A0A5K4F2F0_SCHMA Loading...

AB hydrolase-1 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F2F0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 558 aa.

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

 

Download Structure   AlphaSync Parameters   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M74.8Confident86.9Confident187 Ų187101.9 Ų101.992%0.92146%0.455SS*.  0-58.60-156.9174.9-174.200112.5R3 T4 I5M1-R3 PolarHBondContact O-N 3.02Å; M1-T4 WeakPolarHBondContact O-CB 3.38Å; M1-T4 PolarHBondContact O-N 3.04Å; M1-T4 VanDerWaalsContact O-N 3.09Å; M1-I5 HydrophobicContact CE-CD1 4.48Å; M1-I5 HydrophobicContact CG-CD1 3.95Å; M1-I5 WeakPolarHBondContact O-CG1 3.47Å; M1-I5 PolarHBondContact O-N 3.23Å
2W82.8Confident87.4Confident210 Ų21093.7 Ų93.780%0.79542%0.419SS*.Hα-helixtrans-55.5-45.2-177.4-170.5-109.3000114.7T4 I5 H6W2-T4 VanDerWaalsContact C-N 3.32Å; W2-T4 PolarHBondContact O-N 3.46Å; W2-I5 PolarHBondContact O-N 3.21Å; W2-H6 WeakPolarHBondContact O-CB 3.38Å; W2-H6 PolarHBondContact O-N 3.46Å
3R81.3Confident87.5Confident210 Ų21095.3 Ų95.379%0.79243%0.433SS*.Hα-helixtrans-58.9-41.9176.1-173.2177.3177-178.9-1.1112.3M1 H6 V7M1-R3 PolarHBondContact O-N 3.02Å; R3-H6 PolarHBondContact O-N 3.35Å; R3-V7 WeakPolarHBondContact O-CG2 3.25Å; R3-V7 PolarHBondContact O-N 2.87Å
4T85.1Confident87.7Confident79 Ų7989.4 Ų89.449%0.48541%0.411SS..Hα-helixtrans-65.4-44.3177.8-44.40000111.3M1 W2 H6 V7 W8 F101M1-T4 WeakPolarHBondContact O-CB 3.38Å; M1-T4 PolarHBondContact O-N 3.04Å; M1-T4 VanDerWaalsContact O-N 3.09Å; W2-T4 VanDerWaalsContact C-N 3.32Å; W2-T4 PolarHBondContact O-N 3.46Å; T4-H6 VanDerWaalsContact C-N 3.33Å; T4-H6 PolarHBondContact O-N 3.21Å; T4-V7 PolarHBondContact O-N 3.35Å; T4-W8 WeakPolarHBondContact O-CB 3.39Å; T4-W8 PolarHBondContact O-N 3.4Å; T4-F101 HydrophobicContact CG2-CE2 4.35Å; T4-F101 HydrophobicContact CG2-CZ 3.79Å
5I88.7Confident87.9Confident76 Ų7683.7 Ų83.739%0.3939%0.385SS..Hα-helixtrans-61.3-43.5175.9-66169.7000110.4M1 W2 W8 W9M1-I5 HydrophobicContact CE-CD1 4.48Å; M1-I5 HydrophobicContact CG-CD1 3.95Å; M1-I5 WeakPolarHBondContact O-CG1 3.47Å; M1-I5 PolarHBondContact O-N 3.23Å; W2-I5 PolarHBondContact O-N 3.21Å; I5-W8 PolarHBondContact O-N 2.94Å; I5-W9 VanDerWaalsContact O-CB 3.28Å; I5-W9 WeakPolarHBondContact O-CB 3.35Å; I5-W9 PolarHBondContact O-N 3.16Å
6H87.4Confident88Confident108 Ų10880.9 Ų80.950%0.538%0.379SS..Hα-helixtrans-61.6-44.6177.5-179.3-73.2000112.4W2 R3 T4 W9 S10W2-H6 WeakPolarHBondContact O-CB 3.38Å; W2-H6 PolarHBondContact O-N 3.46Å; R3-H6 PolarHBondContact O-N 3.35Å; T4-H6 VanDerWaalsContact C-N 3.33Å; T4-H6 PolarHBondContact O-N 3.21Å; H6-W9 PolarHBondContact O-N 3.09Å; H6-S10 WeakPolarHBondContact O-CB 2.84Å; H6-S10 PolarHBondContact O-N 3.48Å; H6-S10 PolarHBondContact O-OG 3.23Å
7V87.1Confident88.1Confident48 Ų4876.7 Ų76.729%0.29136%0.359SS..Hα-helixtrans-65.3-44.9176.9173.10000110.8R3 T4 W9 S10 C11 F101R3-V7 WeakPolarHBondContact O-CG2 3.25Å; R3-V7 PolarHBondContact O-N 2.87Å; T4-V7 PolarHBondContact O-N 3.35Å; V7-W9 VanDerWaalsContact C-N 3.35Å; V7-W9 PolarHBondContact O-N 3.4Å; V7-S10 WeakPolarHBondContact O-CB 3.03Å; V7-S10 PolarHBondContact O-N 3.26Å; V7-C11 PolarHBondContact O-N 3.23Å; V7-C11 PolarHBondContact O-SG 2.91Å; V7-F101 HydrophobicContact CB-CE2 4.47Å; V7-F101 HydrophobicContact CG1-CD2 4.23Å; V7-F101 HydrophobicContact CG1-CE2 4.02Å
8W92Very high88.2Confident64 Ų6475.6 Ų75.624%0.24235%0.354CS..Hα-helixtrans-59.1-45.4175.3174.983.4000111.7T4 I5 S10 C11 V12 L94 T98 F101T4-W8 WeakPolarHBondContact O-CB 3.39Å; T4-W8 PolarHBondContact O-N 3.4Å; I5-W8 PolarHBondContact O-N 2.94Å; W8-S10 VanDerWaalsContact C-N 3.3Å; W8-S10 PolarHBondContact O-N 3.16Å; W8-C11 WeakPolarHBondContact O-CA 3.35Å; W8-C11 VanDerWaalsContact O-CB 3.3Å; W8-C11 WeakPolarHBondContact O-CB 3.24Å; W8-C11 PolarHBondContact O-N 3.41Å; W8-V12 HydrophobicContact CD2-CG2 4.35Å; W8-V12 HydrophobicContact CE3-CG2 4.38Å; W8-V12 HydrophobicContact CH2-CG2 4.23Å; W8-V12 HydrophobicContact CZ2-CG2 4.14Å; W8-V12 HydrophobicContact CZ3-CG2 4.34Å; W8-V12 PolarHBondContact O-N 3.48Å; W8-V12 VanDerWaalsContact O-N 3.1Å; W8-L94 HydrophobicContact CH2-CD2 3.63Å; W8-L94 HydrophobicContact CZ2-CB 4.46Å; W8-L94 HydrophobicContact CZ2-CD2 4.24Å; W8-L94 HydrophobicContact CZ3-CD2 4.45Å; W8-T98 PolarHBondContact NE1-OG1 3.46Å; W8-F101 HydrophobicContact CB-CD2 3.88Å; W8-F101 HydrophobicContact CB-CE2 4.18Å; W8-F101 HydrophobicContact CB-CG 4.26Å; W8-F101 AromaticContact CD1-CG 3.77Å; W8-F101 HydrophobicContact CG-CG 4.44Å
9W93.1Very high88.1Confident119 Ų11972.3 Ų72.345%0.45134%0.34SS..Hα-helixtrans-62.7-36.6175.9-171.9-103.1000112.5I5 H6 V7 C11 V12 L13 L94I5-W9 VanDerWaalsContact O-CB 3.28Å; I5-W9 WeakPolarHBondContact O-CB 3.35Å; I5-W9 PolarHBondContact O-N 3.16Å; H6-W9 PolarHBondContact O-N 3.09Å; V7-W9 VanDerWaalsContact C-N 3.35Å; V7-W9 PolarHBondContact O-N 3.4Å; W9-C11 PolarHBondContact O-N 2.84Å; W9-V12 HydrophobicContact CE3-CG2 4.43Å; W9-V12 WeakPolarHBondContact O-CB 3.22Å; W9-V12 PolarHBondContact O-N 2.95Å; W9-V12 VanDerWaalsContact O-N 3.15Å; W9-L13 HydrophobicContact CZ2-CD1 4.36Å; W9-L13 PolarHBondContact O-N 3.16Å; W9-L94 HydrophobicContact CZ3-CD2 4.2Å
10S90.7Very high88.1Confident20 Ų2069.1 Ų69.114%0.1433%0.325CS..Hα-helixtrans-63.8-30.1173.3-55.60000112H6 V7 W8 G14H6-S10 WeakPolarHBondContact O-CB 2.84Å; H6-S10 PolarHBondContact O-N 3.48Å; H6-S10 PolarHBondContact O-OG 3.23Å; V7-S10 WeakPolarHBondContact O-CB 3.03Å; V7-S10 PolarHBondContact O-N 3.26Å; W8-S10 VanDerWaalsContact C-N 3.3Å; W8-S10 PolarHBondContact O-N 3.16Å; S10-G14 WeakPolarHBondContact O-CA 3.42Å; S10-G14 PolarHBondContact O-N 3.37Å
11C93.2Very high87.8Confident0 Ų067.3 Ų67.30%032%0.32CS..Hα-helixtrans-74.2-32.7173.5-600000112.5V7 W8 W9 G14 R100 F101 Y106V7-C11 PolarHBondContact O-N 3.23Å; V7-C11 PolarHBondContact O-SG 2.91Å; W8-C11 WeakPolarHBondContact O-CA 3.35Å; W8-C11 VanDerWaalsContact O-CB 3.3Å; W8-C11 WeakPolarHBondContact O-CB 3.24Å; W8-C11 PolarHBondContact O-N 3.41Å; W9-C11 PolarHBondContact O-N 2.84Å; C11-G14 PolarHBondContact O-N 3.5Å; C11-R100 HydrophobicContact CB-CB 3.94Å; C11-R100 VanDerWaalsContact O-CD 3.31Å; C11-R100 WeakPolarHBondContact O-CD 3.34Å; C11-F101 HydrophobicContact CB-CB 4.42Å; C11-Y106 HydrophobicContact CB-CE1 4.11Å
12V93Very high87.9Confident3 Ų361.5 Ų61.52%0.01829%0.292CS..Hα-helixtrans-59.8-48.7175.3174.70000110.9W8 W9 L93 L94 R96W8-V12 HydrophobicContact CD2-CG2 4.35Å; W8-V12 HydrophobicContact CE3-CG2 4.38Å; W8-V12 HydrophobicContact CH2-CG2 4.23Å; W8-V12 HydrophobicContact CZ2-CG2 4.14Å; W8-V12 HydrophobicContact CZ3-CG2 4.34Å; W8-V12 PolarHBondContact O-N 3.48Å; W8-V12 VanDerWaalsContact O-N 3.1Å; W9-V12 HydrophobicContact CE3-CG2 4.43Å; W9-V12 WeakPolarHBondContact O-CB 3.22Å; W9-V12 PolarHBondContact O-N 2.95Å; W9-V12 VanDerWaalsContact O-N 3.15Å; V12-L93 HydrophobicContact CG1-CB 4.28Å; V12-L94 HydrophobicContact CG1-CD2 4.38Å; V12-L94 HydrophobicContact CG2-CD2 4.31Å; V12-R96 PolarHBondContact O-NH2 3.33Å
13L88.4Confident87.1Confident115 Ų11560 Ų6060%0.60230%0.298SS*.SBendtrans-99.16.7-178.9-60.5178.5000113.5W9W9-L13 HydrophobicContact CZ2-CD1 4.36Å; W9-L13 PolarHBondContact O-N 3.16Å
14G89.6Confident86Confident12 Ų1254.7 Ų54.712%0.12430%0.298CS..  trans-69.6165.8-172.200000114.3S10 C11 R100S10-G14 WeakPolarHBondContact O-CA 3.42Å; S10-G14 PolarHBondContact O-N 3.37Å; C11-G14 PolarHBondContact O-N 3.5Å; G14-R100 PolarHBondContact O-NH1 2.9Å
15P90.7Very high84.7Confident4 Ų454.1 Ų54.13%0.02630%0.295CS..  trans-55.6151176.5-24.135.3000112.7R100 Y106 F109 F113 F133P15-R100 PolarHBondContact O-NH1 3.41Å; P15-Y106 WeakPolarHBondContact O-CE2 3.4Å; P15-Y106 PolarHBondContact O-OH 3.34Å; P15-F109 HydrophobicContact CB-CE1 3.94Å; P15-F109 HydrophobicContact CB-CZ 3.84Å; P15-F109 HydrophobicContact CG-CE1 4.11Å; P15-F109 HydrophobicContact CG-CZ 3.97Å; P15-F113 HydrophobicContact CG-CD1 3.76Å; P15-F113 HydrophobicContact CG-CD2 4.17Å; P15-F113 HydrophobicContact CG-CE1 3.39Å; P15-F113 HydrophobicContact CG-CE2 3.84Å; P15-F113 HydrophobicContact CG-CG 4.12Å; P15-F113 HydrophobicContact CG-CZ 3.4Å; P15-F113 VanDerWaalsContact CG-CZ 3.4Å; P15-F133 HydrophobicContact CB-CB 4.16Å; P15-F133 HydrophobicContact CB-CD2 3.72Å; P15-F133 HydrophobicContact CB-CG 4.22Å; P15-F133 HydrophobicContact CG-CD2 4.21Å
16S89.6Confident83.2Confident40 Ų4059.4 Ų59.428%0.2832%0.316SS..EExtended strand (participates in β ladder)trans-83.5115.6167.9-64.30000109.1H18 R100 F133 S134S16-H18 PolarHBondContact O-NE2 3.33Å; S16-R100 PolarHBondContact OG-NH2 2.88Å; S16-F133 CarbonylContact O-C 3.53Å; S16-F133 WeakPolarHBondContact O-CA 3.5Å; S16-F133 VanDerWaalsContact O-CB 3.24Å; S16-F133 WeakPolarHBondContact O-CB 3.49Å; S16-S134 PolarHBondContact N-O 3.25Å; S16-S134 PolarHBondContact O-N 3.2Å
17L91.1Very high82.3Confident9 Ų960.1 Ų60.15%0.04732%0.319CS..EExtended strand (participates in β ladder)trans-88132.9179.9-175.761.2000109.9S19 V20 Y31 Y106 F109 Y131 F133L17-S19 WeakPolarHBondContact CD1-O 3.37Å; L17-V20 HydrophobicContact CD1-CG1 4.24Å; L17-V20 HydrophobicContact CD2-CG1 3.67Å; L17-V20 HydrophobicContact CG-CG1 4.06Å; L17-Y31 HydrophobicContact CB-CD1 4.16Å; L17-Y31 HydrophobicContact CB-CG 4.25Å; L17-Y31 HydrophobicContact CD2-CD2 3.66Å; L17-Y31 HydrophobicContact CD2-CE2 4Å; L17-Y31 HydrophobicContact CD2-CG 3.98Å; L17-Y31 HydrophobicContact CG-CD1 4.38Å; L17-Y31 HydrophobicContact CG-CD2 4.17Å; L17-Y31 HydrophobicContact CG-CG 3.95Å; L17-Y31 VanDerWaalsContact O-CD1 3.28Å; L17-Y31 WeakPolarHBondContact O-CD1 3.33Å; L17-Y106 HydrophobicContact CB-CD2 4.04Å; L17-Y106 HydrophobicContact CB-CE2 4.04Å; L17-Y106 HydrophobicContact CD2-CD2 4.05Å; L17-F109 HydrophobicContact CB-CD1 4.38Å; L17-F109 HydrophobicContact CB-CE1 4.42Å; L17-F109 HydrophobicContact CD1-CD1 4.24Å; L17-F109 HydrophobicContact CD1-CD2 4Å; L17-F109 HydrophobicContact CD1-CE1 4.42Å; L17-F109 HydrophobicContact CD1-CE2 4.21Å; L17-F109 HydrophobicContact CD1-CG 4.02Å; L17-F109 HydrophobicContact CD1-CZ 4.4Å; L17-F109 HydrophobicContact CD2-CB 3.98Å; L17-F109 HydrophobicContact CD2-CD1 3.98Å; L17-F109 HydrophobicContact CD2-CG 3.95Å; L17-F109 HydrophobicContact CG-CD1 4.45Å; L17-Y131 HydrophobicContact CD1-CD1 3.97Å; L17-F133 HydrophobicContact CD1-CB 4.24Å
18H88.8Confident81.7Confident56 Ų5660.8 Ų60.826%0.25933%0.326SS..EExtended strand (participates in β ladder)trans-115.3-40.5-176-56.2-70000112.2S16 Y31 T132 S134 F197 L201S16-H18 PolarHBondContact O-NE2 3.33Å; H18-Y31 PolarHBondContact O-N 3.04Å; H18-T132 HydrophobicContact CB-CG2 4.18Å; H18-T132 WeakPolarHBondContact CB-O 3.5Å; H18-T132 PolarHBondContact N-O 3.28Å; H18-S134 PolarHBondContact NE2-OG 2.97Å; H18-F197 AromaticContact CD2-CZ 3.64Å; H18-F197 AromaticContact CE1-CE1 3.65Å; H18-F197 AromaticContact CE1-CZ 3.75Å; H18-F197 AromaticContact NE2-CE1 3.64Å; H18-F197 AromaticContact NE2-CZ 3.24Å; H18-F197 WeakPolarHBondContact NE2-CZ 3.5Å; H18-L201 HydrophobicContact CB-CD1 4.48Å
19S87.2Confident81.3Confident13 Ų1362.2 Ų62.29%0.09134%0.336CS..EExtended strand (participates in β ladder)trans-143.5153.617678.50000112L17 S28 M29 T132L17-S19 WeakPolarHBondContact CD1-O 3.37Å; S19-S28 WeakPolarHBondContact OG-CB 3.46Å; S19-M29 CarbonylContact C-O 3.58Å; S19-M29 WeakPolarHBondContact CA-O 3.28Å; S19-M29 VanDerWaalsContact CB-O 3.28Å; S19-M29 WeakPolarHBondContact CB-O 3.47Å; S19-T132 PolarHBondContact N-O 3.48Å; S19-T132 PolarHBondContact O-N 3.08Å; S19-T132 WeakPolarHBondContact OG-CB 3.38Å; S19-T132 PolarHBondContact OG-OG1 3.44Å
20V87.6Confident81Confident9 Ų964.4 Ų64.46%0.05535%0.352CS..EExtended strand (participates in β ladder)trans-128.9147.6-175.9-58.80000109.8L17 S28 M29 Y31 T105 Y131L17-V20 HydrophobicContact CD1-CG1 4.24Å; L17-V20 HydrophobicContact CD2-CG1 3.67Å; L17-V20 HydrophobicContact CG-CG1 4.06Å; V20-S28 CarbonylContact O-C 3.51Å; V20-S28 VanDerWaalsContact O-CA 3.27Å; V20-S28 WeakPolarHBondContact O-CA 3.42Å; V20-M29 HydrophobicContact CG2-CG 3.35Å; V20-M29 HydrophobicContact CG2-SD 4.03Å; V20-M29 PolarHBondContact N-O 2.91Å; V20-M29 PolarHBondContact O-N 3.46Å; V20-Y31 HydrophobicContact CG1-CD2 4.27Å; V20-T105 HydrophobicContact CB-CG2 4.11Å; V20-T105 HydrophobicContact CG1-CG2 3.67Å; V20-T105 HydrophobicContact CG2-CG2 4.13Å; V20-Y131 HydrophobicContact CB-CD1 4.26Å; V20-Y131 HydrophobicContact CB-CE1 4.17Å; V20-Y131 HydrophobicContact CG1-CD1 4.01Å; V20-Y131 HydrophobicContact CG1-CE1 4.08Å
21P82.3Confident81.1Confident32 Ų3264 Ų6421%0.20835%0.347CS..EExtended strand (participates in β ladder)trans-67138.1179.921.1-28.1000112.9L130 Y131P21-L130 HydrophobicContact CB-CB 3.88Å; P21-L130 HydrophobicContact CB-CD1 4.35Å; P21-L130 HydrophobicContact CG-CB 3.97Å; P21-Y131 HydrophobicContact CG-CD2 4.38Å; P21-Y131 HydrophobicContact CG-CE1 4.26Å; P21-Y131 HydrophobicContact CG-CE2 3.97Å
22L76.9Confident81Confident65 Ų6570.4 Ų70.434%0.3438%0.381SS..  trans-83.7110.4158.1-73.7155.2000107.6A24 T25 Q27 M29L22-A24 PolarHBondContact O-N 3.48Å; L22-T25 PolarHBondContact O-N 3.01Å; L22-Q27 WeakPolarHBondContact CB-O 3.18Å; L22-Q27 HydrophobicContact CD1-CB 4.05Å; L22-Q27 PolarHBondContact N-O 3.43Å; L22-M29 HydrophobicContact CD1-CB 4.09Å; L22-M29 HydrophobicContact CD2-CB 4.48Å; L22-M29 HydrophobicContact CD2-SD 3.95Å; L22-M29 HydrophobicContact CG-CB 4.12Å; L22-M29 HydrophobicContact CG-CG 4.33Å; L22-M29 HydrophobicContact CG-SD 4.38Å
23I64.3Low81Confident179 Ų17972.1 Ų72.192%0.91839%0.392SS*.THydrogen-bonded Turntrans-50.8-28.9-177.2-59171.8000112
24A58.5Low81.3Confident97 Ų9769 Ų6980%0.80238%0.376SS*.THydrogen-bonded Turntrans-86.5-23.6-174.100000116.1L22L22-A24 PolarHBondContact O-N 3.48Å
25T57.6Low81.5Confident68 Ų6876.8 Ų76.842%0.41741%0.407SS..THydrogen-bonded Turntrans-131.24.3-163.253.80000116.4L22 Q27L22-T25 PolarHBondContact O-N 3.01Å; T25-Q27 PolarHBondContact O-N 3.4Å; T25-Q27 WeakPolarHBondContact OG1-CB 3.2Å; T25-Q27 PolarHBondContact OG1-OE1 2.96Å
26F58.6Low81.7Confident186 Ų18679.5 Ų79.582%0.81642%0.421SS*.SBendtrans52.813.6-167.9-65.8-83.8000113.6
27Q67.7Low81.9Confident123 Ų12377.8 Ų77.858%0.57541%0.409SS*.PPolyproline II helixtrans-91.7152.7173.8-66173-20.200108.8L22 T25L22-Q27 WeakPolarHBondContact CB-O 3.18Å; L22-Q27 HydrophobicContact CD1-CB 4.05Å; L22-Q27 PolarHBondContact N-O 3.43Å; T25-Q27 PolarHBondContact O-N 3.4Å; T25-Q27 WeakPolarHBondContact OG1-CB 3.2Å; T25-Q27 PolarHBondContact OG1-OE1 2.96Å
28S75Confident82Confident62 Ų6279.8 Ų79.843%0.43442%0.423SS..EExtended strand (participates in β ladder)trans-99.4137170630000110.1S19 V20S19-S28 WeakPolarHBondContact OG-CB 3.46Å; V20-S28 CarbonylContact O-C 3.51Å; V20-S28 VanDerWaalsContact O-CA 3.27Å; V20-S28 WeakPolarHBondContact O-CA 3.42Å
29M83.9Confident82.2Confident94 Ų9479.3 Ų79.346%0.46343%0.429SS..EExtended strand (participates in β ladder)trans-97.1149.8164.569-174.7-60.500110.1S19 V20 L22 Y31S19-M29 CarbonylContact C-O 3.58Å; S19-M29 WeakPolarHBondContact CA-O 3.28Å; S19-M29 VanDerWaalsContact CB-O 3.28Å; S19-M29 WeakPolarHBondContact CB-O 3.47Å; V20-M29 HydrophobicContact CG2-CG 3.35Å; V20-M29 HydrophobicContact CG2-SD 4.03Å; V20-M29 PolarHBondContact N-O 2.91Å; V20-M29 PolarHBondContact O-N 3.46Å; L22-M29 HydrophobicContact CD1-CB 4.09Å; L22-M29 HydrophobicContact CD2-CB 4.48Å; L22-M29 HydrophobicContact CD2-SD 3.95Å; L22-M29 HydrophobicContact CG-CB 4.12Å; L22-M29 HydrophobicContact CG-CG 4.33Å; L22-M29 HydrophobicContact CG-SD 4.38Å; M29-Y31 PolarHBondContact O-N 3.29Å
30E87Confident82.6Confident165 Ų16579 Ų7977%0.77143%0.427SS*.EExtended strand (participates in β ladder)trans-60.4136.4173.3-166.9171.7-174.700110.1N32E30-N32 PolarHBondContact O-N 2.78Å
31Y91.6Very high82.9Confident13 Ų1380 Ų805%0.05143%0.432CS..PPolyproline II helixtrans-65.9130.2175.4170.5-115.8000109.2L17 H18 V20 M29 P33 E37 N103L17-Y31 HydrophobicContact CB-CD1 4.16Å; L17-Y31 HydrophobicContact CB-CG 4.25Å; L17-Y31 HydrophobicContact CD2-CD2 3.66Å; L17-Y31 HydrophobicContact CD2-CE2 4Å; L17-Y31 HydrophobicContact CD2-CG 3.98Å; L17-Y31 HydrophobicContact CG-CD1 4.38Å; L17-Y31 HydrophobicContact CG-CD2 4.17Å; L17-Y31 HydrophobicContact CG-CG 3.95Å; L17-Y31 VanDerWaalsContact O-CD1 3.28Å; L17-Y31 WeakPolarHBondContact O-CD1 3.33Å; H18-Y31 PolarHBondContact O-N 3.04Å; V20-Y31 HydrophobicContact CG1-CD2 4.27Å; M29-Y31 PolarHBondContact O-N 3.29Å; Y31-P33 HydrophobicContact CD1-CB 4.41Å; Y31-P33 HydrophobicContact CE1-CB 3.87Å; Y31-P33 WeakPolarHBondContact O-CD 3.3Å; Y31-E37 WeakPolarHBondContact CE1-OE2 3.44Å; Y31-E37 PolarHBondContact OH-OE2 3.24Å; Y31-N103 VanDerWaalsContact CE2-ND2 3.33Å; Y31-N103 WeakPolarHBondContact CE2-ND2 3.28Å; Y31-N103 PolarHBondContact OH-ND2 3.45Å
32N92.6Very high83.3Confident133 Ų13382 Ų8271%0.71145%0.446SS*.  trans-97.595.1178.2-172.211000110.5E30 N103E30-N32 PolarHBondContact O-N 2.78Å; N32-N103 PolarHBondContact O-ND2 2.92Å
33P92.2Very high84.1Confident39 Ų3980.9 Ų80.925%0.25345%0.446SS..  trans-69.7138.2174.728.5-35.5000111.1Y31 E37 S38Y31-P33 HydrophobicContact CD1-CB 4.41Å; Y31-P33 HydrophobicContact CE1-CB 3.87Å; Y31-P33 WeakPolarHBondContact O-CD 3.3Å; P33-E37 HydrophobicContact CB-CB 4.11Å; P33-E37 HydrophobicContact CB-CG 3.86Å; P33-S38 WeakPolarHBondContact CB-OG 3.39Å; P33-S38 VanDerWaalsContact CG-OG 3.25Å; P33-S38 WeakPolarHBondContact CG-OG 3.29Å; P33-S38 PolarHBondContact O-OG 3.46Å
34N94.4Very high85.5Confident49 Ų4972.6 Ų72.626%0.26240%0.404SS..  trans-68.1165.4171.661.142.6000111.6L36 E37 S38 G99N34-L36 PolarHBondContact O-N 2.73Å; N34-L36 VanDerWaalsContact O-N 3.15Å; N34-L36 PolarHBondContact OD1-N 2.55Å; N34-E37 PolarHBondContact O-N 3.03Å; N34-E37 VanDerWaalsContact O-N 3.12Å; N34-E37 PolarHBondContact OD1-N 2.99Å; N34-S38 PolarHBondContact O-N 2.76Å; N34-S38 PolarHBondContact O-OG 3.04Å; N34-G99 PolarHBondContact ND2-O 3.21Å; N34-G99 WeakPolarHBondContact OD1-CA 3.29Å
35F94.2Very high86.9Confident177 Ų17774.3 Ų74.378%0.77639%0.393SS*.Hα-helixtrans-53.2-39.1-178.6178.3-101.7000113S38 A39F35-S38 PolarHBondContact O-N 3.12Å; F35-A39 HydrophobicContact CE1-CB 4.45Å; F35-A39 HydrophobicContact CZ-CB 4.31Å; F35-A39 VanDerWaalsContact O-CB 3.26Å; F35-A39 WeakPolarHBondContact O-CB 3.43Å; F35-A39 PolarHBondContact O-N 3.19Å
36L94.2Very high88.5Confident61 Ų6176.5 Ų76.532%0.31940%0.4SS..Hα-helixtrans-64.4-44.3-179.1-167.765.3000111.7N34 S40 L95 T98N34-L36 PolarHBondContact O-N 2.73Å; N34-L36 VanDerWaalsContact O-N 3.15Å; N34-L36 PolarHBondContact OD1-N 2.55Å; L36-S40 VanDerWaalsContact O-CB 3.27Å; L36-S40 WeakPolarHBondContact O-CB 3.09Å; L36-S40 PolarHBondContact O-N 3.27Å; L36-S40 PolarHBondContact O-OG 2.89Å; L36-L95 HydrophobicContact CD1-CB 4.07Å; L36-L95 HydrophobicContact CD1-CD2 3.93Å; L36-L95 HydrophobicContact CD1-CG 4.44Å; L36-L95 WeakPolarHBondContact CD2-O 3.31Å; L36-L95 HydrophobicContact CG-CB 4.3Å; L36-L95 WeakPolarHBondContact CG-O 3.48Å; L36-T98 HydrophobicContact CD2-CG2 3.93Å
37E94.5Very high90.1Very high4 Ų469 Ų692%0.01937%0.367CS..Hα-helixtrans-67-44.6173.6174.9167.8-161.600112Y31 P33 N34 S40 N41 R96 R100Y31-E37 WeakPolarHBondContact CE1-OE2 3.44Å; Y31-E37 PolarHBondContact OH-OE2 3.24Å; P33-E37 HydrophobicContact CB-CB 4.11Å; P33-E37 HydrophobicContact CB-CG 3.86Å; N34-E37 PolarHBondContact O-N 3.03Å; N34-E37 VanDerWaalsContact O-N 3.12Å; N34-E37 PolarHBondContact OD1-N 2.99Å; E37-S40 WeakPolarHBondContact CA-OG 3.19Å; E37-S40 PolarHBondContact O-OG 3.29Å; E37-N41 VanDerWaalsContact CG-ND2 3.25Å; E37-N41 WeakPolarHBondContact CG-ND2 3.32Å; E37-N41 WeakPolarHBondContact O-CB 3.3Å; E37-N41 VanDerWaalsContact O-CG 3.24Å; E37-N41 PolarHBondContact O-N 2.97Å; E37-N41 PolarHBondContact O-ND2 3.32Å; E37-R96 HydrophobicContact CG-CG 4.41Å; E37-R100 VanDerWaalsContact CD-CG 3.44Å; E37-R100 HydrophobicContact CG-CG 4.3Å; E37-R100 WeakPolarHBondContact OE1-CG 3.3Å; E37-R100 IonicContact OE1-CZ 3.79Å; E37-R100 IonicContact OE1-NE 3.99Å; E37-R100 PolarHBondContact OE1-NE 3.49Å; E37-R100 IonicContact OE1-NH2 2.78Å; E37-R100 WeakPolarHBondContact OE2-CG 3.39Å
38S93.1Very high91.1Very high50 Ų5067.5 Ų67.535%0.3536%0.36SS..Hα-helixtrans-63.8-47.7-178.1-67.10000112.6P33 N34 F35 N41 C42P33-S38 WeakPolarHBondContact CB-OG 3.39Å; P33-S38 VanDerWaalsContact CG-OG 3.25Å; P33-S38 WeakPolarHBondContact CG-OG 3.29Å; P33-S38 PolarHBondContact O-OG 3.46Å; N34-S38 PolarHBondContact O-N 2.76Å; N34-S38 PolarHBondContact O-OG 3.04Å; F35-S38 PolarHBondContact O-N 3.12Å; S38-N41 PolarHBondContact O-N 3.32Å; S38-C42 PolarHBondContact O-N 2.75Å; S38-C42 VanDerWaalsContact O-N 3.08Å
39A93.6Very high91.7Very high46 Ų4668.3 Ų68.338%0.3836%0.358SS..Hα-helixtrans-65.5-43178.900000111.8F35 C42 A43F35-A39 HydrophobicContact CE1-CB 4.45Å; F35-A39 HydrophobicContact CZ-CB 4.31Å; F35-A39 VanDerWaalsContact O-CB 3.26Å; F35-A39 WeakPolarHBondContact O-CB 3.43Å; F35-A39 PolarHBondContact O-N 3.19Å; A39-C42 WeakPolarHBondContact O-CB 3.35Å; A39-C42 PolarHBondContact O-N 3.3Å; A39-A43 PolarHBondContact O-N 3.44Å; A39-A43 VanDerWaalsContact O-N 3.12Å
40S95.1Very high91.9Very high6 Ų667.3 Ų67.34%0.04236%0.358CS..Hα-helixtrans-68.3-39.6177.755.70000112.9L36 E37 C42 A43 I44 A92 R96L36-S40 VanDerWaalsContact O-CB 3.27Å; L36-S40 WeakPolarHBondContact O-CB 3.09Å; L36-S40 PolarHBondContact O-N 3.27Å; L36-S40 PolarHBondContact O-OG 2.89Å; E37-S40 WeakPolarHBondContact CA-OG 3.19Å; E37-S40 PolarHBondContact O-OG 3.29Å; S40-C42 VanDerWaalsContact C-N 3.28Å; S40-C42 PolarHBondContact O-N 2.96Å; S40-A43 PolarHBondContact O-N 2.96Å; S40-I44 WeakPolarHBondContact O-CB 3.47Å; S40-I44 WeakPolarHBondContact O-CD1 3.36Å; S40-I44 VanDerWaalsContact O-CG1 3.26Å; S40-I44 WeakPolarHBondContact O-CG1 3.41Å; S40-I44 PolarHBondContact O-N 3.37Å; S40-A92 VanDerWaalsContact CB-O 3.27Å; S40-A92 WeakPolarHBondContact CB-O 3.21Å; S40-R96 WeakPolarHBondContact OG-CA 3.3Å; S40-R96 VanDerWaalsContact OG-CB 3.29Å; S40-R96 WeakPolarHBondContact OG-CB 3.39Å; S40-R96 PolarHBondContact OG-N 3.27Å
41N92.6Very high92Very high31 Ų3162.5 Ų62.517%0.16634%0.34CS..Hα-helixtrans-60.4-38.5173.2-82.6-30.3000111.9E37 S38 I44 K45 R96E37-N41 VanDerWaalsContact CG-ND2 3.25Å; E37-N41 WeakPolarHBondContact CG-ND2 3.32Å; E37-N41 WeakPolarHBondContact O-CB 3.3Å; E37-N41 VanDerWaalsContact O-CG 3.24Å; E37-N41 PolarHBondContact O-N 2.97Å; E37-N41 PolarHBondContact O-ND2 3.32Å; S38-N41 PolarHBondContact O-N 3.32Å; N41-I44 PolarHBondContact O-N 3.08Å; N41-K45 WeakPolarHBondContact O-CB 3.35Å; N41-K45 VanDerWaalsContact O-CG 3.29Å; N41-K45 WeakPolarHBondContact O-CG 3.44Å; N41-K45 PolarHBondContact O-N 3.38Å; N41-R96 WeakPolarHBondContact OD1-CD 3.37Å
42C92.5Very high91.6Very high74 Ų7463.1 Ų63.150%0.535%0.35SS..Hα-helixtrans-60.8-50.6173.5-172.60000111.1S38 A39 S40 I44 K45 M46S38-C42 PolarHBondContact O-N 2.75Å; S38-C42 VanDerWaalsContact O-N 3.08Å; A39-C42 WeakPolarHBondContact O-CB 3.35Å; A39-C42 PolarHBondContact O-N 3.3Å; S40-C42 VanDerWaalsContact C-N 3.28Å; S40-C42 PolarHBondContact O-N 2.96Å; C42-I44 VanDerWaalsContact C-N 3.35Å; C42-I44 PolarHBondContact O-N 3.4Å; C42-K45 PolarHBondContact O-N 3.14Å; C42-M46 VanDerWaalsContact O-CG 3.32Å; C42-M46 WeakPolarHBondContact O-CG 3.46Å; C42-M46 PolarHBondContact O-N 3.32Å
43A92.8Very high91.2Very high42 Ų4260.9 Ų60.935%0.34734%0.341SS..Hα-helixtrans-59.4-42.3177.900000112.9A39 S40 M46 F47 A92A39-A43 PolarHBondContact O-N 3.44Å; A39-A43 VanDerWaalsContact O-N 3.12Å; S40-A43 PolarHBondContact O-N 2.96Å; A43-M46 PolarHBondContact O-N 3.09Å; A43-F47 WeakPolarHBondContact O-CB 3.5Å; A43-F47 PolarHBondContact O-N 2.98Å; A43-A92 HydrophobicContact CB-CB 4.07Å
