K502 IonicContact OE1-NZ 3.82Å
503N97.3Very high97.3Very high37 Ų3737.5 Ų37.520%0.19818%0.176CC..  trans-109103.5-175.8-176.23.1000111.4E499 N505 Y506 E509E499-N503 WeakPolarHBondContact O-CA 3.5Å; E499-N503 VanDerWaalsContact O-CB 3.3Å; E499-N503 WeakPolarHBondContact O-CB 3.35Å; E499-N503 PolarHBondContact O-N 2.94Å; N503-N505 PolarHBondContact O-N 3.37Å; N503-N505 PolarHBondContact OD1-N 3.42Å; N503-Y506 VanDerWaalsContact O-CB 3.26Å; N503-Y506 WeakPolarHBondContact O-CB 3.39Å; N503-Y506 PolarHBondContact O-N 3.23Å; N503-E509 PolarHBondContact ND2-OE1 3.43Å; N503-E509 PolarHBondContact ND2-OE2 3.44Å
504R96.1Very high97.4Very high99 Ų9937.5 Ų37.537%0.37418%0.175SC..THydrogen-bonded Turntrans-60.9-17.8177-162.8163.4175.4170.2-8.1113.9A281 R284 Q324 E325A281-R504 WeakPolarHBondContact CA-O 3.17Å; R284-R504 HydrophobicContact CB-CG 4Å; R284-R504 VanDerWaalsContact CB-O 3.29Å; R284-R504 WeakPolarHBondContact CB-O 3.15Å; R284-R504 HydrophobicContact CG-CG 4.19Å; R284-R504 VanDerWaalsContact CG-O 3.25Å; R284-R504 WeakPolarHBondContact CG-O 3.34Å; Q324-R504 PolarHBondContact O-NH2 2.87Å; Q324-R504 VanDerWaalsContact O-NH2 3.15Å; E325-R504 VanDerWaalsContact CG-NH2 3.35Å; E325-R504 IonicContact OE1-CZ 2.64Å; E325-R504 IonicContact OE1-NE 2.78Å; E325-R504 PolarHBondContact OE1-NE 2.9Å; E325-R504 IonicContact OE1-NH2 2.68Å; E325-R504 PolarHBondContact OE1-NH2 3.35Å
505N98.1Very high97.5Very high64 Ų6437.4 Ų37.434%0.34218%0.175SC..THydrogen-bonded Turntrans-102.36.6176.1-62.3-48.7000113.7R284 N503 F507 I508 E509R284-N505 PolarHBondContact NE-OD1 3.04Å; N503-N505 PolarHBondContact O-N 3.37Å; N503-N505 PolarHBondContact OD1-N 3.42Å; N505-F507 PolarHBondContact O-N 3.01Å; N505-I508 WeakPolarHBondContact O-CA 3.41Å; N505-I508 WeakPolarHBondContact O-CB 3.38Å; N505-I508 PolarHBondContact O-N 3.25Å; N505-E509 HydrophobicContact CB-CG 4.38Å; N505-E509 PolarHBondContact O-N 2.93Å
506Y98.6Very high97.5Very high11 Ų1143.7 Ų43.74%0.04321%0.206CC..Hα-helixtrans-45-54.2-174175.4-89.6000113.4Q494 D496 E499 I500 N503 I508 E509 K510Q494-Y506 PolarHBondContact O-OH 2.8Å; D496-Y506 HydrophobicContact CB-CE2 4.09Å; D496-Y506 PolarHBondContact N-OH 2.97Å; E499-Y506 HydrophobicContact CB-CD2 3.81Å; E499-Y506 HydrophobicContact CB-CE2 3.87Å; I500-Y506 HydrophobicContact CB-CD1 4.5Å; I500-Y506 HydrophobicContact CD1-CD1 4.14Å; I500-Y506 HydrophobicContact CD1-CE1 3.89Å; I500-Y506 HydrophobicContact CG1-CD1 3.3Å; I500-Y506 HydrophobicContact CG1-CD2 4.25Å; I500-Y506 HydrophobicContact CG1-CE1 3.5Å; I500-Y506 VanDerWaalsContact CG1-CE1 3.5Å; I500-Y506 HydrophobicContact CG1-CE2 4.39Å; I500-Y506 HydrophobicContact CG1-CG 3.72Å; N503-Y506 