A0A077ZFF2_TRITR Loading...

Glyco hydro 8 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFF2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 358 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
1M45.1Very low45.2Very low235 Ų235140.8 Ų140.8100%1.15881%0.805SS**  083.70-150.2172.4-170.600108
2L45.6Very low45.9Very low179 Ų179134.8 Ų134.894%0.93779%0.785SS**  trans-159115.6152.5-128.9108.1000104.5
3L41.9Very low47.2Very low142 Ų142128.3 Ų128.374%0.74375%0.751SS**  trans-86.3147.2-174-97.486.1000111.1
4L44.3Very low49.9Very low142 Ų142125.6 Ų125.674%0.74374%0.737SS**  trans39.6125.8141.3-76.7111.9000120.8
5A45.7Very low53Low85 Ų85117.9 Ų117.970%0.70269%0.69SS**  -14689.1120.600000108.9F7A5-F7 HydrophobicContact CB-CE2 4.33Å; A5-F7 PolarHBondContact O-N 3.13Å
6A47.2Very low55.7Low86 Ų86115.3 Ų115.371%0.71168%0.678SS**  trans-82.9103.4163.100000106.9S8A6-S8 PolarHBondContact O-N 3.42Å; A6-S8 VanDerWaalsContact O-N 3.13Å
7F46.2Very low58.1Low186 Ų186109.4 Ų109.482%0.81665%0.645SS**  trans-66.3108.4167.6-76.9-89.5000107.8A5 V9A5-F7 HydrophobicContact CB-CE2 4.33Å; A5-F7 PolarHBondContact O-N 3.13Å; F7-V9 VanDerWaalsContact C-N 3.31Å; F7-V9 PolarHBondContact O-N 2.95Å
8S43.2Very low60.3Low103 Ų103103.3 Ų103.372%0.7261%0.609SS**  trans-63.896163.538.80000108A6 Q10A6-S8 PolarHBondContact O-N 3.42Å; A6-S8 VanDerWaalsContact O-N 3.13Å; S8-Q10 VanDerWaalsContact C-N 3.33Å; S8-Q10 PolarHBondContact O-N 3.03Å
9V46.9Very low62.3Low132 Ų132101.8 Ų101.880%0.860%0.596SS**  trans-69.396.7166.6-173.80000105.8F7 A11F7-V9 VanDerWaalsContact C-N 3.31Å; F7-V9 PolarHBondContact O-N 2.95Å; V9-A11 PolarHBondContact O-N 2.98Å
10Q43.5Very low64.1Low172 Ų172100.5 Ų100.580%0.80458%0.583SS**  trans-58.5107.8168.7-108.6138.3-49.400107.5S8 A12S8-Q10 VanDerWaalsContact C-N 3.33Å; S8-Q10 PolarHBondContact O-N 3.03Å; Q10-A12 PolarHBondContact O-N 3.16Å; Q10-A12 VanDerWaalsContact O-N 3.16Å
11A47.7Very low65.8Low87 Ų8795.7 Ų95.772%0.71956%0.556SS**  trans-62.7116.917600000107.9V9 C13V9-A11 PolarHBondContact O-N 2.98Å; A11-C13 PolarHBondContact O-N 2.89Å
12A53.7Low68.3Low68 Ų6886.7 Ų86.756%0.56251%0.51SS*.  trans-52.5133.5167.900000108.4Q10 T14Q10-A12 PolarHBondContact O-N 3.16Å; Q10-A12 VanDerWaalsContact O-N 3.16Å; A12-T14 PolarHBondContact O-N 3.22Å
13C61.9Low70.8Confident51 Ų5185.9 Ų85.935%0.34550%0.499SS..  trans-59.2115-178.7-44.40000108A11 C354A11-C13 PolarHBondContact O-N 2.89Å; C13-C354 HydrophobicContact CB-CB 4.37Å; C13-C354 WeakPolarHBondContact CB-SG 3.3Å; C13-C354 WeakPolarHBondContact SG-CA 3.43Å; C13-C354 WeakPolarHBondContact SG-CB 3.44Å; C13-C354 PolarHBondContact SG-N 2.9Å; C13-C354 VanDerWaalsContact SG-N 3.41Å; C13-C354 CovalentContact SG-SG 2.04Å; C13-C354 PolarHBondContact SG-SG 2.74Å
14T85.6Confident73.5Confident91 Ų9181.7 Ų81.756%0.55848%0.477SS*.  trans-65.2161.7177.2570000110A12 P16A12-T14 PolarHBondContact O-N 3.22Å; T14-P16 VanDerWaalsContact O-CD 3.29Å; T14-P16 WeakPolarHBondContact O-CD 3.21Å
15W95.7Very high76.1Confident10 Ų1075 Ų754%0.03844%0.442CS..  trans-9799.1167.9-179.69.5000108.4A17 W18 E19 F53 A56 A57 L328 R337 F338W15-A17 VanDerWaalsContact C-N 3.32Å; W15-A17 PolarHBondContact O-N 3.36Å; W15-W18 HydrophobicContact CB-CB 4Å; W15-W18 HydrophobicContact CD2-CB 3.73Å; W15-W18 HydrophobicContact CE3-CB 3.83Å; W15-W18 HydrophobicContact CG-CB 3.83Å; W15-W18 WeakPolarHBondContact O-CB 3.2Å; W15-W18 PolarHBondContact O-N 2.04Å; W15-E19 PolarHBondContact O-N 3.25Å; W15-F53 AromaticContact CH2-CD1 3.87Å; W15-F53 HydrophobicContact CH2-CD1 3.87Å; W15-F53 HydrophobicContact CZ3-CB 4.29Å; W15-F53 HydrophobicContact CZ3-CD1 4.17Å; W15-A56 HydrophobicContact CZ3-CB 3.99Å; W15-A57 HydrophobicContact CE3-CB 4.16Å; W15-L328 HydrophobicContact CH2-CB 4.26Å; W15-L328 HydrophobicContact CH2-CD2 4.14Å; W15-L328 WeakPolarHBondContact CH2-O 3.14Å; W15-L328 HydrophobicContact CZ2-CB 4.17Å; W15-L328 HydrophobicContact CZ2-CD2 3.6Å; W15-L328 VanDerWaalsContact CZ2-O 3.3Å; W15-L328 WeakPolarHBondContact CZ2-O 3.4Å; W15-R337 HydrophobicContact CD2-CB 4.26Å; W15-R337 HydrophobicContact CD2-CG 3.99Å; W15-R337 HydrophobicContact CE3-CB 4.35Å; W15-R337 HydrophobicContact CG-CG 4.21Å; W15-R337 HydrophobicContact CH2-CB 4.46Å; W15-R337 HydrophobicContact CZ2-CB 4.34Å; W15-R337 HydrophobicContact CZ2-CG 4.19Å; W15-R337 HydrophobicContact CZ3-CB 4.46Å; W15-F338 HydrophobicContact CH2-CD1 4.41Å; W15-F338 HydrophobicContact CH2-CE1 4.1Å
16P96.2Very high78.6Confident76 Ų7672.2 Ų72.249%0.49442%0.415SS..Hα-helixtrans-63.1-36-166.9-25.436.7000113.8T14 W18 E19 Q20T14-P16 VanDerWaalsContact O-CD 3.29Å; T14-P16 WeakPolarHBondContact O-CD 3.21Å; P16-W18 VanDerWaalsContact C-N 3.3Å; P16-W18 PolarHBondContact O-N 3.41Å; P16-E19 PolarHBondContact O-N 3.38Å; P16-Q20 WeakPolarHBondContact O-CB 3.29Å; P16-Q20 PolarHBondContact O-N 3.03Å
17A97.6Very high81.1Confident14 Ų1469.2 Ų69.212%0.11639%0.389CS..Hα-helixtrans-63.9-35.9176.300000112.3W15 F21 F315 Y324 L328W15-A17 VanDerWaalsContact C-N 3.32Å; W15-A17 PolarHBondContact O-N 3.36Å; A17-F21 WeakPolarHBondContact O-CB 3.37Å; A17-F21 PolarHBondContact O-N 3.47Å; A17-F315 HydrophobicContact CB-CZ 3.98Å; A17-Y324 WeakPolarHBondContact O-CE1 3.21Å; A17-Y324 PolarHBondContact O-OH 2.95Å; A17-L328 HydrophobicContact CB-CD2 3.8Å
18W98.1Very high83.6Confident0 Ų068.7 Ų68.70%039%0.389CS..Hα-helixtrans-68.1-44.7173.2163.4-114.8000111.6W15 P16 Q20 F21 K22 I26 F53 A54 A57 D59 A62 I66W15-W18 HydrophobicContact CB-CB 4Å; W15-W18 HydrophobicContact CD2-CB 3.73Å; W15-W18 HydrophobicContact CE3-CB 3.83Å; W15-W18 HydrophobicContact CG-CB 3.83Å; W15-W18 WeakPolarHBondContact O-CB 3.2Å; W15-W18 PolarHBondContact O-N 2.04Å; P16-W18 VanDerWaalsContact C-N 3.3Å; P16-W18 PolarHBondContact O-N 3.41Å; W18-Q20 VanDerWaalsContact C-N 3.29Å; W18-Q20 PolarHBondContact O-N 3.5Å; W18-F21 HydrophobicContact CE3-CB 4.42Å; W18-F21 AromaticContact CE3-CD1 3.9Å; W18-F21 HydrophobicContact CE3-CD1 3.9Å; W18-F21 AromaticContact CZ3-CD1 3.61Å; W18-F21 HydrophobicContact CZ3-CD1 3.61Å; W18-F21 HydrophobicContact CZ3-CE1 4.11Å; W18-F21 WeakPolarHBondContact O-CB 3.39Å; W18-F21 PolarHBondContact O-N 3.33Å; W18-F21 VanDerWaalsContact O-N 3.14Å; W18-K22 HydrophobicContact CD2-CD 4.37Å; W18-K22 HydrophobicContact CD2-CG 3.99Å; W18-K22 HydrophobicContact CE3-CG 4.17Å; W18-K22 HydrophobicContact CH2-CD 4.19Å; W18-K22 HydrophobicContact CH2-CG 3.67Å; W18-K22 HydrophobicContact CZ2-CD 3.46Å; W18-K22 VanDerWaalsContact CZ2-CD 3.46Å; W18-K22 HydrophobicContact CZ2-CG 3.44Å; W18-K22 VanDerWaalsContact CZ2-CG 3.44Å; W18-K22 HydrophobicContact CZ3-CG 4.03Å; W18-K22 PolarHBondContact O-N 3.01Å; W18-I26 HydrophobicContact CH2-CD1 3.57Å; W18-I26 HydrophobicContact CZ3-CD1 3.82Å; W18-F53 HydrophobicContact CD2-CB 4.21Å; W18-F53 HydrophobicContact CE3-CB 3.57Å; W18-F53 HydrophobicContact CE3-CG 4.44Å; W18-F53 HydrophobicContact CH2-CB 4.4Å; W18-F53 HydrophobicContact CZ3-CB 3.69Å; W18-F53 HydrophobicContact CZ3-CD2 4.38Å; W18-A54 HydrophobicContact CH2-CB 4.08Å; W18-A54 HydrophobicContact CZ2-CB 3.71Å; W18-A57 VanDerWaalsContact CD1-CB 3.43Å; W18-A57 HydrophobicContact CG-CB 4.04Å; W18-D59 PolarHBondContact NE1-OD2 3.11Å; W18-A62 HydrophobicContact CZ2-CB 3.76Å; W18-I66 HydrophobicContact CH2-CD1 4.11Å
19E98.1Very high86.2Confident75 Ų7569.7 Ų69.735%0.3538%0.382SS..Hα-helixtrans-58.7-42.3176.8-67.2-55.313200112W15 P16 K22 K23W15-E19 PolarHBondContact O-N 3.25Å; P16-E19 PolarHBondContact O-N 3.38Å; E19-K22 VanDerWaalsContact CD-CE 3.42Å; E19-K22 PolarHBondContact O-N 3.13Å; E19-K22 VanDerWaalsContact OE1-CE 3.29Å; E19-K22 WeakPolarHBondContact OE1-CE 3.39Å; E19-K22 IonicContact OE1-NZ 3.92Å; E19-K22 PolarHBondContact OE1-NZ 3.39Å; E19-K22 WeakPolarHBondContact OE2-CE 3.29Å; E19-K22 IonicContact OE2-NZ 2.7Å; E19-K22 PolarHBondContact OE2-NZ 2.95Å; E19-K23 PolarHBondContact O-N 2.79Å
20Q98.3Very high88.7Confident75 Ų7563.4 Ų63.435%0.3534%0.344SS..Hα-helixtrans-69.7-38175.9-173.961.345.400111.9P16 W18 K22 K23 D24 Y324P16-Q20 WeakPolarHBondContact O-CB 3.29Å; P16-Q20 PolarHBondContact O-N 3.03Å; W18-Q20 VanDerWaalsContact C-N 3.29Å; W18-Q20 PolarHBondContact O-N 3.5Å; Q20-K22 PolarHBondContact O-N 3.48Å; Q20-K23 PolarHBondContact O-N 3.35Å; Q20-D24 PolarHBondContact NE2-OD1 3.21Å; Q20-D24 PolarHBondContact NE2-OD2 3.08Å; Q20-D24 PolarHBondContact O-N 2.93Å; Q20-Y324 WeakPolarHBondContact CB-OH 3.42Å
21F98.7Very high91.3Very high1 Ų156.6 Ų56.60%0.00431%0.311CS..Hα-helixtrans-60.3-44.7173.6-179-95.3000112A17 W18 K23 D24 Y25 I26 V32 Y321 Y324 V325 L328A17-F21 WeakPolarHBondContact O-CB 3.37Å; A17-F21 PolarHBondContact O-N 3.47Å; W18-F21 HydrophobicContact CE3-CB 4.42Å; W18-F21 AromaticContact CE3-CD1 3.9Å; W18-F21 HydrophobicContact CE3-CD1 3.9Å; W18-F21 AromaticContact CZ3-CD1 3.61Å; W18-F21 HydrophobicContact CZ3-CD1 3.61Å; W18-F21 HydrophobicContact CZ3-CE1 4.11Å; W18-F21 WeakPolarHBondContact O-CB 3.39Å; W18-F21 PolarHBondContact O-N 3.33Å; W18-F21 VanDerWaalsContact O-N 3.14Å; F21-K23 VanDerWaalsContact C-N 3.3Å; F21-K23 PolarHBondContact O-N 3.3Å; F21-D24 PolarHBondContact O-N 3.11Å; F21-Y25 AromaticContact CD2-CD2 3.42Å; F21-Y25 HydrophobicContact CD2-CD2 3.42Å; F21-Y25 VanDerWaalsContact CD2-CD2 3.42Å; F21-Y25 HydrophobicContact CD2-CE2 4.13Å; F21-Y25 AromaticContact CD2-CG 3.99Å; F21-Y25 HydrophobicContact CD2-CG 3.99Å; F21-Y25 AromaticContact CE2-CD2 3.74Å; F21-Y25 HydrophobicContact CE2-CD2 3.74Å; F21-Y25 HydrophobicContact CE2-CE2 4.49Å; F21-Y25 AromaticContact CE2-CG 3.84Å; F21-Y25 HydrophobicContact CE2-CG 3.84Å; F21-Y25 HydrophobicContact CG-CD2 4.12Å; F21-Y25 HydrophobicContact CZ-CG 4.41Å; F21-Y25 WeakPolarHBondContact O-CB 3.32Å; F21-Y25 PolarHBondContact O-N 3.26Å; F21-I26 HydrophobicContact CD1-CD1 4.04Å; F21-I26 HydrophobicContact CD1-CG1 4.13Å; F21-I26 HydrophobicContact CE1-CD1 3.89Å; F21-I26 HydrophobicContact CE1-CG1 3.95Å; F21-V32 HydrophobicContact CE1-CG1 4.26Å; F21-V32 HydrophobicContact CZ-CG1 3.87Å; F21-Y321 HydrophobicContact CE2-CD2 4.22Å; F21-Y321 HydrophobicContact CE2-CE2 4.34Å; F21-Y321 HydrophobicContact CZ-CD2 4.35Å; F21-Y321 HydrophobicContact CZ-CE2 4.09Å; F21-Y324 HydrophobicContact CB-CD1 4.12Å; F21-Y324 HydrophobicContact CB-CE1 3.67Å; F21-Y324 AromaticContact CD2-CD1 3.5Å; F21-Y324 HydrophobicContact CD2-CD1 3.5Å; F21-Y324 AromaticContact CD2-CE1 3.98Å; F21-Y324 HydrophobicContact CD2-CE1 3.98Å; F21-Y324 AromaticContact CD2-CG 3.95Å; F21-Y324 HydrophobicContact CD2-CG 3.95Å; F21-Y324 HydrophobicContact CE2-CD1 4.39Å; F21-Y324 HydrophobicContact CG-CD1 4.25Å; F21-Y324 HydrophobicContact CG-CE1 4.3Å; F21-V325 HydrophobicContact CE2-CG2 3.97Å; F21-V325 HydrophobicContact CZ-CG2 4.13Å; F21-L328 HydrophobicContact CB-CD1 3.85Å; F21-L328 HydrophobicContact CD1-CD1 4.09Å; F21-L328 HydrophobicContact CD2-CD1 3.73Å; F21-L328 HydrophobicContact CE2-CD1 4.26Å; F21-L328 HydrophobicContact CG-CD1 3.62Å
22K98.3Very high93.7Very high45 Ų4552.5 Ų52.520%0.19628%0.277CS..Hα-helixtrans-54.5-48.5174.2-77.3-170.5-68.6-178.50111.2W18 E19 Q20 D24 I26 D59 A62W18-K22 HydrophobicContact CD2-CD 4.37Å; W18-K22 HydrophobicContact CD2-CG 3.99Å; W18-K22 HydrophobicContact CE3-CG 4.17Å; W18-K22 HydrophobicContact CH2-CD 4.19Å; W18-K22 HydrophobicContact CH2-CG 3.67Å; W18-K22 HydrophobicContact CZ2-CD 3.46Å; W18-K22 VanDerWaalsContact CZ2-CD 3.46Å; W18-K22 HydrophobicContact CZ2-CG 3.44Å; W18-K22 VanDerWaalsContact CZ2-CG 3.44Å; W18-K22 HydrophobicContact CZ3-CG 4.03Å; W18-K22 PolarHBondContact O-N 3.01Å; E19-K22 VanDerWaalsContact CD-CE 3.42Å; E19-K22 PolarHBondContact O-N 3.13Å; E19-K22 VanDerWaalsContact OE1-CE 3.29Å; E19-K22 WeakPolarHBondContact OE1-CE 3.39Å; E19-K22 IonicContact OE1-NZ 3.92Å; E19-K22 PolarHBondContact OE1-NZ 3.39Å; E19-K22 WeakPolarHBondContact OE2-CE 3.29Å; E19-K22 IonicContact OE2-NZ 2.7Å; E19-K22 PolarHBondContact OE2-NZ 2.95Å; Q20-K22 PolarHBondContact O-N 3.48Å; K22-D24 VanDerWaalsContact C-N 3.35Å; K22-D24 PolarHBondContact O-N 2.84Å; K22-I26 HydrophobicContact CG-CD1 4.09Å; K22-I26 WeakPolarHBondContact O-CA 3.36Å; K22-I26 WeakPolarHBondContact O-CB 3.26Å; K22-I26 PolarHBondContact O-N 3.01Å; K22-I26 VanDerWaalsContact O-O 3.09Å; K22-D59 WeakPolarHBondContact CD-OD2 3.03Å; K22-D59 WeakPolarHBondContact CE-OD2 3.47Å; K22-D59 IonicContact NZ-OD2 3.02Å; K22-D59 PolarHBondContact NZ-OD2 3.38Å; K22-A62 HydrophobicContact CD-CB 4.01Å
23K98.3Very high95.9Very high162 Ų16251.1 Ų51.170%0.70426%0.26SS*.Hα-helixtrans-61.8-40.5-178.1-177.2178.5174.3-175.20113E19 Q20 F21E19-K23 PolarHBondContact O-N 2.79Å; Q20-K23 PolarHBondContact O-N 3.35Å; F21-K23 VanDerWaalsContact C-N 3.3Å; F21-K23 PolarHBondContact O-N 3.3Å
24D98.4Very high97.6Very high54 Ų5450 Ų5029%0.28925%0.251SS..Hα-helixtrans-89.6-31.6-172.7-67.4-16.6000113.3Q20 F21 K22Q20-D24 PolarHBondContact NE2-OD1 3.21Å; Q20-D24 PolarHBondContact NE2-OD2 3.08Å; Q20-D24 PolarHBondContact O-N 2.93Å; F21-D24 PolarHBondContact O-N 3.11Å; K22-D24 VanDerWaalsContact C-N 3.35Å; K22-D24 PolarHBondContact O-N 2.84Å
25Y98.8Very high98.2Very high2 Ų247.2 Ų47.21%0.00823%0.234CC..Hα-helixtrans-123.1-11.2-167.1-61.9-79.3000114.5F21 V32 I33 P35 G317 S318 D319 A320 Y321 Y324F21-Y25 AromaticContact CD2-CD2 3.42Å; F21-Y25 HydrophobicContact CD2-CD2 3.42Å; F21-Y25 VanDerWaalsContact CD2-CD2 3.42Å; F21-Y25 HydrophobicContact CD2-CE2 4.13Å; F21-Y25 AromaticContact CD2-CG 3.99Å; F21-Y25 HydrophobicContact CD2-CG 3.99Å; F21-Y25 AromaticContact CE2-CD2 3.74Å; F21-Y25 HydrophobicContact CE2-CD2 3.74Å; F21-Y25 HydrophobicContact CE2-CE2 4.49Å; F21-Y25 AromaticContact CE2-CG 3.84Å; F21-Y25 HydrophobicContact CE2-CG 3.84Å; F21-Y25 HydrophobicContact CG-CD2 4.12Å; F21-Y25 HydrophobicContact CZ-CG 4.41Å; F21-Y25 WeakPolarHBondContact O-CB 3.32Å; F21-Y25 PolarHBondContact O-N 3.26Å; Y25-V32 CarbonylContact O-C 3.56Å; Y25-V32 WeakPolarHBondContact O-CA 3.29Å; Y25-I33 WeakPolarHBondContact CD1-O 3.46Å; Y25-I33 PolarHBondContact O-N 2.95Å; Y25-P35 HydrophobicContact CD1-CG 4.32Å; Y25-P35 HydrophobicContact CE1-CG 3.88Å; Y25-G317 PolarHBondContact OH-O 3.17Å; Y25-S318 WeakPolarHBondContact OH-CA 3.28Å; Y25-D319 PolarHBondContact OH-N 3.18Å; Y25-A320 PolarHBondContact OH-N 2.83Å; Y25-Y321 HydrophobicContact CD1-CD2 4.1Å; Y25-Y321 PolarHBondContact OH-N 3.35Å; Y25-Y324 HydrophobicContact CD2-CD2 4.48Å; Y25-Y324 AromaticContact CE2-CD2 3.56Å; Y25-Y324 HydrophobicContact CE2-CD2 3.56Å; Y25-Y324 HydrophobicContact CE2-CE2 4.14Å; Y25-Y324 AromaticContact CE2-CG 3.91Å; Y25-Y324 HydrophobicContact CE2-CG 3.91Å
26I98.8Very high98.2Very high27 Ų2751 Ų5114%0.13826%0.263CS..BIsolated β-bridgetrans-113.4124.2-178.9-50.4-166000110.6W18 F21 K22 R31 V32 I66W18-I26 HydrophobicContact CH2-CD1 3.57Å; W18-I26 HydrophobicContact CZ3-CD1 3.82Å; F21-I26 HydrophobicContact CD1-CD1 4.04Å; F21-I26 HydrophobicContact CD1-CG1 4.13Å; F21-I26 HydrophobicContact CE1-CD1 3.89Å; F21-I26 HydrophobicContact CE1-CG1 3.95Å; K22-I26 HydrophobicContact CG-CD1 4.09Å; K22-I26 WeakPolarHBondContact O-CA 3.36Å; K22-I26 WeakPolarHBondContact O-CB 3.26Å; K22-I26 PolarHBondContact O-N 3.01Å; K22-I26 VanDerWaalsContact O-O 3.09Å; I26-R31 WeakPolarHBondContact CA-O 3.26Å; I26-V32 HydrophobicContact CD1-CG2 4.05Å; I26-V32 HydrophobicContact CG1-CG2 4.09Å; I26-I66 HydrophobicContact CD1-CD1 3.82Å; I26-I66 HydrophobicContact CG2-CG1 4.44Å
27S98.6Very high98.2Very high23 Ų2349.1 Ų49.116%0.16125%0.248CC..  trans-71.4164.5176.885.20000112E29 G30 R31S27-E29 WeakPolarHBondContact CB-OE2 3.29Å; S27-E29 PolarHBondContact O-N 3.28Å; S27-E29 PolarHBondContact OG-N 2.83Å; S27-E29 PolarHBondContact OG-OE2 3.4Å; S27-G30 PolarHBondContact O-N 2.87Å; S27-G30 PolarHBondContact OG-N 3.44Å; S27-R31 PolarHBondContact N-O 3.08Å; S27-R31 PolarHBondContact OG-N 2.52Å
28Q98.4Very high98.2Very high175 Ų17553 Ų5382%0.81828%0.28SS*.THydrogen-bonded Turntrans-59.8-29.4174.9-68.2-64.9-34.400112.1G30 N65Q28-G30 VanDerWaalsContact C-N 3.32Å; Q28-N65 PolarHBondContact O-ND2 2.89Å
29E98.5Very high98.1Very high123 Ų12357.7 Ų57.758%0.57530%0.298SS*.THydrogen-bonded Turntrans-82.9-1.7176.8-47.986.1166.900113.9S27 W69S27-E29 WeakPolarHBondContact CB-OE2 3.29Å; S27-E29 PolarHBondContact O-N 3.28Å; S27-E29 PolarHBondContact OG-N 2.83Å; S27-E29 PolarHBondContact OG-OE2 3.4Å; E29-W69 VanDerWaalsContact O-CB 3.32Å; E29-W69 WeakPolarHBondContact O-CB 3.39Å; E29-W69 VanDerWaalsContact O-CD1 3.24Å
30G98.7Very high98.1Very high0 Ų058 Ų580%030%0.298CS..SBendtrans94.313.9173.500000116.3S27 Q28 Q47 N65 I66S27-G30 PolarHBondContact O-N 2.87Å; S27-G30 PolarHBondContact OG-N 3.44Å; Q28-G30 VanDerWaalsContact C-N 3.32Å; G30-Q47 PolarHBondContact O-NE2 2.9Å; G30-Q47 VanDerWaalsContact O-NE2 3.16Å; G30-N65 PolarHBondContact N-ND2 3.14Å; G30-I66 WeakPolarHBondContact O-CA 3.34Å
31R98.7Very high98.2Very high29 Ų2955.3 Ų55.311%0.10929%0.286CS..  trans-91.7134.4176.397.7-179.2-154.1-161.75.7111.5I26 S27 I33 K40 T42 W69 W96I26-R31 WeakPolarHBondContact CA-O 3.26Å; S27-R31 PolarHBondContact N-O 3.08Å; S27-R31 PolarHBondContact OG-N 2.52Å; R31-I33 HydrophobicContact CG-CD1 4.12Å; R31-I33 HydrophobicContact CG-CG1 3.7Å; R31-K40 PolarHBondContact NH2-O 3.01Å; R31-T42 HydrophobicContact CB-CG2 4.43Å; R31-T42 WeakPolarHBondContact CG-OG1 3.12Å; R31-W69 HydrophobicContact CB-CD2 3.43Å; R31-W69 VanDerWaalsContact CB-CD2 3.43Å; R31-W69 HydrophobicContact CB-CE3 3.91Å; R31-W69 HydrophobicContact CB-CG 3.87Å; R31-W69 HydrophobicContact CB-CH2 4.07Å; R31-W69 HydrophobicContact CB-CZ2 3.61Å; R31-W69 HydrophobicContact CB-CZ3 4.21Å; R31-W69 HydrophobicContact CG-CZ2 4.3Å; R31-W96 VanDerWaalsContact NH1-CZ3 3.34Å
32V98.8Very high98.2Very high2 Ų255.3 Ų55.31%0.01229%0.286CS..BIsolated β-bridgetrans-82.9124.5170.9-176.90000108.6F21 Y25 I26 T42 G46 Y321F21-V32 HydrophobicContact CE1-CG1 4.26Å; F21-V32 HydrophobicContact CZ-CG1 3.87Å; Y25-V32 CarbonylContact O-C 3.56Å; Y25-V32 WeakPolarHBondContact O-CA 3.29Å; I26-V32 HydrophobicContact CD1-CG2 4.05Å; I26-V32 HydrophobicContact CG1-CG2 4.09Å; V32-T42 WeakPolarHBondContact O-CA 3.37Å; V32-T42 VanDerWaalsContact O-CB 3.25Å; V32-T42 WeakPolarHBondContact O-CB 3.39Å; V32-T42 VanDerWaalsContact O-CG2 3.29Å; V32-T42 WeakPolarHBondContact O-CG2 3.45Å; V32-T42 PolarHBondContact O-OG1 3.39Å; V32-G46 WeakPolarHBondContact CG2-O 3.49Å; V32-Y321 HydrophobicContact CG1-CD2 4.29Å; V32-Y321 HydrophobicContact CG1-CE2 3.54Å
33I98.8Very high98.2Very high38 Ų3854.1 Ų54.120%0.19528%0.282CS..  trans-110.8127.3-171.7-51.9-173.3000109Y25 R31 P35 K40Y25-I33 WeakPolarHBondContact CD1-O 3.46Å; Y25-I33 PolarHBondContact O-N 2.95Å; R31-I33 HydrophobicContact CG-CD1 4.12Å; R31-I33 HydrophobicContact CG-CG1 3.7Å; I33-P35 VanDerWaalsContact O-CD 3.23Å; I33-P35 WeakPolarHBondContact O-CD 3.27Å; I33-K40 HydrophobicContact CG2-CB 3.94Å
34D98.5Very high98.2Very high28 Ų2846.5 Ų46.515%0.1525%0.249CC..  trans-87107.6158.7-175.4-8.9000109S36 I41 Y321D34-S36 VanDerWaalsContact CG-OG 3.23Å; D34-S36 PolarHBondContact O-N 3.05Å; D34-S36 VanDerWaalsContact OD1-CB 3.23Å; D34-S36 WeakPolarHBondContact OD1-CB 3.34Å; D34-S36 PolarHBondContact OD1-N 3Å; D34-S36 PolarHBondContact OD1-OG 3.35Å; D34-S36 PolarHBondContact OD2-OG 3.26Å; D34-I41 HydrophobicContact CB-CG1 3.94Å; D34-I41 PolarHBondContact N-O 2.84Å; D34-Y321 HydrophobicContact CB-CD1 3.83Å; D34-Y321 HydrophobicContact CB-CE1 4.49Å; D34-Y321 HydrophobicContact CB-CG 4.04Å
35P97.5Very high98.2Very high33 Ų3345.5 Ų45.521%0.21424%0.243CC..THydrogen-bonded Turntrans-76.2-11.8-179.833.1-36000112.9Y25 I33 D37 K40 S318Y25-P35 HydrophobicContact CD1-CG 4.32Å; Y25-P35 HydrophobicContact CE1-CG 3.88Å; I33-P35 VanDerWaalsContact O-CD 3.23Å; I33-P35 WeakPolarHBondContact O-CD 3.27Å; P35-D37 VanDerWaalsContact C-N 3.34Å; P35-K40 HydrophobicContact CB-CD 4.48Å; P35-K40 PolarHBondContact O-NZ 2.69Å; P35-S318 WeakPolarHBondContact CG-O 3.29Å
36S95.8Very high98.2Very high90 Ų9045.4 Ų45.463%0.62924%0.243SC*.THydrogen-bonded Turntrans-72.6-28.4-179.275.20000112.5D34D34-S36 VanDerWaalsContact CG-OG 3.23Å; D34-S36 PolarHBondContact O-N 3.05Å; D34-S36 VanDerWaalsContact OD1-CB 3.23Å; D34-S36 WeakPolarHBondContact OD1-CB 3.34Å; D34-S36 PolarHBondContact OD1-N 3Å; D34-S36 PolarHBondContact OD1-OG 3.35Å; D34-S36 PolarHBondContact OD2-OG 3.26Å
37D96.5Very high98.2Very high35 Ų3544.1 Ų44.119%0.18724%0.236CC..SBendtrans-79.8131.6171.4-165.9-51.6000110.2P35 R39 K40 I41P35-D37 VanDerWaalsContact C-N 3.34Å; D37-R39 PolarHBondContact O-N 2.82Å; D37-R39 VanDerWaalsContact O-N 3.11Å; D37-R39 VanDerWaalsContact OD1-CB 3.24Å; D37-R39 WeakPolarHBondContact OD1-CB 3.27Å; D37-R39 WeakPolarHBondContact OD1-CG 3.3Å; D37-R39 IonicContact OD1-CZ 3.23Å; D37-R39 PolarHBondContact OD1-N 2.81Å; D37-R39 IonicContact OD1-NE 2.66Å; D37-R39 PolarHBondContact OD1-NE 2.91Å; D37-R39 IonicContact OD1-NH2 2.69Å; D37-R39 IonicContact OD2-CZ 3.54Å; D37-R39 IonicContact OD2-NE 3.68Å; D37-R39 PolarHBondContact OD2-NE 3.22Å; D37-R39 IonicContact OD2-NH2 3.27Å; D37-R39 PolarHBondContact OD2-NH2 3.46Å; D37-K40 WeakPolarHBondContact O-CA 3.3Å; D37-K40 PolarHBondContact O-N 3.3Å; D37-I41 HydrophobicContact CB-CD1 4.16Å; D37-I41 HydrophobicContact CB-CG1 3.92Å; D37-I41 HydrophobicContact CB-CG2 4.11Å
38A96.9Very high98.2Very high95 Ų9543 Ų4379%0.78523%0.229SC*.THydrogen-bonded Turntrans-57.9-26.5177.300000113.1K40A38-K40 PolarHBondContact O-N 2.79Å
39R98Very high98.3Very high100 Ų10034.9 Ų34.938%0.37719%0.19SC..THydrogen-bonded Turntrans-80.1-4.3176.4-55.2169.7-66.5171.42.5112.9D37 I41 K90 W96 L99D37-R39 PolarHBondContact O-N 2.82Å; D37-R39 VanDerWaalsContact O-N 3.11Å; D37-R39 VanDerWaalsContact OD1-CB 3.24Å; D37-R39 WeakPolarHBondContact OD1-CB 3.27Å; D37-R39 WeakPolarHBondContact OD1-CG 3.3Å; D37-R39 IonicContact OD1-CZ 3.23Å; D37-R39 PolarHBondContact OD1-N 2.81Å; D37-R39 IonicContact OD1-NE 2.66Å; D37-R39 PolarHBondContact OD1-NE 2.91Å; D37-R39 IonicContact OD1-NH2 2.69Å; D37-R39 IonicContact OD2-CZ 3.54Å; D37-R39 IonicContact OD2-NE 3.68Å; D37-R39 PolarHBondContact OD2-NE 3.22Å; D37-R39 IonicContact OD2-NH2 3.27Å; D37-R39 PolarHBondContact OD2-NH2 3.46Å; R39-I41 HydrophobicContact CB-CG2 3.79Å; R39-I41 PolarHBondContact O-N 2.97Å; R39-K90 WeakPolarHBondContact CG-O 3.36Å; R39-K90 PolarHBondContact O-N 3.06Å; R39-W96 WeakPolarHBondContact O-CZ3 3.31Å; R39-L99 HydrophobicContact CB-CD1 4.5Å
40K97.9Very high98.3Very high82 Ų8229 Ų2936%0.35716%0.163SC..  trans49.954.6-178-55-63.7177.6-175.20111.4R31 I33 P35 D37 A38 W96R31-K40 PolarHBondContact NH2-O 3.01Å; I33-K40 HydrophobicContact CG2-CB 3.94Å; P35-K40 HydrophobicContact CB-CD 4.48Å; P35-K40 PolarHBondContact O-NZ 2.69Å; D37-K40 WeakPolarHBondContact O-CA 3.3Å; D37-K40 PolarHBondContact O-N 3.3Å; A38-K40 PolarHBondContact O-N 2.79Å; K40-W96 HydrophobicContact CB-CH2 3.9Å; K40-W96 HydrophobicContact CB-CZ3 4.13Å; K40-W96 HydrophobicContact CG-CH2 4.39Å
41I98.7Very high98.3Very high17 Ų1729 Ų299%0.08716%0.163CC..  trans-65.1154.1-167.163174.5000111.8D34 D37 R39 T43 L87 W88 L99D34-I41 HydrophobicContact CB-CG1 3.94Å; D34-I41 PolarHBondContact N-O 2.84Å; D37-I41 HydrophobicContact CB-CD1 4.16Å; D37-I41 HydrophobicContact CB-CG1 3.92Å; D37-I41 HydrophobicContact CB-CG2 4.11Å; R39-I41 HydrophobicContact CB-CG2 3.79Å; R39-I41 PolarHBondContact O-N 2.97Å; I41-T43 HydrophobicContact CD1-CG2 4.16Å; I41-L87 HydrophobicContact CB-CD1 3.82Å; I41-L87 HydrophobicContact CD1-CD1 3.69Å; I41-L87 HydrophobicContact CG1-CD1 4.29Å; I41-L87 HydrophobicContact CG2-CD1 3.93Å; I41-W88 CarbonylContact C-O 3.56Å; I41-W88 VanDerWaalsContact CA-O 3.28Å; I41-W88 WeakPolarHBondContact CA-O 3.4Å; I41-L99 HydrophobicContact CG2-CD1 4.26Å
42T98.9Very high98.3Very high1 Ų127.7 Ų27.71%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-118.3136.7161.8-66.20000107.2R31 V32 Q47 W69 W88R31-T42 HydrophobicContact CB-CG2 4.43Å; R31-T42 WeakPolarHBondContact CG-OG1 3.12Å; V32-T42 WeakPolarHBondContact O-CA 3.37Å; V32-T42 VanDerWaalsContact O-CB 3.25Å; V32-T42 WeakPolarHBondContact O-CB 3.39Å; V32-T42 VanDerWaalsContact O-CG2 3.29Å; V32-T42 WeakPolarHBondContact O-CG2 3.45Å; V32-T42 PolarHBondContact O-OG1 3.39Å; T42-Q47 HydrophobicContact CG2-CG 3.79Å; T42-W69 HydrophobicContact CG2-CE3 4.27Å; T42-W69 HydrophobicContact CG2-CH2 3.65Å; T42-W69 HydrophobicContact CG2-CZ3 3.41Å; T42-W69 VanDerWaalsContact CG2-CZ3 3.41Å; T42-W88 PolarHBondContact N-O 3.06Å; T42-W88 PolarHBondContact O-N 2.86Å
43T98.9Very high98.3Very high21 Ų2127.6 Ų27.613%0.12916%0.157CC..EExtended strand (participates in β ladder)trans-114.8155.1176.762.40000111.4I41 E45 G46 Q47 W86 L87I41-T43 HydrophobicContact CD1-CG2 4.16Å; T43-E45 PolarHBondContact O-N 3.15Å; T43-G46 PolarHBondContact O-N 3.13Å; T43-G46 VanDerWaalsContact O-N 3.13Å; T43-G46 PolarHBondContact OG1-N 3.38Å; T43-Q47 PolarHBondContact O-N 3.35Å; T43-W86 WeakPolarHBondContact CA-O 3.16Å; T43-W86 VanDerWaalsContact CB-O 3.29Å; T43-W86 WeakPolarHBondContact CB-O 3.41Å; T43-W86 HydrophobicContact CG2-CE3 4.36Å; T43-W86 HydrophobicContact CG2-CZ3 4.41Å; T43-L87 HydrophobicContact CG2-CD1 3.98Å
44S98.8Very high98.3Very high1 Ų125.8 Ų25.81%0.00715%0.148CC..Hα-helixtrans-60-33.5171.559.50000111.6Q47 S48 W86S44-Q47 PolarHBondContact O-N 2.87Å; S44-S48 WeakPolarHBondContact O-CB 3.45Å; S44-S48 PolarHBondContact O-N 3.02Å; S44-W86 PolarHBondContact N-O 3.36Å; S44-W86 WeakPolarHBondContact OG-CA 3.45Å
45E98.7Very high98.3Very high33 Ų3324.4 Ų24.415%0.15414%0.141CC..Hα-helixtrans-58.4-49.8170.3-172.6-164.287.300111.7T43 Q47 S48 Y49 R236T43-E45 PolarHBondContact O-N 3.15Å; E45-Q47 PolarHBondContact O-N 3.3Å; E45-S48 PolarHBondContact O-N 2.83Å; E45-S48 PolarHBondContact O-OG 3.39Å; E45-Y49 HydrophobicContact CG-CD2 3.91Å; E45-Y49 HydrophobicContact CG-CE1 4.22Å; E45-Y49 HydrophobicContact CG-CE2 3.31Å; E45-Y49 VanDerWaalsContact CG-CZ 3.47Å; E45-Y49 WeakPolarHBondContact O-CD2 3.41Å; E45-Y49 VanDerWaalsContact O-CG 3.26Å; E45-Y49 PolarHBondContact O-N 2.91Å; E45-R236 IonicContact OE2-CZ 2.86Å; E45-R236 IonicContact OE2-NH1 2.74Å; E45-R236 PolarHBondContact OE2-NH1 3.12Å; E45-R236 IonicContact OE2-NH2 2.77Å
46G98.6Very high98.3Very high1 Ų123 Ų231%0.0113%0.131CC..Hα-helixtrans-63.9-4117900000113.1V32 T43 Y49 G50 Y321V32-G46 WeakPolarHBondContact CG2-O 3.49Å; T43-G46 PolarHBondContact O-N 3.13Å; T43-G46 VanDerWaalsContact O-N 3.13Å; T43-G46 PolarHBondContact OG1-N 3.38Å; G46-Y49 PolarHBondContact O-N 3Å; G46-G50 PolarHBondContact O-N 2.91Å; G46-Y321 WeakPolarHBondContact CA-OH 3.4Å
47Q98.9Very high98.4Very high0 Ų020.1 Ų20.10%011%0.113CC..Hα-helixtrans-61.6-45.2173.9-66.1-56.2101.300111.7G30 T42 T43 S44 E45 Y49 G50 M51 I66 W69 T70 L74 M111G30-Q47 PolarHBondContact O-NE2 2.9Å; G30-Q47 VanDerWaalsContact O-NE2 3.16Å; T42-Q47 HydrophobicContact CG2-CG 3.79Å; T43-Q47 PolarHBondContact O-N 3.35Å; S44-Q47 PolarHBondContact O-N 2.87Å; E45-Q47 PolarHBondContact O-N 3.3Å; Q47-Y49 VanDerWaalsContact C-N 3.35Å; Q47-Y49 PolarHBondContact O-N 3.46Å; Q47-G50 PolarHBondContact O-N 2.88Å; Q47-M51 VanDerWaalsContact O-CG 3.32Å; Q47-M51 WeakPolarHBondContact O-CG 3.3Å; Q47-M51 PolarHBondContact O-N 3.28Å; Q47-I66 HydrophobicContact CB-CG2 4.45Å; Q47-I66 PolarHBondContact NE2-O 3.27Å; Q47-W69 HydrophobicContact CG-CE3 4.3Å; Q47-W69 HydrophobicContact CG-CZ3 4.3Å; Q47-T70 HydrophobicContact CB-CG2 4.36Å; Q47-T70 WeakPolarHBondContact CB-OG1 3.48Å; Q47-T70 WeakPolarHBondContact CG-OG1 3.02Å; Q47-T70 PolarHBondContact NE2-OG1 3.45Å; Q47-L74 HydrophobicContact CG-CD1 3.89Å; Q47-M111 HydrophobicContact CB-CE 4.21Å
48S98.9Very high98.4Very high0 Ų021.9 Ų21.90%012%0.123CC..Hα-helixtrans-65.5-38.1-178.378.30000112.4S44 E45 M51 F52 G107 W110S44-S48 WeakPolarHBondContact O-CB 3.45Å; S44-S48 PolarHBondContact O-N 3.02Å; E45-S48 PolarHBondContact O-N 2.83Å; E45-S48 PolarHBondContact O-OG 3.39Å; S48-M51 PolarHBondContact O-N 2.91Å; S48-F52 PolarHBondContact O-N 2.89Å; S48-G107 WeakPolarHBondContact CB-O 3.43Å; S48-G107 PolarHBondContact OG-O 2.93Å; S48-W110 WeakPolarHBondContact OG-CB 3.23Å
49Y98.8Very high98.5Very high4 Ų418.6 Ų18.62%0.0169%0.092CC..Hα-helixtrans-68.2-41.7173.3-63.6-17.6000112.2E45 G46 Q47 M51 F52 F53 W110 R236 V325 F329E45-Y49 HydrophobicContact CG-CD2 3.91Å; E45-Y49 HydrophobicContact CG-CE1 4.22Å; E45-Y49 HydrophobicContact CG-CE2 3.31Å; E45-Y49 VanDerWaalsContact CG-CZ 3.47Å; E45-Y49 WeakPolarHBondContact O-CD2 3.41Å; E45-Y49 VanDerWaalsContact O-CG 3.26Å; E45-Y49 PolarHBondContact O-N 2.91Å; G46-Y49 PolarHBondContact O-N 3Å; Q47-Y49 VanDerWaalsContact C-N 3.35Å; Q47-Y49 PolarHBondContact O-N 3.46Å; Y49-M51 VanDerWaalsContact C-N 3.3Å; Y49-M51 PolarHBondContact O-N 3.47Å; Y49-F52 WeakPolarHBondContact O-CB 3.28Å; Y49-F52 PolarHBondContact O-N 3.49Å; Y49-F52 VanDerWaalsContact O-N 3.16Å; Y49-F53 WeakPolarHBondContact O-CD2 3.08Å; Y49-F53 VanDerWaalsContact O-CG 3.23Å; Y49-F53 WeakPolarHBondContact O-CG 3.48Å; Y49-F53 PolarHBondContact O-N 3.33Å; Y49-W110 HydrophobicContact CD1-CD2 4.5Å; Y49-W110 HydrophobicContact CD1-CG 4.24Å; Y49-W110 HydrophobicContact CE1-CB 4.49Å; Y49-W110 AromaticContact CE1-CD1 3.61Å; Y49-W110 HydrophobicContact CE1-CD2 4.27Å; Y49-W110 AromaticContact CE1-CG 3.89Å; Y49-W110 HydrophobicContact CE1-CG 3.89Å; Y49-W110 AromaticContact CE1-NE1 3.79Å; Y49-R236 PolarHBondContact OH-NH1 3.11Å; Y49-V325 HydrophobicContact CD2-CG1 3.27Å; Y49-V325 HydrophobicContact CE2-CG1 3.66Å; Y49-V325 HydrophobicContact CG-CG1 4.11Å; Y49-F329 AromaticContact CD1-CE2 3.65Å; Y49-F329 HydrophobicContact CD1-CE2 3.65Å; Y49-F329 AromaticContact CD1-CZ 3.6Å; Y49-F329 HydrophobicContact CD1-CZ 3.6Å; Y49-F329 HydrophobicContact CD2-CE2 4.07Å; Y49-F329 AromaticContact CE1-CE2 3.92Å; Y49-F329 HydrophobicContact CE1-CE2 3.92Å; Y49-F329 AromaticContact CE1-CZ 3.96Å; Y49-F329 HydrophobicContact CE1-CZ 3.96Å; Y49-F329 HydrophobicContact CE2-CE2 4.26Å; Y49-F329 AromaticContact CG-CE2 3.73Å; Y49-F329 HydrophobicContact CG-CE2 3.73Å; Y49-F329 HydrophobicContact CG-CZ 4.07Å
50G98.8Very high98.5Very high0 Ų018.3 Ų18.30%09%0.091CC..Hα-helixtrans-56.2-44.2172.500000112.2G46 Q47 F53 A54G46-G50 PolarHBondContact O-N 2.91Å; Q47-G50 PolarHBondContact O-N 2.88Å; G50-F53 PolarHBondContact O-N 2.99Å; G50-A54 VanDerWaalsContact O-CB 3.27Å; G50-A54 WeakPolarHBondContact O-CB 3.28Å; G50-A54 PolarHBondContact O-N 2.83Å
51M98.9Very high98.5Very high0 Ų018 Ų180%010%0.104CC..Hα-helixtrans-63.4-43.6174.6-68.1174.770.600112.1Q47 S48 Y49 L55 F63 I66 L67 M111 L115Q47-M51 VanDerWaalsContact O-CG 3.32Å; Q47-M51 WeakPolarHBondContact O-CG 3.3Å; Q47-M51 PolarHBondContact O-N 3.28Å; S48-M51 PolarHBondContact O-N 2.91Å; Y49-M51 VanDerWaalsContact C-N 3.3Å; Y49-M51 PolarHBondContact O-N 3.47Å; M51-L55 WeakPolarHBondContact O-CB 3.46Å; M51-L55 PolarHBondContact O-N 3.43Å; M51-F63 HydrophobicContact CB-CD2 4.12Å; M51-F63 HydrophobicContact CB-CE2 3.82Å; M51-F63 HydrophobicContact CB-CZ 4.45Å; M51-F63 HydrophobicContact CE-CE1 3.89Å; M51-F63 HydrophobicContact CE-CE2 4.05Å; M51-F63 HydrophobicContact CE-CZ 3.52Å; M51-F63 HydrophobicContact CG-CE2 4.44Å; M51-F63 VanDerWaalsContact O-CD2 3.23Å; M51-F63 WeakPolarHBondContact O-CD2 3.38Å; M51-F63 WeakPolarHBondContact O-CE2 3.46Å; M51-I66 HydrophobicContact CG-CB 4.25Å; M51-I66 HydrophobicContact CG-CG2 3.56Å; M51-I66 HydrophobicContact SD-CG2 4.49Å; M51-L67 HydrophobicContact CE-CB 4.25Å; M51-L67 HydrophobicContact CE-CD1 3.95Å; M51-M111 HydrophobicContact CE-CG 4.22Å; M51-M111 HydrophobicContact SD-CG 3.81Å; M51-L115 HydrophobicContact CE-CD1 4.25Å; M51-L115 HydrophobicContact CE-CD2 3.8Å; M51-L115 HydrophobicContact CE-CG 3.67Å
52F98.9Very high98.5Very high0 Ų017.9 Ų17.90%011%0.106CC..Hα-helixtrans-60-48.8175.9168.9-99.1000112S48 Y49 L55 A56 W110 W113 F329 F338 F340 L346S48-F52 PolarHBondContact O-N 2.89Å; Y49-F52 WeakPolarHBondContact O-CB 3.28Å; Y49-F52 PolarHBondContact O-N 3.49Å; Y49-F52 VanDerWaalsContact O-N 3.16Å; F52-L55 PolarHBondContact O-N 3.06Å; F52-A56 WeakPolarHBondContact O-CB 3.42Å; F52-A56 PolarHBondContact O-N 2.73Å; F52-W110 HydrophobicContact CB-CE3 4.3Å; F52-W110 HydrophobicContact CD2-CE3 4.06Å; F52-W110 AromaticContact CD2-CZ3 3.52Å; F52-W110 HydrophobicContact CD2-CZ3 3.52Å; F52-W110 AromaticContact CE2-CZ3 3.82Å; F52-W110 HydrophobicContact CE2-CZ3 3.82Å; F52-W110 HydrophobicContact CG-CE3 4.2Å; F52-W110 AromaticContact CG-CZ3 3.92Å; F52-W110 HydrophobicContact CG-CZ3 3.92Å; F52-W110 HydrophobicContact CZ-CZ3 4.45Å; F52-W113 HydrophobicContact CD2-CE3 4.27Å; F52-W113 HydrophobicContact CD2-CH2 4.28Å; F52-W113 AromaticContact CD2-CZ3 3.59Å; F52-W113 HydrophobicContact CD2-CZ3 3.59Å; F52-W113 HydrophobicContact CE2-CH2 4.03Å; F52-W113 AromaticContact CE2-CZ3 3.81Å; F52-W113 HydrophobicContact CE2-CZ3 3.81Å; F52-F329 HydrophobicContact CD1-CD1 4.09Å; F52-F329 AromaticContact CD1-CE1 3.28Å; F52-F329 HydrophobicContact CD1-CE1 3.28Å; F52-F329 AromaticContact CD1-CZ 3.68Å; F52-F329 HydrophobicContact CD1-CZ 3.68Å; F52-F329 AromaticContact CE1-CD1 3.63Å; F52-F329 HydrophobicContact CE1-CD1 3.63Å; F52-F329 AromaticContact CE1-CE1 3.21Å; F52-F329 HydrophobicContact CE1-CE1 3.21Å; F52-F329 HydrophobicContact CE1-CZ 4.08Å; F52-F329 HydrophobicContact CG-CE1 4.07Å; F52-F329 HydrophobicContact CG-CZ 4.34Å; F52-F329 HydrophobicContact CZ-CD1 4.34Å; F52-F329 AromaticContact CZ-CE1 3.95Å; F52-F329 HydrophobicContact CZ-CE1 3.95Å; F52-F338 HydrophobicContact CE1-CD1 4.18Å; F52-F338 AromaticContact CE1-CE1 3.83Å; F52-F338 HydrophobicContact CE1-CE1 3.83Å; F52-F338 HydrophobicContact CE1-CE2 4.2Å; F52-F338 AromaticContact CE1-CZ 3.84Å; F52-F338 HydrophobicContact CE1-CZ 3.84Å; F52-F338 AromaticContact CZ-CD1 3.95Å; F52-F338 HydrophobicContact CZ-CD1 3.95Å; F52-F338 AromaticContact CZ-CD2 3.7Å; F52-F338 HydrophobicContact CZ-CD2 3.7Å; F52-F338 AromaticContact CZ-CE1 3.93Å; F52-F338 HydrophobicContact CZ-CE1 3.93Å; F52-F338 AromaticContact CZ-CE2 3.67Å; F52-F338 HydrophobicContact CZ-CE2 3.67Å; F52-F338 AromaticContact CZ-CG 3.85Å; F52-F338 HydrophobicContact CZ-CG 3.85Å; F52-F338 AromaticContact CZ-CZ 3.78Å; F52-F338 HydrophobicContact CZ-CZ 3.78Å; F52-F340 HydrophobicContact CE2-CE1 4.43Å; F52-F340 HydrophobicContact CE2-CZ 4.2Å; F52-F340 HydrophobicContact CZ-CZ 4.37Å; F52-L346 HydrophobicContact CE2-CD1 4.48Å