44I93.1Very high91Very high4 Ų462.9 Ų62.92%0.02135%0.349CS..Hα-helixtrans-61.5-48.2176.2-71.5160.6000110.9S40 N41 C42 M46 F47 Q48 Y89 A92 L93 R96S40-I44 WeakPolarHBondContact O-CB 3.47Å; S40-I44 WeakPolarHBondContact O-CD1 3.36Å; S40-I44 VanDerWaalsContact O-CG1 3.26Å; S40-I44 WeakPolarHBondContact O-CG1 3.41Å; S40-I44 PolarHBondContact O-N 3.37Å; N41-I44 PolarHBondContact O-N 3.08Å; C42-I44 VanDerWaalsContact C-N 3.35Å; C42-I44 PolarHBondContact O-N 3.4Å; I44-M46 PolarHBondContact O-N 3.35Å; I44-F47 PolarHBondContact O-N 3.48Å; I44-Q48 VanDerWaalsContact O-CG 3.3Å; I44-Q48 WeakPolarHBondContact O-CG 3.43Å; I44-Q48 PolarHBondContact O-N 3.21Å; I44-Y89 HydrophobicContact CB-CE2 4.41Å; I44-Y89 HydrophobicContact CG1-CD2 4.47Å; I44-Y89 HydrophobicContact CG1-CE2 4.27Å; I44-Y89 HydrophobicContact CG2-CE2 4.06Å; I44-A92 HydrophobicContact CD1-CB 4.4Å; I44-A92 HydrophobicContact CG1-CB 3.9Å; I44-L93 HydrophobicContact CD1-CD2 3.78Å; I44-L93 HydrophobicContact CD1-CG 4.39Å; I44-L93 HydrophobicContact CG1-CD2 4.19Å; I44-R96 HydrophobicContact CD1-CB 4.1Å
45K89.2Confident90.4Very high133 Ų13366.8 Ų66.858%0.57836%0.364SS*.Hα-helixtrans-60.7-45.6178.3-76.2176-179.1-177.80111.2N41 C42 F47 Q48 I49N41-K45 WeakPolarHBondContact O-CB 3.35Å; N41-K45 VanDerWaalsContact O-CG 3.29Å; N41-K45 WeakPolarHBondContact O-CG 3.44Å; N41-K45 PolarHBondContact O-N 3.38Å; C42-K45 PolarHBondContact O-N 3.14Å; K45-F47 PolarHBondContact O-N 3.01Å; K45-Q48 PolarHBondContact O-N 3.15Å; K45-I49 VanDerWaalsContact O-CG1 3.28Å; K45-I49 WeakPolarHBondContact O-CG1 3.28Å; K45-I49 PolarHBondContact O-N 3.14Å
46M91Very high89.7Confident114 Ų11465 Ų6556%0.56235%0.352SS*.Hα-helixtrans-60.2-46.5177.7-68.6-59.5-76.100111.4C42 A43 I44 Q48 I49 T50C42-M46 VanDerWaalsContact O-CG 3.32Å; C42-M46 WeakPolarHBondContact O-CG 3.46Å; C42-M46 PolarHBondContact O-N 3.32Å; A43-M46 PolarHBondContact O-N 3.09Å; I44-M46 PolarHBondContact O-N 3.35Å; M46-Q48 PolarHBondContact O-N 3.32Å; M46-I49 PolarHBondContact O-N 3.27Å; M46-T50 PolarHBondContact O-N 3.42Å; M46-T50 PolarHBondContact O-OG1 3.17Å
47F92.2Very high89.2Confident30 Ų3064.4 Ų64.413%0.13235%0.351CS..Hα-helixtrans-58-46.7175.3178.1-90.4000112.1A43 I44 K45 I49 T50 V51 T85 F86 Y89A43-F47 WeakPolarHBondContact O-CB 3.5Å; A43-F47 PolarHBondContact O-N 2.98Å; I44-F47 PolarHBondContact O-N 3.48Å; K45-F47 PolarHBondContact O-N 3.01Å; F47-I49 PolarHBondContact O-N 3.28Å; F47-T50 PolarHBondContact O-N 2.83Å; F47-V51 HydrophobicContact CD1-CG2 4.04Å; F47-V51 HydrophobicContact CE1-CG2 3.62Å; F47-V51 HydrophobicContact CE2-CG2 4.19Å; F47-V51 HydrophobicContact CZ-CG2 3.71Å; F47-V51 WeakPolarHBondContact O-CG2 3.47Å; F47-V51 PolarHBondContact O-N 3.05Å; F47-T85 HydrophobicContact CD2-CG2 3.7Å; F47-T85 HydrophobicContact CE2-CG2 3.6Å; F47-F86 HydrophobicContact CZ-CD1 4.11Å; F47-F86 AromaticContact CZ-CE1 3.93Å; F47-F86 HydrophobicContact CZ-CE1 3.93Å; F47-F86 HydrophobicContact CZ-CE2 4.35Å; F47-F86 HydrophobicContact CZ-CG 4.41Å; F47-F86 HydrophobicContact CZ-CZ 4.06Å; F47-Y89 HydrophobicContact CB-CD2 3.76Å; F47-Y89 HydrophobicContact CB-CE2 4.37Å; F47-Y89 HydrophobicContact CD1-CD1 4.22Å; F47-Y89 AromaticContact CD1-CD2 3.19Å; F47-Y89 HydrophobicContact CD1-CD2 3.19Å; F47-Y89 HydrophobicContact CD1-CE1 4.43Å; F47-Y89 AromaticContact CD1-CE2 3.44Å; F47-Y89 HydrophobicContact CD1-CE2 3.44Å; F47-Y89 VanDerWaalsContact CD1-CE2 3.44Å; F47-Y89 AromaticContact CD1-CG 3.61Å; F47-Y89 HydrophobicContact CD1-CG 3.61Å; F47-Y89 HydrophobicContact CD2-CD2 4.18Å; F47-Y89 HydrophobicContact CD2-CG 4.16Å; F47-Y89 AromaticContact CE1-CD1 3.9Å; F47-Y89 HydrophobicContact CE1-CD1 3.9Å; F47-Y89 AromaticContact CE1-CD2 3.74Å; F47-Y89 HydrophobicContact CE1-CD2 3.74Å; F47-Y89 HydrophobicContact CE1-CE1 4.14Å; F47-Y89 AromaticContact CE1-CE2 3.97Å; F47-Y89 HydrophobicContact CE1-CE2 3.97Å; F47-Y89 AromaticContact CE1-CG 3.68Å; F47-Y89 HydrophobicContact CE1-CG 3.68Å; F47-Y89 HydrophobicContact CE2-CG 4.23Å; F47-Y89 AromaticContact CG-CD2 3.43Å; F47-Y89 HydrophobicContact CG-CD2 3.43Å; F47-Y89 VanDerWaalsContact CG-CD2 3.43Å; F47-Y89 HydrophobicContact CG-CE2 4.1Å; F47-Y89 AromaticContact CG-CG 3.85Å; F47-Y89 HydrophobicContact CG-CG 3.85Å; F47-Y89 HydrophobicContact CZ-CD1 4.23Å; F47-Y89 HydrophobicContact CZ-CD2 4.42Å; F47-Y89 HydrophobicContact CZ-CG 4Å
48Q88.7Confident88.8Confident90 Ų9066.8 Ų66.842%0.42137%0.365SS..Hα-helixtrans-62.6-41.1179.6-73173.9-9.900112.2I44 K45 M46 G52I44-Q48 VanDerWaalsContact O-CG 3.3Å; I44-Q48 WeakPolarHBondContact O-CG 3.43Å; I44-Q48 PolarHBondContact O-N 3.21Å; K45-Q48 PolarHBondContact O-N 3.15Å; M46-Q48 PolarHBondContact O-N 3.32Å; Q48-G52 PolarHBondContact O-N 3.24Å
49I87.9Confident88.1Confident79 Ų7971 Ų7141%0.40538%0.383SS..Hα-helixtrans-61.9-48.2174.3-68.8165.6000110K45 M46 F47 V51 G52 V53 W190K45-I49 VanDerWaalsContact O-CG1 3.28Å; K45-I49 WeakPolarHBondContact O-CG1 3.28Å; K45-I49 PolarHBondContact O-N 3.14Å; M46-I49 PolarHBondContact O-N 3.27Å; F47-I49 PolarHBondContact O-N 3.28Å; I49-V51 PolarHBondContact O-N 2.71Å; I49-G52 WeakPolarHBondContact O-CA 3.28Å; I49-G52 PolarHBondContact O-N 2.73Å; I49-G52 VanDerWaalsContact O-N 3.13Å; I49-V53 WeakPolarHBondContact O-CG2 3.34Å; I49-V53 PolarHBondContact O-N 3.17Å; I49-W190 HydrophobicContact CG1-CH2 4.16Å
50T88.4Confident87.7Confident74 Ų7477.3 Ų77.345%0.45440%0.402SS..Hα-helixtrans-59.5-47.6178.9-57.70000111.8M46 F47 G52 V53 I54M46-T50 PolarHBondContact O-N 3.42Å; M46-T50 PolarHBondContact O-OG1 3.17Å; F47-T50 PolarHBondContact O-N 2.83Å; T50-G52 VanDerWaalsContact C-N 3.28Å; T50-G52 PolarHBondContact O-N 3.12Å; T50-V53 PolarHBondContact O-N 3.27Å; T50-I54 HydrophobicContact CG2-CD1 3.89Å; T50-I54 HydrophobicContact CG2-CG1 4.46Å; T50-I54 WeakPolarHBondContact O-CB 3.11Å; T50-I54 VanDerWaalsContact O-CG1 3.27Å; T50-I54 WeakPolarHBondContact O-CG1 3.42Å; T50-I54 PolarHBondContact O-N 3.44Å
51V87.3Confident87.3Confident63 Ų6381.1 Ų81.138%0.38242%0.416SS..Hα-helixtrans-61-39.3175.7171.70000111.1F47 I49 I54 K55F47-V51 HydrophobicContact CD1-CG2 4.04Å; F47-V51 HydrophobicContact CE1-CG2 3.62Å; F47-V51 HydrophobicContact CE2-CG2 4.19Å; F47-V51 HydrophobicContact CZ-CG2 3.71Å; F47-V51 WeakPolarHBondContact O-CG2 3.47Å; F47-V51 PolarHBondContact O-N 3.05Å; I49-V51 PolarHBondContact O-N 2.71Å; V51-I54 PolarHBondContact O-N 3.1Å; V51-K55 WeakPolarHBondContact O-CB 3.22Å; V51-K55 PolarHBondContact O-N 2.99Å
52G83.7Confident87Confident27 Ų2780.8 Ų80.828%0.27842%0.416SS..Hα-helixtrans-58.3-49.6173.500000112.4Q48 I49 T50 K55 W56Q48-G52 PolarHBondContact O-N 3.24Å; I49-G52 WeakPolarHBondContact O-CA 3.28Å; I49-G52 PolarHBondContact O-N 2.73Å; I49-G52 VanDerWaalsContact O-N 3.13Å; T50-G52 VanDerWaalsContact C-N 3.28Å; T50-G52 PolarHBondContact O-N 3.12Å; G52-K55 WeakPolarHBondContact O-CB 3.31Å; G52-K55 PolarHBondContact O-N 2.86Å; G52-W56 PolarHBondContact O-N 3.17Å
53V85.2Confident86.7Confident85 Ų8581.4 Ų81.452%0.51542%0.419SS..Hα-helixtrans-62.8-43.7177.9173.30000111.4I49 T50 K55 W56 T57I49-V53 WeakPolarHBondContact O-CG2 3.34Å; I49-V53 PolarHBondContact O-N 3.17Å; T50-V53 PolarHBondContact O-N 3.27Å; V53-K55 VanDerWaalsContact C-N 3.33Å; V53-K55 PolarHBondContact O-N 3.15Å; V53-W56 PolarHBondContact O-N 3.06Å; V53-T57 HydrophobicContact CG1-CG2 4.17Å; V53-T57 WeakPolarHBondContact O-CB 3.4Å; V53-T57 VanDerWaalsContact O-CG2 3.31Å; V53-T57 WeakPolarHBondContact O-CG2 3.47Å; V53-T57 PolarHBondContact O-N 3.37Å; V53-T57 PolarHBondContact O-OG1 2.63Å
54I86.7Confident86.4Confident81 Ų8187.9 Ų87.942%0.41544%0.435SS..Hα-helixtrans-58.1-47.6175.9-72.4171.2000110.1T50 V51 W56 T57 V58 W61T50-I54 HydrophobicContact CG2-CD1 3.89Å; T50-I54 HydrophobicContact CG2-CG1 4.46Å; T50-I54 WeakPolarHBondContact O-CB 3.11Å; T50-I54 VanDerWaalsContact O-CG1 3.27Å; T50-I54 WeakPolarHBondContact O-CG1 3.42Å; T50-I54 PolarHBondContact O-N 3.44Å; V51-I54 PolarHBondContact O-N 3.1Å; I54-W56 VanDerWaalsContact C-N 3.27Å; I54-W56 PolarHBondContact O-N 3.12Å; I54-T57 PolarHBondContact O-N 3.24Å; I54-T57 PolarHBondContact O-OG1 3.29Å; I54-V58 WeakPolarHBondContact O-CB 3.48Å; I54-V58 PolarHBondContact O-N 3.37Å; I54-W61 HydrophobicContact CG2-CH2 4.33Å; I54-W61 HydrophobicContact CG2-CZ2 3.81Å
55K82.5Confident86Confident132 Ų13288.2 Ų88.257%0.57444%0.438SS*.Hα-helixtrans-56.5-40.6-179.4-179.6-179.5177.2178.70112.3V51 G52 V53 V58V51-K55 WeakPolarHBondContact O-CB 3.22Å; V51-K55 PolarHBondContact O-N 2.99Å; G52-K55 WeakPolarHBondContact O-CB 3.31Å; G52-K55 PolarHBondContact O-N 2.86Å; V53-K55 VanDerWaalsContact C-N 3.33Å; V53-K55 PolarHBondContact O-N 3.15Å; K55-V58 WeakPolarHBondContact O-CG1 3.5Å
56W78.8Confident85.9Confident139 Ų13988.9 Ų88.953%0.52744%0.441SS..Hα-helixtrans-84-25.2-178.8-70.8112.2000113.8G52 V53 I54G52-W56 PolarHBondContact O-N 3.17Å; V53-W56 PolarHBondContact O-N 3.06Å; I54-W56 VanDerWaalsContact C-N 3.27Å; I54-W56 PolarHBondContact O-N 3.12Å
57T85.3Confident85.7Confident49 Ų4993 Ų9330%0.30145%0.451SS..Hα-helixtrans-92.9-13-178.856.90000113.7V53 I54 L59 F60 W61V53-T57 HydrophobicContact CG1-CG2 4.17Å; V53-T57 WeakPolarHBondContact O-CB 3.4Å; V53-T57 VanDerWaalsContact O-CG2 3.31Å; V53-T57 WeakPolarHBondContact O-CG2 3.47Å; V53-T57 PolarHBondContact O-N 3.37Å; V53-T57 PolarHBondContact O-OG1 2.63Å; I54-T57 PolarHBondContact O-N 3.24Å; I54-T57 PolarHBondContact O-OG1 3.29Å; T57-L59 PolarHBondContact O-N 2.97Å; T57-F60 WeakPolarHBondContact O-CB 3.3Å; T57-F60 PolarHBondContact O-N 3.48Å; T57-W61 PolarHBondContact O-NE1 3.24Å; T57-W61 PolarHBondContact OG1-NE1 3.03Å
58V85.2Confident85.3Confident53 Ų5394 Ų9432%0.32146%0.457SS..Hα-helixtrans-52.2-35-172.671.20000113.9I54 K55 F60 W61 S62I54-V58 WeakPolarHBondContact O-CB 3.48Å; I54-V58 PolarHBondContact O-N 3.37Å; K55-V58 WeakPolarHBondContact O-CG1 3.5Å; V58-F60 VanDerWaalsContact C-N 3.26Å; V58-F60 PolarHBondContact O-N 3Å; V58-W61 HydrophobicContact CB-CZ2 3.95Å; V58-W61 HydrophobicContact CG2-CH2 3.97Å; V58-W61 HydrophobicContact CG2-CZ2 3.86Å; V58-S62 WeakPolarHBondContact O-CA 3.46Å; V58-S62 WeakPolarHBondContact O-CB 3.32Å; V58-S62 PolarHBondContact O-N 2.95Å; V58-S62 PolarHBondContact O-OG 2.88Å
59L79.3Confident85.1Confident138 Ų13891.8 Ų91.872%0.72345%0.448SS*.Hα-helixtrans-64.7-30.1179-65.1176.1000112.8T57T57-L59 PolarHBondContact O-N 2.97Å
60F84.8Confident84.9Confident180 Ų18096.7 Ų96.779%0.78947%0.467SS*.Hα-helixtrans-80.7-35.3-177.4-60.9-75.7000113.1T57 V58T57-F60 WeakPolarHBondContact O-CB 3.3Å; T57-F60 PolarHBondContact O-N 3.48Å; V58-F60 VanDerWaalsContact C-N 3.26Å; V58-F60 PolarHBondContact O-N 3Å
61W85.7Confident84.7Confident85 Ų8598.3 Ų98.332%0.32247%0.472SS..Hα-helixtrans-109.2-8.7-175.457.7-98.4000114I54 T57 V58 W64 A65I54-W61 HydrophobicContact CG2-CH2 4.33Å; I54-W61 HydrophobicContact CG2-CZ2 3.81Å; T57-W61 PolarHBondContact O-NE1 3.24Å; T57-W61 PolarHBondContact OG1-NE1 3.03Å; V58-W61 HydrophobicContact CB-CZ2 3.95Å; V58-W61 HydrophobicContact CG2-CH2 3.97Å; V58-W61 HydrophobicContact CG2-CZ2 3.86Å; W61-W64 PolarHBondContact O-N 2.87Å; W61-A65 HydrophobicContact CE3-CB 3.73Å; W61-A65 HydrophobicContact CZ3-CB 3.83Å; W61-A65 PolarHBondContact O-N 3.23Å
62S86Confident84.6Confident24 Ų24103.7 Ų103.717%0.16849%0.486CS..Hα-helixtrans-59.4-39.6179.154.70000114.3V58 W64 A65 F66V58-S62 WeakPolarHBondContact O-CA 3.46Å; V58-S62 WeakPolarHBondContact O-CB 3.32Å; V58-S62 PolarHBondContact O-N 2.95Å; V58-S62 PolarHBondContact O-OG 2.88Å; S62-W64 VanDerWaalsContact C-N 3.3Å; S62-W64 PolarHBondContact O-N 2.72Å; S62-A65 PolarHBondContact O-N 3.32Å; S62-A65 VanDerWaalsContact O-N 3.17Å; S62-F66 WeakPolarHBondContact O-CB 3.37Å; S62-F66 WeakPolarHBondContact O-CD2 3.24Å; S62-F66 PolarHBondContact O-N 3.28Å
63P86.4Confident84.9Confident88 Ų88108 Ų10857%0.57150%0.503SS*.Hα-helixtrans-62.3-39.3177.5-2335.5000112.4R67P63-R67 PolarHBondContact O-N 3.38Å; P63-R67 VanDerWaalsContact O-N 3.15Å
64W87.3Confident85Confident177 Ų177107 Ų10767%0.6750%0.495SS*.Hα-helixtrans-66.2-44.7173.9172.290.5000111.3W61 S62 R67 N68W61-W64 PolarHBondContact O-N 2.87Å; S62-W64 VanDerWaalsContact C-N 3.3Å; S62-W64 PolarHBondContact O-N 2.72Å; W64-R67 PolarHBondContact O-N 2.8Å; W64-N68 PolarHBondContact NE1-ND2 3.35Å; W64-N68 PolarHBondContact O-N 2.87Å; W64-N68 VanDerWaalsContact O-N 3.09Å; W64-N68 PolarHBondContact O-ND2 3.29Å
65A85.6Confident85.1Confident11 Ų11108.3 Ų108.39%0.09150%0.498CS..Hα-helixtrans-62.6-47.2177.900000111.8W61 S62 R67 N68 L69W61-A65 HydrophobicContact CE3-CB 3.73Å; W61-A65 HydrophobicContact CZ3-CB 3.83Å; W61-A65 PolarHBondContact O-N 3.23Å; S62-A65 PolarHBondContact O-N 3.32Å; S62-A65 VanDerWaalsContact O-N 3.17Å; A65-R67 PolarHBondContact O-N 3.16Å; A65-N68 PolarHBondContact O-N 3.07Å; A65-N68 VanDerWaalsContact O-N 3.13Å; A65-L69 HydrophobicContact CB-CD1 4.33Å; A65-L69 VanDerWaalsContact O-CB 3.31Å; A65-L69 WeakPolarHBondContact O-CB 3.31Å; A65-L69 WeakPolarHBondContact O-CG 3.46Å; A65-L69 PolarHBondContact O-N 3.22Å
66F85.6Confident85.5Confident147 Ų147107.1 Ų107.165%0.64549%0.493SS*.Hα-helixtrans-60.5-33.5177.3-77.8-61.2000112.9S62S62-F66 WeakPolarHBondContact O-CB 3.37Å; S62-F66 WeakPolarHBondContact O-CD2 3.24Å; S62-F66 PolarHBondContact O-N 3.28Å
67R86.4Confident86Confident202 Ų202104.5 Ų104.576%0.76249%0.486SS*.Hα-helixtrans-68-44.1174.7-176.2178.8174.5-175.3-1.8111.7P63 W64 A65P63-R67 PolarHBondContact O-N 3.38Å; P63-R67 VanDerWaalsContact O-N 3.15Å; W64-R67 PolarHBondContact O-N 2.8Å; A65-R67 PolarHBondContact O-N 3.16Å
68N84.9Confident86.1Confident49 Ų49106.4 Ų106.426%0.26249%0.491SS..Hα-helixtrans-79.9-32.3-175.3-71.6-67.2000113.6W64 A65 K70 L71 N74W64-N68 PolarHBondContact NE1-ND2 3.35Å; W64-N68 PolarHBondContact O-N 2.87Å; W64-N68 VanDerWaalsContact O-N 3.09Å; W64-N68 PolarHBondContact O-ND2 3.29Å; A65-N68 PolarHBondContact O-N 3.07Å; A65-N68 VanDerWaalsContact O-N 3.13Å; N68-K70 PolarHBondContact O-N 3.28Å; N68-L71 PolarHBondContact O-N 3.19Å; N68-N74 VanDerWaalsContact O-CB 3.27Å; N68-N74 WeakPolarHBondContact O-CB 3.26Å; N68-N74 PolarHBondContact O-ND2 3.04Å
69L85Confident86.3Confident45 Ų45106 Ų10624%0.23649%0.49CS..THydrogen-bonded Turntrans-70.6-5.9178.5-70.2171.1000113.7A65 L71 F78A65-L69 HydrophobicContact CB-CD1 4.33Å; A65-L69 VanDerWaalsContact O-CB 3.31Å; A65-L69 WeakPolarHBondContact O-CB 3.31Å; A65-L69 WeakPolarHBondContact O-CG 3.46Å; A65-L69 PolarHBondContact O-N 3.22Å; L69-L71 PolarHBondContact O-N 2.83Å; L69-F78 HydrophobicContact CD2-CB 3.54Å; L69-F78 HydrophobicContact CD2-CD1 3.95Å; L69-F78 HydrophobicContact CD2-CD2 4.46Å; L69-F78 HydrophobicContact CD2-CG 3.74Å
70K82.2Confident87Confident182 Ų182105.8 Ų105.879%0.79148%0.48SS*.THydrogen-bonded Turntrans-69.8-23.8171.1-72-178.3-178.7-172.70112.8N68N68-K70 PolarHBondContact O-N 3.28Å
71L85.7Confident87.3Confident107 Ų107102.4 Ų102.456%0.5647%0.469SS*.SBendtrans-78.9124.1175.3-62.2172.4000108.3N68 L69 D73 N74 F75N68-L71 PolarHBondContact O-N 3.19Å; L69-L71 PolarHBondContact O-N 2.83Å; L71-D73 PolarHBondContact O-N 2.78Å; L71-N74 HydrophobicContact CB-CB 4.23Å; L71-N74 PolarHBondContact O-N 2.91Å; L71-N74 VanDerWaalsContact O-N 3.07Å; L71-F75 PolarHBondContact O-N 2.74Å
72Y85.3Confident87.6Confident176 Ų176101 Ų10169%0.6947%0.47SS*.Hα-helixtrans-52.1-43.9-176178.9-94.2000112.3N74 F75 F76Y72-N74 PolarHBondContact O-N 2.81Å; Y72-F75 PolarHBondContact O-N 2.87Å; Y72-F76 WeakPolarHBondContact O-CB 3.41Å; Y72-F76 PolarHBondContact O-N 3.5Å
73D88.3Confident87.9Confident118 Ų118102.5 Ų102.563%0.63148%0.484SS*.Hα-helixtrans-61.9-44.8179.4-60.1-28.6000112L71 F75 F76 E77L71-D73 PolarHBondContact O-N 2.78Å; D73-F75 PolarHBondContact O-N 3.39Å; D73-F76 PolarHBondContact O-N 3.21Å; D73-E77 WeakPolarHBondContact O-CB 3.43Å; D73-E77 WeakPolarHBondContact O-CG 3.48Å; D73-E77 PolarHBondContact O-N 3.2Å
74N88.4Confident88.4Confident64 Ų64102 Ų10234%0.34248%0.479SS..Hα-helixtrans-65.5-39.1177.5-71.1-14.2000112N68 L71 Y72 F78N68-N74 VanDerWaalsContact O-CB 3.27Å; N68-N74 WeakPolarHBondContact O-CB 3.26Å; N68-N74 PolarHBondContact O-ND2 3.04Å; L71-N74 HydrophobicContact CB-CB 4.23Å; L71-N74 PolarHBondContact O-N 2.91Å; L71-N74 VanDerWaalsContact O-N 3.07Å; Y72-N74 PolarHBondContact O-N 2.81Å; N74-F78 VanDerWaalsContact O-CB 3.31Å; N74-F78 WeakPolarHBondContact O-CB 3.44Å; N74-F78 PolarHBondContact O-N 2.8Å
75F88Confident88.6Confident108 Ų10896 Ų9647%0.47446%0.462SS..Hα-helixtrans-64.1-44.5176.3178.3-98.1000111.7L71 Y72 D73 F78 S79L71-F75 PolarHBondContact O-N 2.74Å; Y72-F75 PolarHBondContact O-N 2.87Å; D73-F75 PolarHBondContact O-N 3.39Å; F75-F78 PolarHBondContact O-N 3.38Å; F75-S79 VanDerWaalsContact O-CB 3.27Å; F75-S79 WeakPolarHBondContact O-CB 3.48Å; F75-S79 PolarHBondContact O-N 3.45Å; F75-S79 PolarHBondContact O-OG 3.12Å
76F90.7Very high89Confident108 Ų108101 Ų10147%0.47448%0.482SS..Hα-helixtrans-62.3-46.3177.5-178.2-97.7000111.3Y72 D73 S79 R80Y72-F76 WeakPolarHBondContact O-CB 3.41Å; Y72-F76 PolarHBondContact O-N 3.5Å; D73-F76 PolarHBondContact O-N 3.21Å; F76-S79 PolarHBondContact O-N 3.05Å; F76-R80 WeakPolarHBondContact O-CB 3.37Å; F76-R80 PolarHBondContact O-N 2.84Å
77E89.9Confident89.5Confident84 Ų8498.2 Ų98.239%0.39348%0.477SS..Hα-helixtrans-63-43.7178-74.7-58.3146.700112.9D73 R80 L81D73-E77 WeakPolarHBondContact O-CB 3.43Å; D73-E77 WeakPolarHBondContact O-CG 3.48Å; D73-E77 PolarHBondContact O-N 3.2Å; E77-R80 PolarHBondContact O-N 3.23Å; E77-R80 IonicContact OE1-CZ 2.86Å; E77-R80 VanDerWaalsContact OE1-CZ 3.3Å; E77-R80 IonicContact OE1-NE 3.63Å; E77-R80 IonicContact OE1-NH1 3.42Å; E77-R80 IonicContact OE1-NH2 3.15Å; E77-R80 PolarHBondContact OE1-NH2 3.4Å; E77-R80 IonicContact OE2-CZ 3.14Å; E77-R80 IonicContact OE2-NE 2.91Å; E77-R80 PolarHBondContact OE2-NE 2.9Å; E77-R80 IonicContact OE2-NH2 2.65Å; E77-R80 PolarHBondContact OE2-NH2 3.1Å; E77-L81 WeakPolarHBondContact O-CB 3.49Å; E77-L81 PolarHBondContact O-N 3.49Å
78F88.2Confident89.9Confident89 Ų8993.4 Ų93.439%0.3947%0.465SS..Hα-helixtrans-63.3-44.8174.7-177.6-99.1000111.6L69 N74 F75 R80 L81 V82L69-F78 HydrophobicContact CD2-CB 3.54Å; L69-F78 HydrophobicContact CD2-CD1 3.95Å; L69-F78 HydrophobicContact CD2-CD2 4.46Å; L69-F78 HydrophobicContact CD2-CG 3.74Å; N74-F78 VanDerWaalsContact O-CB 3.31Å; N74-F78 WeakPolarHBondContact O-CB 3.44Å; N74-F78 PolarHBondContact O-N 2.8Å; F75-F78 PolarHBondContact O-N 3.38Å; F78-R80 VanDerWaalsContact C-N 3.3Å; F78-R80 PolarHBondContact O-N 3.28Å; F78-L81 PolarHBondContact O-N 3.14Å; F78-V82 HydrophobicContact CD1-CG2 4.16Å; F78-V82 HydrophobicContact CE1-CG2 3.78Å; F78-V82 HydrophobicContact CE2-CG2 4.46Å; F78-V82 HydrophobicContact CZ-CG2 3.94Å; F78-V82 WeakPolarHBondContact O-CG2 3.5Å; F78-V82 PolarHBondContact O-N 3.28Å
79S89.6Confident90.4Very high44 Ų4493.6 Ų93.631%0.30846%0.463SS..Hα-helixtrans-61.5-40177.2-60.80000111.6F75 F76 V82 A83F75-S79 VanDerWaalsContact O-CB 3.27Å; F75-S79 WeakPolarHBondContact O-CB 3.48Å; F75-S79 PolarHBondContact O-N 3.45Å; F75-S79 PolarHBondContact O-OG 3.12Å; F76-S79 PolarHBondContact O-N 3.05Å; S79-V82 PolarHBondContact O-N 2.92Å; S79-A83 WeakPolarHBondContact O-CB 3.5Å; S79-A83 PolarHBondContact O-N 3.2Å
80R93.1Very high90.9Very high133 Ų13396.6 Ų96.650%0.50247%0.474SS..Hα-helixtrans-63.4-46174.4-176.2172.873164.34.3111.6F76 E77 F78 V82 A83 V84F76-R80 WeakPolarHBondContact O-CB 3.37Å; F76-R80 PolarHBondContact O-N 2.84Å; E77-R80 PolarHBondContact O-N 3.23Å; E77-R80 IonicContact OE1-CZ 2.86Å; E77-R80 VanDerWaalsContact OE1-CZ 3.3Å; E77-R80 IonicContact OE1-NE 3.63Å; E77-R80 IonicContact OE1-NH1 3.42Å; E77-R80 IonicContact OE1-NH2 3.15Å; E77-R80 PolarHBondContact OE1-NH2 3.4Å; E77-R80 IonicContact OE2-CZ 3.14Å; E77-R80 IonicContact OE2-NE 2.91Å; E77-R80 PolarHBondContact OE2-NE 2.9Å; E77-R80 IonicContact OE2-NH2 2.65Å; E77-R80 PolarHBondContact OE2-NH2 3.1Å; F78-R80 VanDerWaalsContact C-N 3.3Å; F78-R80 PolarHBondContact O-N 3.28Å; R80-V82 PolarHBondContact O-N 2.97Å; R80-A83 PolarHBondContact O-N 3.26Å; R80-V84 HydrophobicContact CG-CG2 4.44Å; R80-V84 WeakPolarHBondContact O-CB 3.35Å; R80-V84 VanDerWaalsContact O-CG2 3.29Å; R80-V84 WeakPolarHBondContact O-CG2 3.47Å; R80-V84 PolarHBondContact O-N 2.89Å
81L91.5Very high91.5Very high109 Ų10990.4 Ų90.457%0.57145%0.454SS*.Hα-helixtrans-58.8-46.8176.1177.564.5000111.3E77 F78 V84 T85E77-L81 WeakPolarHBondContact O-CB 3.49Å; E77-L81 PolarHBondContact O-N 3.49Å; F78-L81 PolarHBondContact O-N 3.14Å; L81-V84 PolarHBondContact O-N 3.34Å; L81-T85 WeakPolarHBondContact O-CB 3.18Å; L81-T85 PolarHBondContact O-N 3.13Å; L81-T85 PolarHBondContact O-OG1 2.78Å
82V90.8Very high92Very high57 Ų5785.6 Ų85.635%0.34543%0.429SS..Hα-helixtrans-59.2-52.2176.1171.50000110F78 S79 R80 V84 T85 F86F78-V82 HydrophobicContact CD1-CG2 4.16Å; F78-V82 HydrophobicContact CE1-CG2 3.78Å; F78-V82 HydrophobicContact CE2-CG2 4.46Å; F78-V82 HydrophobicContact CZ-CG2 3.94Å; F78-V82 WeakPolarHBondContact O-CG2 3.5Å; F78-V82 PolarHBondContact O-N 3.28Å; S79-V82 PolarHBondContact O-N 2.92Å; R80-V82 PolarHBondContact O-N 2.97Å; V82-V84 PolarHBondContact O-N 3.02Å; V82-T85 PolarHBondContact O-N 3.39Å; V82-F86 HydrophobicContact CG1-CD2 3.72Å; V82-F86 HydrophobicContact CG1-CE2 3.84Å; V82-F86 VanDerWaalsContact O-CD2 3.31Å; V82-F86 WeakPolarHBondContact O-CD2 3.29Å; V82-F86 PolarHBondContact O-N 3.1Å
83A94.2Very high92.5Very high54 Ų5478.2 Ų78.245%0.44640%0.402SS..Hα-helixtrans-58.1-45.3-179.300000112.8S79 R80 T87S79-A83 WeakPolarHBondContact O-CB 3.5Å; S79-A83 PolarHBondContact O-N 3.2Å; R80-A83 PolarHBondContact O-N 3.26Å; A83-T87 WeakPolarHBondContact O-CB 3.4Å; A83-T87 PolarHBondContact O-N 3.14Å; A83-T87 PolarHBondContact O-OG1 3.49Å
84V94.8Very high92.8Very high77 Ų7774.7 Ų74.747%0.46738%0.383SS..Hα-helixtrans-63.4-45.3177.1170.90000110.8R80 L81 V82 F86 T87 I88R80-V84 HydrophobicContact CG-CG2 4.44Å; R80-V84 WeakPolarHBondContact O-CB 3.35Å; R80-V84 VanDerWaalsContact O-CG2 3.29Å; R80-V84 WeakPolarHBondContact O-CG2 3.47Å; R80-V84 PolarHBondContact O-N 2.89Å; L81-V84 PolarHBondContact O-N 3.34Å; V82-V84 PolarHBondContact O-N 3.02Å; V84-F86 PolarHBondContact O-N 2.85Å; V84-T87 WeakPolarHBondContact O-CB 3.36Å; V84-T87 PolarHBondContact O-N 3.3Å; V84-I88 HydrophobicContact CG1-CD1 3.84Å; V84-I88 HydrophobicContact CG1-CG1 4.44Å; V84-I88 WeakPolarHBondContact O-CG1 3.37Å; V84-I88 PolarHBondContact O-N 3.2Å
85T92.6Very high93.2Very high53 Ų5375.7 Ų75.733%0.32539%0.388SS..Hα-helixtrans-63.1-45.2-178.8-51.20000111.4F47 L81 V82 T87 I88 Y89F47-T85 HydrophobicContact CD2-CG2 3.7Å; F47-T85 HydrophobicContact CE2-CG2 3.6Å; L81-T85 WeakPolarHBondContact O-CB 3.18Å; L81-T85 PolarHBondContact O-N 3.13Å; L81-T85 PolarHBondContact O-OG1 2.78Å; V82-T85 PolarHBondContact O-N 3.39Å; T85-T87 VanDerWaalsContact C-N 3.33Å; T85-T87 PolarHBondContact O-N 3.32Å; T85-I88 PolarHBondContact O-N 2.94Å; T85-Y89 WeakPolarHBondContact O-CB 3.49Å; T85-Y89 PolarHBondContact O-N 3.38Å
86F94.6Very high93.6Very high116 Ų11672 Ų7251%0.50937%0.37SS..Hα-helixtrans-66.9-33.3175.8-85.1-91.5000112.5F47 V82 V84 Y89 F90F47-F86 HydrophobicContact CZ-CD1 4.11Å; F47-F86 AromaticContact CZ-CE1 3.93Å; F47-F86 HydrophobicContact CZ-CE1 3.93Å; F47-F86 HydrophobicContact CZ-CE2 4.35Å; F47-F86 HydrophobicContact CZ-CG 4.41Å; F47-F86 HydrophobicContact CZ-CZ 4.06Å; V82-F86 HydrophobicContact CG1-CD2 3.72Å; V82-F86 HydrophobicContact CG1-CE2 3.84Å; V82-F86 VanDerWaalsContact O-CD2 3.31Å; V82-F86 WeakPolarHBondContact O-CD2 3.29Å; V82-F86 PolarHBondContact O-N 3.1Å; V84-F86 PolarHBondContact O-N 2.85Å; F86-Y89 PolarHBondContact O-N 3.11Å; F86-F90 WeakPolarHBondContact O-CB 3.39Å; F86-F90 PolarHBondContact O-N 3.13Å