VanDerWaalsContact O-CB 3.26Å; N503-Y506 WeakPolarHBondContact O-CB 3.39Å; N503-Y506 PolarHBondContact O-N 3.23Å; Y506-I508 VanDerWaalsContact C-N 3.33Å; Y506-I508 PolarHBondContact O-N 3.34Å; Y506-E509 PolarHBondContact O-N 2.96Å; Y506-K510 HydrophobicContact CD1-CG 4.35Å; Y506-K510 HydrophobicContact CE1-CG 3.95Å; Y506-K510 HydrophobicContact CE2-CG 4.28Å; Y506-K510 WeakPolarHBondContact O-CG 3.41Å; Y506-K510 PolarHBondContact O-N 3.11Å
507F98.7Very high97.6Very high1 Ų143.8 Ų43.80%0.00421%0.207CC..Hα-helixtrans-67.3-33.8-177.8-63.5-63000112.9F14 T19 A281 F282 L285 F428 I500 N505 K510 V511F14-F507 HydrophobicContact CD1-CE1 4.26Å; F14-F507 AromaticContact CE1-CD1 3.68Å; F14-F507 HydrophobicContact CE1-CD1 3.68Å; F14-F507 AromaticContact CE1-CE1 3.64Å; F14-F507 HydrophobicContact CE1-CE1 3.64Å; F14-F507 HydrophobicContact CE1-CG 4.23Å; F14-F507 HydrophobicContact CE1-CZ 4.15Å; F14-F507 HydrophobicContact CZ-CD1 4.39Å; T19-F507 HydrophobicContact CG2-CE1 4.42Å; A281-F507 HydrophobicContact CB-CD2 3.97Å; A281-F507 HydrophobicContact CB-CE2 4.04Å; F282-F507 HydrophobicContact CB-CD2 4.44Å; F282-F507 HydrophobicContact CB-CE2 4.06Å; L285-F507 HydrophobicContact CB-CB 4.11Å; L285-F507 HydrophobicContact CD1-CB 4.18Å; L285-F507 HydrophobicContact CD2-CB 3.88Å; L285-F507 HydrophobicContact CD2-CG 4.4Å; L285-F507 HydrophobicContact CG-CB 4.27Å; F428-F507 AromaticContact CD1-CD1 3.76Å; F428-F507 HydrophobicContact CD1-CD1 3.76Å; F428-F507 AromaticContact CD1-CE1 3.98Å; F428-F507 HydrophobicContact CD1-CE1 3.98Å; F428-F507 AromaticContact CE1-CD1 3.83Å; F428-F507 HydrophobicContact CE1-CD1 3.83Å; F428-F507 HydrophobicContact CE1-CE1 4.49Å; F428-F507 HydrophobicContact CG-CD1 4.28Å; F428-F507 HydrophobicContact CG-CE1 4.34Å; F428-F507 HydrophobicContact CZ-CD1 4.41Å; I500-F507 HydrophobicContact CD1-CE1 3.99Å; I500-F507 HydrophobicContact CD1-CZ 3.75Å; I500-F507 HydrophobicContact CG1-CE1 4.24Å; I500-F507 HydrophobicContact CG1-CE2 4.44Å; I500-F507 HydrophobicContact CG1-CZ 3.91Å; I500-F507 HydrophobicContact CG2-CE2 4.06Å; I500-F507 HydrophobicContact CG2-CZ 4.08Å; N505-F507 PolarHBondContact O-N 3.01Å; F507-K510 PolarHBondContact O-N 3.01Å; F507-V511 WeakPolarHBondContact O-CB 3.46Å; F507-V511 VanDerWaalsContact O-CG2 3.25Å; F507-V511 WeakPolarHBondContact O-CG2 3.37Å; F507-V511 PolarHBondContact O-N 3.22Å