53F98.7Very high98.5Very high0 Ų017.9 Ų17.90%011%0.105CC..Hα-helixtrans-66.2-40.8-179.2-58.8-43.2000112W15 W18 Y49 G50 L55 A56 A57 V325 L328 F329W15-F53 AromaticContact CH2-CD1 3.87Å; W15-F53 HydrophobicContact CH2-CD1 3.87Å; W15-F53 HydrophobicContact CZ3-CB 4.29Å; W15-F53 HydrophobicContact CZ3-CD1 4.17Å; W18-F53 HydrophobicContact CD2-CB 4.21Å; W18-F53 HydrophobicContact CE3-CB 3.57Å; W18-F53 HydrophobicContact CE3-CG 4.44Å; W18-F53 HydrophobicContact CH2-CB 4.4Å; W18-F53 HydrophobicContact CZ3-CB 3.69Å; W18-F53 HydrophobicContact CZ3-CD2 4.38Å; Y49-F53 WeakPolarHBondContact O-CD2 3.08Å; Y49-F53 VanDerWaalsContact O-CG 3.23Å; Y49-F53 WeakPolarHBondContact O-CG 3.48Å; Y49-F53 PolarHBondContact O-N 3.33Å; G50-F53 PolarHBondContact O-N 2.99Å; F53-L55 VanDerWaalsContact C-N 3.32Å; F53-L55 PolarHBondContact O-N 2.87Å; F53-A56 PolarHBondContact O-N 3.29Å; F53-A57 VanDerWaalsContact O-CB 3.3Å; F53-A57 WeakPolarHBondContact O-CB 3.29Å; F53-A57 PolarHBondContact O-N 3.31Å; F53-V325 HydrophobicContact CE2-CG1 4.38Å; F53-V325 HydrophobicContact CZ-CG1 4.24Å; F53-L328 HydrophobicContact CD1-CB 3.98Å; F53-L328 HydrophobicContact CD1-CD1 4.49Å; F53-L328 HydrophobicContact CD2-CB 4.34Å; F53-L328 HydrophobicContact CD2-CD1 3.55Å; F53-L328 HydrophobicContact CE1-CB 3.51Å; F53-L328 HydrophobicContact CE1-CD1 4.49Å; F53-L328 HydrophobicContact CE2-CB 3.9Å; F53-L328 HydrophobicContact CE2-CD1 3.53Å; F53-L328 HydrophobicContact CE2-CG 4.38Å; F53-L328 HydrophobicContact CG-CB 4.39Å; F53-L328 HydrophobicContact CG-CD1 4.07Å; F53-L328 HydrophobicContact CZ-CB 3.47Å; F53-L328 VanDerWaalsContact CZ-CB 3.47Å; F53-L328 HydrophobicContact CZ-CD1 4.03Å; F53-L328 HydrophobicContact CZ-CG 4.41Å; F53-F329 AromaticContact CE1-CD1 3.94Å; F53-F329 HydrophobicContact CE1-CD1 3.94Å; F53-F329 AromaticContact CE1-CD2 3.8Å; F53-F329 HydrophobicContact CE1-CD2 3.8Å; F53-F329 AromaticContact CE1-CE1 3.96Å; F53-F329 HydrophobicContact CE1-CE1 3.96Å; F53-F329 AromaticContact CE1-CE2 3.8Å; F53-F329 HydrophobicContact CE1-CE2 3.8Å; F53-F329 AromaticContact CE1-CG 3.86Å; F53-F329 HydrophobicContact CE1-CG 3.86Å; F53-F329 AromaticContact CE1-CZ 3.87Å; F53-F329 HydrophobicContact CE1-CZ 3.87Å; F53-F329 HydrophobicContact CE2-CE2 4.41Å; F53-F329 HydrophobicContact CZ-CD1 4.47Å; F53-F329 AromaticContact CZ-CD2 3.51Å; F53-F329 HydrophobicContact CZ-CD2 3.51Å; F53-F329 HydrophobicContact CZ-CE1 4.41Å; F53-F329 AromaticContact CZ-CE2 3.41Å; F53-F329 HydrophobicContact CZ-CE2 3.41Å; F53-F329 VanDerWaalsContact CZ-CE2 3.41Å; F53-F329 HydrophobicContact CZ-CG 4.05Å; F53-F329 AromaticContact CZ-CZ 3.9Å; F53-F329 HydrophobicContact CZ-CZ 3.9Å
54A98.6Very high98.5Very high0 Ų018.8 Ų18.80%011%0.109CC..Hα-helixtrans-59-43.9173.900000111.3W18 G50 A57 N58 D59 A62 F63W18-A54 HydrophobicContact CH2-CB 4.08Å; W18-A54 HydrophobicContact CZ2-CB 3.71Å; G50-A54 VanDerWaalsContact O-CB 3.27Å; G50-A54 WeakPolarHBondContact O-CB 3.28Å; G50-A54 PolarHBondContact O-N 2.83Å; A54-A57 PolarHBondContact O-N 2.84Å; A54-N58 PolarHBondContact O-N 2.7Å; A54-D59 HydrophobicContact CB-CB 4.42Å; A54-D59 PolarHBondContact O-N 2.9Å; A54-A62 HydrophobicContact CB-CB 4.22Å; A54-F63 HydrophobicContact CB-CB 3.9Å; A54-F63 HydrophobicContact CB-CD2 4.3Å
55L98.5Very high98.5Very high0 Ų021.6 Ų21.60%013%0.125CC..Hα-helixtrans-63.6-47.2174.8179.561.5000111.9M51 F52 F53 A57 N58 F63 W113 E117 A118 L121 W122 L346 W350M51-L55 WeakPolarHBondContact O-CB 3.46Å; M51-L55 PolarHBondContact O-N 3.43Å; F52-L55 PolarHBondContact O-N 3.06Å; F53-L55 VanDerWaalsContact C-N 3.32Å; F53-L55 PolarHBondContact O-N 2.87Å; L55-A57 PolarHBondContact O-N 3.12Å; L55-N58 PolarHBondContact O-N 2.69Å; L55-N58 VanDerWaalsContact O-N 3.08Å; L55-F63 HydrophobicContact CB-CD2 4.17Å; L55-F63 HydrophobicContact CB-CE2 4.2Å; L55-W113 HydrophobicContact CD2-CZ3 4.45Å; L55-E117 HydrophobicContact CD2-CB 3.79Å; L55-A118 HydrophobicContact CD1-CB 3.95Å; L55-A118 HydrophobicContact CD2-CB 4.25Å; L55-L121 HydrophobicContact CD1-CD1 4.22Å; L55-W122 HydrophobicContact CB-CH2 4.39Å; L55-W122 HydrophobicContact CD1-CD2 4.17Å; L55-W122 HydrophobicContact CD1-CE3 4.24Å; L55-W122 HydrophobicContact CD1-CH2 3.8Å; L55-W122 HydrophobicContact CD1-CZ2 3.7Å; L55-W122 HydrophobicContact CD1-CZ3 4.07Å; L55-L346 HydrophobicContact CD2-CD2 3.67Å; L55-L346 HydrophobicContact CG-CD2 3.6Å; L55-W350 HydrophobicContact CD1-CZ2 4.11Å; L55-W350 VanDerWaalsContact O-CZ2 3.29Å; L55-W350 WeakPolarHBondContact O-CZ2 3.36Å; L55-W350 PolarHBondContact O-NE1 3.02Å; L55-W350 VanDerWaalsContact O-NE1 3.11Å
56A97.9Very high98.5Very high2 Ų220.1 Ų20.12%0.01712%0.118CC..Hα-helixtrans-59.7-35.1177.500000112.3W15 F52 F53 N58 F338 W350W15-A56 HydrophobicContact CZ3-CB 3.99Å; F52-A56 WeakPolarHBondContact O-CB 3.42Å; F52-A56 PolarHBondContact O-N 2.73Å; F53-A56 PolarHBondContact O-N 3.29Å; A56-N58 VanDerWaalsContact C-N 3.32Å; A56-N58 PolarHBondContact O-N 3.29Å; A56-F338 HydrophobicContact CB-CB 4.28Å; A56-F338 HydrophobicContact CB-CD1 4.09Å; A56-F338 HydrophobicContact CB-CG 4.5Å; A56-W350 VanDerWaalsContact O-CD1 3.22Å; A56-W350 PolarHBondContact O-NE1 2.85Å
57A97.4Very high98.5Very high30 Ų3020 Ų2025%0.24812%0.117CC..THydrogen-bonded Turntrans-81.5-1.8177.400000114.9W15 W18 F53 A54 L55 D59W15-A57 HydrophobicContact CE3-CB 4.16Å; W18-A57 VanDerWaalsContact CD1-CB 3.43Å; W18-A57 HydrophobicContact CG-CB 4.04Å; F53-A57 VanDerWaalsContact O-CB 3.3Å; F53-A57 WeakPolarHBondContact O-CB 3.29Å; F53-A57 PolarHBondContact O-N 3.31Å; A54-A57 PolarHBondContact O-N 2.84Å; L55-A57 PolarHBondContact O-N 3.12Å; A57-D59 HydrophobicContact CB-CB 4.19Å; A57-D59 PolarHBondContact O-N 3.26Å
58N97.7Very high98.5Very high72 Ų7223.1 Ų23.139%0.38513%0.133SC..THydrogen-bonded Turntrans5828.4-168.6-15520.3000113.8A54 L55 A56 R60 W122 W350A54-N58 PolarHBondContact O-N 2.7Å; L55-N58 PolarHBondContact O-N 2.69Å; L55-N58 VanDerWaalsContact O-N 3.08Å; A56-N58 VanDerWaalsContact C-N 3.32Å; A56-N58 PolarHBondContact O-N 3.29Å; N58-R60 PolarHBondContact O-N 3.41Å; N58-W122 PolarHBondContact OD1-NE1 2.85Å; N58-W350 HydrophobicContact CB-CB 4.37Å; N58-W350 HydrophobicContact CB-CD2 3.73Å; N58-W350 HydrophobicContact CB-CE3 4.46Å; N58-W350 HydrophobicContact CB-CG 3.68Å; N58-W350 HydrophobicContact CB-CZ2 4.32Å
59D97.6Very high98.5Very high27 Ų2724 Ų2414%0.14414%0.137CC..  trans-93.775.6-177.1-171.4-9.2000110.7W18 K22 A54 A57 A61 A62 F63W18-D59 PolarHBondContact NE1-OD2 3.11Å; K22-D59 WeakPolarHBondContact CD-OD2 3.03Å; K22-D59 WeakPolarHBondContact CE-OD2 3.47Å; K22-D59 IonicContact NZ-OD2 3.02Å; K22-D59 PolarHBondContact NZ-OD2 3.38Å; A54-D59 HydrophobicContact CB-CB 4.42Å; A54-D59 PolarHBondContact O-N 2.9Å; A57-D59 HydrophobicContact CB-CB 4.19Å; A57-D59 PolarHBondContact O-N 3.26Å; D59-A61 VanDerWaalsContact C-N 3.26Å; D59-A61 PolarHBondContact O-N 2.86Å; D59-A62 HydrophobicContact CB-CB 4.3Å; D59-A62 PolarHBondContact O-N 3.25Å; D59-A62 WeakPolarHBondContact OD1-CB 3.47Å; D59-A62 PolarHBondContact OD1-N 3.31Å; D59-A62 VanDerWaalsContact OD2-CB 3.27Å; D59-A62 WeakPolarHBondContact OD2-CB 3.28Å; D59-F63 PolarHBondContact O-N 3.07Å
60R97.9Very high98.5Very high93 Ų9323.8 Ų23.835%0.35114%0.136SC..Hα-helixtrans-61.2-35.3-178.6-171.7172.5-178.7175.22.7112.7N58 F63 D64 W122 E124 Y127N58-R60 PolarHBondContact O-N 3.41Å; R60-F63 PolarHBondContact O-N 2.85Å; R60-D64 PolarHBondContact O-N 2.75Å; R60-W122 HydrophobicContact CB-CH2 4.09Å; R60-W122 HydrophobicContact CB-CZ2 4.02Å; R60-W122 HydrophobicContact CB-CZ3 4.35Å; R60-W122 HydrophobicContact CG-CD2 4.36Å; R60-W122 HydrophobicContact CG-CE3 4.12Å; R60-W122 HydrophobicContact CG-CH2 4.36Å; R60-W122 HydrophobicContact CG-CZ3 4.12Å; R60-E124 IonicContact NH2-OE2 3.68Å; R60-E124 PolarHBondContact NH2-OE2 3.16Å; R60-Y127 PolarHBondContact NE-OH 2.85Å
61A98.2Very high98.5Very high77 Ų7725 Ų2564%0.63614%0.141SC*.Hα-helixtrans-64.9-46-179.800000111.7D59 N65D59-A61 VanDerWaalsContact C-N 3.26Å; D59-A61 PolarHBondContact O-N 2.86Å; A61-N65 WeakPolarHBondContact O-CB 3.34Å; A61-N65 PolarHBondContact O-N 3.29Å; A61-N65 VanDerWaalsContact O-N 3.11Å
62A98.6Very high98.5Very high14 Ų1429.9 Ų29.912%0.11617%0.168CC..Hα-helixtrans-66.3-38.8174.100000111.8W18 K22 A54 D59 D64 N65 I66W18-A62 HydrophobicContact CZ2-CB 3.76Å; K22-A62 HydrophobicContact CD-CB 4.01Å; A54-A62 HydrophobicContact CB-CB 4.22Å; D59-A62 HydrophobicContact CB-CB 4.3Å; D59-A62 PolarHBondContact O-N 3.25Å; D59-A62 WeakPolarHBondContact OD1-CB 3.47Å; D59-A62 PolarHBondContact OD1-N 3.31Å; D59-A62 VanDerWaalsContact OD2-CB 3.27Å; D59-A62 WeakPolarHBondContact OD2-CB 3.28Å; A62-D64 PolarHBondContact O-N 3.13Å; A62-N65 PolarHBondContact O-N 2.86Å; A62-I66 WeakPolarHBondContact O-CB 3.25Å; A62-I66 WeakPolarHBondContact O-CD1 3.5Å; A62-I66 WeakPolarHBondContact O-CG1 3.36Å; A62-I66 PolarHBondContact O-N 2.95Å
63F98.8Very high98.5Very high0 Ų032.4 Ų32.40%018%0.181CC..Hα-helixtrans-58.6-48.6177-171.1-80.5000112.1M51 A54 L55 D59 R60 I66 L67 L115 A118 W122 Y127M51-F63 HydrophobicContact CB-CD2 4.12Å; M51-F63 HydrophobicContact CB-CE2 3.82Å; M51-F63 HydrophobicContact CB-CZ 4.45Å; M51-F63 HydrophobicContact CE-CE1 3.89Å; M51-F63 HydrophobicContact CE-CE2 4.05Å; M51-F63 HydrophobicContact CE-CZ 3.52Å; M51-F63 HydrophobicContact CG-CE2 4.44Å; M51-F63 VanDerWaalsContact O-CD2 3.23Å; M51-F63 WeakPolarHBondContact O-CD2 3.38Å; M51-F63 WeakPolarHBondContact O-CE2 3.46Å; A54-F63 HydrophobicContact CB-CB 3.9Å; A54-F63 HydrophobicContact CB-CD2 4.3Å; L55-F63 HydrophobicContact CB-CD2 4.17Å; L55-F63 HydrophobicContact CB-CE2 4.2Å; D59-F63 PolarHBondContact O-N 3.07Å; R60-F63 PolarHBondContact O-N 2.85Å; F63-I66 PolarHBondContact O-N 2.97Å; F63-L67 HydrophobicContact CE1-CD2 4.35Å; F63-L67 VanDerWaalsContact O-CB 3.28Å; F63-L67 WeakPolarHBondContact O-CB 3.36Å; F63-L67 PolarHBondContact O-N 2.96Å; F63-L115 HydrophobicContact CE1-CD2 4.14Å; F63-L115 HydrophobicContact CZ-CD2 4.18Å; F63-A118 HydrophobicContact CE1-CB 4.01Å; F63-A118 HydrophobicContact CE2-CB 3.92Å; F63-A118 HydrophobicContact CZ-CB 3.54Å; F63-W122 HydrophobicContact CB-CH2 3.64Å; F63-W122 HydrophobicContact CB-CZ3 3.78Å; F63-W122 HydrophobicContact CD1-CH2 4.45Å; F63-W122 AromaticContact CD1-CZ3 3.76Å; F63-W122 HydrophobicContact CD1-CZ3 3.76Å; F63-W122 AromaticContact CD2-CH2 3.9Å; F63-W122 HydrophobicContact CD2-CH2 3.9Å; F63-W122 AromaticContact CD2-CZ3 3.84Å; F63-W122 HydrophobicContact CD2-CZ3 3.84Å; F63-W122 HydrophobicContact CE1-CZ3 4.29Å; F63-W122 HydrophobicContact CE2-CZ3 4.36Å; F63-W122 AromaticContact CG-CH2 3.76Å; F63-W122 HydrophobicContact CG-CH2 3.76Å; F63-W122 AromaticContact CG-CZ3 3.52Å; F63-W122 HydrophobicContact CG-CZ3 3.52Å; F63-Y127 HydrophobicContact CD1-CE1 4.19Å; F63-Y127 HydrophobicContact CE1-CD1 4.02Å; F63-Y127 HydrophobicContact CE1-CE1 4.01Å; F63-Y127 HydrophobicContact CE1-CG 4.32Å
64D98.8Very high98.5Very high40 Ų4032.7 Ų32.721%0.21418%0.183CC..Hα-helixtrans-61.5-44.8177.5-81.8-38.5000111.6R60 A62 I66 L67 D68 Y127R60-D64 PolarHBondContact O-N 2.75Å; A62-D64 PolarHBondContact O-N 3.13Å; D64-I66 PolarHBondContact O-N 3.36Å; D64-L67 PolarHBondContact O-N 2.78Å; D64-D68 WeakPolarHBondContact O-CB 3.39Å; D64-D68 PolarHBondContact O-N 3.43Å; D64-Y127 VanDerWaalsContact OD1-CE1 3.29Å; D64-Y127 WeakPolarHBondContact OD1-CE1 3.48Å; D64-Y127 VanDerWaalsContact OD1-CZ 3.27Å; D64-Y127 PolarHBondContact OD1-OH 3.48Å; D64-Y127 PolarHBondContact OD2-OH 3.42Å; D64-Y127 VanDerWaalsContact OD2-OH 3.08Å
65N98.8Very high98.5Very high61 Ų6133 Ų3333%0.32619%0.185SC..Hα-helixtrans-63.4-43.4-179.8-159.929000112Q28 G30 A61 A62 W69Q28-N65 PolarHBondContact O-ND2 2.89Å; G30-N65 PolarHBondContact N-ND2 3.14Å; A61-N65 WeakPolarHBondContact O-CB 3.34Å; A61-N65 PolarHBondContact O-N 3.29Å; A61-N65 VanDerWaalsContact O-N 3.11Å; A62-N65 PolarHBondContact O-N 2.86Å; N65-W69 PolarHBondContact O-N 3.24Å
66I98.9Very high98.4Very high1 Ų142 Ų421%0.00523%0.227CC..Hα-helixtrans-65.6-42.4176.5-64.7164.3000110.8W18 I26 G30 Q47 M51 A62 F63 D64 T70W18-I66 HydrophobicContact CH2-CD1 4.11Å; I26-I66 HydrophobicContact CD1-CD1 3.82Å; I26-I66 HydrophobicContact CG2-CG1 4.44Å; G30-I66 WeakPolarHBondContact O-CA 3.34Å; Q47-I66 HydrophobicContact CB-CG2 4.45Å; Q47-I66 PolarHBondContact NE2-O 3.27Å; M51-I66 HydrophobicContact CG-CB 4.25Å; M51-I66 HydrophobicContact CG-CG2 3.56Å; M51-I66 HydrophobicContact SD-CG2 4.49Å; A62-I66 WeakPolarHBondContact O-CB 3.25Å; A62-I66 WeakPolarHBondContact O-CD1 3.5Å; A62-I66 WeakPolarHBondContact O-CG1 3.36Å; A62-I66 PolarHBondContact O-N 2.95Å; F63-I66 PolarHBondContact O-N 2.97Å; D64-I66 PolarHBondContact O-N 3.36Å; I66-T70 VanDerWaalsContact O-CB 3.32Å; I66-T70 WeakPolarHBondContact O-CB 3.15Å; I66-T70 PolarHBondContact O-N 3.44Å; I66-T70 PolarHBondContact O-OG1 3.47Å
67L98.9Very high98.5Very high0 Ų043.3 Ų43.30%024%0.242CC..Hα-helixtrans-61.8-48.2177.2174.258.8000111.5M51 F63 D64 W69 T70 Q71 L79 L115 Y127 I130M51-L67 HydrophobicContact CE-CB 4.25Å; M51-L67 HydrophobicContact CE-CD1 3.95Å; F63-L67 HydrophobicContact CE1-CD2 4.35Å; F63-L67 VanDerWaalsContact O-CB 3.28Å; F63-L67 WeakPolarHBondContact O-CB 3.36Å; F63-L67 PolarHBondContact O-N 2.96Å; D64-L67 PolarHBondContact O-N 2.78Å; L67-W69 PolarHBondContact O-N 3.31Å; L67-T70 WeakPolarHBondContact O-CB 3.21Å; L67-T70 PolarHBondContact O-N 3.39Å; L67-Q71 HydrophobicContact CD1-CG 4.03Å; L67-Q71 WeakPolarHBondContact O-CG 3.46Å; L67-Q71 PolarHBondContact O-N 3.48Å; L67-L79 HydrophobicContact CD1-CD1 3.85Å; L67-L115 HydrophobicContact CD1-CD2 3.95Å; L67-L115 HydrophobicContact CD2-CD2 3.87Å; L67-Y127 HydrophobicContact CD2-CD1 3.82Å; L67-Y127 HydrophobicContact CD2-CE1 3.84Å; L67-I130 HydrophobicContact CD2-CD1 4.3Å
68D98.8Very high98.5Very high64 Ų6442.8 Ų42.834%0.34224%0.236SC..Hα-helixtrans-63.7-42-178.5-74.2-12.3000110.9D64 T70 N72 R126D64-D68 WeakPolarHBondContact O-CB 3.39Å; D64-D68 PolarHBondContact O-N 3.43Å; D68-T70 PolarHBondContact O-N 3.21Å; D68-N72 WeakPolarHBondContact O-CB 3.23Å; D68-N72 PolarHBondContact O-N 3Å; D68-N72 VanDerWaalsContact O-N 3.12Å; D68-N72 PolarHBondContact O-ND2 3.39Å; D68-R126 IonicContact OD1-CZ 2.62Å; D68-R126 IonicContact OD1-NH2 3.92Å; D68-R126 PolarHBondContact OD1-NH2 3.29Å
69W98.9Very high98.6Very high19 Ų1939.4 Ų39.47%0.07222%0.218CC..Hα-helixtrans-60.4-46.4173.6-166.791.2000112E29 R31 T42 Q47 N65 L67 N72 N73 L74 W88E29-W69 VanDerWaalsContact O-CB 3.32Å; E29-W69 WeakPolarHBondContact O-CB 3.39Å; E29-W69 VanDerWaalsContact O-CD1 3.24Å; R31-W69 HydrophobicContact CB-CD2 3.43Å; R31-W69 VanDerWaalsContact CB-CD2 3.43Å; R31-W69 HydrophobicContact CB-CE3 3.91Å; R31-W69 HydrophobicContact CB-CG 3.87Å; R31-W69 HydrophobicContact CB-CH2 4.07Å; R31-W69 HydrophobicContact CB-CZ2 3.61Å; R31-W69 HydrophobicContact CB-CZ3 4.21Å; R31-W69 HydrophobicContact CG-CZ2 4.3Å; T42-W69 HydrophobicContact CG2-CE3 4.27Å; T42-W69 HydrophobicContact CG2-CH2 3.65Å; T42-W69 HydrophobicContact CG2-CZ3 3.41Å; T42-W69 VanDerWaalsContact CG2-CZ3 3.41Å; Q47-W69 HydrophobicContact CG-CE3 4.3Å; Q47-W69 HydrophobicContact CG-CZ3 4.3Å; N65-W69 PolarHBondContact O-N 3.24Å; L67-W69 PolarHBondContact O-N 3.31Å; W69-N72 PolarHBondContact O-N 2.84Å; W69-N73 HydrophobicContact CD2-CB 4.02Å; W69-N73 HydrophobicContact CE3-CB 4.07Å; W69-N73 HydrophobicContact CH2-CB 3.74Å; W69-N73 HydrophobicContact CZ2-CB 3.67Å; W69-N73 HydrophobicContact CZ3-CB 3.93Å; W69-N73 PolarHBondContact NE1-ND2 2.91Å; W69-N73 WeakPolarHBondContact O-CB 3.36Å; W69-N73 PolarHBondContact O-N 3.04Å; W69-N73 PolarHBondContact O-ND2 2.88Å; W69-L74 HydrophobicContact CE3-CG 4.5Å; W69-L74 HydrophobicContact CH2-CD2 4.13Å; W69-L74 HydrophobicContact CH2-CG 4.47Å; W69-L74 HydrophobicContact CZ3-CD1 4.06Å; W69-L74 HydrophobicContact CZ3-CD2 3.87Å; W69-L74 HydrophobicContact CZ3-CG 3.74Å; W69-W88 HydrophobicContact CH2-CB 4.24Å; W69-W88 AromaticContact CH2-CD2 3.72Å; W69-W88 HydrophobicContact CH2-CD2 3.72Å; W69-W88 AromaticContact CH2-CE3 3.85Å; W69-W88 HydrophobicContact CH2-CE3 3.85Å; W69-W88 AromaticContact CH2-CG 3.9Å; W69-W88 HydrophobicContact CH2-CG 3.9Å; W69-W88 HydrophobicContact CH2-CZ3 4.46Å; W69-W88 AromaticContact CZ2-CD2 3.85Å; W69-W88 HydrophobicContact CZ2-CD2 3.85Å; W69-W88 AromaticContact CZ2-CE2 3.95Å; W69-W88 AromaticContact CZ2-CE3 3.86Å; W69-W88 HydrophobicContact CZ2-CE3 3.86Å; W69-W88 HydrophobicContact CZ2-CG 4.43Å; W69-W88 HydrophobicContact CZ2-CH2 4.11Å; W69-W88 HydrophobicContact CZ2-CZ2 4.09Å; W69-W88 HydrophobicContact CZ2-CZ3 4.03Å
70T98.9Very high98.6Very high0 Ų042.4 Ų42.40%023%0.23CC..Hα-helixtrans-59.4-50.2-179.3-58.20000111.3Q47 I66 L67 D68 N72 L74 A75 L79 M111Q47-T70 HydrophobicContact CB-CG2 4.36Å; Q47-T70 WeakPolarHBondContact CB-OG1 3.48Å; Q47-T70 WeakPolarHBondContact CG-OG1 3.02Å; Q47-T70 PolarHBondContact NE2-OG1 3.45Å; I66-T70 VanDerWaalsContact O-CB 3.32Å; I66-T70 WeakPolarHBondContact O-CB 3.15Å; I66-T70 PolarHBondContact O-N 3.44Å; I66-T70 PolarHBondContact O-OG1 3.47Å; L67-T70 WeakPolarHBondContact O-CB 3.21Å; L67-T70 PolarHBondContact O-N 3.39Å; D68-T70 PolarHBondContact O-N 3.21Å; T70-N72 PolarHBondContact O-N 3.16Å; T70-L74 HydrophobicContact CG2-CD1 4.31Å; T70-L74 WeakPolarHBondContact O-CA 3.3Å; T70-L74 WeakPolarHBondContact O-CB 3.36Å; T70-L74 PolarHBondContact O-N 3.2Å; T70-A75 PolarHBondContact O-N 2.85Å; T70-L79 HydrophobicContact CG2-CD1 4.25Å; T70-L79 HydrophobicContact CG2-CD2 4.49Å; T70-M111 HydrophobicContact CG2-CE 3.5Å; T70-M111 HydrophobicContact CG2-SD 3.71Å
71Q98.8Very high98.6Very high24 Ų2444.9 Ų44.911%0.11225%0.245CC..Hα-helixtrans-57.3-50.3178.4-77.6-169.4-13100111L67 A75 Q76 G77 L79L67-Q71 HydrophobicContact CD1-CG 4.03Å; L67-Q71 WeakPolarHBondContact O-CG 3.46Å; L67-Q71 PolarHBondContact O-N 3.48Å; Q71-A75 CarbonylContact O-C 3.5Å; Q71-A75 WeakPolarHBondContact O-CA 3.32Å; Q71-A75 PolarHBondContact O-N 3.47Å; Q71-Q76 PolarHBondContact O-N 2.99Å; Q71-G77 PolarHBondContact NE2-O 3.22Å; Q71-G77 CarbonylContact O-C 3.22Å; Q71-G77 WeakPolarHBondContact O-CA 3.32Å; Q71-G77 PolarHBondContact O-N 2.65Å; Q71-L79 HydrophobicContact CG-CB 4.38Å; Q71-L79 HydrophobicContact CG-CD1 3.87Å; Q71-L79 HydrophobicContact CG-CG 3.94Å
72N98.7Very high98.5Very high103 Ų10342.2 Ų42.255%0.55123%0.225SC*.Hα-helixtrans-71.1-38.4-173.7-70.7-38.6000113.5D68 W69 T70D68-N72 WeakPolarHBondContact O-CB 3.23Å; D68-N72 PolarHBondContact O-N 3Å; D68-N72 VanDerWaalsContact O-N 3.12Å; D68-N72 PolarHBondContact O-ND2 3.39Å; W69-N72 PolarHBondContact O-N 2.84Å; T70-N72 PolarHBondContact O-N 3.16Å
73N98.7Very high98.5Very high53 Ų5342.1 Ų42.128%0.28322%0.223SC..Hα-helixtrans-101.7-29-169.9-65.4-86.2000114.3W69 V98W69-N73 HydrophobicContact CD2-CB 4.02Å; W69-N73 HydrophobicContact CE3-CB 4.07Å; W69-N73 HydrophobicContact CH2-CB 3.74Å; W69-N73 HydrophobicContact CZ2-CB 3.67Å; W69-N73 HydrophobicContact CZ3-CB 3.93Å; W69-N73 PolarHBondContact NE1-ND2 2.91Å; W69-N73 WeakPolarHBondContact O-CB 3.36Å; W69-N73 PolarHBondContact O-N 3.04Å; W69-N73 PolarHBondContact O-ND2 2.88Å; N73-V98 WeakPolarHBondContact O-CG2 3.48Å
74L98.8Very high98.5Very high6 Ų642.1 Ų42.13%0.03122%0.223CC..Hα-helixtrans-104.6-26.7-179.5-54.3-173.4000112.6Q47 W69 T70 P84 A85 W88Q47-L74 HydrophobicContact CG-CD1 3.89Å; W69-L74 HydrophobicContact CE3-CG 4.5Å; W69-L74 HydrophobicContact CH2-CD2 4.13Å; W69-L74 HydrophobicContact CH2-CG 4.47Å; W69-L74 HydrophobicContact CZ3-CD1 4.06Å; W69-L74 HydrophobicContact CZ3-CD2 3.87Å; W69-L74 HydrophobicContact CZ3-CG 3.74Å; T70-L74 HydrophobicContact CG2-CD1 4.31Å; T70-L74 WeakPolarHBondContact O-CA 3.3Å; T70-L74 WeakPolarHBondContact O-CB 3.36Å; T70-L74 PolarHBondContact O-N 3.2Å; L74-P84 HydrophobicContact CB-CB 3.7Å; L74-P84 HydrophobicContact CD1-CB 4.43Å; L74-P84 WeakPolarHBondContact O-CA 3.45Å; L74-A85 PolarHBondContact O-N 2.82Å; L74-W88 HydrophobicContact CD2-CB 3.47Å; L74-W88 VanDerWaalsContact CD2-CB 3.47Å; L74-W88 HydrophobicContact CD2-CG 4.06Å
75A98.6Very high98.5Very high7 Ų740.5 Ų40.56%0.05822%0.215CC..SBendtrans-119.921.5-175.400000113.9T70 Q71 G77 S78 L79T70-A75 PolarHBondContact O-N 2.85Å; Q71-A75 CarbonylContact O-C 3.5Å; Q71-A75 WeakPolarHBondContact O-CA 3.32Å; Q71-A75 PolarHBondContact O-N 3.47Å; A75-G77 PolarHBondContact O-N 3.3Å; A75-G77 VanDerWaalsContact O-N 3.09Å; A75-S78 PolarHBondContact O-N 3.35Å; A75-L79 HydrophobicContact CB-CD2 3.76Å; A75-L79 HydrophobicContact CB-CG 3.99Å
76Q97.7Very high98.5Very high188 Ų18841.8 Ų41.888%0.87922%0.215SC*.THydrogen-bonded Turntrans52.934.3175.2-55.4177.628.700113.9Q71Q71-Q76 PolarHBondContact O-N 2.99Å
77G98.1Very high98.5Very high31 Ų3142.1 Ų42.132%0.3222%0.217SC..THydrogen-bonded Turntrans106.2-22.6179.600000114.4Q71 A75Q71-G77 PolarHBondContact NE2-O 3.22Å; Q71-G77 CarbonylContact O-C 3.22Å; Q71-G77 WeakPolarHBondContact O-CA 3.32Å; Q71-G77 PolarHBondContact O-N 2.65Å; A75-G77 PolarHBondContact O-N 3.3Å; A75-G77 VanDerWaalsContact O-N 3.09Å
78S98.5Very high98.5Very high19 Ų1943 Ų4313%0.13322%0.22CC..  trans-152.8112.6-170.9-174.40000114.2A75 K80 E81 G82A75-S78 PolarHBondContact O-N 3.35Å; S78-K80 PolarHBondContact O-N 3.5Å; S78-K80 VanDerWaalsContact O-N 3.15Å; S78-K80 WeakPolarHBondContact OG-CB 3.45Å; S78-K80 PolarHBondContact OG-N 3.02Å; S78-E81 PolarHBondContact O-N 3.22Å; S78-G82 PolarHBondContact O-N 2.67Å
79L98.7Very high98.5Very high0 Ų039.9 Ų39.90%020%0.204CC..THydrogen-bonded Turntrans-63.3-15.4167.7-75.8167000113L67 T70 Q71 A75 P84 M111 L115 I130 L134L67-L79 HydrophobicContact CD1-CD1 3.85Å; T70-L79 HydrophobicContact CG2-CD1 4.25Å; T70-L79 HydrophobicContact CG2-CD2 4.49Å; Q71-L79 HydrophobicContact CG-CB 4.38Å; Q71-L79 HydrophobicContact CG-CD1 3.87Å; Q71-L79 HydrophobicContact CG-CG 3.94Å; A75-L79 HydrophobicContact CB-CD2 3.76Å; A75-L79 HydrophobicContact CB-CG 3.99Å; L79-P84 HydrophobicContact CD2-CB 4Å; L79-P84 HydrophobicContact CD2-CG 4Å; L79-M111 HydrophobicContact CD1-CG 4.43Å; L79-M111 HydrophobicContact CD1-SD 3.59Å; L79-M111 VanDerWaalsContact CD1-SD 3.59Å; L79-M111 HydrophobicContact CD2-SD 3.7Å; L79-M111 HydrophobicContact CG-SD 4.32Å; L79-L115 HydrophobicContact CD1-CD1 4.41Å; L79-I130 HydrophobicContact CB-CG2 3.82Å; L79-I130 HydrophobicContact CD1-CG2 4.24Å; L79-L134 HydrophobicContact CD2-CD1 4.39Å; L79-L134 HydrophobicContact CD2-CD2 4.47Å
80K98.4Very high98.4Very high90 Ų9042.9 Ų42.939%0.39122%0.217SC..THydrogen-bonded Turntrans-72.7-21.5171.6-60.8-172.5174.2178.90111.6S78 I130 A133 R137S78-K80 PolarHBondContact O-N 3.5Å; S78-K80 VanDerWaalsContact O-N 3.15Å; S78-K80 WeakPolarHBondContact OG-CB 3.45Å; S78-K80 PolarHBondContact OG-N 3.02Å; K80-I130 HydrophobicContact CG-CG1 4.45Å; K80-A133 HydrophobicContact CB-CB 4.09Å; K80-A133 HydrophobicContact CD-CB 4.46Å; K80-A133 HydrophobicContact CG-CB 3.81Å; K80-R137 PolarHBondContact O-NH2 3.25Å
81E97.6Very high98.3Very high145 Ų14546.3 Ų46.368%0.67823%0.232SC*.THydrogen-bonded Turntrans-103-25.6-171.5-69174.3-15700113.9S78 R137S78-E81 PolarHBondContact O-N 3.22Å; E81-R137 VanDerWaalsContact C-CZ 3.4Å; E81-R137 VanDerWaalsContact C-NH2 3.31Å; E81-R137 PolarHBondContact O-NH1 3.44Å; E81-R137 PolarHBondContact O-NH2 2.99Å
82G96Very high98.2Very high21 Ų2154.9 Ų54.922%0.21627%0.272CS..SBendtrans-154.9158.2176.500000113.4S78S78-G82 PolarHBondContact O-N 2.67Å
83L98.7Very high98Very high13 Ų1354.6 Ų54.67%0.06827%0.271CS..PPolyproline II helixtrans-67.1141.1165.6-61.7-178.6000109.2L134 R137 I138 E141 E142 K157L83-L134 HydrophobicContact CD2-CD1 3.69Å; L83-R137 HydrophobicContact CD2-CB 4.04Å; L83-R137 HydrophobicContact CD2-CG 3.79Å; L83-R137 HydrophobicContact CG-CG 4.01Å; L83-I138 HydrophobicContact CD2-CG1 3.83Å; L83-E141 HydrophobicContact CD1-CB 3.99Å; L83-E142 HydrophobicContact CD1-CG 4.12Å; L83-K157 HydrophobicContact CD1-CB 4.45Å
84P98.8Very high97.9Very high0 Ų055.7 Ų55.70%028%0.283CS..PPolyproline II helixtrans-65.5138.8-179.128.8-33.8000110.9L74 L79 W86 D108 M111L74-P84 HydrophobicContact CB-CB 3.7Å; L74-P84 HydrophobicContact CD1-CB 4.43Å; L74-P84 WeakPolarHBondContact O-CA 3.45Å; L79-P84 HydrophobicContact CD2-CB 4Å; L79-P84 HydrophobicContact CD2-CG 4Å; P84-W86 PolarHBondContact O-N 2.97Å; P84-D108 WeakPolarHBondContact CD-OD1 3.32Å; P84-D108 WeakPolarHBondContact CG-OD1 3.43Å; P84-M111 HydrophobicContact CG-CE 4.13Å; P84-M111 HydrophobicContact CG-SD 4.18Å
85A98.8Very high97.8Very high5 Ų561.3 Ų61.34%0.04131%0.307CS..PPolyproline II helixtrans-56.7132.7168.100000110.3L74 L87 V98 D100L74-A85 PolarHBondContact O-N 2.82Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 3.47Å; A85-V98 HydrophobicContact CB-CB 4.47Å; A85-V98 HydrophobicContact CB-CG1 3.63Å; A85-V98 HydrophobicContact CB-CG2 3.95Å; A85-D100 WeakPolarHBondContact CB-O 3.49Å
86W98.8Very high97.8Very high88 Ų8866.1 Ų66.133%0.33332%0.323SS..SBendtrans-75.7-21.8-17484.3-88.3000113.6T43 S44 P84 D100 N102 A104T43-W86 WeakPolarHBondContact CA-O 3.16Å; T43-W86 VanDerWaalsContact CB-O 3.29Å; T43-W86 WeakPolarHBondContact CB-O 3.41Å; T43-W86 HydrophobicContact CG2-CE3 4.36Å; T43-W86 HydrophobicContact CG2-CZ3 4.41Å; S44-W86 PolarHBondContact N-O 3.36Å; S44-W86 WeakPolarHBondContact OG-CA 3.45Å; P84-W86 PolarHBondContact O-N 2.97Å; W86-D100 VanDerWaalsContact NE1-CB 3.34Å; W86-D100 PolarHBondContact NE1-OD2 3.46Å; W86-N102 VanDerWaalsContact CD1-O 3.32Å; W86-N102 PolarHBondContact N-O 3.13Å; W86-A104 HydrophobicContact CB-CB 3.62Å; W86-A104 HydrophobicContact CG-CB 4.39Å
87L98.8Very high97.8Very high9 Ų960.4 Ų60.45%0.04730%0.297CS..EExtended strand (participates in β ladder)trans-137.3123-175.1-168.567.8000112.9I41 T43 A85 L99 D100I41-L87 HydrophobicContact CB-CD1 3.82Å; I41-L87 HydrophobicContact CD1-CD1 3.69Å; I41-L87 HydrophobicContact CG1-CD1 4.29Å; I41-L87 HydrophobicContact CG2-CD1 3.93Å; T43-L87 HydrophobicContact CG2-CD1 3.98Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 3.47Å; L87-L99 HydrophobicContact CB-CB 4.43Å; L87-L99 HydrophobicContact CD2-CB 3.92Å; L87-L99 HydrophobicContact CD2-CD1 4.2Å; L87-L99 HydrophobicContact CG-CB 3.97Å; L87-L99 HydrophobicContact CG-CD1 4.16Å; L87-L99 PolarHBondContact O-N 3.16Å; L87-D100 HydrophobicContact CB-CB 4.15Å; L87-D100 PolarHBondContact O-N 3.4Å
88W98.8Very high97.9Very high17 Ų1761.1 Ų61.16%0.06430%0.295CS..EExtended strand (participates in β ladder)trans-131.9146175.8-175.7110.9000109.6I41 T42 W69 L74 W96I41-W88 CarbonylContact C-O 3.56Å; I41-W88 VanDerWaalsContact CA-O 3.28Å; I41-W88 WeakPolarHBondContact CA-O 3.4Å; T42-W88 PolarHBondContact N-O 3.06Å; T42-W88 PolarHBondContact O-N 2.86Å; W69-W88 HydrophobicContact CH2-CB 4.24Å; W69-W88 AromaticContact CH2-CD2 3.72Å; W69-W88 HydrophobicContact CH2-CD2 3.72Å; W69-W88 AromaticContact CH2-CE3 3.85Å; W69-W88 HydrophobicContact CH2-CE3 3.85Å; W69-W88 AromaticContact CH2-CG 3.9Å; W69-W88 HydrophobicContact CH2-CG 3.9Å; W69-W88 HydrophobicContact CH2-CZ3 4.46Å; W69-W88 AromaticContact CZ2-CD2 3.85Å; W69-W88 HydrophobicContact CZ2-CD2 3.85Å; W69-W88 AromaticContact CZ2-CE2 3.95Å; W69-W88 AromaticContact CZ2-CE3 3.86Å; W69-W88 HydrophobicContact CZ2-CE3 3.86Å; W69-W88 HydrophobicContact CZ2-CG 4.43Å; W69-W88 HydrophobicContact CZ2-CH2 4.11Å; W69-W88 HydrophobicContact CZ2-CZ2 4.09Å; W69-W88 HydrophobicContact CZ2-CZ3 4.03Å; L74-W88 HydrophobicContact CD2-CB 3.47Å; L74-W88 VanDerWaalsContact CD2-CB 3.47Å; L74-W88 HydrophobicContact CD2-CG 4.06Å; W88-W96 HydrophobicContact CE3-CE3 4.4Å; W88-W96 HydrophobicContact CH2-CB 3.5Å; W88-W96 HydrophobicContact CH2-CD2 4.05Å; W88-W96 AromaticContact CH2-CE3 3.59Å; W88-W96 HydrophobicContact CH2-CE3 3.59Å; W88-W96 HydrophobicContact CH2-CG 4.09Å; W88-W96 HydrophobicContact CZ2-CB 3.64Å; W88-W96 HydrophobicContact CZ3-CB 4.39Å; W88-W96 HydrophobicContact CZ3-CD2 4.31Å; W88-W96 AromaticContact CZ3-CE3 3.4Å; W88-W96 HydrophobicContact CZ3-CE3 3.4Å; W88-W96 HydrophobicContact CZ3-CZ3 4.05Å
89G98.6Very high97.9Very high0 Ų062.3 Ų62.30%030%0.299CS..EExtended strand (participates in β ladder)trans172.8-166.7-179.600000113.8W96 E97G89-W96 WeakPolarHBondContact O-CA 3.33Å; G89-E97 PolarHBondContact N-O 3.48Å; G89-E97 PolarHBondContact O-N 3.16Å; G89-E97 VanDerWaalsContact O-N 3.13Å
90K98.3Very high97.8Very high81 Ų8165.3 Ų65.335%0.35232%0.315SS..EExtended strand (participates in β ladder)trans-79.8125.6179.6-165.2176.8-179.2-178.30111.3R39 K95 W96R39-K90 WeakPolarHBondContact CG-O 3.36Å; R39-K90 PolarHBondContact O-N 3.06Å; K90-K95 WeakPolarHBondContact CA-O 3.44Å; K90-W96 HydrophobicContact CB-CD2 3.96Å; K90-W96 HydrophobicContact CB-CE3 3.81Å; K90-W96 HydrophobicContact CB-CH2 3.9Å; K90-W96 HydrophobicContact CB-CZ2 4.02Å; K90-W96 HydrophobicContact CB-CZ3 3.77Å; K90-W96 HydrophobicContact CD-CH2 4.43Å; K90-W96 HydrophobicContact CD-CZ2 3.91Å; K90-W96 HydrophobicContact CG-CD2 4.28Å; K90-W96 HydrophobicContact CG-CZ2 4.21Å
91K96.9Very high97.8Very high73 Ų7364.8 Ų64.832%0.31732%0.323SS..  trans-83.6165.1169.1-71.6-168.8177.4175.90111.6N93 S94 K95 E97 V98 L99K91-N93 WeakPolarHBondContact CB-OD1 3.4Å; K91-N93 PolarHBondContact O-N 3.42Å; K91-S94 WeakPolarHBondContact O-CA 3.45Å; K91-S94 PolarHBondContact O-N 2.62Å; K91-K95 PolarHBondContact N-O 2.96Å; K91-E97 HydrophobicContact CD-CG 3.64Å; K91-E97 WeakPolarHBondContact CD-OE1 3.39Å; K91-E97 VanDerWaalsContact CE-CG 3.43Å; K91-E97 WeakPolarHBondContact CE-OE1 3.47Å; K91-E97 HydrophobicContact CG-CG 4.16Å; K91-E97 IonicContact NZ-OE1 3.4Å; K91-E97 PolarHBondContact NZ-OE1 3Å; K91-V98 VanDerWaalsContact CE-O 3.31Å; K91-V98 WeakPolarHBondContact CE-O 3.28Å; K91-V98 PolarHBondContact NZ-O 2.93Å; K91-L99 HydrophobicContact CD-CD2 4.23Å; K91-L99 HydrophobicContact CG-CD2 3.38Å
92E95.3Very high97.9Very high203 Ų20359.1 Ų59.195%0.94930%0.297SS*.THydrogen-bonded Turntrans-58.2-33.5178.1-64.8-176.3169.600112.9S94E92-S94 PolarHBondContact O-N 2.89Å
93N96.2Very high98Very high98 Ų9858.3 Ų58.352%0.52429%0.288SS..THydrogen-bonded Turntrans-74.512.6175.269.33.8000114.1K91 K95K91-N93 WeakPolarHBondContact CB-OD1 3.4Å; K91-N93 PolarHBondContact O-N 3.42Å; N93-K95 PolarHBondContact O-N 3.23Å; N93-K95 VanDerWaalsContact O-N 3.15Å; N93-K95 VanDerWaalsContact OD1-CB 3.3Å; N93-K95 WeakPolarHBondContact OD1-CB 3.36Å; N93-K95 PolarHBondContact OD1-N 3Å
94S95.1Very high98Very high76 Ų7658.2 Ų58.253%0.53129%0.29SS..SBendtrans63.37.5-177.2-63.70000116.6K91 E92K91-S94 WeakPolarHBondContact O-CA 3.45Å; K91-S94 PolarHBondContact O-N 2.62Å; E92-S94 PolarHBondContact O-N 2.89Å
95K97.5Very high98Very high124 Ų12458.2 Ų58.254%0.53929%0.29SS..  trans-78.1151.1169-63.6-172.5176.5-1750111.1K90 K91 N93K90-K95 WeakPolarHBondContact CA-O 3.44Å; K91-K95 PolarHBondContact N-O 2.96Å; N93-K95 PolarHBondContact O-N 3.23Å; N93-K95 VanDerWaalsContact O-N 3.15Å; N93-K95 VanDerWaalsContact OD1-CB 3.3Å; N93-K95 WeakPolarHBondContact OD1-CB 3.36Å; N93-K95 PolarHBondContact OD1-N 3Å
96W98.3Very high98Very high107 Ų10758.1 Ų58.141%0.40529%0.288SS..EExtended strand (participates in β ladder)trans-110.6111.5176.7-69.992.4000108.9R31 R39 K40 W88 G89 K90R31-W96 VanDerWaalsContact NH1-CZ3 3.34Å; R39-W96 WeakPolarHBondContact O-CZ3 3.31Å; K40-W96 HydrophobicContact CB-CH2 3.9Å; K40-W96 HydrophobicContact CB-CZ3 4.13Å; K40-W96 HydrophobicContact CG-CH2 4.39Å; W88-W96 HydrophobicContact CE3-CE3 4.4Å; W88-W96 HydrophobicContact CH2-CB 3.5Å; W88-W96 HydrophobicContact CH2-CD2 4.05Å; W88-W96 AromaticContact CH2-CE3 3.59Å; W88-W96 HydrophobicContact CH2-CE3 3.59Å; W88-W96 HydrophobicContact CH2-CG 4.09Å; W88-W96 HydrophobicContact CZ2-CB 3.64Å; W88-W96 HydrophobicContact CZ3-CB 4.39Å; W88-W96 HydrophobicContact CZ3-CD2 4.31Å; W88-W96 AromaticContact CZ3-CE3 3.4Å; W88-W96 HydrophobicContact CZ3-CE3 3.4Å; W88-W96 HydrophobicContact CZ3-CZ3 4.05Å; G89-W96 WeakPolarHBondContact O-CA 3.33Å; K90-W96 HydrophobicContact CB-CD2 3.96Å; K90-W96 HydrophobicContact CB-CE3 3.81Å; K90-W96 HydrophobicContact CB-CH2 3.9Å; K90-W96 HydrophobicContact CB-CZ2 4.02Å; K90-W96 HydrophobicContact CB-CZ3 3.77Å; K90-W96 HydrophobicContact CD-CH2 4.43Å; K90-W96 HydrophobicContact CD-CZ2 3.91Å; K90-W96 HydrophobicContact CG-CD2 4.28Å; K90-W96 HydrophobicContact CG-CZ2 4.21Å