87T95.4Very high93.8Very high87 Ų8766.8 Ų66.853%0.53435%0.348SS..Hα-helixtrans-66.3-42.8174.2-58.90000111.4A83 V84 T85 F90 S91A83-T87 WeakPolarHBondContact O-CB 3.4Å; A83-T87 PolarHBondContact O-N 3.14Å; A83-T87 PolarHBondContact O-OG1 3.49Å; V84-T87 WeakPolarHBondContact O-CB 3.36Å; V84-T87 PolarHBondContact O-N 3.3Å; T85-T87 VanDerWaalsContact C-N 3.33Å; T85-T87 PolarHBondContact O-N 3.32Å; T87-F90 PolarHBondContact O-N 3.03Å; T87-S91 VanDerWaalsContact O-CB 3.3Å; T87-S91 WeakPolarHBondContact O-CB 3.48Å; T87-S91 PolarHBondContact O-N 3.21Å; T87-S91 PolarHBondContact O-OG 2.89Å
88I94.1Very high94Very high102 Ų10265 Ų6552%0.52334%0.343SS..Hα-helixtrans-61.9-45.6174.1-68.6166.9000110.1V84 T85 S91 A92V84-I88 HydrophobicContact CG1-CD1 3.84Å; V84-I88 HydrophobicContact CG1-CG1 4.44Å; V84-I88 WeakPolarHBondContact O-CG1 3.37Å; V84-I88 PolarHBondContact O-N 3.2Å; T85-I88 PolarHBondContact O-N 2.94Å; I88-S91 PolarHBondContact O-N 3.29Å; I88-A92 WeakPolarHBondContact O-CB 3.24Å; I88-A92 PolarHBondContact O-N 3.42Å
89Y95.2Very high94.4Very high52 Ų5260.8 Ų60.820%0.20432%0.324CS..Hα-helixtrans-59.9-47.7177.1175.6-109000112.3I44 F47 T85 F86 S91 A92 L93I44-Y89 HydrophobicContact CB-CE2 4.41Å; I44-Y89 HydrophobicContact CG1-CD2 4.47Å; I44-Y89 HydrophobicContact CG1-CE2 4.27Å; I44-Y89 HydrophobicContact CG2-CE2 4.06Å; F47-Y89 HydrophobicContact CB-CD2 3.76Å; F47-Y89 HydrophobicContact CB-CE2 4.37Å; F47-Y89 HydrophobicContact CD1-CD1 4.22Å; F47-Y89 AromaticContact CD1-CD2 3.19Å; F47-Y89 HydrophobicContact CD1-CD2 3.19Å; F47-Y89 HydrophobicContact CD1-CE1 4.43Å; F47-Y89 AromaticContact CD1-CE2 3.44Å; F47-Y89 HydrophobicContact CD1-CE2 3.44Å; F47-Y89 VanDerWaalsContact CD1-CE2 3.44Å; F47-Y89 AromaticContact CD1-CG 3.61Å; F47-Y89 HydrophobicContact CD1-CG 3.61Å; F47-Y89 HydrophobicContact CD2-CD2 4.18Å; F47-Y89 HydrophobicContact CD2-CG 4.16Å; F47-Y89 AromaticContact CE1-CD1 3.9Å; F47-Y89 HydrophobicContact CE1-CD1 3.9Å; F47-Y89 AromaticContact CE1-CD2 3.74Å; F47-Y89 HydrophobicContact CE1-CD2 3.74Å; F47-Y89 HydrophobicContact CE1-CE1 4.14Å; F47-Y89 AromaticContact CE1-CE2 3.97Å; F47-Y89 HydrophobicContact CE1-CE2 3.97Å; F47-Y89 AromaticContact CE1-CG 3.68Å; F47-Y89 HydrophobicContact CE1-CG 3.68Å; F47-Y89 HydrophobicContact CE2-CG 4.23Å; F47-Y89 AromaticContact CG-CD2 3.43Å; F47-Y89 HydrophobicContact CG-CD2 3.43Å; F47-Y89 VanDerWaalsContact CG-CD2 3.43Å; F47-Y89 HydrophobicContact CG-CE2 4.1Å; F47-Y89 AromaticContact CG-CG 3.85Å; F47-Y89 HydrophobicContact CG-CG 3.85Å; F47-Y89 HydrophobicContact CZ-CD1 4.23Å; F47-Y89 HydrophobicContact CZ-CD2 4.42Å; F47-Y89 HydrophobicContact CZ-CG 4Å; T85-Y89 WeakPolarHBondContact O-CB 3.49Å; T85-Y89 PolarHBondContact O-N 3.38Å; F86-Y89 PolarHBondContact O-N 3.11Å; Y89-S91 VanDerWaalsContact C-N 3.35Å; Y89-S91 PolarHBondContact O-N 3.18Å; Y89-A92 WeakPolarHBondContact O-CB 3.49Å; Y89-A92 PolarHBondContact O-N 2.99Å; Y89-L93 HydrophobicContact CD1-CD1 4.14Å; Y89-L93 HydrophobicContact CE1-CD1 3.61Å; Y89-L93 HydrophobicContact CE1-CG 4.32Å; Y89-L93 PolarHBondContact O-N 3.35Å
90F95.6Very high94.7Very high109 Ų10958.7 Ų58.748%0.47831%0.31SS..Hα-helixtrans-63.5-42177.5-175.4-104.4000111.6F86 T87 A92 L93 L94F86-F90 WeakPolarHBondContact O-CB 3.39Å; F86-F90 PolarHBondContact O-N 3.13Å; T87-F90 PolarHBondContact O-N 3.03Å; F90-A92 VanDerWaalsContact C-N 3.31Å; F90-A92 PolarHBondContact O-N 3.1Å; F90-L93 WeakPolarHBondContact O-CB 3.36Å; F90-L93 PolarHBondContact O-N 3.26Å; F90-L93 VanDerWaalsContact O-N 3.15Å; F90-L94 HydrophobicContact CD1-CD1 4.05Å; F90-L94 HydrophobicContact CD1-CG 4.31Å; F90-L94 HydrophobicContact CE1-CD1 3.59Å; F90-L94 HydrophobicContact CE1-CD2 4.31Å; F90-L94 HydrophobicContact CE1-CG 3.99Å; F90-L94 HydrophobicContact CZ-CD1 4.2Å; F90-L94 HydrophobicContact CZ-CD2 4.09Å; F90-L94 HydrophobicContact CZ-CG 4.25Å; F90-L94 WeakPolarHBondContact O-CG 3.35Å; F90-L94 PolarHBondContact O-N 3.18Å
91S96Very high94.7Very high52 Ų5254.8 Ų54.836%0.36430%0.296SS..Hα-helixtrans-60.2-41.9174.4-58.40000111.3T87 I88 Y89 L93 L94 L95T87-S91 VanDerWaalsContact O-CB 3.3Å; T87-S91 WeakPolarHBondContact O-CB 3.48Å; T87-S91 PolarHBondContact O-N 3.21Å; T87-S91 PolarHBondContact O-OG 2.89Å; I88-S91 PolarHBondContact O-N 3.29Å; Y89-S91 VanDerWaalsContact C-N 3.35Å; Y89-S91 PolarHBondContact O-N 3.18Å; S91-L93 PolarHBondContact O-N 3.43Å; S91-L94 PolarHBondContact O-N 2.85Å; S91-L95 WeakPolarHBondContact O-CB 3.4Å; S91-L95 VanDerWaalsContact O-CG 3.24Å; S91-L95 WeakPolarHBondContact O-CG 3.43Å; S91-L95 PolarHBondContact O-N 2.69Å
92A95.7Very high94.8Very high6 Ų654 Ų545%0.0530%0.298CS..Hα-helixtrans-62.4-40.217500000112S40 A43 I44 I88 Y89 F90 L94 L95 R96S40-A92 VanDerWaalsContact CB-O 3.27Å; S40-A92 WeakPolarHBondContact CB-O 3.21Å; A43-A92 HydrophobicContact CB-CB 4.07Å; I44-A92 HydrophobicContact CD1-CB 4.4Å; I44-A92 HydrophobicContact CG1-CB 3.9Å; I88-A92 WeakPolarHBondContact O-CB 3.24Å; I88-A92 PolarHBondContact O-N 3.42Å; Y89-A92 WeakPolarHBondContact O-CB 3.49Å; Y89-A92 PolarHBondContact O-N 2.99Å; F90-A92 VanDerWaalsContact C-N 3.31Å; F90-A92 PolarHBondContact O-N 3.1Å; A92-L94 PolarHBondContact O-N 3.35Å; A92-L95 PolarHBondContact O-N 3.44Å; A92-R96 WeakPolarHBondContact O-CB 3.43Å; A92-R96 PolarHBondContact O-N 3.05Å
93L95.4Very high95Very high21 Ų2152.3 Ų52.311%0.1129%0.288CS..Hα-helixtrans-60-44.4173.4-69.6172000112.1V12 I44 Y89 F90 S91 R96 G97V12-L93 HydrophobicContact CG1-CB 4.28Å; I44-L93 HydrophobicContact CD1-CD2 3.78Å; I44-L93 HydrophobicContact CD1-CG 4.39Å; I44-L93 HydrophobicContact CG1-CD2 4.19Å; Y89-L93 HydrophobicContact CD1-CD1 4.14Å; Y89-L93 HydrophobicContact CE1-CD1 3.61Å; Y89-L93 HydrophobicContact CE1-CG 4.32Å; Y89-L93 PolarHBondContact O-N 3.35Å; F90-L93 WeakPolarHBondContact O-CB 3.36Å; F90-L93 PolarHBondContact O-N 3.26Å; F90-L93 VanDerWaalsContact O-N 3.15Å; S91-L93 PolarHBondContact O-N 3.43Å; L93-R96 WeakPolarHBondContact O-CB 3.35Å; L93-R96 PolarHBondContact O-N 2.9Å; L93-G97 PolarHBondContact O-N 2.92Å
94L96Very high94.9Very high44 Ų4455.4 Ų55.423%0.2329%0.293CS..Hα-helixtrans-65.6-44.1177.7-64-174.1000112W8 W9 V12 F90 S91 A92 R96 G97 T98W8-L94 HydrophobicContact CH2-CD2 3.63Å; W8-L94 HydrophobicContact CZ2-CB 4.46Å; W8-L94 HydrophobicContact CZ2-CD2 4.24Å; W8-L94 HydrophobicContact CZ3-CD2 4.45Å; W9-L94 HydrophobicContact CZ3-CD2 4.2Å; V12-L94 HydrophobicContact CG1-CD2 4.38Å; V12-L94 HydrophobicContact CG2-CD2 4.31Å; F90-L94 HydrophobicContact CD1-CD1 4.05Å; F90-L94 HydrophobicContact CD1-CG 4.31Å; F90-L94 HydrophobicContact CE1-CD1 3.59Å; F90-L94 HydrophobicContact CE1-CD2 4.31Å; F90-L94 HydrophobicContact CE1-CG 3.99Å; F90-L94 HydrophobicContact CZ-CD1 4.2Å; F90-L94 HydrophobicContact CZ-CD2 4.09Å; F90-L94 HydrophobicContact CZ-CG 4.25Å; F90-L94 WeakPolarHBondContact O-CG 3.35Å; F90-L94 PolarHBondContact O-N 3.18Å; S91-L94 PolarHBondContact O-N 2.85Å; A92-L94 PolarHBondContact O-N 3.35Å; L94-R96 VanDerWaalsContact C-N 3.34Å; L94-R96 PolarHBondContact O-N 2.85Å; L94-G97 PolarHBondContact O-N 3.31Å; L94-T98 PolarHBondContact O-N 3.19Å; L94-T98 PolarHBondContact O-OG1 3Å
95L95.9Very high94.8Very high85 Ų8554.1 Ų54.145%0.44529%0.285SS..Hα-helixtrans-62.9-41.4176.7-67.7169.7000111.1L36 S91 A92 G97 T98 G99L36-L95 HydrophobicContact CD1-CB 4.07Å; L36-L95 HydrophobicContact CD1-CD2 3.93Å; L36-L95 HydrophobicContact CD1-CG 4.44Å; L36-L95 WeakPolarHBondContact CD2-O 3.31Å; L36-L95 HydrophobicContact CG-CB 4.3Å; L36-L95 WeakPolarHBondContact CG-O 3.48Å; S91-L95 WeakPolarHBondContact O-CB 3.4Å; S91-L95 VanDerWaalsContact O-CG 3.24Å; S91-L95 WeakPolarHBondContact O-CG 3.43Å; S91-L95 PolarHBondContact O-N 2.69Å; A92-L95 PolarHBondContact O-N 3.44Å; L95-G97 VanDerWaalsContact C-N 3.34Å; L95-G97 PolarHBondContact O-N 2.96Å; L95-T98 PolarHBondContact O-N 3.09Å; L95-G99 PolarHBondContact O-N 3.4Å
96R95.6Very high94.8Very high29 Ų2951.6 Ų51.611%0.10927%0.269CS..Hα-helixtrans-56.8-48.8171.8-177.3-176.569.9179.31.8111.2V12 E37 S40 N41 I44 A92 L93 L94 T98 G99 R100V12-R96 PolarHBondContact O-NH2 3.33Å; E37-R96 HydrophobicContact CG-CG 4.41Å; S40-R96 WeakPolarHBondContact OG-CA 3.3Å; S40-R96 VanDerWaalsContact OG-CB 3.29Å; S40-R96 WeakPolarHBondContact OG-CB 3.39Å; S40-R96 PolarHBondContact OG-N 3.27Å; N41-R96 WeakPolarHBondContact OD1-CD 3.37Å; I44-R96 HydrophobicContact CD1-CB 4.1Å; A92-R96 WeakPolarHBondContact O-CB 3.43Å; A92-R96 PolarHBondContact O-N 3.05Å; L93-R96 WeakPolarHBondContact O-CB 3.35Å; L93-R96 PolarHBondContact O-N 2.9Å; L94-R96 VanDerWaalsContact C-N 3.34Å; L94-R96 PolarHBondContact O-N 2.85Å; R96-T98 VanDerWaalsContact C-N 3.35Å; R96-T98 PolarHBondContact O-N 3.41Å; R96-G99 PolarHBondContact O-N 2.86Å; R96-R100 WeakPolarHBondContact O-CB 3.26Å; R96-R100 WeakPolarHBondContact O-CG 3.47Å; R96-R100 PolarHBondContact O-N 3.31Å
97G95.1Very high94.7Very high0 Ų049.4 Ų49.40%026%0.261CS..Hα-helixtrans-61.2-41.4178.800000113L93 L94 L95 R100 F101L93-G97 PolarHBondContact O-N 2.92Å; L94-G97 PolarHBondContact O-N 3.31Å; L95-G97 VanDerWaalsContact C-N 3.34Å; L95-G97 PolarHBondContact O-N 2.96Å; G97-R100 PolarHBondContact O-N 3.02Å; G97-F101 VanDerWaalsContact O-CB 3.24Å; G97-F101 WeakPolarHBondContact O-CB 3.38Å; G97-F101 PolarHBondContact O-N 2.84Å
98T95.3Very high94.5Very high47 Ų4749.9 Ų49.929%0.28826%0.257SS..Hα-helixtrans-65.1-43.3173.6-60.10000111.9W8 L36 L94 L95 R96 R100 F101 C102W8-T98 PolarHBondContact NE1-OG1 3.46Å; L36-T98 HydrophobicContact CD2-CG2 3.93Å; L94-T98 PolarHBondContact O-N 3.19Å; L94-T98 PolarHBondContact O-OG1 3Å; L95-T98 PolarHBondContact O-N 3.09Å; R96-T98 VanDerWaalsContact C-N 3.35Å; R96-T98 PolarHBondContact O-N 3.41Å; T98-R100 PolarHBondContact O-N 2.99Å; T98-F101 PolarHBondContact O-N 2.98Å; T98-C102 PolarHBondContact O-N 3.39Å; T98-C102 PolarHBondContact O-SG 2.98Å; T98-C102 VanDerWaalsContact O-SG 3.33Å
99G95.5Very high94.5Very high0 Ų045 Ų450%023%0.232CC..Hα-helixtrans-57.9-48.8175.600000111.3N34 L95 R96 C102 N103N34-G99 PolarHBondContact ND2-O 3.21Å; N34-G99 WeakPolarHBondContact OD1-CA 3.29Å; L95-G99 PolarHBondContact O-N 3.4Å; R96-G99 PolarHBondContact O-N 2.86Å; G99-C102 PolarHBondContact O-N 2.86Å; G99-N103 PolarHBondContact O-N 2.84Å
100R96Very high94.4Very high0 Ų042.7 Ų42.70%022%0.223CC..Hα-helixtrans-61.6-42.8174.8-77172.4174.6-169.1-2.3113C11 G14 P15 S16 E37 R96 G97 T98 C102 N103 Y106C11-R100 HydrophobicContact CB-CB 3.94Å; C11-R100 VanDerWaalsContact O-CD 3.31Å; C11-R100 WeakPolarHBondContact O-CD 3.34Å; G14-R100 PolarHBondContact O-NH1 2.9Å; P15-R100 PolarHBondContact O-NH1 3.41Å; S16-R100 PolarHBondContact OG-NH2 2.88Å; E37-R100 VanDerWaalsContact CD-CG 3.44Å; E37-R100 HydrophobicContact CG-CG 4.3Å; E37-R100 WeakPolarHBondContact OE1-CG 3.3Å; E37-R100 IonicContact OE1-CZ 3.79Å; E37-R100 IonicContact OE1-NE 3.99Å; E37-R100 PolarHBondContact OE1-NE 3.49Å; E37-R100 IonicContact OE1-NH2 2.78Å; E37-R100 WeakPolarHBondContact OE2-CG 3.39Å; R96-R100 WeakPolarHBondContact O-CB 3.26Å; R96-R100 WeakPolarHBondContact O-CG 3.47Å; R96-R100 PolarHBondContact O-N 3.31Å; G97-R100 PolarHBondContact O-N 3.02Å; T98-R100 PolarHBondContact O-N 2.99Å; R100-C102 VanDerWaalsContact C-N 3.28Å; R100-C102 PolarHBondContact O-N 2.86Å; R100-N103 PolarHBondContact O-N 3.48Å; R100-N103 VanDerWaalsContact O-N 3.13Å; R100-Y106 HydrophobicContact CB-CD1 3.58Å; R100-Y106 HydrophobicContact CB-CD2 4.46Å; R100-Y106 HydrophobicContact CB-CE1 3.64Å; R100-Y106 HydrophobicContact CB-CG 4.01Å; R100-Y106 HydrophobicContact CG-CD1 4.06Å; R100-Y106 HydrophobicContact CG-CD2 4.07Å; R100-Y106 HydrophobicContact CG-CE1 3.94Å; R100-Y106 HydrophobicContact CG-CE2 3.97Å; R100-Y106 HydrophobicContact CG-CG 4.12Å; R100-Y106 PolarHBondContact NH1-OH 3.47Å
101F94Very high94.2Very high51 Ų5140.4 Ų40.422%0.22422%0.224CC..Hα-helixtrans-64.1-32.5177.3-178.4-97.3000112.3T4 V7 W8 C11 G97 T98 N103 Q107T4-F101 HydrophobicContact CG2-CE2 4.35Å; T4-F101 HydrophobicContact CG2-CZ 3.79Å; V7-F101 HydrophobicContact CB-CE2 4.47Å; V7-F101 HydrophobicContact CG1-CD2 4.23Å; V7-F101 HydrophobicContact CG1-CE2 4.02Å; W8-F101 HydrophobicContact CB-CD2 3.88Å; W8-F101 HydrophobicContact CB-CE2 4.18Å; W8-F101 HydrophobicContact CB-CG 4.26Å; W8-F101 AromaticContact CD1-CG 3.77Å; W8-F101 HydrophobicContact CG-CG 4.44Å; C11-F101 HydrophobicContact CB-CB 4.42Å; G97-F101 VanDerWaalsContact O-CB 3.24Å; G97-F101 WeakPolarHBondContact O-CB 3.38Å; G97-F101 PolarHBondContact O-N 2.84Å; T98-F101 PolarHBondContact O-N 2.98Å; F101-N103 VanDerWaalsContact C-N 3.32Å; F101-Q107 VanDerWaalsContact O-CD 3.3Å; F101-Q107 WeakPolarHBondContact O-CG 3.35Å; F101-Q107 PolarHBondContact O-NE2 2.95Å
102C93.6Very high93.9Very high91 Ų9138.9 Ų38.962%0.61521%0.212SC*.THydrogen-bonded Turntrans-82.5-6.2175.8-65.80000113.8T98 G99 R100T98-C102 PolarHBondContact O-N 3.39Å; T98-C102 PolarHBondContact O-SG 2.98Å; T98-C102 VanDerWaalsContact O-SG 3.33Å; G99-C102 PolarHBondContact O-N 2.86Å; R100-C102 VanDerWaalsContact C-N 3.28Å; R100-C102 PolarHBondContact O-N 2.86Å
103N93.9Very high93.7Very high22 Ų2239 Ų3912%0.11821%0.211CC..  trans-94.2112.2177.8-170.2-32.8000110.3Y31 N32 G99 R100 F101 T105 Y106 Q107Y31-N103 VanDerWaalsContact CE2-ND2 3.33Å; Y31-N103 WeakPolarHBondContact CE2-ND2 3.28Å; Y31-N103 PolarHBondContact OH-ND2 3.45Å; N32-N103 PolarHBondContact O-ND2 2.92Å; G99-N103 PolarHBondContact O-N 2.84Å; R100-N103 PolarHBondContact O-N 3.48Å; R100-N103 VanDerWaalsContact O-N 3.13Å; F101-N103 VanDerWaalsContact C-N 3.32Å; N103-T105 VanDerWaalsContact C-N 3.33Å; N103-T105 PolarHBondContact O-N 3.13Å; N103-T105 WeakPolarHBondContact OD1-CB 3.25Å; N103-T105 PolarHBondContact OD1-N 3.29Å; N103-T105 VanDerWaalsContact OD1-N 3.11Å; N103-Y106 PolarHBondContact O-N 2.77Å; N103-Y106 VanDerWaalsContact O-N 3.12Å; N103-Q107 PolarHBondContact O-N 3.17Å
104H92.1Very high93.4Very high119 Ų11940.2 Ų40.255%0.55122%0.218SC*.Hα-helixtrans-56.8-44.1-178.3-171.3-90000112.8Y106 Q107 E108H104-Y106 VanDerWaalsContact C-N 3.27Å; H104-Y106 PolarHBondContact O-N 3.16Å; H104-Q107 WeakPolarHBondContact O-CB 3.47Å; H104-Q107 PolarHBondContact O-N 3.25Å; H104-Q107 VanDerWaalsContact O-N 3.1Å; H104-E108 IonicContact CE1-OE1 2.72Å; H104-E108 PolarHBondContact CE1-OE1 3.38Å; H104-E108 IonicContact ND1-OE1 3.32Å; H104-E108 PolarHBondContact ND1-OE1 3.41Å; H104-E108 PolarHBondContact O-N 3.41Å
105T92.3Very high93.1Very high50 Ų5043.4 Ų43.431%0.30723%0.231SC..Hα-helixtrans-61.5-38.2179-50.70000111.6V20 N103 F109V20-T105 HydrophobicContact CB-CG2 4.11Å; V20-T105 HydrophobicContact CG1-CG2 3.67Å; V20-T105 HydrophobicContact CG2-CG2 4.13Å; N103-T105 VanDerWaalsContact C-N 3.33Å; N103-T105 PolarHBondContact O-N 3.13Å; N103-T105 WeakPolarHBondContact OD1-CB 3.25Å; N103-T105 PolarHBondContact OD1-N 3.29Å; N103-T105 VanDerWaalsContact OD1-N 3.11Å; T105-F109 PolarHBondContact O-N 3.19Å; T105-F109 VanDerWaalsContact O-N 3.16Å
106Y94.3Very high92.7Very high0 Ų039.3 Ų39.30%021%0.21CC..Hα-helixtrans-71.7-36175.7-168.3-85.3000112C11 P15 L17 R100 N103 H104 F109 M110C11-Y106 HydrophobicContact CB-CE1 4.11Å; P15-Y106 WeakPolarHBondContact O-CE2 3.4Å; P15-Y106 PolarHBondContact O-OH 3.34Å; L17-Y106 HydrophobicContact CB-CD2 4.04Å; L17-Y106 HydrophobicContact CB-CE2 4.04Å; L17-Y106 HydrophobicContact CD2-CD2 4.05Å; R100-Y106 HydrophobicContact CB-CD1 3.58Å; R100-Y106 HydrophobicContact CB-CD2 4.46Å; R100-Y106 HydrophobicContact CB-CE1 3.64Å; R100-Y106 HydrophobicContact CB-CG 4.01Å; R100-Y106 HydrophobicContact CG-CD1 4.06Å; R100-Y106 HydrophobicContact CG-CD2 4.07Å; R100-Y106 HydrophobicContact CG-CE1 3.94Å; R100-Y106 HydrophobicContact CG-CE2 3.97Å; R100-Y106 HydrophobicContact CG-CG 4.12Å; R100-Y106 PolarHBondContact NH1-OH 3.47Å; N103-Y106 PolarHBondContact O-N 2.77Å; N103-Y106 VanDerWaalsContact O-N 3.12Å; H104-Y106 VanDerWaalsContact C-N 3.27Å; H104-Y106 PolarHBondContact O-N 3.16Å; Y106-F109 HydrophobicContact CD2-CD1 4.26Å; Y106-F109 HydrophobicContact CE2-CD1 4.12Å; Y106-F109 HydrophobicContact CE2-CE1 4.27Å; Y106-F109 PolarHBondContact O-N 2.88Å; Y106-M110 HydrophobicContact CD1-CB 4.34Å; Y106-M110 HydrophobicContact CE1-CB 4.23Å; Y106-M110 HydrophobicContact CE1-CE 3.44Å; Y106-M110 VanDerWaalsContact CE1-CE 3.44Å; Y106-M110 WeakPolarHBondContact O-CB 3.37Å; Y106-M110 PolarHBondContact O-N 3.29Å; Y106-M110 VanDerWaalsContact OH-CE 3.24Å; Y106-M110 WeakPolarHBondContact OH-CE 3.32Å
107Q92.6Very high92.2Very high71 Ų7143.3 Ų43.333%0.33223%0.228SC..Hα-helixtrans-61.4-44.7175-71.8-172.7-23.400112F101 N103 H104 M110 A111F101-Q107 VanDerWaalsContact O-CD 3.3Å; F101-Q107 WeakPolarHBondContact O-CG 3.35Å; F101-Q107 PolarHBondContact O-NE2 2.95Å; N103-Q107 PolarHBondContact O-N 3.17Å; H104-Q107 WeakPolarHBondContact O-CB 3.47Å; H104-Q107 PolarHBondContact O-N 3.25Å; H104-Q107 VanDerWaalsContact O-N 3.1Å; Q107-M110 PolarHBondContact O-N 2.9Å; Q107-A111 WeakPolarHBondContact O-CB 3.38Å; Q107-A111 PolarHBondContact O-N 2.9Å
108E91.4Very high91.8Very high96 Ų9651.6 Ų51.645%0.44926%0.264SS..Hα-helixtrans-60-49.8175.7-70.8178.4157.300111.3H104 M110 A111 L112H104-E108 IonicContact CE1-OE1 2.72Å; H104-E108 PolarHBondContact CE1-OE1 3.38Å; H104-E108 IonicContact ND1-OE1 3.32Å; H104-E108 PolarHBondContact ND1-OE1 3.41Å; H104-E108 PolarHBondContact O-N 3.41Å; E108-M110 VanDerWaalsContact C-N 3.34Å; E108-M110 PolarHBondContact O-N 3.43Å; E108-A111 PolarHBondContact O-N 3.45Å; E108-L112 PolarHBondContact O-N 3.36Å; E108-L112 VanDerWaalsContact O-N 3.08Å
109F93.2Very high91Very high0 Ų053.8 Ų53.80%028%0.277CS..Hα-helixtrans-56.3-47.5174.7162.3-107.5000111.8P15 L17 T105 Y106 A111 L112 F113 L128 Y131 F133P15-F109 HydrophobicContact CB-CE1 3.94Å; P15-F109 HydrophobicContact CB-CZ 3.84Å; P15-F109 HydrophobicContact CG-CE1 4.11Å; P15-F109 HydrophobicContact CG-CZ 3.97Å; L17-F109 HydrophobicContact CB-CD1 4.38Å; L17-F109 HydrophobicContact CB-CE1 4.42Å; L17-F109 HydrophobicContact CD1-CD1 4.24Å; L17-F109 HydrophobicContact CD1-CD2 4Å; L17-F109 HydrophobicContact CD1-CE1 4.42Å; L17-F109 HydrophobicContact CD1-CE2 4.21Å; L17-F109 HydrophobicContact CD1-CG 4.02Å; L17-F109 HydrophobicContact CD1-CZ 4.4Å; L17-F109 HydrophobicContact CD2-CB 3.98Å; L17-F109 HydrophobicContact CD2-CD1 3.98Å; L17-F109 HydrophobicContact CD2-CG 3.95Å; L17-F109 HydrophobicContact CG-CD1 4.45Å; T105-F109 PolarHBondContact O-N 3.19Å; T105-F109 VanDerWaalsContact O-N 3.16Å; Y106-F109 HydrophobicContact CD2-CD1 4.26Å; Y106-F109 HydrophobicContact CE2-CD1 4.12Å; Y106-F109 HydrophobicContact CE2-CE1 4.27Å; Y106-F109 PolarHBondContact O-N 2.88Å; F109-A111 PolarHBondContact O-N 3.08Å; F109-L112 PolarHBondContact O-N 3.14Å; F109-F113 HydrophobicContact CE2-CB 4.28Å; F109-F113 HydrophobicContact CZ-CB 4.25Å; F109-F113 HydrophobicContact CZ-CD2 4.46Å; F109-F113 HydrophobicContact CZ-CG 4.4Å; F109-F113 VanDerWaalsContact O-CB 3.32Å; F109-F113 WeakPolarHBondContact O-CB 3.48Å; F109-F113 PolarHBondContact O-N 3.2Å; F109-L128 HydrophobicContact CD2-CD1 4.41Å; F109-L128 HydrophobicContact CE2-CD1 3.97Å; F109-Y131 HydrophobicContact CB-CD1 4.07Å; F109-Y131 HydrophobicContact CB-CE1 3.87Å; F109-Y131 AromaticContact CD2-CD1 3.78Å; F109-Y131 HydrophobicContact CD2-CD1 3.78Å; F109-Y131 HydrophobicContact CD2-CD2 4.44Å; F109-Y131 HydrophobicContact CD2-CE1 4.34Å; F109-Y131 AromaticContact CD2-CG 3.83Å; F109-Y131 HydrophobicContact CD2-CG 3.83Å; F109-Y131 HydrophobicContact CG-CD1 4.26Å; F109-F133 HydrophobicContact CD2-CD1 4.45Å; F109-F133 HydrophobicContact CE2-CB 4.27Å; F109-F133 AromaticContact CE2-CD1 3.33Å; F109-F133 HydrophobicContact CE2-CD1 3.33Å; F109-F133 HydrophobicContact CE2-CD2 4.49Å; F109-F133 AromaticContact CE2-CE1 3.65Å; F109-F133 HydrophobicContact CE2-CE1 3.65Å; F109-F133 AromaticContact CE2-CG 3.78Å; F109-F133 HydrophobicContact CE2-CG 3.78Å; F109-F133 HydrophobicContact CE2-CZ 4.34Å; F109-F133 HydrophobicContact CZ-CB 3.84Å; F109-F133 AromaticContact CZ-CD1 3.64Å; F109-F133 HydrophobicContact CZ-CD1 3.64Å; F109-F133 HydrophobicContact CZ-CD2 4.02Å; F109-F133 HydrophobicContact CZ-CE1 4.14Å; F109-F133 HydrophobicContact CZ-CE2 4.48Å; F109-F133 AromaticContact CZ-CG 3.55Å; F109-F133 HydrophobicContact CZ-CG 3.55Å
110M92.8Very high90.1Very high4 Ų457.5 Ų57.52%0.0230%0.297CS..Hα-helixtrans-65.2-39.4-177.9-17856.264.200111.7Y106 Q107 E108 F113 L114Y106-M110 HydrophobicContact CD1-CB 4.34Å; Y106-M110 HydrophobicContact CE1-CB 4.23Å; Y106-M110 HydrophobicContact CE1-CE 3.44Å; Y106-M110 VanDerWaalsContact CE1-CE 3.44Å; Y106-M110 WeakPolarHBondContact O-CB 3.37Å; Y106-M110 PolarHBondContact O-N 3.29Å; Y106-M110 VanDerWaalsContact OH-CE 3.24Å; Y106-M110 WeakPolarHBondContact OH-CE 3.32Å; Q107-M110 PolarHBondContact O-N 2.9Å; E108-M110 VanDerWaalsContact C-N 3.34Å; E108-M110 PolarHBondContact O-N 3.43Å; M110-F113 PolarHBondContact O-N 3.08Å; M110-F113 HydrophobicContact SD-CD1 4.2Å; M110-L114 HydrophobicContact CG-CD1 4.04Å; M110-L114 HydrophobicContact CG-CG 4.35Å; M110-L114 WeakPolarHBondContact O-CB 3.32Å; M110-L114 VanDerWaalsContact O-CG 3.27Å; M110-L114 WeakPolarHBondContact O-CG 3.35Å; M110-L114 PolarHBondContact O-N 2.99Å; M110-L114 HydrophobicContact SD-CD1 4.06Å; M110-L114 HydrophobicContact SD-CD2 4.36Å; M110-L114 HydrophobicContact SD-CG 3.87Å
111A90.9Very high89.4Confident60 Ų6061.1 Ų61.150%0.49632%0.316SS..Hα-helixtrans-60.5-49.2175.300000110.8Q107 E108 F109 F113 L114 E115Q107-A111 WeakPolarHBondContact O-CB 3.38Å; Q107-A111 PolarHBondContact O-N 2.9Å; E108-A111 PolarHBondContact O-N 3.45Å; F109-A111 PolarHBondContact O-N 3.08Å; A111-F113 PolarHBondContact O-N 3.4Å; A111-L114 PolarHBondContact O-N 3.11Å; A111-E115 WeakPolarHBondContact O-CB 3.22Å; A111-E115 PolarHBondContact O-N 3.38Å
112L90.6Very high88.7Confident20 Ų2065.4 Ų65.411%0.10534%0.337CS..Hα-helixtrans-61.2-43.5176.3179.264.1000112.1E108 F109 E115 S116 K127 L128 Y131E108-L112 PolarHBondContact O-N 3.36Å; E108-L112 VanDerWaalsContact O-N 3.08Å; F109-L112 PolarHBondContact O-N 3.14Å; L112-E115 PolarHBondContact O-N 2.75Å; L112-S116 WeakPolarHBondContact O-CB 3.39Å; L112-S116 PolarHBondContact O-N 2.71Å; L112-S116 PolarHBondContact O-OG 2.95Å; L112-K127 HydrophobicContact CD1-CB 4.1Å; L112-K127 HydrophobicContact CD2-CB 3.74Å; L112-L128 HydrophobicContact CD2-CB 4.3Å; L112-L128 HydrophobicContact CD2-CD1 4.32Å; L112-L128 HydrophobicContact CG-CD1 4.32Å; L112-Y131 HydrophobicContact CD2-CD2 4.05Å; L112-Y131 HydrophobicContact CD2-CE2 3.66Å
113F90.8Very high88.3Confident8 Ų866 Ų664%0.03533%0.331CS..Hα-helixtrans-62.5-47178.5179.1-107.3000111.8P15 F109 M110 A111 E115 S116 K117 L128 F133P15-F113 HydrophobicContact CG-CD1 3.76Å; P15-F113 HydrophobicContact CG-CD2 4.17Å; P15-F113 HydrophobicContact CG-CE1 3.39Å; P15-F113 HydrophobicContact CG-CE2 3.84Å; P15-F113 HydrophobicContact CG-CG 4.12Å; P15-F113 HydrophobicContact CG-CZ 3.4Å; P15-F113 VanDerWaalsContact CG-CZ 3.4Å; F109-F113 HydrophobicContact CE2-CB 4.28Å; F109-F113 HydrophobicContact CZ-CB 4.25Å; F109-F113 HydrophobicContact CZ-CD2 4.46Å; F109-F113 HydrophobicContact CZ-CG 4.4Å; F109-F113 VanDerWaalsContact O-CB 3.32Å; F109-F113 WeakPolarHBondContact O-CB 3.48Å; F109-F113 PolarHBondContact O-N 3.2Å; M110-F113 PolarHBondContact O-N 3.08Å; M110-F113 HydrophobicContact SD-CD1 4.2Å; A111-F113 PolarHBondContact O-N 3.4Å; F113-E115 VanDerWaalsContact C-N 3.32Å; F113-E115 PolarHBondContact O-N 3.08Å; F113-S116 PolarHBondContact O-N 2.92Å; F113-S116 PolarHBondContact O-OG 3.22Å; F113-K117 HydrophobicContact CE1-CD 4.04Å; F113-K117 HydrophobicContact CZ-CD 4.07Å; F113-K117 PolarHBondContact O-N 2.94Å; F113-L128 HydrophobicContact CB-CD1 4.37Å; F113-L128 HydrophobicContact CD2-CD1 4.34Å; F113-L128 HydrophobicContact CD2-CD2 4.48Å; F113-F133 AromaticContact CD2-CE2 3.94Å; F113-F133 HydrophobicContact CD2-CE2 3.94Å; F113-F133 AromaticContact CD2-CZ 3.88Å; F113-F133 HydrophobicContact CD2-CZ 3.88Å; F113-F133 AromaticContact CE2-CE2 3.61Å; F113-F133 HydrophobicContact CE2-CE2 3.61Å; F113-F133 AromaticContact CE2-CZ 3.95Å; F113-F133 HydrophobicContact CE2-CZ 3.95Å