508I98.6Very high97.6Very high12 Ų1243.8 Ų43.86%0.06221%0.207CC..Hα-helixtrans-65.8-46.6177.2-63.2166.5000109.5R284 L285 W288 N505 Y506 K510 V511 N512R284-I508 HydrophobicContact CG-CD1 3.89Å; L285-I508 HydrophobicContact CB-CG1 4.44Å; L285-I508 HydrophobicContact CD1-CG1 4Å; W288-I508 HydrophobicContact CB-CD1 3.45Å; W288-I508 VanDerWaalsContact CB-CD1 3.45Å; W288-I508 HydrophobicContact CB-CG1 3.95Å; W288-I508 HydrophobicContact CD2-CB 4.48Å; W288-I508 HydrophobicContact CD2-CD1 4.29Å; W288-I508 HydrophobicContact CD2-CG1 3.96Å; W288-I508 HydrophobicContact CD2-CG2 3.83Å; W288-I508 HydrophobicContact CE3-CG1 4.14Å; W288-I508 HydrophobicContact CE3-CG2 4.36Å; W288-I508 HydrophobicContact CG-CD1 3.66Å; W288-I508 HydrophobicContact CG-CG1 3.88Å; W288-I508 HydrophobicContact CG-CG2 4.1Å; W288-I508 HydrophobicContact CZ2-CG2 4.06Å; N505-I508 WeakPolarHBondContact O-CA 3.41Å; N505-I508 WeakPolarHBondContact O-CB 3.38Å; N505-I508 PolarHBondContact O-N 3.25Å; Y506-I508 VanDerWaalsContact C-N 3.33Å; Y506-I508 PolarHBondContact O-N 3.34Å; I508-K510 VanDerWaalsContact C-N 3.32Å; I508-K510 PolarHBondContact O-N 2.74Å; I508-V511 PolarHBondContact O-N 3.22Å; I508-N512 VanDerWaalsContact O-CG 3.29Å; I508-N512 PolarHBondContact O-N 3.24Å; I508-N512 PolarHBondContact O-ND2 3.42Å
509E98.7Very high97.5Very high98 Ų9845.3 Ų45.346%0.45822%0.215SC..Hα-helixtrans-59.4-44.8176.8-69.5169.5-161.300111N503 N505 Y506 N512 E513N503-E509 PolarHBondContact ND2-OE1 3.43Å; N503-E509 PolarHBondContact ND2-OE2 3.44Å; N505-E509 HydrophobicContact CB-CG 4.38Å; N505-E509 PolarHBondContact O-N 2.93Å; Y506-E509 PolarHBondContact O-N 2.96Å; E509-N512 PolarHBondContact O-N 3.07Å; E509-E513 WeakPolarHBondContact O-CB 3.32Å; E509-E513 PolarHBondContact O-N 3.03Å
510K98.6Very high97.4Very high44 Ų4448 Ų4819%0.19122%0.222CC..Hα-helixtrans-67.7-38.2177.9-70.8-64.2176.5-171.20114.3F428 V493 Y506 F507 I508 E513 C514F428-K510 HydrophobicContact CE1-CB 3.7Å; F428-K510 HydrophobicContact CE1-CG 4.44Å; F428-K510 HydrophobicContact CZ-CB 4.14Å; V493-K510 HydrophobicContact CG1-CB 4.31Å; V493-K510 HydrophobicContact CG1-CD 3.81Å; V493-K510 HydrophobicContact CG1-CG 4Å; V493-K510 HydrophobicContact CG2-CB 4.31Å; Y506-K510 HydrophobicContact CD1-CG 4.35Å; Y506-K510 HydrophobicContact CE1-CG 3.95Å; Y506-K510 HydrophobicContact CE2-CG 4.28Å; Y506-K510 WeakPolarHBondContact O-CG 3.41Å; Y506-K510 PolarHBondContact O-N 3.11Å; F507-K510 PolarHBondContact O-N 3.01Å; I508-K510 VanDerWaalsContact C-N 3.32Å; I508-K510 PolarHBondContact O-N 2.74Å; K510-E513 WeakPolarHBondContact CD-OE2 3.5Å; K510-E513 IonicContact NZ-OE2 2.75Å; K510-E513 PolarHBondContact NZ-OE2 3.39Å; K510-E513 PolarHBondContact O-N 2.94Å; K510-C514 PolarHBondContact O-N 2.87Å; K510-C514 PolarHBondContact O-SG 3.31Å