97E98.3Very high98Very high69 Ų6953.9 Ų53.932%0.32227%0.272SS..EExtended strand (participates in β ladder)trans-159.4178.7-174.261.5-168.8-14200111G89 K91 L99G89-E97 PolarHBondContact N-O 3.48Å; G89-E97 PolarHBondContact O-N 3.16Å; G89-E97 VanDerWaalsContact O-N 3.13Å; K91-E97 HydrophobicContact CD-CG 3.64Å; K91-E97 WeakPolarHBondContact CD-OE1 3.39Å; K91-E97 VanDerWaalsContact CE-CG 3.43Å; K91-E97 WeakPolarHBondContact CE-OE1 3.47Å; K91-E97 HydrophobicContact CG-CG 4.16Å; K91-E97 IonicContact NZ-OE1 3.4Å; K91-E97 PolarHBondContact NZ-OE1 3Å; E97-L99 PolarHBondContact O-N 3.48Å
98V98.5Very high98Very high45 Ų4553.5 Ų53.527%0.27327%0.27SS..EExtended strand (participates in β ladder)trans-58.6127.7173174.40000109.8N73 A85 K91 D100N73-V98 WeakPolarHBondContact O-CG2 3.48Å; A85-V98 HydrophobicContact CB-CB 4.47Å; A85-V98 HydrophobicContact CB-CG1 3.63Å; A85-V98 HydrophobicContact CB-CG2 3.95Å; K91-V98 VanDerWaalsContact CE-O 3.31Å; K91-V98 WeakPolarHBondContact CE-O 3.28Å; K91-V98 PolarHBondContact NZ-O 2.93Å; V98-D100 WeakPolarHBondContact CG1-O 3.3Å
99L98.5Very high98Very high45 Ų4552.7 Ų52.724%0.23627%0.267CS..EExtended strand (participates in β ladder)trans-95.3-34.6177.6-58.2-176.6000111.4R39 I41 L87 K91 E97R39-L99 HydrophobicContact CB-CD1 4.5Å; I41-L99 HydrophobicContact CG2-CD1 4.26Å; L87-L99 HydrophobicContact CB-CB 4.43Å; L87-L99 HydrophobicContact CD2-CB 3.92Å; L87-L99 HydrophobicContact CD2-CD1 4.2Å; L87-L99 HydrophobicContact CG-CB 3.97Å; L87-L99 HydrophobicContact CG-CD1 4.16Å; L87-L99 PolarHBondContact O-N 3.16Å; K91-L99 HydrophobicContact CD-CD2 4.23Å; K91-L99 HydrophobicContact CG-CD2 3.38Å; E97-L99 PolarHBondContact O-N 3.48Å
100D98.4Very high98Very high63 Ų6352.7 Ų52.734%0.33727%0.267SS..EExtended strand (participates in β ladder)trans-143.7124.5171.7-174.2-13000109.5A85 W86 L87 V98 N102A85-D100 WeakPolarHBondContact CB-O 3.49Å; W86-D100 VanDerWaalsContact NE1-CB 3.34Å; W86-D100 PolarHBondContact NE1-OD2 3.46Å; L87-D100 HydrophobicContact CB-CB 4.15Å; L87-D100 PolarHBondContact O-N 3.4Å; V98-D100 WeakPolarHBondContact CG1-O 3.3Å; D100-N102 WeakPolarHBondContact OD1-CB 3.21Å; D100-N102 PolarHBondContact OD1-N 3.12Å
101S98.4Very high98.1Very high78 Ų7848.9 Ų48.955%0.54525%0.25SS..  trans-91.24.9-176.263.60000114.2K157S101-K157 WeakPolarHBondContact O-CE 3.4Å; S101-K157 PolarHBondContact O-NZ 3.37Å
102N98.5Very high98.2Very high26 Ų2645.4 Ų45.414%0.13924%0.235CC..  trans-67158.5168.4-157.414.3000111W86 D100 K157 V158W86-N102 VanDerWaalsContact CD1-O 3.32Å; W86-N102 PolarHBondContact N-O 3.13Å; D100-N102 WeakPolarHBondContact OD1-CB 3.21Å; D100-N102 PolarHBondContact OD1-N 3.12Å; N102-K157 WeakPolarHBondContact OD1-CG 3.35Å; N102-V158 PolarHBondContact ND2-O 3.45Å; N102-V158 PolarHBondContact OD1-N 2.91Å; N102-V158 VanDerWaalsContact OD1-N 3.1Å
103S98.8Very high98.3Very high4 Ų435.7 Ų35.73%0.02819%0.19CC..  trans-86.9161.9171630000111.2D108 E142 G156 K157S103-D108 VanDerWaalsContact CB-OD2 3.29Å; S103-D108 WeakPolarHBondContact CB-OD2 3.49Å; S103-E142 PolarHBondContact OG-OE2 3.34Å; S103-G156 WeakPolarHBondContact O-CA 3.32Å; S103-K157 PolarHBondContact OG-N 3.38Å
104A98.7Very high98.5Very high12 Ų1231 Ų3110%0.09917%0.165CC..  trans-125.6110.4163.400000107.4W86 D106 G107 D108 P155W86-A104 HydrophobicContact CB-CB 3.62Å; W86-A104 HydrophobicContact CG-CB 4.39Å; A104-D106 VanDerWaalsContact C-N 3.25Å; A104-D106 PolarHBondContact O-N 2.98Å; A104-G107 PolarHBondContact O-N 2.74Å; A104-D108 PolarHBondContact O-N 3.33Å; A104-D108 VanDerWaalsContact O-N 3.13Å; A104-P155 WeakPolarHBondContact CA-O 3.38Å
105S98.8Very high98.7Very high0 Ų027.4 Ų27.40%014%0.14CC..Hα-helixtrans-68.6-21.8-164.759.90000114.1D108 V109 E142 L154 P155 Y172S105-D108 PolarHBondContact O-N 2.93Å; S105-V109 WeakPolarHBondContact O-CG1 3.48Å; S105-V109 VanDerWaalsContact O-CG2 3.32Å; S105-V109 WeakPolarHBondContact O-CG2 3.3Å; S105-V109 PolarHBondContact O-N 3.48Å; S105-E142 WeakPolarHBondContact CA-OE1 3.41Å; S105-E142 WeakPolarHBondContact CB-OE1 3.3Å; S105-E142 WeakPolarHBondContact CB-OE2 3.48Å; S105-L154 WeakPolarHBondContact CB-O 3.2Å; S105-L154 PolarHBondContact OG-O 3.16Å; S105-P155 PolarHBondContact N-O 2.8Å; S105-P155 WeakPolarHBondContact OG-CA 3.45Å; S105-P155 PolarHBondContact OG-O 3.29Å; S105-Y172 WeakPolarHBondContact OG-CD2 3.39Å
106D98.8Very high98.7Very high2 Ų221.9 Ų21.91%0.01112%0.116CC..Hα-helixtrans-65.9-44.617164.5-38.2000111.8A104 D108 V109 W110 Y172 R236A104-D106 VanDerWaalsContact C-N 3.25Å; A104-D106 PolarHBondContact O-N 2.98Å; D106-D108 VanDerWaalsContact C-N 3.29Å; D106-D108 PolarHBondContact O-N 3.42Å; D106-V109 WeakPolarHBondContact O-CG2 3.33Å; D106-W110 VanDerWaalsContact O-CD1 3.24Å; D106-W110 PolarHBondContact O-N 3.03Å; D106-W110 VanDerWaalsContact O-N 3.16Å; D106-Y172 HydrophobicContact CB-CD1 3.73Å; D106-Y172 HydrophobicContact CB-CD2 3.82Å; D106-Y172 HydrophobicContact CB-CE1 4.18Å; D106-Y172 HydrophobicContact CB-CE2 4.23Å; D106-Y172 HydrophobicContact CB-CG 3.56Å; D106-R236 IonicContact OD2-CZ 3.28Å; D106-R236 IonicContact OD2-NH1 3.44Å; D106-R236 PolarHBondContact OD2-NH1 3.07Å; D106-R236 IonicContact OD2-NH2 3.53Å
107G98.7Very high98.8Very high0 Ų016.8 Ų16.80%010%0.097CC..Hα-helixtrans-55.6-47.5169.200000111.3S48 A104 W110 M111S48-G107 WeakPolarHBondContact CB-O 3.43Å; S48-G107 PolarHBondContact OG-O 2.93Å; A104-G107 PolarHBondContact O-N 2.74Å; G107-W110 PolarHBondContact O-N 3.22Å; G107-M111 VanDerWaalsContact O-CB 3.27Å; G107-M111 WeakPolarHBondContact O-CB 3.29Å; G107-M111 PolarHBondContact O-N 2.94Å
108D98.9Very high98.8Very high0 Ų013.5 Ų13.50%08%0.082CC..Hα-helixtrans-65.7-44.5-175-61.8-3.9000112.3P84 S103 A104 S105 D106 M111 A112 I138P84-D108 WeakPolarHBondContact CD-OD1 3.32Å; P84-D108 WeakPolarHBondContact CG-OD1 3.43Å; S103-D108 VanDerWaalsContact CB-OD2 3.29Å; S103-D108 WeakPolarHBondContact CB-OD2 3.49Å; A104-D108 PolarHBondContact O-N 3.33Å; A104-D108 VanDerWaalsContact O-N 3.13Å; S105-D108 PolarHBondContact O-N 2.93Å; D106-D108 VanDerWaalsContact C-N 3.29Å; D106-D108 PolarHBondContact O-N 3.42Å; D108-M111 PolarHBondContact O-N 3.1Å; D108-A112 WeakPolarHBondContact O-CB 3.36Å; D108-A112 PolarHBondContact O-N 3.38Å; D108-I138 HydrophobicContact CB-CD1 3.67Å; D108-I138 HydrophobicContact CB-CG1 3.88Å; D108-I138 WeakPolarHBondContact O-CD1 3.29Å
109V98.9Very high98.8Very high0 Ų011.6 Ų11.60%07%0.071CC..Hα-helixtrans-69.8-38.3179.6-63.80000112.4S105 D106 M111 W113 I138 L153 Y172 L173 L177 F181S105-V109 WeakPolarHBondContact O-CG1 3.48Å; S105-V109 VanDerWaalsContact O-CG2 3.32Å; S105-V109 WeakPolarHBondContact O-CG2 3.3Å; S105-V109 PolarHBondContact O-N 3.48Å; D106-V109 WeakPolarHBondContact O-CG2 3.33Å; V109-M111 VanDerWaalsContact C-N 3.3Å; V109-M111 PolarHBondContact O-N 3.06Å; V109-W113 VanDerWaalsContact O-CB 3.3Å; V109-W113 WeakPolarHBondContact O-CB 3.45Å; V109-W113 PolarHBondContact O-N 2.99Å; V109-I138 HydrophobicContact CG1-CD1 4.15Å; V109-I138 HydrophobicContact CG1-CG2 4.29Å; V109-L153 HydrophobicContact CG1-CD2 3.97Å; V109-Y172 WeakPolarHBondContact CG2-O 3.21Å; V109-L173 HydrophobicContact CB-CD1 4.45Å; V109-L173 HydrophobicContact CG1-CD1 4.38Å; V109-L173 HydrophobicContact CG2-CD1 4.29Å; V109-L177 HydrophobicContact CB-CD2 4.48Å; V109-L177 HydrophobicContact CG2-CD2 4.18Å; V109-F181 HydrophobicContact CB-CE2 4.03Å; V109-F181 HydrophobicContact CB-CZ 4.42Å; V109-F181 HydrophobicContact CG1-CE2 4.39Å; V109-F181 WeakPolarHBondContact O-CZ 3.41Å
110W98.9Very high98.8Very high1 Ų113.9 Ų13.90%0.0048%0.076CC..Hα-helixtrans-64.9-36.5173.9-87105.3000111.9S48 Y49 F52 D106 G107 S114 P174 L177 W240 F329 F340S48-W110 WeakPolarHBondContact OG-CB 3.23Å; Y49-W110 HydrophobicContact CD1-CD2 4.5Å; Y49-W110 HydrophobicContact CD1-CG 4.24Å; Y49-W110 HydrophobicContact CE1-CB 4.49Å; Y49-W110 AromaticContact CE1-CD1 3.61Å; Y49-W110 HydrophobicContact CE1-CD2 4.27Å; Y49-W110 AromaticContact CE1-CG 3.89Å; Y49-W110 HydrophobicContact CE1-CG 3.89Å; Y49-W110 AromaticContact CE1-NE1 3.79Å; F52-W110 HydrophobicContact CB-CE3 4.3Å; F52-W110 HydrophobicContact CD2-CE3 4.06Å; F52-W110 AromaticContact CD2-CZ3 3.52Å; F52-W110 HydrophobicContact CD2-CZ3 3.52Å; F52-W110 AromaticContact CE2-CZ3 3.82Å; F52-W110 HydrophobicContact CE2-CZ3 3.82Å; F52-W110 HydrophobicContact CG-CE3 4.2Å; F52-W110 AromaticContact CG-CZ3 3.92Å; F52-W110 HydrophobicContact CG-CZ3 3.92Å; F52-W110 HydrophobicContact CZ-CZ3 4.45Å; D106-W110 VanDerWaalsContact O-CD1 3.24Å; D106-W110 PolarHBondContact O-N 3.03Å; D106-W110 VanDerWaalsContact O-N 3.16Å; G107-W110 PolarHBondContact O-N 3.22Å; W110-S114 VanDerWaalsContact O-CB 3.28Å; W110-S114 WeakPolarHBondContact O-CB 3.38Å; W110-S114 PolarHBondContact O-N 2.93Å; W110-S114 PolarHBondContact O-OG 2.9Å; W110-P174 HydrophobicContact CZ2-CB 4.32Å; W110-P174 HydrophobicContact CZ2-CG 3.5Å; W110-L177 HydrophobicContact CD2-CD2 3.8Å; W110-L177 HydrophobicContact CE3-CD1 4.32Å; W110-L177 HydrophobicContact CE3-CD2 4.07Å; W110-L177 HydrophobicContact CG-CD2 4.05Å; W110-L177 HydrophobicContact CH2-CD1 4.06Å; W110-L177 HydrophobicContact CZ2-CD1 4.42Å; W110-L177 HydrophobicContact CZ3-CD1 3.99Å; W110-W240 HydrophobicContact CH2-CH2 4.17Å; W110-W240 AromaticContact CH2-CZ3 3.99Å; W110-W240 HydrophobicContact CH2-CZ3 3.99Å; W110-W240 HydrophobicContact CZ2-CD2 4.41Å; W110-W240 HydrophobicContact CZ2-CE3 4.05Å; W110-W240 AromaticContact CZ2-CH2 3.37Å; W110-W240 HydrophobicContact CZ2-CH2 3.37Å; W110-W240 AromaticContact CZ2-CZ2 3.76Å; W110-W240 HydrophobicContact CZ2-CZ2 3.76Å; W110-W240 AromaticContact CZ2-CZ3 3.52Å; W110-W240 HydrophobicContact CZ2-CZ3 3.52Å; W110-W240 AromaticContact NE1-CZ2 3.95Å; W110-F329 AromaticContact CH2-CE1 3.71Å; W110-F329 HydrophobicContact CH2-CE1 3.71Å; W110-F329 HydrophobicContact CH2-CZ 4.24Å; W110-F329 HydrophobicContact CZ2-CE1 4.06Å; W110-F329 HydrophobicContact CZ2-CZ 4.26Å; W110-F329 HydrophobicContact CZ3-CE1 4.07Å; W110-F329 HydrophobicContact CZ3-CZ 4.44Å; W110-F340 HydrophobicContact CH2-CZ 4.15Å
111M98.9Very high98.8Very high0 Ų012.7 Ų12.70%07%0.07CC..Hα-helixtrans-68.9-47.3177.6-169.9175.6-59.700111.3Q47 M51 T70 L79 P84 G107 D108 V109 W113 S114 L115 L134Q47-M111 HydrophobicContact CB-CE 4.21Å; M51-M111 HydrophobicContact CE-CG 4.22Å; M51-M111 HydrophobicContact SD-CG 3.81Å; T70-M111 HydrophobicContact CG2-CE 3.5Å; T70-M111 HydrophobicContact CG2-SD 3.71Å; L79-M111 HydrophobicContact CD1-CG 4.43Å; L79-M111 HydrophobicContact CD1-SD 3.59Å; L79-M111 VanDerWaalsContact CD1-SD 3.59Å; L79-M111 HydrophobicContact CD2-SD 3.7Å; L79-M111 HydrophobicContact CG-SD 4.32Å; P84-M111 HydrophobicContact CG-CE 4.13Å; P84-M111 HydrophobicContact CG-SD 4.18Å; G107-M111 VanDerWaalsContact O-CB 3.27Å; G107-M111 WeakPolarHBondContact O-CB 3.29Å; G107-M111 PolarHBondContact O-N 2.94Å; D108-M111 PolarHBondContact O-N 3.1Å; V109-M111 VanDerWaalsContact C-N 3.3Å; V109-M111 PolarHBondContact O-N 3.06Å; M111-W113 PolarHBondContact O-N 2.87Å; M111-S114 PolarHBondContact O-N 3.49Å; M111-L115 HydrophobicContact CG-CD1 4.19Å; M111-L115 WeakPolarHBondContact O-CB 3.39Å; M111-L115 WeakPolarHBondContact O-CG 3.28Å; M111-L115 PolarHBondContact O-N 2.89Å; M111-L134 HydrophobicContact CB-CD2 4.02Å; M111-L134 HydrophobicContact CG-CD2 3.87Å; M111-L134 HydrophobicContact SD-CD2 4.08Å
112A98.9Very high98.8Very high0 Ų010.6 Ų10.60%05%0.05CC..Hα-helixtrans-60.1-45.2175.800000111.6D108 L116 L134 L135 I138 F181D108-A112 WeakPolarHBondContact O-CB 3.36Å; D108-A112 PolarHBondContact O-N 3.38Å; A112-L116 WeakPolarHBondContact O-CB 3.43Å; A112-L116 WeakPolarHBondContact O-CD1 3.36Å; A112-L116 WeakPolarHBondContact O-CG 3.44Å; A112-L116 PolarHBondContact O-N 3.39Å; A112-L134 HydrophobicContact CB-CD2 4.05Å; A112-L134 HydrophobicContact CB-CG 4.16Å; A112-L135 HydrophobicContact CB-CB 4.22Å; A112-L135 HydrophobicContact CB-CD1 4.16Å; A112-I138 HydrophobicContact CB-CD1 4.04Å; A112-F181 HydrophobicContact CB-CZ 4.48Å
113W98.9Very high98.8Very high0 Ų018.2 Ų18.20%08%0.082CC..Hα-helixtrans-60.9-47.7176.4-174.593.3000111.7F52 L55 V109 M111 L115 L116 E117 L177 Y180 F181 F340 G344 L346F52-W113 HydrophobicContact CD2-CE3 4.27Å; F52-W113 HydrophobicContact CD2-CH2 4.28Å; F52-W113 AromaticContact CD2-CZ3 3.59Å; F52-W113 HydrophobicContact CD2-CZ3 3.59Å; F52-W113 HydrophobicContact CE2-CH2 4.03Å; F52-W113 AromaticContact CE2-CZ3 3.81Å; F52-W113 HydrophobicContact CE2-CZ3 3.81Å; L55-W113 HydrophobicContact CD2-CZ3 4.45Å; V109-W113 VanDerWaalsContact O-CB 3.3Å; V109-W113 WeakPolarHBondContact O-CB 3.45Å; V109-W113 PolarHBondContact O-N 2.99Å; M111-W113 PolarHBondContact O-N 2.87Å; W113-L115 VanDerWaalsContact C-N 3.35Å; W113-L115 PolarHBondContact O-N 3.22Å; W113-L116 PolarHBondContact O-N 3.15Å; W113-E117 HydrophobicContact CD2-CG 3.96Å; W113-E117 HydrophobicContact CE3-CB 4.4Å; W113-E117 HydrophobicContact CE3-CG 4.21Å; W113-E117 HydrophobicContact CH2-CB 4.43Å; W113-E117 HydrophobicContact CH2-CG 4.05Å; W113-E117 HydrophobicContact CZ2-CG 3.75Å; W113-E117 HydrophobicContact CZ3-CB 4.27Å; W113-E117 HydrophobicContact CZ3-CG 4.21Å; W113-E117 WeakPolarHBondContact O-CB 3.41Å; W113-E117 PolarHBondContact O-N 3.3Å; W113-L177 HydrophobicContact CB-CD1 4.38Å; W113-L177 HydrophobicContact CB-CD2 3.97Å; W113-L177 HydrophobicContact CB-CG 3.85Å; W113-L177 HydrophobicContact CD2-CD1 3.94Å; W113-L177 HydrophobicContact CD2-CG 4.36Å; W113-L177 HydrophobicContact CG-CD1 3.74Å; W113-L177 HydrophobicContact CG-CD2 4.23Å; W113-L177 HydrophobicContact CG-CG 3.64Å; W113-Y180 AromaticContact CD1-CD1 3.42Å; W113-Y180 VanDerWaalsContact CD1-CD1 3.42Å; W113-Y180 AromaticContact CD1-CE1 4Å; W113-Y180 AromaticContact CD1-CG 3.52Å; W113-Y180 HydrophobicContact CG-CD1 4.44Å; W113-Y180 AromaticContact NE1-CD1 3.85Å; W113-Y180 AromaticContact NE1-CD2 3.76Å; W113-Y180 AromaticContact NE1-CG 3.48Å; W113-F181 HydrophobicContact CB-CE1 4.13Å; W113-F181 HydrophobicContact CB-CZ 3.77Å; W113-F340 HydrophobicContact CH2-CD1 4.29Å; W113-F340 AromaticContact CH2-CE1 3.66Å; W113-F340 HydrophobicContact CH2-CE1 3.66Å; W113-F340 AromaticContact CZ2-CD1 3.84Å; W113-F340 HydrophobicContact CZ2-CD1 3.84Å; W113-F340 AromaticContact CZ2-CE1 3.52Å; W113-F340 HydrophobicContact CZ2-CE1 3.52Å; W113-G344 PolarHBondContact NE1-O 3.11Å; W113-L346 HydrophobicContact CH2-CB 3.53Å; W113-L346 HydrophobicContact CH2-CD1 4.08Å; W113-L346 HydrophobicContact CH2-CD2 4.31Å; W113-L346 HydrophobicContact CH2-CG 4.16Å; W113-L346 HydrophobicContact CZ2-CB 4.02Å; W113-L346 HydrophobicContact CZ3-CB 4.45Å
114S98.9Very high98.8Very high0 Ų020.8 Ų20.80%09%0.093CC..Hα-helixtrans-64.3-39.2-177.5-59.40000111.9W110 M111 A118W110-S114 VanDerWaalsContact O-CB 3.28Å; W110-S114 WeakPolarHBondContact O-CB 3.38Å; W110-S114 PolarHBondContact O-N 2.93Å; W110-S114 PolarHBondContact O-OG 2.9Å; M111-S114 PolarHBondContact O-N 3.49Å; S114-A118 WeakPolarHBondContact O-CB 3.4Å; S114-A118 PolarHBondContact O-N 2.69Å
115L99Very high98.8Very high0 Ų025.7 Ų25.70%011%0.114CC..Hα-helixtrans-64.6-44.4174.3-78.4163.5000112.8M51 F63 L67 L79 M111 W113 G119 Y127 I130 L134M51-L115 HydrophobicContact CE-CD1 4.25Å; M51-L115 HydrophobicContact CE-CD2 3.8Å; M51-L115 HydrophobicContact CE-CG 3.67Å; F63-L115 HydrophobicContact CE1-CD2 4.14Å; F63-L115 HydrophobicContact CZ-CD2 4.18Å; L67-L115 HydrophobicContact CD1-CD2 3.95Å; L67-L115 HydrophobicContact CD2-CD2 3.87Å; L79-L115 HydrophobicContact CD1-CD1 4.41Å; M111-L115 HydrophobicContact CG-CD1 4.19Å; M111-L115 WeakPolarHBondContact O-CB 3.39Å; M111-L115 WeakPolarHBondContact O-CG 3.28Å; M111-L115 PolarHBondContact O-N 2.89Å; W113-L115 VanDerWaalsContact C-N 3.35Å; W113-L115 PolarHBondContact O-N 3.22Å; L115-G119 PolarHBondContact O-N 3.44Å; L115-Y127 HydrophobicContact CD2-CD1 4.2Å; L115-Y127 CarbonylContact O-C 3.52Å; L115-Y127 VanDerWaalsContact O-CB 3.28Å; L115-Y127 WeakPolarHBondContact O-CB 3.33Å; L115-I130 HydrophobicContact CD1-CB 4.3Å; L115-I130 HydrophobicContact CD1-CG2 3.71Å; L115-I130 HydrophobicContact CD2-CB 4.42Å; L115-I130 HydrophobicContact CD2-CG2 4.42Å; L115-L134 HydrophobicContact CD1-CD2 4.36Å
116L99Very high98.8Very high8 Ų830.5 Ų30.54%0.04213%0.132CC..Hα-helixtrans-66.2-42.1179.2-70.3166.2000111.4A112 W113 G119 R120 L135 Y180 F181 F184A112-L116 WeakPolarHBondContact O-CB 3.43Å; A112-L116 WeakPolarHBondContact O-CD1 3.36Å; A112-L116 WeakPolarHBondContact O-CG 3.44Å; A112-L116 PolarHBondContact O-N 3.39Å; W113-L116 PolarHBondContact O-N 3.15Å; L116-G119 PolarHBondContact O-N 3Å; L116-R120 PolarHBondContact O-N 3.29Å; L116-L135 HydrophobicContact CD1-CD2 4.05Å; L116-Y180 HydrophobicContact CB-CE1 4.02Å; L116-Y180 WeakPolarHBondContact CB-OH 3.48Å; L116-Y180 HydrophobicContact CD1-CE1 4.02Å; L116-F181 HydrophobicContact CD1-CE1 4.15Å; L116-F184 HydrophobicContact CD1-CE2 3.75Å; L116-F184 HydrophobicContact CD1-CZ 3.76Å; L116-F184 HydrophobicContact CD2-CZ 3.97Å; L116-F184 HydrophobicContact CG-CZ 4.44Å
117E98.9Very high98.8Very high0 Ų030.4 Ų30.40%013%0.132CC..Hα-helixtrans-72.9-36.9177.6-74.1-65.190.600113L55 W113 G119 R120 L121 Y180 E345 L346L55-E117 HydrophobicContact CD2-CB 3.79Å; W113-E117 HydrophobicContact CD2-CG 3.96Å; W113-E117 HydrophobicContact CE3-CB 4.4Å; W113-E117 HydrophobicContact CE3-CG 4.21Å; W113-E117 HydrophobicContact CH2-CB 4.43Å; W113-E117 HydrophobicContact CH2-CG 4.05Å; W113-E117 HydrophobicContact CZ2-CG 3.75Å; W113-E117 HydrophobicContact CZ3-CB 4.27Å; W113-E117 HydrophobicContact CZ3-CG 4.21Å; W113-E117 WeakPolarHBondContact O-CB 3.41Å; W113-E117 PolarHBondContact O-N 3.3Å; E117-G119 VanDerWaalsContact C-N 3.35Å; E117-R120 PolarHBondContact O-N 3.19Å; E117-R120 IonicContact OE1-CZ 3.5Å; E117-R120 IonicContact OE1-NE 2.81Å; E117-R120 PolarHBondContact OE1-NE 3.48Å; E117-R120 IonicContact OE1-NH2 3.76Å; E117-R120 IonicContact OE2-CZ 2.95Å; E117-R120 IonicContact OE2-NE 2.82Å; E117-R120 PolarHBondContact OE2-NE 3.03Å; E117-R120 IonicContact OE2-NH2 3.42Å; E117-R120 PolarHBondContact OE2-NH2 2.73Å; E117-L121 VanDerWaalsContact O-CB 3.32Å; E117-L121 WeakPolarHBondContact O-CB 3.41Å; E117-L121 WeakPolarHBondContact O-CG 3.44Å; E117-L121 PolarHBondContact O-N 3.09Å; E117-Y180 VanDerWaalsContact CD-CE2 3.45Å; E117-Y180 HydrophobicContact CG-CE2 3.94Å; E117-Y180 WeakPolarHBondContact OE1-CE2 3.17Å; E117-Y180 PolarHBondContact OE1-OH 3.34Å; E117-E345 VanDerWaalsContact OE2-CA 3.29Å; E117-E345 WeakPolarHBondContact OE2-CA 3.45Å; E117-E345 WeakPolarHBondContact OE2-CB 3.38Å; E117-L346 HydrophobicContact CG-CB 4.49Å; E117-L346 PolarHBondContact OE2-N 3.49Å
118A98.9Very high98.8Very high0 Ų032.3 Ų32.30%014%0.143CC..Hα-helixtrans-60.4-45.717000000111L55 F63 S114 R120 L121 W122 Y127L55-A118 HydrophobicContact CD1-CB 3.95Å; L55-A118 HydrophobicContact CD2-CB 4.25Å; F63-A118 HydrophobicContact CE1-CB 4.01Å; F63-A118 HydrophobicContact CE2-CB 3.92Å; F63-A118 HydrophobicContact CZ-CB 3.54Å; S114-A118 WeakPolarHBondContact O-CB 3.4Å; S114-A118 PolarHBondContact O-N 2.69Å; A118-R120 VanDerWaalsContact C-N 3.31Å; A118-R120 PolarHBondContact O-N 3.38Å; A118-L121 PolarHBondContact O-N 3.15Å; A118-W122 HydrophobicContact CB-CE3 3.68Å; A118-W122 HydrophobicContact CB-CZ3 3.79Å; A118-W122 WeakPolarHBondContact O-CB 3.43Å; A118-W122 PolarHBondContact O-N 2.87Å; A118-Y127 HydrophobicContact CB-CD2 3.82Å; A118-Y127 HydrophobicContact CB-CE2 4.46Å; A118-Y127 HydrophobicContact CB-CG 4.3Å
119G98.8Very high98.8Very high4 Ų435.7 Ų35.74%0.04116%0.162CC..Hα-helixtrans-59.4-40.9176.200000112.6L115 L116 E117 K123 E124 T128L115-G119 PolarHBondContact O-N 3.44Å; L116-G119 PolarHBondContact O-N 3Å; E117-G119 VanDerWaalsContact C-N 3.35Å; G119-K123 CarbonylContact O-C 3.5Å; G119-K123 WeakPolarHBondContact O-CA 3.25Å; G119-K123 PolarHBondContact O-N 3.36Å; G119-K123 VanDerWaalsContact O-N 3.13Å; G119-E124 VanDerWaalsContact CA-O 3.26Å; G119-E124 WeakPolarHBondContact CA-O 3.35Å; G119-E124 PolarHBondContact O-N 3.48Å; G119-T128 WeakPolarHBondContact CA-OG1 3.37Å
120R98.8Very high98.8Very high94 Ų9436 Ų3636%0.35516%0.163SC..Hα-helixtrans-67.5-50.4175.3-174.5-174.765.577-3.8112.9L116 E117 A118 L346L116-R120 PolarHBondContact O-N 3.29Å; E117-R120 PolarHBondContact O-N 3.19Å; E117-R120 IonicContact OE1-CZ 3.5Å; E117-R120 IonicContact OE1-NE 2.81Å; E117-R120 PolarHBondContact OE1-NE 3.48Å; E117-R120 IonicContact OE1-NH2 3.76Å; E117-R120 IonicContact OE2-CZ 2.95Å; E117-R120 IonicContact OE2-NE 2.82Å; E117-R120 PolarHBondContact OE2-NE 3.03Å; E117-R120 IonicContact OE2-NH2 3.42Å; E117-R120 PolarHBondContact OE2-NH2 2.73Å; A118-R120 VanDerWaalsContact C-N 3.31Å; A118-R120 PolarHBondContact O-N 3.38Å; R120-L346 PolarHBondContact NH2-O 3.29Å
121L98.6Very high98.8Very high38 Ų3835.9 Ų35.920%0.19916%0.163CC..Hα-helixtrans-77.6-42.2-171.1-73168.2000112.8L55 E117 A118 K123 L346 P348 W350L55-L121 HydrophobicContact CD1-CD1 4.22Å; E117-L121 VanDerWaalsContact O-CB 3.32Å; E117-L121 WeakPolarHBondContact O-CB 3.41Å; E117-L121 WeakPolarHBondContact O-CG 3.44Å; E117-L121 PolarHBondContact O-N 3.09Å; A118-L121 PolarHBondContact O-N 3.15Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-L346 HydrophobicContact CD1-CB 4.05Å; L121-L346 HydrophobicContact CD1-CD2 3.81Å; L121-L346 HydrophobicContact CD1-CG 4.19Å; L121-P348 HydrophobicContact CD1-CG 4.18Å; L121-P348 HydrophobicContact CD2-CG 4.32Å; L121-W350 HydrophobicContact CB-CH2 3.71Å; L121-W350 HydrophobicContact CB-CZ3 4.37Å; L121-W350 HydrophobicContact CD1-CH2 4.06Å; L121-W350 HydrophobicContact CD1-CZ2 4.19Å; L121-W350 HydrophobicContact CG-CH2 4.33Å
122W98.5Very high98.8Very high33 Ų3337.2 Ų37.213%0.12517%0.172CC..THydrogen-bonded Turntrans-890.5176.7-63.3-35.2000113.6L55 N58 R60 F63 A118 E124 Y127 W350L55-W122 HydrophobicContact CB-CH2 4.39Å; L55-W122 HydrophobicContact CD1-CD2 4.17Å; L55-W122 HydrophobicContact CD1-CE3 4.24Å; L55-W122 HydrophobicContact CD1-CH2 3.8Å; L55-W122 HydrophobicContact CD1-CZ2 3.7Å; L55-W122 HydrophobicContact CD1-CZ3 4.07Å; N58-W122 PolarHBondContact OD1-NE1 2.85Å; R60-W122 HydrophobicContact CB-CH2 4.09Å; R60-W122 HydrophobicContact CB-CZ2 4.02Å; R60-W122 HydrophobicContact CB-CZ3 4.35Å; R60-W122 HydrophobicContact CG-CD2 4.36Å; R60-W122 HydrophobicContact CG-CE3 4.12Å; R60-W122 HydrophobicContact CG-CH2 4.36Å; R60-W122 HydrophobicContact CG-CZ3 4.12Å; F63-W122 HydrophobicContact CB-CH2 3.64Å; F63-W122 HydrophobicContact CB-CZ3 3.78Å; F63-W122 HydrophobicContact CD1-CH2 4.45Å; F63-W122 AromaticContact CD1-CZ3 3.76Å; F63-W122 HydrophobicContact CD1-CZ3 3.76Å; F63-W122 AromaticContact CD2-CH2 3.9Å; F63-W122 HydrophobicContact CD2-CH2 3.9Å; F63-W122 AromaticContact CD2-CZ3 3.84Å; F63-W122 HydrophobicContact CD2-CZ3 3.84Å; F63-W122 HydrophobicContact CE1-CZ3 4.29Å; F63-W122 HydrophobicContact CE2-CZ3 4.36Å; F63-W122 AromaticContact CG-CH2 3.76Å; F63-W122 HydrophobicContact CG-CH2 3.76Å; F63-W122 AromaticContact CG-CZ3 3.52Å; F63-W122 HydrophobicContact CG-CZ3 3.52Å; A118-W122 HydrophobicContact CB-CE3 3.68Å; A118-W122 HydrophobicContact CB-CZ3 3.79Å; A118-W122 WeakPolarHBondContact O-CB 3.43Å; A118-W122 PolarHBondContact O-N 2.87Å; W122-E124 VanDerWaalsContact C-N 3.29Å; W122-E124 PolarHBondContact O-N 2.88Å; W122-Y127 HydrophobicContact CE3-CD2 4.18Å; W122-Y127 AromaticContact CE3-CE2 3.64Å; W122-Y127 HydrophobicContact CE3-CE2 3.64Å; W122-Y127 HydrophobicContact CZ3-CE2 4.17Å; W122-W350 AromaticContact CD1-CH2 3.73Å; W122-W350 AromaticContact NE1-CH2 3.39Å; W122-W350 AromaticContact NE1-CZ2 3.88Å
123K98.6Very high98.8Very high187 Ų18738.4 Ų38.481%0.81318%0.181SC*.THydrogen-bonded Turntrans55.343.2-179.9-56.1176.1-176.2174.10112.4G119 L121G119-K123 CarbonylContact O-C 3.5Å; G119-K123 WeakPolarHBondContact O-CA 3.25Å; G119-K123 PolarHBondContact O-N 3.36Å; G119-K123 VanDerWaalsContact O-N 3.13Å; L121-K123 VanDerWaalsContact C-N 3.34Å
124E98.7Very high98.8Very high57 Ų5738.4 Ų38.427%0.26618%0.181SC..  trans-111.1106-177.1176.553.6-104.900110.4R60 G119 W122 R126 Y127 T128R60-E124 IonicContact NH2-OE2 3.68Å; R60-E124 PolarHBondContact NH2-OE2 3.16Å; G119-E124 VanDerWaalsContact CA-O 3.26Å; G119-E124 WeakPolarHBondContact CA-O 3.35Å; G119-E124 PolarHBondContact O-N 3.48Å; W122-E124 VanDerWaalsContact C-N 3.29Å; W122-E124 PolarHBondContact O-N 2.88Å; E124-R126 HydrophobicContact CG-CB 4.07Å; E124-R126 PolarHBondContact O-N 2.9Å; E124-R126 VanDerWaalsContact OE1-CB 3.26Å; E124-R126 WeakPolarHBondContact OE1-CB 3.38Å; E124-R126 PolarHBondContact OE1-N 2.96Å; E124-Y127 HydrophobicContact CB-CD2 3.44Å; E124-Y127 VanDerWaalsContact CB-CD2 3.44Å; E124-Y127 HydrophobicContact CB-CE2 3.57Å; E124-Y127 HydrophobicContact CB-CG 4.24Å; E124-Y127 HydrophobicContact CG-CD1 4.29Å; E124-Y127 HydrophobicContact CG-CD2 3.43Å; E124-Y127 VanDerWaalsContact CG-CD2 3.43Å; E124-Y127 HydrophobicContact CG-CE1 4.32Å; E124-Y127 HydrophobicContact CG-CE2 3.42Å; E124-Y127 VanDerWaalsContact CG-CE2 3.42Å; E124-Y127 HydrophobicContact CG-CG 3.84Å; E124-Y127 PolarHBondContact O-N 3.41Å; E124-T128 PolarHBondContact O-N 3.21Å
125Q98.7Very high98.8Very high116 Ų11638.5 Ų38.554%0.54218%0.182SC..Hα-helixtrans-63.3-31.2-177.1-169.960.746.700111.8Y127 T128 D129Q125-Y127 VanDerWaalsContact C-N 3.32Å; Q125-Y127 PolarHBondContact O-N 2.74Å; Q125-T128 PolarHBondContact O-N 2.77Å; Q125-D129 PolarHBondContact NE2-OD1 2.76Å; Q125-D129 VanDerWaalsContact O-CG 3.28Å; Q125-D129 PolarHBondContact O-N 3.44Å
126R98.8Very high98.8Very high100 Ų10044.4 Ų44.438%0.37721%0.208SC..Hα-helixtrans-54.8-47.1176.3177.8-175165.4-157-4.5111.4D68 E124 D129 I130D68-R126 IonicContact OD1-CZ 2.62Å; D68-R126 IonicContact OD1-NH2 3.92Å; D68-R126 PolarHBondContact OD1-NH2 3.29Å; E124-R126 HydrophobicContact CG-CB 4.07Å; E124-R126 PolarHBondContact O-N 2.9Å; E124-R126 VanDerWaalsContact OE1-CB 3.26Å; E124-R126 WeakPolarHBondContact OE1-CB 3.38Å; E124-R126 PolarHBondContact OE1-N 2.96Å; R126-D129 PolarHBondContact O-N 3.48Å; R126-I130 HydrophobicContact CG-CD1 3.9Å; R126-I130 VanDerWaalsContact O-CG1 3.28Å; R126-I130 WeakPolarHBondContact O-CG1 3.29Å; R126-I130 PolarHBondContact O-N 2.66Å; R126-I130 VanDerWaalsContact O-N 3.11Å
127Y98.9Very high98.8Very high1 Ų146 Ų460%0.00421%0.213CC..Hα-helixtrans-67.5-42.1-179.5-54.2-40.7000111.4R60 F63 D64 L67 L115 A118 W122 E124 Q125 D129 I130 G131R60-Y127 PolarHBondContact NE-OH 2.85Å; F63-Y127 HydrophobicContact CD1-CE1 4.19Å; F63-Y127 HydrophobicContact CE1-CD1 4.02Å; F63-Y127 HydrophobicContact CE1-CE1 4.01Å; F63-Y127 HydrophobicContact CE1-CG 4.32Å; D64-Y127 VanDerWaalsContact OD1-CE1 3.29Å; D64-Y127 WeakPolarHBondContact OD1-CE1 3.48Å; D64-Y127 VanDerWaalsContact OD1-CZ 3.27Å; D64-Y127 PolarHBondContact OD1-OH 3.48Å; D64-Y127 PolarHBondContact OD2-OH 3.42Å; D64-Y127 VanDerWaalsContact OD2-OH 3.08Å; L67-Y127 HydrophobicContact CD2-CD1 3.82Å; L67-Y127 HydrophobicContact CD2-CE1 3.84Å; L115-Y127 HydrophobicContact CD2-CD1 4.2Å; L115-Y127 CarbonylContact O-C 3.52Å; L115-Y127 VanDerWaalsContact O-CB 3.28Å; L115-Y127 WeakPolarHBondContact O-CB 3.33Å; A118-Y127 HydrophobicContact CB-CD2 3.82Å; A118-Y127 HydrophobicContact CB-CE2 4.46Å; A118-Y127 HydrophobicContact CB-CG 4.3Å; W122-Y127 HydrophobicContact CE3-CD2 4.18Å; W122-Y127 AromaticContact CE3-CE2 3.64Å; W122-Y127 HydrophobicContact CE3-CE2 3.64Å; W122-Y127 HydrophobicContact CZ3-CE2 4.17Å; E124-Y127 HydrophobicContact CB-CD2 3.44Å; E124-Y127 VanDerWaalsContact CB-CD2 3.44Å; E124-Y127 HydrophobicContact CB-CE2 3.57Å; E124-Y127 HydrophobicContact CB-CG 4.24Å; E124-Y127 HydrophobicContact CG-CD1 4.29Å; E124-Y127 HydrophobicContact CG-CD2 3.43Å; E124-Y127 VanDerWaalsContact CG-CD2 3.43Å; E124-Y127 HydrophobicContact CG-CE1 4.32Å; E124-Y127 HydrophobicContact CG-CE2 3.42Å; E124-Y127 VanDerWaalsContact CG-CE2 3.42Å; E124-Y127 HydrophobicContact CG-CG 3.84Å; E124-Y127 PolarHBondContact O-N 3.41Å; Q125-Y127 VanDerWaalsContact C-N 3.32Å; Q125-Y127 PolarHBondContact O-N 2.74Å; Y127-D129 VanDerWaalsContact C-N 3.31Å; Y127-D129 PolarHBondContact O-N 3.46Å; Y127-I130 PolarHBondContact O-N 2.83Å; Y127-G131 PolarHBondContact O-N 3.23Å
128T98.9Very high98.8Very high39 Ų3946 Ų4624%0.23921%0.213CC..Hα-helixtrans-56.9-45175.2-60.50000111.5G119 E124 Q125 S132G119-T128 WeakPolarHBondContact CA-OG1 3.37Å; E124-T128 PolarHBondContact O-N 3.21Å; Q125-T128 PolarHBondContact O-N 2.77Å; T128-S132 VanDerWaalsContact O-CB 3.25Å; T128-S132 WeakPolarHBondContact O-CB 3.49Å; T128-S132 PolarHBondContact O-N 2.82Å
129D98.8Very high98.8Very high72 Ų7247 Ų4739%0.38522%0.222SC..Hα-helixtrans-66.5-41.3-178.7-69.6-9.9000112.3Q125 R126 Y127 A133Q125-D129 PolarHBondContact NE2-OD1 2.76Å; Q125-D129 VanDerWaalsContact O-CG 3.28Å; Q125-D129 PolarHBondContact O-N 3.44Å; R126-D129 PolarHBondContact O-N 3.48Å; Y127-D129 VanDerWaalsContact C-N 3.31Å; Y127-D129 PolarHBondContact O-N 3.46Å; D129-A133 WeakPolarHBondContact O-CB 3.27Å; D129-A133 PolarHBondContact O-N 3.04Å; D129-A133 VanDerWaalsContact O-N 3.13Å
130I98.9Very high98.8Very high5 Ų553.9 Ų53.93%0.02625%0.247CC..Hα-helixtrans-67.4-50176.7-61.1163.9000109.7L67 L79 K80 L115 R126 Y127 S132 A133 L134L67-I130 HydrophobicContact CD2-CD1 4.3Å; L79-I130 HydrophobicContact CB-CG2 3.82Å; L79-I130 HydrophobicContact CD1-CG2 4.24Å; K80-I130 HydrophobicContact CG-CG1 4.45Å; L115-I130 HydrophobicContact CD1-CB 4.3Å; L115-I130 HydrophobicContact CD1-CG2 3.71Å; L115-I130 HydrophobicContact CD2-CB 4.42Å; L115-I130 HydrophobicContact CD2-CG2 4.42Å; R126-I130 HydrophobicContact CG-CD1 3.9Å; R126-I130 VanDerWaalsContact O-CG1 3.28Å; R126-I130 WeakPolarHBondContact O-CG1 3.29Å; R126-I130 PolarHBondContact O-N 2.66Å; R126-I130 VanDerWaalsContact O-N 3.11Å; Y127-I130 PolarHBondContact O-N 2.83Å; I130-S132 VanDerWaalsContact C-N 3.34Å; I130-S132 PolarHBondContact O-N 2.84Å; I130-A133 PolarHBondContact O-N 3.08Å; I130-L134 WeakPolarHBondContact O-CB 3.39Å; I130-L134 PolarHBondContact O-N 3.48Å
131G98.9Very high98.8Very high0 Ų052.6 Ų52.60%025%0.245CC..Hα-helixtrans-60.8-40.2-179.600000112.9Y127 L134 L135Y127-G131 PolarHBondContact O-N 3.23Å; G131-L134 PolarHBondContact O-N 2.91Å; G131-L135 VanDerWaalsContact O-CB 3.32Å; G131-L135 WeakPolarHBondContact O-CB 3.34Å; G131-L135 PolarHBondContact O-N 2.91Å
132S98.8Very high98.8Very high27 Ų2750.8 Ų50.819%0.18924%0.235CC..Hα-helixtrans-67.7-41.2175.9-176.40000112.4T128 I130 K136T128-S132 VanDerWaalsContact O-CB 3.25Å; T128-S132 WeakPolarHBondContact O-CB 3.49Å; T128-S132 PolarHBondContact O-N 2.82Å; I130-S132 VanDerWaalsContact C-N 3.34Å; I130-S132 PolarHBondContact O-N 2.84Å; S132-K136 WeakPolarHBondContact O-CB 3.1Å; S132-K136 VanDerWaalsContact O-CG 3.3Å; S132-K136 WeakPolarHBondContact O-CG 3.42Å; S132-K136 PolarHBondContact O-N 3.27Å
133A98.8Very high98.8Very high25 Ų2550.1 Ų50.121%0.20724%0.235CC..Hα-helixtrans-63.6-43.8176.300000111.6K80 D129 I130 K136 R137K80-A133 HydrophobicContact CB-CB 4.09Å; K80-A133 HydrophobicContact CD-CB 4.46Å; K80-A133 HydrophobicContact CG-CB 3.81Å; D129-A133 WeakPolarHBondContact O-CB 3.27Å; D129-A133 PolarHBondContact O-N 3.04Å; D129-A133 VanDerWaalsContact O-N 3.13Å; I130-A133 PolarHBondContact O-N 3.08Å; A133-K136 PolarHBondContact O-N 3.45Å; A133-R137 PolarHBondContact O-N 3.45Å; A133-R137 VanDerWaalsContact O-N 3.09Å
134L98.9Very high98.8Very high0 Ų043.3 Ų43.30%021%0.209CC..Hα-helixtrans-62.3-49.4176.5-178.859.4000111.1L79 L83 M111 A112 L115 I130 G131 K136 R137 I138L79-L134 HydrophobicContact CD2-CD1 4.39Å; L79-L134 HydrophobicContact CD2-CD2 4.47Å; L83-L134 HydrophobicContact CD2-CD1 3.69Å; M111-L134 HydrophobicContact CB-CD2 4.02Å; M111-L134 HydrophobicContact CG-CD2 3.87Å; M111-L134 HydrophobicContact SD-CD2 4.08Å; A112-L134 HydrophobicContact CB-CD2 4.05Å; A112-L134 HydrophobicContact CB-CG 4.16Å; L115-L134 HydrophobicContact CD1-CD2 4.36Å; I130-L134 WeakPolarHBondContact O-CB 3.39Å; I130-L134 PolarHBondContact O-N 3.48Å; G131-L134 PolarHBondContact O-N 2.91Å; L134-K136 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.32Å; L134-R137 WeakPolarHBondContact O-CA 3.28Å; L134-R137 VanDerWaalsContact O-CB 3.29Å; L134-R137 WeakPolarHBondContact O-CB 3.43Å; L134-R137 PolarHBondContact O-N 2.93Å; L134-I138 HydrophobicContact CG-CD1 4.3Å; L134-I138 WeakPolarHBondContact O-CG1 3.39Å; L134-I138 PolarHBondContact O-N 3.33Å