114L89.8Confident88Confident48 Ų4865.4 Ų65.425%0.25133%0.327SS..Hα-helixtrans-66.5-34.5177.5-69.9175.3000112.4M110 A111 K118M110-L114 HydrophobicContact CG-CD1 4.04Å; M110-L114 HydrophobicContact CG-CG 4.35Å; M110-L114 WeakPolarHBondContact O-CB 3.32Å; M110-L114 VanDerWaalsContact O-CG 3.27Å; M110-L114 WeakPolarHBondContact O-CG 3.35Å; M110-L114 PolarHBondContact O-N 2.99Å; M110-L114 HydrophobicContact SD-CD1 4.06Å; M110-L114 HydrophobicContact SD-CD2 4.36Å; M110-L114 HydrophobicContact SD-CG 3.87Å; A111-L114 PolarHBondContact O-N 3.11Å; L114-K118 WeakPolarHBondContact O-CG 3.3Å; L114-K118 PolarHBondContact O-N 2.75Å
115E89.6Confident87.6Confident110 Ų11060.1 Ų60.151%0.51430%0.304SS..Hα-helixtrans-64.9-48173.7-175.6172.7-172.200111.3A111 L112 F113 K117 K118 T119 T124A111-E115 WeakPolarHBondContact O-CB 3.22Å; A111-E115 PolarHBondContact O-N 3.38Å; L112-E115 PolarHBondContact O-N 2.75Å; F113-E115 VanDerWaalsContact C-N 3.32Å; F113-E115 PolarHBondContact O-N 3.08Å; E115-K117 PolarHBondContact O-N 3.26Å; E115-K118 PolarHBondContact O-N 2.97Å; E115-T119 PolarHBondContact O-N 2.94Å; E115-T124 HydrophobicContact CG-CG2 4.31Å
116S87.9Confident87.3Confident0 Ų061.2 Ų61.20%031%0.308CS..Hα-helixtrans-60.8-28.2179.474.10000113.6L112 F113 P138L112-S116 WeakPolarHBondContact O-CB 3.39Å; L112-S116 PolarHBondContact O-N 2.71Å; L112-S116 PolarHBondContact O-OG 2.95Å; F113-S116 PolarHBondContact O-N 2.92Å; F113-S116 PolarHBondContact O-OG 3.22Å; S116-P138 WeakPolarHBondContact OG-CG 3.43Å
117K85.5Confident86.9Confident112 Ų11265.9 Ų65.949%0.48733%0.328SS..Hα-helixtrans-76.8-25.4174.6-79.2-167.7167.7-177.40113.6F113 E115 P138F113-K117 HydrophobicContact CE1-CD 4.04Å; F113-K117 HydrophobicContact CZ-CD 4.07Å; F113-K117 PolarHBondContact O-N 2.94Å; E115-K117 PolarHBondContact O-N 3.26Å; K117-P138 HydrophobicContact CG-CG 4.49Å
118K85.5Confident86.8Confident175 Ų17562.5 Ų62.576%0.76131%0.312SS*.Hα-helixtrans-84.4-45.9179.6-71.8175.8-178.9-178.90111.5L114 E115L114-K118 WeakPolarHBondContact O-CG 3.3Å; L114-K118 PolarHBondContact O-N 2.75Å; E115-K118 PolarHBondContact O-N 2.97Å
119T79.5Confident86.5Confident92 Ų9259.7 Ų59.756%0.56430%0.301SS*.SBendtrans-134.7123-178.6-47.60000108.5E115 N121E115-T119 PolarHBondContact O-N 2.94Å; T119-N121 PolarHBondContact O-N 3.38Å
120I75.3Confident86.1Confident78 Ų7863.3 Ų63.340%0.432%0.321SS..  trans-86.897.9176.6-59.7169.3000107.2V125 V139I120-V125 HydrophobicContact CG2-CG2 4.18Å; I120-V139 WeakPolarHBondContact CD1-O 3.34Å
121N81.9Confident85.8Confident77 Ų7764.6 Ų64.641%0.41233%0.326SS..  trans-108.2135.5170.4178.71.6000108.6T119 E123 T124 V125T119-N121 PolarHBondContact O-N 3.38Å; N121-E123 PolarHBondContact O-N 2.77Å; N121-E123 PolarHBondContact OD1-N 2.8Å; N121-E123 VanDerWaalsContact OD1-N 3.13Å; N121-T124 HydrophobicContact CB-CG2 4.11Å; N121-T124 PolarHBondContact N-OG1 2.78Å; N121-T124 PolarHBondContact O-N 2.83Å; N121-T124 PolarHBondContact O-OG1 3.49Å; N121-V125 WeakPolarHBondContact O-CG2 3.42Å; N121-V125 PolarHBondContact O-N 2.96Å
122E80.2Confident85.5Confident141 Ų14162.8 Ų62.866%0.65931%0.308SS*.Hα-helixtrans-52.5-38176.1-168.6175.8178.600111.7V125 N126E122-V125 PolarHBondContact O-N 3.32Å; E122-N126 VanDerWaalsContact O-CB 3.31Å; E122-N126 WeakPolarHBondContact O-CB 3.43Å; E122-N126 PolarHBondContact O-N 3.49Å; E122-N126 PolarHBondContact O-ND2 3.38Å
123E85.2Confident85.4Confident104 Ų10461.9 Ų61.949%0.48630%0.303SS..Hα-helixtrans-63.8-45.1175.9-168.8-170.6163.100112.5N121 V125 N126 K127N121-E123 PolarHBondContact O-N 2.77Å; N121-E123 PolarHBondContact OD1-N 2.8Å; N121-E123 VanDerWaalsContact OD1-N 3.13Å; E123-V125 VanDerWaalsContact C-N 3.33Å; E123-V125 PolarHBondContact O-N 2.97Å; E123-N126 PolarHBondContact O-N 2.92Å; E123-K127 WeakPolarHBondContact O-CG 3.39Å; E123-K127 PolarHBondContact O-N 3.3Å; E123-K127 VanDerWaalsContact OE1-CE 3.29Å; E123-K127 WeakPolarHBondContact OE1-CE 3.46Å; E123-K127 IonicContact OE1-NZ 2.98Å; E123-K127 PolarHBondContact OE1-NZ 3.31Å
124T86.1Confident85.1Confident8 Ų862.9 Ų62.95%0.04931%0.311CS..Hα-helixtrans-65.6-38.8178.757.70000111.6E115 N121 K127 L128E115-T124 HydrophobicContact CG-CG2 4.31Å; N121-T124 HydrophobicContact CB-CG2 4.11Å; N121-T124 PolarHBondContact N-OG1 2.78Å; N121-T124 PolarHBondContact O-N 2.83Å; N121-T124 PolarHBondContact O-OG1 3.49Å; T124-K127 PolarHBondContact O-N 2.66Å; T124-L128 VanDerWaalsContact O-CB 3.27Å; T124-L128 WeakPolarHBondContact O-CB 3.4Å; T124-L128 PolarHBondContact O-N 2.84Å
125V85.3Confident84.9Confident9 Ų961.5 Ų61.56%0.05531%0.306CS..Hα-helixtrans-66.7-45.7176.8173.80000110.1I120 N121 E122 E123 K127 L128 T129I120-V125 HydrophobicContact CG2-CG2 4.18Å; N121-V125 WeakPolarHBondContact O-CG2 3.42Å; N121-V125 PolarHBondContact O-N 2.96Å; E122-V125 PolarHBondContact O-N 3.32Å; E123-V125 VanDerWaalsContact C-N 3.33Å; E123-V125 PolarHBondContact O-N 2.97Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 3.25Å; V125-L128 PolarHBondContact O-N 3.17Å; V125-T129 PolarHBondContact O-N 2.96Å; V125-T129 PolarHBondContact O-OG1 3.28Å
126N84.5Confident84.6Confident73 Ų7358.5 Ų58.539%0.3930%0.296SS..Hα-helixtrans-59.5-42.7177.7-73-21000112E122 E123E122-N126 VanDerWaalsContact O-CB 3.31Å; E122-N126 WeakPolarHBondContact O-CB 3.43Å; E122-N126 PolarHBondContact O-N 3.49Å; E122-N126 PolarHBondContact O-ND2 3.38Å; E123-N126 PolarHBondContact O-N 2.92Å
127K87.4Confident84.6Confident98 Ų9858.8 Ų58.843%0.42630%0.297SS..Hα-helixtrans-63.9-42.1173.2-70.3175.6-173.2168.70111.7L112 E123 T124 V125 L130 Y131L112-K127 HydrophobicContact CD1-CB 4.1Å; L112-K127 HydrophobicContact CD2-CB 3.74Å; E123-K127 WeakPolarHBondContact O-CG 3.39Å; E123-K127 PolarHBondContact O-N 3.3Å; E123-K127 VanDerWaalsContact OE1-CE 3.29Å; E123-K127 WeakPolarHBondContact OE1-CE 3.46Å; E123-K127 IonicContact OE1-NZ 2.98Å; E123-K127 PolarHBondContact OE1-NZ 3.31Å; T124-K127 PolarHBondContact O-N 2.66Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 3.25Å; K127-L130 WeakPolarHBondContact O-CB 3.42Å; K127-L130 PolarHBondContact O-N 2.67Å; K127-Y131 WeakPolarHBondContact O-CD2 3.26Å
128L88.8Confident84.8Confident0 Ų053.5 Ų53.50%027%0.274CS..Hα-helixtrans-67.1-36-178.3-171.867.3000112.2F109 L112 F113 T124 V125 L130 Y131 F133 W137 P138F109-L128 HydrophobicContact CD2-CD1 4.41Å; F109-L128 HydrophobicContact CE2-CD1 3.97Å; L112-L128 HydrophobicContact CD2-CB 4.3Å; L112-L128 HydrophobicContact CD2-CD1 4.32Å; L112-L128 HydrophobicContact CG-CD1 4.32Å; F113-L128 HydrophobicContact CB-CD1 4.37Å; F113-L128 HydrophobicContact CD2-CD1 4.34Å; F113-L128 HydrophobicContact CD2-CD2 4.48Å; T124-L128 VanDerWaalsContact O-CB 3.27Å; T124-L128 WeakPolarHBondContact O-CB 3.4Å; T124-L128 PolarHBondContact O-N 2.84Å; V125-L128 PolarHBondContact O-N 3.17Å; L128-L130 PolarHBondContact O-N 3.05Å; L128-Y131 WeakPolarHBondContact O-CB 3.44Å; L128-Y131 PolarHBondContact O-N 3.24Å; L128-F133 HydrophobicContact CD1-CE1 3.55Å; L128-F133 HydrophobicContact CD1-CZ 3.9Å; L128-F133 HydrophobicContact CD2-CE1 4.32Å; L128-F133 HydrophobicContact CD2-CZ 3.99Å; L128-F133 HydrophobicContact CG-CE1 3.75Å; L128-F133 HydrophobicContact CG-CZ 3.95Å; L128-W137 HydrophobicContact CB-CH2 4.35Å; L128-W137 HydrophobicContact CB-CZ2 4.41Å; L128-W137 HydrophobicContact CD2-CH2 4.04Å; L128-W137 HydrophobicContact CD2-CZ2 4Å; L128-W137 HydrophobicContact CD2-CZ3 4.35Å; L128-W137 HydrophobicContact CG-CH2 3.77Å; L128-W137 HydrophobicContact CG-CZ2 4.09Å; L128-W137 HydrophobicContact CG-CZ3 4.26Å; L128-P138 HydrophobicContact CD2-CG 3.75Å
129T85.5Confident85.1Confident36 Ų3647.5 Ų47.522%0.22125%0.252CS..Hα-helixtrans-58.7-26.5175.8-62.40000112.9V125 Y131V125-T129 PolarHBondContact O-N 2.96Å; V125-T129 PolarHBondContact O-OG1 3.28Å; T129-Y131 PolarHBondContact O-N 2.99Å
130L84.2Confident85.8Confident77 Ų7744.7 Ų44.740%0.40323%0.233SC..THydrogen-bonded Turntrans-72.4-16.9175.4-57.2175.3000113.3P21 K127 L128P21-L130 HydrophobicContact CB-CB 3.88Å; P21-L130 HydrophobicContact CB-CD1 4.35Å; P21-L130 HydrophobicContact CG-CB 3.97Å; K127-L130 WeakPolarHBondContact O-CB 3.42Å; K127-L130 PolarHBondContact O-N 2.67Å; L128-L130 PolarHBondContact O-N 3.05Å
131Y87.3Confident86.7Confident31 Ų3142 Ų4212%0.12222%0.218CC..SBendtrans-94.5139.8174.5-66.1-95.1000110.5L17 V20 P21 F109 L112 K127 L128 T129L17-Y131 HydrophobicContact CD1-CD1 3.97Å; V20-Y131 HydrophobicContact CB-CD1 4.26Å; V20-Y131 HydrophobicContact CB-CE1 4.17Å; V20-Y131 HydrophobicContact CG1-CD1 4.01Å; V20-Y131 HydrophobicContact CG1-CE1 4.08Å; P21-Y131 HydrophobicContact CG-CD2 4.38Å; P21-Y131 HydrophobicContact CG-CE1 4.26Å; P21-Y131 HydrophobicContact CG-CE2 3.97Å; F109-Y131 HydrophobicContact CB-CD1 4.07Å; F109-Y131 HydrophobicContact CB-CE1 3.87Å; F109-Y131 AromaticContact CD2-CD1 3.78Å; F109-Y131 HydrophobicContact CD2-CD1 3.78Å; F109-Y131 HydrophobicContact CD2-CD2 4.44Å; F109-Y131 HydrophobicContact CD2-CE1 4.34Å; F109-Y131 AromaticContact CD2-CG 3.83Å; F109-Y131 HydrophobicContact CD2-CG 3.83Å; F109-Y131 HydrophobicContact CG-CD1 4.26Å; L112-Y131 HydrophobicContact CD2-CD2 4.05Å; L112-Y131 HydrophobicContact CD2-CE2 3.66Å; K127-Y131 WeakPolarHBondContact O-CD2 3.26Å; L128-Y131 WeakPolarHBondContact O-CB 3.44Å; L128-Y131 PolarHBondContact O-N 3.24Å; T129-Y131 PolarHBondContact O-N 2.99Å
132T84.8Confident87.4Confident22 Ų2239 Ų3914%0.13520%0.202CC..EExtended strand (participates in β ladder)trans-104.7117.3172-600000110.2H18 S19 L201H18-T132 HydrophobicContact CB-CG2 4.18Å; H18-T132 WeakPolarHBondContact CB-O 3.5Å; H18-T132 PolarHBondContact N-O 3.28Å; S19-T132 PolarHBondContact N-O 3.48Å; S19-T132 PolarHBondContact O-N 3.08Å; S19-T132 WeakPolarHBondContact OG-CB 3.38Å; S19-T132 PolarHBondContact OG-OG1 3.44Å; T132-L201 HydrophobicContact CG2-CD1 4.02Å; T132-L201 HydrophobicContact CG2-CD2 3.5Å; T132-L201 HydrophobicContact CG2-CG 4.3Å
133F89.3Confident88.2Confident0 Ų032.4 Ų32.40%017%0.171CC..EExtended strand (participates in β ladder)trans-147.1156.9179.962-89.4000113.4P15 S16 L17 F109 F113 L128 W137 R215P15-F133 HydrophobicContact CB-CB 4.16Å; P15-F133 HydrophobicContact CB-CD2 3.72Å; P15-F133 HydrophobicContact CB-CG 4.22Å; P15-F133 HydrophobicContact CG-CD2 4.21Å; S16-F133 CarbonylContact O-C 3.53Å; S16-F133 WeakPolarHBondContact O-CA 3.5Å; S16-F133 VanDerWaalsContact O-CB 3.24Å; S16-F133 WeakPolarHBondContact O-CB 3.49Å; L17-F133 HydrophobicContact CD1-CB 4.24Å; F109-F133 HydrophobicContact CD2-CD1 4.45Å; F109-F133 HydrophobicContact CE2-CB 4.27Å; F109-F133 AromaticContact CE2-CD1 3.33Å; F109-F133 HydrophobicContact CE2-CD1 3.33Å; F109-F133 HydrophobicContact CE2-CD2 4.49Å; F109-F133 AromaticContact CE2-CE1 3.65Å; F109-F133 HydrophobicContact CE2-CE1 3.65Å; F109-F133 AromaticContact CE2-CG 3.78Å; F109-F133 HydrophobicContact CE2-CG 3.78Å; F109-F133 HydrophobicContact CE2-CZ 4.34Å; F109-F133 HydrophobicContact CZ-CB 3.84Å; F109-F133 AromaticContact CZ-CD1 3.64Å; F109-F133 HydrophobicContact CZ-CD1 3.64Å; F109-F133 HydrophobicContact CZ-CD2 4.02Å; F109-F133 HydrophobicContact CZ-CE1 4.14Å; F109-F133 HydrophobicContact CZ-CE2 4.48Å; F109-F133 AromaticContact CZ-CG 3.55Å; F109-F133 HydrophobicContact CZ-CG 3.55Å; F113-F133 AromaticContact CD2-CE2 3.94Å; F113-F133 HydrophobicContact CD2-CE2 3.94Å; F113-F133 AromaticContact CD2-CZ 3.88Å; F113-F133 HydrophobicContact CD2-CZ 3.88Å; F113-F133 AromaticContact CE2-CE2 3.61Å; F113-F133 HydrophobicContact CE2-CE2 3.61Å; F113-F133 AromaticContact CE2-CZ 3.95Å; F113-F133 HydrophobicContact CE2-CZ 3.95Å; L128-F133 HydrophobicContact CD1-CE1 3.55Å; L128-F133 HydrophobicContact CD1-CZ 3.9Å; L128-F133 HydrophobicContact CD2-CE1 4.32Å; L128-F133 HydrophobicContact CD2-CZ 3.99Å; L128-F133 HydrophobicContact CG-CE1 3.75Å; L128-F133 HydrophobicContact CG-CZ 3.95Å; F133-W137 HydrophobicContact CD1-CZ3 4.26Å; F133-W137 HydrophobicContact CE1-CE3 4.01Å; F133-W137 AromaticContact CE1-CH2 3.95Å; F133-W137 HydrophobicContact CE1-CH2 3.95Å; F133-W137 AromaticContact CE1-CZ3 3.27Å; F133-W137 HydrophobicContact CE1-CZ3 3.27Å; F133-W137 AromaticContact CE2-CE3 3.94Å; F133-W137 HydrophobicContact CE2-CE3 3.94Å; F133-W137 HydrophobicContact CE2-CZ3 4.02Å; F133-W137 HydrophobicContact CZ-CD2 4.47Å; F133-W137 AromaticContact CZ-CE3 3.37Å; F133-W137 HydrophobicContact CZ-CE3 3.37Å; F133-W137 HydrophobicContact CZ-CH2 4.06Å; F133-W137 AromaticContact CZ-CZ3 3.13Å; F133-W137 HydrophobicContact CZ-CZ3 3.13Å; F133-R215 PolarHBondContact O-NH1 3.22Å
134S84.6Confident88.8Confident29 Ų2933.5 Ų33.520%0.20317%0.171CC..EExtended strand (participates in β ladder)trans-98.7103.5174.1-67.10000111.1S16 H18 F197 E290S16-S134 PolarHBondContact N-O 3.25Å; S16-S134 PolarHBondContact O-N 3.2Å; H18-S134 PolarHBondContact NE2-OG 2.97Å; S134-F197 WeakPolarHBondContact OG-CE2 3.17Å; S134-F197 VanDerWaalsContact OG-CZ 3.27Å; S134-F197 WeakPolarHBondContact OG-CZ 3.49Å; S134-E290 VanDerWaalsContact CA-OE1 3.3Å; S134-E290 WeakPolarHBondContact CA-OE1 3.42Å; S134-E290 VanDerWaalsContact CB-OE1 3.24Å; S134-E290 WeakPolarHBondContact CB-OE1 3.27Å; S134-E290 PolarHBondContact OG-OE1 2.76Å
135S84.1Confident89.2Confident20 Ų2040.6 Ų40.614%0.1420%0.203CC..SBendtrans-173.1157.3170.6-172.20000107.9W137 R215 E290S135-W137 PolarHBondContact O-N 2.99Å; S135-R215 PolarHBondContact O-NH2 2.74Å; S135-E290 WeakPolarHBondContact CA-OE2 3.27Å; S135-E290 PolarHBondContact N-OE2 2.98Å
136P82.9Confident89.7Confident46 Ų4641.3 Ų41.330%0.29921%0.207SC..PPolyproline II helixtrans-50124.9163.6-30.137.1000111.1F225P136-F225 HydrophobicContact CB-CD1 3.82Å; P136-F225 HydrophobicContact CB-CD2 4.11Å; P136-F225 HydrophobicContact CB-CE1 3.8Å; P136-F225 HydrophobicContact CB-CE2 4.07Å; P136-F225 HydrophobicContact CB-CG 3.99Å; P136-F225 HydrophobicContact CB-CZ 3.94Å; P136-F225 HydrophobicContact CG-CD1 4.35Å
137W88.5Confident90.1Very high6 Ų641.5 Ų41.52%0.02321%0.212CC..PPolyproline II helixtrans-61.5157.9175.6-157.2-112.4000110.8L128 F133 S135 V139 H140 R215 F225L128-W137 HydrophobicContact CB-CH2 4.35Å; L128-W137 HydrophobicContact CB-CZ2 4.41Å; L128-W137 HydrophobicContact CD2-CH2 4.04Å; L128-W137 HydrophobicContact CD2-CZ2 4Å; L128-W137 HydrophobicContact CD2-CZ3 4.35Å; L128-W137 HydrophobicContact CG-CH2 3.77Å; L128-W137 HydrophobicContact CG-CZ2 4.09Å; L128-W137 HydrophobicContact CG-CZ3 4.26Å; F133-W137 HydrophobicContact CD1-CZ3 4.26Å; F133-W137 HydrophobicContact CE1-CE3 4.01Å; F133-W137 AromaticContact CE1-CH2 3.95Å; F133-W137 HydrophobicContact CE1-CH2 3.95Å; F133-W137 AromaticContact CE1-CZ3 3.27Å; F133-W137 HydrophobicContact CE1-CZ3 3.27Å; F133-W137 AromaticContact CE2-CE3 3.94Å; F133-W137 HydrophobicContact CE2-CE3 3.94Å; F133-W137 HydrophobicContact CE2-CZ3 4.02Å; F133-W137 HydrophobicContact CZ-CD2 4.47Å; F133-W137 AromaticContact CZ-CE3 3.37Å; F133-W137 HydrophobicContact CZ-CE3 3.37Å; F133-W137 HydrophobicContact CZ-CH2 4.06Å; F133-W137 AromaticContact CZ-CZ3 3.13Å; F133-W137 HydrophobicContact CZ-CZ3 3.13Å; S135-W137 PolarHBondContact O-N 2.99Å; W137-V139 PolarHBondContact O-N 2.81Å; W137-H140 AromaticContact CD1-CE1 3.27Å; W137-H140 AromaticContact CD1-ND1 3.69Å; W137-H140 AromaticContact NE1-CE1 3.28Å; W137-H140 PolarHBondContact NE1-CE1 2.97Å; W137-H140 VanDerWaalsContact NE1-CE1 3.28Å; W137-R215 HydrophobicContact CD2-CG 4Å; W137-R215 HydrophobicContact CE3-CG 4.29Å; W137-R215 VanDerWaalsContact CE3-CZ 3.47Å; W137-R215 HydrophobicContact CG-CG 4.15Å; W137-R215 VanDerWaalsContact CZ3-NH1 3.28Å; W137-R215 PolarHBondContact NE1-O 3.41Å; W137-F225 HydrophobicContact CB-CZ 3.92Å; W137-F225 WeakPolarHBondContact O-CE2 3.49Å
138P90.2Very high90.1Very high2 Ų242 Ų421%0.01323%0.228CC..PPolyproline II helixtrans-52.2141.9167.9-27.136000111.8S116 K117 L128 H140 G217S116-P138 WeakPolarHBondContact OG-CG 3.43Å; K117-P138 HydrophobicContact CG-CG 4.49Å; L128-P138 HydrophobicContact CD2-CG 3.75Å; P138-H140 PolarHBondContact O-CE1 3.14Å; P138-H140 PolarHBondContact O-N 2.94Å; P138-H140 PolarHBondContact O-ND1 3.32Å; P138-G217 PolarHBondContact O-N 2.85Å
139V92.4Very high89.9Confident48 Ų4849 Ų4929%0.29126%0.264SS..EExtended strand (participates in β ladder)trans-80.5101.9-174.9173.70000110.1I120 W137 F141 D142 G217 L219 F225I120-V139 WeakPolarHBondContact CD1-O 3.34Å; W137-V139 PolarHBondContact O-N 2.81Å; V139-F141 VanDerWaalsContact C-N 3.31Å; V139-F141 WeakPolarHBondContact CG1-O 3.44Å; V139-D142 HydrophobicContact CG1-CB 4.3Å; V139-G217 CarbonylContact C-O 3.57Å; V139-G217 WeakPolarHBondContact CA-O 3.45Å; V139-L219 HydrophobicContact CB-CD1 4.4Å; V139-L219 HydrophobicContact CB-CG 4.31Å; V139-L219 HydrophobicContact CG1-CB 4.27Å; V139-L219 HydrophobicContact CG1-CD1 3.79Å; V139-L219 HydrophobicContact CG1-CG 3.58Å; V139-L219 HydrophobicContact CG2-CD1 3.9Å; V139-L219 HydrophobicContact CG2-CD2 4.07Å; V139-L219 HydrophobicContact CG2-CG 3.72Å; V139-F225 HydrophobicContact CG2-CD2 4.15Å; V139-F225 HydrophobicContact CG2-CE2 4.26Å
140H93Very high90Very high34 Ų3449 Ų4916%0.15727%0.265CS..EExtended strand (participates in β ladder)trans-76-21.4-179.4-68.861.3000113W137 P138 I216 G217W137-H140 AromaticContact CD1-CE1 3.27Å; W137-H140 AromaticContact CD1-ND1 3.69Å; W137-H140 AromaticContact NE1-CE1 3.28Å; W137-H140 PolarHBondContact NE1-CE1 2.97Å; W137-H140 VanDerWaalsContact NE1-CE1 3.28Å; P138-H140 PolarHBondContact O-CE1 3.14Å; P138-H140 PolarHBondContact O-N 2.94Å; P138-H140 PolarHBondContact O-ND1 3.32Å; H140-I216 HydrophobicContact CB-CB 4.27Å; H140-I216 HydrophobicContact CB-CG2 4.38Å; H140-G217 PolarHBondContact N-O 2.82Å
141F95.5Very high90.1Very high20 Ų2047.1 Ų47.19%0.08826%0.255CS..EExtended strand (participates in β ladder)trans-154.6132.2-176.7-176.6-104000110.6V139 V143 L146 L218 L219 L309 F310 H313 R314V139-F141 VanDerWaalsContact C-N 3.31Å; V139-F141 WeakPolarHBondContact CG1-O 3.44Å; F141-V143 HydrophobicContact CD1-CG2 4.27Å; F141-V143 HydrophobicContact CE1-CG2 3.85Å; F141-L146 HydrophobicContact CE1-CD1 4.45Å; F141-L146 HydrophobicContact CE2-CD2 4.06Å; F141-L146 HydrophobicContact CZ-CD1 3.84Å; F141-L146 HydrophobicContact CZ-CD2 3.96Å; F141-L146 HydrophobicContact CZ-CG 4.07Å; F141-L218 HydrophobicContact CB-CD2 3.73Å; F141-L218 HydrophobicContact CD1-CD2 4.35Å; F141-L218 HydrophobicContact CG-CD2 4.49Å; F141-L218 CarbonylContact O-C 3.59Å; F141-L218 WeakPolarHBondContact O-CA 3.39Å; F141-L219 PolarHBondContact O-N 3.12Å; F141-L309 HydrophobicContact CE1-CB 3.91Å; F141-L309 HydrophobicContact CZ-CB 4.08Å; F141-L309 WeakPolarHBondContact CZ-O 2.88Å; F141-F310 HydrophobicContact CB-CD2 3.59Å; F141-F310 HydrophobicContact CB-CE2 4.28Å; F141-F310 HydrophobicContact CD1-CB 3.82Å; F141-F310 HydrophobicContact CD1-CD2 4.35Å; F141-F310 HydrophobicContact CD2-CD2 4.25Å; F141-F310 HydrophobicContact CE1-CB 4.07Å; F141-F310 HydrophobicContact CG-CB 4.16Å; F141-F310 AromaticContact CG-CD2 3.85Å; F141-F310 HydrophobicContact CG-CD2 3.85Å; F141-H313 HydrophobicContact CE2-CB 4.15Å; F141-H313 HydrophobicContact CZ-CB 4.23Å; F141-R314 HydrophobicContact CD2-CB 4.02Å; F141-R314 HydrophobicContact CE2-CB 4.26Å
142D96.3Very high90.1Very high16 Ų1651.5 Ų51.59%0.08628%0.275CS..EExtended strand (participates in β ladder)trans-123112.3179.2-176.9-11000108.4V139 R144 Q145 L219V139-D142 HydrophobicContact CG1-CB 4.3Å; D142-R144 PolarHBondContact O-N 2.82Å; D142-R144 VanDerWaalsContact O-N 3.11Å; D142-R144 VanDerWaalsContact OD1-CB 3.26Å; D142-R144 WeakPolarHBondContact OD1-CB 3.46Å; D142-R144 WeakPolarHBondContact OD1-CG 3.45Å; D142-R144 IonicContact OD1-CZ 2.69Å; D142-R144 PolarHBondContact OD1-N 2.86Å; D142-R144 IonicContact OD1-NE 3.34Å; D142-R144 PolarHBondContact OD1-NE 2.87Å; D142-R144 IonicContact OD1-NH2 3.19Å; D142-R144 IonicContact OD2-CZ 2.79Å; D142-R144 IonicContact OD2-NE 3.41Å; D142-R144 PolarHBondContact OD2-NE 2.83Å; D142-R144 IonicContact OD2-NH2 3.66Å; D142-R144 PolarHBondContact OD2-NH2 2.81Å; D142-Q145 HydrophobicContact CB-CG 3.88Å; D142-Q145 WeakPolarHBondContact O-CB 3.38Å; D142-Q145 PolarHBondContact O-N 3.41Å; D142-L219 HydrophobicContact CB-CB 4.28Å; D142-L219 HydrophobicContact CB-CD1 4.5Å
143V97.3Very high90.3Very high1 Ų156.3 Ų56.31%0.00631%0.306CS..G310 helixtrans-57.8-29-177.9174.50000111.4F141 Q145 L146 L151 L219 R221 A306 L309F141-V143 HydrophobicContact CD1-CG2 4.27Å; F141-V143 HydrophobicContact CE1-CG2 3.85Å; V143-Q145 PolarHBondContact O-N 3.42Å; V143-L146 HydrophobicContact CG1-CD1 4.45Å; V143-L146 WeakPolarHBondContact O-CB 3.5Å; V143-L146 PolarHBondContact O-N 3.37Å; V143-L146 VanDerWaalsContact O-N 3.14Å; V143-L151 HydrophobicContact CG1-CD2 3.58Å; V143-L219 WeakPolarHBondContact CB-O 3.38Å; V143-L219 VanDerWaalsContact CG2-O 3.23Å; V143-L219 WeakPolarHBondContact CG2-O 3.38Å; V143-L219 PolarHBondContact N-O 2.87Å; V143-R221 HydrophobicContact CG1-CG 3.65Å; V143-A306 HydrophobicContact CG2-CB 3.73Å; V143-L309 HydrophobicContact CG1-CD1 3.72Å; V143-L309 HydrophobicContact CG2-CD1 4.2Å
144R96.2Very high90.3Very high127 Ų12758.8 Ų58.848%0.47932%0.317SS..G310 helixtrans-70.5-16.6-179.6-54.3168.6-61.6175.79.1112.9D142 R221D142-R144 PolarHBondContact O-N 2.82Å; D142-R144 VanDerWaalsContact O-N 3.11Å; D142-R144 VanDerWaalsContact OD1-CB 3.26Å; D142-R144 WeakPolarHBondContact OD1-CB 3.46Å; D142-R144 WeakPolarHBondContact OD1-CG 3.45Å; D142-R144 IonicContact OD1-CZ 2.69Å; D142-R144 PolarHBondContact OD1-N 2.86Å; D142-R144 IonicContact OD1-NE 3.34Å; D142-R144 PolarHBondContact OD1-NE 2.87Å; D142-R144 IonicContact OD1-NH2 3.19Å; D142-R144 IonicContact OD2-CZ 2.79Å; D142-R144 IonicContact OD2-NE 3.41Å; D142-R144 PolarHBondContact OD2-NE 2.83Å; D142-R144 IonicContact OD2-NH2 3.66Å; D142-R144 PolarHBondContact OD2-NH2 2.81Å; R144-R221 WeakPolarHBondContact CG-O 3.13Å
145Q95.4Very high90.6Very high157 Ų15762.2 Ų62.273%0.73433%0.329SS*.G310 helixtrans-85.7-9.9175.5-62.3178.37.400112.6D142 V143D142-Q145 HydrophobicContact CB-CG 3.88Å; D142-Q145 WeakPolarHBondContact O-CB 3.38Å; D142-Q145 PolarHBondContact O-N 3.41Å; V143-Q145 PolarHBondContact O-N 3.42Å
146L95.3Very high90.8Very high25 Ų2567 Ų6713%0.13136%0.357CS..SBendtrans-69.6145.8175.1-67176000110.8F141 V143 L151 L309 H313F141-L146 HydrophobicContact CE1-CD1 4.45Å; F141-L146 HydrophobicContact CE2-CD2 4.06Å; F141-L146 HydrophobicContact CZ-CD1 3.84Å; F141-L146 HydrophobicContact CZ-CD2 3.96Å; F141-L146 HydrophobicContact CZ-CG 4.07Å; V143-L146 HydrophobicContact CG1-CD1 4.45Å; V143-L146 WeakPolarHBondContact O-CB 3.5Å; V143-L146 PolarHBondContact O-N 3.37Å; V143-L146 VanDerWaalsContact O-N 3.14Å; L146-L151 HydrophobicContact CB-CD2 4.37Å; L146-L151 HydrophobicContact CB-CG 4.31Å; L146-L151 HydrophobicContact CD1-CD2 4.06Å; L146-L309 HydrophobicContact CD1-CB 4.13Å; L146-L309 HydrophobicContact CD1-CD1 3.94Å; L146-L309 HydrophobicContact CD1-CD2 4.44Å; L146-L309 HydrophobicContact CD1-CG 4.41Å; L146-H313 HydrophobicContact CD2-CB 3.97Å