511V98.5Very high97.1Very high0 Ų049.2 Ų49.20%023%0.228CC..Hα-helixtrans-61.2-48.4171.9165.30000110.1L10 L12 L285 W288 I426 F428 F507 I508 E513 C514 E515L10-V511 HydrophobicContact CD1-CG1 3.48Å; L10-V511 VanDerWaalsContact CD1-CG1 3.48Å; L10-V511 HydrophobicContact CD2-CG1 4.34Å; L12-V511 HydrophobicContact CD1-CG2 4.38Å; L12-V511 HydrophobicContact CD2-CG2 4.03Å; L285-V511 HydrophobicContact CD1-CG2 4.39Å; W288-V511 HydrophobicContact CH2-CG1 4.1Å; W288-V511 HydrophobicContact CZ3-CG1 4.15Å; I426-V511 HydrophobicContact CD1-CG2 4.44Å; F428-V511 HydrophobicContact CE2-CG2 4.31Å; F428-V511 HydrophobicContact CZ-CG2 4Å; F507-V511 WeakPolarHBondContact O-CB 3.46Å; F507-V511 VanDerWaalsContact O-CG2 3.25Å; F507-V511 WeakPolarHBondContact O-CG2 3.37Å; F507-V511 PolarHBondContact O-N 3.22Å; I508-V511 PolarHBondContact O-N 3.22Å; V511-E513 VanDerWaalsContact C-N 3.33Å; V511-E513 PolarHBondContact O-N 3.17Å; V511-C514 WeakPolarHBondContact O-CB 3.2Å; V511-C514 PolarHBondContact O-N 3.11Å; V511-C514 VanDerWaalsContact O-N 3.16Å; V511-E515 WeakPolarHBondContact O-CG 3.36Å; V511-E515 PolarHBondContact O-N 3.45Å
512N97.9Very high96.8Very high58 Ų5848.5 Ų48.531%0.3122%0.224SC..Hα-helixtrans-61.6-41178.8-68.7-41.1000111.9I508 E509 C514 E515 M516I508-N512 VanDerWaalsContact O-CG 3.29Å; I508-N512 PolarHBondContact O-N 3.24Å; I508-N512 PolarHBondContact O-ND2 3.42Å; E509-N512 PolarHBondContact O-N 3.07Å; N512-C514 PolarHBondContact O-N 3.45Å; N512-E515 PolarHBondContact O-N 3.19Å; N512-M516 WeakPolarHBondContact O-CB 3.44Å; N512-M516 VanDerWaalsContact O-CG 3.28Å; N512-M516 WeakPolarHBondContact O-CG 3.31Å; N512-M516 PolarHBondContact O-N 3.11Å
513E98.3Very high96.5Very high63 Ų6347 Ų4729%0.29422%0.222SC..Hα-helixtrans-57.6-46.9173.6-173.1-175.5172.300111.2N489 E509 K510 V511 E515 M516 N517N489-E513 HydrophobicContact CB-CG 4.25Å; N489-E513 PolarHBondContact ND2-OE1 2.79Å; E509-E513 WeakPolarHBondContact O-CB 3.32Å; E509-E513 PolarHBondContact O-N 3.03Å; K510-E513 WeakPolarHBondContact CD-OE2 3.5Å; K510-E513 IonicContact NZ-OE2 2.75Å; K510-E513 PolarHBondContact NZ-OE2 3.39Å; K510-E513 PolarHBondContact O-N 2.94Å; V511-E513 VanDerWaalsContact C-N 3.33Å; V511-E513 PolarHBondContact O-N 3.17Å; E513-E515 PolarHBondContact O-N 3.21Å; E513-M516 PolarHBondContact O-N 3.2Å; E513-N517 WeakPolarHBondContact O-CB 3.49Å; E513-N517 VanDerWaalsContact O-CG 3.32Å; E513-N517 PolarHBondContact O-N 2.83Å; E513-N517 PolarHBondContact O-ND2 2.9Å
514C98.5Very high96.1Very high0 Ų051 Ų510%024%0.24CC..Hα-helixtrans-61.7-42.4178-66.80000113.3Q424 I426 N489 V493 K510 V511 N512 L518Q424-C514 PolarHBondContact NE2-O 2.91Å; I426-C514 HydrophobicContact CD1-CB 3.54Å; I426-C514 HydrophobicContact CG1-CB 4.2Å; N489-C514 VanDerWaalsContact O-CA 3.27Å; N489-C514 WeakPolarHBondContact O-CA 3.29Å; V493-C514 VanDerWaalsContact CG2-SG 3.53Å; K510-C514 PolarHBondContact O-N 2.87Å; K510-C514 PolarHBondContact O-SG 3.31Å; V511-C514 WeakPolarHBondContact O-CB 3.2Å; V511-C514 PolarHBondContact O-N 3.11Å; V511-C514 VanDerWaalsContact O-N 3.16Å; N512-C514 PolarHBondContact O-N 3.45Å; C514-L518 WeakPolarHBondContact O-CB 3.46Å; C514-L518 PolarHBondContact O-N 2.94Å