135L98.9Very high98.8Very high3 Ų345.9 Ų45.92%0.01623%0.228CC..Hα-helixtrans-58.4-44.1178.6-170.168.2000112A112 L116 G131 R137 I138 A139 F181 F184 W188A112-L135 HydrophobicContact CB-CB 4.22Å; A112-L135 HydrophobicContact CB-CD1 4.16Å; L116-L135 HydrophobicContact CD1-CD2 4.05Å; G131-L135 VanDerWaalsContact O-CB 3.32Å; G131-L135 WeakPolarHBondContact O-CB 3.34Å; G131-L135 PolarHBondContact O-N 2.91Å; L135-R137 PolarHBondContact O-N 3.4Å; L135-I138 PolarHBondContact O-N 3.02Å; L135-A139 PolarHBondContact O-N 3.48Å; L135-A139 VanDerWaalsContact O-N 3.15Å; L135-F181 HydrophobicContact CD1-CD1 3.53Å; L135-F181 HydrophobicContact CD1-CD2 4.18Å; L135-F181 HydrophobicContact CD1-CE1 3.49Å; L135-F181 VanDerWaalsContact CD1-CE1 3.49Å; L135-F181 HydrophobicContact CD1-CE2 4.13Å; L135-F181 HydrophobicContact CD1-CG 3.9Å; L135-F181 HydrophobicContact CD1-CZ 3.79Å; L135-F181 HydrophobicContact CD2-CD1 3.54Å; L135-F181 HydrophobicContact CD2-CE1 4.01Å; L135-F181 HydrophobicContact CD2-CG 4.26Å; L135-F181 HydrophobicContact CG-CD1 4.21Å; L135-F181 HydrophobicContact CG-CE1 4.39Å; L135-F184 HydrophobicContact CD2-CB 4.28Å; L135-F184 HydrophobicContact CD2-CD2 3.33Å; L135-F184 HydrophobicContact CD2-CE2 3.71Å; L135-F184 HydrophobicContact CD2-CG 3.81Å; L135-F184 HydrophobicContact CD2-CZ 4.45Å; L135-W188 HydrophobicContact CD1-CD2 4.4Å; L135-W188 HydrophobicContact CD1-CE3 4.49Å; L135-W188 HydrophobicContact CD1-CH2 3.31Å; L135-W188 HydrophobicContact CD1-CZ2 3.18Å; L135-W188 HydrophobicContact CD1-CZ3 3.99Å; L135-W188 HydrophobicContact CD2-CZ2 4.31Å; L135-W188 HydrophobicContact CG-CH2 4.09Å; L135-W188 HydrophobicContact CG-CZ2 3.42Å; L135-W188 VanDerWaalsContact CG-CZ2 3.42Å; L135-W188 WeakPolarHBondContact O-CZ2 3.35Å
136K98.8Very high98.8Very high124 Ų12440.4 Ų40.454%0.53920%0.202SC..Hα-helixtrans-62.3-30.5175-72.7174.1-178.7171.90112.2S132 A133 L134 R140S132-K136 WeakPolarHBondContact O-CB 3.1Å; S132-K136 VanDerWaalsContact O-CG 3.3Å; S132-K136 WeakPolarHBondContact O-CG 3.42Å; S132-K136 PolarHBondContact O-N 3.27Å; A133-K136 PolarHBondContact O-N 3.45Å; L134-K136 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.32Å; K136-R140 WeakPolarHBondContact O-CG 3.06Å; K136-R140 PolarHBondContact O-N 2.93Å; K136-R140 PolarHBondContact O-NH1 2.99Å; K136-R140 VanDerWaalsContact O-NH1 3.17Å
137R98.6Very high98.8Very high40 Ų4038.3 Ų38.315%0.15120%0.202CC..Hα-helixtrans-74.2-44.6177.6-169.6174.3-65.5-79.73.6112K80 E81 L83 A133 L134 L135 A139 R140 E141K80-R137 PolarHBondContact O-NH2 3.25Å; E81-R137 VanDerWaalsContact C-CZ 3.4Å; E81-R137 VanDerWaalsContact C-NH2 3.31Å; E81-R137 PolarHBondContact O-NH1 3.44Å; E81-R137 PolarHBondContact O-NH2 2.99Å; L83-R137 HydrophobicContact CD2-CB 4.04Å; L83-R137 HydrophobicContact CD2-CG 3.79Å; L83-R137 HydrophobicContact CG-CG 4.01Å; A133-R137 PolarHBondContact O-N 3.45Å; A133-R137 VanDerWaalsContact O-N 3.09Å; L134-R137 WeakPolarHBondContact O-CA 3.28Å; L134-R137 VanDerWaalsContact O-CB 3.29Å; L134-R137 WeakPolarHBondContact O-CB 3.43Å; L134-R137 PolarHBondContact O-N 2.93Å; L135-R137 PolarHBondContact O-N 3.4Å; R137-A139 VanDerWaalsContact C-N 3.25Å; R137-A139 PolarHBondContact O-N 2.74Å; R137-R140 WeakPolarHBondContact O-CA 3.37Å; R137-R140 PolarHBondContact O-N 3.25Å; R137-E141 WeakPolarHBondContact CD-OE1 3.39Å; R137-E141 VanDerWaalsContact CG-CD 3.43Å; R137-E141 HydrophobicContact CG-CG 4.08Å; R137-E141 WeakPolarHBondContact CG-OE1 3.08Å; R137-E141 IonicContact CZ-OE1 3.29Å; R137-E141 IonicContact NE-OE1 2.85Å; R137-E141 IonicContact NH1-OE1 2.75Å; R137-E141 PolarHBondContact NH1-OE1 2.92Å; R137-E141 PolarHBondContact O-N 3.14Å
138I98.9Very high98.7Very high0 Ų041.1 Ų41.10%023%0.231CC..Hα-helixtrans-50.3-50.6172.3-66.8169000109.8L83 D108 V109 A112 L134 L135 R140 E141 E142 V143 L153 W188L83-I138 HydrophobicContact CD2-CG1 3.83Å; D108-I138 HydrophobicContact CB-CD1 3.67Å; D108-I138 HydrophobicContact CB-CG1 3.88Å; D108-I138 WeakPolarHBondContact O-CD1 3.29Å; V109-I138 HydrophobicContact CG1-CD1 4.15Å; V109-I138 HydrophobicContact CG1-CG2 4.29Å; A112-I138 HydrophobicContact CB-CD1 4.04Å; L134-I138 HydrophobicContact CG-CD1 4.3Å; L134-I138 WeakPolarHBondContact O-CG1 3.39Å; L134-I138 PolarHBondContact O-N 3.33Å; L135-I138 PolarHBondContact O-N 3.02Å; I138-R140 PolarHBondContact O-N 3.3Å; I138-E141 PolarHBondContact O-N 3.48Å; I138-E142 HydrophobicContact CB-CG 4.39Å; I138-E142 HydrophobicContact CG2-CG 3.89Å; I138-E142 WeakPolarHBondContact CG2-OE1 3.4Å; I138-E142 WeakPolarHBondContact O-CG 3.41Å; I138-E142 PolarHBondContact O-N 2.95Å; I138-V143 HydrophobicContact CG2-CG2 4.49Å; I138-V143 PolarHBondContact O-N 2.69Å; I138-L153 HydrophobicContact CG2-CD1 3.84Å; I138-W188 HydrophobicContact CB-CH2 4.24Å; I138-W188 HydrophobicContact CG2-CH2 3.69Å; I138-W188 HydrophobicContact CG2-CZ2 4.44Å
139A98.8Very high98.7Very high22 Ų2240.1 Ų40.118%0.18222%0.224CC..Hα-helixtrans-60.4-27178.100000114.6L135 R137 P187 W188L135-A139 PolarHBondContact O-N 3.48Å; L135-A139 VanDerWaalsContact O-N 3.15Å; R137-A139 VanDerWaalsContact C-N 3.25Å; R137-A139 PolarHBondContact O-N 2.74Å; A139-P187 HydrophobicContact CB-CG 3.82Å; A139-W188 HydrophobicContact CB-CZ2 3.88Å
140R98.6Very high98.7Very high149 Ų14937.8 Ų37.856%0.56222%0.217SC*.Hα-helixtrans-89.9-34.5179.7-73.9-170.9-54.2-91.4-0.3113.4K136 R137 I138K136-R140 WeakPolarHBondContact O-CG 3.06Å; K136-R140 PolarHBondContact O-N 2.93Å; K136-R140 PolarHBondContact O-NH1 2.99Å; K136-R140 VanDerWaalsContact O-NH1 3.17Å; R137-R140 WeakPolarHBondContact O-CA 3.37Å; R137-R140 PolarHBondContact O-N 3.25Å; I138-R140 PolarHBondContact O-N 3.3Å
141E98.7Very high98.7Very high67 Ų6738.4 Ų38.431%0.31322%0.222SC..Hα-helixtrans-107-22.7-165.3-67.2-177.5-153.700113.7L83 R137 I138L83-E141 HydrophobicContact CD1-CB 3.99Å; R137-E141 WeakPolarHBondContact CD-OE1 3.39Å; R137-E141 VanDerWaalsContact CG-CD 3.43Å; R137-E141 HydrophobicContact CG-CG 4.08Å; R137-E141 WeakPolarHBondContact CG-OE1 3.08Å; R137-E141 IonicContact CZ-OE1 3.29Å; R137-E141 IonicContact NE-OE1 2.85Å; R137-E141 IonicContact NH1-OE1 2.75Å; R137-E141 PolarHBondContact NH1-OE1 2.92Å; R137-E141 PolarHBondContact O-N 3.14Å; I138-E141 PolarHBondContact O-N 3.48Å
142E98.8Very high98.7Very high0 Ų038.6 Ų38.60%022%0.223CC..SBendtrans-140.217.2-177.359.1-179.3-159.500113.6L83 S103 S105 I138 L153 L154L83-E142 HydrophobicContact CD1-CG 4.12Å; S103-E142 PolarHBondContact OG-OE2 3.34Å; S105-E142 WeakPolarHBondContact CA-OE1 3.41Å; S105-E142 WeakPolarHBondContact CB-OE1 3.3Å; S105-E142 WeakPolarHBondContact CB-OE2 3.48Å; I138-E142 HydrophobicContact CB-CG 4.39Å; I138-E142 HydrophobicContact CG2-CG 3.89Å; I138-E142 WeakPolarHBondContact CG2-OE1 3.4Å; I138-E142 WeakPolarHBondContact O-CG 3.41Å; I138-E142 PolarHBondContact O-N 2.95Å; E142-L153 HydrophobicContact CG-CD1 4.23Å; E142-L154 HydrophobicContact CB-CB 4.5Å; E142-L154 WeakPolarHBondContact O-CB 3.49Å; E142-L154 PolarHBondContact O-N 3.48Å
143V98.9Very high98.7Very high19 Ų1938.3 Ų38.312%0.11522%0.219CC..EExtended strand (participates in β ladder)trans-112.8125165.4177.20000109.1I138 M152 L153 P187 L191I138-V143 HydrophobicContact CG2-CG2 4.49Å; I138-V143 PolarHBondContact O-N 2.69Å; V143-M152 WeakPolarHBondContact CA-O 3.27Å; V143-L153 HydrophobicContact CG2-CD1 3.82Å; V143-P187 HydrophobicContact CB-CG 4.44Å; V143-P187 HydrophobicContact CG1-CB 4.06Å; V143-P187 HydrophobicContact CG1-CG 3.89Å; V143-L191 HydrophobicContact CG1-CD1 4.08Å; V143-L191 HydrophobicContact CG1-CD2 4.19Å; V143-L191 HydrophobicContact CG1-CG 4.4Å; V143-L191 HydrophobicContact CG2-CD1 3.88Å
144V98.7Very high98.7Very high44 Ų4437.4 Ų37.427%0.26721%0.211SC..EExtended strand (participates in β ladder)trans-123.7159.5179.8-61.10000111.1V146 S151 M152 L154V144-V146 HydrophobicContact CG2-CG2 3.99Å; V144-S151 CarbonylContact O-C 3.44Å; V144-S151 WeakPolarHBondContact O-CA 3.38Å; V144-M152 PolarHBondContact N-O 3.34Å; V144-M152 PolarHBondContact O-N 2.98Å; V144-L154 HydrophobicContact CB-CD1 4.48Å; V144-L154 HydrophobicContact CG1-CD1 3.64Å; V144-L154 HydrophobicContact CG1-CG 4.27Å; V144-L154 HydrophobicContact CG2-CD1 4.01Å; V144-L154 HydrophobicContact CG2-CD2 3.81Å; V144-L154 HydrophobicContact CG2-CG 3.86Å
145T98.6Very high98.7Very high110 Ų11037.5 Ų37.568%0.67521%0.211SC*.EExtended strand (participates in β ladder)trans-94.7119.2172.2-60.60000109.7
146V98.7Very high98.6Very high1 Ų137.4 Ų37.41%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-104.5122.6-177.31790000109.7V144 G148 L149 G150 M152 W166 F168 Y214V144-V146 HydrophobicContact CG2-CG2 3.99Å; V146-G148 PolarHBondContact O-N 3.29Å; V146-L149 HydrophobicContact CB-CB 4.21Å; V146-L149 HydrophobicContact CB-CD1 4.36Å; V146-L149 HydrophobicContact CG1-CB 4.38Å; V146-L149 HydrophobicContact CG1-CD1 3.98Å; V146-L149 HydrophobicContact CG1-CG 4.3Å; V146-L149 PolarHBondContact O-N 3.29Å; V146-G150 PolarHBondContact N-O 2.89Å; V146-G150 PolarHBondContact O-N 3.39Å; V146-M152 HydrophobicContact CB-CG 4.19Å; V146-M152 HydrophobicContact CG2-CB 3.92Å; V146-M152 HydrophobicContact CG2-CG 3.84Å; V146-W166 HydrophobicContact CB-CD2 4.41Å; V146-W166 HydrophobicContact CG1-CD2 3.75Å; V146-W166 HydrophobicContact CG1-CE3 3.51Å; V146-W166 HydrophobicContact CG1-CG 4.48Å; V146-W166 HydrophobicContact CG1-CH2 4.08Å; V146-W166 HydrophobicContact CG1-CZ2 4.27Å; V146-W166 HydrophobicContact CG1-CZ3 3.68Å; V146-W166 HydrophobicContact CG2-CD2 3.92Å; V146-W166 HydrophobicContact CG2-CG 3.98Å; V146-F168 HydrophobicContact CG2-CZ 4Å; V146-Y214 HydrophobicContact CG1-CD1 3.62Å; V146-Y214 HydrophobicContact CG1-CE1 3.7Å; V146-Y214 HydrophobicContact CG1-CG 4.49Å
147P98.3Very high98.6Very high57 Ų5735.3 Ų35.337%0.3720%0.201SC..THydrogen-bonded Turntrans-54.1124.3176.2-25.734.5000112.6W166 Y214 K216P147-W166 VanDerWaalsContact CD-CH2 3.46Å; P147-W166 HydrophobicContact CG-CH2 4.2Å; P147-Y214 VanDerWaalsContact O-CE1 3.25Å; P147-Y214 WeakPolarHBondContact O-CE1 3.38Å; P147-Y214 PolarHBondContact O-OH 2.92Å; P147-Y214 VanDerWaalsContact O-OH 3.04Å; P147-K216 HydrophobicContact CB-CG 4.22Å; P147-K216 HydrophobicContact CG-CD 4.44Å; P147-K216 HydrophobicContact CG-CG 4.38Å
148G97.9Very high98.6Very high59 Ų5937.8 Ų37.861%0.60822%0.221SC*.THydrogen-bonded Turntrans88.7-8.3-177.600000115.6V146 R197 Y214V146-G148 PolarHBondContact O-N 3.29Å; G148-R197 PolarHBondContact O-NH1 2.92Å; G148-Y214 WeakPolarHBondContact CA-OH 3.07Å
149L98.4Very high98.5Very high19 Ų1941.2 Ų41.210%0.09926%0.256CS..THydrogen-bonded Turntrans-115.4-53.6173.5-63.5178.2000112.7V146 M152 F168 T194 Y214 W220V146-L149 HydrophobicContact CB-CB 4.21Å; V146-L149 HydrophobicContact CB-CD1 4.36Å; V146-L149 HydrophobicContact CG1-CB 4.38Å; V146-L149 HydrophobicContact CG1-CD1 3.98Å; V146-L149 HydrophobicContact CG1-CG 4.3Å; V146-L149 PolarHBondContact O-N 3.29Å; L149-M152 HydrophobicContact CB-CG 4.13Å; L149-M152 HydrophobicContact CB-SD 4.34Å; L149-M152 HydrophobicContact CD1-CE 4.1Å; L149-M152 HydrophobicContact CD1-CG 3.91Å; L149-M152 HydrophobicContact CD1-SD 3.92Å; L149-F168 HydrophobicContact CD1-CE2 4.49Å; L149-T194 WeakPolarHBondContact O-CG2 3.48Å; L149-Y214 HydrophobicContact CD1-CD1 4.24Å; L149-Y214 HydrophobicContact CD1-CD2 3.68Å; L149-Y214 HydrophobicContact CD1-CE1 4.35Å; L149-Y214 HydrophobicContact CD1-CE2 3.79Å; L149-Y214 HydrophobicContact CD1-CG 3.9Å; L149-Y214 HydrophobicContact CD2-CD2 4.28Å; L149-Y214 HydrophobicContact CD2-CE2 3.71Å; L149-Y214 HydrophobicContact CG-CD2 4.08Å; L149-Y214 HydrophobicContact CG-CE1 4.27Å; L149-Y214 HydrophobicContact CG-CE2 3.63Å; L149-W220 HydrophobicContact CD1-CH2 3.47Å; L149-W220 VanDerWaalsContact CD1-CH2 3.47Å; L149-W220 HydrophobicContact CD1-CZ2 3.81Å; L149-W220 HydrophobicContact CD1-CZ3 4.19Å; L149-W220 HydrophobicContact CD2-CH2 4.14Å; L149-W220 HydrophobicContact CD2-CZ2 3.56Å; L149-W220 HydrophobicContact CG-CH2 4.47Å; L149-W220 HydrophobicContact CG-CZ2 4.35Å
150G98.2Very high98.5Very high22 Ų2242 Ų4223%0.22726%0.256CS..EExtended strand (participates in β ladder)trans110.2-152.8-165.500000111.5V146 M152V146-G150 PolarHBondContact N-O 2.89Å; V146-G150 PolarHBondContact O-N 3.39Å; G150-M152 PolarHBondContact O-N 3.48Å
151S98.8Very high98.5Very high19 Ų1937.2 Ų37.213%0.13325%0.248CC..EExtended strand (participates in β ladder)trans-65.2130.3177.7-54.80000111V144 L191 T194V144-S151 CarbonylContact O-C 3.44Å; V144-S151 WeakPolarHBondContact O-CA 3.38Å; S151-L191 WeakPolarHBondContact O-CD2 3.44Å; S151-T194 WeakPolarHBondContact O-CB 3.42Å; S151-T194 WeakPolarHBondContact O-CG2 3.28Å; S151-T194 PolarHBondContact O-OG1 3.12Å
152M98.9Very high98.4Very high4 Ų440.5 Ų40.52%0.0226%0.264CS..EExtended strand (participates in β ladder)trans-132.4139178.2-70.5-68-68.200110V143 V144 V146 L149 G150 F168 T194 L198 W220V143-M152 WeakPolarHBondContact CA-O 3.27Å; V144-M152 PolarHBondContact N-O 3.34Å; V144-M152 PolarHBondContact O-N 2.98Å; V146-M152 HydrophobicContact CB-CG 4.19Å; V146-M152 HydrophobicContact CG2-CB 3.92Å; V146-M152 HydrophobicContact CG2-CG 3.84Å; L149-M152 HydrophobicContact CB-CG 4.13Å; L149-M152 HydrophobicContact CB-SD 4.34Å; L149-M152 HydrophobicContact CD1-CE 4.1Å; L149-M152 HydrophobicContact CD1-CG 3.91Å; L149-M152 HydrophobicContact CD1-SD 3.92Å; G150-M152 PolarHBondContact O-N 3.48Å; M152-F168 HydrophobicContact CB-CD1 4.44Å; M152-F168 HydrophobicContact CB-CE1 3.56Å; M152-F168 HydrophobicContact CB-CZ 3.87Å; M152-F168 HydrophobicContact CE-CD1 3.74Å; M152-F168 HydrophobicContact CE-CD2 3.94Å; M152-F168 HydrophobicContact CE-CE1 3.73Å; M152-F168 HydrophobicContact CE-CE2 3.89Å; M152-F168 HydrophobicContact CE-CG 3.84Å; M152-F168 HydrophobicContact CE-CZ 3.81Å; M152-F168 HydrophobicContact CG-CE1 4.17Å; M152-F168 HydrophobicContact CG-CZ 4.03Å; M152-T194 VanDerWaalsContact SD-CB 3.57Å; M152-T194 HydrophobicContact SD-CG2 4.44Å; M152-L198 HydrophobicContact CE-CB 4.37Å; M152-L198 HydrophobicContact CE-CD2 4.3Å; M152-W220 HydrophobicContact CE-CH2 4.01Å
153L98.9Very high98.3Very high20 Ų2047.8 Ų47.811%0.10530%0.303CS..EExtended strand (participates in β ladder)trans-79.8120.2172.3-177.567.7000108.8V109 I138 E142 V143 F168 L173 L191V109-L153 HydrophobicContact CG1-CD2 3.97Å; I138-L153 HydrophobicContact CG2-CD1 3.84Å; E142-L153 HydrophobicContact CG-CD1 4.23Å; V143-L153 HydrophobicContact CG2-CD1 3.82Å; L153-F168 WeakPolarHBondContact O-CD1 3.36Å; L153-L173 HydrophobicContact CD2-CB 4.12Å; L153-L191 HydrophobicContact CB-CD2 4.18Å; L153-L191 VanDerWaalsContact N-CD2 3.34Å
154L98.9Very high98.2Very high7 Ų751.4 Ų51.44%0.03732%0.321CS..  trans-76.9148.4172.3-65178.1000109.9S105 E142 V144 G156 F160 A161 F168S105-L154 WeakPolarHBondContact CB-O 3.2Å; S105-L154 PolarHBondContact OG-O 3.16Å; E142-L154 HydrophobicContact CB-CB 4.5Å; E142-L154 WeakPolarHBondContact O-CB 3.49Å; E142-L154 PolarHBondContact O-N 3.48Å; V144-L154 HydrophobicContact CB-CD1 4.48Å; V144-L154 HydrophobicContact CG1-CD1 3.64Å; V144-L154 HydrophobicContact CG1-CG 4.27Å; V144-L154 HydrophobicContact CG2-CD1 4.01Å; V144-L154 HydrophobicContact CG2-CD2 3.81Å; V144-L154 HydrophobicContact CG2-CG 3.86Å; L154-G156 PolarHBondContact O-N 3.09Å; L154-G156 VanDerWaalsContact O-N 3.14Å; L154-F160 HydrophobicContact CB-CB 4.47Å; L154-F160 HydrophobicContact CD2-CB 4.32Å; L154-A161 HydrophobicContact CD1-CB 4Å; L154-A161 HydrophobicContact CD2-CB 4.24Å; L154-F168 HydrophobicContact CD2-CE1 3.97Å
155P98.7Very high98.2Very high2 Ų250.2 Ų50.21%0.01332%0.315CS..SBendtrans-59.7-18.8175.1-27.835.8000115.6A104 S105 F160 R167 N169 Y172 W211A104-P155 WeakPolarHBondContact CA-O 3.38Å; S105-P155 PolarHBondContact N-O 2.8Å; S105-P155 WeakPolarHBondContact OG-CA 3.45Å; S105-P155 PolarHBondContact OG-O 3.29Å; P155-F160 HydrophobicContact CB-CD1 3.7Å; P155-F160 HydrophobicContact CB-CD2 3.98Å; P155-F160 HydrophobicContact CB-CE1 3.66Å; P155-F160 HydrophobicContact CB-CE2 3.93Å; P155-F160 HydrophobicContact CB-CG 3.86Å; P155-F160 HydrophobicContact CB-CZ 3.78Å; P155-F160 HydrophobicContact CG-CB 4.36Å; P155-F160 HydrophobicContact CG-CD1 3.7Å; P155-F160 HydrophobicContact CG-CE1 4.09Å; P155-F160 HydrophobicContact CG-CG 3.95Å; P155-R167 WeakPolarHBondContact CD-O 3.48Å; P155-R167 VanDerWaalsContact CG-O 3.28Å; P155-R167 WeakPolarHBondContact CG-O 3.41Å; P155-N169 HydrophobicContact CG-CB 4.35Å; P155-Y172 HydrophobicContact CB-CD2 4Å; P155-Y172 HydrophobicContact CB-CE2 3.56Å; P155-Y172 WeakPolarHBondContact O-CE2 3.29Å; P155-W211 HydrophobicContact CB-CH2 4.07Å; P155-W211 HydrophobicContact CB-CZ3 3.64Å; P155-W211 HydrophobicContact CG-CE3 4.41Å; P155-W211 HydrophobicContact CG-CZ3 3.65Å
156G98.5Very high98.2Very high0 Ų045.9 Ų45.90%029%0.286CS..SBendtrans-171.5169.4170.600000110.1S103 L154 V158S103-G156 WeakPolarHBondContact O-CA 3.32Å; L154-G156 PolarHBondContact O-N 3.09Å; L154-G156 VanDerWaalsContact O-N 3.14Å; G156-V158 VanDerWaalsContact C-N 3.27Å; G156-V158 PolarHBondContact O-N 3.28Å
157K98Very high98.2Very high80 Ų8049.8 Ų49.835%0.34830%0.301SS..SBendtrans-62-28.6-174.763.1169.9-171.6-175.70114.4L83 S101 N102 S103L83-K157 HydrophobicContact CD1-CB 4.45Å; S101-K157 WeakPolarHBondContact O-CE 3.4Å; S101-K157 PolarHBondContact O-NZ 3.37Å; N102-K157 WeakPolarHBondContact OD1-CG 3.35Å; S103-K157 PolarHBondContact OG-N 3.38Å
158V98Very high98.2Very high93 Ų9347.1 Ų47.156%0.56428%0.283SS*.SBendtrans-129143.6-179177.70000110.9N102 G156 F160N102-V158 PolarHBondContact ND2-O 3.45Å; N102-V158 PolarHBondContact OD1-N 2.91Å; N102-V158 VanDerWaalsContact OD1-N 3.1Å; G156-V158 VanDerWaalsContact C-N 3.27Å; G156-V158 PolarHBondContact O-N 3.28Å; V158-F160 VanDerWaalsContact O-CD2 3.29Å; V158-F160 WeakPolarHBondContact O-CD2 3.47Å; V158-F160 WeakPolarHBondContact O-CE2 3.11Å
159G97.7Very high98.3Very high72 Ų7244.7 Ų44.774%0.74226%0.256SS*.SBendtrans962.416600000116.6
160F98.4Very high98.3Very high37 Ų3743.9 Ų43.916%0.16225%0.252CS..SBendtrans-1200.7-176-58.6-81.4000114.9L154 P155 V158 W166 R167 W211L154-F160 HydrophobicContact CB-CB 4.47Å; L154-F160 HydrophobicContact CD2-CB 4.32Å; P155-F160 HydrophobicContact CB-CD1 3.7Å; P155-F160 HydrophobicContact CB-CD2 3.98Å; P155-F160 HydrophobicContact CB-CE1 3.66Å; P155-F160 HydrophobicContact CB-CE2 3.93Å; P155-F160 HydrophobicContact CB-CG 3.86Å; P155-F160 HydrophobicContact CB-CZ 3.78Å; P155-F160 HydrophobicContact CG-CB 4.36Å; P155-F160 HydrophobicContact CG-CD1 3.7Å; P155-F160 HydrophobicContact CG-CE1 4.09Å; P155-F160 HydrophobicContact CG-CG 3.95Å; V158-F160 VanDerWaalsContact O-CD2 3.29Å; V158-F160 WeakPolarHBondContact O-CD2 3.47Å; V158-F160 WeakPolarHBondContact O-CE2 3.11Å; F160-W166 WeakPolarHBondContact O-CA 3.4Å; F160-R167 HydrophobicContact CD1-CB 4.32Å; F160-R167 PolarHBondContact O-N 3.43Å; F160-W211 HydrophobicContact CD1-CZ3 4.19Å; F160-W211 HydrophobicContact CE1-CH2 4.04Å; F160-W211 AromaticContact CE1-CZ3 3.62Å; F160-W211 HydrophobicContact CE1-CZ3 3.62Å; F160-W211 HydrophobicContact CZ-CH2 4.48Å; F160-W211 HydrophobicContact CZ-CZ3 4.43Å
161A98.2Very high98.3Very high49 Ų4942.9 Ų42.941%0.40524%0.242SC..BIsolated β-bridgetrans-128.9125.4175.400000109.5L154L154-A161 HydrophobicContact CD1-CB 4Å; L154-A161 HydrophobicContact CD2-CB 4.24Å
162E97.6Very high98.3Very high137 Ų13743.2 Ų43.264%0.6424%0.24SC*.  trans-114.5176.3168.8-61174.2177.900108.7N164 S165E162-N164 PolarHBondContact O-N 3.05Å; E162-N164 VanDerWaalsContact O-N 3.16Å; E162-S165 PolarHBondContact N-O 3.14Å; E162-S165 PolarHBondContact OE2-OG 2.93Å
163D96Very high98.3Very high153 Ų15343.3 Ų43.382%0.81824%0.241SC*.SBendtrans-56.3-36.4-175.8-68.9-11.6000114
164N97.6Very high98.3Very high95 Ų9542.4 Ų42.451%0.50824%0.236SC..SBendtrans-1317.4-175.1-63.2-60.5000113.4E162 E215 K216E162-N164 PolarHBondContact O-N 3.05Å; E162-N164 VanDerWaalsContact O-N 3.16Å; N164-E215 WeakPolarHBondContact O-CA 3.35Å; N164-K216 HydrophobicContact CB-CB 4.23Å; N164-K216 PolarHBondContact O-N 2.77Å; N164-K216 WeakPolarHBondContact OD1-CD 3.42Å
165S98.2Very high98.3Very high19 Ų1942.2 Ų42.213%0.13324%0.235CC..EExtended strand (participates in β ladder)trans-142.4143.8-176.297.30000111.3E162 Y214E162-S165 PolarHBondContact N-O 3.14Å; E162-S165 PolarHBondContact OE2-OG 2.93Å; S165-Y214 WeakPolarHBondContact CA-O 3.37Å
166W98.7Very high98.3Very high19 Ų1942.2 Ų42.27%0.07224%0.235CC..EExtended strand (participates in β ladder)trans-133.9145.9175.9-58.4-92.7000109.6V146 P147 F160 F168 R213 Y214 K216V146-W166 HydrophobicContact CB-CD2 4.41Å; V146-W166 HydrophobicContact CG1-CD2 3.75Å; V146-W166 HydrophobicContact CG1-CE3 3.51Å; V146-W166 HydrophobicContact CG1-CG 4.48Å; V146-W166 HydrophobicContact CG1-CH2 4.08Å; V146-W166 HydrophobicContact CG1-CZ2 4.27Å; V146-W166 HydrophobicContact CG1-CZ3 3.68Å; V146-W166 HydrophobicContact CG2-CD2 3.92Å; V146-W166 HydrophobicContact CG2-CG 3.98Å; P147-W166 VanDerWaalsContact CD-CH2 3.46Å; P147-W166 HydrophobicContact CG-CH2 4.2Å; F160-W166 WeakPolarHBondContact O-CA 3.4Å; W166-F168 HydrophobicContact CB-CD2 4.49Å; W166-F168 HydrophobicContact CB-CE1 4.15Å; W166-F168 HydrophobicContact CB-CE2 3.56Å; W166-F168 HydrophobicContact CB-CZ 3.32Å; W166-F168 HydrophobicContact CG-CZ 4.01Å; W166-R213 CarbonylContact O-C 3.52Å; W166-R213 VanDerWaalsContact O-CA 3.23Å; W166-R213 WeakPolarHBondContact O-CA 3.42Å; W166-Y214 AromaticContact CE3-CD1 3.85Å; W166-Y214 HydrophobicContact CE3-CD1 3.85Å; W166-Y214 HydrophobicContact CZ3-CD1 4.05Å; W166-Y214 HydrophobicContact CZ3-CE1 4.45Å; W166-Y214 PolarHBondContact N-O 3.16Å; W166-Y214 PolarHBondContact O-N 3.4Å; W166-K216 HydrophobicContact CH2-CB 4.12Å; W166-K216 HydrophobicContact CZ3-CB 3.96Å
167R98.6Very high98.4Very high83 Ų8342.2 Ų42.231%0.31324%0.235SC..EExtended strand (participates in β ladder)trans-115.1128.7176-170.5-179.6-174-157.2-4.4109.5P155 F160 W211 R213P155-R167 WeakPolarHBondContact CD-O 3.48Å; P155-R167 VanDerWaalsContact CG-O 3.28Å; P155-R167 WeakPolarHBondContact CG-O 3.41Å; F160-R167 HydrophobicContact CD1-CB 4.32Å; F160-R167 PolarHBondContact O-N 3.43Å; R167-W211 HydrophobicContact CG-CE3 4.08Å; R167-R213 HydrophobicContact CB-CG 4.34Å; R167-R213 HydrophobicContact CG-CG 4.24Å
168F98.8Very high98.4Very high1 Ų138.5 Ų38.50%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-122.2157.9-178.9-55.3-70.7000111.3V146 L149 M152 L153 L154 W166 L198 W211 V212 W220V146-F168 HydrophobicContact CG2-CZ 4Å; L149-F168 HydrophobicContact CD1-CE2 4.49Å; M152-F168 HydrophobicContact CB-CD1 4.44Å; M152-F168 HydrophobicContact CB-CE1 3.56Å; M152-F168 HydrophobicContact CB-CZ 3.87Å; M152-F168 HydrophobicContact CE-CD1 3.74Å; M152-F168 HydrophobicContact CE-CD2 3.94Å; M152-F168 HydrophobicContact CE-CE1 3.73Å; M152-F168 HydrophobicContact CE-CE2 3.89Å; M152-F168 HydrophobicContact CE-CG 3.84Å; M152-F168 HydrophobicContact CE-CZ 3.81Å; M152-F168 HydrophobicContact CG-CE1 4.17Å; M152-F168 HydrophobicContact CG-CZ 4.03Å; L153-F168 WeakPolarHBondContact O-CD1 3.36Å; L154-F168 HydrophobicContact CD2-CE1 3.97Å; W166-F168 HydrophobicContact CB-CD2 4.49Å; W166-F168 HydrophobicContact CB-CE1 4.15Å; W166-F168 HydrophobicContact CB-CE2 3.56Å; W166-F168 HydrophobicContact CB-CZ 3.32Å; W166-F168 HydrophobicContact CG-CZ 4.01Å; F168-L198 HydrophobicContact CB-CD1 4.05Å; F168-L198 HydrophobicContact CB-CD2 4.24Å; F168-W211 WeakPolarHBondContact O-CA 3.45Å; F168-V212 HydrophobicContact CB-CG1 4.36Å; F168-V212 PolarHBondContact N-O 2.95Å; F168-V212 PolarHBondContact O-N 2.93Å; F168-W220 HydrophobicContact CD2-CH2 4.4Å; F168-W220 AromaticContact CD2-CZ3 3.81Å; F168-W220 HydrophobicContact CD2-CZ3 3.81Å; F168-W220 HydrophobicContact CE2-CZ3 4.14Å
169N98.8Very high98.4Very high7 Ų735.5 Ų35.54%0.03720%0.2CC..  trans-120.9109.1171.8-170.8-43.8000108.6P155 S171 Y172 D210 W211 D233P155-N169 HydrophobicContact CG-CB 4.35Å; N169-S171 PolarHBondContact O-N 2.91Å; N169-S171 VanDerWaalsContact O-N 3.08Å; N169-S171 WeakPolarHBondContact OD1-CB 3.42Å; N169-S171 PolarHBondContact OD1-N 3.43Å; N169-S171 PolarHBondContact OD1-OG 3.14Å; N169-Y172 HydrophobicContact CB-CD1 3.46Å; N169-Y172 VanDerWaalsContact CB-CD1 3.46Å; N169-Y172 HydrophobicContact CB-CD2 4.09Å; N169-Y172 HydrophobicContact CB-CE1 3.59Å; N169-Y172 HydrophobicContact CB-CE2 4.23Å; N169-Y172 HydrophobicContact CB-CG 3.71Å; N169-Y172 WeakPolarHBondContact ND2-CE1 3.39Å; N169-Y172 WeakPolarHBondContact O-CB 3.36Å; N169-Y172 PolarHBondContact O-N 2.91Å; N169-Y172 WeakPolarHBondContact OD1-CD1 3.38Å; N169-D210 PolarHBondContact ND2-O 3.29Å; N169-D210 PolarHBondContact OD1-O 3.44Å; N169-W211 HydrophobicContact CB-CD2 4.39Å; N169-W211 HydrophobicContact CB-CE3 3.92Å; N169-W211 HydrophobicContact CB-CH2 4.19Å; N169-W211 HydrophobicContact CB-CZ3 3.84Å; N169-W211 VanDerWaalsContact ND2-CZ2 3.31Å; N169-W211 WeakPolarHBondContact ND2-CZ2 3.44Å; N169-D233 PolarHBondContact ND2-OD1 2.78Å
170P98.9Very high98.5Very high2 Ų232.4 Ų32.41%0.01317%0.165CC..THydrogen-bonded Turntrans-56.7-21.7-179.7-29.137.4000115.1Y172 L198 L199 S208 P209 V212 V237P170-Y172 VanDerWaalsContact C-N 3.32Å; P170-Y172 PolarHBondContact O-N 3.04Å; P170-L198 HydrophobicContact CB-CG 4.44Å; P170-L198 HydrophobicContact CG-CD1 4.23Å; P170-L198 HydrophobicContact CG-CG 4.32Å; P170-L199 HydrophobicContact CB-CD2 3.98Å; P170-L199 WeakPolarHBondContact O-CD2 3.28Å; P170-S208 WeakPolarHBondContact CB-OG 3.5Å; P170-P209 VanDerWaalsContact CD-O 3.25Å; P170-P209 WeakPolarHBondContact CD-O 3.46Å; P170-P209 HydrophobicContact CG-CG 3.95Å; P170-P209 VanDerWaalsContact CG-O 3.29Å; P170-P209 WeakPolarHBondContact CG-O 3.46Å; P170-V212 HydrophobicContact CG-CG1 4.08Å; P170-V237 HydrophobicContact CB-CG2 3.97Å
171S98.8Very high98.5Very high1 Ų130.7 Ų30.71%0.00716%0.158CC..THydrogen-bonded Turntrans-80.6-10.3-177.4730000114.8N169 D233 R236 W240N169-S171 PolarHBondContact O-N 2.91Å; N169-S171 VanDerWaalsContact O-N 3.08Å; N169-S171 WeakPolarHBondContact OD1-CB 3.42Å; N169-S171 PolarHBondContact OD1-N 3.43Å; N169-S171 PolarHBondContact OD1-OG 3.14Å; S171-D233 WeakPolarHBondContact CB-O 3.49Å; S171-D233 PolarHBondContact OG-O 3.38Å; S171-R236 PolarHBondContact OG-NH2 3.46Å; S171-W240 PolarHBondContact O-NE1 3.06Å; S171-W240 VanDerWaalsContact O-NE1 3.12Å
172Y98.8Very high98.5Very high27 Ų2729.9 Ų29.911%0.10615%0.148CC..SBendtrans-81-27.6-164.4-82.424000114.9S105 D106 V109 P155 N169 P170 P174 W211S105-Y172 WeakPolarHBondContact OG-CD2 3.39Å; D106-Y172 HydrophobicContact CB-CD1 3.73Å; D106-Y172 HydrophobicContact CB-CD2 3.82Å; D106-Y172 HydrophobicContact CB-CE1 4.18Å; D106-Y172 HydrophobicContact CB-CE2 4.23Å; D106-Y172 HydrophobicContact CB-CG 3.56Å; V109-Y172 WeakPolarHBondContact CG2-O 3.21Å; P155-Y172 HydrophobicContact CB-CD2 4Å; P155-Y172 HydrophobicContact CB-CE2 3.56Å; P155-Y172 WeakPolarHBondContact O-CE2 3.29Å; N169-Y172 HydrophobicContact CB-CD1 3.46Å; N169-Y172 VanDerWaalsContact CB-CD1 3.46Å; N169-Y172 HydrophobicContact CB-CD2 4.09Å; N169-Y172 HydrophobicContact CB-CE1 3.59Å; N169-Y172 HydrophobicContact CB-CE2 4.23Å; N169-Y172 HydrophobicContact CB-CG 3.71Å; N169-Y172 WeakPolarHBondContact ND2-CE1 3.39Å; N169-Y172 WeakPolarHBondContact O-CB 3.36Å; N169-Y172 PolarHBondContact O-N 2.91Å; N169-Y172 WeakPolarHBondContact OD1-CD1 3.38Å; P170-Y172 VanDerWaalsContact C-N 3.32Å; P170-Y172 PolarHBondContact O-N 3.04Å; Y172-P174 WeakPolarHBondContact O-CD 3.06Å; Y172-W211 WeakPolarHBondContact OH-CH2 3.32Å
173L98.9Very high98.6Very high6 Ų628.3 Ų28.33%0.03114%0.136CC..SBendtrans-119.994.4178.4-173.261.3000110.7V109 L153 L177 A178 F181 N195V109-L173 HydrophobicContact CB-CD1 4.45Å; V109-L173 HydrophobicContact CG1-CD1 4.38Å; V109-L173 HydrophobicContact CG2-CD1 4.29Å; L153-L173 HydrophobicContact CD2-CB 4.12Å; L173-L177 HydrophobicContact CD1-CB 4.23Å; L173-A178 HydrophobicContact CD1-CB 4.43Å; L173-A178 HydrophobicContact CD2-CB 3.91Å; L173-A178 HydrophobicContact CG-CB 3.96Å; L173-F181 HydrophobicContact CD1-CE2 4.45Å; L173-N195 HydrophobicContact CD2-CB 4.14Å; L173-N195 PolarHBondContact O-ND2 3.31Å
174P98.9Very high98.7Very high0 Ų024.8 Ų24.80%011%0.114CC..  trans-53.8136172.7-22.730.5000111W110 Y172 T176 L177 A178 W240W110-P174 HydrophobicContact CZ2-CB 4.32Å; W110-P174 HydrophobicContact CZ2-CG 3.5Å; Y172-P174 WeakPolarHBondContact O-CD 3.06Å; P174-T176 PolarHBondContact O-N 3.11Å; P174-T176 VanDerWaalsContact O-N 3.14Å; P174-L177 HydrophobicContact CB-CB 4.31Å; P174-L177 HydrophobicContact CB-CD1 4.43Å; P174-L177 HydrophobicContact CG-CD2 4.19Å; P174-L177 PolarHBondContact O-N 3.39Å; P174-A178 PolarHBondContact O-N 2.81Å; P174-W240 HydrophobicContact CB-CB 4.06Å; P174-W240 HydrophobicContact CB-CD2 4.07Å; P174-W240 HydrophobicContact CB-CG 3.8Å; P174-W240 HydrophobicContact CG-CD2 3.93Å; P174-W240 HydrophobicContact CG-CG 3.98Å; P174-W240 HydrophobicContact CG-CZ2 4.46Å
175P98.9Very high98.8Very high3 Ų321.7 Ų21.72%0.01910%0.104CC..Hα-helixtrans-57.1-30.8179.7-2936.7000114.1A178 Q179 L199 M244 M254P175-A178 PolarHBondContact O-N 2.91Å; P175-Q179 WeakPolarHBondContact O-CB 3.27Å; P175-Q179 PolarHBondContact O-N 2.98Å; P175-L199 HydrophobicContact CG-CD1 3.81Å; P175-M244 HydrophobicContact CB-CE 3.75Å; P175-M244 HydrophobicContact CB-CG 4.08Å; P175-M244 HydrophobicContact CB-SD 3.65Å; P175-M244 HydrophobicContact CG-CE 4.5Å; P175-M244 HydrophobicContact CG-SD 3.87Å; P175-M254 HydrophobicContact CB-CE 4.46Å; P175-M254 HydrophobicContact CB-SD 4.47Å; P175-M254 HydrophobicContact CG-CE 4.11Å; P175-M254 HydrophobicContact CG-SD 3.89Å
176T98.9Very high98.7Very high2 Ų224.8 Ų24.81%0.01213%0.131CC..Hα-helixtrans-65.9-42.7174.949.90000112.2P174 Q179 Y180 M244 F340 G344P174-T176 PolarHBondContact O-N 3.11Å; P174-T176 VanDerWaalsContact O-N 3.14Å; T176-Q179 PolarHBondContact O-N 3.38Å; T176-Y180 WeakPolarHBondContact O-CB 3.37Å; T176-Y180 PolarHBondContact O-N 2.91Å; T176-M244 HydrophobicContact CG2-CG 4.22Å; T176-F340 HydrophobicContact CG2-CB 3.76Å; T176-F340 HydrophobicContact CG2-CD2 3.89Å; T176-F340 HydrophobicContact CG2-CG 3.81Å; T176-G344 VanDerWaalsContact O-CA 3.31Å; T176-G344 WeakPolarHBondContact O-CA 3.32Å
177L98.9Very high98.7Very high0 Ų025 Ų250%014%0.135CC..Hα-helixtrans-66-43.1173.1-94.160000111.2V109 W110 W113 L173 P174 Q179 Y180 F181V109-L177 HydrophobicContact CB-CD2 4.48Å; V109-L177 HydrophobicContact CG2-CD2 4.18Å; W110-L177 HydrophobicContact CD2-CD2 3.8Å; W110-L177 HydrophobicContact CE3-CD1 4.32Å; W110-L177 HydrophobicContact CE3-CD2 4.07Å; W110-L177 HydrophobicContact CG-CD2 4.05Å; W110-L177 HydrophobicContact CH2-CD1 4.06Å; W110-L177 HydrophobicContact CZ2-CD1 4.42Å; W110-L177 HydrophobicContact CZ3-CD1 3.99Å; W113-L177 HydrophobicContact CB-CD1 4.38Å; W113-L177 HydrophobicContact CB-CD2 3.97Å; W113-L177 HydrophobicContact CB-CG 3.85Å; W113-L177 HydrophobicContact CD2-CD1 3.94Å; W113-L177 HydrophobicContact CD2-CG 4.36Å; W113-L177 HydrophobicContact CG-CD1 3.74Å; W113-L177 HydrophobicContact CG-CD2 4.23Å; W113-L177 HydrophobicContact CG-CG 3.64Å; L173-L177 HydrophobicContact CD1-CB 4.23Å; P174-L177 HydrophobicContact CB-CB 4.31Å; P174-L177 HydrophobicContact CB-CD1 4.43Å; P174-L177 HydrophobicContact CG-CD2 4.19Å; P174-L177 PolarHBondContact O-N 3.39Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.07Å; L177-Y180 WeakPolarHBondContact O-CB 3.43Å; L177-Y180 PolarHBondContact O-N 3.32Å; L177-Y180 VanDerWaalsContact O-N 3.11Å; L177-F181 HydrophobicContact CB-CE2 4.03Å; L177-F181 HydrophobicContact CG-CE2 4.33Å; L177-F181 WeakPolarHBondContact O-CD2 3.37Å; L177-F181 WeakPolarHBondContact O-CG 3.47Å; L177-F181 PolarHBondContact O-N 2.94Å
178A98.9Very high98.8Very high3 Ų321.5 Ų21.53%0.02512%0.122CC..Hα-helixtrans-56.4-46.1175.200000111.5L173 P174 P175 T182 R192L173-A178 HydrophobicContact CD1-CB 4.43Å; L173-A178 HydrophobicContact CD2-CB 3.91Å; L173-A178 HydrophobicContact CG-CB 3.96Å; P174-A178 PolarHBondContact O-N 2.81Å; P175-A178 PolarHBondContact O-N 2.91Å; A178-T182 WeakPolarHBondContact O-CG2 3.49Å; A178-R192 HydrophobicContact CB-CB 4.36Å; A178-R192 HydrophobicContact CB-CG 4.39Å
179Q98.8Very high98.7Very high30 Ų3024.7 Ų24.714%0.1414%0.141CC..Hα-helixtrans-62.8-43.1174.4175.858.982.300111.8P175 T176 L177 F181 T182 R192 T342P175-Q179 WeakPolarHBondContact O-CB 3.27Å; P175-Q179 PolarHBondContact O-N 2.98Å; T176-Q179 PolarHBondContact O-N 3.38Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.07Å; Q179-F181 PolarHBondContact O-N 2.99Å; Q179-T182 PolarHBondContact NE2-OG1 3.09Å; Q179-T182 PolarHBondContact O-N 3.29Å; Q179-T182 PolarHBondContact O-OG1 2.92Å; Q179-R192 VanDerWaalsContact OE1-NH1 3.13Å; Q179-T342 WeakPolarHBondContact CG-O 3.43Å