147P92.7Very high91Very high77 Ų7765.8 Ų65.850%0.535%0.349SS..  trans-54.9143.2169.4-25.235.2000111.3I149 S150 L151P147-I149 HydrophobicContact CB-CG2 3.98Å; P147-I149 PolarHBondContact O-N 2.98Å; P147-I149 VanDerWaalsContact O-N 3.1Å; P147-S150 WeakPolarHBondContact O-CB 3.41Å; P147-S150 PolarHBondContact O-N 3.46Å; P147-L151 PolarHBondContact O-N 3.29Å
148S87Confident90.9Very high108 Ų10868.5 Ų68.576%0.75537%0.367SS*.THydrogen-bonded Turntrans-55.5-30.4178.1500000113.3S150 L151S148-S150 VanDerWaalsContact C-N 3.28Å; S148-S150 PolarHBondContact O-N 2.87Å; S148-L151 PolarHBondContact O-N 3.05Å; S148-L151 VanDerWaalsContact O-N 3.14Å
149I85.9Confident90.6Very high148 Ų14877.6 Ų77.676%0.75941%0.407SS*.THydrogen-bonded Turntrans-65.7-27.9176-162162.7000113.4P147 L151P147-I149 HydrophobicContact CB-CG2 3.98Å; P147-I149 PolarHBondContact O-N 2.98Å; P147-I149 VanDerWaalsContact O-N 3.1Å; I149-L151 VanDerWaalsContact C-N 3.35Å
150S86.5Confident90.5Very high34 Ų3478 Ų7824%0.23840%0.403CS..THydrogen-bonded Turntrans-77.8-23.8174.7-57.10000112P147 S148 K152P147-S150 WeakPolarHBondContact O-CB 3.41Å; P147-S150 PolarHBondContact O-N 3.46Å; S148-S150 VanDerWaalsContact C-N 3.28Å; S148-S150 PolarHBondContact O-N 2.87Å; S150-K152 PolarHBondContact O-N 3.26Å
151L87.9Confident90Very high39 Ų3983 Ų8320%0.20443%0.429CS..SBendtrans-92.378.6-179.2-63.4177.5000110.5V143 L146 P147 S148 I149 L309V143-L151 HydrophobicContact CG1-CD2 3.58Å; L146-L151 HydrophobicContact CB-CD2 4.37Å; L146-L151 HydrophobicContact CB-CG 4.31Å; L146-L151 HydrophobicContact CD1-CD2 4.06Å; P147-L151 PolarHBondContact O-N 3.29Å; S148-L151 PolarHBondContact O-N 3.05Å; S148-L151 VanDerWaalsContact O-N 3.14Å; I149-L151 VanDerWaalsContact C-N 3.35Å; L151-L309 HydrophobicContact CD2-CD1 3.87Å
152K85.9Confident89.3Confident122 Ų12283.3 Ų83.353%0.5343%0.434SS..PPolyproline II helixtrans-57145174.1-64.1-177.8-176.8177.40110.6S150 K154 R221S150-K152 PolarHBondContact O-N 3.26Å; K152-K154 PolarHBondContact O-N 3.28Å; K152-R221 PolarHBondContact O-NH1 2.72Å; K152-R221 PolarHBondContact O-NH2 3.15Å
153P89.2Confident88.7Confident123 Ų12390.1 Ų90.180%0.79947%0.47SS*.PPolyproline II helixtrans-57.1136.6167.1-22.533.3000110.2
154K90Very high88.1Confident53 Ų5391.5 Ų91.523%0.2348%0.479CS..PPolyproline II helixtrans-74.4135.1-179.7-63.6173.4175.6-163.10109.8K152 T156 N302 E305 W336 N340K152-K154 PolarHBondContact O-N 3.28Å; K154-T156 PolarHBondContact O-N 2.98Å; K154-N302 PolarHBondContact NZ-OD1 3.19Å; K154-E305 WeakPolarHBondContact CE-OE2 3.39Å; K154-E305 IonicContact NZ-OE2 3.79Å; K154-E305 PolarHBondContact NZ-OE2 3.36Å; K154-E305 VanDerWaalsContact NZ-OE2 3.14Å; K154-W336 HydrophobicContact CB-CZ2 4.24Å; K154-W336 HydrophobicContact CD-CH2 4.28Å; K154-W336 HydrophobicContact CD-CZ2 3.89Å; K154-W336 HydrophobicContact CG-CH2 4.34Å; K154-W336 HydrophobicContact CG-CZ2 3.98Å; K154-N340 WeakPolarHBondContact CA-OD1 3.41Å
155K90.1Very high87.7Confident101 Ų10189.2 Ų89.244%0.43948%0.48SS..PPolyproline II helixtrans-64.1122.8160.4-68.6-178.8-175.3170.90107.3M339 N340K155-M339 HydrophobicContact CB-CE 4.03Å; K155-M339 HydrophobicContact CB-CG 4.46Å; K155-M339 HydrophobicContact CB-SD 4.48Å; K155-M339 HydrophobicContact CD-CG 3.92Å; K155-M339 WeakPolarHBondContact CD-O 3.39Å; K155-M339 WeakPolarHBondContact CE-O 3.13Å; K155-M339 PolarHBondContact NZ-O 3.06Å; K155-N340 PolarHBondContact N-OD1 3.13Å
156T88.3Confident87.4Confident121 Ų12185.4 Ų85.474%0.74248%0.476SS*.PPolyproline II helixtrans-73.7131.217851.70000109.6K154K154-T156 PolarHBondContact O-N 2.98Å
157T87.4Confident87.1Confident19 Ų1991.2 Ų91.212%0.11751%0.506CS..PPolyproline II helixtrans-53.3127.3167.1-57.40000108.9K159 Q301 H387T157-K159 PolarHBondContact O-N 3.49Å; T157-Q301 PolarHBondContact OG1-NE2 3.05Å; T157-H387 VanDerWaalsContact CG2-NE2 3.32Å; T157-H387 WeakPolarHBondContact CG2-NE2 3.32Å; T157-H387 PolarHBondContact OG1-NE2 2.94Å
158P86Confident87Confident63 Ų6392.5 Ų92.541%0.40950%0.504SS..  trans-55.4114.3177.3-25.834.8000110.4R160P158-R160 PolarHBondContact O-N 2.83Å
159K84.8Confident87.3Confident194 Ų19490.5 Ų90.584%0.84348%0.484SS*.PPolyproline II helixtrans-74.9127.7-178.7-68.6-170.4176.8-174.40110T157T157-K159 PolarHBondContact O-N 3.49Å
160R89.8Confident87.6Confident56 Ų5687.1 Ų87.121%0.21147%0.472CS..PPolyproline II helixtrans-81.8134.8169.8-63.1-174.3-68.4151.2-0.5109.7P158 D357 K377 D381P158-R160 PolarHBondContact O-N 2.83Å; R160-D357 IonicContact CZ-OD1 3.02Å; R160-D357 IonicContact CZ-OD2 3.94Å; R160-D357 VanDerWaalsContact NH1-CG 3.26Å; R160-D357 IonicContact NH1-OD1 2.7Å; R160-D357 PolarHBondContact NH1-OD1 3.19Å; R160-D357 VanDerWaalsContact NH1-OD1 3.14Å; R160-D357 IonicContact NH1-OD2 3.28Å; R160-D357 PolarHBondContact NH1-OD2 2.88Å; R160-D357 IonicContact NH2-OD1 3.12Å; R160-D357 PolarHBondContact NH2-OD1 3.2Å; R160-D357 IonicContact NH2-OD2 3.48Å; R160-K377 HydrophobicContact CB-CD 4.4Å; R160-K377 HydrophobicContact CB-CG 4.21Å; R160-D381 WeakPolarHBondContact CG-OD2 3.28Å; R160-D381 IonicContact CZ-OD1 2.64Å; R160-D381 IonicContact CZ-OD2 3.04Å; R160-D381 VanDerWaalsContact NE-CG 3.33Å; R160-D381 IonicContact NE-OD1 2.93Å; R160-D381 PolarHBondContact NE-OD1 3.5Å; R160-D381 IonicContact NE-OD2 3.56Å; R160-D381 PolarHBondContact NE-OD2 3.26Å; R160-D381 IonicContact NH2-OD1 3.02Å; R160-D381 PolarHBondContact NH2-OD1 3.33Å; R160-D381 IonicContact NH2-OD2 2.66Å
161I82.2Confident87.8Confident139 Ų13989.5 Ų89.571%0.71348%0.482SS*.PPolyproline II helixtrans-79.3139.7-177.9-59170.7000109.1K377I161-K377 WeakPolarHBondContact O-CD 3.33Å
162S81.7Confident88.1Confident27 Ų2787.8 Ų87.819%0.18947%0.473CS..  trans-123.7127.4173.5179.70000109V164 S374S162-V164 PolarHBondContact O-N 3.32Å; S162-V164 WeakPolarHBondContact OG-CG2 3.45Å; S162-S374 WeakPolarHBondContact OG-CA 3.33Å; S162-S374 PolarHBondContact OG-OG 3.27Å
163D82.5Confident88.5Confident158 Ų15888 Ų8885%0.84547%0.47SS*.  trans-86.150.5-174.6-64.8-34.6000112.2
164V85.8Confident88.7Confident30 Ų3086.2 Ų86.218%0.18245%0.453CS..  trans-87.8127.2-178.9178.50000110.8S162 A166 F168 I172 S374S162-V164 PolarHBondContact O-N 3.32Å; S162-V164 WeakPolarHBondContact OG-CG2 3.45Å; V164-A166 PolarHBondContact O-N 3.21Å; V164-F168 HydrophobicContact CG1-CB 3.73Å; V164-I172 HydrophobicContact CG1-CG1 4.23Å; V164-S374 VanDerWaalsContact CG2-CB 3.42Å; V164-S374 WeakPolarHBondContact CG2-OG 3.26Å
165P86.9Confident88.9Confident79 Ų7985.7 Ų85.751%0.51345%0.453SS..  trans-56.6136.5171-23.132.2000111.4L167 F168P165-L167 PolarHBondContact O-N 3.49Å; P165-F168 HydrophobicContact CB-CD2 4.03Å; P165-F168 HydrophobicContact CB-CE2 4.46Å; P165-F168 HydrophobicContact CG-CD2 4.09Å; P165-F168 HydrophobicContact CG-CE2 4.34Å; P165-F168 PolarHBondContact O-N 3.2Å
166A88.6Confident89.1Confident78 Ų7880.9 Ų80.965%0.64543%0.432SS*.G310 helixtrans-52.1-28.8-175.500000114.4V164 F168 I169V164-A166 PolarHBondContact O-N 3.21Å; A166-F168 VanDerWaalsContact C-N 3.25Å; A166-F168 PolarHBondContact O-N 2.93Å; A166-I169 HydrophobicContact CB-CD1 4.22Å; A166-I169 WeakPolarHBondContact O-CB 3.49Å; A166-I169 PolarHBondContact O-N 2.99Å
167L91Very high89.4Confident147 Ų14777.4 Ų77.477%0.7741%0.407SS*.G310 helixtrans-58.7-31.8176.4-175.964.8000113.5P165P165-L167 PolarHBondContact O-N 3.49Å
168F90.2Very high89.6Confident103 Ų10379.2 Ų79.245%0.45242%0.418SS..G310 helixtrans-90.9-11.9-178-65.7-69.8000113.5V164 P165 A166 P170 L171 I172V164-F168 HydrophobicContact CG1-CB 3.73Å; P165-F168 HydrophobicContact CB-CD2 4.03Å; P165-F168 HydrophobicContact CB-CE2 4.46Å; P165-F168 HydrophobicContact CG-CD2 4.09Å; P165-F168 HydrophobicContact CG-CE2 4.34Å; P165-F168 PolarHBondContact O-N 3.2Å; A166-F168 VanDerWaalsContact C-N 3.25Å; A166-F168 PolarHBondContact O-N 2.93Å; F168-P170 VanDerWaalsContact C-CD 3.47Å; F168-P170 VanDerWaalsContact C-N 3.33Å; F168-L171 HydrophobicContact CD1-CD2 4.47Å; F168-L171 WeakPolarHBondContact O-CA 3.34Å; F168-L171 WeakPolarHBondContact O-CB 3.37Å; F168-L171 PolarHBondContact O-N 3.38Å; F168-I172 WeakPolarHBondContact O-CG1 3.4Å; F168-I172 PolarHBondContact O-N 3.43Å
169I91.8Very high89.8Confident66 Ų6680.2 Ų80.234%0.33842%0.419SS..Hα-helixtrans-51.8-44-178.5-65.5176.4000112.7A166 L171 I172 W173 M378A166-I169 HydrophobicContact CB-CD1 4.22Å; A166-I169 WeakPolarHBondContact O-CB 3.49Å; A166-I169 PolarHBondContact O-N 2.99Å; I169-L171 VanDerWaalsContact C-N 3.31Å; I169-L171 PolarHBondContact O-N 2.92Å; I169-I172 PolarHBondContact O-N 3.28Å; I169-W173 WeakPolarHBondContact O-CB 3.41Å; I169-W173 PolarHBondContact O-N 3.01Å; I169-M378 HydrophobicContact CG1-CE 4.34Å; I169-M378 HydrophobicContact CG2-CE 4.38Å
170P93.5Very high90.2Very high78 Ų7871.5 Ų71.551%0.50638%0.384SS..Hα-helixtrans-62-37176.8-23.735.2000113.2F168 W173 I174F168-P170 VanDerWaalsContact C-CD 3.47Å; F168-P170 VanDerWaalsContact C-N 3.33Å; P170-W173 WeakPolarHBondContact O-CB 3.38Å; P170-W173 PolarHBondContact O-N 3.23Å; P170-I174 VanDerWaalsContact O-CG1 3.27Å; P170-I174 WeakPolarHBondContact O-CG1 3.41Å; P170-I174 PolarHBondContact O-N 2.79Å
171L91.3Very high90.5Very high83 Ų8368.8 Ų68.844%0.43537%0.374SS..Hα-helixtrans-67.6-45.9176.9179.263.7000110.9F168 I169 W173 I174 I175F168-L171 HydrophobicContact CD1-CD2 4.47Å; F168-L171 WeakPolarHBondContact O-CA 3.34Å; F168-L171 WeakPolarHBondContact O-CB 3.37Å; F168-L171 PolarHBondContact O-N 3.38Å; I169-L171 VanDerWaalsContact C-N 3.31Å; I169-L171 PolarHBondContact O-N 2.92Å; L171-W173 VanDerWaalsContact C-N 3.27Å; L171-W173 PolarHBondContact O-N 3.42Å; L171-I174 PolarHBondContact O-N 3.27Å; L171-I175 HydrophobicContact CD1-CD1 4.09Å; L171-I175 HydrophobicContact CD1-CG1 4.39Å; L171-I175 HydrophobicContact CG-CD1 3.98Å; L171-I175 WeakPolarHBondContact O-CG1 3.49Å; L171-I175 PolarHBondContact O-N 2.98Å
172I93.2Very high91.1Very high4 Ų464.8 Ų64.82%0.02135%0.35CS..Hα-helixtrans-57.4-44.6174.5-55.9-51.9000110.1V164 F168 I169 I175 A176 V371 V375 M378 Y379V164-I172 HydrophobicContact CG1-CG1 4.23Å; F168-I172 WeakPolarHBondContact O-CG1 3.4Å; F168-I172 PolarHBondContact O-N 3.43Å; I169-I172 PolarHBondContact O-N 3.28Å; I172-I175 PolarHBondContact O-N 3Å; I172-A176 WeakPolarHBondContact O-CB 3.26Å; I172-A176 PolarHBondContact O-N 2.84Å; I172-V371 HydrophobicContact CD1-CB 4.41Å; I172-V371 HydrophobicContact CD1-CG1 3.68Å; I172-V375 HydrophobicContact CD1-CG2 4.46Å; I172-V375 HydrophobicContact CG2-CB 4.38Å; I172-V375 HydrophobicContact CG2-CG2 3.72Å; I172-M378 HydrophobicContact CG2-SD 4.04Å; I172-Y379 HydrophobicContact CB-CE2 4.34Å; I172-Y379 HydrophobicContact CG2-CD2 3.87Å; I172-Y379 HydrophobicContact CG2-CE2 3.61Å
173W94.7Very high91.6Very high126 Ų12667.5 Ų67.548%0.47736%0.36SS..Hα-helixtrans-59.1-48.4176.7-176.993.6000111.8I169 P170 L171 I175 A176 H177 Y379I169-W173 WeakPolarHBondContact O-CB 3.41Å; I169-W173 PolarHBondContact O-N 3.01Å; P170-W173 WeakPolarHBondContact O-CB 3.38Å; P170-W173 PolarHBondContact O-N 3.23Å; L171-W173 VanDerWaalsContact C-N 3.27Å; L171-W173 PolarHBondContact O-N 3.42Å; W173-I175 VanDerWaalsContact C-N 3.34Å; W173-I175 PolarHBondContact O-N 3.07Å; W173-A176 PolarHBondContact O-N 3.42Å; W173-H177 AromaticContact CD1-CE1 3.27Å; W173-H177 AromaticContact CD1-ND1 3.57Å; W173-H177 AromaticContact CD1-NE2 4Å; W173-H177 AromaticContact CD2-ND1 3.72Å; W173-H177 AromaticContact CE2-CD2 3.81Å; W173-H177 AromaticContact CE2-CE1 3.6Å; W173-H177 AromaticContact CE2-CG 3.71Å; W173-H177 AromaticContact CE2-ND1 3.55Å; W173-H177 AromaticContact CE2-NE2 3.74Å; W173-H177 AromaticContact CG-CE1 3.9Å; W173-H177 AromaticContact CG-ND1 3.72Å; W173-H177 HydrophobicContact CH2-CB 4.43Å; W173-H177 HydrophobicContact CZ2-CB 4.39Å; W173-H177 AromaticContact CZ2-CD2 3.76Å; W173-H177 AromaticContact CZ2-CG 3.86Å; W173-H177 AromaticContact NE1-CD2 3.88Å; W173-H177 AromaticContact NE1-CE1 3.05Å; W173-H177 PolarHBondContact NE1-CE1 3.43Å; W173-H177 AromaticContact NE1-CG 3.97Å; W173-H177 AromaticContact NE1-ND1 3.45Å; W173-H177 PolarHBondContact NE1-ND1 2.85Å; W173-H177 AromaticContact NE1-NE2 3.31Å; W173-H177 PolarHBondContact NE1-NE2 3.42Å; W173-H177 WeakPolarHBondContact O-CB 3.38Å; W173-H177 PolarHBondContact O-N 3.15Å; W173-H177 PolarHBondContact O-ND1 3Å; W173-Y379 WeakPolarHBondContact CB-OH 3.37Å; W173-Y379 AromaticContact CD1-CE1 3.75Å; W173-Y379 AromaticContact CD1-CZ 3.86Å
174I94Very high92.2Very high85 Ų8561.1 Ų61.144%0.43633%0.327SS..Hα-helixtrans-58.7-48.2178.3-71.3167.7000109.9P170 L171 A176 H177 T178P170-I174 VanDerWaalsContact O-CG1 3.27Å; P170-I174 WeakPolarHBondContact O-CG1 3.41Å; P170-I174 PolarHBondContact O-N 2.79Å; L171-I174 PolarHBondContact O-N 3.27Å; I174-A176 PolarHBondContact O-N 3Å; I174-H177 PolarHBondContact O-N 3.25Å; I174-T178 HydrophobicContact CG2-CG2 4.32Å; I174-T178 VanDerWaalsContact O-CB 3.32Å; I174-T178 WeakPolarHBondContact O-CB 3.17Å; I174-T178 VanDerWaalsContact O-CG2 3.31Å; I174-T178 WeakPolarHBondContact O-CG2 3.38Å; I174-T178 PolarHBondContact O-N 3.41Å; I174-T178 PolarHBondContact O-OG1 3.46Å
175I93.1Very high92.7Very high43 Ų4359.7 Ų59.722%0.22132%0.318CS..Hα-helixtrans-61.7-47.7-178.7-67.1169.1000110.3L171 I172 W173 H177 T178 I179 G180 V371 V375L171-I175 HydrophobicContact CD1-CD1 4.09Å; L171-I175 HydrophobicContact CD1-CG1 4.39Å; L171-I175 HydrophobicContact CG-CD1 3.98Å; L171-I175 WeakPolarHBondContact O-CG1 3.49Å; L171-I175 PolarHBondContact O-N 2.98Å; I172-I175 PolarHBondContact O-N 3Å; W173-I175 VanDerWaalsContact C-N 3.34Å; W173-I175 PolarHBondContact O-N 3.07Å; I175-H177 PolarHBondContact O-N 3.05Å; I175-T178 PolarHBondContact O-N 3.08Å; I175-I179 PolarHBondContact O-N 3Å; I175-G180 PolarHBondContact O-N 3.01Å; I175-V371 HydrophobicContact CD1-CG1 3.53Å; I175-V375 HydrophobicContact CB-CG2 4.14Å; I175-V375 HydrophobicContact CG2-CG2 3.8Å
176A94.8Very high93Very high0 Ų058.7 Ų58.70%031%0.31CS..Iπ-helixtrans-58.6-46.1177.800000112.2I172 W173 I174 T178 I181 V375 Y379I172-A176 WeakPolarHBondContact O-CB 3.26Å; I172-A176 PolarHBondContact O-N 2.84Å; W173-A176 PolarHBondContact O-N 3.42Å; I174-A176 PolarHBondContact O-N 3Å; A176-T178 PolarHBondContact O-N 3.11Å; A176-I181 VanDerWaalsContact O-CB 3.28Å; A176-I181 WeakPolarHBondContact O-CB 3.5Å; A176-I181 VanDerWaalsContact O-CG2 3.26Å; A176-I181 WeakPolarHBondContact O-CG2 3.39Å; A176-I181 PolarHBondContact O-N 2.99Å; A176-V375 HydrophobicContact CB-CG1 4.06Å; A176-Y379 HydrophobicContact CB-CD1 4.28Å; A176-Y379 HydrophobicContact CB-CD2 3.67Å; A176-Y379 HydrophobicContact CB-CE2 4.43Å; A176-Y379 HydrophobicContact CB-CG 3.6Å
177H94.5Very high93.3Very high48 Ų4855 Ų5522%0.22228%0.28CS..Iπ-helixtrans-81.6-11.6-174.8-67.569.4000114.5W173 I174 I175 R182 F296 Y379W173-H177 AromaticContact CD1-CE1 3.27Å; W173-H177 AromaticContact CD1-ND1 3.57Å; W173-H177 AromaticContact CD1-NE2 4Å; W173-H177 AromaticContact CD2-ND1 3.72Å; W173-H177 AromaticContact CE2-CD2 3.81Å; W173-H177 AromaticContact CE2-CE1 3.6Å; W173-H177 AromaticContact CE2-CG 3.71Å; W173-H177 AromaticContact CE2-ND1 3.55Å; W173-H177 AromaticContact CE2-NE2 3.74Å; W173-H177 AromaticContact CG-CE1 3.9Å; W173-H177 AromaticContact CG-ND1 3.72Å; W173-H177 HydrophobicContact CH2-CB 4.43Å; W173-H177 HydrophobicContact CZ2-CB 4.39Å; W173-H177 AromaticContact CZ2-CD2 3.76Å; W173-H177 AromaticContact CZ2-CG 3.86Å; W173-H177 AromaticContact NE1-CD2 3.88Å; W173-H177 AromaticContact NE1-CE1 3.05Å; W173-H177 PolarHBondContact NE1-CE1 3.43Å; W173-H177 AromaticContact NE1-CG 3.97Å; W173-H177 AromaticContact NE1-ND1 3.45Å; W173-H177 PolarHBondContact NE1-ND1 2.85Å; W173-H177 AromaticContact NE1-NE2 3.31Å; W173-H177 PolarHBondContact NE1-NE2 3.42Å; W173-H177 WeakPolarHBondContact O-CB 3.38Å; W173-H177 PolarHBondContact O-N 3.15Å; W173-H177 PolarHBondContact O-ND1 3Å; I174-H177 PolarHBondContact O-N 3.25Å; I175-H177 PolarHBondContact O-N 3.05Å; H177-R182 PolarHBondContact O-NH1 2.92Å; H177-F296 HydrophobicContact CB-CZ 4.31Å; H177-F296 AromaticContact CD2-CE2 3.69Å; H177-F296 AromaticContact CD2-CZ 3.48Å; H177-F296 VanDerWaalsContact CD2-CZ 3.48Å; H177-F296 WeakPolarHBondContact CD2-CZ 3.46Å; H177-F296 AromaticContact CE1-CZ 3.85Å; H177-F296 AromaticContact CG-CZ 3.67Å; H177-F296 AromaticContact ND1-CZ 3.91Å; H177-F296 AromaticContact NE2-CE2 3.94Å; H177-F296 AromaticContact NE2-CZ 3.62Å; H177-Y379 AromaticContact CE1-CD1 3.69Å; H177-Y379 AromaticContact CE1-CE1 3.67Å
178T91.3Very high93.5Very high56 Ų5648.7 Ų48.734%0.34425%0.248SC..Iπ-helixtrans-107.5-70.917858.30000111.6I174 I175 A176 R182I174-T178 HydrophobicContact CG2-CG2 4.32Å; I174-T178 VanDerWaalsContact O-CB 3.32Å; I174-T178 WeakPolarHBondContact O-CB 3.17Å; I174-T178 VanDerWaalsContact O-CG2 3.31Å; I174-T178 WeakPolarHBondContact O-CG2 3.38Å; I174-T178 PolarHBondContact O-N 3.41Å; I174-T178 PolarHBondContact O-OG1 3.46Å; I175-T178 PolarHBondContact O-N 3.08Å; A176-T178 PolarHBondContact O-N 3.11Å; T178-R182 VanDerWaalsContact O-CD 3.29Å; T178-R182 WeakPolarHBondContact O-CD 3.43Å; T178-R182 PolarHBondContact O-NH1 2.71Å
179I90.6Very high93.6Very high85 Ų8545.4 Ų45.444%0.43624%0.236SC..Iπ-helixtrans-92.7-49.4-170.2-63.4169000110.4I175 I181 R182 M183I175-I179 PolarHBondContact O-N 3Å; I179-I181 PolarHBondContact O-N 3.46Å; I179-R182 PolarHBondContact O-N 2.93Å; I179-R182 VanDerWaalsContact O-N 3.11Å; I179-M183 HydrophobicContact CG2-CG 4.01Å; I179-M183 HydrophobicContact CG2-SD 3.43Å; I179-M183 WeakPolarHBondContact CG2-SD 3.43Å; I179-M183 WeakPolarHBondContact O-CG 3.5Å; I179-M183 PolarHBondContact O-N 3.14Å
180G93.5Very high93.4Very high10 Ų1050.1 Ų50.110%0.10325%0.25CS..Iπ-helixtrans-54.1-56.5-173.300000112.5I175 R182 M183 T184I175-G180 PolarHBondContact O-N 3.01Å; G180-R182 VanDerWaalsContact C-N 3.25Å; G180-R182 PolarHBondContact O-N 3.26Å; G180-M183 PolarHBondContact O-N 3.33Å; G180-M183 VanDerWaalsContact O-N 3.11Å; G180-T184 PolarHBondContact O-N 2.57Å; G180-T184 PolarHBondContact O-OG1 2.78Å
181I95.8Very high93.2Very high0 Ų051.7 Ų51.70%025%0.253CS..Hα-helixtrans-58.8-35.1-179.5-171.360.7000113.4A176 I179 Y185 L294 P295 F296 L380A176-I181 VanDerWaalsContact O-CB 3.28Å; A176-I181 WeakPolarHBondContact O-CB 3.5Å; A176-I181 VanDerWaalsContact O-CG2 3.26Å; A176-I181 WeakPolarHBondContact O-CG2 3.39Å; A176-I181 PolarHBondContact O-N 2.99Å; I179-I181 PolarHBondContact O-N 3.46Å; I181-Y185 HydrophobicContact CD1-CD2 4.08Å; I181-Y185 PolarHBondContact O-N 3.28Å; I181-L294 HydrophobicContact CG1-CB 4.31Å; I181-L294 HydrophobicContact CG2-CD1 4.46Å; I181-P295 HydrophobicContact CD1-CG 3.94Å; I181-P295 WeakPolarHBondContact CD1-O 3.34Å; I181-P295 HydrophobicContact CG1-CG 4.25Å; I181-F296 HydrophobicContact CB-CE1 4.24Å; I181-F296 HydrophobicContact CB-CE2 4.46Å; I181-F296 HydrophobicContact CB-CZ 4.02Å; I181-F296 HydrophobicContact CD1-CD1 4.05Å; I181-F296 HydrophobicContact CD1-CD2 4.37Å; I181-F296 HydrophobicContact CD1-CE1 4.22Å; I181-F296 HydrophobicContact CD1-CG 4.13Å; I181-F296 HydrophobicContact CD1-CZ 4.47Å; I181-F296 HydrophobicContact CG1-CD2 4.4Å; I181-F296 HydrophobicContact CG1-CE1 4.37Å; I181-F296 HydrophobicContact CG1-CE2 4.17Å; I181-F296 HydrophobicContact CG1-CZ 4.17Å; I181-F296 HydrophobicContact CG2-CZ 4.33Å; I181-L380 HydrophobicContact CB-CD2 4.48Å; I181-L380 HydrophobicContact CD1-CD2 3.61Å
182R93.4Very high93.2Very high55 Ų5549.9 Ų49.921%0.20824%0.244CC..Hα-helixtrans-80-24.7-179.4-69.9176.5-179.871.59.2112.8H177 T178 I179 G180 Y185 V186 T189H177-R182 PolarHBondContact O-NH1 2.92Å; T178-R182 VanDerWaalsContact O-CD 3.29Å; T178-R182 WeakPolarHBondContact O-CD 3.43Å; T178-R182 PolarHBondContact O-NH1 2.71Å; I179-R182 PolarHBondContact O-N 2.93Å; I179-R182 VanDerWaalsContact O-N 3.11Å; G180-R182 VanDerWaalsContact C-N 3.25Å; G180-R182 PolarHBondContact O-N 3.26Å; R182-Y185 CarbonylContact O-C 3.56Å; R182-V186 VanDerWaalsContact O-CA 3.27Å; R182-V186 WeakPolarHBondContact O-CA 3.47Å; R182-V186 WeakPolarHBondContact O-CG1 3.27Å; R182-V186 PolarHBondContact O-N 3.04Å; R182-T189 HydrophobicContact CB-CG2 4.15Å; R182-T189 HydrophobicContact CG-CG2 4.29Å
183M92.2Very high93.2Very high83 Ų8350.8 Ų50.841%0.40925%0.248SC..Hα-helixtrans-77.9-40.6171.4-72.1-177.765.500111.1I179 G180 V363I179-M183 HydrophobicContact CG2-CG 4.01Å; I179-M183 HydrophobicContact CG2-SD 3.43Å; I179-M183 WeakPolarHBondContact CG2-SD 3.43Å; I179-M183 WeakPolarHBondContact O-CG 3.5Å; I179-M183 PolarHBondContact O-N 3.14Å; G180-M183 PolarHBondContact O-N 3.33Å; G180-M183 VanDerWaalsContact O-N 3.11Å; M183-V363 HydrophobicContact CE-CG1 3.72Å
184T95.4Very high92.9Very high24 Ų2447.1 Ų47.115%0.14724%0.242CC..Hα-helixtrans-66.7-40.6175.9-56.70000111.9G180 N261 I329 I356 L382G180-T184 PolarHBondContact O-N 2.57Å; G180-T184 PolarHBondContact O-OG1 2.78Å; T184-N261 PolarHBondContact O-ND2 3.14Å; T184-I329 HydrophobicContact CG2-CD1 3.76Å; T184-I356 HydrophobicContact CG2-CD1 3.82Å; T184-L382 HydrophobicContact CG2-CD1 4.12Å
185Y96.7Very high92.8Very high0 Ų049.5 Ų49.50%026%0.255CS..THydrogen-bonded Turntrans-125.777.8178.9-70.8-89.7000111I181 R182 G187 C188 N261 F288 P295 I329 L382I181-Y185 HydrophobicContact CD1-CD2 4.08Å; I181-Y185 PolarHBondContact O-N 3.28Å; R182-Y185 CarbonylContact O-C 3.56Å; Y185-G187 PolarHBondContact O-N 3.22Å; Y185-G187 VanDerWaalsContact O-N 3.16Å; Y185-C188 PolarHBondContact O-N 3.25Å; Y185-C188 PolarHBondContact O-SG 2.85Å; Y185-N261 VanDerWaalsContact CA-OD1 3.3Å; Y185-N261 WeakPolarHBondContact CA-OD1 3.42Å; Y185-F288 HydrophobicContact CD1-CE2 4.09Å; Y185-F288 HydrophobicContact CD1-CZ 4.01Å; Y185-F288 HydrophobicContact CG-CE2 4.49Å; Y185-P295 HydrophobicContact CD1-CB 3.96Å; Y185-P295 HydrophobicContact CD1-CG 3.98Å; Y185-P295 HydrophobicContact CD2-CB 3.9Å; Y185-P295 HydrophobicContact CD2-CG 3.59Å; Y185-P295 HydrophobicContact CE1-CB 4.25Å; Y185-P295 HydrophobicContact CE2-CB 4.19Å; Y185-P295 HydrophobicContact CE2-CG 4.36Å; Y185-P295 VanDerWaalsContact CE2-O 3.23Å; Y185-P295 WeakPolarHBondContact CE2-O 3.29Å; Y185-P295 HydrophobicContact CG-CB 3.79Å; Y185-P295 HydrophobicContact CG-CG 3.38Å; Y185-I329 HydrophobicContact CD1-CD1 4.19Å; Y185-I329 HydrophobicContact CD1-CG2 4.4Å; Y185-I329 HydrophobicContact CD2-CD1 4.34Å; Y185-I329 HydrophobicContact CE1-CD1 3.71Å; Y185-I329 HydrophobicContact CE1-CG1 4.13Å; Y185-I329 HydrophobicContact CE1-CG2 3.77Å; Y185-I329 HydrophobicContact CE2-CD1 3.88Å; Y185-I329 HydrophobicContact CG-CD1 4.48Å; Y185-L382 HydrophobicContact CE2-CD1 4.24Å
186V94.4Very high92.9Very high58 Ų5848.5 Ų48.535%0.35225%0.251SS..G310 helixtrans-61.7-25.2179.7-62.30000112.6R182 C188 T189 L192 N261R182-V186 VanDerWaalsContact O-CA 3.27Å; R182-V186 WeakPolarHBondContact O-CA 3.47Å; R182-V186 WeakPolarHBondContact O-CG1 3.27Å; R182-V186 PolarHBondContact O-N 3.04Å; V186-C188 PolarHBondContact O-N 3.36Å; V186-T189 VanDerWaalsContact O-CB 3.32Å; V186-T189 WeakPolarHBondContact O-CB 3.43Å; V186-T189 VanDerWaalsContact O-CG2 3.31Å; V186-T189 WeakPolarHBondContact O-CG2 3.31Å; V186-T189 PolarHBondContact O-N 3.24Å; V186-T189 VanDerWaalsContact O-N 3.09Å; V186-T189 PolarHBondContact O-OG1 3.49Å; V186-L192 HydrophobicContact CB-CD2 4.39Å; V186-L192 HydrophobicContact CG2-CD2 3.74Å; V186-N261 VanDerWaalsContact CG2-OD1 3.32Å; V186-N261 WeakPolarHBondContact CG2-OD1 3.08Å; V186-N261 PolarHBondContact N-OD1 2.71Å
187G93.8Very high92.7Very high0 Ų050.4 Ų50.40%026%0.26CS..G310 helixtrans-63.8-21.8173.800000114.3Y185 T189 N193 N261 F288Y185-G187 PolarHBondContact O-N 3.22Å; Y185-G187 VanDerWaalsContact O-N 3.16Å; G187-T189 PolarHBondContact O-N 3.01Å; G187-N193 PolarHBondContact O-ND2 3.24Å; G187-N261 PolarHBondContact N-OD1 3.1Å; G187-F288 VanDerWaalsContact C-CD2 3.5Å