515E96.8Very high95.1Very high18 Ų1851.2 Ų51.28%0.08425%0.248CC..Hα-helixtrans-65.4-45.8177.2-64.3-156.172.600111.5L10 R294 V511 N512 E513 N517 L518 D519L10-E515 HydrophobicContact CD2-CG 4.25Å; R294-E515 IonicContact CZ-OE1 3.63Å; R294-E515 IonicContact CZ-OE2 2.94Å; R294-E515 IonicContact NE-OE2 3.46Å; R294-E515 IonicContact NH2-OE1 3.16Å; R294-E515 PolarHBondContact NH2-OE1 2.71Å; R294-E515 IonicContact NH2-OE2 3.12Å; R294-E515 PolarHBondContact NH2-OE2 2.72Å; V511-E515 WeakPolarHBondContact O-CG 3.36Å; V511-E515 PolarHBondContact O-N 3.45Å; N512-E515 PolarHBondContact O-N 3.19Å; E513-E515 PolarHBondContact O-N 3.21Å; E515-N517 VanDerWaalsContact C-N 3.34Å; E515-N517 PolarHBondContact O-N 2.74Å; E515-L518 PolarHBondContact O-N 2.96Å; E515-D519 PolarHBondContact O-N 2.85Å
516M96.4Very high93.4Very high133 Ų13355.3 Ų55.366%0.65527%0.266SS*.Hα-helixtrans-60.3-42.5178.3-74.2176.359.400112N512 E513 D519 R520N512-M516 WeakPolarHBondContact O-CB 3.44Å; N512-M516 VanDerWaalsContact O-CG 3.28Å; N512-M516 WeakPolarHBondContact O-CG 3.31Å; N512-M516 PolarHBondContact O-N 3.11Å; E513-M516 PolarHBondContact O-N 3.2Å; M516-D519 PolarHBondContact O-N 2.8Å; M516-R520 PolarHBondContact O-N 2.98Å
517N97.3Very high93.2Very high41 Ų4157.5 Ų57.522%0.21928%0.278CS..Hα-helixtrans-68.4-38.6178-72.1-26.5000112.1N489 I490 E513 E515 R520 I521N489-N517 WeakPolarHBondContact O-CB 3.38Å; N489-N517 PolarHBondContact O-ND2 2.89Å; I490-N517 HydrophobicContact CD1-CB 4.21Å; I490-N517 HydrophobicContact CG1-CB 3.85Å; E513-N517 WeakPolarHBondContact O-CB 3.49Å; E513-N517 VanDerWaalsContact O-CG 3.32Å; E513-N517 PolarHBondContact O-N 2.83Å; E513-N517 PolarHBondContact O-ND2 2.9Å; E515-N517 VanDerWaalsContact C-N 3.34Å; E515-N517 PolarHBondContact O-N 2.74Å; N517-R520 WeakPolarHBondContact O-CB 3.48Å; N517-R520 PolarHBondContact O-N 2.79Å; N517-I521 PolarHBondContact O-N 3.02Å; N517-I521 VanDerWaalsContact O-N 3.09Å
518L96Very high92.9Very high0 Ų060.5 Ų60.50%029%0.292CS..Hα-helixtrans-65.9-40.8174-176.857.9000111.7Q424 I490 Y491 C514 E515 R520 I521 Q522Q424-L518 HydrophobicContact CB-CD2 4.08Å; Q424-L518 VanDerWaalsContact CD-CD2 3.42Å; Q424-L518 HydrophobicContact CG-CD2 3.77Å; I490-L518 HydrophobicContact CG2-CB 3.91Å; I490-L518 HydrophobicContact CG2-CD1 4.07Å; Y491-L518 HydrophobicContact CE2-CD1 4.4Å; Y491-L518 WeakPolarHBondContact OH-CD1 3.47Å; C514-L518 