180Y98.9Very high98.7Very high7 Ų727 Ų273%0.02716%0.156CC..Hα-helixtrans-57.1-48.1178.5-177-96.7000112.4W113 L116 E117 T176 L177 T182 R183 F184 K343 G344 E345W113-Y180 AromaticContact CD1-CD1 3.42Å; W113-Y180 VanDerWaalsContact CD1-CD1 3.42Å; W113-Y180 AromaticContact CD1-CE1 4Å; W113-Y180 AromaticContact CD1-CG 3.52Å; W113-Y180 HydrophobicContact CG-CD1 4.44Å; W113-Y180 AromaticContact NE1-CD1 3.85Å; W113-Y180 AromaticContact NE1-CD2 3.76Å; W113-Y180 AromaticContact NE1-CG 3.48Å; L116-Y180 HydrophobicContact CB-CE1 4.02Å; L116-Y180 WeakPolarHBondContact CB-OH 3.48Å; L116-Y180 HydrophobicContact CD1-CE1 4.02Å; E117-Y180 VanDerWaalsContact CD-CE2 3.45Å; E117-Y180 HydrophobicContact CG-CE2 3.94Å; E117-Y180 WeakPolarHBondContact OE1-CE2 3.17Å; E117-Y180 PolarHBondContact OE1-OH 3.34Å; T176-Y180 WeakPolarHBondContact O-CB 3.37Å; T176-Y180 PolarHBondContact O-N 2.91Å; L177-Y180 WeakPolarHBondContact O-CB 3.43Å; L177-Y180 PolarHBondContact O-N 3.32Å; L177-Y180 VanDerWaalsContact O-N 3.11Å; Y180-T182 VanDerWaalsContact C-N 3.27Å; Y180-T182 PolarHBondContact O-N 3.39Å; Y180-R183 VanDerWaalsContact O-CG 3.29Å; Y180-R183 WeakPolarHBondContact O-CG 3.5Å; Y180-R183 PolarHBondContact O-N 3.17Å; Y180-R183 PolarHBondContact O-NE 3.37Å; Y180-F184 HydrophobicContact CE1-CE2 4.09Å; Y180-K343 VanDerWaalsContact CA-O 3.29Å; Y180-K343 WeakPolarHBondContact CA-O 3.25Å; Y180-G344 WeakPolarHBondContact CD2-O 3.45Å; Y180-E345 HydrophobicContact CD2-CG 3.94Å; Y180-E345 HydrophobicContact CE2-CG 3.71Å
181F98.9Very high98.7Very high0 Ų027 Ų270%016%0.155CC..Hα-helixtrans-71.4-17.7-174.2-62.1-46.6000114.4V109 A112 W113 L116 L135 L173 L177 Q179 R183 F184 W188V109-F181 HydrophobicContact CB-CE2 4.03Å; V109-F181 HydrophobicContact CB-CZ 4.42Å; V109-F181 HydrophobicContact CG1-CE2 4.39Å; V109-F181 WeakPolarHBondContact O-CZ 3.41Å; A112-F181 HydrophobicContact CB-CZ 4.48Å; W113-F181 HydrophobicContact CB-CE1 4.13Å; W113-F181 HydrophobicContact CB-CZ 3.77Å; L116-F181 HydrophobicContact CD1-CE1 4.15Å; L135-F181 HydrophobicContact CD1-CD1 3.53Å; L135-F181 HydrophobicContact CD1-CD2 4.18Å; L135-F181 HydrophobicContact CD1-CE1 3.49Å; L135-F181 VanDerWaalsContact CD1-CE1 3.49Å; L135-F181 HydrophobicContact CD1-CE2 4.13Å; L135-F181 HydrophobicContact CD1-CG 3.9Å; L135-F181 HydrophobicContact CD1-CZ 3.79Å; L135-F181 HydrophobicContact CD2-CD1 3.54Å; L135-F181 HydrophobicContact CD2-CE1 4.01Å; L135-F181 HydrophobicContact CD2-CG 4.26Å; L135-F181 HydrophobicContact CG-CD1 4.21Å; L135-F181 HydrophobicContact CG-CE1 4.39Å; L173-F181 HydrophobicContact CD1-CE2 4.45Å; L177-F181 HydrophobicContact CB-CE2 4.03Å; L177-F181 HydrophobicContact CG-CE2 4.33Å; L177-F181 WeakPolarHBondContact O-CD2 3.37Å; L177-F181 WeakPolarHBondContact O-CG 3.47Å; L177-F181 PolarHBondContact O-N 2.94Å; Q179-F181 PolarHBondContact O-N 2.99Å; F181-R183 PolarHBondContact O-N 3.46Å; F181-F184 HydrophobicContact CD1-CD2 4.36Å; F181-F184 HydrophobicContact CD1-CE2 4.35Å; F181-F184 WeakPolarHBondContact O-CD2 3.44Å; F181-F184 PolarHBondContact O-N 3.15Å; F181-W188 VanDerWaalsContact C-CB 3.48Å; F181-W188 HydrophobicContact CB-CB 3.84Å; F181-W188 HydrophobicContact CB-CD2 3.61Å; F181-W188 HydrophobicContact CB-CE3 3.56Å; F181-W188 HydrophobicContact CB-CG 3.72Å; F181-W188 HydrophobicContact CB-CZ3 4.37Å; F181-W188 AromaticContact CD2-CE3 3.84Å; F181-W188 HydrophobicContact CD2-CE3 3.84Å; F181-W188 AromaticContact CD2-CZ3 3.85Å; F181-W188 HydrophobicContact CD2-CZ3 3.85Å; F181-W188 HydrophobicContact CE2-CZ3 4.45Å; F181-W188 HydrophobicContact CG-CD2 4.27Å; F181-W188 AromaticContact CG-CE3 3.95Å; F181-W188 HydrophobicContact CG-CE3 3.95Å; F181-W188 HydrophobicContact CG-CZ3 4.28Å; F181-W188 WeakPolarHBondContact O-CB 3.38Å
182T98.8Very high98.7Very high32 Ų3229.4 Ų29.420%0.19616%0.164CC..G310 helixtrans-54-25.6175.963.30000113.6A178 Q179 Y180 F184 G185 R192A178-T182 WeakPolarHBondContact O-CG2 3.49Å; Q179-T182 PolarHBondContact NE2-OG1 3.09Å; Q179-T182 PolarHBondContact O-N 3.29Å; Q179-T182 PolarHBondContact O-OG1 2.92Å; Y180-T182 VanDerWaalsContact C-N 3.27Å; Y180-T182 PolarHBondContact O-N 3.39Å; T182-F184 PolarHBondContact O-N 2.7Å; T182-F184 VanDerWaalsContact O-N 3.15Å; T182-G185 PolarHBondContact O-N 3.3Å; T182-G185 VanDerWaalsContact O-N 3.09Å; T182-R192 HydrophobicContact CG2-CB 3.93Å; T182-R192 HydrophobicContact CG2-CG 4.38Å
183R98.7Very high98.7Very high105 Ų10532.6 Ų32.640%0.39618%0.18SC..G310 helixtrans-60.9-19.617576.2-175.962.7-148.4-10.2114.1Y180 F181 K343 E345Y180-R183 VanDerWaalsContact O-CG 3.29Å; Y180-R183 WeakPolarHBondContact O-CG 3.5Å; Y180-R183 PolarHBondContact O-N 3.17Å; Y180-R183 PolarHBondContact O-NE 3.37Å; F181-R183 PolarHBondContact O-N 3.46Å; R183-K343 PolarHBondContact NH2-O 2.92Å; R183-E345 IonicContact CZ-OE1 3.65Å; R183-E345 VanDerWaalsContact CZ-OE1 3.28Å; R183-E345 IonicContact NH1-OE1 3.87Å; R183-E345 PolarHBondContact NH1-OE1 3.07Å; R183-E345 IonicContact NH2-OE1 3.95Å; R183-E345 PolarHBondContact NH2-OE1 2.9Å
184F98.7Very high98.7Very high79 Ų7932.6 Ų32.635%0.34618%0.18SC..G310 helixtrans-95.47.4179-58.3-76.7000113.1L116 L135 Y180 F181 T182L116-F184 HydrophobicContact CD1-CE2 3.75Å; L116-F184 HydrophobicContact CD1-CZ 3.76Å; L116-F184 HydrophobicContact CD2-CZ 3.97Å; L116-F184 HydrophobicContact CG-CZ 4.44Å; L135-F184 HydrophobicContact CD2-CB 4.28Å; L135-F184 HydrophobicContact CD2-CD2 3.33Å; L135-F184 HydrophobicContact CD2-CE2 3.71Å; L135-F184 HydrophobicContact CD2-CG 3.81Å; L135-F184 HydrophobicContact CD2-CZ 4.45Å; Y180-F184 HydrophobicContact CE1-CE2 4.09Å; F181-F184 HydrophobicContact CD1-CD2 4.36Å; F181-F184 HydrophobicContact CD1-CE2 4.35Å; F181-F184 WeakPolarHBondContact O-CD2 3.44Å; F181-F184 PolarHBondContact O-N 3.15Å; T182-F184 PolarHBondContact O-N 2.7Å; T182-F184 VanDerWaalsContact O-N 3.15Å
185G98.5Very high98.7Very high29 Ų2933 Ų3330%0.29918%0.183SC..  trans76.2-148.1176.300000113.5T182 W188 T189T182-G185 PolarHBondContact O-N 3.3Å; T182-G185 VanDerWaalsContact O-N 3.09Å; G185-W188 WeakPolarHBondContact O-CA 3.23Å; G185-W188 VanDerWaalsContact O-CB 3.27Å; G185-W188 WeakPolarHBondContact O-CB 3.34Å; G185-W188 PolarHBondContact O-N 3.33Å; G185-T189 PolarHBondContact O-N 2.93Å
186A97.9Very high98.7Very high85 Ų8534.2 Ų34.270%0.70219%0.188SC*.THydrogen-bonded Turntrans-66.6145.617900000111.7W188A186-W188 VanDerWaalsContact C-N 3.35Å
187P98.7Very high98.7Very high24 Ų2438.1 Ų38.116%0.15620%0.202CC..THydrogen-bonded Turncis-85.12-0.835.1-35.5000114A139 V143 T189 T190 L191A139-P187 HydrophobicContact CB-CG 3.82Å; V143-P187 HydrophobicContact CB-CG 4.44Å; V143-P187 HydrophobicContact CG1-CB 4.06Å; V143-P187 HydrophobicContact CG1-CG 3.89Å; P187-T189 VanDerWaalsContact C-N 3.34Å; P187-T189 PolarHBondContact O-N 2.87Å; P187-T190 PolarHBondContact O-N 3.2Å; P187-T190 VanDerWaalsContact O-N 3.12Å; P187-L191 HydrophobicContact CB-CD1 4.26Å; P187-L191 HydrophobicContact CB-CG 4.49Å; P187-L191 HydrophobicContact CG-CD1 4Å; P187-L191 WeakPolarHBondContact O-CG 3.49Å; P187-L191 PolarHBondContact O-N 3.24Å
188W98.8Very high98.7Very high9 Ų938.5 Ų38.53%0.03420%0.204CC..Hα-helixtrans-64.2-33.6-169.2-52.8104.6000114.5L135 I138 A139 F181 G185 A186 L191 R192L135-W188 HydrophobicContact CD1-CD2 4.4Å; L135-W188 HydrophobicContact CD1-CE3 4.49Å; L135-W188 HydrophobicContact CD1-CH2 3.31Å; L135-W188 HydrophobicContact CD1-CZ2 3.18Å; L135-W188 HydrophobicContact CD1-CZ3 3.99Å; L135-W188 HydrophobicContact CD2-CZ2 4.31Å; L135-W188 HydrophobicContact CG-CH2 4.09Å; L135-W188 HydrophobicContact CG-CZ2 3.42Å; L135-W188 VanDerWaalsContact CG-CZ2 3.42Å; L135-W188 WeakPolarHBondContact O-CZ2 3.35Å; I138-W188 HydrophobicContact CB-CH2 4.24Å; I138-W188 HydrophobicContact CG2-CH2 3.69Å; I138-W188 HydrophobicContact CG2-CZ2 4.44Å; A139-W188 HydrophobicContact CB-CZ2 3.88Å; F181-W188 VanDerWaalsContact C-CB 3.48Å; F181-W188 HydrophobicContact CB-CB 3.84Å; F181-W188 HydrophobicContact CB-CD2 3.61Å; F181-W188 HydrophobicContact CB-CE3 3.56Å; F181-W188 HydrophobicContact CB-CG 3.72Å; F181-W188 HydrophobicContact CB-CZ3 4.37Å; F181-W188 AromaticContact CD2-CE3 3.84Å; F181-W188 HydrophobicContact CD2-CE3 3.84Å; F181-W188 AromaticContact CD2-CZ3 3.85Å; F181-W188 HydrophobicContact CD2-CZ3 3.85Å; F181-W188 HydrophobicContact CE2-CZ3 4.45Å; F181-W188 HydrophobicContact CG-CD2 4.27Å; F181-W188 AromaticContact CG-CE3 3.95Å; F181-W188 HydrophobicContact CG-CE3 3.95Å; F181-W188 HydrophobicContact CG-CZ3 4.28Å; F181-W188 WeakPolarHBondContact O-CB 3.38Å; G185-W188 WeakPolarHBondContact O-CA 3.23Å; G185-W188 VanDerWaalsContact O-CB 3.27Å; G185-W188 WeakPolarHBondContact O-CB 3.34Å; G185-W188 PolarHBondContact O-N 3.33Å; A186-W188 VanDerWaalsContact C-N 3.35Å; W188-L191 HydrophobicContact CD2-CD1 4.25Å; W188-L191 HydrophobicContact CE3-CD1 3.61Å; W188-L191 HydrophobicContact CZ3-CD1 3.78Å; W188-L191 PolarHBondContact O-N 3.44Å; W188-R192 PolarHBondContact O-N 3.29Å
189T98.5Very high98.7Very high67 Ų6738.5 Ų38.541%0.41120%0.204SC..Hα-helixtrans-60.1-45.3172.747.90000111.8G185 P187G185-T189 PolarHBondContact O-N 2.93Å; P187-T189 VanDerWaalsContact C-N 3.34Å; P187-T189 PolarHBondContact O-N 2.87Å
190T98.7Very high98.7Very high56 Ų5638.4 Ų38.434%0.34420%0.204SC..Hα-helixtrans-70.1-42.5175.7-56.30000111.5P187 R192 E193 T194P187-T190 PolarHBondContact O-N 3.2Å; P187-T190 VanDerWaalsContact O-N 3.12Å; T190-R192 VanDerWaalsContact C-N 3.26Å; T190-R192 PolarHBondContact O-N 3.44Å; T190-E193 PolarHBondContact O-N 2.97Å; T190-T194 HydrophobicContact CG2-CG2 4.02Å; T190-T194 PolarHBondContact O-N 2.93Å; T190-T194 PolarHBondContact O-OG1 3.1Å
191L98.8Very high98.7Very high2 Ų241.1 Ų41.11%0.0122%0.217CC..Hα-helixtrans-59-35.6-179.9-78168.9000112.8V143 S151 L153 P187 W188 E193 T194 N195V143-L191 HydrophobicContact CG1-CD1 4.08Å; V143-L191 HydrophobicContact CG1-CD2 4.19Å; V143-L191 HydrophobicContact CG1-CG 4.4Å; V143-L191 HydrophobicContact CG2-CD1 3.88Å; S151-L191 WeakPolarHBondContact O-CD2 3.44Å; L153-L191 HydrophobicContact CB-CD2 4.18Å; L153-L191 VanDerWaalsContact N-CD2 3.34Å; P187-L191 HydrophobicContact CB-CD1 4.26Å; P187-L191 HydrophobicContact CB-CG 4.49Å; P187-L191 HydrophobicContact CG-CD1 4Å; P187-L191 WeakPolarHBondContact O-CG 3.49Å; P187-L191 PolarHBondContact O-N 3.24Å; W188-L191 HydrophobicContact CD2-CD1 4.25Å; W188-L191 HydrophobicContact CE3-CD1 3.61Å; W188-L191 HydrophobicContact CZ3-CD1 3.78Å; W188-L191 PolarHBondContact O-N 3.44Å; L191-E193 VanDerWaalsContact C-N 3.32Å; L191-E193 PolarHBondContact O-N 2.89Å; L191-T194 WeakPolarHBondContact CA-OG1 3.32Å; L191-T194 PolarHBondContact O-OG1 3.05Å; L191-N195 WeakPolarHBondContact O-CB 3.4Å; L191-N195 PolarHBondContact O-N 3.31Å
192R98.7Very high98.7Very high51 Ų5141.1 Ų41.119%0.19222%0.217CC..Hα-helixtrans-59-44.6174.2-178.1-170.3169.4-158.34.4111.8A178 Q179 T182 W188 T190 Q196A178-R192 HydrophobicContact CB-CB 4.36Å; A178-R192 HydrophobicContact CB-CG 4.39Å; Q179-R192 VanDerWaalsContact OE1-NH1 3.13Å; T182-R192 HydrophobicContact CG2-CB 3.93Å; T182-R192 HydrophobicContact CG2-CG 4.38Å; W188-R192 PolarHBondContact O-N 3.29Å; T190-R192 VanDerWaalsContact C-N 3.26Å; T190-R192 PolarHBondContact O-N 3.44Å; R192-Q196 PolarHBondContact O-N 3.03Å
193E98.6Very high98.7Very high95 Ų9539.6 Ų39.644%0.44421%0.208SC..Hα-helixtrans-73.4-43-178.1-58.7-52.713500111.7T190 L191 N195 Q196 R197T190-E193 PolarHBondContact O-N 2.97Å; L191-E193 VanDerWaalsContact C-N 3.32Å; L191-E193 PolarHBondContact O-N 2.89Å; E193-N195 VanDerWaalsContact C-N 3.35Å; E193-Q196 WeakPolarHBondContact O-CB 3.48Å; E193-Q196 PolarHBondContact O-N 2.91Å; E193-R197 PolarHBondContact O-N 3.29Å
194T98.8Very high98.7Very high5 Ų537.2 Ų37.23%0.03121%0.206CC..Hα-helixtrans-71-30.317859.80000112.5L149 S151 M152 T190 L191 R197 L198L149-T194 WeakPolarHBondContact O-CG2 3.48Å; S151-T194 WeakPolarHBondContact O-CB 3.42Å; S151-T194 WeakPolarHBondContact O-CG2 3.28Å; S151-T194 PolarHBondContact O-OG1 3.12Å; M152-T194 VanDerWaalsContact SD-CB 3.57Å; M152-T194 HydrophobicContact SD-CG2 4.44Å; T190-T194 HydrophobicContact CG2-CG2 4.02Å; T190-T194 PolarHBondContact O-N 2.93Å; T190-T194 PolarHBondContact O-OG1 3.1Å; L191-T194 WeakPolarHBondContact CA-OG1 3.32Å; L191-T194 PolarHBondContact O-OG1 3.05Å; T194-R197 WeakPolarHBondContact O-CB 3.5Å; T194-R197 PolarHBondContact O-N 3.04Å; T194-L198 PolarHBondContact O-N 2.96Å
195N98.9Very high98.7Very high10 Ų1038.7 Ų38.75%0.05321%0.212CC..Hα-helixtrans-64.1-40.8170.1-170.547.7000111.3L173 L191 E193 R197 L198 L199L173-N195 HydrophobicContact CD2-CB 4.14Å; L173-N195 PolarHBondContact O-ND2 3.31Å; L191-N195 WeakPolarHBondContact O-CB 3.4Å; L191-N195 PolarHBondContact O-N 3.31Å; E193-N195 VanDerWaalsContact C-N 3.35Å; N195-R197 VanDerWaalsContact C-N 3.31Å; N195-R197 PolarHBondContact O-N 3.31Å; N195-L198 WeakPolarHBondContact O-CB 3.37Å; N195-L198 PolarHBondContact O-N 2.56Å; N195-L199 VanDerWaalsContact O-CG 3.31Å; N195-L199 WeakPolarHBondContact O-CG 3.46Å; N195-L199 PolarHBondContact O-N 3.13Å
196Q98.7Very high98.7Very high27 Ų2737.4 Ų37.413%0.12620%0.2CC..Hα-helixtrans-59.9-43.5171.4-176.2-172.1-61.700110.9R192 E193 L199 L200 Q250 M254R192-Q196 PolarHBondContact O-N 3.03Å; E193-Q196 WeakPolarHBondContact O-CB 3.48Å; E193-Q196 PolarHBondContact O-N 2.91Å; Q196-L199 PolarHBondContact O-N 2.88Å; Q196-L200 HydrophobicContact CG-CD1 3.65Å; Q196-L200 HydrophobicContact CG-CG 4.09Å; Q196-L200 WeakPolarHBondContact O-CB 3.36Å; Q196-L200 WeakPolarHBondContact O-CG 3.29Å; Q196-L200 PolarHBondContact O-N 3.47Å; Q196-Q250 VanDerWaalsContact OE1-NE2 3.11Å; Q196-M254 HydrophobicContact CB-CE 4.07Å; Q196-M254 HydrophobicContact CG-CE 3.85Å
197R98.7Very high98.7Very high84 Ų8434 Ų3432%0.31717%0.169SC..Hα-helixtrans-60-47175.6-68-171.564.6-156.4-11.3111.7G148 E193 T194 N195 L199 L200 E201G148-R197 PolarHBondContact O-NH1 2.92Å; E193-R197 PolarHBondContact O-N 3.29Å; T194-R197 WeakPolarHBondContact O-CB 3.5Å; T194-R197 PolarHBondContact O-N 3.04Å; N195-R197 VanDerWaalsContact C-N 3.31Å; N195-R197 PolarHBondContact O-N 3.31Å; R197-L199 PolarHBondContact O-N 3.38Å; R197-L200 PolarHBondContact O-N 2.95Å; R197-E201 WeakPolarHBondContact CB-OE1 3.46Å; R197-E201 WeakPolarHBondContact CG-OE1 3.41Å; R197-E201 IonicContact CZ-OE1 3.65Å; R197-E201 IonicContact CZ-OE2 2.78Å; R197-E201 IonicContact NE-OE1 3.46Å; R197-E201 PolarHBondContact NE-OE1 3.06Å; R197-E201 IonicContact NE-OE2 2.95Å; R197-E201 IonicContact NH2-OE1 2.9Å; R197-E201 PolarHBondContact NH2-OE1 3.3Å; R197-E201 IonicContact NH2-OE2 3.57Å; R197-E201 PolarHBondContact NH2-OE2 3.24Å; R197-E201 WeakPolarHBondContact O-CB 3.09Å; R197-E201 VanDerWaalsContact O-CG 3.28Å; R197-E201 WeakPolarHBondContact O-CG 3.46Å; R197-E201 PolarHBondContact O-N 2.97Å
198L98.9Very high98.7Very high8 Ų832.8 Ų32.84%0.04216%0.161CC..Hα-helixtrans-54.1-51.3175.8175.262.2000111.4M152 F168 P170 T194 N195 T202 V212 W220M152-L198 HydrophobicContact CE-CB 4.37Å; M152-L198 HydrophobicContact CE-CD2 4.3Å; F168-L198 HydrophobicContact CB-CD1 4.05Å; F168-L198 HydrophobicContact CB-CD2 4.24Å; P170-L198 HydrophobicContact CB-CG 4.44Å; P170-L198 HydrophobicContact CG-CD1 4.23Å; P170-L198 HydrophobicContact CG-CG 4.32Å; T194-L198 PolarHBondContact O-N 2.96Å; N195-L198 WeakPolarHBondContact O-CB 3.37Å; N195-L198 PolarHBondContact O-N 2.56Å; L198-T202 HydrophobicContact CD1-CG2 4.02Å; L198-T202 WeakPolarHBondContact O-CB 3.46Å; L198-T202 VanDerWaalsContact O-CG2 3.28Å; L198-T202 WeakPolarHBondContact O-CG2 2.97Å; L198-T202 PolarHBondContact O-N 3.41Å; L198-T202 PolarHBondContact O-OG1 3.21Å; L198-V212 HydrophobicContact CD1-CG1 3.68Å; L198-W220 HydrophobicContact CB-CH2 4.4Å; L198-W220 HydrophobicContact CD1-CH2 3.8Å; L198-W220 HydrophobicContact CD1-CZ3 3.85Å
199L98.8Very high98.7Very high3 Ų332.4 Ų32.42%0.01616%0.16CC..Hα-helixtrans-64.7-44-178.8-67.7177.4000112.4P170 P175 N195 Q196 R197 V237 M254 F258P170-L199 HydrophobicContact CB-CD2 3.98Å; P170-L199 WeakPolarHBondContact O-CD2 3.28Å; P175-L199 HydrophobicContact CG-CD1 3.81Å; N195-L199 VanDerWaalsContact O-CG 3.31Å; N195-L199 WeakPolarHBondContact O-CG 3.46Å; N195-L199 PolarHBondContact O-N 3.13Å; Q196-L199 PolarHBondContact O-N 2.88Å; R197-L199 PolarHBondContact O-N 3.38Å; L199-V237 HydrophobicContact CD2-CG1 3.7Å; L199-V237 HydrophobicContact CD2-CG2 4.25Å; L199-M254 HydrophobicContact CD1-CE 3.66Å; L199-M254 HydrophobicContact CD1-SD 3.98Å; L199-F258 HydrophobicContact CB-CZ 4.23Å; L199-F258 VanDerWaalsContact O-CZ 3.29Å; L199-F258 WeakPolarHBondContact O-CZ 3.34Å
200L98.8Very high98.7Very high28 Ų2829.6 Ų29.615%0.14714%0.142CC..Hα-helixtrans-81-34.4-175.5-66-176.9000113Q196 R197 R253 M254 R257Q196-L200 HydrophobicContact CG-CD1 3.65Å; Q196-L200 HydrophobicContact CG-CG 4.09Å; Q196-L200 WeakPolarHBondContact O-CB 3.36Å; Q196-L200 WeakPolarHBondContact O-CG 3.29Å; Q196-L200 PolarHBondContact O-N 3.47Å; R197-L200 PolarHBondContact O-N 2.95Å; L200-R253 HydrophobicContact CD1-CB 4.34Å; L200-M254 HydrophobicContact CD2-CB 4.5Å; L200-M254 HydrophobicContact CD2-CG 3.94Å; L200-R257 HydrophobicContact CD2-CB 3.75Å; L200-R257 HydrophobicContact CD2-CG 4.06Å; L200-R257 PolarHBondContact O-NE 3.15Å; L200-R257 PolarHBondContact O-NH2 3.05Å
201E98.8Very high98.7Very high64 Ų6428.7 Ų28.730%0.29913%0.133SC..Hα-helixtrans-88.3-17.6-170.6-63.9172.4-160.200112.7R197 W220R197-E201 WeakPolarHBondContact CB-OE1 3.46Å; R197-E201 WeakPolarHBondContact CG-OE1 3.41Å; R197-E201 IonicContact CZ-OE1 3.65Å; R197-E201 IonicContact CZ-OE2 2.78Å; R197-E201 IonicContact NE-OE1 3.46Å; R197-E201 PolarHBondContact NE-OE1 3.06Å; R197-E201 IonicContact NE-OE2 2.95Å; R197-E201 IonicContact NH2-OE1 2.9Å; R197-E201 PolarHBondContact NH2-OE1 3.3Å; R197-E201 IonicContact NH2-OE2 3.57Å; R197-E201 PolarHBondContact NH2-OE2 3.24Å; R197-E201 WeakPolarHBondContact O-CB 3.09Å; R197-E201 VanDerWaalsContact O-CG 3.28Å; R197-E201 WeakPolarHBondContact O-CG 3.46Å; R197-E201 PolarHBondContact O-N 2.97Å; E201-W220 VanDerWaalsContact CB-NE1 3.31Å; E201-W220 PolarHBondContact OE2-NE1 2.88Å
202T98.8Very high98.7Very high0 Ų028.6 Ų28.60%013%0.132CC..SBendtrans-100.63.8-173.666.50000115.2L198 P204 P209 V212 W220 L222 V277L198-T202 HydrophobicContact CD1-CG2 4.02Å; L198-T202 WeakPolarHBondContact O-CB 3.46Å; L198-T202 VanDerWaalsContact O-CG2 3.28Å; L198-T202 WeakPolarHBondContact O-CG2 2.97Å; L198-T202 PolarHBondContact O-N 3.41Å; L198-T202 PolarHBondContact O-OG1 3.21Å; T202-P204 WeakPolarHBondContact O-CD 3.5Å; T202-P209 WeakPolarHBondContact O-CD 3.41Å; T202-V212 HydrophobicContact CG2-CB 4.36Å; T202-V212 HydrophobicContact CG2-CG1 3.9Å; T202-V212 HydrophobicContact CG2-CG2 3.79Å; T202-W220 HydrophobicContact CG2-CB 4.48Å; T202-W220 HydrophobicContact CG2-CD2 3.61Å; T202-W220 HydrophobicContact CG2-CE3 3.7Å; T202-W220 HydrophobicContact CG2-CG 3.97Å; T202-W220 HydrophobicContact CG2-CZ3 4.2Å; T202-L222 HydrophobicContact CG2-CD2 4.44Å; T202-V277 WeakPolarHBondContact O-CG1 3.47Å
203A98.7Very high98.7Very high0 Ų029.6 Ų29.60%014%0.136CC..  trans-113.565.4178.500000112.4K205 G206 F207 R257 F258A203-K205 PolarHBondContact O-N 2.7Å; A203-K205 VanDerWaalsContact O-N 3.14Å; A203-G206 PolarHBondContact O-N 2.98Å; A203-F207 WeakPolarHBondContact CA-O 3.48Å; A203-F207 VanDerWaalsContact CB-O 3.28Å; A203-F207 WeakPolarHBondContact CB-O 3.24Å; A203-R257 HydrophobicContact CB-CG 4.31Å; A203-R257 PolarHBondContact O-NE 3.31Å; A203-R257 PolarHBondContact O-NH1 2.86Å; A203-F258 HydrophobicContact CB-CD1 4.11Å; A203-F258 HydrophobicContact CB-CE1 3.58Å
204P98.4Very high98.7Very high56 Ų5625.9 Ų25.936%0.36412%0.118SC..THydrogen-bonded Turntrans-61.5-25.9-173.426.2-35.5000113.5T202 L222 V277T202-P204 WeakPolarHBondContact O-CD 3.5Å; P204-L222 HydrophobicContact CG-CD1 4.37Å; P204-V277 HydrophobicContact CG-CG1 4.34Å
205K98.6Very high98.7Very high109 Ų10927.4 Ų27.447%0.47412%0.124SC..THydrogen-bonded Turntrans-107.312.6174.5-59.2-62.3-174.7-178.60113.7A203 F207 P260 V277 A278A203-K205 PolarHBondContact O-N 2.7Å; A203-K205 VanDerWaalsContact O-N 3.14Å; K205-F207 HydrophobicContact CB-CD2 4.24Å; K205-F207 VanDerWaalsContact O-CD2 3.26Å; K205-F207 WeakPolarHBondContact O-CD2 3.48Å; K205-F207 WeakPolarHBondContact O-CE2 3.47Å; K205-P260 WeakPolarHBondContact O-CG 3.38Å; K205-V277 WeakPolarHBondContact CG-O 3.5Å; K205-A278 WeakPolarHBondContact CE-O 3.33Å; K205-A278 VanDerWaalsContact CG-O 3.26Å; K205-A278 WeakPolarHBondContact CG-O 3.41Å
206G98.7Very high98.7Very high3 Ų330.8 Ų30.83%0.03114%0.139CC..SBendtrans75.720.1-179.500000115.3A203 R257 F258A203-G206 PolarHBondContact O-N 2.98Å; G206-R257 WeakPolarHBondContact CA-O 3.07Å; G206-F258 WeakPolarHBondContact O-CA 3.29Å
207F98.9Very high98.6Very high12 Ų1236.4 Ų36.45%0.05317%0.17CC..  trans-117.7126.7170.2-60.3-84.4000108.3A203 K205 Y238 P260 M261 V275 V277A203-F207 WeakPolarHBondContact CA-O 3.48Å; A203-F207 VanDerWaalsContact CB-O 3.28Å; A203-F207 WeakPolarHBondContact CB-O 3.24Å; K205-F207 HydrophobicContact CB-CD2 4.24Å; K205-F207 VanDerWaalsContact O-CD2 3.26Å; K205-F207 WeakPolarHBondContact O-CD2 3.48Å; K205-F207 WeakPolarHBondContact O-CE2 3.47Å; F207-Y238 WeakPolarHBondContact CA-OH 3.3Å; F207-P260 HydrophobicContact CD2-CB 4.45Å; F207-P260 HydrophobicContact CE2-CB 3.74Å; F207-P260 HydrophobicContact CZ-CB 3.79Å; F207-M261 HydrophobicContact CD1-CB 4.19Å; F207-M261 HydrophobicContact CD1-CE 3.77Å; F207-M261 HydrophobicContact CD1-SD 4.43Å; F207-M261 HydrophobicContact CE1-CB 4.05Å; F207-M261 HydrophobicContact CE1-CE 4.08Å; F207-M261 HydrophobicContact CE1-SD 4.18Å; F207-V275 HydrophobicContact CB-CB 4.34Å; F207-V275 HydrophobicContact CB-CG1 4.18Å; F207-V275 HydrophobicContact CD1-CB 3.89Å; F207-V275 HydrophobicContact CD1-CG1 3.74Å; F207-V275 HydrophobicContact CD1-CG2 3.78Å; F207-V275 HydrophobicContact CD2-CG1 3.59Å; F207-V275 HydrophobicContact CE1-CB 4.32Å; F207-V275 HydrophobicContact CE1-CG1 3.95Å; F207-V275 HydrophobicContact CE1-CG2 3.87Å; F207-V275 HydrophobicContact CE2-CG1 3.82Å; F207-V275 HydrophobicContact CG-CB 4Å; F207-V275 HydrophobicContact CG-CG1 3.55Å; F207-V275 HydrophobicContact CG-CG2 4.4Å; F207-V275 HydrophobicContact CZ-CG1 3.99Å; F207-V277 HydrophobicContact CB-CG2 4.47Å; F207-V277 WeakPolarHBondContact O-CG1 3.39Å
208S98.8Very high98.6Very high0 Ų039.6 Ų39.60%019%0.186CC..  trans-77.5138.3179-166.10000110.4P170 S230 A234 Y238P170-S208 WeakPolarHBondContact CB-OG 3.5Å; S208-S230 VanDerWaalsContact O-CA 3.31Å; S208-S230 WeakPolarHBondContact O-CA 3.44Å; S208-S230 WeakPolarHBondContact O-CB 3.29Å; S208-S230 PolarHBondContact O-OG 3.16Å; S208-A234 WeakPolarHBondContact O-CB 3.23Å; S208-Y238 PolarHBondContact N-OH 3.33Å
209P98.8Very high98.6Very high0 Ų039.9 Ų39.90%019%0.191CC..  trans-77.2152177.328.5-30.2000112.3P170 T202 V212 L228 I229 V277P170-P209 VanDerWaalsContact CD-O 3.25Å; P170-P209 WeakPolarHBondContact CD-O 3.46Å; P170-P209 HydrophobicContact CG-CG 3.95Å; P170-P209 VanDerWaalsContact CG-O 3.29Å; P170-P209 WeakPolarHBondContact CG-O 3.46Å; T202-P209 WeakPolarHBondContact O-CD 3.41Å; P209-V212 HydrophobicContact CB-CB 4.44Å; P209-V212 HydrophobicContact CG-CB 3.79Å; P209-V212 HydrophobicContact CG-CG1 4.18Å; P209-V212 HydrophobicContact CG-CG2 4.47Å; P209-L228 HydrophobicContact CB-CD1 3.77Å; P209-L228 HydrophobicContact CB-CG 4.32Å; P209-L228 HydrophobicContact CG-CD1 4.17Å; P209-I229 CarbonylContact C-O 3.56Å; P209-I229 WeakPolarHBondContact CA-O 3.04Å; P209-V277 HydrophobicContact CB-CG1 4.41Å; P209-V277 HydrophobicContact CB-CG2 3.93Å
210D98.6Very high98.5Very high8 Ų841.3 Ų41.34%0.04320%0.196CC..SBendtrans-63.9-47.3167.5-65.5-22000109.3N169 I229 S231 D233 A234N169-D210 PolarHBondContact ND2-O 3.29Å; N169-D210 PolarHBondContact OD1-O 3.44Å; D210-I229 VanDerWaalsContact CG-O 3.27Å; D210-I229 PolarHBondContact N-O 2.84Å; D210-S231 PolarHBondContact OD1-N 3.43Å; D210-S231 WeakPolarHBondContact OD2-CB 3.41Å; D210-S231 PolarHBondContact OD2-N 3.01Å; D210-S231 PolarHBondContact OD2-OG 3.21Å; D210-D233 HydrophobicContact CB-CB 3.77Å; D210-D233 PolarHBondContact OD1-N 2.92Å; D210-A234 WeakPolarHBondContact OD1-CB 3.44Å; D210-A234 PolarHBondContact OD1-N 3.35Å
211W98.6Very high98.5Very high38 Ų3842.1 Ų42.114%0.14420%0.199CC..SBendtrans-136139.3178.2-5985.9000110.9P155 F160 R167 F168 N169 Y172P155-W211 HydrophobicContact CB-CH2 4.07Å; P155-W211 HydrophobicContact CB-CZ3 3.64Å; P155-W211 HydrophobicContact CG-CE3 4.41Å; P155-W211 HydrophobicContact CG-CZ3 3.65Å; F160-W211 HydrophobicContact CD1-CZ3 4.19Å; F160-W211 HydrophobicContact CE1-CH2 4.04Å; F160-W211 AromaticContact CE1-CZ3 3.62Å; F160-W211 HydrophobicContact CE1-CZ3 3.62Å; F160-W211 HydrophobicContact CZ-CH2 4.48Å; F160-W211 HydrophobicContact CZ-CZ3 4.43Å; R167-W211 HydrophobicContact CG-CE3 4.08Å; F168-W211 WeakPolarHBondContact O-CA 3.45Å; N169-W211 HydrophobicContact CB-CD2 4.39Å; N169-W211 HydrophobicContact CB-CE3 3.92Å; N169-W211 HydrophobicContact CB-CH2 4.19Å; N169-W211 HydrophobicContact CB-CZ3 3.84Å; N169-W211 VanDerWaalsContact ND2-CZ2 3.31Å; N169-W211 WeakPolarHBondContact ND2-CZ2 3.44Å; Y172-W211 WeakPolarHBondContact OH-CH2 3.32Å
212V98.7Very high98.5Very high0 Ų041.3 Ų41.30%020%0.197CC..EExtended strand (participates in β ladder)trans-139.7140.4177.561.30000110.7F168 P170 L198 T202 P209 W220 L222 L228F168-V212 HydrophobicContact CB-CG1 4.36Å; F168-V212 PolarHBondContact N-O 2.95Å; F168-V212 PolarHBondContact O-N 2.93Å; P170-V212 HydrophobicContact CG-CG1 4.08Å; L198-V212 HydrophobicContact CD1-CG1 3.68Å; T202-V212 HydrophobicContact CG2-CB 4.36Å; T202-V212 HydrophobicContact CG2-CG1 3.9Å; T202-V212 HydrophobicContact CG2-CG2 3.79Å; P209-V212 HydrophobicContact CB-CB 4.44Å; P209-V212 HydrophobicContact CG-CB 3.79Å; P209-V212 HydrophobicContact CG-CG1 4.18Å; P209-V212 HydrophobicContact CG-CG2 4.47Å; V212-W220 HydrophobicContact CG2-CE3 4.28Å; V212-L222 HydrophobicContact CG2-CD2 3.97Å; V212-L228 HydrophobicContact CB-CD1 4.15Å; V212-L228 HydrophobicContact CG2-CD1 4.02Å
213R98.6Very high98.2Very high72 Ų7249.8 Ų49.827%0.27223%0.234SC..EExtended strand (participates in β ladder)trans-98.7151.7176.4-65.7-179.6-63.4115.3-1.4111.5W166 R167 E215 Q221 E225W166-R213 CarbonylContact O-C 3.52Å; W166-R213 VanDerWaalsContact O-CA 3.23Å; W166-R213 WeakPolarHBondContact O-CA 3.42Å; R167-R213 HydrophobicContact CB-CG 4.34Å; R167-R213 HydrophobicContact CG-CG 4.24Å; R213-E215 IonicContact NH1-OE1 3.64Å; R213-E215 PolarHBondContact NH1-OE1 3.09Å; R213-Q221 HydrophobicContact CB-CB 4.16Å; R213-Q221 HydrophobicContact CB-CG 4.19Å; R213-Q221 PolarHBondContact O-N 3.47Å; R213-E225 IonicContact CZ-OE2 3.49Å; R213-E225 IonicContact NE-OE1 2.74Å; R213-E225 IonicContact NE-OE2 3.61Å; R213-E225 PolarHBondContact NE-OE2 2.82Å; R213-E225 IonicContact NH2-OE1 3.02Å; R213-E225 IonicContact NH2-OE2 3.83Å; R213-E225 PolarHBondContact NH2-OE2 3.41Å
214Y98.8Very high97.6Very high17 Ų1753 Ų537%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-123.1131.4167.6-173.6-88.1000108.4V146 P147 G148 L149 S165 W166 G219 W220V146-Y214 HydrophobicContact CG1-CD1 3.62Å; V146-Y214 HydrophobicContact CG1-CE1 3.7Å; V146-Y214 HydrophobicContact CG1-CG 4.49Å; P147-Y214 VanDerWaalsContact O-CE1 3.25Å; P147-Y214 WeakPolarHBondContact O-CE1 3.38Å; P147-Y214 PolarHBondContact O-OH 2.92Å; P147-Y214 VanDerWaalsContact O-OH 3.04Å; G148-Y214 WeakPolarHBondContact CA-OH 3.07Å; L149-Y214 HydrophobicContact CD1-CD1 4.24Å; L149-Y214 HydrophobicContact CD1-CD2 3.68Å; L149-Y214 HydrophobicContact CD1-CE1 4.35Å; L149-Y214 HydrophobicContact CD1-CE2 3.79Å; L149-Y214 HydrophobicContact CD1-CG 3.9Å; L149-Y214 HydrophobicContact CD2-CD2 4.28Å; L149-Y214 HydrophobicContact CD2-CE2 3.71Å; L149-Y214 HydrophobicContact CG-CD2 4.08Å; L149-Y214 HydrophobicContact CG-CE1 4.27Å; L149-Y214 HydrophobicContact CG-CE2 3.63Å; S165-Y214 WeakPolarHBondContact CA-O 3.37Å; W166-Y214 AromaticContact CE3-CD1 3.85Å; W166-Y214 HydrophobicContact CE3-CD1 3.85Å; W166-Y214 HydrophobicContact CZ3-CD1 4.05Å; W166-Y214 HydrophobicContact CZ3-CE1 4.45Å; W166-Y214 PolarHBondContact N-O 3.16Å; W166-Y214 PolarHBondContact O-N 3.4Å; Y214-G219 WeakPolarHBondContact CA-O 3.32Å; Y214-G219 VanDerWaalsContact CE2-CA 3.5Å; Y214-W220 AromaticContact CD2-CD2 3.7Å; Y214-W220 HydrophobicContact CD2-CD2 3.7Å; Y214-W220 AromaticContact CD2-CE2 3.98Å; Y214-W220 AromaticContact CD2-CE3 3.63Å; Y214-W220 HydrophobicContact CD2-CE3 3.63Å; Y214-W220 HydrophobicContact CD2-CG 4.3Å; Y214-W220 HydrophobicContact CD2-CH2 4.13Å; Y214-W220 HydrophobicContact CD2-CZ2 4.21Å; Y214-W220 AromaticContact CD2-CZ3 3.84Å; Y214-W220 HydrophobicContact CD2-CZ3 3.84Å; Y214-W220 HydrophobicContact CE2-CD2 4.41Å; Y214-W220 HydrophobicContact CG-CE3 4.25Å; Y214-W220 HydrophobicContact CG-CZ3 4.26Å
215E98.6Very high97.2Very high36 Ų3653 Ų5317%0.16826%0.255CS..EExtended strand (participates in β ladder)trans-111.2135.5174.6-79.7178.5-139.800110.2N164 R213 D217 K218 G219 Q221N164-E215 WeakPolarHBondContact O-CA 3.35Å; R213-E215 IonicContact NH1-OE1 3.64Å; R213-E215 PolarHBondContact NH1-OE1 3.09Å; E215-D217 PolarHBondContact O-N 2.99Å; E215-K218 HydrophobicContact CB-CB 4.05Å; E215-K218 HydrophobicContact CB-CD 4.18Å; E215-K218 HydrophobicContact CB-CG 4.49Å; E215-K218 PolarHBondContact O-N 2.9Å; E215-K218 VanDerWaalsContact O-N 3.11Å; E215-K218 VanDerWaalsContact OE2-CD 3.3Å; E215-K218 WeakPolarHBondContact OE2-CD 3.36Å; E215-K218 IonicContact OE2-NZ 2.69Å; E215-K218 PolarHBondContact OE2-NZ 3.2Å; E215-G219 PolarHBondContact N-O 3.4Å; E215-G219 PolarHBondContact O-N 3.13Å; E215-Q221 HydrophobicContact CG-CG 4.14Å; E215-Q221 PolarHBondContact OE1-NE2 3.13Å; E215-Q221 PolarHBondContact OE2-NE2 2.98Å; E215-Q221 VanDerWaalsContact OE2-NE2 3.13Å
216K98.3Very high96.7Very high82 Ų8257 Ų5736%0.35727%0.273SS..THydrogen-bonded Turntrans-53.6135.6175.2-172.9-175.2169.4-176.60109.6P147 N164 W166 K218P147-K216 HydrophobicContact CB-CG 4.22Å; P147-K216 HydrophobicContact CG-CD 4.44Å; P147-K216 HydrophobicContact CG-CG 4.38Å; N164-K216 HydrophobicContact CB-CB 4.23Å; N164-K216 PolarHBondContact O-N 2.77Å; N164-K216 WeakPolarHBondContact OD1-CD 3.42Å; W166-K216 HydrophobicContact CH2-CB 4.12Å; W166-K216 HydrophobicContact CZ3-CB 3.96Å; K216-K218 PolarHBondContact O-N 3.06Å
217D97.5Very high96.3Very high145 Ų14559.2 Ų59.278%0.77529%0.285SS*.THydrogen-bonded Turntrans61.76.1179.9-49.7-39.3000115.7E215E215-D217 PolarHBondContact O-N 2.99Å
218K98Very high96.1Very high150 Ų15058.7 Ų58.765%0.65228%0.283SS*.THydrogen-bonded Turntrans-123-32.1177.4-62.1-177.6-164.6164.20114E215 K216E215-K218 HydrophobicContact CB-CB 4.05Å; E215-K218 HydrophobicContact CB-CD 4.18Å; E215-K218 HydrophobicContact CB-CG 4.49Å; E215-K218 PolarHBondContact O-N 2.9Å; E215-K218 VanDerWaalsContact O-N 3.11Å; E215-K218 VanDerWaalsContact OE2-CD 3.3Å; E215-K218 WeakPolarHBondContact OE2-CD 3.36Å; E215-K218 IonicContact OE2-NZ 2.69Å; E215-K218 PolarHBondContact OE2-NZ 3.2Å; K216-K218 PolarHBondContact O-N 3.06Å
219G98.2Very high96.1Very high15 Ų1560.5 Ų60.516%0.15529%0.292CS..EExtended strand (participates in β ladder)trans93.5-153.4-179.500000114Y214 E215Y214-G219 WeakPolarHBondContact CA-O 3.32Å; Y214-G219 VanDerWaalsContact CE2-CA 3.5Å; E215-G219 PolarHBondContact N-O 3.4Å; E215-G219 PolarHBondContact O-N 3.13Å
220W98.6Very high96.1Very high33 Ų3360.7 Ų60.713%0.12529%0.294CS..EExtended strand (participates in β ladder)trans-69.1132.2-178.5-57114.3000112.7L149 M152 F168 L198 E201 T202 V212 Y214 L222L149-W220 HydrophobicContact CD1-CH2 3.47Å; L149-W220 VanDerWaalsContact CD1-CH2 3.47Å; L149-W220 HydrophobicContact CD1-CZ2 3.81Å; L149-W220 HydrophobicContact CD1-CZ3 4.19Å; L149-W220 HydrophobicContact CD2-CH2 4.14Å; L149-W220 HydrophobicContact CD2-CZ2 3.56Å; L149-W220 HydrophobicContact CG-CH2 4.47Å; L149-W220 HydrophobicContact CG-CZ2 4.35Å; M152-W220 HydrophobicContact CE-CH2 4.01Å; F168-W220 HydrophobicContact CD2-CH2 4.4Å; F168-W220 AromaticContact CD2-CZ3 3.81Å; F168-W220 HydrophobicContact CD2-CZ3 3.81Å; F168-W220 HydrophobicContact CE2-CZ3 4.14Å; L198-W220 HydrophobicContact CB-CH2 4.4Å; L198-W220 HydrophobicContact CD1-CH2 3.8Å; L198-W220 HydrophobicContact CD1-CZ3 3.85Å; E201-W220 VanDerWaalsContact CB-NE1 3.31Å; E201-W220 PolarHBondContact OE2-NE1 2.88Å; T202-W220 HydrophobicContact CG2-CB 4.48Å; T202-W220 HydrophobicContact CG2-CD2 3.61Å; T202-W220 HydrophobicContact CG2-CE3 3.7Å; T202-W220 HydrophobicContact CG2-CG 3.97Å; T202-W220 HydrophobicContact CG2-CZ3 4.2Å; V212-W220 HydrophobicContact CG2-CE3 4.28Å; Y214-W220 AromaticContact CD2-CD2 3.7Å; Y214-W220 HydrophobicContact CD2-CD2 3.7Å; Y214-W220 AromaticContact CD2-CE2 3.98Å; Y214-W220 AromaticContact CD2-CE3 3.63Å; Y214-W220 HydrophobicContact CD2-CE3 3.63Å; Y214-W220 HydrophobicContact CD2-CG 4.3Å; Y214-W220 HydrophobicContact CD2-CH2 4.13Å; Y214-W220 HydrophobicContact CD2-CZ2 4.21Å; Y214-W220 AromaticContact CD2-CZ3 3.84Å; Y214-W220 HydrophobicContact CD2-CZ3 3.84Å; Y214-W220 HydrophobicContact CE2-CD2 4.41Å; Y214-W220 HydrophobicContact CG-CE3 4.25Å; Y214-W220 HydrophobicContact CG-CZ3 4.26Å; W220-L222 HydrophobicContact CB-CD1 4.12Å; W220-L222 HydrophobicContact CB-CD2 4.02Å; W220-L222 HydrophobicContact CB-CG 3.84Å; W220-L222 PolarHBondContact O-N 2.87Å