188C94.7Very high92.5Very high16 Ų1655.3 Ų55.311%0.10828%0.28CS..G310 helixtrans-76.7-4.5175.389.80000112.5Y185 V186 G287 F288 P295Y185-C188 PolarHBondContact O-N 3.25Å; Y185-C188 PolarHBondContact O-SG 2.85Å; V186-C188 PolarHBondContact O-N 3.36Å; C188-G287 WeakPolarHBondContact CA-O 3.29Å; C188-F288 HydrophobicContact CB-CD2 3.97Å; C188-F288 HydrophobicContact CB-CE2 3.85Å; C188-P295 HydrophobicContact CB-CG 3.92Å
189T92.1Very high92.6Very high33 Ų3355.1 Ų55.120%0.20228%0.284CS..SBendtrans-79.414617870.20000110.6R182 V186 G187 I191 L192 N193R182-T189 HydrophobicContact CB-CG2 4.15Å; R182-T189 HydrophobicContact CG-CG2 4.29Å; V186-T189 VanDerWaalsContact O-CB 3.32Å; V186-T189 WeakPolarHBondContact O-CB 3.43Å; V186-T189 VanDerWaalsContact O-CG2 3.31Å; V186-T189 WeakPolarHBondContact O-CG2 3.31Å; V186-T189 PolarHBondContact O-N 3.24Å; V186-T189 VanDerWaalsContact O-N 3.09Å; V186-T189 PolarHBondContact O-OG1 3.49Å; G187-T189 PolarHBondContact O-N 3.01Å; T189-I191 PolarHBondContact O-N 3.12Å; T189-L192 PolarHBondContact O-N 3.06Å; T189-L192 PolarHBondContact OG1-N 3.39Å; T189-N193 WeakPolarHBondContact O-CB 3.44Å; T189-N193 PolarHBondContact O-N 3.12Å; T189-N193 VanDerWaalsContact O-N 3.14Å; T189-N193 PolarHBondContact O-ND2 3.39Å; T189-N193 VanDerWaalsContact O-ND2 3.11Å
190W88.4Confident92.8Very high166 Ų16651.2 Ų51.263%0.62926%0.264SS*.Hα-helixtrans-59-33.6175.6175.380.2000112.3I49 S194I49-W190 HydrophobicContact CG1-CH2 4.16Å; W190-S194 VanDerWaalsContact CE2-OG 3.32Å; W190-S194 PolarHBondContact NE1-OG 3.43Å; W190-S194 WeakPolarHBondContact O-CB 3.17Å; W190-S194 PolarHBondContact O-N 3.43Å; W190-S194 PolarHBondContact O-OG 3.49Å
191I89.6Confident92.6Very high110 Ų11052 Ų5256%0.56427%0.266SS*.Hα-helixtrans-63.4-54.5-178.6-61.6169.5000109.9T189 S194 L195T189-I191 PolarHBondContact O-N 3.12Å; I191-S194 PolarHBondContact O-N 2.95Å; I191-L195 HydrophobicContact CG2-CD1 3.87Å; I191-L195 HydrophobicContact CG2-CG 4.39Å; I191-L195 WeakPolarHBondContact O-CG 3.38Å; I191-L195 PolarHBondContact O-N 2.94Å
192L92.1Very high92.2Very high46 Ų4656.3 Ų56.324%0.24129%0.288CS..Hα-helixtrans-69.9-37.1-176.6-167.755.7000112.1V186 T189 S194 L195 T196V186-L192 HydrophobicContact CB-CD2 4.39Å; V186-L192 HydrophobicContact CG2-CD2 3.74Å; T189-L192 PolarHBondContact O-N 3.06Å; T189-L192 PolarHBondContact OG1-N 3.39Å; L192-S194 VanDerWaalsContact C-N 3.26Å; L192-S194 PolarHBondContact O-N 3.06Å; L192-L195 PolarHBondContact O-N 3.39Å; L192-T196 HydrophobicContact CD1-CG2 3.97Å; L192-T196 HydrophobicContact CG-CG2 4.37Å; L192-T196 WeakPolarHBondContact O-CB 3.32Å; L192-T196 WeakPolarHBondContact O-CG2 3.33Å; L192-T196 PolarHBondContact O-N 3.15Å; L192-T196 PolarHBondContact O-OG1 2.84Å
193N92.5Very high92.2Very high22 Ų2253.7 Ų53.712%0.11828%0.278CS..Hα-helixtrans-56.9-40.6171.2-90.2-61.3000112.6G187 T189 T196 F197 R200 G287 G289G187-N193 PolarHBondContact O-ND2 3.24Å; T189-N193 WeakPolarHBondContact O-CB 3.44Å; T189-N193 PolarHBondContact O-N 3.12Å; T189-N193 VanDerWaalsContact O-N 3.14Å; T189-N193 PolarHBondContact O-ND2 3.39Å; T189-N193 VanDerWaalsContact O-ND2 3.11Å; N193-T196 PolarHBondContact O-OG1 3.11Å; N193-F197 WeakPolarHBondContact O-CB 3.46Å; N193-F197 PolarHBondContact O-N 2.87Å; N193-R200 PolarHBondContact O-NH2 2.81Å; N193-R200 VanDerWaalsContact O-NH2 3.14Å; N193-G287 PolarHBondContact ND2-O 3.18Å; N193-G289 PolarHBondContact OD1-N 2.76Å
194S88.6Confident92.1Very high50 Ų5051.2 Ų51.235%0.3527%0.265SS..Hα-helixtrans-74.2-43.7-179.3-61.70000112.2W190 I191 L192 T196 F197W190-S194 VanDerWaalsContact CE2-OG 3.32Å; W190-S194 PolarHBondContact NE1-OG 3.43Å; W190-S194 WeakPolarHBondContact O-CB 3.17Å; W190-S194 PolarHBondContact O-N 3.43Å; W190-S194 PolarHBondContact O-OG 3.49Å; I191-S194 PolarHBondContact O-N 2.95Å; L192-S194 VanDerWaalsContact C-N 3.26Å; L192-S194 PolarHBondContact O-N 3.06Å; S194-T196 PolarHBondContact O-N 2.95Å; S194-F197 VanDerWaalsContact O-CB 3.26Å; S194-F197 WeakPolarHBondContact O-CB 3.3Å; S194-F197 PolarHBondContact O-N 3.11Å
195L91.9Very high91.7Very high134 Ų13452.6 Ų52.670%0.70228%0.275SS*.Hα-helixtrans-64.8-39.5-179.9-72.1174.6000112.2I191 L192 F197I191-L195 HydrophobicContact CG2-CD1 3.87Å; I191-L195 HydrophobicContact CG2-CG 4.39Å; I191-L195 WeakPolarHBondContact O-CG 3.38Å; I191-L195 PolarHBondContact O-N 2.94Å; L192-L195 PolarHBondContact O-N 3.39Å; L195-F197 VanDerWaalsContact C-N 3.32Å
196T93.7Very high91.5Very high23 Ų2359.8 Ų59.814%0.14130%0.303CS..Hα-helixtrans-81.5-13179.259.40000113.3L192 N193 S194 K198 A199 R200 Y264L192-T196 HydrophobicContact CD1-CG2 3.97Å; L192-T196 HydrophobicContact CG-CG2 4.37Å; L192-T196 WeakPolarHBondContact O-CB 3.32Å; L192-T196 WeakPolarHBondContact O-CG2 3.33Å; L192-T196 PolarHBondContact O-N 3.15Å; L192-T196 PolarHBondContact O-OG1 2.84Å; N193-T196 PolarHBondContact O-OG1 3.11Å; S194-T196 PolarHBondContact O-N 2.95Å; T196-K198 PolarHBondContact O-N 3.42Å; T196-A199 PolarHBondContact O-N 3.26Å; T196-A199 VanDerWaalsContact O-N 3.15Å; T196-R200 WeakPolarHBondContact O-CG 3.4Å; T196-R200 PolarHBondContact O-N 3.19Å; T196-R200 PolarHBondContact OG1-NE 2.94Å; T196-Y264 HydrophobicContact CG2-CE2 3.87Å; T196-Y264 PolarHBondContact OG1-OH 3.44Å
197F91.1Very high91.4Very high40 Ų4057.1 Ų57.118%0.17529%0.286CS..Hα-helixtrans-51-52.6-169.4-175.7-112.1000112.9H18 S134 N193 S194 L195 A199 R200 L201H18-F197 AromaticContact CD2-CZ 3.64Å; H18-F197 AromaticContact CE1-CE1 3.65Å; H18-F197 AromaticContact CE1-CZ 3.75Å; H18-F197 AromaticContact NE2-CE1 3.64Å; H18-F197 AromaticContact NE2-CZ 3.24Å; H18-F197 WeakPolarHBondContact NE2-CZ 3.5Å; S134-F197 WeakPolarHBondContact OG-CE2 3.17Å; S134-F197 VanDerWaalsContact OG-CZ 3.27Å; S134-F197 WeakPolarHBondContact OG-CZ 3.49Å; N193-F197 WeakPolarHBondContact O-CB 3.46Å; N193-F197 PolarHBondContact O-N 2.87Å; S194-F197 VanDerWaalsContact O-CB 3.26Å; S194-F197 WeakPolarHBondContact O-CB 3.3Å; S194-F197 PolarHBondContact O-N 3.11Å; L195-F197 VanDerWaalsContact C-N 3.32Å; F197-A199 PolarHBondContact O-N 3.13Å; F197-R200 PolarHBondContact O-N 2.63Å; F197-L201 HydrophobicContact CD1-CD1 4.16Å; F197-L201 HydrophobicContact CD1-CG 4.35Å; F197-L201 HydrophobicContact CE1-CD1 3.54Å; F197-L201 HydrophobicContact CE1-CD2 4.27Å; F197-L201 HydrophobicContact CE1-CG 3.99Å; F197-L201 HydrophobicContact CE2-CD2 3.97Å; F197-L201 HydrophobicContact CE2-CG 4.38Å; F197-L201 HydrophobicContact CZ-CD1 3.82Å; F197-L201 HydrophobicContact CZ-CD2 3.73Å; F197-L201 HydrophobicContact CZ-CG 3.97Å; F197-L201 WeakPolarHBondContact O-CG 3.41Å; F197-L201 PolarHBondContact O-N 3.05Å
198K90.3Very high91.2Very high151 Ų15159.7 Ų59.766%0.65730%0.298SS*.Hα-helixtrans-61.9-46.4-178.7-175.7176.4179.2-178.20112.4T196 R200 L201 D202T196-K198 PolarHBondContact O-N 3.42Å; K198-R200 VanDerWaalsContact C-N 3.27Å; K198-R200 PolarHBondContact O-N 2.87Å; K198-L201 WeakPolarHBondContact O-CB 3.4Å; K198-L201 PolarHBondContact O-N 3.38Å; K198-L201 VanDerWaalsContact O-N 3.13Å; K198-D202 PolarHBondContact O-N 2.96Å
199A93.9Very high90.9Very high51 Ų5166.4 Ų66.442%0.42133%0.33SS..Hα-helixtrans-60.8-38.4178.600000111.8T196 F197 A203T196-A199 PolarHBondContact O-N 3.26Å; T196-A199 VanDerWaalsContact O-N 3.15Å; F197-A199 PolarHBondContact O-N 3.13Å; A199-A203 VanDerWaalsContact O-CB 3.26Å; A199-A203 WeakPolarHBondContact O-CB 3.23Å; A199-A203 PolarHBondContact O-N 2.64Å
200R93.8Very high90.9Very high4 Ų471.6 Ų71.62%0.01535%0.35CS..Hα-helixtrans-64.8-43.8173.9-66.7-176.1-60.3114.7-10.9111.7N193 T196 F197 K198 D202 A203 R204 Y264 E266 I267N193-R200 PolarHBondContact O-NH2 2.81Å; N193-R200 VanDerWaalsContact O-NH2 3.14Å; T196-R200 WeakPolarHBondContact O-CG 3.4Å; T196-R200 PolarHBondContact O-N 3.19Å; T196-R200 PolarHBondContact OG1-NE 2.94Å; F197-R200 PolarHBondContact O-N 2.63Å; K198-R200 VanDerWaalsContact C-N 3.27Å; K198-R200 PolarHBondContact O-N 2.87Å; R200-D202 PolarHBondContact O-N 2.79Å; R200-A203 PolarHBondContact O-N 2.79Å; R200-R204 WeakPolarHBondContact O-CG 3.38Å; R200-R204 PolarHBondContact O-N 2.94Å; R200-Y264 HydrophobicContact CG-CG 4.31Å; R200-E266 HydrophobicContact CB-CB 4.09Å; R200-E266 HydrophobicContact CB-CG 4.14Å; R200-E266 HydrophobicContact CG-CB 4.21Å; R200-E266 IonicContact NH1-OE1 3.02Å; R200-E266 PolarHBondContact NH1-OE1 2.61Å; R200-E266 VanDerWaalsContact NH1-OE1 3.12Å; R200-I267 HydrophobicContact CG-CD1 3.98Å; R200-I267 HydrophobicContact CG-CG1 4.19Å
201L89.3Confident91.1Very high27 Ų2765.3 Ų65.314%0.14133%0.326CS..Hα-helixtrans-55.1-53.2175.1-65-166.7000111.8H18 T132 F197 K198 A203 R204 S205H18-L201 HydrophobicContact CB-CD1 4.48Å; T132-L201 HydrophobicContact CG2-CD1 4.02Å; T132-L201 HydrophobicContact CG2-CD2 3.5Å; T132-L201 HydrophobicContact CG2-CG 4.3Å; F197-L201 HydrophobicContact CD1-CD1 4.16Å; F197-L201 HydrophobicContact CD1-CG 4.35Å; F197-L201 HydrophobicContact CE1-CD1 3.54Å; F197-L201 HydrophobicContact CE1-CD2 4.27Å; F197-L201 HydrophobicContact CE1-CG 3.99Å; F197-L201 HydrophobicContact CE2-CD2 3.97Å; F197-L201 HydrophobicContact CE2-CG 4.38Å; F197-L201 HydrophobicContact CZ-CD1 3.82Å; F197-L201 HydrophobicContact CZ-CD2 3.73Å; F197-L201 HydrophobicContact CZ-CG 3.97Å; F197-L201 WeakPolarHBondContact O-CG 3.41Å; F197-L201 PolarHBondContact O-N 3.05Å; K198-L201 WeakPolarHBondContact O-CB 3.4Å; K198-L201 PolarHBondContact O-N 3.38Å; K198-L201 VanDerWaalsContact O-N 3.13Å; L201-A203 VanDerWaalsContact C-N 3.27Å; L201-A203 PolarHBondContact O-N 3.5Å; L201-R204 PolarHBondContact O-N 3.27Å; L201-S205 PolarHBondContact O-N 3.32Å; L201-S205 PolarHBondContact O-OG 2.82Å
202D89.4Confident91.2Very high89 Ų8965 Ų6548%0.47633%0.325SS..Hα-helixtrans-62.1-38.5-178.5-65.8-22.3000111.2K198 R200 S205 R206K198-D202 PolarHBondContact O-N 2.96Å; R200-D202 PolarHBondContact O-N 2.79Å; D202-S205 PolarHBondContact O-N 3.23Å; D202-R206 WeakPolarHBondContact O-CG 3.26Å; D202-R206 PolarHBondContact O-N 2.79Å
203A93.2Very high91.3Very high0 Ų063.2 Ų63.20%032%0.316CS..Hα-helixtrans-70.2-37.7178.400000113.2A199 R200 L201 S205 R206 L207 E266 I267 W271A199-A203 VanDerWaalsContact O-CB 3.26Å; A199-A203 WeakPolarHBondContact O-CB 3.23Å; A199-A203 PolarHBondContact O-N 2.64Å; R200-A203 PolarHBondContact O-N 2.79Å; L201-A203 VanDerWaalsContact C-N 3.27Å; L201-A203 PolarHBondContact O-N 3.5Å; A203-S205 VanDerWaalsContact C-N 3.34Å; A203-S205 PolarHBondContact O-N 3.07Å; A203-R206 PolarHBondContact O-N 3.22Å; A203-L207 WeakPolarHBondContact O-CB 3.33Å; A203-L207 WeakPolarHBondContact O-CG 3.18Å; A203-L207 PolarHBondContact O-N 3.27Å; A203-E266 HydrophobicContact CB-CB 4.36Å; A203-E266 WeakPolarHBondContact CB-O 3.36Å; A203-I267 HydrophobicContact CB-CG2 3.37Å; A203-W271 HydrophobicContact CB-CZ2 4.37Å
204R90.2Very high91.3Very high32 Ų3264 Ų6412%0.12132%0.319CS..Hα-helixtrans-58.1-46.2172.4-70.9-175.6-53-178.216.1111.7R200 L201 R206 L207 Q208 E227 F229 E266R200-R204 WeakPolarHBondContact O-CG 3.38Å; R200-R204 PolarHBondContact O-N 2.94Å; L201-R204 PolarHBondContact O-N 3.27Å; R204-R206 VanDerWaalsContact C-N 3.28Å; R204-R206 PolarHBondContact O-N 3.15Å; R204-L207 PolarHBondContact O-N 3.01Å; R204-Q208 WeakPolarHBondContact O-CB 3.27Å; R204-Q208 PolarHBondContact O-N 2.86Å; R204-E227 IonicContact NH1-OE1 3.19Å; R204-F229 HydrophobicContact CG-CE1 4.13Å; R204-E266 HydrophobicContact CG-CB 4.06Å; R204-E266 HydrophobicContact CG-CG 3.28Å
205S86.9Confident91.5Very high53 Ų5362.5 Ų62.537%0.37131%0.306SS..Hα-helixtrans-58.9-42177.1-59.90000111.5L201 D202 A203 M209L201-S205 PolarHBondContact O-N 3.32Å; L201-S205 PolarHBondContact O-OG 2.82Å; D202-S205 PolarHBondContact O-N 3.23Å; A203-S205 VanDerWaalsContact C-N 3.34Å; A203-S205 PolarHBondContact O-N 3.07Å; S205-M209 VanDerWaalsContact O-CB 3.31Å; S205-M209 WeakPolarHBondContact O-CB 3.4Å; S205-M209 WeakPolarHBondContact O-CG 3.44Å; S205-M209 PolarHBondContact O-N 2.89Å
206R91Very high91.6Very high151 Ų15156.2 Ų56.257%0.5727%0.273SS*.Hα-helixtrans-66.9-41.9176-68.4-172.9-61.8163.23.7112.9D202 A203 R204 M209 K210 W271D202-R206 WeakPolarHBondContact O-CG 3.26Å; D202-R206 PolarHBondContact O-N 2.79Å; A203-R206 PolarHBondContact O-N 3.22Å; R204-R206 VanDerWaalsContact C-N 3.28Å; R204-R206 PolarHBondContact O-N 3.15Å; R206-M209 PolarHBondContact O-N 2.82Å; R206-K210 WeakPolarHBondContact O-CB 2.95Å; R206-K210 PolarHBondContact O-N 3.22Å; R206-W271 HydrophobicContact CB-CH2 3.91Å
207L93.2Very high91.7Very high2 Ų255.1 Ų55.11%0.0127%0.266CS..Hα-helixtrans-65-42177.8-73.3172.6000111.8A203 R204 Y211 N212 I213 E266 W271 L274A203-L207 WeakPolarHBondContact O-CB 3.33Å; A203-L207 WeakPolarHBondContact O-CG 3.18Å; A203-L207 PolarHBondContact O-N 3.27Å; R204-L207 PolarHBondContact O-N 3.01Å; L207-Y211 HydrophobicContact CD2-CD2 3.97Å; L207-Y211 HydrophobicContact CD2-CE2 4.36Å; L207-Y211 CarbonylContact O-C 3.55Å; L207-Y211 WeakPolarHBondContact O-CA 3.13Å; L207-Y211 PolarHBondContact O-N 2.76Å; L207-N212 PolarHBondContact O-N 3.26Å; L207-I213 HydrophobicContact CB-CB 4.09Å; L207-I213 HydrophobicContact CB-CD1 3.83Å; L207-I213 HydrophobicContact CB-CG1 4.37Å; L207-I213 HydrophobicContact CD1-CD1 4.07Å; L207-I213 HydrophobicContact CD2-CD1 3.77Å; L207-I213 HydrophobicContact CG-CD1 4.09Å; L207-I213 PolarHBondContact O-N 2.73Å; L207-E266 WeakPolarHBondContact CD1-O 3.39Å; L207-W271 HydrophobicContact CD1-CZ2 4.21Å; L207-W271 HydrophobicContact CD2-CD2 3.77Å; L207-W271 VanDerWaalsContact CD2-CE2 3.47Å; L207-W271 HydrophobicContact CD2-CE3 3.96Å; L207-W271 HydrophobicContact CD2-CH2 3.61Å; L207-W271 HydrophobicContact CD2-CZ2 3.41Å; L207-W271 VanDerWaalsContact CD2-CZ2 3.41Å; L207-W271 HydrophobicContact CD2-CZ3 3.88Å; L207-W271 HydrophobicContact CG-CH2 3.92Å; L207-W271 HydrophobicContact CG-CZ2 3.5Å; L207-W271 VanDerWaalsContact CG-CZ2 3.5Å; L207-L274 HydrophobicContact CD2-CD1 3.88Å
208Q88.8Confident92.1Very high54 Ų5453.2 Ų53.225%0.25226%0.258SS..Hα-helixtrans-62-49.7173.7-178.970.167.900111R204 N212 I213R204-Q208 WeakPolarHBondContact O-CB 3.27Å; R204-Q208 PolarHBondContact O-N 2.86Å; Q208-N212 PolarHBondContact NE2-OD1 3.16Å; Q208-N212 WeakPolarHBondContact O-CA 3.32Å; Q208-N212 PolarHBondContact O-N 3.05Å; Q208-I213 VanDerWaalsContact CD-O 3.23Å; Q208-I213 PolarHBondContact OE1-O 2.85Å
209M88Confident92.4Very high157 Ų15747.2 Ų47.277%0.77323%0.233SC*.Hα-helixtrans-64.4-42.7-178.6-75.5-87.3-73.800112.9S205 R206S205-M209 VanDerWaalsContact O-CB 3.31Å; S205-M209 WeakPolarHBondContact O-CB 3.4Å; S205-M209 WeakPolarHBondContact O-CG 3.44Å; S205-M209 PolarHBondContact O-N 2.89Å; R206-M209 PolarHBondContact O-N 2.82Å
210K92.6Very high92.6Very high142 Ų14244.9 Ų44.962%0.61721%0.213SC*.Hα-helixtrans-86.6-36.9-172.8-170.1176.6-179.9-167.20113.3R206R206-K210 WeakPolarHBondContact O-CB 2.95Å; R206-K210 PolarHBondContact O-N 3.22Å
211Y93.5Very high92.6Very high33 Ų3348 Ų4813%0.12923%0.225CC..Hα-helixtrans-127.54.9-169.9-57-60.4000113.8L207 I213 R233 W271 L274L207-Y211 HydrophobicContact CD2-CD2 3.97Å; L207-Y211 HydrophobicContact CD2-CE2 4.36Å; L207-Y211 CarbonylContact O-C 3.55Å; L207-Y211 WeakPolarHBondContact O-CA 3.13Å; L207-Y211 PolarHBondContact O-N 2.76Å; Y211-I213 PolarHBondContact O-N 3.45Å; Y211-R233 VanDerWaalsContact CD1-NH1 3.34Å; Y211-W271 HydrophobicContact CE2-CE3 4.04Å; Y211-W271 AromaticContact CE2-CZ3 3.96Å; Y211-W271 HydrophobicContact CE2-CZ3 3.96Å; Y211-L274 HydrophobicContact CD1-CB 4.27Å; Y211-L274 HydrophobicContact CD2-CB 4.03Å; Y211-L274 HydrophobicContact CD2-CD1 3.7Å; Y211-L274 HydrophobicContact CD2-CG 4.3Å; Y211-L274 HydrophobicContact CE1-CB 4.15Å; Y211-L274 HydrophobicContact CE2-CB 3.88Å; Y211-L274 HydrophobicContact CE2-CD1 4.09Å; Y211-L274 HydrophobicContact CG-CB 4.2Å; Y211-L274 HydrophobicContact CG-CD1 4.19Å; Y211-L274 HydrophobicContact CG-CD2 4.19Å; Y211-L274 HydrophobicContact CG-CG 4.42Å
212N91.3Very high92.8Very high103 Ų10352.3 Ų52.355%0.55124%0.244SC*.  trans53.635.8-176.8-166.442.1000113.2L207 Q208 Q214L207-N212 PolarHBondContact O-N 3.26Å; Q208-N212 PolarHBondContact NE2-OD1 3.16Å; Q208-N212 WeakPolarHBondContact O-CA 3.32Å; Q208-N212 PolarHBondContact O-N 3.05Å; N212-Q214 PolarHBondContact O-N 3.11Å
213I93.5Very high93.2Very high9 Ų949.3 Ų49.35%0.04624%0.235CC..PPolyproline II helixtrans-63.5128.3175.9-81.5179.1000110.1L207 Q208 Y211 F229 Y230 A231 L274L207-I213 HydrophobicContact CB-CB 4.09Å; L207-I213 HydrophobicContact CB-CD1 3.83Å; L207-I213 HydrophobicContact CB-CG1 4.37Å; L207-I213 HydrophobicContact CD1-CD1 4.07Å; L207-I213 HydrophobicContact CD2-CD1 3.77Å; L207-I213 HydrophobicContact CG-CD1 4.09Å; L207-I213 PolarHBondContact O-N 2.73Å; Q208-I213 VanDerWaalsContact CD-O 3.23Å; Q208-I213 PolarHBondContact OE1-O 2.85Å; Y211-I213 PolarHBondContact O-N 3.45Å; I213-F229 HydrophobicContact CG2-CB 3.74Å; I213-F229 HydrophobicContact CG2-CD1 4.29Å; I213-F229 HydrophobicContact CG2-CG 4.48Å; I213-Y230 CarbonylContact C-O 3.58Å; I213-Y230 VanDerWaalsContact CA-O 3.3Å; I213-Y230 WeakPolarHBondContact CA-O 3.43Å; I213-A231 HydrophobicContact CG1-CB 3.65Å; I213-L274 HydrophobicContact CD1-CD1 3.41Å; I213-L274 VanDerWaalsContact CD1-CD1 3.41Å; I213-L274 HydrophobicContact CD1-CD2 4.41Å; I213-L274 HydrophobicContact CG1-CD1 4.41Å
214Q92.3Very high93.3Very high40 Ų4051 Ų5119%0.18724%0.242CC..EExtended strand (participates in β ladder)trans-98.8136.5174.5-62.6-169.9-23.800111.2N212 F229 Y230N212-Q214 PolarHBondContact O-N 3.11Å; Q214-F229 CarbonylContact O-C 3.56Å; Q214-F229 VanDerWaalsContact O-CA 3.27Å; Q214-F229 WeakPolarHBondContact O-CA 3.5Å; Q214-Y230 HydrophobicContact CB-CD1 4.02Å; Q214-Y230 HydrophobicContact CB-CE1 3.62Å; Q214-Y230 HydrophobicContact CG-CE1 4.36Å; Q214-Y230 PolarHBondContact N-O 2.99Å; Q214-Y230 PolarHBondContact O-N 2.87Å; Q214-Y230 VanDerWaalsContact OE1-CZ 3.23Å; Q214-Y230 PolarHBondContact OE1-OH 3.18Å
215R93.7Very high93.7Very high18 Ų1850.1 Ų50.17%0.06824%0.24CC..EExtended strand (participates in β ladder)trans-80.5134.2168-176.4178.6-176.4-153.3-5.8109.8F133 S135 W137 E227 F229F133-R215 PolarHBondContact O-NH1 3.22Å; S135-R215 PolarHBondContact O-NH2 2.74Å; W137-R215 HydrophobicContact CD2-CG 4Å; W137-R215 HydrophobicContact CE3-CG 4.29Å; W137-R215 VanDerWaalsContact CE3-CZ 3.47Å; W137-R215 HydrophobicContact CG-CG 4.15Å; W137-R215 VanDerWaalsContact CZ3-NH1 3.28Å; W137-R215 PolarHBondContact NE1-O 3.41Å; R215-E227 IonicContact CZ-OE1 2.64Å; R215-E227 IonicContact NE-OE1 3.22Å; R215-E227 PolarHBondContact NE-OE1 2.6Å; R215-E227 IonicContact NH2-OE1 3.72Å; R215-E227 PolarHBondContact NH2-OE1 2.72Å; R215-F229 HydrophobicContact CB-CD1 3.9Å; R215-F229 HydrophobicContact CB-CE1 3.75Å; R215-F229 HydrophobicContact CG-CD1 4.1Å; R215-F229 HydrophobicContact CG-CE1 3.57Å; R215-F229 HydrophobicContact CG-CZ 4.2Å
216I94.5Very high94.3Very high2 Ų247.7 Ų47.71%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-135.8158179.859.2174.7000110.9H140 L218 A228 Y230 L281 F310H140-I216 HydrophobicContact CB-CB 4.27Å; H140-I216 HydrophobicContact CB-CG2 4.38Å; I216-L218 HydrophobicContact CD1-CD2 3.98Å; I216-L218 HydrophobicContact CD1-CG 4.48Å; I216-L218 HydrophobicContact CG1-CD2 4.48Å; I216-A228 HydrophobicContact CD1-CB 4.1Å; I216-A228 HydrophobicContact CG1-CB 3.8Å; I216-A228 WeakPolarHBondContact CG1-O 3.24Å; I216-A228 PolarHBondContact N-O 2.87Å; I216-A228 PolarHBondContact O-N 3.28Å; I216-Y230 HydrophobicContact CD1-CD1 3.84Å; I216-Y230 HydrophobicContact CD1-CE1 4.45Å; I216-Y230 HydrophobicContact CG1-CD1 4.31Å; I216-Y230 HydrophobicContact CG2-CD1 3.77Å; I216-Y230 HydrophobicContact CG2-CE1 3.57Å; I216-L281 HydrophobicContact CD1-CD1 4.19Å; I216-F310 HydrophobicContact CD1-CD1 3.74Å; I216-F310 HydrophobicContact CD1-CD2 4.45Å; I216-F310 HydrophobicContact CD1-CE1 3.22Å; I216-F310 HydrophobicContact CD1-CE2 3.99Å; I216-F310 HydrophobicContact CD1-CG 4.33Å; I216-F310 HydrophobicContact CD1-CZ 3.37Å; I216-F310 HydrophobicContact CG2-CZ 4.49Å
217G96.1Very high94.6Very high0 Ų040.5 Ų40.50%020%0.195CC..EExtended strand (participates in β ladder)trans-115.8133.7172.800000110.4P138 V139 H140 F225P138-G217 PolarHBondContact O-N 2.85Å; V139-G217 CarbonylContact C-O 3.57Å; V139-G217 WeakPolarHBondContact CA-O 3.45Å; H140-G217 PolarHBondContact N-O 2.82Å; G217-F225 VanDerWaalsContact CA-CE2 3.42Å
218L97.9Very high94.8Very high0 Ų040.4 Ų40.40%020%0.195CC..EExtended strand (participates in β ladder)trans-121147.3179.2-47.7174000109.6F141 I216 F225 V226 A228 A306 C307 F310F141-L218 HydrophobicContact CB-CD2 3.73Å; F141-L218 HydrophobicContact CD1-CD2 4.35Å; F141-L218 HydrophobicContact CG-CD2 4.49Å; F141-L218 CarbonylContact O-C 3.59Å; F141-L218 WeakPolarHBondContact O-CA 3.39Å; I216-L218 HydrophobicContact CD1-CD2 3.98Å; I216-L218 HydrophobicContact CD1-CG 4.48Å; I216-L218 HydrophobicContact CG1-CD2 4.48Å; L218-F225 WeakPolarHBondContact O-CA 3.41Å; L218-V226 HydrophobicContact CB-CB 4.26Å; L218-V226 PolarHBondContact N-O 3.47Å; L218-V226 PolarHBondContact O-N 3.5Å; L218-A228 HydrophobicContact CD1-CB 3.97Å; L218-A228 HydrophobicContact CG-CB 4.44Å; L218-A306 HydrophobicContact CB-CB 4.25Å; L218-A306 HydrophobicContact CD1-CB 4.44Å; L218-C307 HydrophobicContact CD1-CB 4.28Å; L218-C307 VanDerWaalsContact CD1-SG 3.56Å; L218-F310 HydrophobicContact CD1-CB 4.43Å; L218-F310 HydrophobicContact CD2-CB 3.95Å; L218-F310 HydrophobicContact CD2-CD2 3.76Å; L218-F310 HydrophobicContact CD2-CE2 4.35Å; L218-F310 HydrophobicContact CD2-CG 3.83Å
219L98.1Very high95.2Very high25 Ų2538.3 Ų38.313%0.13119%0.185CC..EExtended strand (participates in β ladder)trans-110.8129.1167.9-67.7179.7000110.9V139 F141 D142 V143 E224 F225V139-L219 HydrophobicContact CB-CD1 4.4Å; V139-L219 HydrophobicContact CB-CG 4.31Å; V139-L219 HydrophobicContact CG1-CB 4.27Å; V139-L219 HydrophobicContact CG1-CD1 3.79Å; V139-L219 HydrophobicContact CG1-CG 3.58Å; V139-L219 HydrophobicContact CG2-CD1 3.9Å; V139-L219 HydrophobicContact CG2-CD2 4.07Å; V139-L219 HydrophobicContact CG2-CG 3.72Å; F141-L219 PolarHBondContact O-N 3.12Å; D142-L219 HydrophobicContact CB-CB 4.28Å; D142-L219 HydrophobicContact CB-CD1 4.5Å; V143-L219 WeakPolarHBondContact CB-O 3.38Å; V143-L219 VanDerWaalsContact CG2-O 3.23Å; V143-L219 WeakPolarHBondContact CG2-O 3.38Å; V143-L219 PolarHBondContact N-O 2.87Å; L219-E224 WeakPolarHBondContact CA-O 3.02Å; L219-F225 HydrophobicContact CD2-CB 4.13Å; L219-F225 HydrophobicContact CD2-CD2 4.29Å
220T98.1Very high95.7Very high1 Ų132.5 Ų32.51%0.00616%0.155CC..  trans-71.3174.4176.371.40000112E222 G223 E224 V226 N302 A306T220-E222 PolarHBondContact O-N 3.03Å; T220-E222 VanDerWaalsContact O-N 3.11Å; T220-E222 PolarHBondContact OG1-N 3.05Å; T220-G223 PolarHBondContact O-N 2.84Å; T220-G223 PolarHBondContact OG1-N 2.61Å; T220-E224 HydrophobicContact CG2-CB 4.27Å; T220-E224 PolarHBondContact N-O 3.21Å; T220-E224 PolarHBondContact OG1-N 3.04Å; T220-V226 HydrophobicContact CG2-CG2 3.66Å; T220-N302 HydrophobicContact CG2-CB 4.03Å; T220-N302 WeakPolarHBondContact CG2-O 3.21Å; T220-A306 HydrophobicContact CG2-CB 4.36Å
221R93.7Very high95.9Very high69 Ų6925.9 Ų25.926%0.2613%0.127SC..THydrogen-bonded Turntrans-52.5-31.7172.3-64.4-171-170.4-151.31112.7V143 R144 K152 E305V143-R221 HydrophobicContact CG1-CG 3.65Å; R144-R221 WeakPolarHBondContact CG-O 3.13Å; K152-R221 PolarHBondContact O-NH1 2.72Å; K152-R221 PolarHBondContact O-NH2 3.15Å; R221-E305 IonicContact CZ-OE1 3.38Å; R221-E305 IonicContact CZ-OE2 2.89Å; R221-E305 IonicContact NE-OE1 2.71Å; R221-E305 IonicContact NE-OE2 3.46Å; R221-E305 PolarHBondContact NE-OE2 3.31Å; R221-E305 IonicContact NH2-OE1 3.14Å; R221-E305 PolarHBondContact NH2-OE1 3.41Å; R221-E305 IonicContact NH2-OE2 3.42Å