WeakPolarHBondContact O-CB 3.46Å; C514-L518 PolarHBondContact O-N 2.94Å; E515-L518 PolarHBondContact O-N 2.96Å; L518-R520 VanDerWaalsContact C-N 3.3Å; L518-R520 PolarHBondContact O-N 2.98Å; L518-I521 PolarHBondContact O-N 3.12Å; L518-Q522 HydrophobicContact CD1-CG 4.08Å; L518-Q522 HydrophobicContact CG-CG 4.33Å; L518-Q522 WeakPolarHBondContact O-CB 3.25Å; L518-Q522 WeakPolarHBondContact O-CG 3.11Å; L518-Q522 PolarHBondContact O-N 3.19Å
519D94.6Very high92.6Very high47 Ų4763.2 Ų63.225%0.25131%0.305SS..Hα-helixtrans-58.3-42.1173.3-84.2-48.4000111.5K5 R8 E515 M516 Q522 N523K5-D519 IonicContact NZ-OD1 2.89Å; K5-D519 PolarHBondContact NZ-OD1 3.04Å; R8-D519 IonicContact CZ-OD1 2.9Å; R8-D519 VanDerWaalsContact NH1-CG 3.32Å; R8-D519 IonicContact NH1-OD1 3.62Å; R8-D519 PolarHBondContact NH1-OD1 2.99Å; R8-D519 VanDerWaalsContact NH1-OD1 3.15Å; R8-D519 IonicContact NH1-OD2 3.81Å; R8-D519 PolarHBondContact NH1-OD2 3.04Å; R8-D519 VanDerWaalsContact NH1-OD2 3.11Å; R8-D519 IonicContact NH2-OD1 3.69Å; R8-D519 PolarHBondContact NH2-OD1 2.88Å; R8-D519 IonicContact NH2-OD2 3.75Å; E515-D519 PolarHBondContact O-N 2.85Å; M516-D519 PolarHBondContact O-N 2.8Å; D519-Q522 PolarHBondContact O-N 3.2Å; D519-N523 WeakPolarHBondContact O-CB 3.25Å; D519-N523 PolarHBondContact O-N 3.07Å; D519-N523 PolarHBondContact O-ND2 3.1Å; D519-N523 VanDerWaalsContact O-ND2 3.08Å
520R94.5Very high92.2Very high132 Ų13261.1 Ų61.150%0.49830%0.296SS..Hα-helixtrans-59.8-50.7175.8-174.9177.76889.2-4.2111.8M516 N517 L518 Q522 N523 E524M516-R520 PolarHBondContact O-N 2.98Å; N517-R520 WeakPolarHBondContact O-CB 3.48Å; N517-R520 PolarHBondContact O-N 2.79Å; L518-R520 VanDerWaalsContact C-N 3.3Å; L518-R520 PolarHBondContact O-N 2.98Å; R520-Q522 PolarHBondContact O-N 3.02Å; R520-N523 PolarHBondContact O-N 2.93Å; R520-E524 WeakPolarHBondContact CG-OE1 3.3Å; R520-E524 IonicContact CZ-OE1 2.88Å; R520-E524 IonicContact NH1-OE1 3.18Å; R520-E524 PolarHBondContact NH1-OE1 2.92Å; R520-E524 IonicContact NH1-OE2 3.87Å; R520-E524 WeakPolarHBondContact O-CG 3.29Å; R520-E524 PolarHBondContact O-N 2.86Å
521I92.2Very high91.8Very high27 Ų2762.2 Ų62.214%0.13830%0.302CS..Hα-helixtrans-60.9-45.2178.3-68.8-173.7000111.2W487 I490 N517 L518 N523 E524 L525W487-I521 HydrophobicContact CE3-CD1 4.25Å; W487-I521 HydrophobicContact CH2-CD1 4.42Å; W487-I521 HydrophobicContact CZ3-CD1 3.73Å; W487-I521 HydrophobicContact CZ3-CG2 4.46Å; I490-I521 HydrophobicContact CD1-CD1 3.23Å; I490-I521 HydrophobicContact CD1-CG1 4.27Å; N517-I521 PolarHBondContact O-N 3.02Å; N517-I521 VanDerWaalsContact O-N 3.09Å; L518-I521 PolarHBondContact O-N 3.12Å; I521-N523 VanDerWaalsContact C-N 3.25Å; I521-N523 PolarHBondContact O-N 3.49Å; I521-E524 PolarHBondContact O-N 2.95Å; I521-L525 HydrophobicContact CG2-CD1 3.84Å; I521-L525 HydrophobicContact CG2-CG 4.29Å; I521-L525 WeakPolarHBondContact O-CG 3.16Å; I521-L525 PolarHBondContact O-N 2.83Å