221Q98.4Very high96.1Very high44 Ų4460.8 Ų60.821%0.20630%0.295CS..EExtended strand (participates in β ladder)trans-88.696.8175.8-56.8-60.942.800110.7R213 E215R213-Q221 HydrophobicContact CB-CB 4.16Å; R213-Q221 HydrophobicContact CB-CG 4.19Å; R213-Q221 PolarHBondContact O-N 3.47Å; E215-Q221 HydrophobicContact CG-CG 4.14Å; E215-Q221 PolarHBondContact OE1-NE2 3.13Å; E215-Q221 PolarHBondContact OE2-NE2 2.98Å; E215-Q221 VanDerWaalsContact OE2-NE2 3.13Å
222L97.9Very high96.1Very high47 Ų4763 Ų6325%0.24630%0.304CS..  trans-112.814-172.7-54.7179.3000113.6T202 P204 V212 W220 L228T202-L222 HydrophobicContact CG2-CD2 4.44Å; P204-L222 HydrophobicContact CG-CD1 4.37Å; V212-L222 HydrophobicContact CG2-CD2 3.97Å; W220-L222 HydrophobicContact CB-CD1 4.12Å; W220-L222 HydrophobicContact CB-CD2 4.02Å; W220-L222 HydrophobicContact CB-CG 3.84Å; W220-L222 PolarHBondContact O-N 2.87Å; L222-L228 HydrophobicContact CD2-CD1 4.5Å
223K93Very high96.1Very high179 Ų17964.8 Ų64.878%0.77831%0.313SS*.SBendtrans-72.1144.6168.2-67.8-175.7-178.5179.20108.7E225 L228K223-E225 PolarHBondContact O-N 2.95Å; K223-L228 WeakPolarHBondContact O-CD2 3.29Å
224A85.5Confident96.1Very high66 Ų6661.3 Ų61.355%0.54530%0.3SS..  trans-54.4125.1178.600000110.9A278A224-A278 HydrophobicContact CB-CB 4.07Å
225E89.7Confident96.1Very high56 Ų5660.6 Ų60.626%0.26230%0.298SS..  trans-147164.117564179.3174.600109.3R213 K223 T227 L228R213-E225 IonicContact CZ-OE2 3.49Å; R213-E225 IonicContact NE-OE1 2.74Å; R213-E225 IonicContact NE-OE2 3.61Å; R213-E225 PolarHBondContact NE-OE2 2.82Å; R213-E225 IonicContact NH2-OE1 3.02Å; R213-E225 IonicContact NH2-OE2 3.83Å; R213-E225 PolarHBondContact NH2-OE2 3.41Å; K223-E225 PolarHBondContact O-N 2.95Å; E225-T227 PolarHBondContact O-N 3.07Å; E225-L228 HydrophobicContact CG-CB 3.59Å; E225-L228 PolarHBondContact O-N 3.32Å
226K89Confident96.2Very high195 Ų19559.1 Ų59.185%0.84829%0.29SS*.THydrogen-bonded Turntrans-54.1-34.8-170-173.1178.6179.1-176.80114
227T89.1Confident96.2Very high49 Ų4955.3 Ų55.330%0.30127%0.274SS..THydrogen-bonded Turntrans-100.6-6.4-176.458.70000113.8E225 I229E225-T227 PolarHBondContact O-N 3.07Å; T227-I229 PolarHBondContact O-N 3.37Å
228L96.5Very high96.3Very high0 Ų048.4 Ų48.40%024%0.237CC..  trans-84.557.8176.7-162.383.2000109.5P209 V212 L222 K223 E225 V277P209-L228 HydrophobicContact CB-CD1 3.77Å; P209-L228 HydrophobicContact CB-CG 4.32Å; P209-L228 HydrophobicContact CG-CD1 4.17Å; V212-L228 HydrophobicContact CB-CD1 4.15Å; V212-L228 HydrophobicContact CG2-CD1 4.02Å; L222-L228 HydrophobicContact CD2-CD1 4.5Å; K223-L228 WeakPolarHBondContact O-CD2 3.29Å; E225-L228 HydrophobicContact CG-CB 3.59Å; E225-L228 PolarHBondContact O-N 3.32Å; L228-V277 HydrophobicContact CD2-CB 4.45Å; L228-V277 HydrophobicContact CD2-CG1 4.47Å; L228-V277 HydrophobicContact CG-CB 4.06Å; L228-V277 HydrophobicContact CG-CG1 4.25Å; L228-V277 WeakPolarHBondContact O-CB 3.46Å; L228-V277 PolarHBondContact O-N 2.66Å; L228-V277 VanDerWaalsContact O-N 3.14Å
229I98.5Very high96.3Very high38 Ų3841.2 Ų41.220%0.19521%0.206CC..EExtended strand (participates in β ladder)trans-123.8153.5177.761.5168.7000108.8P209 D210 T227 K274 V275P209-I229 CarbonylContact C-O 3.56Å; P209-I229 WeakPolarHBondContact CA-O 3.04Å; D210-I229 VanDerWaalsContact CG-O 3.27Å; D210-I229 PolarHBondContact N-O 2.84Å; T227-I229 PolarHBondContact O-N 3.37Å; I229-K274 HydrophobicContact CD1-CD 4.36Å; I229-K274 HydrophobicContact CD1-CG 4.4Å; I229-V275 CarbonylContact C-O 3.53Å; I229-V275 WeakPolarHBondContact CA-O 3.43Å
230S98.8Very high96.3Very high4 Ų440.7 Ų40.73%0.02820%0.199CC..EExtended strand (participates in β ladder)trans-96.1109.5168.2-161.40000108.6S208 A234 Y238 K274 V275S208-S230 VanDerWaalsContact O-CA 3.31Å; S208-S230 WeakPolarHBondContact O-CA 3.44Å; S208-S230 WeakPolarHBondContact O-CB 3.29Å; S208-S230 PolarHBondContact O-OG 3.16Å; S230-A234 WeakPolarHBondContact OG-CB 3.47Å; S230-Y238 PolarHBondContact OG-OH 3.22Å; S230-K274 CarbonylContact O-C 3.51Å; S230-K274 WeakPolarHBondContact O-CA 3.33Å; S230-V275 PolarHBondContact N-O 3.22Å; S230-V275 PolarHBondContact O-N 3.22Å
231S98.8Very high96.4Very high10 Ų1039.1 Ų39.17%0.0719%0.193CC..SBendtrans-142.1-124.5178.580.60000111.9D210 I235 E273 F290D210-S231 PolarHBondContact OD1-N 3.43Å; D210-S231 WeakPolarHBondContact OD2-CB 3.41Å; D210-S231 PolarHBondContact OD2-N 3.01Å; D210-S231 PolarHBondContact OD2-OG 3.21Å; S231-I235 WeakPolarHBondContact O-CB 3.44Å; S231-I235 PolarHBondContact O-N 3.48Å; S231-E273 WeakPolarHBondContact CA-O 3.49Å; S231-E273 WeakPolarHBondContact CB-O 3.05Å; S231-F290 WeakPolarHBondContact O-CZ 3.47Å
232Y98.5Very high96.4Very high85 Ų8537 Ų3733%0.33318%0.183SC..THydrogen-bonded Turntrans-69.6-33.1-170.5-66.5-99.2000112.3I235 E273 P287 F290 Y322Y232-I235 VanDerWaalsContact O-CG2 3.28Å; Y232-I235 WeakPolarHBondContact O-CG2 3.47Å; Y232-E273 HydrophobicContact CE2-CG 4.21Å; Y232-E273 PolarHBondContact OH-OE1 2.89Å; Y232-P287 HydrophobicContact CE1-CG 4.08Å; Y232-F290 AromaticContact CD1-CE1 3.8Å; Y232-F290 HydrophobicContact CD1-CE1 3.8Å; Y232-F290 HydrophobicContact CD1-CZ 4.04Å; Y232-F290 HydrophobicContact CD2-CZ 4.27Å; Y232-F290 HydrophobicContact CE1-CE1 4.15Å; Y232-F290 HydrophobicContact CE1-CZ 4.33Å; Y232-F290 HydrophobicContact CG-CE1 4.16Å; Y232-F290 HydrophobicContact CG-CZ 4Å; Y232-Y322 HydrophobicContact CD1-CD1 4Å; Y232-Y322 AromaticContact CD1-CE1 3.78Å; Y232-Y322 HydrophobicContact CD1-CE1 3.78Å; Y232-Y322 PolarHBondContact O-OH 2.64Å
233D98.7Very high96.4Very high37 Ų3735 Ų3520%0.19817%0.173CC..THydrogen-bonded Turntrans-75.1-54174.4-64.3-118.7000110.5N169 S171 D210 I235 R236N169-D233 PolarHBondContact ND2-OD1 2.78Å; S171-D233 WeakPolarHBondContact CB-O 3.49Å; S171-D233 PolarHBondContact OG-O 3.38Å; D210-D233 HydrophobicContact CB-CB 3.77Å; D210-D233 PolarHBondContact OD1-N 2.92Å; D233-I235 VanDerWaalsContact C-N 3.26Å; D233-I235 PolarHBondContact O-N 3.21Å; D233-R236 WeakPolarHBondContact O-CB 3.22Å; D233-R236 PolarHBondContact O-N 3.43Å; D233-R236 PolarHBondContact O-NE 3.4Å; D233-R236 IonicContact OD1-NH2 3.63Å
234A98.8Very high96.7Very high0 Ų026.5 Ų26.50%014%0.136CC..THydrogen-bonded Turntrans-68.7-20-170.100000114.2S208 D210 S230 R236 V237 Y238S208-A234 WeakPolarHBondContact O-CB 3.23Å; D210-A234 WeakPolarHBondContact OD1-CB 3.44Å; D210-A234 PolarHBondContact OD1-N 3.35Å; S230-A234 WeakPolarHBondContact OG-CB 3.47Å; A234-R236 PolarHBondContact O-N 3.44Å; A234-R236 VanDerWaalsContact O-N 3.12Å; A234-V237 VanDerWaalsContact O-CB 3.27Å; A234-V237 WeakPolarHBondContact O-CB 3.49Å; A234-V237 PolarHBondContact O-N 3.22Å; A234-Y238 WeakPolarHBondContact O-CD2 3.48Å; A234-Y238 VanDerWaalsContact O-CE2 3.29Å; A234-Y238 WeakPolarHBondContact O-CE2 3.38Å
235I98.9Very high97.3Very high2 Ų224.5 Ų24.51%0.0112%0.117CC..Hα-helixtrans-54.6-32.1174.6-168.664.7000111.8S231 Y232 D233 V237 Y238 F290 A293 M294 Y322 L326S231-I235 WeakPolarHBondContact O-CB 3.44Å; S231-I235 PolarHBondContact O-N 3.48Å; Y232-I235 VanDerWaalsContact O-CG2 3.28Å; Y232-I235 WeakPolarHBondContact O-CG2 3.47Å; D233-I235 VanDerWaalsContact C-N 3.26Å; D233-I235 PolarHBondContact O-N 3.21Å; I235-V237 VanDerWaalsContact C-N 3.31Å; I235-V237 PolarHBondContact O-N 2.84Å; I235-Y238 HydrophobicContact CD1-CD2 4.14Å; I235-Y238 WeakPolarHBondContact O-CD2 3.5Å; I235-Y238 PolarHBondContact O-N 3.13Å; I235-F290 HydrophobicContact CB-CD1 4.09Å; I235-F290 HydrophobicContact CB-CD2 4.38Å; I235-F290 HydrophobicContact CB-CE1 4.02Å; I235-F290 HydrophobicContact CB-CE2 4.31Å; I235-F290 HydrophobicContact CB-CG 4.29Å; I235-F290 HydrophobicContact CB-CZ 4.14Å; I235-F290 HydrophobicContact CD1-CB 3.88Å; I235-F290 HydrophobicContact CD1-CD1 4.37Å; I235-F290 HydrophobicContact CD1-CD2 3.73Å; I235-F290 HydrophobicContact CD1-CE2 4.35Å; I235-F290 HydrophobicContact CD1-CG 3.74Å; I235-F290 HydrophobicContact CG1-CB 3.98Å; I235-F290 HydrophobicContact CG1-CD1 3.72Å; I235-F290 HydrophobicContact CG1-CD2 3.97Å; I235-F290 HydrophobicContact CG1-CE1 4.18Å; I235-F290 HydrophobicContact CG1-CE2 4.39Å; I235-F290 HydrophobicContact CG1-CG 3.62Å; I235-F290 HydrophobicContact CG1-CZ 4.5Å; I235-F290 HydrophobicContact CG2-CD1 4Å; I235-F290 HydrophobicContact CG2-CE1 3.77Å; I235-F290 HydrophobicContact CG2-CZ 4.27Å; I235-A293 HydrophobicContact CD1-CB 4.31Å; I235-A293 HydrophobicContact CG1-CB 3.67Å; I235-M294 HydrophobicContact CD1-CE 3.57Å; I235-Y322 WeakPolarHBondContact CG2-OH 3.36Å; I235-L326 HydrophobicContact CG2-CD1 3.9Å
236R98.9Very high97.7Very high4 Ų428 Ų282%0.01514%0.138CC..Hα-helixtrans-68.5-27.8177.9-61.1-179.8-68.9-174.2-3.7112.6E45 Y49 D106 S171 D233 A234 Y238 M239 W240 L326E45-R236 IonicContact OE2-CZ 2.86Å; E45-R236 IonicContact OE2-NH1 2.74Å; E45-R236 PolarHBondContact OE2-NH1 3.12Å; E45-R236 IonicContact OE2-NH2 2.77Å; Y49-R236 PolarHBondContact OH-NH1 3.11Å; D106-R236 IonicContact OD2-CZ 3.28Å; D106-R236 IonicContact OD2-NH1 3.44Å; D106-R236 PolarHBondContact OD2-NH1 3.07Å; D106-R236 IonicContact OD2-NH2 3.53Å; S171-R236 PolarHBondContact OG-NH2 3.46Å; D233-R236 WeakPolarHBondContact O-CB 3.22Å; D233-R236 PolarHBondContact O-N 3.43Å; D233-R236 PolarHBondContact O-NE 3.4Å; D233-R236 IonicContact OD1-NH2 3.63Å; A234-R236 PolarHBondContact O-N 3.44Å; A234-R236 VanDerWaalsContact O-N 3.12Å; R236-Y238 VanDerWaalsContact C-N 3.33Å; R236-Y238 PolarHBondContact O-N 2.99Å; R236-M239 HydrophobicContact CB-CE 4.48Å; R236-M239 HydrophobicContact CG-CE 4.3Å; R236-M239 WeakPolarHBondContact O-CB 3.33Å; R236-M239 PolarHBondContact O-N 3.39Å; R236-W240 HydrophobicContact CB-CZ2 4.08Å; R236-W240 HydrophobicContact CG-CZ2 4.4Å; R236-W240 WeakPolarHBondContact O-CB 3.24Å; R236-W240 PolarHBondContact O-N 3.2Å; R236-L326 HydrophobicContact CG-CD2 3.81Å
237V98.9Very high98.1Very high2 Ų222.3 Ų22.31%0.01212%0.123CC..Hα-helixtrans-57.3-48.6177173.50000110.8P170 L199 A234 I235 M239 W240 V241 F258P170-V237 HydrophobicContact CB-CG2 3.97Å; L199-V237 HydrophobicContact CD2-CG1 3.7Å; L199-V237 HydrophobicContact CD2-CG2 4.25Å; A234-V237 VanDerWaalsContact O-CB 3.27Å; A234-V237 WeakPolarHBondContact O-CB 3.49Å; A234-V237 PolarHBondContact O-N 3.22Å; I235-V237 VanDerWaalsContact C-N 3.31Å; I235-V237 PolarHBondContact O-N 2.84Å; V237-M239 VanDerWaalsContact C-N 3.33Å; V237-M239 PolarHBondContact O-N 3.19Å; V237-W240 PolarHBondContact O-N 3.3Å; V237-V241 VanDerWaalsContact O-CG2 3.29Å; V237-V241 WeakPolarHBondContact O-CG2 3.34Å; V237-V241 PolarHBondContact O-N 2.84Å; V237-F258 HydrophobicContact CG1-CD2 4.49Å; V237-F258 HydrophobicContact CG1-CE1 4.44Å; V237-F258 HydrophobicContact CG1-CE2 3.79Å; V237-F258 HydrophobicContact CG1-CZ 3.76Å
238Y98.9Very high98.6Very high0 Ų020.3 Ų20.30%011%0.11CC..Hα-helixtrans-63.7-42.7179.7-46.6-69.1000111.1F207 S208 S230 A234 I235 R236 V241 G242 F258 M261 M294 F297F207-Y238 WeakPolarHBondContact CA-OH 3.3Å; S208-Y238 PolarHBondContact N-OH 3.33Å; S230-Y238 PolarHBondContact OG-OH 3.22Å; A234-Y238 WeakPolarHBondContact O-CD2 3.48Å; A234-Y238 VanDerWaalsContact O-CE2 3.29Å; A234-Y238 WeakPolarHBondContact O-CE2 3.38Å; I235-Y238 HydrophobicContact CD1-CD2 4.14Å; I235-Y238 WeakPolarHBondContact O-CD2 3.5Å; I235-Y238 PolarHBondContact O-N 3.13Å; R236-Y238 VanDerWaalsContact C-N 3.33Å; R236-Y238 PolarHBondContact O-N 2.99Å; Y238-V241 PolarHBondContact O-N 3.35Å; Y238-G242 PolarHBondContact O-N 2.86Å; Y238-F258 HydrophobicContact CD1-CB 3.89Å; Y238-F258 HydrophobicContact CD1-CD1 4.47Å; Y238-F258 HydrophobicContact CD1-CG 4.09Å; Y238-F258 HydrophobicContact CE1-CB 3.96Å; Y238-F258 AromaticContact CE1-CD1 3.97Å; Y238-F258 HydrophobicContact CE1-CD1 3.97Å; Y238-F258 HydrophobicContact CE1-CG 4.02Å; Y238-M261 HydrophobicContact CD1-CB 4.06Å; Y238-M261 HydrophobicContact CD1-CG 4Å; Y238-M261 HydrophobicContact CD2-CE 4.2Å; Y238-M261 HydrophobicContact CD2-CG 4.15Å; Y238-M261 HydrophobicContact CE1-CB 3.76Å; Y238-M261 HydrophobicContact CE1-CE 4.39Å; Y238-M261 HydrophobicContact CE1-CG 3.94Å; Y238-M261 HydrophobicContact CE2-CE 3.43Å; Y238-M261 VanDerWaalsContact CE2-CE 3.43Å; Y238-M261 HydrophobicContact CE2-CG 4.12Å; Y238-M261 HydrophobicContact CG-CG 4.1Å; Y238-M294 VanDerWaalsContact CB-CE 3.47Å; Y238-M294 HydrophobicContact CD2-CE 3.92Å; Y238-M294 HydrophobicContact CG-CE 3.96Å; Y238-F297 HydrophobicContact CD1-CE1 4.21Å; Y238-F297 HydrophobicContact CD1-CE2 4.24Å; Y238-F297 AromaticContact CD1-CZ 3.98Å; Y238-F297 HydrophobicContact CD1-CZ 3.98Å; Y238-F297 WeakPolarHBondContact O-CB 3.31Å; Y238-F297 VanDerWaalsContact O-CD2 3.24Å; Y238-F297 WeakPolarHBondContact O-CD2 3.38Å
239M98.9Very high98.5Very high0 Ų024.3 Ų24.30%014%0.136CC..Hα-helixtrans-58.3-50.7175.8-174.2167.169.100111.4R236 V237 V241 G242 M243 A293 P296 L326 F329R236-M239 HydrophobicContact CB-CE 4.48Å; R236-M239 HydrophobicContact CG-CE 4.3Å; R236-M239 WeakPolarHBondContact O-CB 3.33Å; R236-M239 PolarHBondContact O-N 3.39Å; V237-M239 VanDerWaalsContact C-N 3.33Å; V237-M239 PolarHBondContact O-N 3.19Å; M239-V241 PolarHBondContact O-N 3.07Å; M239-G242 PolarHBondContact O-N 2.83Å; M239-G242 VanDerWaalsContact O-N 3.16Å; M239-M243 HydrophobicContact CG-CE 3.61Å; M239-M243 HydrophobicContact CG-SD 4.26Å; M239-M243 VanDerWaalsContact O-CG 3.28Å; M239-M243 WeakPolarHBondContact O-CG 3.49Å; M239-M243 PolarHBondContact O-N 3.18Å; M239-M243 HydrophobicContact SD-CE 4.07Å; M239-A293 WeakPolarHBondContact CA-O 3.48Å; M239-A293 HydrophobicContact CB-CB 4.04Å; M239-A293 HydrophobicContact CG-CB 4.4Å; M239-A293 HydrophobicContact SD-CB 3.91Å; M239-P296 HydrophobicContact CG-CG 4.31Å; M239-L326 HydrophobicContact CE-CD2 3.85Å; M239-F329 HydrophobicContact CE-CB 3.61Å; M239-F329 HydrophobicContact CE-CD2 4.17Å; M239-F329 HydrophobicContact CE-CG 3.99Å; M239-F329 HydrophobicContact SD-CB 3.55Å; M239-F329 VanDerWaalsContact SD-CB 3.55Å
240W98.9Very high98.5Very high3 Ų322.8 Ų22.81%0.01113%0.128CC..Hα-helixtrans-60.3-43.1178.4-55.8148.5000112.6W110 S171 P174 R236 V237 G242 M243 M244 F329W110-W240 HydrophobicContact CH2-CH2 4.17Å; W110-W240 AromaticContact CH2-CZ3 3.99Å; W110-W240 HydrophobicContact CH2-CZ3 3.99Å; W110-W240 HydrophobicContact CZ2-CD2 4.41Å; W110-W240 HydrophobicContact CZ2-CE3 4.05Å; W110-W240 AromaticContact CZ2-CH2 3.37Å; W110-W240 HydrophobicContact CZ2-CH2 3.37Å; W110-W240 AromaticContact CZ2-CZ2 3.76Å; W110-W240 HydrophobicContact CZ2-CZ2 3.76Å; W110-W240 AromaticContact CZ2-CZ3 3.52Å; W110-W240 HydrophobicContact CZ2-CZ3 3.52Å; W110-W240 AromaticContact NE1-CZ2 3.95Å; S171-W240 PolarHBondContact O-NE1 3.06Å; S171-W240 VanDerWaalsContact O-NE1 3.12Å; P174-W240 HydrophobicContact CB-CB 4.06Å; P174-W240 HydrophobicContact CB-CD2 4.07Å; P174-W240 HydrophobicContact CB-CG 3.8Å; P174-W240 HydrophobicContact CG-CD2 3.93Å; P174-W240 HydrophobicContact CG-CG 3.98Å; P174-W240 HydrophobicContact CG-CZ2 4.46Å; R236-W240 HydrophobicContact CB-CZ2 4.08Å; R236-W240 HydrophobicContact CG-CZ2 4.4Å; R236-W240 WeakPolarHBondContact O-CB 3.24Å; R236-W240 PolarHBondContact O-N 3.2Å; V237-W240 PolarHBondContact O-N 3.3Å; W240-G242 VanDerWaalsContact C-N 3.34Å; W240-M243 HydrophobicContact CE3-SD 3.95Å; W240-M243 HydrophobicContact CZ3-SD 4.01Å; W240-M243 PolarHBondContact O-N 3.35Å; W240-M244 WeakPolarHBondContact O-CG 3.24Å; W240-M244 PolarHBondContact O-N 2.88Å; W240-F329 AromaticContact CH2-CD1 3.82Å; W240-F329 HydrophobicContact CH2-CD1 3.82Å; W240-F329 AromaticContact CH2-CD2 3.98Å; W240-F329 HydrophobicContact CH2-CD2 3.98Å; W240-F329 AromaticContact CH2-CE1 3.76Å; W240-F329 HydrophobicContact CH2-CE1 3.76Å; W240-F329 AromaticContact CH2-CE2 3.94Å; W240-F329 HydrophobicContact CH2-CE2 3.94Å; W240-F329 AromaticContact CH2-CG 3.93Å; W240-F329 HydrophobicContact CH2-CG 3.93Å; W240-F329 AromaticContact CH2-CZ 3.84Å; W240-F329 HydrophobicContact CH2-CZ 3.84Å; W240-F329 AromaticContact CZ3-CD1 3.68Å; W240-F329 HydrophobicContact CZ3-CD1 3.68Å; W240-F329 AromaticContact CZ3-CE1 3.89Å; W240-F329 HydrophobicContact CZ3-CE1 3.89Å; W240-F329 HydrophobicContact CZ3-CG 4.05Å; W240-F329 HydrophobicContact CZ3-CZ 4.43Å
241V98.9Very high98.4Very high0 Ų023 Ų230%013%0.129CC..Hα-helixtrans-62.5-42.4175.4170.80000111.2V237 Y238 M239 M243 M244 K251 M254 L255 F258 F297V237-V241 VanDerWaalsContact O-CG2 3.29Å; V237-V241 WeakPolarHBondContact O-CG2 3.34Å; V237-V241 PolarHBondContact O-N 2.84Å; Y238-V241 PolarHBondContact O-N 3.35Å; M239-V241 PolarHBondContact O-N 3.07Å; V241-M243 VanDerWaalsContact C-N 3.28Å; V241-M243 PolarHBondContact O-N 3.35Å; V241-M244 WeakPolarHBondContact O-CB 3.41Å; V241-M244 PolarHBondContact O-N 3.31Å; V241-K251 WeakPolarHBondContact O-CE 3.4Å; V241-M254 HydrophobicContact CB-CB 4.45Å; V241-M254 HydrophobicContact CG1-CB 3.65Å; V241-M254 HydrophobicContact CG2-CB 3.85Å; V241-M254 HydrophobicContact CG2-CG 4.39Å; V241-M254 HydrophobicContact CG2-SD 3.89Å; V241-L255 HydrophobicContact CG1-CD2 3.85Å; V241-L255 HydrophobicContact CG1-CG 4Å; V241-F258 HydrophobicContact CG2-CD2 4.19Å; V241-F258 HydrophobicContact CG2-CE2 4Å; V241-F297 HydrophobicContact CG1-CD2 4.5Å; V241-F297 HydrophobicContact CG1-CE2 4.4Å
242G98.8Very high98.4Very high0 Ų025.9 Ų25.90%015%0.153CC..Hα-helixtrans-61.3-36176.900000113.4Y238 M239 W240 M244 K251 P296Y238-G242 PolarHBondContact O-N 2.86Å; M239-G242 PolarHBondContact O-N 2.83Å; M239-G242 VanDerWaalsContact O-N 3.16Å; W240-G242 VanDerWaalsContact C-N 3.34Å; G242-M244 VanDerWaalsContact C-N 3.34Å; G242-M244 PolarHBondContact O-N 3.44Å; G242-K251 PolarHBondContact O-NZ 3.12Å; G242-K251 VanDerWaalsContact O-NZ 3.14Å; G242-P296 CarbonylContact C-O 3.54Å; G242-P296 VanDerWaalsContact CA-C 3.49Å; G242-P296 WeakPolarHBondContact CA-O 3.09Å
243M98.9Very high98.4Very high4 Ų427.2 Ų27.22%0.0216%0.157CC..Hα-helixtrans-78.8-10.2-179.8-67.2-178.7175.900114.9M239 W240 V241 P296 F329 W333 F338 F340M239-M243 HydrophobicContact CG-CE 3.61Å; M239-M243 HydrophobicContact CG-SD 4.26Å; M239-M243 VanDerWaalsContact O-CG 3.28Å; M239-M243 WeakPolarHBondContact O-CG 3.49Å; M239-M243 PolarHBondContact O-N 3.18Å; M239-M243 HydrophobicContact SD-CE 4.07Å; W240-M243 HydrophobicContact CE3-SD 3.95Å; W240-M243 HydrophobicContact CZ3-SD 4.01Å; W240-M243 PolarHBondContact O-N 3.35Å; V241-M243 VanDerWaalsContact C-N 3.28Å; V241-M243 PolarHBondContact O-N 3.35Å; M243-P296 HydrophobicContact CE-CG 3.81Å; M243-P296 HydrophobicContact CG-CB 3.76Å; M243-P296 HydrophobicContact CG-CG 3.92Å; M243-F329 VanDerWaalsContact CE-C 3.47Å; M243-F329 HydrophobicContact CE-CB 3.93Å; M243-F329 WeakPolarHBondContact CE-O 3.41Å; M243-W333 HydrophobicContact CE-CB 3.7Å; M243-W333 HydrophobicContact CE-CG 4.17Å; M243-W333 HydrophobicContact CG-CB 4.44Å; M243-W333 HydrophobicContact CG-CD2 4.4Å; M243-W333 HydrophobicContact CG-CG 3.91Å; M243-F338 HydrophobicContact CE-CE2 4.16Å; M243-F338 HydrophobicContact CE-CZ 4.1Å; M243-F338 HydrophobicContact SD-CE2 4.07Å; M243-F340 HydrophobicContact CB-CD2 4.13Å; M243-F340 HydrophobicContact CB-CE2 4.11Å; M243-F340 HydrophobicContact SD-CE2 4.12Å
244M98.9Very high98.4Very high2 Ų225.5 Ų25.51%0.0115%0.148CC..SBendtrans-60.2146.6174.7-65.2171.473.400110.7P175 T176 W240 V241 G242 D248 Q250 K251 M254P175-M244 HydrophobicContact CB-CE 3.75Å; P175-M244 HydrophobicContact CB-CG 4.08Å; P175-M244 HydrophobicContact CB-SD 3.65Å; P175-M244 HydrophobicContact CG-CE 4.5Å; P175-M244 HydrophobicContact CG-SD 3.87Å; T176-M244 HydrophobicContact CG2-CG 4.22Å; W240-M244 WeakPolarHBondContact O-CG 3.24Å; W240-M244 PolarHBondContact O-N 2.88Å; V241-M244 WeakPolarHBondContact O-CB 3.41Å; V241-M244 PolarHBondContact O-N 3.31Å; G242-M244 VanDerWaalsContact C-N 3.34Å; G242-M244 PolarHBondContact O-N 3.44Å; M244-D248 HydrophobicContact CE-CB 4.13Å; M244-Q250 HydrophobicContact CE-CB 3.82Å; M244-K251 HydrophobicContact CB-CB 4.05Å; M244-K251 HydrophobicContact CB-CD 3.84Å; M244-K251 HydrophobicContact CB-CG 3.92Å; M244-K251 HydrophobicContact CE-CB 4.02Å; M244-K251 WeakPolarHBondContact O-CD 3.45Å; M244-K251 VanDerWaalsContact O-CE 3.3Å; M244-K251 WeakPolarHBondContact O-CE 3.48Å; M244-K251 PolarHBondContact O-NZ 3.22Å; M244-K251 HydrophobicContact SD-CB 4.15Å; M244-K251 HydrophobicContact SD-CG 4.37Å; M244-M254 HydrophobicContact CE-SD 4.2Å; M244-M254 HydrophobicContact SD-SD 3.79Å
245P98.5Very high98.4Very high23 Ų2327.1 Ų27.115%0.14916%0.157CC..  trans-66.6141.8172.926.8-31.3000110.4S247 D248P245-S247 PolarHBondContact O-N 3.18Å; P245-S247 VanDerWaalsContact O-N 3.1Å; P245-D248 HydrophobicContact CG-CB 4.22Å; P245-D248 WeakPolarHBondContact O-CB 3.28Å; P245-D248 PolarHBondContact O-N 2.92Å
246D98.2Very high98.4Very high131 Ų13132.7 Ų32.770%0.70119%0.187SC*.THydrogen-bonded Turntrans-62.3-21.8-177.8-63.9-31.6000113.2D248 K251D246-D248 PolarHBondContact O-N 3.35Å; D246-K251 IonicContact OD1-NZ 3.83Å; D246-K251 PolarHBondContact OD1-NZ 3.02Å
247S97.9Very high98.4Very high75 Ų7536.9 Ų36.952%0.52420%0.202SC..THydrogen-bonded Turntrans-69.9-14.8173.463.40000114P245 P249 T342P245-S247 PolarHBondContact O-N 3.18Å; P245-S247 VanDerWaalsContact O-N 3.1Å; S247-P249 WeakPolarHBondContact O-CD 3.31Å; S247-T342 PolarHBondContact OG-OG1 2.82Å
248D97.7Very high98.4Very high7 Ų736.8 Ų36.84%0.03720%0.202CC..  trans-76.8118.3-178.9-168.9-36.7000110.7M244 P245 D246 Q250 K251M244-D248 HydrophobicContact CE-CB 4.13Å; P245-D248 HydrophobicContact CG-CB 4.22Å; P245-D248 WeakPolarHBondContact O-CB 3.28Å; P245-D248 PolarHBondContact O-N 2.92Å; D246-D248 PolarHBondContact O-N 3.35Å; D248-Q250 PolarHBondContact O-N 3.05Å; D248-Q250 VanDerWaalsContact O-N 3.14Å; D248-Q250 VanDerWaalsContact OD1-CB 3.28Å; D248-Q250 WeakPolarHBondContact OD1-CB 3.16Å; D248-Q250 WeakPolarHBondContact OD1-CG 3.16Å; D248-Q250 PolarHBondContact OD1-N 3.27Å; D248-K251 HydrophobicContact CB-CB 4.47Å; D248-K251 WeakPolarHBondContact O-CB 3.4Å; D248-K251 PolarHBondContact O-N 2.95Å
249P94.7Very high98.4Very high84 Ų8442.7 Ų42.755%0.54523%0.227SC..Hα-helixtrans-64.1-19.7-17927.6-36.3000113.8S247 R253S247-P249 WeakPolarHBondContact O-CD 3.31Å; P249-R253 PolarHBondContact O-NH1 3.02Å
250Q98.1Very high98.4Very high5 Ų544.9 Ų44.92%0.02324%0.242CC..Hα-helixtrans-72.9-31.4175.4-55.4-164.4-10.400111.7Q196 M244 D248 A252 R253 M254Q196-Q250 VanDerWaalsContact OE1-NE2 3.11Å; M244-Q250 HydrophobicContact CE-CB 3.82Å; D248-Q250 PolarHBondContact O-N 3.05Å; D248-Q250 VanDerWaalsContact O-N 3.14Å; D248-Q250 VanDerWaalsContact OD1-CB 3.28Å; D248-Q250 WeakPolarHBondContact OD1-CB 3.16Å; D248-Q250 WeakPolarHBondContact OD1-CG 3.16Å; D248-Q250 PolarHBondContact OD1-N 3.27Å; Q250-A252 PolarHBondContact O-N 2.79Å; Q250-R253 PolarHBondContact O-N 2.92Å; Q250-M254 HydrophobicContact CB-CE 4.15Å; Q250-M254 WeakPolarHBondContact O-CG 3.45Å; Q250-M254 PolarHBondContact O-N 3.42Å
251K98.7Very high98.4Very high10 Ų1045 Ų454%0.04324%0.242CC..Hα-helixtrans-57.9-48.5-175.8-172.3-179-170.3175.80111.8V241 G242 M244 D246 D248 R253 M254 L255V241-K251 WeakPolarHBondContact O-CE 3.4Å; G242-K251 PolarHBondContact O-NZ 3.12Å; G242-K251 VanDerWaalsContact O-NZ 3.14Å; M244-K251 HydrophobicContact CB-CB 4.05Å; M244-K251 HydrophobicContact CB-CD 3.84Å; M244-K251 HydrophobicContact CB-CG 3.92Å; M244-K251 HydrophobicContact CE-CB 4.02Å; M244-K251 WeakPolarHBondContact O-CD 3.45Å; M244-K251 VanDerWaalsContact O-CE 3.3Å; M244-K251 WeakPolarHBondContact O-CE 3.48Å; M244-K251 PolarHBondContact O-NZ 3.22Å; M244-K251 HydrophobicContact SD-CB 4.15Å; M244-K251 HydrophobicContact SD-CG 4.37Å; D246-K251 IonicContact OD1-NZ 3.83Å; D246-K251 PolarHBondContact OD1-NZ 3.02Å; D248-K251 HydrophobicContact CB-CB 4.47Å; D248-K251 WeakPolarHBondContact O-CB 3.4Å; D248-K251 PolarHBondContact O-N 2.95Å; K251-R253 VanDerWaalsContact C-N 3.31Å; K251-R253 PolarHBondContact O-N 2.73Å; K251-M254 PolarHBondContact O-N 2.9Å; K251-L255 HydrophobicContact CD-CD1 4.39Å; K251-L255 HydrophobicContact CG-CD1 3.97Å; K251-L255 HydrophobicContact CG-CG 4.2Å; K251-L255 WeakPolarHBondContact O-CB 3.29Å; K251-L255 WeakPolarHBondContact O-CG 3.1Å; K251-L255 PolarHBondContact O-N 3.42Å
252A98Very high98.4Very high70 Ų7045.5 Ų45.558%0.57925%0.247SC*.Hα-helixtrans-59.3-41-17900000112.5Q250 N256Q250-A252 PolarHBondContact O-N 2.79Å; A252-N256 WeakPolarHBondContact O-CB 3.43Å; A252-N256 PolarHBondContact O-N 2.86Å; A252-N256 VanDerWaalsContact O-N 3.08Å
253R98.4Very high98.4Very high113 Ų11348.6 Ų48.643%0.42627%0.266SS..Hα-helixtrans-66.4-43177.2-67.5-168.2-67.5-85.73.8111.8L200 P249 Q250 K251 N256 R257L200-R253 HydrophobicContact CD1-CB 4.34Å; P249-R253 PolarHBondContact O-NH1 3.02Å; Q250-R253 PolarHBondContact O-N 2.92Å; K251-R253 VanDerWaalsContact C-N 3.31Å; K251-R253 PolarHBondContact O-N 2.73Å; R253-N256 PolarHBondContact O-N 2.88Å; R253-R257 WeakPolarHBondContact O-CB 3.27Å; R253-R257 PolarHBondContact O-N 2.91Å
254M98.8Very high98.4Very high0 Ų050.7 Ų50.70%028%0.275CS..Hα-helixtrans-68.5-45.7180-67.7175.5-179.200111.8P175 Q196 L199 L200 V241 M244 Q250 K251 N256 R257 F258P175-M254 HydrophobicContact CB-CE 4.46Å; P175-M254 HydrophobicContact CB-SD 4.47Å; P175-M254 HydrophobicContact CG-CE 4.11Å; P175-M254 HydrophobicContact CG-SD 3.89Å; Q196-M254 HydrophobicContact CB-CE 4.07Å; Q196-M254 HydrophobicContact CG-CE 3.85Å; L199-M254 HydrophobicContact CD1-CE 3.66Å; L199-M254 HydrophobicContact CD1-SD 3.98Å; L200-M254 HydrophobicContact CD2-CB 4.5Å; L200-M254 HydrophobicContact CD2-CG 3.94Å; V241-M254 HydrophobicContact CB-CB 4.45Å; V241-M254 HydrophobicContact CG1-CB 3.65Å; V241-M254 HydrophobicContact CG2-CB 3.85Å; V241-M254 HydrophobicContact CG2-CG 4.39Å; V241-M254 HydrophobicContact CG2-SD 3.89Å; M244-M254 HydrophobicContact CE-SD 4.2Å; M244-M254 HydrophobicContact SD-SD 3.79Å; Q250-M254 HydrophobicContact CB-CE 4.15Å; Q250-M254 WeakPolarHBondContact O-CG 3.45Å; Q250-M254 PolarHBondContact O-N 3.42Å; K251-M254 PolarHBondContact O-N 2.9Å; M254-N256 VanDerWaalsContact C-N 3.31Å; M254-N256 PolarHBondContact O-N 3.46Å; M254-R257 PolarHBondContact O-N 2.7Å; M254-R257 VanDerWaalsContact O-N 3.16Å; M254-F258 HydrophobicContact CB-CD2 4.35Å; M254-F258 HydrophobicContact CB-CE2 4.21Å; M254-F258 WeakPolarHBondContact O-CD2 3.41Å; M254-F258 PolarHBondContact O-N 2.84Å
255L98.7Very high98.4Very high35 Ų3550.7 Ų50.718%0.18328%0.275CS..Hα-helixtrans-56.7-45.5173.7-75.3177.1000111.5V241 K251 R257 F258 K259 F297 Q299V241-L255 HydrophobicContact CG1-CD2 3.85Å; V241-L255 HydrophobicContact CG1-CG 4Å; K251-L255 HydrophobicContact CD-CD1 4.39Å; K251-L255 HydrophobicContact CG-CD1 3.97Å; K251-L255 HydrophobicContact CG-CG 4.2Å; K251-L255 WeakPolarHBondContact O-CB 3.29Å; K251-L255 WeakPolarHBondContact O-CG 3.1Å; K251-L255 PolarHBondContact O-N 3.42Å; L255-R257 PolarHBondContact O-N 3.11Å; L255-F258 PolarHBondContact O-N 2.8Å; L255-K259 PolarHBondContact O-N 3.46Å; L255-F297 HydrophobicContact CD2-CD2 3.78Å; L255-F297 HydrophobicContact CD2-CE2 3.68Å; L255-Q299 HydrophobicContact CD1-CG 4.28Å
256N98.6Very high98.4Very high119 Ų11953.6 Ų53.664%0.63629%0.287SS*.Hα-helixtrans-62.9-42.2177.1-177.263.9000112.1A252 R253 M254 F258 K259A252-N256 WeakPolarHBondContact O-CB 3.43Å; A252-N256 PolarHBondContact O-N 2.86Å; A252-N256 VanDerWaalsContact O-N 3.08Å; R253-N256 PolarHBondContact O-N 2.88Å; M254-N256 VanDerWaalsContact C-N 3.31Å; M254-N256 PolarHBondContact O-N 3.46Å; N256-F258 VanDerWaalsContact C-N 3.34Å; N256-F258 PolarHBondContact O-N 3.5Å; N256-K259 WeakPolarHBondContact O-CB 3.47Å; N256-K259 PolarHBondContact O-N 3.17Å
257R98.8Very high98.4Very high91 Ų9155.8 Ų55.834%0.34329%0.29SS..Hα-helixtrans-62.1-41.4178177.654.6124.2179.5-3.1112.2L200 A203 G206 R253 M254 L255L200-R257 HydrophobicContact CD2-CB 3.75Å; L200-R257 HydrophobicContact CD2-CG 4.06Å; L200-R257 PolarHBondContact O-NE 3.15Å; L200-R257 PolarHBondContact O-NH2 3.05Å; A203-R257 HydrophobicContact CB-CG 4.31Å; A203-R257 PolarHBondContact O-NE 3.31Å; A203-R257 PolarHBondContact O-NH1 2.86Å; G206-R257 WeakPolarHBondContact CA-O 3.07Å; R253-R257 WeakPolarHBondContact O-CB 3.27Å; R253-R257 PolarHBondContact O-N 2.91Å; M254-R257 PolarHBondContact O-N 2.7Å; M254-R257 VanDerWaalsContact O-N 3.16Å; L255-R257 PolarHBondContact O-N 3.11Å
258F98.9Very high98.4Very high0 Ų055.3 Ų55.30%028%0.281CS..Hα-helixtrans-93.25.6-176.5-58-53.1000114.5L199 A203 G206 V237 Y238 V241 M254 L255 N256 M261 F297L199-F258 HydrophobicContact CB-CZ 4.23Å; L199-F258 VanDerWaalsContact O-CZ 3.29Å; L199-F258 WeakPolarHBondContact O-CZ 3.34Å; A203-F258 HydrophobicContact CB-CD1 4.11Å; A203-F258 HydrophobicContact CB-CE1 3.58Å; G206-F258 WeakPolarHBondContact O-CA 3.29Å; V237-F258 HydrophobicContact CG1-CD2 4.49Å; V237-F258 HydrophobicContact CG1-CE1 4.44Å; V237-F258 HydrophobicContact CG1-CE2 3.79Å; V237-F258 HydrophobicContact CG1-CZ 3.76Å; Y238-F258 HydrophobicContact CD1-CB 3.89Å; Y238-F258 HydrophobicContact CD1-CD1 4.47Å; Y238-F258 HydrophobicContact CD1-CG 4.09Å; Y238-F258 HydrophobicContact CE1-CB 3.96Å; Y238-F258 AromaticContact CE1-CD1 3.97Å; Y238-F258 HydrophobicContact CE1-CD1 3.97Å; Y238-F258 HydrophobicContact CE1-CG 4.02Å; V241-F258 HydrophobicContact CG2-CD2 4.19Å; V241-F258 HydrophobicContact CG2-CE2 4Å; M254-F258 HydrophobicContact CB-CD2 4.35Å; M254-F258 HydrophobicContact CB-CE2 4.21Å; M254-F258 WeakPolarHBondContact O-CD2 3.41Å; M254-F258 PolarHBondContact O-N 2.84Å; L255-F258 PolarHBondContact O-N 2.8Å; N256-F258 VanDerWaalsContact C-N 3.34Å; N256-F258 PolarHBondContact O-N 3.5Å; F258-M261 WeakPolarHBondContact O-CB 3.44Å; F258-M261 PolarHBondContact O-N 3.02Å; F258-F297 HydrophobicContact CB-CE2 3.95Å; F258-F297 HydrophobicContact CB-CZ 3.6Å
259K98.8Very high98.5Very high124 Ų12456.3 Ų56.354%0.53929%0.293SS..Hα-helixtrans-46.6-37.9179.2-175.1175.6-178.8176.70114.2L255 N256 M261 A262 T263L255-K259 PolarHBondContact O-N 3.46Å; N256-K259 WeakPolarHBondContact O-CB 3.47Å; N256-K259 PolarHBondContact O-N 3.17Å; K259-M261 VanDerWaalsContact C-N 3.26Å; K259-M261 PolarHBondContact O-N 2.65Å; K259-A262 WeakPolarHBondContact O-CB 3.4Å; K259-A262 PolarHBondContact O-N 3.47Å; K259-T263 PolarHBondContact O-N 3.13Å; K259-T263 PolarHBondContact O-OG1 3.03Å; K259-T263 VanDerWaalsContact O-OG1 3.14Å
260P98.8Very high98.7Very high47 Ų4755.6 Ų55.631%0.30528%0.28SS..Hα-helixtrans-55.4-32.9176.3-31.240.8000115.4K205 F207 F264K205-P260 WeakPolarHBondContact O-CG 3.38Å; F207-P260 HydrophobicContact CD2-CB 4.45Å; F207-P260 HydrophobicContact CE2-CB 3.74Å; F207-P260 HydrophobicContact CZ-CB 3.79Å; P260-F264 WeakPolarHBondContact O-CB 3.03Å; P260-F264 PolarHBondContact O-N 3.15Å
261M98.9Very high98.7Very high4 Ų455.3 Ų55.32%0.0228%0.279CS..Hα-helixtrans-66.3-43.3173.8178.857.686.500111.9F207 Y238 F258 K259 F264 T265 P272 V275 M294 F297F207-M261 HydrophobicContact CD1-CB 4.19Å; F207-M261 HydrophobicContact CD1-CE 3.77Å; F207-M261 HydrophobicContact CD1-SD 4.43Å; F207-M261 HydrophobicContact CE1-CB 4.05Å; F207-M261 HydrophobicContact CE1-CE 4.08Å; F207-M261 HydrophobicContact CE1-SD 4.18Å; Y238-M261 HydrophobicContact CD1-CB 4.06Å; Y238-M261 HydrophobicContact CD1-CG 4Å; Y238-M261 HydrophobicContact CD2-CE 4.2Å; Y238-M261 HydrophobicContact CD2-CG 4.15Å; Y238-M261 HydrophobicContact CE1-CB 3.76Å; Y238-M261 HydrophobicContact CE1-CE 4.39Å; Y238-M261 HydrophobicContact CE1-CG 3.94Å; Y238-M261 HydrophobicContact CE2-CE 3.43Å; Y238-M261 VanDerWaalsContact CE2-CE 3.43Å; Y238-M261 HydrophobicContact CE2-CG 4.12Å; Y238-M261 HydrophobicContact CG-CG 4.1Å; F258-M261 WeakPolarHBondContact O-CB 3.44Å; F258-M261 PolarHBondContact O-N 3.02Å; K259-M261 VanDerWaalsContact C-N 3.26Å; K259-M261 PolarHBondContact O-N 2.65Å; M261-F264 PolarHBondContact O-N 2.97Å; M261-T265 PolarHBondContact O-N 3.24Å; M261-T265 VanDerWaalsContact O-N 3.08Å; M261-T265 PolarHBondContact O-OG1 2.91Å; M261-P272 HydrophobicContact CE-CG 4.07Å; M261-P272 VanDerWaalsContact SD-CD 3.59Å; M261-P272 HydrophobicContact SD-CG 3.96Å; M261-V275 HydrophobicContact CE-CG2 4.47Å; M261-M294 HydrophobicContact CG-CE 4.44Å; M261-M294 HydrophobicContact CG-SD 3.92Å; M261-F297 HydrophobicContact CB-CE1 4.1Å; M261-F297 HydrophobicContact CG-CE1 4.2Å
262A98.9Very high98.7Very high11 Ų1155 Ų559%0.09128%0.278CS..Hα-helixtrans-63.2-50.5175.300000110.3K259 F264 T265 E266 F297 L298K259-A262 WeakPolarHBondContact O-CB 3.4Å; K259-A262 PolarHBondContact O-N 3.47Å; A262-F264 VanDerWaalsContact C-N 3.31Å; A262-F264 PolarHBondContact O-N 3.02Å; A262-T265 PolarHBondContact O-N 2.83Å; A262-E266 WeakPolarHBondContact O-CB 3.41Å; A262-E266 VanDerWaalsContact O-CG 3.24Å; A262-E266 WeakPolarHBondContact O-CG 3.42Å; A262-E266 PolarHBondContact O-N 2.56Å; A262-F297 HydrophobicContact CB-CD1 4.37Å; A262-F297 HydrophobicContact CB-CE1 3.76Å; A262-F297 HydrophobicContact CB-CZ 4.49Å; A262-L298 HydrophobicContact CB-CD2 3.8Å