222E93.9Very high96Very high118 Ų11827.3 Ų27.355%0.55114%0.136SC*.THydrogen-bonded Turntrans-941.8179.8-59.1-144.914500113.8T220 K299T220-E222 PolarHBondContact O-N 3.03Å; T220-E222 VanDerWaalsContact O-N 3.11Å; T220-E222 PolarHBondContact OG1-N 3.05Å; E222-K299 IonicContact OE2-NZ 3.79Å; E222-K299 PolarHBondContact OE2-NZ 3.36Å
223G95.9Very high96.1Very high27 Ų2727 Ų2728%0.27813%0.128SC..  trans78.316.9179.700000114.5T220T220-G223 PolarHBondContact O-N 2.84Å; T220-G223 PolarHBondContact OG1-N 2.61Å
224E97Very high96.2Very high34 Ų3429.3 Ų29.316%0.15914%0.136CC..  trans-74.3141.7167.9-74.9167.8134.600110.1L219 T220 K299L219-E224 WeakPolarHBondContact CA-O 3.02Å; T220-E224 HydrophobicContact CG2-CB 4.27Å; T220-E224 PolarHBondContact N-O 3.21Å; T220-E224 PolarHBondContact OG1-N 3.04Å; E224-K299 WeakPolarHBondContact OE1-CE 3.36Å; E224-K299 IonicContact OE1-NZ 3.18Å; E224-K299 PolarHBondContact OE1-NZ 3.34Å; E224-K299 VanDerWaalsContact OE1-NZ 3.15Å; E224-K299 WeakPolarHBondContact OE2-CD 3.04Å; E224-K299 WeakPolarHBondContact OE2-CE 3.37Å; E224-K299 IonicContact OE2-NZ 3.84Å; E224-K299 PolarHBondContact OE2-NZ 3.24Å
225F97.9Very high95.8Very high14 Ų1430.9 Ų30.96%0.06114%0.144CC..EExtended strand (participates in β ladder)trans-85.4131.5178.5-179.6-92.1000111.4P136 W137 V139 G217 L218 L219 E227 E290 S291 T292P136-F225 HydrophobicContact CB-CD1 3.82Å; P136-F225 HydrophobicContact CB-CD2 4.11Å; P136-F225 HydrophobicContact CB-CE1 3.8Å; P136-F225 HydrophobicContact CB-CE2 4.07Å; P136-F225 HydrophobicContact CB-CG 3.99Å; P136-F225 HydrophobicContact CB-CZ 3.94Å; P136-F225 HydrophobicContact CG-CD1 4.35Å; W137-F225 HydrophobicContact CB-CZ 3.92Å; W137-F225 WeakPolarHBondContact O-CE2 3.49Å; V139-F225 HydrophobicContact CG2-CD2 4.15Å; V139-F225 HydrophobicContact CG2-CE2 4.26Å; G217-F225 VanDerWaalsContact CA-CE2 3.42Å; L218-F225 WeakPolarHBondContact O-CA 3.41Å; L219-F225 HydrophobicContact CD2-CB 4.13Å; L219-F225 HydrophobicContact CD2-CD2 4.29Å; F225-E227 HydrophobicContact CE1-CB 4.04Å; F225-E290 VanDerWaalsContact CD1-O 3.29Å; F225-E290 WeakPolarHBondContact CD1-O 3.49Å; F225-S291 WeakPolarHBondContact O-CA 3.18Å; F225-T292 HydrophobicContact CB-CG2 3.97Å; F225-T292 PolarHBondContact N-OG1 3.3Å; F225-T292 PolarHBondContact O-N 3.47Å; F225-T292 PolarHBondContact O-OG1 3.1Å
226V98.4Very high95Very high2 Ų238 Ų381%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-119.4122.2174.5-175.80000108.4L218 T220 W283 A303L218-V226 HydrophobicContact CB-CB 4.26Å; L218-V226 PolarHBondContact N-O 3.47Å; L218-V226 PolarHBondContact O-N 3.5Å; T220-V226 HydrophobicContact CG2-CG2 3.66Å; V226-W283 HydrophobicContact CG1-CB 4.29Å; V226-W283 HydrophobicContact CG1-CE3 4.09Å; V226-A303 HydrophobicContact CG1-CB 4.25Å; V226-A303 HydrophobicContact CG2-CB 3.58Å
227E97.5Very high93.2Very high0 Ų044.5 Ų44.50%022%0.221CC..EExtended strand (participates in β ladder)trans-80.2128.8168.1-179.8177-131.600109.5R204 R215 F225 F229 N284 E290 S291R204-E227 IonicContact NH1-OE1 3.19Å; R215-E227 IonicContact CZ-OE1 2.64Å; R215-E227 IonicContact NE-OE1 3.22Å; R215-E227 PolarHBondContact NE-OE1 2.6Å; R215-E227 IonicContact NH2-OE1 3.72Å; R215-E227 PolarHBondContact NH2-OE1 2.72Å; F225-E227 HydrophobicContact CE1-CB 4.04Å; E227-F229 HydrophobicContact CG-CE2 3.79Å; E227-F229 HydrophobicContact CG-CZ 3.83Å; E227-N284 HydrophobicContact CB-CB 4.36Å; E227-N284 PolarHBondContact O-N 3.05Å; E227-N284 PolarHBondContact OE2-ND2 3.32Å; E227-E290 HydrophobicContact CB-CB 4.46Å; E227-E290 PolarHBondContact OE2-N 3.28Å; E227-S291 PolarHBondContact N-OG 2.79Å
228A98.2Very high91.2Very high0 Ų048 Ų480%026%0.258CS..EExtended strand (participates in β ladder)trans-137.7164.9176.900000111.8I216 L218 L281 G282 W283I216-A228 HydrophobicContact CD1-CB 4.1Å; I216-A228 HydrophobicContact CG1-CB 3.8Å; I216-A228 WeakPolarHBondContact CG1-O 3.24Å; I216-A228 PolarHBondContact N-O 2.87Å; I216-A228 PolarHBondContact O-N 3.28Å; L218-A228 HydrophobicContact CD1-CB 3.97Å; L218-A228 HydrophobicContact CG-CB 4.44Å; A228-L281 HydrophobicContact CB-CD1 4.14Å; A228-G282 CarbonylContact C-O 3.09Å; A228-G282 VanDerWaalsContact CA-O 3.31Å; A228-G282 WeakPolarHBondContact CA-O 3.34Å; A228-G282 WeakPolarHBondContact CB-O 3.36Å; A228-W283 HydrophobicContact CB-CB 3.91Å
229F97.5Very high89.2Confident10 Ų1052.1 Ų52.14%0.04429%0.286CS..EExtended strand (participates in β ladder)trans-139.4130.3-175.2-59.7-86.8000108.9R204 I213 Q214 R215 E227 P265 E266 L281 G282R204-F229 HydrophobicContact CG-CE1 4.13Å; I213-F229 HydrophobicContact CG2-CB 3.74Å; I213-F229 HydrophobicContact CG2-CD1 4.29Å; I213-F229 HydrophobicContact CG2-CG 4.48Å; Q214-F229 CarbonylContact O-C 3.56Å; Q214-F229 VanDerWaalsContact O-CA 3.27Å; Q214-F229 WeakPolarHBondContact O-CA 3.5Å; R215-F229 HydrophobicContact CB-CD1 3.9Å; R215-F229 HydrophobicContact CB-CE1 3.75Å; R215-F229 HydrophobicContact CG-CD1 4.1Å; R215-F229 HydrophobicContact CG-CE1 3.57Å; R215-F229 HydrophobicContact CG-CZ 4.2Å; E227-F229 HydrophobicContact CG-CE2 3.79Å; E227-F229 HydrophobicContact CG-CZ 3.83Å; F229-P265 HydrophobicContact CD2-CB 4.12Å; F229-P265 HydrophobicContact CD2-CG 3.49Å; F229-P265 VanDerWaalsContact CD2-CG 3.49Å; F229-P265 HydrophobicContact CE2-CG 3.84Å; F229-E266 HydrophobicContact CE2-CG 4.12Å; F229-E266 HydrophobicContact CZ-CG 4.01Å; F229-L281 CarbonylContact O-C 3.45Å; F229-L281 WeakPolarHBondContact O-CA 3.11Å; F229-G282 PolarHBondContact N-O 2.97Å; F229-G282 PolarHBondContact O-N 2.92Å
230Y97.8Very high86.8Confident36 Ų3660.1 Ų60.114%0.14132%0.32CS..EExtended strand (participates in β ladder)trans-140.6151.2-178.186.5-77.1000113.1I213 Q214 I216 D232 V280 F310 L315I213-Y230 CarbonylContact C-O 3.58Å; I213-Y230 VanDerWaalsContact CA-O 3.3Å; I213-Y230 WeakPolarHBondContact CA-O 3.43Å; Q214-Y230 HydrophobicContact CB-CD1 4.02Å; Q214-Y230 HydrophobicContact CB-CE1 3.62Å; Q214-Y230 HydrophobicContact CG-CE1 4.36Å; Q214-Y230 PolarHBondContact N-O 2.99Å; Q214-Y230 PolarHBondContact O-N 2.87Å; Q214-Y230 VanDerWaalsContact OE1-CZ 3.23Å; Q214-Y230 PolarHBondContact OE1-OH 3.18Å; I216-Y230 HydrophobicContact CD1-CD1 3.84Å; I216-Y230 HydrophobicContact CD1-CE1 4.45Å; I216-Y230 HydrophobicContact CG1-CD1 4.31Å; I216-Y230 HydrophobicContact CG2-CD1 3.77Å; I216-Y230 HydrophobicContact CG2-CE1 3.57Å; Y230-D232 HydrophobicContact CD2-CB 4.39Å; Y230-D232 HydrophobicContact CE2-CB 4.13Å; Y230-V280 CarbonylContact C-O 3.6Å; Y230-V280 WeakPolarHBondContact CA-O 3.35Å; Y230-V280 WeakPolarHBondContact CB-O 3.45Å; Y230-F310 HydrophobicContact CD1-CE1 4.2Å; Y230-F310 HydrophobicContact CD1-CZ 4.32Å; Y230-F310 HydrophobicContact CE1-CE1 4.49Å; Y230-F310 HydrophobicContact CE1-CZ 4.19Å; Y230-F310 HydrophobicContact CG-CE1 4.26Å; Y230-L315 HydrophobicContact CD2-CD1 3.62Å; Y230-L315 HydrophobicContact CD2-CD2 3.95Å; Y230-L315 HydrophobicContact CD2-CG 4.44Å; Y230-L315 HydrophobicContact CE2-CD1 4Å; Y230-L315 HydrophobicContact CE2-CD2 3.42Å; Y230-L315 VanDerWaalsContact CE2-CD2 3.42Å; Y230-L315 HydrophobicContact CE2-CG 4.37Å; Y230-L315 HydrophobicContact CG-CD1 4.28Å
231A96.7Very high84.3Confident3 Ų366 Ų663%0.02536%0.361CS..EExtended strand (participates in β ladder)trans-129.9119.7165.500000108.6I213 R233 L274 S279 V280I213-A231 HydrophobicContact CG1-CB 3.65Å; A231-R233 HydrophobicContact CB-CG 4.45Å; A231-L274 HydrophobicContact CB-CD2 3.97Å; A231-S279 CarbonylContact O-C 3.57Å; A231-S279 VanDerWaalsContact O-CA 3.28Å; A231-S279 WeakPolarHBondContact O-CA 3.34Å; A231-S279 WeakPolarHBondContact O-CB 3.19Å; A231-V280 PolarHBondContact N-O 3.07Å; A231-V280 PolarHBondContact O-N 2.97Å
232D95.8Very high82.3Confident62 Ų6269.1 Ų69.133%0.33238%0.382SS..  trans-93.6112.7170.8-177.50.2000108.8Y230 R234Y230-D232 HydrophobicContact CD2-CB 4.39Å; Y230-D232 HydrophobicContact CE2-CB 4.13Å; D232-R234 WeakPolarHBondContact OD1-CB 3.5Å; D232-R234 WeakPolarHBondContact OD1-CG 3.45Å; D232-R234 IonicContact OD1-CZ 2.67Å; D232-R234 PolarHBondContact OD1-N 2.97Å; D232-R234 IonicContact OD1-NE 2.72Å; D232-R234 PolarHBondContact OD1-NE 3.47Å; D232-R234 IonicContact OD1-NH2 3.62Å; D232-R234 IonicContact OD2-CZ 3.04Å; D232-R234 IonicContact OD2-NE 2.8Å; D232-R234 PolarHBondContact OD2-NE 3.49Å; D232-R234 IonicContact OD2-NH2 2.61Å; D232-R234 PolarHBondContact OD2-NH2 3.45Å
233R94.5Very high80.3Confident98 Ų9868.3 Ų68.337%0.3739%0.389SS..  trans-108.79.5-173.2-64-169.565.1143.6-2.6113.1Y211 A231 L274 Y278 S279Y211-R233 VanDerWaalsContact CD1-NH1 3.34Å; A231-R233 HydrophobicContact CB-CG 4.45Å; R233-L274 PolarHBondContact NH1-O 3.42Å; R233-Y278 VanDerWaalsContact CD-O 3.24Å; R233-Y278 WeakPolarHBondContact CD-O 3.45Å; R233-S279 PolarHBondContact N-OG 2.94Å
234R94.2Very high78Confident57 Ų5772.4 Ų72.422%0.21540%0.404CS..  trans-56146174.1-70.8-179.9-68.9-176.52.1111.4D232 K236 G251 E252 L315 R316 F317D232-R234 WeakPolarHBondContact OD1-CB 3.5Å; D232-R234 WeakPolarHBondContact OD1-CG 3.45Å; D232-R234 IonicContact OD1-CZ 2.67Å; D232-R234 PolarHBondContact OD1-N 2.97Å; D232-R234 IonicContact OD1-NE 2.72Å; D232-R234 PolarHBondContact OD1-NE 3.47Å; D232-R234 IonicContact OD1-NH2 3.62Å; D232-R234 IonicContact OD2-CZ 3.04Å; D232-R234 IonicContact OD2-NE 2.8Å; D232-R234 PolarHBondContact OD2-NE 3.49Å; D232-R234 IonicContact OD2-NH2 2.61Å; D232-R234 PolarHBondContact OD2-NH2 3.45Å; R234-K236 PolarHBondContact O-N 2.78Å; R234-K236 VanDerWaalsContact O-N 3.11Å; R234-G251 VanDerWaalsContact CG-O 3.3Å; R234-G251 WeakPolarHBondContact CG-O 3.31Å; R234-E252 WeakPolarHBondContact CA-OE1 3.25Å; R234-E252 WeakPolarHBondContact CB-OE1 3.2Å; R234-E252 WeakPolarHBondContact CD-OE2 2.8Å; R234-E252 WeakPolarHBondContact CG-OE2 3.4Å; R234-L315 PolarHBondContact NH1-O 2.82Å; R234-L315 PolarHBondContact NH2-O 3.46Å; R234-R316 PolarHBondContact NH1-O 3.42Å; R234-F317 HydrophobicContact CG-CE1 4.02Å; R234-F317 HydrophobicContact CG-CZ 4Å
235I84.8Confident76Confident72 Ų7277.5 Ų77.537%0.36943%0.428SS..  trans-72.1111178.9-57175.4000107.9S237 L244 D248 E252I235-S237 PolarHBondContact O-N 3.14Å; I235-L244 HydrophobicContact CD1-CD2 3.46Å; I235-L244 VanDerWaalsContact CD1-CD2 3.46Å; I235-D248 HydrophobicContact CD1-CB 4.23Å; I235-E252 PolarHBondContact N-OE1 3.11Å
236K76.1Confident74Confident169 Ų16983.6 Ų83.674%0.73546%0.456SS*.  trans-66.1130.4174.9-63.3-174.9-179-177.60109.1R234 G238 S239R234-K236 PolarHBondContact O-N 2.78Å; R234-K236 VanDerWaalsContact O-N 3.11Å; K236-G238 VanDerWaalsContact C-N 3.34Å; K236-G238 PolarHBondContact O-N 2.86Å; K236-S239 PolarHBondContact O-N 3.32Å; K236-S239 VanDerWaalsContact O-N 3.1Å
237S57.1Low72.1Confident137 Ų13787.4 Ų87.496%0.95848%0.477SS*.THydrogen-bonded Turntrans-55.594.9171.9-71.60000109.7I235I235-S237 PolarHBondContact O-N 3.14Å
238G54.7Low70.7Confident74 Ų7490.8 Ų90.876%0.76350%0.495SS*.THydrogen-bonded Turntrans151-22.7-171.300000114.5K236 K240K236-G238 VanDerWaalsContact C-N 3.34Å; K236-G238 PolarHBondContact O-N 2.86Å; G238-K240 PolarHBondContact O-N 3.33Å
239S55.6Low70.2Confident86 Ų8695.3 Ų95.360%0.60152%0.519SS*.SBendtrans-70119.5169.1-70.50000109.4K236 S241K236-S239 PolarHBondContact O-N 3.32Å; K236-S239 VanDerWaalsContact O-N 3.1Å; S239-S241 PolarHBondContact O-N 3.18Å
240K47.5Very low70Confident193 Ų19395.8 Ų95.884%0.83952%0.522SS*.  trans-53.8126-179-77.7178.4175.8177.60110G238 I242G238-K240 PolarHBondContact O-N 3.33Å; K240-I242 PolarHBondContact O-N 3.23Å
241S44.8Very low69.9Low125 Ų12594.1 Ų94.187%0.87452%0.516SS*.  trans-44.198.5167.8164.40000110.4S239S239-S241 PolarHBondContact O-N 3.18Å
242I51.7Low69.9Low135 Ų13596.8 Ų96.869%0.69253%0.528SS*.  trans-108.6137.7154.8-62.6174.3000103.4K240 L244K240-I242 PolarHBondContact O-N 3.23Å; I242-L244 PolarHBondContact O-N 2.93Å; I242-L244 VanDerWaalsContact O-N 3.13Å
243S52Low70Confident101 Ų10195.6 Ų95.671%0.70652%0.521SS*.  trans-35.9117.1179.9460000111.8E245S243-E245 PolarHBondContact O-N 3.47Å
244L49.1Very low70.2Confident112 Ų11291 Ų9159%0.58650%0.504SS*.  trans-64.9119.2-175.1-67.2162.5000109.8I235 I242 D248 L249I235-L244 HydrophobicContact CD1-CD2 3.46Å; I235-L244 VanDerWaalsContact CD1-CD2 3.46Å; I242-L244 PolarHBondContact O-N 2.93Å; I242-L244 VanDerWaalsContact O-N 3.13Å; L244-D248 HydrophobicContact CD2-CB 3.9Å; L244-L249 HydrophobicContact CD1-CD2 4.44Å
245E55.2Low70.4Confident141 Ų14188.4 Ų88.466%0.65949%0.494SS*.  trans-81.4158.4163.7-67.8-173.917500109.4S243 D247 D248S243-E245 PolarHBondContact O-N 3.47Å; E245-D247 PolarHBondContact O-N 3.32Å; E245-D247 VanDerWaalsContact O-N 3.14Å; E245-D248 PolarHBondContact N-OD2 3.11Å; E245-D248 WeakPolarHBondContact O-CA 3.32Å; E245-D248 VanDerWaalsContact O-CB 3.24Å; E245-D248 WeakPolarHBondContact O-CB 3.37Å; E245-D248 PolarHBondContact O-N 3.27Å
246Q54.9Low71.1Confident142 Ų14285 Ų8566%0.66448%0.477SS*.Hα-helixtrans-56.3-32.7-179.4-1721774.100112.8D248 L249 N250Q246-D248 PolarHBondContact O-N 3.38Å; Q246-L249 PolarHBondContact O-N 2.94Å; Q246-N250 PolarHBondContact O-N 2.88Å
247D58.9Low72.1Confident82 Ų8277 Ų7744%0.43944%0.442SS..Hα-helixtrans-64.2-23.2175.1-77.4-14.9000112.8E245 R276E245-D247 PolarHBondContact O-N 3.32Å; E245-D247 VanDerWaalsContact O-N 3.14Å; D247-R276 IonicContact OD1-NH1 3.91Å
248D67.8Low74.1Confident71 Ų7170.5 Ų70.538%0.3840%0.396SS..Hα-helixtrans-73.3-29.4176.4-65.8-36.5000112.1I235 L244 E245 Q246I235-D248 HydrophobicContact CD1-CB 4.23Å; L244-D248 HydrophobicContact CD2-CB 3.9Å; E245-D248 PolarHBondContact N-OD2 3.11Å; E245-D248 WeakPolarHBondContact O-CA 3.32Å; E245-D248 VanDerWaalsContact O-CB 3.24Å; E245-D248 WeakPolarHBondContact O-CB 3.37Å; E245-D248 PolarHBondContact O-N 3.27Å; Q246-D248 PolarHBondContact O-N 3.38Å
249L87.2Confident76.2Confident95 Ų9567 Ų6750%0.49736%0.36SS..Hα-helixtrans-82.2-25.5179.6-65.7178.8000113.1L244 Q246 G251 E252L244-L249 HydrophobicContact CD1-CD2 4.44Å; Q246-L249 PolarHBondContact O-N 2.94Å; L249-G251 PolarHBondContact O-N 3.45Å; L249-G251 VanDerWaalsContact O-N 3.13Å; L249-E252 WeakPolarHBondContact O-CB 3.46Å; L249-E252 PolarHBondContact O-N 2.81Å
250N94.2Very high78.2Confident20 Ų2062.9 Ų62.911%0.10733%0.331CS..G310 helixtrans-59.9-25.7178-73.5-14000112.2Q246 E252 I253 R276 Y278Q246-N250 PolarHBondContact O-N 2.88Å; N250-E252 PolarHBondContact O-N 3.45Å; N250-I253 PolarHBondContact O-N 3.26Å; N250-R276 PolarHBondContact ND2-O 3.5Å; N250-Y278 HydrophobicContact CB-CD1 3.86Å; N250-Y278 HydrophobicContact CB-CE1 3.89Å; N250-Y278 HydrophobicContact CB-CG 4.22Å; N250-Y278 WeakPolarHBondContact O-CA 3.43Å; N250-Y278 WeakPolarHBondContact O-CD1 3.33Å
251G95.6Very high80.4Confident2 Ų256.2 Ų56.22%0.02131%0.305CS..G310 helixtrans-58-26.2174.800000113.9R234 L249 I253 G277 S279R234-G251 VanDerWaalsContact CG-O 3.3Å; R234-G251 WeakPolarHBondContact CG-O 3.31Å; L249-G251 PolarHBondContact O-N 3.45Å; L249-G251 VanDerWaalsContact O-N 3.13Å; G251-I253 PolarHBondContact O-N 3.11Å; G251-G277 WeakPolarHBondContact CA-O 3.29Å; G251-G277 PolarHBondContact N-O 2.97Å; G251-S279 PolarHBondContact O-OG 2.84Å
252E95.9Very high82.6Confident59 Ų5951.3 Ų51.328%0.27627%0.274SS..G310 helixtrans-72.7-11.6176-60.8-56134.900114R234 I235 L249 N250 Q321R234-E252 WeakPolarHBondContact CA-OE1 3.25Å; R234-E252 WeakPolarHBondContact CB-OE1 3.2Å; R234-E252 WeakPolarHBondContact CD-OE2 2.8Å; R234-E252 WeakPolarHBondContact CG-OE2 3.4Å; I235-E252 PolarHBondContact N-OE1 3.11Å; L249-E252 WeakPolarHBondContact O-CB 3.46Å; L249-E252 PolarHBondContact O-N 2.81Å; N250-E252 PolarHBondContact O-N 3.45Å; E252-Q321 PolarHBondContact O-NE2 2.91Å
253I97.6Very high84.6Confident37 Ų3745.2 Ų45.219%0.1925%0.245CC..SBendtrans-107.6128.6176.2-58.2-61.2000109.6N250 G251 Y278 S279 Q321 F323N250-I253 PolarHBondContact O-N 3.26Å; G251-I253 PolarHBondContact O-N 3.11Å; I253-Y278 HydrophobicContact CB-CD1 3.78Å; I253-Y278 HydrophobicContact CB-CE1 3.96Å; I253-Y278 HydrophobicContact CG2-CD1 3.91Å; I253-Y278 HydrophobicContact CG2-CE1 4Å; I253-S279 WeakPolarHBondContact O-CB 3.38Å; I253-S279 PolarHBondContact O-N 3.02Å; I253-Q321 CarbonylContact C-O 3.47Å; I253-Q321 WeakPolarHBondContact CA-O 3.35Å; I253-Q321 HydrophobicContact CD1-CB 4.2Å; I253-F323 HydrophobicContact CG2-CD2 3.41Å; I253-F323 VanDerWaalsContact CG2-CD2 3.41Å; I253-F323 HydrophobicContact CG2-CE2 3.67Å; I253-F323 HydrophobicContact CG2-CG 4.1Å
254L98.6Very high86.8Confident1 Ų140.4 Ų40.41%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-94.1128.1173-177.177.5000109.9S279 V280 L281 A311 F317 Q321 I322 F323L254-S279 CarbonylContact C-O 3.56Å; L254-S279 WeakPolarHBondContact CA-O 3.49Å; L254-V280 VanDerWaalsContact CD1-C 3.49Å; L254-L281 HydrophobicContact CD1-CB 4.09Å; L254-L281 HydrophobicContact CD2-CB 4.18Å; L254-L281 HydrophobicContact CG-CB 4.39Å; L254-A311 HydrophobicContact CD2-CB 3.35Å; L254-F317 HydrophobicContact CB-CD1 3.75Å; L254-F317 HydrophobicContact CB-CD2 4.21Å; L254-F317 HydrophobicContact CB-CE1 3.81Å; L254-F317 HydrophobicContact CB-CE2 4.28Å; L254-F317 HydrophobicContact CB-CG 3.96Å; L254-F317 HydrophobicContact CB-CZ 4.08Å; L254-F317 HydrophobicContact CD1-CE2 4.15Å; L254-F317 HydrophobicContact CD1-CZ 4.31Å; L254-F317 HydrophobicContact CD2-CD2 4.09Å; L254-F317 HydrophobicContact CD2-CE2 4.48Å; L254-F317 HydrophobicContact CD2-CG 4.33Å; L254-Q321 PolarHBondContact N-O 3.03Å; L254-I322 HydrophobicContact CB-CG1 4.32Å; L254-I322 HydrophobicContact CD2-CG1 4.31Å; L254-I322 CarbonylContact O-C 3.58Å; L254-I322 VanDerWaalsContact O-CA 3.3Å; L254-I322 WeakPolarHBondContact O-CA 3.49Å; L254-F323 PolarHBondContact O-N 2.87Å
255V98.7Very high89.1Confident3 Ų335.2 Ų35.22%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-98.1107.6168.6-173.50000109.2C257 P273 Y278 S279 V280 L281 F323 L325V255-C257 PolarHBondContact O-N 2.88Å; V255-C257 PolarHBondContact O-SG 2.65Å; V255-P273 HydrophobicContact CB-CB 3.86Å; V255-P273 HydrophobicContact CB-CG 4.21Å; V255-P273 HydrophobicContact CG1-CB 4.15Å; V255-P273 HydrophobicContact CG1-CG 4.15Å; V255-P273 HydrophobicContact CG2-CB 3.77Å; V255-Y278 HydrophobicContact CG2-CD1 4.11Å; V255-Y278 HydrophobicContact CG2-CD2 4.27Å; V255-Y278 HydrophobicContact CG2-CG 3.81Å; V255-S279 PolarHBondContact N-O 2.67Å; V255-V280 HydrophobicContact CB-CG2 4.48Å; V255-V280 WeakPolarHBondContact O-CA 3.49Å; V255-L281 PolarHBondContact O-N 3.38Å; V255-F323 CarbonylContact C-O 3.52Å; V255-F323 WeakPolarHBondContact CA-O 3.44Å; V255-F323 HydrophobicContact CG2-CB 4.31Å; V255-L325 HydrophobicContact CG1-CB 3.72Å; V255-L325 HydrophobicContact CG1-CD2 4.35Å
256L98.9Very high91Very high1 Ų128.5 Ų28.51%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-75.9110.5168.8176.157.5000108.8L281 V304 C307 F308 I322 F323 V324 L325 I337L256-L281 CarbonylContact C-O 3.54Å; L256-L281 WeakPolarHBondContact CA-O 3.41Å; L256-L281 HydrophobicContact CD1-CB 4.29Å; L256-L281 HydrophobicContact CD1-CD2 4.06Å; L256-L281 HydrophobicContact CD1-CG 3.95Å; L256-L281 WeakPolarHBondContact CD1-O 3.29Å; L256-V304 HydrophobicContact CD2-CG2 4.05Å; L256-C307 HydrophobicContact CD1-CB 3.82Å; L256-F308 HydrophobicContact CD2-CB 4.21Å; L256-F308 HydrophobicContact CD2-CD2 4.42Å; L256-I322 HydrophobicContact CB-CG2 4.22Å; L256-F323 PolarHBondContact N-O 2.91Å; L256-V324 HydrophobicContact CB-CG1 4.42Å; L256-V324 HydrophobicContact CB-CG2 4.45Å; L256-V324 HydrophobicContact CD2-CG1 4.34Å; L256-V324 HydrophobicContact CD2-CG2 4.49Å; L256-V324 HydrophobicContact CG-CG1 4.36Å; L256-V324 WeakPolarHBondContact O-CA 3.19Å; L256-L325 PolarHBondContact O-N 3.46Å; L256-I337 HydrophobicContact CD2-CG1 4.48Å
257C98.8Very high92.9Very high0 Ų025 Ų250%014%0.137CC..EExtended strand (participates in β ladder)trans-97.1116.9-171.9-69.60000111V255 T269 P270 L281 W283V255-C257 PolarHBondContact O-N 2.88Å; V255-C257 PolarHBondContact O-SG 2.65Å; C257-T269 WeakPolarHBondContact CB-OG1 3.46Å; C257-P270 HydrophobicContact CB-CG 4.13Å; C257-L281 PolarHBondContact N-O 3.49Å; C257-W283 PolarHBondContact O-NE1 2.63Å
258C98.7Very high94.7Very high0 Ų022 Ų220%013%0.126CC..EExtended strand (participates in β ladder)trans-107.4112.5175.8-61.30000109.7W283 L325 W327 G330 T333 A334C258-W283 HydrophobicContact CB-CZ2 4.48Å; C258-W283 PolarHBondContact SG-NE1 2.68Å; C258-L325 PolarHBondContact N-O 3.49Å; C258-W327 PolarHBondContact O-N 3.21Å; C258-G330 WeakPolarHBondContact CB-O 3.38Å; C258-T333 WeakPolarHBondContact CB-OG1 3.49Å; C258-T333 PolarHBondContact SG-OG1 2.86Å; C258-A334 HydrophobicContact CB-CB 4.41Å
259E98.1Very high96.1Very high0 Ų019.2 Ų19.20%011%0.112CC..  trans-72.9164-174.1-71.3-63.9155.100114.3G268 T269 P270 H285 W327 G330E259-G268 WeakPolarHBondContact OE1-CA 3.42Å; E259-T269 WeakPolarHBondContact OE1-CA 3.46Å; E259-T269 WeakPolarHBondContact OE1-CB 3.4Å; E259-T269 PolarHBondContact OE1-N 2.67Å; E259-T269 PolarHBondContact OE1-OG1 3.03Å; E259-T269 PolarHBondContact OE2-N 3.22Å; E259-P270 WeakPolarHBondContact OE1-CD 3.37Å; E259-H285 PolarHBondContact O-CE1 2.69Å; E259-H285 PolarHBondContact O-NE2 2.83Å; E259-W327 CarbonylContact C-O 3.58Å; E259-G330 WeakPolarHBondContact O-CA 3.49Å; E259-G330 PolarHBondContact O-N 2.9Å; E259-G330 VanDerWaalsContact O-N 3.08Å
260G96.9Very high96.6Very high0 Ų014.9 Ų14.90%09%0.09CC..  trans-82.1176.4171.800000113.1G262 G263 W327G260-G262 PolarHBondContact O-N 2.67Å; G260-G263 WeakPolarHBondContact O-CA 3.25Å; G260-G263 PolarHBondContact O-N 2.9Å; G260-W327 WeakPolarHBondContact CA-O 3.33Å; G260-W327 PolarHBondContact N-O 3.31Å
261N93.9Very high96.7Very high54 Ų5416.9 Ų16.929%0.28910%0.096SC..THydrogen-bonded Turntrans-64.5124.8173.9-178.515.6000110.3T184 Y185 V186 G187 G263 I329T184-N261 PolarHBondContact O-ND2 3.14Å; Y185-N261 VanDerWaalsContact CA-OD1 3.3Å; Y185-N261 WeakPolarHBondContact CA-OD1 3.42Å; V186-N261 VanDerWaalsContact CG2-OD1 3.32Å; V186-N261 WeakPolarHBondContact CG2-OD1 3.08Å; V186-N261 PolarHBondContact N-OD1 2.71Å; G187-N261 PolarHBondContact N-OD1 3.1Å; N261-G263 PolarHBondContact O-N 3.04Å; N261-I329 HydrophobicContact CB-CG2 4.11Å; N261-I329 VanDerWaalsContact N-CG2 3.3Å
262G91.5Very high96.8Very high22 Ų2218 Ų1823%0.22710%0.102CC..THydrogen-bonded Turntrans73.73.2-172.600000114.5G260 Y264G260-G262 PolarHBondContact O-N 2.67Å; G262-Y264 WeakPolarHBondContact O-CD2 3.42Å; G262-Y264 WeakPolarHBondContact O-CE2 3.27Å
263G94Very high96.9Very high7 Ų715.2 Ų15.27%0.0729%0.089CC..  trans-79.2157.2169.400000111.9G260 N261 F288G260-G263 WeakPolarHBondContact O-CA 3.25Å; G260-G263 PolarHBondContact O-N 2.9Å; N261-G263 PolarHBondContact O-N 3.04Å; G263-F288 WeakPolarHBondContact O-CD1 3.45Å
264Y97.6Very high96.8Very high0 Ų013.6 Ų13.60%08%0.081CC..  trans-148.1138.5177.2-58.5-99.5000108.3T196 R200 G262 E266 I267 G268 N284 F288T196-Y264 HydrophobicContact CG2-CE2 3.87Å; T196-Y264 PolarHBondContact OG1-OH 3.44Å; R200-Y264 HydrophobicContact CG-CG 4.31Å; G262-Y264 WeakPolarHBondContact O-CD2 3.42Å; G262-Y264 WeakPolarHBondContact O-CE2 3.27Å; Y264-E266 WeakPolarHBondContact CB-OE2 3.38Å; Y264-E266 PolarHBondContact O-N 2.98Å; Y264-I267 HydrophobicContact CD2-CD1 4.11Å; Y264-I267 HydrophobicContact CD2-CG1 4.39Å; Y264-I267 CarbonylContact O-C 3.49Å; Y264-I267 PolarHBondContact O-N 3.42Å; Y264-G268 WeakPolarHBondContact O-CA 3.49Å; Y264-G268 PolarHBondContact O-N 2.92Å; Y264-N284 WeakPolarHBondContact CD1-OD1 3.3Å; Y264-F288 HydrophobicContact CD1-CB 4.37Å; Y264-F288 HydrophobicContact CD1-CD1 4.33Å; Y264-F288 HydrophobicContact CE1-CB 4.02Å; Y264-F288 AromaticContact CE1-CD1 3.98Å; Y264-F288 HydrophobicContact CE1-CD1 3.98Å; Y264-F288 HydrophobicContact CE1-CG 4.36Å