522Q91.6Very high91.3Very high4 Ų466.3 Ų66.32%0.01932%0.322CS..Hα-helixtrans-65.8-29.6-179.4-74.1-176.8-6.400112.8P418 D420 L518 D519 R520 M526P418-Q522 WeakPolarHBondContact O-CG 3.29Å; P418-Q522 PolarHBondContact O-NE2 2.89Å; D420-Q522 PolarHBondContact O-NE2 2.95Å; L518-Q522 HydrophobicContact CD1-CG 4.08Å; L518-Q522 HydrophobicContact CG-CG 4.33Å; L518-Q522 WeakPolarHBondContact O-CB 3.25Å; L518-Q522 WeakPolarHBondContact O-CG 3.11Å; L518-Q522 PolarHBondContact O-N 3.19Å; D519-Q522 PolarHBondContact O-N 3.2Å; R520-Q522 PolarHBondContact O-N 3.02Å; Q522-M526 HydrophobicContact CB-CE 4.33Å; Q522-M526 VanDerWaalsContact O-CE 3.25Å; Q522-M526 WeakPolarHBondContact O-CE 3.31Å; Q522-M526 WeakPolarHBondContact O-CG 3.42Å; Q522-M526 PolarHBondContact O-N 3.37Å
523N90.3Very high90.9Very high99 Ų9966.9 Ų66.953%0.52932%0.323SS..Hα-helixtrans-75.7-27.7172.7-68-26.4000112.6D519 R520 I521D519-N523 WeakPolarHBondContact O-CB 3.25Å; D519-N523 PolarHBondContact O-N 3.07Å; D519-N523 PolarHBondContact O-ND2 3.1Å; D519-N523 VanDerWaalsContact O-ND2 3.08Å; R520-N523 PolarHBondContact O-N 2.93Å; I521-N523 VanDerWaalsContact C-N 3.25Å; I521-N523 PolarHBondContact O-N 3.49Å
524E88.3Confident90.3Very high121 Ų12167.2 Ų67.257%0.56533%0.326SS*.Hα-helixtrans-76.6-23.9173.2-70169-168.200112.2R520 I521R520-E524 WeakPolarHBondContact CG-OE1 3.3Å; R520-E524 IonicContact CZ-OE1 2.88Å; R520-E524 IonicContact NH1-OE1 3.18Å; R520-E524 PolarHBondContact NH1-OE1 2.92Å; R520-E524 IonicContact NH1-OE2 3.87Å; R520-E524 WeakPolarHBondContact O-CG 3.29Å; R520-E524 PolarHBondContact O-N 2.86Å; I521-E524 PolarHBondContact O-N 2.95Å
525L73.7Confident89.6Confident102 Ų10272.8 Ų72.853%0.53435%0.353SS..  trans-85.2-15.3175.5-69.3172.4000114P418 I521P418-L525 HydrophobicContact CB-CD1 4.37Å; I521-L525 HydrophobicContact CG2-CD1 3.84Å; I521-L525 HydrophobicContact CG2-CG 4.29Å; I521-L525 WeakPolarHBondContact O-CG 3.16Å; I521-L525 PolarHBondContact O-N 2.83Å
526M63.8Low89Confident150 Ų15077.8 Ų77.874%0.73938%0.377SS*.  trans-90.50175.5-78-171.8-107.300111K421 Q522K421-M526 PolarHBondContact NZ-SD 3.23Å; Q522-M526 HydrophobicContact CB-CE 4.33Å; Q522-M526 VanDerWaalsContact O-CE 3.25Å; Q522-M526 WeakPolarHBondContact O-CE 3.31Å; Q522-M526 WeakPolarHBondContact O-CG 3.42Å; Q522-M526 PolarHBondContact O-N 3.37Å

Retrieved 526 of 526 residues in 340.4 ms (Link to these results)

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