263T98.8Very high98.7Very high66 Ų6654.1 Ų54.141%0.40526%0.262SS..Hα-helixtrans-56.9-41.9178.2-55.80000112.4K259 K267K259-T263 PolarHBondContact O-N 3.13Å; K259-T263 PolarHBondContact O-OG1 3.03Å; K259-T263 VanDerWaalsContact O-OG1 3.14Å; T263-K267 VanDerWaalsContact O-CB 3.29Å; T263-K267 WeakPolarHBondContact O-CB 3.41Å; T263-K267 PolarHBondContact O-N 2.62Å
264F98.8Very high98.8Very high47 Ų4753 Ų5321%0.20626%0.26CS..Hα-helixtrans-62.3-48176-177.8-78.3000110.9P260 M261 A262 K267 N268 Y270 P272 A282P260-F264 WeakPolarHBondContact O-CB 3.03Å; P260-F264 PolarHBondContact O-N 3.15Å; M261-F264 PolarHBondContact O-N 2.97Å; A262-F264 VanDerWaalsContact C-N 3.31Å; A262-F264 PolarHBondContact O-N 3.02Å; F264-K267 PolarHBondContact O-N 3.26Å; F264-N268 HydrophobicContact CD1-CB 4.49Å; F264-N268 HydrophobicContact CE1-CB 4.11Å; F264-N268 WeakPolarHBondContact CE2-ND2 3.46Å; F264-N268 HydrophobicContact CZ-CB 4.45Å; F264-N268 WeakPolarHBondContact CZ-ND2 3.31Å; F264-N268 WeakPolarHBondContact O-CB 3.37Å; F264-N268 PolarHBondContact O-N 3.48Å; F264-N268 PolarHBondContact O-ND2 2.94Å; F264-Y270 HydrophobicContact CE1-CD2 4.41Å; F264-Y270 HydrophobicContact CE1-CE2 4.18Å; F264-Y270 HydrophobicContact CZ-CE2 4.46Å; F264-P272 HydrophobicContact CD1-CB 4.2Å; F264-P272 VanDerWaalsContact CD1-CD 3.49Å; F264-P272 HydrophobicContact CD1-CG 3.95Å; F264-P272 HydrophobicContact CE1-CB 3.71Å; F264-P272 HydrophobicContact CE1-CG 4Å; F264-P272 HydrophobicContact CG-CG 4.45Å; F264-P272 HydrophobicContact CZ-CB 3.96Å; F264-A282 HydrophobicContact CD2-CB 3.88Å; F264-A282 HydrophobicContact CE2-CB 3.36Å; F264-A282 HydrophobicContact CZ-CB 3.85Å
265T98.8Very high98.7Very high2 Ų253 Ų531%0.01226%0.26CS..Hα-helixtrans-63.8-44.9-177.9-570000111.1M261 A262 K267 G269 Y270 M294 L298 Q307M261-T265 PolarHBondContact O-N 3.24Å; M261-T265 VanDerWaalsContact O-N 3.08Å; M261-T265 PolarHBondContact O-OG1 2.91Å; A262-T265 PolarHBondContact O-N 2.83Å; T265-K267 PolarHBondContact O-N 2.83Å; T265-G269 WeakPolarHBondContact O-CA 3.38Å; T265-G269 PolarHBondContact O-N 3.07Å; T265-Y270 PolarHBondContact O-N 3.3Å; T265-M294 HydrophobicContact CG2-CG 4.26Å; T265-L298 HydrophobicContact CG2-CD1 4.08Å; T265-Q307 HydrophobicContact CG2-CG 3.92Å
266E98.6Very high98.7Very high85 Ų8553.1 Ų53.140%0.39726%0.261SS..Hα-helixtrans-56.7-46.7174.7-72.3172.7-17200111.7A262 L298 A303A262-E266 WeakPolarHBondContact O-CB 3.41Å; A262-E266 VanDerWaalsContact O-CG 3.24Å; A262-E266 WeakPolarHBondContact O-CG 3.42Å; A262-E266 PolarHBondContact O-N 2.56Å; E266-L298 HydrophobicContact CG-CD2 4.27Å; E266-A303 HydrophobicContact CB-CB 4.3Å; E266-A303 HydrophobicContact CG-CB 3.5Å; E266-A303 VanDerWaalsContact CG-CB 3.5Å
267K98.5Very high98.7Very high177 Ų17747.5 Ų47.577%0.7723%0.231SC*.Hα-helixtrans-71.7-37.9-176.6-176.1178.9178-1770113.5T263 F264 T265T263-K267 VanDerWaalsContact O-CB 3.29Å; T263-K267 WeakPolarHBondContact O-CB 3.41Å; T263-K267 PolarHBondContact O-N 2.62Å; F264-K267 PolarHBondContact O-N 3.26Å; T265-K267 PolarHBondContact O-N 2.83Å
268N98.7Very high98.7Very high65 Ų6544.2 Ų44.235%0.34822%0.223SC..Hα-helixtrans-99.3-11.6-172.6-62.4-82.3000113.2F264 Y270F264-N268 HydrophobicContact CD1-CB 4.49Å; F264-N268 HydrophobicContact CE1-CB 4.11Å; F264-N268 WeakPolarHBondContact CE2-ND2 3.46Å; F264-N268 HydrophobicContact CZ-CB 4.45Å; F264-N268 WeakPolarHBondContact CZ-ND2 3.31Å; F264-N268 WeakPolarHBondContact O-CB 3.37Å; F264-N268 PolarHBondContact O-N 3.48Å; F264-N268 PolarHBondContact O-ND2 2.94Å; N268-Y270 HydrophobicContact CB-CD1 4.24Å; N268-Y270 HydrophobicContact CB-CE1 3.98Å; N268-Y270 HydrophobicContact CB-CE2 4.41Å; N268-Y270 WeakPolarHBondContact O-CD1 3.47Å; N268-Y270 WeakPolarHBondContact O-CE1 3.38Å; N268-Y270 PolarHBondContact O-N 3.44Å
269G98.6Very high98.7Very high28 Ų2848.2 Ų48.229%0.28925%0.248SC..THydrogen-bonded Turntrans71.113.9-174.800000114.1T265 Q307T265-G269 WeakPolarHBondContact O-CA 3.38Å; T265-G269 PolarHBondContact O-N 3.07Å; G269-Q307 PolarHBondContact O-OE1 3.12Å
270Y98.8Very high98.6Very high68 Ų6843.4 Ų43.427%0.26723%0.234SC..SBendtrans-159.5150.9175.260.2-97000111.9F264 T265 N268 K285F264-Y270 HydrophobicContact CE1-CD2 4.41Å; F264-Y270 HydrophobicContact CE1-CE2 4.18Å; F264-Y270 HydrophobicContact CZ-CE2 4.46Å; T265-Y270 PolarHBondContact O-N 3.3Å; N268-Y270 HydrophobicContact CB-CD1 4.24Å; N268-Y270 HydrophobicContact CB-CE1 3.98Å; N268-Y270 HydrophobicContact CB-CE2 4.41Å; N268-Y270 WeakPolarHBondContact O-CD1 3.47Å; N268-Y270 WeakPolarHBondContact O-CE1 3.38Å; N268-Y270 PolarHBondContact O-N 3.44Å; Y270-K285 HydrophobicContact CD1-CD 4.01Å; Y270-K285 HydrophobicContact CD1-CG 4.36Å; Y270-K285 HydrophobicContact CD2-CB 3.82Å; Y270-K285 HydrophobicContact CD2-CD 4.11Å; Y270-K285 HydrophobicContact CD2-CG 3.56Å; Y270-K285 HydrophobicContact CE1-CD 4.43Å; Y270-K285 HydrophobicContact CE2-CB 3.86Å; Y270-K285 HydrophobicContact CE2-CG 4.09Å; Y270-K285 HydrophobicContact CG-CB 4.41Å; Y270-K285 HydrophobicContact CG-CD 3.83Å; Y270-K285 HydrophobicContact CG-CG 3.71Å
271P98.8Very high98.6Very high0 Ų047.7 Ų47.70%025%0.247CC..  trans-75.7146.6172.130.9-35.4000110.6G286 F290 S291 M294 Q307P271-G286 PolarHBondContact O-N 2.85Å; P271-F290 HydrophobicContact CB-CB 4.18Å; P271-F290 HydrophobicContact CG-CB 3.56Å; P271-S291 WeakPolarHBondContact CD-OG 3.16Å; P271-M294 HydrophobicContact CB-CG 4.07Å; P271-M294 HydrophobicContact CG-CG 4.38Å; P271-Q307 VanDerWaalsContact CD-NE2 3.32Å
272P98.8Very high98.6Very high2 Ų248.8 Ų48.81%0.01326%0.257CS..  trans-70.3154.8177.931.8-31.8000110.9M261 F264 V275 A282 F290M261-P272 HydrophobicContact CE-CG 4.07Å; M261-P272 VanDerWaalsContact SD-CD 3.59Å; M261-P272 HydrophobicContact SD-CG 3.96Å; F264-P272 HydrophobicContact CD1-CB 4.2Å; F264-P272 VanDerWaalsContact CD1-CD 3.49Å; F264-P272 HydrophobicContact CD1-CG 3.95Å; F264-P272 HydrophobicContact CE1-CB 3.71Å; F264-P272 HydrophobicContact CE1-CG 4Å; F264-P272 HydrophobicContact CG-CG 4.45Å; F264-P272 HydrophobicContact CZ-CB 3.96Å; P272-V275 HydrophobicContact CB-CG2 3.83Å; P272-V275 HydrophobicContact CG-CG2 3.32Å; P272-A282 HydrophobicContact CB-CB 3.86Å; P272-A282 HydrophobicContact CG-CB 4.39Å; P272-F290 WeakPolarHBondContact O-CD2 3.46Å; P272-F290 WeakPolarHBondContact O-CE2 3.4Å
273E98.8Very high98.5Very high53 Ų5353.5 Ų53.525%0.24828%0.277CS..SBendtrans-75.9-43.1173.9-167.7-160.4167.400110.9S231 Y232 Q283 G284S231-E273 WeakPolarHBondContact CA-O 3.49Å; S231-E273 WeakPolarHBondContact CB-O 3.05Å; Y232-E273 HydrophobicContact CE2-CG 4.21Å; Y232-E273 PolarHBondContact OH-OE1 2.89Å; E273-Q283 PolarHBondContact N-O 2.98Å; E273-Q283 VanDerWaalsContact N-O 3.13Å; E273-G284 PolarHBondContact N-O 3.48Å
274K98.7Very high98.5Very high89 Ų8952.4 Ų52.439%0.38728%0.28SS..EExtended strand (participates in β ladder)trans-138.6137.4-177.6-62.2176.1-175.2163.80109.9I229 S230 A282 Q283I229-K274 HydrophobicContact CD1-CD 4.36Å; I229-K274 HydrophobicContact CD1-CG 4.4Å; S230-K274 CarbonylContact O-C 3.51Å; S230-K274 WeakPolarHBondContact O-CA 3.33Å; K274-A282 CarbonylContact O-C 3.55Å; K274-A282 WeakPolarHBondContact O-CA 3.36Å; K274-Q283 PolarHBondContact N-O 3.37Å; K274-Q283 PolarHBondContact O-N 3.39Å
275V98.7Very high98.5Very high0 Ų055.7 Ų55.70%029%0.294CS..EExtended strand (participates in β ladder)trans-129.2123.9170.1-168.60000109.6F207 I229 S230 M261 P272 V277 K281 A282F207-V275 HydrophobicContact CB-CB 4.34Å; F207-V275 HydrophobicContact CB-CG1 4.18Å; F207-V275 HydrophobicContact CD1-CB 3.89Å; F207-V275 HydrophobicContact CD1-CG1 3.74Å; F207-V275 HydrophobicContact CD1-CG2 3.78Å; F207-V275 HydrophobicContact CD2-CG1 3.59Å; F207-V275 HydrophobicContact CE1-CB 4.32Å; F207-V275 HydrophobicContact CE1-CG1 3.95Å; F207-V275 HydrophobicContact CE1-CG2 3.87Å; F207-V275 HydrophobicContact CE2-CG1 3.82Å; F207-V275 HydrophobicContact CG-CB 4Å; F207-V275 HydrophobicContact CG-CG1 3.55Å; F207-V275 HydrophobicContact CG-CG2 4.4Å; F207-V275 HydrophobicContact CZ-CG1 3.99Å; I229-V275 CarbonylContact C-O 3.53Å; I229-V275 WeakPolarHBondContact CA-O 3.43Å; S230-V275 PolarHBondContact N-O 3.22Å; S230-V275 PolarHBondContact O-N 3.22Å; M261-V275 HydrophobicContact CE-CG2 4.47Å; P272-V275 HydrophobicContact CB-CG2 3.83Å; P272-V275 HydrophobicContact CG-CG2 3.32Å; V275-V277 PolarHBondContact O-N 3.36Å; V275-K281 WeakPolarHBondContact CA-O 3.35Å; V275-A282 HydrophobicContact CG1-CB 4.39Å; V275-A282 HydrophobicContact CG2-CB 3.95Å
276D98.5Very high98.5Very high38 Ų3855.6 Ų55.620%0.20329%0.293CS..EExtended strand (participates in β ladder)trans-65.4119.7170.4177.2-66000109.2A278 T279 G280 K281D276-A278 VanDerWaalsContact C-N 3.35Å; D276-A278 PolarHBondContact O-N 3.35Å; D276-A278 PolarHBondContact OD1-N 2.95Å; D276-A278 VanDerWaalsContact OD1-N 3.11Å; D276-T279 WeakPolarHBondContact CB-OG1 3.44Å; D276-T279 WeakPolarHBondContact OD1-CB 3.5Å; D276-T279 WeakPolarHBondContact OD1-CG2 3.41Å; D276-T279 PolarHBondContact OD1-N 3.23Å; D276-T279 PolarHBondContact OD1-OG1 3.19Å; D276-G280 VanDerWaalsContact O-CA 3.25Å; D276-G280 WeakPolarHBondContact O-CA 3.41Å; D276-G280 PolarHBondContact O-N 2.83Å; D276-K281 HydrophobicContact CB-CB 4.5Å; D276-K281 PolarHBondContact N-O 3.08Å
277V98.6Very high98.5Very high0 Ų053 Ų530%028%0.283CS..THydrogen-bonded Turntrans-72.4-30.4-169.6167.10000112.2T202 P204 K205 F207 P209 L228 V275T202-V277 WeakPolarHBondContact O-CG1 3.47Å; P204-V277 HydrophobicContact CG-CG1 4.34Å; K205-V277 WeakPolarHBondContact CG-O 3.5Å; F207-V277 HydrophobicContact CB-CG2 4.47Å; F207-V277 WeakPolarHBondContact O-CG1 3.39Å; P209-V277 HydrophobicContact CB-CG1 4.41Å; P209-V277 HydrophobicContact CB-CG2 3.93Å; L228-V277 HydrophobicContact CD2-CB 4.45Å; L228-V277 HydrophobicContact CD2-CG1 4.47Å; L228-V277 HydrophobicContact CG-CB 4.06Å; L228-V277 HydrophobicContact CG-CG1 4.25Å; L228-V277 WeakPolarHBondContact O-CB 3.46Å; L228-V277 PolarHBondContact O-N 2.66Å; L228-V277 VanDerWaalsContact O-N 3.14Å; V275-V277 PolarHBondContact O-N 3.36Å
278A98.1Very high98.5Very high23 Ų2345.3 Ų45.319%0.1925%0.251CS..THydrogen-bonded Turntrans-75-36.1-179.600000112K205 A224 D276K205-A278 WeakPolarHBondContact CE-O 3.33Å; K205-A278 VanDerWaalsContact CG-O 3.26Å; K205-A278 WeakPolarHBondContact CG-O 3.41Å; A224-A278 HydrophobicContact CB-CB 4.07Å; D276-A278 VanDerWaalsContact C-N 3.35Å; D276-A278 PolarHBondContact O-N 3.35Å; D276-A278 PolarHBondContact OD1-N 2.95Å; D276-A278 VanDerWaalsContact OD1-N 3.11Å
279T97.9Very high98.5Very high83 Ų8342.2 Ų42.251%0.50924%0.235SC..THydrogen-bonded Turntrans-103.8-24.7-174.563.90000114D276 K281D276-T279 WeakPolarHBondContact CB-OG1 3.44Å; D276-T279 WeakPolarHBondContact OD1-CB 3.5Å; D276-T279 WeakPolarHBondContact OD1-CG2 3.41Å; D276-T279 PolarHBondContact OD1-N 3.23Å; D276-T279 PolarHBondContact OD1-OG1 3.19Å; T279-K281 VanDerWaalsContact C-N 3.28Å; T279-K281 WeakPolarHBondContact OG1-CB 3.36Å; T279-K281 PolarHBondContact OG1-N 2.75Å
280G98.1Very high98.5Very high24 Ų2441 Ų4125%0.24722%0.222CC..  trans77.89.6-171.500000113.6D276 A282D276-G280 VanDerWaalsContact O-CA 3.25Å; D276-G280 WeakPolarHBondContact O-CA 3.41Å; D276-G280 PolarHBondContact O-N 2.83Å; G280-A282 PolarHBondContact O-N 3.49Å
281K98.2Very high98.5Very high136 Ų13637.8 Ų37.859%0.59121%0.209SC*.  trans-74.2108.7-178.9-175.3-179177.8-177.60110.4V275 D276 T279V275-K281 WeakPolarHBondContact CA-O 3.35Å; D276-K281 HydrophobicContact CB-CB 4.5Å; D276-K281 PolarHBondContact N-O 3.08Å; T279-K281 VanDerWaalsContact C-N 3.28Å; T279-K281 WeakPolarHBondContact OG1-CB 3.36Å; T279-K281 PolarHBondContact OG1-N 2.75Å
282A98.5Very high98.5Very high28 Ų2837.8 Ų37.823%0.23121%0.209CC..EExtended strand (participates in β ladder)trans-83.3147.4176.300000112.7F264 P272 K274 V275 G280F264-A282 HydrophobicContact CD2-CB 3.88Å; F264-A282 HydrophobicContact CE2-CB 3.36Å; F264-A282 HydrophobicContact CZ-CB 3.85Å; P272-A282 HydrophobicContact CB-CB 3.86Å; P272-A282 HydrophobicContact CG-CB 4.39Å; K274-A282 CarbonylContact O-C 3.55Å; K274-A282 WeakPolarHBondContact O-CA 3.36Å; V275-A282 HydrophobicContact CG1-CB 4.39Å; V275-A282 HydrophobicContact CG2-CB 3.95Å; G280-A282 PolarHBondContact O-N 3.49Å
283Q98.1Very high98.5Very high109 Ų10937.7 Ų37.751%0.50921%0.208SC..EExtended strand (participates in β ladder)trans-144.5146.6179-61.3-178.341.800110.6E273 K274E273-Q283 PolarHBondContact N-O 2.98Å; E273-Q283 VanDerWaalsContact N-O 3.13Å; K274-Q283 PolarHBondContact N-O 3.37Å; K274-Q283 PolarHBondContact O-N 3.39Å
284G98.3Very high98.5Very high44 Ų4435.1 Ų35.145%0.45420%0.197SC..SBendtrans69.7174.217700000114.3E273E273-G284 PolarHBondContact N-O 3.48Å
285K98.6Very high98.6Very high115 Ų11530.9 Ų30.950%0.518%0.178SC..  trans-113.6116.4172.9174.4170.6-175.81790107.6Y270Y270-K285 HydrophobicContact CD1-CD 4.01Å; Y270-K285 HydrophobicContact CD1-CG 4.36Å; Y270-K285 HydrophobicContact CD2-CB 3.82Å; Y270-K285 HydrophobicContact CD2-CD 4.11Å; Y270-K285 HydrophobicContact CD2-CG 3.56Å; Y270-K285 HydrophobicContact CE1-CD 4.43Å; Y270-K285 HydrophobicContact CE2-CB 3.86Å; Y270-K285 HydrophobicContact CE2-CG 4.09Å; Y270-K285 HydrophobicContact CG-CB 4.41Å; Y270-K285 HydrophobicContact CG-CD 3.83Å; Y270-K285 HydrophobicContact CG-CG 3.71Å
286G98.6Very high98.6Very high0 Ų031 Ų310%018%0.179CC..  trans-59.8152.1-179.300000111.6P271 R310P271-G286 PolarHBondContact O-N 2.85Å; G286-R310 VanDerWaalsContact O-CZ 3.3Å; G286-R310 PolarHBondContact O-NH1 2.97Å; G286-R310 PolarHBondContact O-NH2 2.76Å
287P98.6Very high98.6Very high30 Ų3029.3 Ų29.320%0.19517%0.17CC..  trans-68.9179.9-178.634.2-39.8000111.6Y232 G289 F290 R310 N323Y232-P287 HydrophobicContact CE1-CG 4.08Å; P287-G289 VanDerWaalsContact C-N 3.27Å; P287-G289 PolarHBondContact O-N 2.96Å; P287-F290 HydrophobicContact CG-CD1 3.86Å; P287-F290 HydrophobicContact CG-CE1 4.1Å; P287-F290 HydrophobicContact CG-CG 4.37Å; P287-F290 WeakPolarHBondContact O-CB 3.46Å; P287-F290 PolarHBondContact O-N 3.16Å; P287-F290 VanDerWaalsContact O-N 3.15Å; P287-R310 PolarHBondContact O-NH1 2.67Å; P287-N323 VanDerWaalsContact CB-OD1 3.22Å; P287-N323 WeakPolarHBondContact CB-OD1 3.46Å; P287-N323 WeakPolarHBondContact CG-OD1 3.49Å
288V98.7Very high98.6Very high16 Ų1629.5 Ų29.510%0.09717%0.171CC..Hα-helixtrans-60.5-35.9-175.667.30000112.6F290 S291 A292 V311 N314 P316 N323V288-F290 PolarHBondContact O-N 3.5Å; V288-S291 WeakPolarHBondContact O-CA 3.09Å; V288-S291 VanDerWaalsContact O-CB 3.32Å; V288-S291 WeakPolarHBondContact O-CB 3.49Å; V288-S291 PolarHBondContact O-N 3.23Å; V288-A292 PolarHBondContact O-N 2.95Å; V288-V311 HydrophobicContact CG2-CB 4.38Å; V288-V311 HydrophobicContact CG2-CG2 4.19Å; V288-N314 HydrophobicContact CB-CB 4.21Å; V288-N314 WeakPolarHBondContact CG1-O 3.06Å; V288-N314 HydrophobicContact CG2-CB 3.99Å; V288-N314 WeakPolarHBondContact CG2-O 3.29Å; V288-P316 HydrophobicContact CG1-CB 4.46Å; V288-N323 HydrophobicContact CG1-CB 3.94Å
289G98.8Very high98.6Very high0 Ų033.5 Ų33.50%019%0.185CC..Hα-helixtrans-59.5-32.4177.900000112.6P287 S291 A292 A293 N323 L326P287-G289 VanDerWaalsContact C-N 3.27Å; P287-G289 PolarHBondContact O-N 2.96Å; G289-S291 VanDerWaalsContact C-N 3.29Å; G289-S291 PolarHBondContact O-N 2.61Å; G289-A292 PolarHBondContact O-N 3.38Å; G289-A293 WeakPolarHBondContact O-CB 3.48Å; G289-A293 PolarHBondContact O-N 3.08Å; G289-N323 WeakPolarHBondContact CA-OD1 3.42Å; G289-N323 PolarHBondContact N-OD1 3.41Å; G289-L326 WeakPolarHBondContact O-CB 3.34Å
290F98.9Very high98.6Very high3 Ų333 Ų331%0.01318%0.18CC..Hα-helixtrans-67.1-35.1174.2-76.429000111.2S231 Y232 I235 P271 P272 P287 V288 A293 M294 Y322 L326S231-F290 WeakPolarHBondContact O-CZ 3.47Å; Y232-F290 AromaticContact CD1-CE1 3.8Å; Y232-F290 HydrophobicContact CD1-CE1 3.8Å; Y232-F290 HydrophobicContact CD1-CZ 4.04Å; Y232-F290 HydrophobicContact CD2-CZ 4.27Å; Y232-F290 HydrophobicContact CE1-CE1 4.15Å; Y232-F290 HydrophobicContact CE1-CZ 4.33Å; Y232-F290 HydrophobicContact CG-CE1 4.16Å; Y232-F290 HydrophobicContact CG-CZ 4Å; I235-F290 HydrophobicContact CB-CD1 4.09Å; I235-F290 HydrophobicContact CB-CD2 4.38Å; I235-F290 HydrophobicContact CB-CE1 4.02Å; I235-F290 HydrophobicContact CB-CE2 4.31Å; I235-F290 HydrophobicContact CB-CG 4.29Å; I235-F290 HydrophobicContact CB-CZ 4.14Å; I235-F290 HydrophobicContact CD1-CB 3.88Å; I235-F290 HydrophobicContact CD1-CD1 4.37Å; I235-F290 HydrophobicContact CD1-CD2 3.73Å; I235-F290 HydrophobicContact CD1-CE2 4.35Å; I235-F290 HydrophobicContact CD1-CG 3.74Å; I235-F290 HydrophobicContact CG1-CB 3.98Å; I235-F290 HydrophobicContact CG1-CD1 3.72Å; I235-F290 HydrophobicContact CG1-CD2 3.97Å; I235-F290 HydrophobicContact CG1-CE1 4.18Å; I235-F290 HydrophobicContact CG1-CE2 4.39Å; I235-F290 HydrophobicContact CG1-CG 3.62Å; I235-F290 HydrophobicContact CG1-CZ 4.5Å; I235-F290 HydrophobicContact CG2-CD1 4Å; I235-F290 HydrophobicContact CG2-CE1 3.77Å; I235-F290 HydrophobicContact CG2-CZ 4.27Å; P271-F290 HydrophobicContact CB-CB 4.18Å; P271-F290 HydrophobicContact CG-CB 3.56Å; P272-F290 WeakPolarHBondContact O-CD2 3.46Å; P272-F290 WeakPolarHBondContact O-CE2 3.4Å; P287-F290 HydrophobicContact CG-CD1 3.86Å; P287-F290 HydrophobicContact CG-CE1 4.1Å; P287-F290 HydrophobicContact CG-CG 4.37Å; P287-F290 WeakPolarHBondContact O-CB 3.46Å; P287-F290 PolarHBondContact O-N 3.16Å; P287-F290 VanDerWaalsContact O-N 3.15Å; V288-F290 PolarHBondContact O-N 3.5Å; F290-A293 PolarHBondContact O-N 2.9Å; F290-M294 WeakPolarHBondContact O-CG 3.36Å; F290-M294 PolarHBondContact O-N 3.2Å; F290-M294 VanDerWaalsContact O-N 3.13Å; F290-Y322 HydrophobicContact CE1-CE1 4.35Å; F290-L326 HydrophobicContact CD1-CD1 4.11Å
291S98.9Very high98.6Very high0 Ų040.6 Ų40.60%020%0.201CC..Hα-helixtrans-68.7-38.3175.3-62.10000112.2P271 V288 G289 M294 Q307 R310P271-S291 WeakPolarHBondContact CD-OG 3.16Å; V288-S291 WeakPolarHBondContact O-CA 3.09Å; V288-S291 VanDerWaalsContact O-CB 3.32Å; V288-S291 WeakPolarHBondContact O-CB 3.49Å; V288-S291 PolarHBondContact O-N 3.23Å; G289-S291 VanDerWaalsContact C-N 3.29Å; G289-S291 PolarHBondContact O-N 2.61Å; S291-M294 PolarHBondContact O-N 3Å; S291-Q307 PolarHBondContact OG-NE2 2.85Å; S291-R310 WeakPolarHBondContact OG-CD 3.31Å; S291-R310 PolarHBondContact OG-NH1 2.94Å
292A98.9Very high98.6Very high0 Ų040.1 Ų40.10%021%0.205CC..Hα-helixtrans-62.6-43.517200000111.8V288 G289 M294 L295 V311 T327 G330V288-A292 PolarHBondContact O-N 2.95Å; G289-A292 PolarHBondContact O-N 3.38Å; A292-M294 PolarHBondContact O-N 2.97Å; A292-L295 WeakPolarHBondContact O-CB 3.37Å; A292-L295 WeakPolarHBondContact O-CG 3.18Å; A292-L295 PolarHBondContact O-N 2.9Å; A292-V311 HydrophobicContact CB-CG1 4.48Å; A292-V311 HydrophobicContact CB-CG2 3.91Å; A292-T327 HydrophobicContact CB-CG2 4.38Å; A292-G330 VanDerWaalsContact O-CA 3.27Å; A292-G330 WeakPolarHBondContact O-CA 3.43Å
293A98.9Very high98.6Very high0 Ų039.3 Ų39.30%020%0.198CC..Hα-helixtrans-61.7-24.2176.300000113.8I235 M239 G289 F290I235-A293 HydrophobicContact CD1-CB 4.31Å; I235-A293 HydrophobicContact CG1-CB 3.67Å; M239-A293 WeakPolarHBondContact CA-O 3.48Å; M239-A293 HydrophobicContact CB-CB 4.04Å; M239-A293 HydrophobicContact CG-CB 4.4Å; M239-A293 HydrophobicContact SD-CB 3.91Å; G289-A293 WeakPolarHBondContact O-CB 3.48Å; G289-A293 PolarHBondContact O-N 3.08Å; F290-A293 PolarHBondContact O-N 2.9Å
294M98.9Very high98.6Very high0 Ų034.6 Ų34.60%018%0.176CC..Hα-helixtrans-78.4-18.5173.6-68.7-57.989.500113.8I235 Y238 M261 T265 P271 F290 S291 A292 F297 L298 Q307I235-M294 HydrophobicContact CD1-CE 3.57Å; Y238-M294 VanDerWaalsContact CB-CE 3.47Å; Y238-M294 HydrophobicContact CD2-CE 3.92Å; Y238-M294 HydrophobicContact CG-CE 3.96Å; M261-M294 HydrophobicContact CG-CE 4.44Å; M261-M294 HydrophobicContact CG-SD 3.92Å; T265-M294 HydrophobicContact CG2-CG 4.26Å; P271-M294 HydrophobicContact CB-CG 4.07Å; P271-M294 HydrophobicContact CG-CG 4.38Å; F290-M294 WeakPolarHBondContact O-CG 3.36Å; F290-M294 PolarHBondContact O-N 3.2Å; F290-M294 VanDerWaalsContact O-N 3.13Å; S291-M294 PolarHBondContact O-N 3Å; A292-M294 PolarHBondContact O-N 2.97Å; M294-F297 HydrophobicContact CE-CB 4.44Å; M294-F297 HydrophobicContact CE-CD1 4.25Å; M294-F297 PolarHBondContact O-N 2.58Å; M294-F297 HydrophobicContact SD-CD1 3.86Å; M294-L298 HydrophobicContact CB-CD1 4.05Å; M294-L298 HydrophobicContact CB-CG 4.16Å; M294-L298 WeakPolarHBondContact O-CG 2.99Å; M294-L298 PolarHBondContact O-N 3.14Å; M294-Q307 HydrophobicContact CB-CG 4.35Å
295L98.9Very high98.6Very high0 Ų034.6 Ų34.60%017%0.172CC..THydrogen-bonded Turntrans-60-43.8-175.4-60.1173000113.1A292 F297 Q304 Q307 R308 V311 Q331 D334A292-L295 WeakPolarHBondContact O-CB 3.37Å; A292-L295 WeakPolarHBondContact O-CG 3.18Å; A292-L295 PolarHBondContact O-N 2.9Å; L295-F297 VanDerWaalsContact C-N 3.33Å; L295-Q304 HydrophobicContact CD2-CG 4.35Å; L295-Q304 PolarHBondContact O-NE2 2.66Å; L295-Q307 HydrophobicContact CD2-CB 3.86Å; L295-R308 HydrophobicContact CD2-CB 4Å; L295-V311 HydrophobicContact CD1-CG2 4.43Å; L295-Q331 HydrophobicContact CD1-CB 4.2Å; L295-Q331 HydrophobicContact CD1-CG 4.49Å; L295-D334 HydrophobicContact CB-CB 4.05Å; L295-D334 HydrophobicContact CD1-CB 3.88Å
296P98.8Very high98.6Very high2 Ų232.5 Ų32.51%0.01317%0.169CC..THydrogen-bonded Turntrans-74.1-25.5174.7-1733.5000113.1M239 G242 M243 W333M239-P296 HydrophobicContact CG-CG 4.31Å; G242-P296 CarbonylContact C-O 3.54Å; G242-P296 VanDerWaalsContact CA-C 3.49Å; G242-P296 WeakPolarHBondContact CA-O 3.09Å; M243-P296 HydrophobicContact CE-CG 3.81Å; M243-P296 HydrophobicContact CG-CB 3.76Å; M243-P296 HydrophobicContact CG-CG 3.92Å; P296-W333 HydrophobicContact CB-CD2 3.78Å; P296-W333 HydrophobicContact CB-CE3 3.63Å; P296-W333 HydrophobicContact CB-CG 4.34Å; P296-W333 HydrophobicContact CB-CH2 4.32Å; P296-W333 HydrophobicContact CB-CZ2 4.44Å; P296-W333 HydrophobicContact CB-CZ3 3.93Å; P296-W333 HydrophobicContact CG-CB 4.15Å; P296-W333 HydrophobicContact CG-CD2 3.94Å; P296-W333 HydrophobicContact CG-CE3 3.77Å; P296-W333 HydrophobicContact CG-CG 4.13Å; P296-W333 HydrophobicContact CG-CZ3 4.49Å
297F98.9Very high98.6Very high3 Ų332.6 Ų32.61%0.01317%0.169CC..THydrogen-bonded Turntrans-84.1-39.9-170.9-178.2-113.1000113.3Y238 V241 L255 F258 M261 A262 M294 L295 Q299Y238-F297 HydrophobicContact CD1-CE1 4.21Å; Y238-F297 HydrophobicContact CD1-CE2 4.24Å; Y238-F297 AromaticContact CD1-CZ 3.98Å; Y238-F297 HydrophobicContact CD1-CZ 3.98Å; Y238-F297 WeakPolarHBondContact O-CB 3.31Å; Y238-F297 VanDerWaalsContact O-CD2 3.24Å; Y238-F297 WeakPolarHBondContact O-CD2 3.38Å; V241-F297 HydrophobicContact CG1-CD2 4.5Å; V241-F297 HydrophobicContact CG1-CE2 4.4Å; L255-F297 HydrophobicContact CD2-CD2 3.78Å; L255-F297 HydrophobicContact CD2-CE2 3.68Å; F258-F297 HydrophobicContact CB-CE2 3.95Å; F258-F297 HydrophobicContact CB-CZ 3.6Å; M261-F297 HydrophobicContact CB-CE1 4.1Å; M261-F297 HydrophobicContact CG-CE1 4.2Å; A262-F297 HydrophobicContact CB-CD1 4.37Å; A262-F297 HydrophobicContact CB-CE1 3.76Å; A262-F297 HydrophobicContact CB-CZ 4.49Å; M294-F297 HydrophobicContact CE-CB 4.44Å; M294-F297 HydrophobicContact CE-CD1 4.25Å; M294-F297 PolarHBondContact O-N 2.58Å; M294-F297 HydrophobicContact SD-CD1 3.86Å; L295-F297 VanDerWaalsContact C-N 3.33Å; F297-Q299 PolarHBondContact O-N 3.25Å; F297-Q299 PolarHBondContact O-NE2 2.74Å
298L98.8Very high98.6Very high4 Ų435 Ų352%0.02117%0.174CC..  trans-70125.5-179.8-69.5175.1000111.1A262 T265 E266 M294 A303 Q304 Q307A262-L298 HydrophobicContact CB-CD2 3.8Å; T265-L298 HydrophobicContact CG2-CD1 4.08Å; E266-L298 HydrophobicContact CG-CD2 4.27Å; M294-L298 HydrophobicContact CB-CD1 4.05Å; M294-L298 HydrophobicContact CB-CG 4.16Å; M294-L298 WeakPolarHBondContact O-CG 2.99Å; M294-L298 PolarHBondContact O-N 3.14Å; L298-A303 HydrophobicContact CD1-CB 4.14Å; L298-Q304 HydrophobicContact CB-CB 4.43Å; L298-Q307 HydrophobicContact CD1-CB 4.33Å; L298-Q307 HydrophobicContact CD1-CG 3.46Å; L298-Q307 VanDerWaalsContact CD1-CG 3.46Å
299Q98Very high98.6Very high106 Ų10639.4 Ų39.450%0.49519%0.194SC..  trans-93.7-20.9178.3-52.3-55.2-59.500112.2L255 F297L255-Q299 HydrophobicContact CD1-CG 4.28Å; F297-Q299 PolarHBondContact O-N 3.25Å; F297-Q299 PolarHBondContact O-NE2 2.74Å
300N98.1Very high98.6Very high73 Ų7341.2 Ų41.239%0.3920%0.2SC..  trans-78.6126174.2-179.5-71.2000110.5D302 A303 Q304N300-D302 PolarHBondContact OD1-N 3.43Å; N300-A303 HydrophobicContact CB-CB 4.12Å; N300-A303 PolarHBondContact OD1-N 3.19Å; N300-Q304 WeakPolarHBondContact O-CB 3.4Å; N300-Q304 PolarHBondContact O-N 3.3Å
301R97.8Very high98.6Very high183 Ų18341.1 Ų41.169%0.69120%0.2SC*.Hα-helixtrans-69.7-37-173.6-67.1-64.3179.7169.22.5114Q304 A305R301-Q304 PolarHBondContact O-N 3.1Å; R301-A305 WeakPolarHBondContact O-CB 3.4Å; R301-A305 PolarHBondContact O-N 3.04Å
302D98.1Very high98.6Very high127 Ų12743.8 Ų43.868%0.67922%0.222SC*.Hα-helixtrans-68.3-44.6178.6-64.3-20.1000110.3N300 Q304 A305 V306N300-D302 PolarHBondContact OD1-N 3.43Å; D302-Q304 VanDerWaalsContact C-N 3.34Å; D302-Q304 PolarHBondContact O-N 2.84Å; D302-A305 WeakPolarHBondContact O-CB 3.06Å; D302-A305 PolarHBondContact O-N 3.45Å; D302-A305 VanDerWaalsContact O-N 3.13Å; D302-V306 WeakPolarHBondContact O-CG2 3.29Å; D302-V306 PolarHBondContact O-N 3.33Å
303A98.5Very high98.5Very high11 Ų1148.9 Ų48.99%0.09125%0.25CC..Hα-helixtrans-63.5-4117500000112.1E266 L298 N300 A305 V306 Q307E266-A303 HydrophobicContact CB-CB 4.3Å; E266-A303 HydrophobicContact CG-CB 3.5Å; E266-A303 VanDerWaalsContact CG-CB 3.5Å; L298-A303 HydrophobicContact CD1-CB 4.14Å; N300-A303 HydrophobicContact CB-CB 4.12Å; N300-A303 PolarHBondContact OD1-N 3.19Å; A303-A305 VanDerWaalsContact C-N 3.29Å; A303-A305 PolarHBondContact O-N 2.85Å; A303-V306 PolarHBondContact O-N 3.03Å; A303-Q307 WeakPolarHBondContact O-CG 3.44Å; A303-Q307 PolarHBondContact O-N 3.24Å
304Q98.4Very high98.5Very high10 Ų1053.2 Ų53.25%0.04727%0.272CS..Hα-helixtrans-59.5-40.5172.8-163.3-172.543.800111.3L295 L298 N300 R301 D302 Q307 R308L295-Q304 HydrophobicContact CD2-CG 4.35Å; L295-Q304 PolarHBondContact O-NE2 2.66Å; L298-Q304 HydrophobicContact CB-CB 4.43Å; N300-Q304 WeakPolarHBondContact O-CB 3.4Å; N300-Q304 PolarHBondContact O-N 3.3Å; R301-Q304 PolarHBondContact O-N 3.1Å; D302-Q304 VanDerWaalsContact C-N 3.34Å; D302-Q304 PolarHBondContact O-N 2.84Å; Q304-Q307 PolarHBondContact O-N 2.79Å; Q304-R308 VanDerWaalsContact CD-NH2 3.3Å; Q304-R308 WeakPolarHBondContact O-CB 3.39Å; Q304-R308 PolarHBondContact O-N 3.05Å; Q304-R308 VanDerWaalsContact OE1-NH2 3.16Å
305A98.6Very high98.5Very high44 Ų4456.9 Ų56.936%0.36429%0.289SS..Hα-helixtrans-66-41.2176.700000112.9R301 D302 A303 Q307 R308 Q309R301-A305 WeakPolarHBondContact O-CB 3.4Å; R301-A305 PolarHBondContact O-N 3.04Å; D302-A305 WeakPolarHBondContact O-CB 3.06Å; D302-A305 PolarHBondContact O-N 3.45Å; D302-A305 VanDerWaalsContact O-N 3.13Å; A303-A305 VanDerWaalsContact C-N 3.29Å; A303-A305 PolarHBondContact O-N 2.85Å; A305-Q307 VanDerWaalsContact C-N 3.32Å; A305-Q307 PolarHBondContact O-N 3.38Å; A305-R308 PolarHBondContact O-N 3.06Å; A305-Q309 WeakPolarHBondContact O-CB 3.28Å; A305-Q309 PolarHBondContact O-N 3Å
306V98.7Very high98.5Very high71 Ų7157.3 Ų57.343%0.4329%0.291SS..Hα-helixtrans-58.3-45.7173.1171.60000110.9D302 A303 Q309 R310D302-V306 WeakPolarHBondContact O-CG2 3.29Å; D302-V306 PolarHBondContact O-N 3.33Å; A303-V306 PolarHBondContact O-N 3.03Å; V306-Q309 PolarHBondContact O-N 3.49Å; V306-R310 PolarHBondContact O-N 3.05Å
307Q98.9Very high98.4Very high1 Ų159 Ų591%0.00531%0.309CS..Hα-helixtrans-66.6-39177.8-63.9-49.8111.800112.3T265 G269 P271 S291 M294 L295 L298 A303 Q304 A305 R310 V311T265-Q307 HydrophobicContact CG2-CG 3.92Å; G269-Q307 PolarHBondContact O-OE1 3.12Å; P271-Q307 VanDerWaalsContact CD-NE2 3.32Å; S291-Q307 PolarHBondContact OG-NE2 2.85Å; M294-Q307 HydrophobicContact CB-CG 4.35Å; L295-Q307 HydrophobicContact CD2-CB 3.86Å; L298-Q307 HydrophobicContact CD1-CB 4.33Å; L298-Q307 HydrophobicContact CD1-CG 3.46Å; L298-Q307 VanDerWaalsContact CD1-CG 3.46Å; A303-Q307 WeakPolarHBondContact O-CG 3.44Å; A303-Q307 PolarHBondContact O-N 3.24Å; Q304-Q307 PolarHBondContact O-N 2.79Å; A305-Q307 VanDerWaalsContact C-N 3.32Å; A305-Q307 PolarHBondContact O-N 3.38Å; Q307-R310 PolarHBondContact O-N 3.21Å; Q307-V311 WeakPolarHBondContact O-CG2 3.25Å; Q307-V311 PolarHBondContact O-N 2.84Å
308R98.7Very high98.3Very high82 Ų8262.2 Ų62.231%0.30933%0.332SS..Hα-helixtrans-61.8-45.3176.1-173-178.2-61.8105.74.8111.4L295 Q304 A305 R310 V311 A312 D334L295-R308 HydrophobicContact CD2-CB 4Å; Q304-R308 VanDerWaalsContact CD-NH2 3.3Å; Q304-R308 WeakPolarHBondContact O-CB 3.39Å; Q304-R308 PolarHBondContact O-N 3.05Å; Q304-R308 VanDerWaalsContact OE1-NH2 3.16Å; A305-R308 PolarHBondContact O-N 3.06Å; R308-R310 PolarHBondContact O-N 3.16Å; R308-V311 PolarHBondContact O-N 2.69Å; R308-A312 PolarHBondContact O-N 3.27Å; R308-D334 IonicContact CZ-OD1 2.69Å; R308-D334 IonicContact CZ-OD2 2.89Å; R308-D334 IonicContact NE-OD1 3.79Å; R308-D334 IonicContact NE-OD2 3.8Å; R308-D334 PolarHBondContact NE-OD2 3.36Å; R308-D334 IonicContact NH2-OD1 3.98Å; R308-D334 PolarHBondContact NH2-OD1 3.08Å; R308-D334 IonicContact NH2-OD2 2.7Å; R308-D334 PolarHBondContact NH2-OD2 2.94Å
309Q98.7Very high98.1Very high108 Ų10867.8 Ų67.851%0.50536%0.362SS..Hα-helixtrans-59-47.1175.3-174.163.536.900110.8A305 V306 V311 A312 D313A305-Q309 WeakPolarHBondContact O-CB 3.28Å; A305-Q309 PolarHBondContact O-N 3Å; V306-Q309 PolarHBondContact O-N 3.49Å; Q309-V311 VanDerWaalsContact C-N 3.28Å; Q309-V311 PolarHBondContact O-N 3.04Å; Q309-A312 PolarHBondContact O-N 2.87Å; Q309-A312 VanDerWaalsContact O-N 3.16Å; Q309-D313 WeakPolarHBondContact CG-OD2 3.28Å; Q309-D313 PolarHBondContact NE2-OD1 3.14Å; Q309-D313 PolarHBondContact NE2-OD2 2.89Å; Q309-D313 PolarHBondContact O-N 3.33Å
310R98.7Very high98.1Very high38 Ų3863.8 Ų63.814%0.14335%0.347CS..Hα-helixtrans-58.8-39.3177.2-175.9172.5-177.7-118.13.4112.4G286 P287 S291 V306 Q307 R308 N314G286-R310 VanDerWaalsContact O-CZ 3.3Å; G286-R310 PolarHBondContact O-NH1 2.97Å; G286-R310 PolarHBondContact O-NH2 2.76Å; P287-R310 PolarHBondContact O-NH1 2.67Å; S291-R310 WeakPolarHBondContact OG-CD 3.31Å; S291-R310 PolarHBondContact OG-NH1 2.94Å; V306-R310 PolarHBondContact O-N 3.05Å; Q307-R310 PolarHBondContact O-N 3.21Å; R308-R310 PolarHBondContact O-N 3.16Å; R310-N314 WeakPolarHBondContact O-CB 3.4Å; R310-N314 PolarHBondContact O-N 2.78Å; R310-N314 PolarHBondContact O-ND2 3.44Å
311V98.7Very high98.1Very high0 Ų061 Ų610%033%0.331CS..Hα-helixtrans-67.1-42.7176.8174.20000111.4V288 A292 L295 Q307 R308 Q309 F315 T327 Q331V288-V311 HydrophobicContact CG2-CB 4.38Å; V288-V311 HydrophobicContact CG2-CG2 4.19Å; A292-V311 HydrophobicContact CB-CG1 4.48Å; A292-V311 HydrophobicContact CB-CG2 3.91Å; L295-V311 HydrophobicContact CD1-CG2 4.43Å; Q307-V311 WeakPolarHBondContact O-CG2 3.25Å; Q307-V311 PolarHBondContact O-N 2.84Å; R308-V311 PolarHBondContact O-N 2.69Å; Q309-V311 VanDerWaalsContact C-N 3.28Å; Q309-V311 PolarHBondContact O-N 3.04Å; V311-F315 WeakPolarHBondContact O-CA 3.44Å; V311-F315 PolarHBondContact O-N 3.46Å; V311-F315 VanDerWaalsContact O-N 3.1Å; V311-T327 HydrophobicContact CG1-CG2 3.91Å; V311-Q331 HydrophobicContact CG1-CB 4.45Å; V311-Q331 HydrophobicContact CG1-CG 4.47Å
312A98.2Very high98.2Very high57 Ų5754.6 Ų54.647%0.47131%0.307SS..Hα-helixtrans-62.8-47177.600000111.9R308 Q309 N314R308-A312 PolarHBondContact O-N 3.27Å; Q309-A312 PolarHBondContact O-N 2.87Å; Q309-A312 VanDerWaalsContact O-N 3.16Å; A312-N314 VanDerWaalsContact C-N 3.29Å; A312-N314 PolarHBondContact O-N 3.35Å
313D98.3Very high98.2Very high107 Ų10750 Ų5057%0.57228%0.283SS*.Hα-helixtrans-73.7-18.9-176-65.6-19.3000113.7Q309Q309-D313 WeakPolarHBondContact CG-OD2 3.28Å; Q309-D313 PolarHBondContact NE2-OD1 3.14Å; Q309-D313 PolarHBondContact NE2-OD2 2.89Å; Q309-D313 PolarHBondContact O-N 3.33Å
314N98.5Very high98.2Very high90 Ų9049.6 Ų49.648%0.48128%0.279SS..THydrogen-bonded Turntrans-128.731.3-174.5-55.2-99000111.7V288 R310 A312V288-N314 HydrophobicContact CB-CB 4.21Å; V288-N314 WeakPolarHBondContact CG1-O 3.06Å; V288-N314 HydrophobicContact CG2-CB 3.99Å; V288-N314 WeakPolarHBondContact CG2-O 3.29Å; R310-N314 WeakPolarHBondContact O-CB 3.4Å; R310-N314 PolarHBondContact O-N 2.78Å; R310-N314 PolarHBondContact O-ND2 3.44Å; A312-N314 VanDerWaalsContact C-N 3.29Å; A312-N314 PolarHBondContact O-N 3.35Å
315F98.4Very high98.2Very high77 Ų7749.2 Ų49.234%0.33828%0.278SS..  trans-53.6133.4-175.8-166.9-88.9000111.1A17 V311 Y324 T327A17-F315 HydrophobicContact CB-CZ 3.98Å; V311-F315 WeakPolarHBondContact O-CA 3.44Å; V311-F315 PolarHBondContact O-N 3.46Å; V311-F315 VanDerWaalsContact O-N 3.1Å; F315-Y324 HydrophobicContact CE1-CE1 4.38Å; F315-Y324 AromaticContact CE1-CE2 3.78Å; F315-Y324 HydrophobicContact CE1-CE2 3.78Å; F315-Y324 AromaticContact CE1-CZ 3.66Å; F315-Y324 HydrophobicContact CZ-CE1 4.26Å; F315-Y324 HydrophobicContact CZ-CE2 4.44Å; F315-Y324 AromaticContact CZ-CZ 3.95Å; F315-T327 HydrophobicContact CD2-CG2 4.12Å; F315-T327 HydrophobicContact CE2-CG2 3.63Å; F315-T327 HydrophobicContact CZ-CG2 4.3Å
316P97.9Very high98.2Very high9 Ų947.2 Ų47.26%0.05826%0.261CS..  trans-65.3136.8-173.223.8-31.8000112.4V288 A320 N323 Y324 T327V288-P316 HydrophobicContact CG1-CB 4.46Å; P316-A320 HydrophobicContact CB-CB 4.07Å; P316-N323 HydrophobicContact CB-CB 4.03Å; P316-Y324 HydrophobicContact CB-CD2 3.93Å; P316-Y324 HydrophobicContact CB-CG 4.29Å; P316-Y324 HydrophobicContact CG-CD2 3.77Å; P316-Y324 HydrophobicContact CG-CE2 4.45Å; P316-Y324 HydrophobicContact CG-CG 3.87Å; P316-Y324 WeakPolarHBondContact O-CD2 3.49Å; P316-Y324 VanDerWaalsContact O-CE2 3.28Å; P316-Y324 WeakPolarHBondContact O-CE2 3.33Å; P316-T327 HydrophobicContact CG-CG2 4.45Å
317G97.2Very high98.2Very high38 Ų3843.9 Ų43.939%0.39224%0.241SC..  trans-83.4-154.4175.500000113.4Y25 Y324Y25-G317 PolarHBondContact OH-O 3.17Å; G317-Y324 WeakPolarHBondContact O-CD2 3.36Å
318S96.7Very high98.2Very high70 Ų7044 Ų4449%0.4924%0.241SC..THydrogen-bonded Turntrans-89.65.4-175.465.20000115.1Y25 P35Y25-S318 WeakPolarHBondContact OH-CA 3.28Å; P35-S318 WeakPolarHBondContact CG-O 3.29Å
319D95.7Very high98.2Very high121 Ų12140.1 Ų40.165%0.64723%0.226SC*.THydrogen-bonded Turntrans-122.412.7-178.766.2-19.7000113.1Y25Y25-D319 PolarHBondContact OH-N 3.18Å
320A97.5Very high98.2Very high23 Ų2335 Ų3519%0.1920%0.202CC..  trans-127.743.6-168.600000112.4Y25 P316 Y322 N323 Y324Y25-A320 PolarHBondContact OH-N 2.83Å; P316-A320 HydrophobicContact CB-CB 4.07Å; A320-Y322 VanDerWaalsContact C-N 3.32Å; A320-Y322 PolarHBondContact O-N 3.47Å; A320-Y322 VanDerWaalsContact O-N 3.12Å; A320-N323 HydrophobicContact CB-CB 4.32Å; A320-N323 WeakPolarHBondContact O-CB 3.28Å; A320-N323 PolarHBondContact O-N 2.71Å; A320-Y324 PolarHBondContact O-N 2.7Å
321Y98.4Very high98.2Very high13 Ų1334.1 Ų34.15%0.05120%0.2CC..Hα-helixtrans-39.1-55.9-173.7165.4-104.6000113.5F21 Y25 V32 D34 G46 N323 Y324 V325F21-Y321 HydrophobicContact CE2-CD2 4.22Å; F21-Y321 HydrophobicContact CE2-CE2 4.34Å; F21-Y321 HydrophobicContact CZ-CD2 4.35Å; F21-Y321 HydrophobicContact CZ-CE2 4.09Å; Y25-Y321 HydrophobicContact CD1-CD2 4.1Å; Y25-Y321 PolarHBondContact OH-N 3.35Å; V32-Y321 HydrophobicContact CG1-CD2 4.29Å; V32-Y321 HydrophobicContact CG1-CE2 3.54Å; D34-Y321 HydrophobicContact CB-CD1 3.83Å; D34-Y321 HydrophobicContact CB-CE1 4.49Å; D34-Y321 HydrophobicContact CB-CG 4.04Å; G46-Y321 WeakPolarHBondContact CA-OH 3.4Å; Y321-N323 PolarHBondContact O-N 2.99Å; Y321-Y324 WeakPolarHBondContact O-CB 3.39Å; Y321-Y324 PolarHBondContact O-N 3.4Å; Y321-Y324 VanDerWaalsContact O-N 3.09Å; Y321-V325 HydrophobicContact CD2-CG2 4.01Å; Y321-V325 HydrophobicContact CE1-CG2 4.41Å; Y321-V325 HydrophobicContact CE2-CG2 3.47Å; Y321-V325 VanDerWaalsContact CE2-CG2 3.47Å; Y321-V325 WeakPolarHBondContact O-CG2 3.15Å; Y321-V325 PolarHBondContact O-N 2.78Å
322Y98.5Very high98.2Very high49 Ų4934.1 Ų34.119%0.19220%0.2CC..Hα-helixtrans-62.2-42-176.8-174.9-98.8000113.1Y232 I235 F290 A320 Y324 L326Y232-Y322 HydrophobicContact CD1-CD1 4Å; Y232-Y322 AromaticContact CD1-CE1 3.78Å; Y232-Y322 HydrophobicContact CD1-CE1 3.78Å; Y232-Y322 PolarHBondContact O-OH 2.64Å; I235-Y322 WeakPolarHBondContact CG2-OH 3.36Å; F290-Y322 HydrophobicContact CE1-CE1 4.35Å; A320-Y322 VanDerWaalsContact C-N 3.32Å; A320-Y322 PolarHBondContact O-N 3.47Å; A320-Y322 VanDerWaalsContact O-N 3.12Å; Y322-Y324 VanDerWaalsContact C-N 3.31Å; Y322-Y324 PolarHBondContact O-N 3.42Å; Y322-L326 HydrophobicContact CD1-CD1 4.21Å; Y322-L326 HydrophobicContact CE1-CD1 3.42Å; Y322-L326 VanDerWaalsContact CE1-CD1 3.42Å; Y322-L326 HydrophobicContact CE1-CG 3.97Å; Y322-L326 WeakPolarHBondContact O-CG 3.35Å; Y322-L326 PolarHBondContact O-N 2.91Å; Y322-L326 VanDerWaalsContact O-N 3.16Å
323N98.7Very high98.2Very high32 Ų3233.1 Ų33.117%0.17118%0.184CC..Hα-helixtrans-65.9-36.8175.2-75.7-70000111.7P287 V288 G289 P316 A320 Y321 T327P287-N323 VanDerWaalsContact CB-OD1 3.22Å; P287-N323 WeakPolarHBondContact CB-OD1 3.46Å; P287-N323 WeakPolarHBondContact CG-OD1 3.49Å; V288-N323 HydrophobicContact CG1-CB 3.94Å; G289-N323 WeakPolarHBondContact CA-OD1 3.42Å; G289-N323 PolarHBondContact N-OD1 3.41Å; P316-N323 HydrophobicContact CB-CB 4.03Å; A320-N323 HydrophobicContact CB-CB 4.32Å; A320-N323 WeakPolarHBondContact O-CB 3.28Å; A320-N323 PolarHBondContact O-N 2.71Å; Y321-N323 PolarHBondContact O-N 2.99Å; N323-T327 WeakPolarHBondContact O-CB 3.26Å; N323-T327 PolarHBondContact O-N 2.78Å; N323-T327 PolarHBondContact O-OG1 3.26Å
324Y98.7Very high98.2Very high2 Ų229.6 Ų29.61%0.00817%0.165CC..Hα-helixtrans-65.9-46.7178.7-148.7-58.9000111.5A17 Q20 F21 Y25 F315 P316 G317 A320 Y321 Y322 L326 T327 L328A17-Y324 WeakPolarHBondContact O-CE1 3.21Å; A17-Y324 PolarHBondContact O-OH 2.95Å; Q20-Y324 WeakPolarHBondContact CB-OH 3.42Å; F21-Y324 HydrophobicContact CB-CD1 4.12Å; F21-Y324 HydrophobicContact CB-CE1 3.67Å; F21-Y324 AromaticContact CD2-CD1 3.5Å; F21-Y324 HydrophobicContact CD2-CD1 3.5Å; F21-Y324 AromaticContact CD2-CE1 3.98Å; F21-Y324 HydrophobicContact CD2-CE1 3.98Å; F21-Y324 AromaticContact CD2-CG 3.95Å; F21-Y324 HydrophobicContact CD2-CG 3.95Å; F21-Y324 HydrophobicContact CE2-CD1 4.39Å; F21-Y324 HydrophobicContact CG-CD1 4.25Å; F21-Y324 HydrophobicContact CG-CE1 4.3Å; Y25-Y324 HydrophobicContact CD2-CD2 4.48Å; Y25-Y324 AromaticContact CE2-CD2 3.56Å; Y25-Y324 HydrophobicContact CE2-CD2 3.56Å; Y25-Y324 HydrophobicContact CE2-CE2 4.14Å; Y25-Y324 AromaticContact CE2-CG 3.91Å; Y25-Y324 HydrophobicContact CE2-CG 3.91Å; F315-Y324 HydrophobicContact CE1-CE1 4.38Å; F315-Y324 AromaticContact CE1-CE2 3.78Å; F315-Y324 HydrophobicContact CE1-CE2 3.78Å; F315-Y324 AromaticContact CE1-CZ 3.66Å; F315-Y324 HydrophobicContact CZ-CE1 4.26Å; F315-Y324 HydrophobicContact CZ-CE2 4.44Å; F315-Y324 AromaticContact CZ-CZ 3.95Å; P316-Y324 HydrophobicContact CB-CD2 3.93Å; P316-Y324 HydrophobicContact CB-CG 4.29Å; P316-Y324 HydrophobicContact CG-CD2 3.77Å; P316-Y324 HydrophobicContact CG-CE2 4.45Å; P316-Y324 HydrophobicContact CG-CG 3.87Å; P316-Y324 WeakPolarHBondContact O-CD2 3.49Å; P316-Y324 VanDerWaalsContact O-CE2 3.28Å; P316-Y324 WeakPolarHBondContact O-CE2 3.33Å; G317-Y324 WeakPolarHBondContact O-CD2 3.36Å; A320-Y324 PolarHBondContact O-N 2.7Å; Y321-Y324 WeakPolarHBondContact O-CB 3.39Å; Y321-Y324 PolarHBondContact O-N 3.4Å; Y321-Y324 VanDerWaalsContact O-N 3.09Å; Y322-Y324 VanDerWaalsContact C-N 3.31Å; Y322-Y324 PolarHBondContact O-N 3.42Å; Y324-L326 PolarHBondContact O-N 2.84Å; Y324-T327 CarbonylContact O-C 3.56Å; Y324-T327 WeakPolarHBondContact O-CA 3.47Å; Y324-T327 WeakPolarHBondContact O-CB 3.22Å; Y324-T327 PolarHBondContact O-N 2.78Å; Y324-L328 HydrophobicContact CD1-CD1 4.01Å; Y324-L328 HydrophobicContact CD1-CG 3.9Å; Y324-L328 HydrophobicContact CE1-CD1 4.21Å; Y324-L328 HydrophobicContact CE1-CD2 4.11Å; Y324-L328 HydrophobicContact CE1-CG 3.98Å; Y324-L328 PolarHBondContact O-N 2.81Å
325V98.7Very high98.1Very high2 Ų229.1 Ų29.11%0.01216%0.16CC..Hα-helixtrans-58-49175.81680000111.6F21 Y49 F53 Y321 T327 L328 F329F21-V325 HydrophobicContact CE2-CG2 3.97Å; F21-V325 HydrophobicContact CZ-CG2 4.13Å; Y49-V325 HydrophobicContact CD2-CG1 3.27Å; Y49-V325 HydrophobicContact CE2-CG1 3.66Å; Y49-V325 HydrophobicContact CG-CG1 4.11Å; F53-V325 HydrophobicContact CE2-CG1 4.38Å; F53-V325 HydrophobicContact CZ-CG1 4.24Å; Y321-V325 HydrophobicContact CD2-CG2 4.01Å; Y321-V325 HydrophobicContact CE1-CG2 4.41Å; Y321-V325 HydrophobicContact CE2-CG2 3.47Å; Y321-V325 VanDerWaalsContact CE2-CG2 3.47Å; Y321-V325 WeakPolarHBondContact O-CG2 3.15Å; Y321-V325 PolarHBondContact O-N 2.78Å; V325-T327 PolarHBondContact O-N 3.46Å; V325-L328 PolarHBondContact O-N 3.39Å; V325-F329 HydrophobicContact CG1-CD2 4.06Å; V325-F329 HydrophobicContact CG1-CE2 4.02Å; V325-F329 WeakPolarHBondContact O-CD2 3.39Å; V325-F329 PolarHBondContact O-N 3.13Å; V325-F329 VanDerWaalsContact O-N 3.08Å
326L98.8Very high98.1Very high2 Ų229.5 Ų29.51%0.0116%0.163CC..Hα-helixtrans-60.8-33.5175.8-70-172.7000112.1I235 R236 M239 G289 F290 Y322 Y324 G330I235-L326 HydrophobicContact CG2-CD1 3.9Å; R236-L326 HydrophobicContact CG-CD2 3.81Å; M239-L326 HydrophobicContact CE-CD2 3.85Å; G289-L326 WeakPolarHBondContact O-CB 3.34Å; F290-L326 HydrophobicContact CD1-CD1 4.11Å; Y322-L326 HydrophobicContact CD1-CD1 4.21Å; Y322-L326 HydrophobicContact CE1-CD1 3.42Å; Y322-L326 VanDerWaalsContact CE1-CD1 3.42Å; Y322-L326 HydrophobicContact CE1-CG 3.97Å; Y322-L326 WeakPolarHBondContact O-CG 3.35Å; Y322-L326 PolarHBondContact O-N 2.91Å; Y322-L326 VanDerWaalsContact O-N 3.16Å; Y324-L326 PolarHBondContact O-N 2.84Å; L326-G330 PolarHBondContact O-N 3Å
327T98.8Very high98Very high1 Ų132 Ų321%0.00617%0.171CC..Hα-helixtrans-69.9-42.5176.9-56.80000111.7A292 V311 F315 P316 N323 Y324 V325 F329 G330 Q331 G332A292-T327 HydrophobicContact CB-CG2 4.38Å; V311-T327 HydrophobicContact CG1-CG2 3.91Å; F315-T327 HydrophobicContact CD2-CG2 4.12Å; F315-T327 HydrophobicContact CE2-CG2 3.63Å; F315-T327 HydrophobicContact CZ-CG2 4.3Å; P316-T327 HydrophobicContact CG-CG2 4.45Å; N323-T327 WeakPolarHBondContact O-CB 3.26Å; N323-T327 PolarHBondContact O-N 2.78Å; N323-T327 PolarHBondContact O-OG1 3.26Å; Y324-T327 CarbonylContact O-C 3.56Å; Y324-T327 WeakPolarHBondContact O-CA 3.47Å; Y324-T327 WeakPolarHBondContact O-CB 3.22Å; Y324-T327 PolarHBondContact O-N 2.78Å; V325-T327 PolarHBondContact O-N 3.46Å; T327-F329 VanDerWaalsContact C-N 3.33Å; T327-F329 PolarHBondContact O-N 2.94Å; T327-G330 PolarHBondContact O-N 2.85Å; T327-Q331 HydrophobicContact CG2-CB 3.99Å; T327-Q331 WeakPolarHBondContact O-CA 3.42Å; T327-Q331 WeakPolarHBondContact O-CB 3.13Å; T327-Q331 PolarHBondContact O-N 2.97Å; T327-G332 PolarHBondContact O-N 3.02Å
328L98.7Very high98.1Very high2 Ų230.2 Ų30.21%0.0115%0.153CC..Hα-helixtrans-59.8-42.4174.1-73.9173.1000111.9W15 A17 F21 F53 Y324 V325 G332W15-L328 HydrophobicContact CH2-CB 4.26Å; W15-L328 HydrophobicContact CH2-CD2 4.14Å; W15-L328 WeakPolarHBondContact CH2-O 3.14Å; W15-L328 HydrophobicContact CZ2-CB 4.17Å; W15-L328 HydrophobicContact CZ2-CD2 3.6Å; W15-L328 VanDerWaalsContact CZ2-O 3.3Å; W15-L328 WeakPolarHBondContact CZ2-O 3.4Å; A17-L328 HydrophobicContact CB-CD2 3.8Å; F21-L328 HydrophobicContact CB-CD1 3.85Å; F21-L328 HydrophobicContact CD1-CD1 4.09Å; F21-L328 HydrophobicContact CD2-CD1 3.73Å; F21-L328 HydrophobicContact CE2-CD1 4.26Å; F21-L328 HydrophobicContact CG-CD1 3.62Å; F53-L328 HydrophobicContact CD1-CB 3.98Å; F53-L328 HydrophobicContact CD1-CD1 4.49Å; F53-L328 HydrophobicContact CD2-CB 4.34Å; F53-L328 HydrophobicContact CD2-CD1 3.55Å; F53-L328 HydrophobicContact CE1-CB 3.51Å; F53-L328 HydrophobicContact CE1-CD1 4.49Å; F53-L328 HydrophobicContact CE2-CB 3.9Å; F53-L328 HydrophobicContact CE2-CD1 3.53Å; F53-L328 HydrophobicContact CE2-CG 4.38Å; F53-L328 HydrophobicContact CG-CB 4.39Å; F53-L328 HydrophobicContact CG-CD1 4.07Å; F53-L328 HydrophobicContact CZ-CB 3.47Å; F53-L328 VanDerWaalsContact CZ-CB 3.47Å; F53-L328 HydrophobicContact CZ-CD1 4.03Å; F53-L328 HydrophobicContact CZ-CG 4.41Å; Y324-L328 HydrophobicContact CD1-CD1 4.01Å; Y324-L328 HydrophobicContact CD1-CG 3.9Å; Y324-L328 HydrophobicContact CE1-CD1 4.21Å; Y324-L328 HydrophobicContact CE1-CD2 4.11Å; Y324-L328 HydrophobicContact CE1-CG 3.98Å; Y324-L328 PolarHBondContact O-N 2.81Å; V325-L328 PolarHBondContact O-N 3.39Å; L328-G332 WeakPolarHBondContact O-CA 3.23Å; L328-G332 PolarHBondContact O-N 3.25Å; L328-G332 VanDerWaalsContact O-N 3.13Å
329F98.8Very high98.2Very high1 Ų129.6 Ų29.60%0.00414%0.14CC..Hα-helixtrans-66.2-60.7173.3-81.6-68.2000112Y49 F52 F53 W110 M239 W240 M243 V325 T327 W333 F338Y49-F329 AromaticContact CD1-CE2 3.65Å; Y49-F329 HydrophobicContact CD1-CE2 3.65Å; Y49-F329 AromaticContact CD1-CZ 3.6Å; Y49-F329 HydrophobicContact CD1-CZ 3.6Å; Y49-F329 HydrophobicContact CD2-CE2 4.07Å; Y49-F329 AromaticContact CE1-CE2 3.92Å; Y49-F329 HydrophobicContact CE1-CE2 3.92Å; Y49-F329 AromaticContact CE1-CZ 3.96Å; Y49-F329 HydrophobicContact CE1-CZ 3.96Å; Y49-F329 HydrophobicContact CE2-CE2 4.26Å; Y49-F329 AromaticContact CG-CE2 3.73Å; Y49-F329 HydrophobicContact CG-CE2 3.73Å; Y49-F329 HydrophobicContact CG-CZ 4.07Å; F52-F329 HydrophobicContact CD1-CD1 4.09Å; F52-F329 AromaticContact CD1-CE1 3.28Å; F52-F329 HydrophobicContact CD1-CE1 3.28Å; F52-F329 AromaticContact CD1-CZ 3.68Å; F52-F329 HydrophobicContact CD1-CZ 3.68Å; F52-F329 AromaticContact CE1-CD1 3.63Å; F52-F329 HydrophobicContact CE1-CD1 3.63Å; F52-F329 AromaticContact CE1-CE1 3.21Å; F52-F329 HydrophobicContact CE1-CE1 3.21Å; F52-F329 HydrophobicContact CE1-CZ 4.08Å; F52-F329 HydrophobicContact CG-CE1 4.07Å; F52-F329 HydrophobicContact CG-CZ 4.34Å; F52-F329 HydrophobicContact CZ-CD1 4.34Å; F52-F329 AromaticContact CZ-CE1 3.95Å; F52-F329 HydrophobicContact CZ-CE1 3.95Å; F53-F329 AromaticContact CE1-CD1 3.94Å; F53-F329 HydrophobicContact CE1-CD1 3.94Å; F53-F329 AromaticContact CE1-CD2 3.8Å; F53-F329 HydrophobicContact CE1-CD2 3.8Å; F53-F329 AromaticContact CE1-CE1 3.96Å; F53-F329 HydrophobicContact CE1-CE1 3.96Å; F53-F329 AromaticContact CE1-CE2 3.8Å; F53-F329 HydrophobicContact CE1-CE2 3.8Å; F53-F329 AromaticContact CE1-CG 3.86Å; F53-F329 HydrophobicContact CE1-CG 3.86Å; F53-F329 AromaticContact CE1-CZ 3.87Å; F53-F329 HydrophobicContact CE1-CZ 3.87Å; F53-F329 HydrophobicContact CE2-CE2 4.41Å; F53-F329 HydrophobicContact CZ-CD1 4.47Å; F53-F329 AromaticContact CZ-CD2 3.51Å; F53-F329 HydrophobicContact CZ-CD2 3.51Å; F53-F329 HydrophobicContact CZ-CE1 4.41Å; F53-F329 AromaticContact CZ-CE2 3.41Å; F53-F329 HydrophobicContact CZ-CE2 3.41Å; F53-F329 VanDerWaalsContact CZ-CE2 3.41Å; F53-F329 HydrophobicContact CZ-CG 4.05Å; F53-F329 AromaticContact CZ-CZ 3.9Å; F53-F329 HydrophobicContact CZ-CZ 3.9Å; W110-F329 AromaticContact CH2-CE1 3.71Å; W110-F329 HydrophobicContact CH2-CE1 3.71Å; W110-F329 HydrophobicContact CH2-CZ 4.24Å; W110-F329 HydrophobicContact CZ2-CE1 4.06Å; W110-F329 HydrophobicContact CZ2-CZ 4.26Å; W110-F329 HydrophobicContact CZ3-CE1 4.07Å; W110-F329 HydrophobicContact CZ3-CZ 4.44Å; M239-F329 HydrophobicContact CE-CB 3.61Å; M239-F329 HydrophobicContact CE-CD2 4.17Å; M239-F329 HydrophobicContact CE-CG 3.99Å; M239-F329 HydrophobicContact SD-CB 3.55Å; M239-F329 VanDerWaalsContact SD-CB 3.55Å; W240-F329 AromaticContact CH2-CD1 3.82Å; W240-F329 HydrophobicContact CH2-CD1 3.82Å; W240-F329 AromaticContact CH2-CD2 3.98Å; W240-F329 HydrophobicContact CH2-CD2 3.98Å; W240-F329 AromaticContact CH2-CE1 3.76Å; W240-F329 HydrophobicContact CH2-CE1 3.76Å; W240-F329 AromaticContact CH2-CE2 3.94Å; W240-F329 HydrophobicContact CH2-CE2 3.94Å; W240-F329 AromaticContact CH2-CG 3.93Å; W240-F329 HydrophobicContact CH2-CG 3.93Å; W240-F329 AromaticContact CH2-CZ 3.84Å; W240-F329 HydrophobicContact CH2-CZ 3.84Å; W240-F329 AromaticContact CZ3-CD1 3.68Å; W240-F329 HydrophobicContact CZ3-CD1 3.68Å; W240-F329 AromaticContact CZ3-CE1 3.89Å; W240-F329 HydrophobicContact CZ3-CE1 3.89Å; W240-F329 HydrophobicContact CZ3-CG 4.05Å; W240-F329 HydrophobicContact CZ3-CZ 4.43Å; M243-F329 VanDerWaalsContact CE-C 3.47Å; M243-F329 HydrophobicContact CE-CB 3.93Å; M243-F329 WeakPolarHBondContact CE-O 3.41Å; V325-F329 HydrophobicContact CG1-CD2 4.06Å; V325-F329 HydrophobicContact CG1-CE2 4.02Å; V325-F329 WeakPolarHBondContact O-CD2 3.39Å; V325-F329 PolarHBondContact O-N 3.13Å; V325-F329 VanDerWaalsContact O-N 3.08Å; T327-F329 VanDerWaalsContact C-N 3.33Å; T327-F329 PolarHBondContact O-N 2.94Å; F329-W333 WeakPolarHBondContact O-CB 3.43Å; F329-W333 PolarHBondContact O-N 2.77Å; F329-F338 HydrophobicContact CD1-CZ 4.1Å; F329-F338 WeakPolarHBondContact O-CZ 3.44Å
330G98.7Very high98.3Very high0 Ų024.1 Ų24.10%011%0.11CC..Hα-helixtrans-67.7-52.3-170.100000113.7A292 L326 T327 W333 D334A292-G330 VanDerWaalsContact O-CA 3.27Å; A292-G330 WeakPolarHBondContact O-CA 3.43Å; L326-G330 PolarHBondContact O-N 3Å; T327-G330 PolarHBondContact O-N 2.85Å; G330-W333 PolarHBondContact O-N 2.77Å; G330-D334 PolarHBondContact O-N 3.14Å
331Q98.5Very high98.4Very high20 Ų2024 Ų249%0.09311%0.108CC..Hα-helixtrans-74.1-34.6177.9-166.3-172.854.200111.6L295 V311 T327 W333 D334 Q335L295-Q331 HydrophobicContact CD1-CB 4.2Å; L295-Q331 HydrophobicContact CD1-CG 4.49Å; V311-Q331 HydrophobicContact CG1-CB 4.45Å; V311-Q331 HydrophobicContact CG1-CG 4.47Å; T327-Q331 HydrophobicContact CG2-CB 3.99Å; T327-Q331 WeakPolarHBondContact O-CA 3.42Å; T327-Q331 WeakPolarHBondContact O-CB 3.13Å; T327-Q331 PolarHBondContact O-N 2.97Å; Q331-W333 VanDerWaalsContact C-N 3.27Å; Q331-W333 PolarHBondContact O-N 2.76Å; Q331-D334 PolarHBondContact O-N 2.96Å; Q331-D334 VanDerWaalsContact O-N 3.16Å; Q331-Q335 HydrophobicContact CG-CG 4.18Å; Q331-Q335 WeakPolarHBondContact O-CB 3.38Å; Q331-Q335 WeakPolarHBondContact O-CG 3.37Å; Q331-Q335 PolarHBondContact O-N 2.55Å
332G98.2Very high98.3Very high1 Ų127 Ų271%0.0113%0.128CC..Hα-helixtrans-58.1-42.4172.400000111.6T327 L328 Q335 H336 R337T327-G332 PolarHBondContact O-N 3.02Å; L328-G332 WeakPolarHBondContact O-CA 3.23Å; L328-G332 PolarHBondContact O-N 3.25Å; L328-G332 VanDerWaalsContact O-N 3.13Å; G332-Q335 CarbonylContact O-C 3.44Å; G332-Q335 PolarHBondContact O-N 2.88Å; G332-H336 PolarHBondContact O-N 2.93Å; G332-R337 VanDerWaalsContact O-CB 3.3Å; G332-R337 WeakPolarHBondContact O-CB 3.45Å; G332-R337 WeakPolarHBondContact O-CG 3.47Å; G332-R337 PolarHBondContact O-N 3.04Å
333W98.4Very high98.3Very high36 Ų3631 Ų3114%0.13615%0.146CC..Hα-helixtrans-66.5-44.9172-17397.4000112.2M243 P296 F329 G330 Q331 Q335 H336 F338 R339M243-W333 HydrophobicContact CE-CB 3.7Å; M243-W333 HydrophobicContact CE-CG 4.17Å; M243-W333 HydrophobicContact CG-CB 4.44Å; M243-W333 HydrophobicContact CG-CD2 4.4Å; M243-W333 HydrophobicContact CG-CG 3.91Å; P296-W333 HydrophobicContact CB-CD2 3.78Å; P296-W333 HydrophobicContact CB-CE3 3.63Å; P296-W333 HydrophobicContact CB-CG 4.34Å; P296-W333 HydrophobicContact CB-CH2 4.32Å; P296-W333 HydrophobicContact CB-CZ2 4.44Å; P296-W333 HydrophobicContact CB-CZ3 3.93Å; P296-W333 HydrophobicContact CG-CB 4.15Å; P296-W333 HydrophobicContact CG-CD2 3.94Å; P296-W333 HydrophobicContact CG-CE3 3.77Å; P296-W333 HydrophobicContact CG-CG 4.13Å; P296-W333 HydrophobicContact CG-CZ3 4.49Å; F329-W333 WeakPolarHBondContact O-CB 3.43Å; F329-W333 PolarHBondContact O-N 2.77Å; G330-W333 PolarHBondContact O-N 2.77Å; Q331-W333 VanDerWaalsContact C-N 3.27Å; Q331-W333 PolarHBondContact O-N 2.76Å; W333-Q335 PolarHBondContact O-N 2.94Å; W333-H336 PolarHBondContact O-N 2.86Å; W333-F338 HydrophobicContact CB-CE2 4.21Å; W333-F338 HydrophobicContact CB-CZ 4.16Å; W333-R339 PolarHBondContact O-NH1 2.94Å; W333-R339 PolarHBondContact O-NH2 2.93Å
334D98.3Very high98.3Very high32 Ų3229.6 Ų29.617%0.17114%0.139CC..Hα-helixtrans-57.4-35.1176.9-170.664.1000112.5L295 R308 G330 Q331 H336L295-D334 HydrophobicContact CB-CB 4.05Å; L295-D334 HydrophobicContact CD1-CB 3.88Å; R308-D334 IonicContact CZ-OD1 2.69Å; R308-D334 IonicContact CZ-OD2 2.89Å; R308-D334 IonicContact NE-OD1 3.79Å; R308-D334 IonicContact NE-OD2 3.8Å; R308-D334 PolarHBondContact NE-OD2 3.36Å; R308-D334 IonicContact NH2-OD1 3.98Å; R308-D334 PolarHBondContact NH2-OD1 3.08Å; R308-D334 IonicContact NH2-OD2 2.7Å; R308-D334 PolarHBondContact NH2-OD2 2.94Å; G330-D334 PolarHBondContact O-N 3.14Å; Q331-D334 PolarHBondContact O-N 2.96Å; Q331-D334 VanDerWaalsContact O-N 3.16Å; D334-H336 VanDerWaalsContact C-N 3.35Å; D334-H336 PolarHBondContact O-N 2.96Å
335Q97.2Very high98.3Very high81 Ų8131.4 Ų31.438%0.37915%0.147SC..THydrogen-bonded Turntrans-90.916.3177.2-64.7176.4-4.500114.4Q331 G332 W333 R337Q331-Q335 HydrophobicContact CG-CG 4.18Å; Q331-Q335 WeakPolarHBondContact O-CB 3.38Å; Q331-Q335 WeakPolarHBondContact O-CG 3.37Å; Q331-Q335 PolarHBondContact O-N 2.55Å; G332-Q335 CarbonylContact O-C 3.44Å; G332-Q335 PolarHBondContact O-N 2.88Å; W333-Q335 PolarHBondContact O-N 2.94Å; Q335-R337 HydrophobicContact CB-CG 4.31Å; Q335-R337 PolarHBondContact O-N 3.16Å; Q335-R337 VanDerWaalsContact O-N 3.15Å
336H96.9Very high98.3Very high85 Ų8531.3 Ų31.339%0.39415%0.147SC..THydrogen-bonded Turntrans61.218.6177-153.774.3000116.6G332 W333 D334 F338 D349G332-H336 PolarHBondContact O-N 2.93Å; W333-H336 PolarHBondContact O-N 2.86Å; D334-H336 VanDerWaalsContact C-N 3.35Å; D334-H336 PolarHBondContact O-N 2.96Å; H336-F338 PolarHBondContact O-N 2.83Å; H336-F338 VanDerWaalsContact O-N 3.13Å; H336-D349 IonicContact CD2-OD2 3.92Å; H336-D349 PolarHBondContact CD2-OD2 2.92Å; H336-D349 WeakPolarHBondContact O-CB 3.43Å
337R97.1Very high98.3Very high62 Ų6235.5 Ų35.523%0.23417%0.169CC..SBendtrans-60.6-28.4179.5-56.3-60.4-179.4173.8-1113.4W15 G332 Q335 D349W15-R337 HydrophobicContact CD2-CB 4.26Å; W15-R337 HydrophobicContact CD2-CG 3.99Å; W15-R337 HydrophobicContact CE3-CB 4.35Å; W15-R337 HydrophobicContact CG-CG 4.21Å; W15-R337 HydrophobicContact CH2-CB 4.46Å; W15-R337 HydrophobicContact CZ2-CB 4.34Å; W15-R337 HydrophobicContact CZ2-CG 4.19Å; W15-R337 HydrophobicContact CZ3-CB 4.46Å; G332-R337 VanDerWaalsContact O-CB 3.3Å; G332-R337 WeakPolarHBondContact O-CB 3.45Å; G332-R337 WeakPolarHBondContact O-CG 3.47Å; G332-R337 PolarHBondContact O-N 3.04Å; Q335-R337 HydrophobicContact CB-CG 4.31Å; Q335-R337 PolarHBondContact O-N 3.16Å; Q335-R337 VanDerWaalsContact O-N 3.15Å; R337-D349 PolarHBondContact O-N 3.21Å
338F98.2Very high98.1Very high0 Ų037.3 Ų37.30%018%0.18CC..EExtended strand (participates in β ladder)trans-156.2156.1173.557.4-90.9000111.6W15 F52 A56 M243 F329 W333 H336 F340 L346W15-F338 HydrophobicContact CH2-CD1 4.41Å; W15-F338 HydrophobicContact CH2-CE1 4.1Å; F52-F338 HydrophobicContact CE1-CD1 4.18Å; F52-F338 AromaticContact CE1-CE1 3.83Å; F52-F338 HydrophobicContact CE1-CE1 3.83Å; F52-F338 HydrophobicContact CE1-CE2 4.2Å; F52-F338 AromaticContact CE1-CZ 3.84Å; F52-F338 HydrophobicContact CE1-CZ 3.84Å; F52-F338 AromaticContact CZ-CD1 3.95Å; F52-F338 HydrophobicContact CZ-CD1 3.95Å; F52-F338 AromaticContact CZ-CD2 3.7Å; F52-F338 HydrophobicContact CZ-CD2 3.7Å; F52-F338 AromaticContact CZ-CE1 3.93Å; F52-F338 HydrophobicContact CZ-CE1 3.93Å; F52-F338 AromaticContact CZ-CE2 3.67Å; F52-F338 HydrophobicContact CZ-CE2 3.67Å; F52-F338 AromaticContact CZ-CG 3.85Å; F52-F338 HydrophobicContact CZ-CG 3.85Å; F52-F338 AromaticContact CZ-CZ 3.78Å; F52-F338 HydrophobicContact CZ-CZ 3.78Å; A56-F338 HydrophobicContact CB-CB 4.28Å; A56-F338 HydrophobicContact CB-CD1 4.09Å; A56-F338 HydrophobicContact CB-CG 4.5Å; M243-F338 HydrophobicContact CE-CE2 4.16Å; M243-F338 HydrophobicContact CE-CZ 4.1Å; M243-F338 HydrophobicContact SD-CE2 4.07Å; F329-F338 HydrophobicContact CD1-CZ 4.1Å; F329-F338 WeakPolarHBondContact O-CZ 3.44Å; W333-F338 HydrophobicContact CB-CE2 4.21Å; W333-F338 HydrophobicContact CB-CZ 4.16Å; H336-F338 PolarHBondContact O-N 2.83Å; H336-F338 VanDerWaalsContact O-N 3.13Å; F338-F340 HydrophobicContact CD2-CE2 4.26Å; F338-F340 HydrophobicContact CD2-CZ 4.38Å; F338-F340 HydrophobicContact CE2-CE2 4.16Å; F338-F340 HydrophobicContact CE2-CZ 4.39Å; F338-L346 HydrophobicContact CB-CD1 3.66Å
339R98.6Very high97.9Very high56 Ų5639.7 Ų39.721%0.21119%0.193CC..EExtended strand (participates in β ladder)trans-134.8167.3167.9-71.2-68.3179.6-84.56.2110.3W333 L347W333-R339 PolarHBondContact O-NH1 2.94Å; W333-R339 PolarHBondContact O-NH2 2.93Å; R339-L347 HydrophobicContact CB-CB 4.06Å; R339-L347 HydrophobicContact CB-CD1 4.44Å; R339-L347 PolarHBondContact N-O 2.94Å; R339-L347 PolarHBondContact O-N 3Å
340F98.8Very high97.5Very high7 Ų743 Ų433%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-112.1135.9171.5-61.2-75.4000110.4F52 W110 W113 T176 M243 F338 E345F52-F340 HydrophobicContact CE2-CE1 4.43Å; F52-F340 HydrophobicContact CE2-CZ 4.2Å; F52-F340 HydrophobicContact CZ-CZ 4.37Å; W110-F340 HydrophobicContact CH2-CZ 4.15Å; W113-F340 HydrophobicContact CH2-CD1 4.29Å; W113-F340 AromaticContact CH2-CE1 3.66Å; W113-F340 HydrophobicContact CH2-CE1 3.66Å; W113-F340 AromaticContact CZ2-CD1 3.84Å; W113-F340 HydrophobicContact CZ2-CD1 3.84Å; W113-F340 AromaticContact CZ2-CE1 3.52Å; W113-F340 HydrophobicContact CZ2-CE1 3.52Å; T176-F340 HydrophobicContact CG2-CB 3.76Å; T176-F340 HydrophobicContact CG2-CD2 3.89Å; T176-F340 HydrophobicContact CG2-CG 3.81Å; M243-F340 HydrophobicContact CB-CD2 4.13Å; M243-F340 HydrophobicContact CB-CE2 4.11Å; M243-F340 HydrophobicContact SD-CE2 4.12Å; F338-F340 HydrophobicContact CD2-CE2 4.26Å; F338-F340 HydrophobicContact CD2-CZ 4.38Å; F338-F340 HydrophobicContact CE2-CE2 4.16Å; F338-F340 HydrophobicContact CE2-CZ 4.39Å; F340-E345 CarbonylContact C-O 3.54Å; F340-E345 VanDerWaalsContact CA-O 3.3Å; F340-E345 WeakPolarHBondContact CA-O 3.17Å
341S98.6Very high95.9Very high21 Ų2145.9 Ų45.915%0.14724%0.235CC..  trans-73.3168.417284.80000111.4K343 G344 E345S341-K343 PolarHBondContact O-N 3.27Å; S341-K343 PolarHBondContact OG-N 2.8Å; S341-K343 VanDerWaalsContact OG-N 3.12Å; S341-G344 PolarHBondContact O-N 2.76Å; S341-E345 PolarHBondContact N-O 3.07Å; S341-E345 WeakPolarHBondContact OG-CB 3.25Å; S341-E345 PolarHBondContact OG-N 3.14Å
342T98Very high93.6Very high75 Ų7552 Ų5246%0.4626%0.263SS..THydrogen-bonded Turntrans-57.9-19.6172-41.70000113.1Q179 S247Q179-T342 WeakPolarHBondContact CG-O 3.43Å; S247-T342 PolarHBondContact OG-OG1 2.82Å
343K98.5Very high90.9Very high134 Ų13460.6 Ų60.658%0.58330%0.303SS*.THydrogen-bonded Turntrans-95.19.1175.2-63.3-179.6-177.5170.30113.3Y180 R183 S341 E345Y180-K343 VanDerWaalsContact CA-O 3.29Å; Y180-K343 WeakPolarHBondContact CA-O 3.25Å; R183-K343 PolarHBondContact NH2-O 2.92Å; S341-K343 PolarHBondContact O-N 3.27Å; S341-K343 PolarHBondContact OG-N 2.8Å; S341-K343 VanDerWaalsContact OG-N 3.12Å; K343-E345 PolarHBondContact O-N 3.46Å
344G98.6Very high88.3Confident1 Ų162.7 Ų62.71%0.0132%0.323CS..SBendtrans71.514.9-17800000114.6W113 T176 Y180 S341W113-G344 PolarHBondContact NE1-O 3.11Å; T176-G344 VanDerWaalsContact O-CA 3.31Å; T176-G344 WeakPolarHBondContact O-CA 3.32Å; Y180-G344 WeakPolarHBondContact CD2-O 3.45Å; S341-G344 PolarHBondContact O-N 2.76Å
345E98.8Very high85.5Confident40 Ų4065.5 Ų65.519%0.18735%0.35CS..  trans-79.5149.3175.8-72.2158.6-174.600110.7E117 Y180 R183 F340 S341 K343 L347E117-E345 VanDerWaalsContact OE2-CA 3.29Å; E117-E345 WeakPolarHBondContact OE2-CA 3.45Å; E117-E345 WeakPolarHBondContact OE2-CB 3.38Å; Y180-E345 HydrophobicContact CD2-CG 3.94Å; Y180-E345 HydrophobicContact CE2-CG 3.71Å; R183-E345 IonicContact CZ-OE1 3.65Å; R183-E345 VanDerWaalsContact CZ-OE1 3.28Å; R183-E345 IonicContact NH1-OE1 3.87Å; R183-E345 PolarHBondContact NH1-OE1 3.07Å; R183-E345 IonicContact NH2-OE1 3.95Å; R183-E345 PolarHBondContact NH2-OE1 2.9Å; F340-E345 CarbonylContact C-O 3.54Å; F340-E345 VanDerWaalsContact CA-O 3.3Å; F340-E345 WeakPolarHBondContact CA-O 3.17Å; S341-E345 PolarHBondContact N-O 3.07Å; S341-E345 WeakPolarHBondContact OG-CB 3.25Å; S341-E345 PolarHBondContact OG-N 3.14Å; K343-E345 PolarHBondContact O-N 3.46Å; E345-L347 PolarHBondContact O-N 3.02Å
346L98.7Very high82.3Confident1 Ų168.9 Ų68.91%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-64.8126.7168.8-171.554.5000110.1F52 L55 W113 E117 R120 L121 F338 P348F52-L346 HydrophobicContact CE2-CD1 4.48Å; L55-L346 HydrophobicContact CD2-CD2 3.67Å; L55-L346 HydrophobicContact CG-CD2 3.6Å; W113-L346 HydrophobicContact CH2-CB 3.53Å; W113-L346 HydrophobicContact CH2-CD1 4.08Å; W113-L346 HydrophobicContact CH2-CD2 4.31Å; W113-L346 HydrophobicContact CH2-CG 4.16Å; W113-L346 HydrophobicContact CZ2-CB 4.02Å; W113-L346 HydrophobicContact CZ3-CB 4.45Å; E117-L346 HydrophobicContact CG-CB 4.49Å; E117-L346 PolarHBondContact OE2-N 3.49Å; R120-L346 PolarHBondContact NH2-O 3.29Å; L121-L346 HydrophobicContact CD1-CB 4.05Å; L121-L346 HydrophobicContact CD1-CD2 3.81Å; L121-L346 HydrophobicContact CD1-CG 4.19Å; F338-L346 HydrophobicContact CB-CD1 3.66Å; L346-P348 HydrophobicContact CD2-CB 4.32Å; L346-P348 HydrophobicContact CG-CB 4.2Å; L346-P348 HydrophobicContact CG-CG 4.47Å; L346-P348 WeakPolarHBondContact O-CD 3.26Å
347L98.1Very high79.2Confident90 Ų9070.1 Ų70.147%0.47139%0.389SS..EExtended strand (participates in β ladder)trans-107.290.2162.8-58.7177.7000106.3R339 E345R339-L347 HydrophobicContact CB-CB 4.06Å; R339-L347 HydrophobicContact CB-CD1 4.44Å; R339-L347 PolarHBondContact N-O 2.94Å; R339-L347 PolarHBondContact O-N 3Å; E345-L347 PolarHBondContact O-N 3.02Å
348P94.9Very high76.2Confident38 Ų3879.3 Ų79.325%0.24743%0.434CS..EExtended strand (participates in β ladder)trans-77.6150.5-177.331.1-32.5000111.5L121 L346 W350L121-P348 HydrophobicContact CD1-CG 4.18Å; L121-P348 HydrophobicContact CD2-CG 4.32Å; L346-P348 HydrophobicContact CD2-CB 4.32Å; L346-P348 HydrophobicContact CG-CB 4.2Å; L346-P348 HydrophobicContact CG-CG 4.47Å; L346-P348 WeakPolarHBondContact O-CD 3.26Å; P348-W350 HydrophobicContact CB-CD2 3.83Å; P348-W350 VanDerWaalsContact CB-CE2 3.41Å; P348-W350 HydrophobicContact CB-CG 3.95Å; P348-W350 HydrophobicContact CB-CZ2 3.96Å; P348-W350 HydrophobicContact CG-CD2 3.82Å; P348-W350 HydrophobicContact CG-CE3 4.18Å; P348-W350 HydrophobicContact CG-CG 4.33Å; P348-W350 HydrophobicContact CG-CH2 4.31Å; P348-W350 HydrophobicContact CG-CZ2 3.91Å; P348-W350 HydrophobicContact CG-CZ3 4.42Å
349D93.7Very high75.1Confident52 Ų5283.3 Ų83.328%0.27846%0.456SS..  trans-10490.6166.4-172.3-0.7000109.9H336 R337 G351 Q352H336-D349 IonicContact CD2-OD2 3.92Å; H336-D349 PolarHBondContact CD2-OD2 2.92Å; H336-D349 WeakPolarHBondContact O-CB 3.43Å; R337-D349 PolarHBondContact O-N 3.21Å; D349-G351 PolarHBondContact OD1-N 2.77Å; D349-Q352 PolarHBondContact OD1-N 3.11Å
350W91.5Very high73.8Confident72 Ų7284.7 Ų84.727%0.27347%0.469SS..SBendtrans-100.58.4-176.5-66.5-18.1000114L55 A56 N58 L121 W122 P348L55-W350 HydrophobicContact CD1-CZ2 4.11Å; L55-W350 VanDerWaalsContact O-CZ2 3.29Å; L55-W350 WeakPolarHBondContact O-CZ2 3.36Å; L55-W350 PolarHBondContact O-NE1 3.02Å; L55-W350 VanDerWaalsContact O-NE1 3.11Å; A56-W350 VanDerWaalsContact O-CD1 3.22Å; A56-W350 PolarHBondContact O-NE1 2.85Å; N58-W350 HydrophobicContact CB-CB 4.37Å; N58-W350 HydrophobicContact CB-CD2 3.73Å; N58-W350 HydrophobicContact CB-CE3 4.46Å; N58-W350 HydrophobicContact CB-CG 3.68Å; N58-W350 HydrophobicContact CB-CZ2 4.32Å; L121-W350 HydrophobicContact CB-CH2 3.71Å; L121-W350 HydrophobicContact CB-CZ3 4.37Å; L121-W350 HydrophobicContact CD1-CH2 4.06Å; L121-W350 HydrophobicContact CD1-CZ2 4.19Å; L121-W350 HydrophobicContact CG-CH2 4.33Å; W122-W350 AromaticContact CD1-CH2 3.73Å; W122-W350 AromaticContact NE1-CH2 3.39Å; W122-W350 AromaticContact NE1-CZ2 3.88Å; P348-W350 HydrophobicContact CB-CD2 3.83Å; P348-W350 VanDerWaalsContact CB-CE2 3.41Å; P348-W350 HydrophobicContact CB-CG 3.95Å; P348-W350 HydrophobicContact CB-CZ2 3.96Å; P348-W350 HydrophobicContact CG-CD2 3.82Å; P348-W350 HydrophobicContact CG-CE3 4.18Å; P348-W350 HydrophobicContact CG-CG 4.33Å; P348-W350 HydrophobicContact CG-CH2 4.31Å; P348-W350 HydrophobicContact CG-CZ2 3.91Å; P348-W350 HydrophobicContact CG-CZ3 4.42Å
351G63.9Low72.4Confident59 Ų5989.1 Ų89.161%0.60849%0.493SS*.  trans161.443.9-177.300000117.5D349D349-G351 PolarHBondContact OD1-N 2.77Å
352Q51.7Low70.9Confident148 Ų14893.1 Ų93.169%0.69251%0.514SS*.SBendtrans-64.5138.4147.8-65.4-146.7-2.600109.5D349 C354D349-Q352 PolarHBondContact OD1-N 3.11Å; Q352-C354 PolarHBondContact O-N 3.21Å
353E41.1Very low69.2Low183 Ų18394.2 Ų94.286%0.85552%0.517SS*.  trans-49.3132.5178.7-66.5179.5154.800110.2A355E353-A355 PolarHBondContact O-N 3.41Å
354C42.6Very low67.2Low80 Ų8091.5 Ų91.554%0.54151%0.513SS..  trans-56.3108.6-172.9-49.40000110.5C13 Q352 N356C13-C354 HydrophobicContact CB-CB 4.37Å; C13-C354 WeakPolarHBondContact CB-SG 3.3Å; C13-C354 WeakPolarHBondContact SG-CA 3.43Å; C13-C354 WeakPolarHBondContact SG-CB 3.44Å; C13-C354 PolarHBondContact SG-N 2.9Å; C13-C354 VanDerWaalsContact SG-N 3.41Å; C13-C354 CovalentContact SG-SG 2.04Å; C13-C354 PolarHBondContact SG-SG 2.74Å; Q352-C354 PolarHBondContact O-N 3.21Å; C354-N356 PolarHBondContact O-N 3.13Å
355A39.5Very low65Low91 Ų9198 Ų9875%0.75255%0.548SS*.  trans-74.4106.2163.100000107.4E353 S357E353-A355 PolarHBondContact O-N 3.41Å; A355-S357 PolarHBondContact O-N 2.74Å
356N30.6Very low62.4Low151 Ų151102.5 Ų102.581%0.80758%0.576SS**  trans-63.2103.2168.6-74.2-30.6000108.6C354C354-N356 PolarHBondContact O-N 3.13Å
357S31.9Very low59.4Low111 Ų111110.9 Ų110.978%0.77662%0.624SS**  trans-112.2106.7161.358.10000108.3A355A355-S357 PolarHBondContact O-N 2.74Å
358H33.1Very low55.9Low256 Ų256112.8 Ų112.8100%1.18564%0.638SS**  trans-58.20162.4-72-70000112.1

Retrieved 358 of 358 residues in 2381.9 ms (Link to these results)

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