265P97.4Very high96.7Very high2 Ų216 Ų161%0.01311%0.106CC..THydrogen-bonded Turntrans-58.7-26.6-177.325.1-35.1000112.8F229 I267 P270 N284F229-P265 HydrophobicContact CD2-CB 4.12Å; F229-P265 HydrophobicContact CD2-CG 3.49Å; F229-P265 VanDerWaalsContact CD2-CG 3.49Å; F229-P265 HydrophobicContact CE2-CG 3.84Å; P265-I267 VanDerWaalsContact C-N 3.29Å; P265-I267 PolarHBondContact O-N 3.05Å; P265-P270 HydrophobicContact CB-CG 3.83Å; P265-P270 WeakPolarHBondContact O-CD 3.06Å; P265-P270 VanDerWaalsContact O-CG 3.27Å; P265-P270 WeakPolarHBondContact O-CG 3.42Å; P265-N284 WeakPolarHBondContact CD-OD1 3.09Å
266E95.5Very high96.5Very high0 Ų019.5 Ų19.50%012%0.119CC..THydrogen-bonded Turntrans-59.8-36.4174.1-59.695.4125.900113.3R200 A203 R204 L207 F229 Y264 W271R200-E266 HydrophobicContact CB-CB 4.09Å; R200-E266 HydrophobicContact CB-CG 4.14Å; R200-E266 HydrophobicContact CG-CB 4.21Å; R200-E266 IonicContact NH1-OE1 3.02Å; R200-E266 PolarHBondContact NH1-OE1 2.61Å; R200-E266 VanDerWaalsContact NH1-OE1 3.12Å; A203-E266 HydrophobicContact CB-CB 4.36Å; A203-E266 WeakPolarHBondContact CB-O 3.36Å; R204-E266 HydrophobicContact CG-CB 4.06Å; R204-E266 HydrophobicContact CG-CG 3.28Å; L207-E266 WeakPolarHBondContact CD1-O 3.39Å; F229-E266 HydrophobicContact CE2-CG 4.12Å; F229-E266 HydrophobicContact CZ-CG 4.01Å; Y264-E266 WeakPolarHBondContact CB-OE2 3.38Å; Y264-E266 PolarHBondContact O-N 2.98Å; E266-W271 PolarHBondContact O-NE1 2.97Å
267I95.7Very high96.3Very high68 Ų6819.8 Ų19.835%0.34912%0.122SC..THydrogen-bonded Turntrans-128.515.4-169.653.9170.7000113R200 A203 Y264 P265R200-I267 HydrophobicContact CG-CD1 3.98Å; R200-I267 HydrophobicContact CG-CG1 4.19Å; A203-I267 HydrophobicContact CB-CG2 3.37Å; Y264-I267 HydrophobicContact CD2-CD1 4.11Å; Y264-I267 HydrophobicContact CD2-CG1 4.39Å; Y264-I267 CarbonylContact O-C 3.49Å; Y264-I267 PolarHBondContact O-N 3.42Å; P265-I267 VanDerWaalsContact C-N 3.29Å; P265-I267 PolarHBondContact O-N 3.05Å
268G96.3Very high96.2Very high20 Ų2020.1 Ų20.121%0.20612%0.123CC..SBendtrans-127.2-136.2-169.600000114.4E259 Y264 W271E259-G268 WeakPolarHBondContact OE1-CA 3.42Å; Y264-G268 WeakPolarHBondContact O-CA 3.49Å; Y264-G268 PolarHBondContact O-N 2.92Å; G268-W271 VanDerWaalsContact O-CD1 3.3Å; G268-W271 PolarHBondContact O-N 3.34Å
269T96.2Very high96.2Very high13 Ų1320.1 Ų20.18%0.0812%0.123CC..THydrogen-bonded Turntrans-54.6-33.6-171.958.60000115.7C257 E259 W271 V272 P273 W327C257-T269 WeakPolarHBondContact CB-OG1 3.46Å; E259-T269 WeakPolarHBondContact OE1-CA 3.46Å; E259-T269 WeakPolarHBondContact OE1-CB 3.4Å; E259-T269 PolarHBondContact OE1-N 2.67Å; E259-T269 PolarHBondContact OE1-OG1 3.03Å; E259-T269 PolarHBondContact OE2-N 3.22Å; T269-W271 PolarHBondContact O-N 2.72Å; T269-W271 VanDerWaalsContact O-N 3.08Å; T269-V272 PolarHBondContact O-N 3.21Å; T269-P273 WeakPolarHBondContact O-CD 3.35Å; T269-W327 HydrophobicContact CG2-CB 3.52Å; T269-W327 HydrophobicContact CG2-CD2 4.39Å; T269-W327 HydrophobicContact CG2-CE3 4.13Å; T269-W327 HydrophobicContact CG2-CG 4.17Å
270P97.9Very high96.2Very high4 Ų420.1 Ų20.13%0.02612%0.123CC..THydrogen-bonded Turntrans-54.7-30179.5-36.443.2000116C257 E259 P265 V272 P273 L274 V280C257-P270 HydrophobicContact CB-CG 4.13Å; E259-P270 WeakPolarHBondContact OE1-CD 3.37Å; P265-P270 HydrophobicContact CB-CG 3.83Å; P265-P270 WeakPolarHBondContact O-CD 3.06Å; P265-P270 VanDerWaalsContact O-CG 3.27Å; P265-P270 WeakPolarHBondContact O-CG 3.42Å; P270-V272 VanDerWaalsContact C-N 3.29Å; P270-V272 PolarHBondContact O-N 3.43Å; P270-P273 WeakPolarHBondContact O-CD 3.27Å; P270-P273 WeakPolarHBondContact O-CG 3.4Å; P270-L274 HydrophobicContact CB-CD1 4.16Å; P270-L274 WeakPolarHBondContact O-CB 3.49Å; P270-L274 WeakPolarHBondContact O-CD1 3.38Å; P270-L274 WeakPolarHBondContact O-CG 3.38Å; P270-L274 PolarHBondContact O-N 3.32Å; P270-L274 VanDerWaalsContact O-N 3.15Å; P270-V280 HydrophobicContact CB-CG1 3.77Å; P270-V280 HydrophobicContact CG-CG1 4.12Å
271W97.1Very high96.3Very high61 Ų6120.1 Ų20.123%0.23112%0.123CC..Hα-helixtrans-61.1-36.4-173.5-75.594000113.7A203 R206 L207 Y211 E266 G268 T269 G275A203-W271 HydrophobicContact CB-CZ2 4.37Å; R206-W271 HydrophobicContact CB-CH2 3.91Å; L207-W271 HydrophobicContact CD1-CZ2 4.21Å; L207-W271 HydrophobicContact CD2-CD2 3.77Å; L207-W271 VanDerWaalsContact CD2-CE2 3.47Å; L207-W271 HydrophobicContact CD2-CE3 3.96Å; L207-W271 HydrophobicContact CD2-CH2 3.61Å; L207-W271 HydrophobicContact CD2-CZ2 3.41Å; L207-W271 VanDerWaalsContact CD2-CZ2 3.41Å; L207-W271 HydrophobicContact CD2-CZ3 3.88Å; L207-W271 HydrophobicContact CG-CH2 3.92Å; L207-W271 HydrophobicContact CG-CZ2 3.5Å; L207-W271 VanDerWaalsContact CG-CZ2 3.5Å; Y211-W271 HydrophobicContact CE2-CE3 4.04Å; Y211-W271 AromaticContact CE2-CZ3 3.96Å; Y211-W271 HydrophobicContact CE2-CZ3 3.96Å; E266-W271 PolarHBondContact O-NE1 2.97Å; G268-W271 VanDerWaalsContact O-CD1 3.3Å; G268-W271 PolarHBondContact O-N 3.34Å; T269-W271 PolarHBondContact O-N 2.72Å; T269-W271 VanDerWaalsContact O-N 3.08Å; W271-G275 PolarHBondContact O-N 3.28Å
272V97Very high96.5Very high27 Ų2717.6 Ų17.616%0.16411%0.109CC..Hα-helixtrans-72.1-55.8-177-177.50000112.2T269 P270 L274 G275 R276 L528 L533T269-V272 PolarHBondContact O-N 3.21Å; P270-V272 VanDerWaalsContact C-N 3.29Å; P270-V272 PolarHBondContact O-N 3.43Å; V272-L274 VanDerWaalsContact C-N 3.32Å; V272-L274 PolarHBondContact O-N 3.29Å; V272-G275 PolarHBondContact O-N 3.29Å; V272-G275 VanDerWaalsContact O-N 3.12Å; V272-R276 WeakPolarHBondContact O-CG 3.41Å; V272-R276 PolarHBondContact O-N 3.4Å; V272-R276 VanDerWaalsContact O-N 3.12Å; V272-L528 HydrophobicContact CG2-CB 4.28Å; V272-L528 WeakPolarHBondContact CG2-O 3.36Å; V272-L533 HydrophobicContact CG1-CB 4.09Å; V272-L533 HydrophobicContact CG1-CD2 3.97Å
273P97.6Very high96.9Very high0 Ų016.5 Ų16.50%010%0.099CC..Hα-helixtrans-60.1-38.4175.318.9-27.1000112.8V255 T269 P270 G275 R276 G277 Y278 V280 L533V255-P273 HydrophobicContact CB-CB 3.86Å; V255-P273 HydrophobicContact CB-CG 4.21Å; V255-P273 HydrophobicContact CG1-CB 4.15Å; V255-P273 HydrophobicContact CG1-CG 4.15Å; V255-P273 HydrophobicContact CG2-CB 3.77Å; T269-P273 WeakPolarHBondContact O-CD 3.35Å; P270-P273 WeakPolarHBondContact O-CD 3.27Å; P270-P273 WeakPolarHBondContact O-CG 3.4Å; P273-G275 VanDerWaalsContact C-N 3.31Å; P273-G275 PolarHBondContact O-N 2.67Å; P273-R276 CarbonylContact O-C 3.57Å; P273-R276 WeakPolarHBondContact O-CA 3.34Å; P273-R276 PolarHBondContact O-N 2.86Å; P273-G277 PolarHBondContact O-N 3.41Å; P273-Y278 HydrophobicContact CB-CD2 4.11Å; P273-Y278 HydrophobicContact CB-CG 4.43Å; P273-Y278 WeakPolarHBondContact O-CB 3.29Å; P273-Y278 PolarHBondContact O-N 3.01Å; P273-V280 HydrophobicContact CB-CG2 3.67Å; P273-V280 HydrophobicContact CG-CG2 3.66Å; P273-L533 HydrophobicContact CB-CD2 3.8Å; P273-L533 HydrophobicContact CG-CD2 4.35Å
274L96.9Very high97.1Very high2 Ų216.2 Ų16.21%0.0110%0.095CC..Hα-helixtrans-61.1-40173.9-71.4165.5000112.7L207 Y211 I213 A231 R233 P270 V272 R276 G277 V280L207-L274 HydrophobicContact CD2-CD1 3.88Å; Y211-L274 HydrophobicContact CD1-CB 4.27Å; Y211-L274 HydrophobicContact CD2-CB 4.03Å; Y211-L274 HydrophobicContact CD2-CD1 3.7Å; Y211-L274 HydrophobicContact CD2-CG 4.3Å; Y211-L274 HydrophobicContact CE1-CB 4.15Å; Y211-L274 HydrophobicContact CE2-CB 3.88Å; Y211-L274 HydrophobicContact CE2-CD1 4.09Å; Y211-L274 HydrophobicContact CG-CB 4.2Å; Y211-L274 HydrophobicContact CG-CD1 4.19Å; Y211-L274 HydrophobicContact CG-CD2 4.19Å; Y211-L274 HydrophobicContact CG-CG 4.42Å; I213-L274 HydrophobicContact CD1-CD1 3.41Å; I213-L274 VanDerWaalsContact CD1-CD1 3.41Å; I213-L274 HydrophobicContact CD1-CD2 4.41Å; I213-L274 HydrophobicContact CG1-CD1 4.41Å; A231-L274 HydrophobicContact CB-CD2 3.97Å; R233-L274 PolarHBondContact NH1-O 3.42Å; P270-L274 HydrophobicContact CB-CD1 4.16Å; P270-L274 WeakPolarHBondContact O-CB 3.49Å; P270-L274 WeakPolarHBondContact O-CD1 3.38Å; P270-L274 WeakPolarHBondContact O-CG 3.38Å; P270-L274 PolarHBondContact O-N 3.32Å; P270-L274 VanDerWaalsContact O-N 3.15Å; V272-L274 VanDerWaalsContact C-N 3.32Å; V272-L274 PolarHBondContact O-N 3.29Å; L274-R276 PolarHBondContact O-N 3.08Å; L274-G277 PolarHBondContact O-N 3.4Å; L274-V280 HydrophobicContact CD2-CB 3.98Å; L274-V280 HydrophobicContact CD2-CG2 3.84Å; L274-V280 HydrophobicContact CG-CB 4.13Å; L274-V280 HydrophobicContact CG-CG2 3.73Å
275G95.1Very high97.1Very high51 Ų5116.2 Ų16.253%0.52610%0.095SC..Hα-helixtrans-67.6-17.9175.100000113.5W271 V272 P273W271-G275 PolarHBondContact O-N 3.28Å; V272-G275 PolarHBondContact O-N 3.29Å; V272-G275 VanDerWaalsContact O-N 3.12Å; P273-G275 VanDerWaalsContact C-N 3.31Å; P273-G275 PolarHBondContact O-N 2.67Å
276R95Very high97.2Very high78 Ų7816.3 Ų16.329%0.29410%0.096SC..THydrogen-bonded Turntrans-99.28.6175.8-64.8-72.5-71.51230.3113.1D247 N250 V272 P273 L274 Y278 G530D247-R276 IonicContact OD1-NH1 3.91Å; N250-R276 PolarHBondContact ND2-O 3.5Å; V272-R276 WeakPolarHBondContact O-CG 3.41Å; V272-R276 PolarHBondContact O-N 3.4Å; V272-R276 VanDerWaalsContact O-N 3.12Å; P273-R276 CarbonylContact O-C 3.57Å; P273-R276 WeakPolarHBondContact O-CA 3.34Å; P273-R276 PolarHBondContact O-N 2.86Å; L274-R276 PolarHBondContact O-N 3.08Å; R276-Y278 HydrophobicContact CB-CD2 3.69Å; R276-Y278 HydrophobicContact CB-CE2 3.73Å; R276-G530 WeakPolarHBondContact CD-O 3.35Å; R276-G530 PolarHBondContact NE-O 2.96Å
277G95Very high97.2Very high7 Ų717 Ų177%0.07210%0.103CC..THydrogen-bonded Turntrans87.8-5.7176.200000115.5G251 P273 L274G251-G277 WeakPolarHBondContact CA-O 3.29Å; G251-G277 PolarHBondContact N-O 2.97Å; P273-G277 PolarHBondContact O-N 3.41Å; L274-G277 PolarHBondContact O-N 3.4Å
278Y97.4Very high97.3Very high7 Ų713.7 Ų13.73%0.0279%0.086CC..  trans-68.2148.4-177.9-66.2-75.7000113.4R233 N250 I253 V255 P273 R276 F323R233-Y278 VanDerWaalsContact CD-O 3.24Å; R233-Y278 WeakPolarHBondContact CD-O 3.45Å; N250-Y278 HydrophobicContact CB-CD1 3.86Å; N250-Y278 HydrophobicContact CB-CE1 3.89Å; N250-Y278 HydrophobicContact CB-CG 4.22Å; N250-Y278 WeakPolarHBondContact O-CA 3.43Å; N250-Y278 WeakPolarHBondContact O-CD1 3.33Å; I253-Y278 HydrophobicContact CB-CD1 3.78Å; I253-Y278 HydrophobicContact CB-CE1 3.96Å; I253-Y278 HydrophobicContact CG2-CD1 3.91Å; I253-Y278 HydrophobicContact CG2-CE1 4Å; V255-Y278 HydrophobicContact CG2-CD1 4.11Å; V255-Y278 HydrophobicContact CG2-CD2 4.27Å; V255-Y278 HydrophobicContact CG2-CG 3.81Å; P273-Y278 HydrophobicContact CB-CD2 4.11Å; P273-Y278 HydrophobicContact CB-CG 4.43Å; P273-Y278 WeakPolarHBondContact O-CB 3.29Å; P273-Y278 PolarHBondContact O-N 3.01Å; R276-Y278 HydrophobicContact CB-CD2 3.69Å; R276-Y278 HydrophobicContact CB-CE2 3.73Å; Y278-F323 HydrophobicContact CE1-CD2 4.46Å; Y278-F323 HydrophobicContact CE1-CE2 4.33Å
279S98.3Very high97.1Very high0 Ų013.5 Ų13.50%08%0.084CC..EExtended strand (participates in β ladder)trans-63.3147.6157.9-68.50000109.1A231 R233 G251 I253 L254 V255A231-S279 CarbonylContact O-C 3.57Å; A231-S279 VanDerWaalsContact O-CA 3.28Å; A231-S279 WeakPolarHBondContact O-CA 3.34Å; A231-S279 WeakPolarHBondContact O-CB 3.19Å; R233-S279 PolarHBondContact N-OG 2.94Å; G251-S279 PolarHBondContact O-OG 2.84Å; I253-S279 WeakPolarHBondContact O-CB 3.38Å; I253-S279 PolarHBondContact O-N 3.02Å; L254-S279 CarbonylContact C-O 3.56Å; L254-S279 WeakPolarHBondContact CA-O 3.49Å; V255-S279 PolarHBondContact N-O 2.67Å
280V98.6Very high97Very high0 Ų014.7 Ų14.70%09%0.088CC..EExtended strand (participates in β ladder)trans-135.8143.8-178.5172.90000111.7Y230 A231 L254 V255 P270 P273 L274Y230-V280 CarbonylContact C-O 3.6Å; Y230-V280 WeakPolarHBondContact CA-O 3.35Å; Y230-V280 WeakPolarHBondContact CB-O 3.45Å; A231-V280 PolarHBondContact N-O 3.07Å; A231-V280 PolarHBondContact O-N 2.97Å; L254-V280 VanDerWaalsContact CD1-C 3.49Å; V255-V280 HydrophobicContact CB-CG2 4.48Å; V255-V280 WeakPolarHBondContact O-CA 3.49Å; P270-V280 HydrophobicContact CB-CG1 3.77Å; P270-V280 HydrophobicContact CG-CG1 4.12Å; P273-V280 HydrophobicContact CB-CG2 3.67Å; P273-V280 HydrophobicContact CG-CG2 3.66Å; L274-V280 HydrophobicContact CD2-CB 3.98Å; L274-V280 HydrophobicContact CD2-CG2 3.84Å; L274-V280 HydrophobicContact CG-CB 4.13Å; L274-V280 HydrophobicContact CG-CG2 3.73Å
281L98.8Very high97Very high0 Ų014.9 Ų14.90%09%0.09CC..EExtended strand (participates in β ladder)trans-130.6110.6164.5174.260.8000108.2I216 A228 F229 L254 V255 L256 C257 C307 F310 A311I216-L281 HydrophobicContact CD1-CD1 4.19Å; A228-L281 HydrophobicContact CB-CD1 4.14Å; F229-L281 CarbonylContact O-C 3.45Å; F229-L281 WeakPolarHBondContact O-CA 3.11Å; L254-L281 HydrophobicContact CD1-CB 4.09Å; L254-L281 HydrophobicContact CD2-CB 4.18Å; L254-L281 HydrophobicContact CG-CB 4.39Å; V255-L281 PolarHBondContact O-N 3.38Å; L256-L281 CarbonylContact C-O 3.54Å; L256-L281 WeakPolarHBondContact CA-O 3.41Å; L256-L281 HydrophobicContact CD1-CB 4.29Å; L256-L281 HydrophobicContact CD1-CD2 4.06Å; L256-L281 HydrophobicContact CD1-CG 3.95Å; L256-L281 WeakPolarHBondContact CD1-O 3.29Å; C257-L281 PolarHBondContact N-O 3.49Å; L281-C307 HydrophobicContact CD2-CB 3.88Å; L281-C307 WeakPolarHBondContact CD2-O 3.31Å; L281-C307 HydrophobicContact CG-CB 4.35Å; L281-F310 HydrophobicContact CD1-CD1 4.35Å; L281-F310 HydrophobicContact CD2-CD1 4.08Å; L281-A311 HydrophobicContact CD2-CB 4.11Å
282G98.5Very high96.9Very high0 Ų014.6 Ų14.60%010%0.095CC..EExtended strand (participates in β ladder)trans-109.7156.4172.300000110.9A228 F229A228-G282 CarbonylContact C-O 3.09Å; A228-G282 VanDerWaalsContact CA-O 3.31Å; A228-G282 WeakPolarHBondContact CA-O 3.34Å; A228-G282 WeakPolarHBondContact CB-O 3.36Å; F229-G282 PolarHBondContact N-O 2.97Å; F229-G282 PolarHBondContact O-N 2.92Å
283W98.6Very high96.8Very high0 Ų015.2 Ų15.20%011%0.106CC..EExtended strand (participates in β ladder)trans-148156-174.562.5-75.1000111.8V226 A228 C257 C258 H285 A303 V304 C307 T333V226-W283 HydrophobicContact CG1-CB 4.29Å; V226-W283 HydrophobicContact CG1-CE3 4.09Å; A228-W283 HydrophobicContact CB-CB 3.91Å; C257-W283 PolarHBondContact O-NE1 2.63Å; C258-W283 HydrophobicContact CB-CZ2 4.48Å; C258-W283 PolarHBondContact SG-NE1 2.68Å; W283-H285 AromaticContact CH2-ND1 3.74Å; W283-A303 HydrophobicContact CE3-CB 3.85Å; W283-A303 HydrophobicContact CH2-CB 4.23Å; W283-A303 HydrophobicContact CZ3-CB 3.39Å; W283-V304 HydrophobicContact CH2-CB 4.07Å; W283-V304 HydrophobicContact CZ2-CB 3.61Å; W283-V304 HydrophobicContact CZ2-CG2 3.92Å; W283-C307 WeakPolarHBondContact CB-SG 3.29Å; W283-C307 VanDerWaalsContact CG-SG 3.53Å; W283-T333 HydrophobicContact CH2-CG2 3.95Å; W283-T333 HydrophobicContact CZ2-CG2 4.04Å
284N98.2Very high96.8Very high0 Ų017.5 Ų17.50%012%0.119CC..PPolyproline II helixtrans-94.2126.6175.8-85.8-43.8000110.3E227 Y264 P265 F288 S291E227-N284 HydrophobicContact CB-CB 4.36Å; E227-N284 PolarHBondContact O-N 3.05Å; E227-N284 PolarHBondContact OE2-ND2 3.32Å; Y264-N284 WeakPolarHBondContact CD1-OD1 3.3Å; P265-N284 WeakPolarHBondContact CD-OD1 3.09Å; N284-F288 HydrophobicContact CB-CB 4.12Å; N284-F288 WeakPolarHBondContact CB-O 3.25Å; N284-S291 WeakPolarHBondContact CB-OG 3.4Å; N284-S291 WeakPolarHBondContact O-CB 3.16Å; N284-S291 PolarHBondContact O-OG 2.62Å
285H98.5Very high96.8Very high0 Ų017.4 Ų17.40%012%0.118CC..PPolyproline II helixtrans-46.6150.1167.7-61-77.1000111.8E259 W283 G287 F288 S291 E300E259-H285 PolarHBondContact O-CE1 2.69Å; E259-H285 PolarHBondContact O-NE2 2.83Å; W283-H285 AromaticContact CH2-ND1 3.74Å; H285-G287 PolarHBondContact O-N 2.74Å; H285-F288 HydrophobicContact CB-CB 4.16Å; H285-F288 HydrophobicContact CB-CD1 4.26Å; H285-F288 HydrophobicContact CB-CD2 3.52Å; H285-F288 HydrophobicContact CB-CE1 4.49Å; H285-F288 HydrophobicContact CB-CE2 3.8Å; H285-F288 HydrophobicContact CB-CG 3.77Å; H285-F288 HydrophobicContact CB-CZ 4.29Å; H285-F288 AromaticContact CD2-CD1 3.92Å; H285-F288 AromaticContact CD2-CE1 3.79Å; H285-F288 WeakPolarHBondContact O-CB 3.31Å; H285-F288 PolarHBondContact O-N 3.26Å; H285-S291 VanDerWaalsContact O-CB 3.22Å; H285-S291 WeakPolarHBondContact O-CB 3.16Å; H285-E300 VanDerWaalsContact CB-OE1 3.23Å; H285-E300 WeakPolarHBondContact CB-OE1 3.4Å; H285-E300 IonicContact CE1-OE2 2.66Å; H285-E300 PolarHBondContact CE1-OE2 3.19Å; H285-E300 IonicContact CG-OE1 3.63Å; H285-E300 IonicContact CG-OE2 3.68Å; H285-E300 IonicContact ND1-OE1 2.82Å; H285-E300 PolarHBondContact ND1-OE1 3.11Å; H285-E300 IonicContact ND1-OE2 3.57Å; H285-E300 PolarHBondContact ND1-OE2 3.24Å
286P98Very high97Very high4 Ų416.2 Ų16.23%0.02610%0.098CC..THydrogen-bonded Turntrans-51.5127.2172-27.239.5000111.6F288 T292 P295 K299 E300 A303P286-F288 VanDerWaalsContact C-N 3.32Å; P286-T292 WeakPolarHBondContact CA-O 3.21Å; P286-T292 WeakPolarHBondContact CB-O 3.5Å; P286-P295 HydrophobicContact CB-CB 4.48Å; P286-P295 VanDerWaalsContact O-CD 3.26Å; P286-P295 WeakPolarHBondContact O-CD 3.36Å; P286-K299 HydrophobicContact CB-CB 4.48Å; P286-K299 HydrophobicContact CG-CB 4.02Å; P286-E300 WeakPolarHBondContact CD-OE1 3.46Å; P286-A303 HydrophobicContact CG-CB 4.16Å
287G96.3Very high97.1Very high14 Ų1413.2 Ų13.214%0.1449%0.089CC..THydrogen-bonded Turntrans82.4-3.1-175.300000115.5C188 N193 H285 S291 G293C188-G287 WeakPolarHBondContact CA-O 3.29Å; N193-G287 PolarHBondContact ND2-O 3.18Å; H285-G287 PolarHBondContact O-N 2.74Å; G287-S291 WeakPolarHBondContact CA-O 3.44Å; G287-S291 PolarHBondContact N-O 2.82Å; G287-S291 VanDerWaalsContact N-O 3.11Å; G287-G293 WeakPolarHBondContact CA-O 3.19Å; G287-G293 PolarHBondContact N-O 2.91Å
288F97Very high97.1Very high0 Ų018.3 Ų18.30%011%0.111CC..SBendtrans-95.8145.9171.1-72.7-135.7000109.8Y185 G187 C188 G263 Y264 N284 H285 P286 E290 S291 P295Y185-F288 HydrophobicContact CD1-CE2 4.09Å; Y185-F288 HydrophobicContact CD1-CZ 4.01Å; Y185-F288 HydrophobicContact CG-CE2 4.49Å; G187-F288 VanDerWaalsContact C-CD2 3.5Å; C188-F288 HydrophobicContact CB-CD2 3.97Å; C188-F288 HydrophobicContact CB-CE2 3.85Å; G263-F288 WeakPolarHBondContact O-CD1 3.45Å; Y264-F288 HydrophobicContact CD1-CB 4.37Å; Y264-F288 HydrophobicContact CD1-CD1 4.33Å; Y264-F288 HydrophobicContact CE1-CB 4.02Å; Y264-F288 AromaticContact CE1-CD1 3.98Å; Y264-F288 HydrophobicContact CE1-CD1 3.98Å; Y264-F288 HydrophobicContact CE1-CG 4.36Å; N284-F288 HydrophobicContact CB-CB 4.12Å; N284-F288 WeakPolarHBondContact CB-O 3.25Å; H285-F288 HydrophobicContact CB-CB 4.16Å; H285-F288 HydrophobicContact CB-CD1 4.26Å; H285-F288 HydrophobicContact CB-CD2 3.52Å; H285-F288 HydrophobicContact CB-CE1 4.49Å; H285-F288 HydrophobicContact CB-CE2 3.8Å; H285-F288 HydrophobicContact CB-CG 3.77Å; H285-F288 HydrophobicContact CB-CZ 4.29Å; H285-F288 AromaticContact CD2-CD1 3.92Å; H285-F288 AromaticContact CD2-CE1 3.79Å; H285-F288 WeakPolarHBondContact O-CB 3.31Å; H285-F288 PolarHBondContact O-N 3.26Å; P286-F288 VanDerWaalsContact C-N 3.32Å; F288-E290 PolarHBondContact O-N 3.36Å; F288-S291 VanDerWaalsContact O-CB 3.29Å; F288-S291 WeakPolarHBondContact O-CB 3.42Å; F288-S291 PolarHBondContact O-N 3.44Å; F288-P295 HydrophobicContact CE2-CG 4.48Å
289G93.5Very high97.1Very high15 Ų1519.9 Ų19.916%0.15512%0.118CC..THydrogen-bonded Turntrans56.7-124.7-179.700000110.7N193N193-G289 PolarHBondContact OD1-N 2.76Å
290E93.6Very high97.1Very high39 Ų3919.9 Ų19.918%0.18212%0.118CC..THydrogen-bonded Turntrans-104.29.5174.5-58.2-73.716200113.1S134 S135 F225 E227 F288S134-E290 VanDerWaalsContact CA-OE1 3.3Å; S134-E290 WeakPolarHBondContact CA-OE1 3.42Å; S134-E290 VanDerWaalsContact CB-OE1 3.24Å; S134-E290 WeakPolarHBondContact CB-OE1 3.27Å; S134-E290 PolarHBondContact OG-OE1 2.76Å; S135-E290 WeakPolarHBondContact CA-OE2 3.27Å; S135-E290 PolarHBondContact N-OE2 2.98Å; F225-E290 VanDerWaalsContact CD1-O 3.29Å; F225-E290 WeakPolarHBondContact CD1-O 3.49Å; E227-E290 HydrophobicContact CB-CB 4.46Å; E227-E290 PolarHBondContact OE2-N 3.28Å; F288-E290 PolarHBondContact O-N 3.36Å
291S97.3Very high97.1Very high8 Ų820.9 Ų20.96%0.05612%0.123CC..  trans-68.7138.8171.4-68.60000110.9F225 E227 N284 H285 G287 F288F225-S291 WeakPolarHBondContact O-CA 3.18Å; E227-S291 PolarHBondContact N-OG 2.79Å; N284-S291 WeakPolarHBondContact CB-OG 3.4Å; N284-S291 WeakPolarHBondContact O-CB 3.16Å; N284-S291 PolarHBondContact O-OG 2.62Å; H285-S291 VanDerWaalsContact O-CB 3.22Å; H285-S291 WeakPolarHBondContact O-CB 3.16Å; G287-S291 WeakPolarHBondContact CA-O 3.44Å; G287-S291 PolarHBondContact N-O 2.82Å; G287-S291 VanDerWaalsContact N-O 3.11Å; F288-S291 VanDerWaalsContact O-CB 3.29Å; F288-S291 WeakPolarHBondContact O-CB 3.42Å; F288-S291 PolarHBondContact O-N 3.44Å
292T96.1Very high97.1Very high55 Ų5521.1 Ų21.134%0.33712%0.124SC..  trans-91.3159.3-177.8580000112.2F225 P286F225-T292 HydrophobicContact CB-CG2 3.97Å; F225-T292 PolarHBondContact N-OG1 3.3Å; F225-T292 PolarHBondContact O-N 3.47Å; F225-T292 PolarHBondContact O-OG1 3.1Å; P286-T292 WeakPolarHBondContact CA-O 3.21Å; P286-T292 WeakPolarHBondContact CB-O 3.5Å
293G95.4Very high97.1Very high39 Ų3921.1 Ų21.140%0.40212%0.124SC..SBendtrans96.5-161.8172.400000113.9G287G287-G293 WeakPolarHBondContact CA-O 3.19Å; G287-G293 PolarHBondContact N-O 2.91Å
294L96.8Very high97.1Very high49 Ų4921.1 Ų21.126%0.25712%0.124SC..  trans-126.5143175.1-70.7174.9000109.1I181 F296 K299I181-L294 HydrophobicContact CG1-CB 4.31Å; I181-L294 HydrophobicContact CG2-CD1 4.46Å; L294-F296 HydrophobicContact CB-CD2 3.92Å; L294-F296 HydrophobicContact CB-CE2 4Å; L294-F296 HydrophobicContact CD1-CE2 4.09Å; L294-F296 PolarHBondContact O-N 3.2Å; L294-K299 WeakPolarHBondContact O-CB 3.31Å; L294-K299 WeakPolarHBondContact O-CG 3.47Å
295P97.6Very high97Very high0 Ų021.2 Ų21.20%012%0.124CC..  trans-81.250.5-168.733.5-35.6000112.3I181 Y185 C188 P286 F288 E300I181-P295 HydrophobicContact CD1-CG 3.94Å; I181-P295 WeakPolarHBondContact CD1-O 3.34Å; I181-P295 HydrophobicContact CG1-CG 4.25Å; Y185-P295 HydrophobicContact CD1-CB 3.96Å; Y185-P295 HydrophobicContact CD1-CG 3.98Å; Y185-P295 HydrophobicContact CD2-CB 3.9Å; Y185-P295 HydrophobicContact CD2-CG 3.59Å; Y185-P295 HydrophobicContact CE1-CB 4.25Å; Y185-P295 HydrophobicContact CE2-CB 4.19Å; Y185-P295 HydrophobicContact CE2-CG 4.36Å; Y185-P295 VanDerWaalsContact CE2-O 3.23Å; Y185-P295 WeakPolarHBondContact CE2-O 3.29Å; Y185-P295 HydrophobicContact CG-CB 3.79Å; Y185-P295 HydrophobicContact CG-CG 3.38Å; C188-P295 HydrophobicContact CB-CG 3.92Å; P286-P295 HydrophobicContact CB-CB 4.48Å; P286-P295 VanDerWaalsContact O-CD 3.26Å; P286-P295 WeakPolarHBondContact O-CD 3.36Å; F288-P295 HydrophobicContact CE2-CG 4.48Å; P295-E300 HydrophobicContact CB-CG 4.07Å; P295-E300 VanDerWaalsContact CB-OE1 3.24Å; P295-E300 WeakPolarHBondContact CB-OE1 3.37Å
296F97.8Very high97Very high26 Ų2621.2 Ų21.211%0.11412%0.124CC..  trans-64.9152.6169.9-77.6-76.5000109.9H177 I181 L294 E298 K299 E300 L380H177-F296 HydrophobicContact CB-CZ 4.31Å; H177-F296 AromaticContact CD2-CE2 3.69Å; H177-F296 AromaticContact CD2-CZ 3.48Å; H177-F296 VanDerWaalsContact CD2-CZ 3.48Å; H177-F296 WeakPolarHBondContact CD2-CZ 3.46Å; H177-F296 AromaticContact CE1-CZ 3.85Å; H177-F296 AromaticContact CG-CZ 3.67Å; H177-F296 AromaticContact ND1-CZ 3.91Å; H177-F296 AromaticContact NE2-CE2 3.94Å; H177-F296 AromaticContact NE2-CZ 3.62Å; I181-F296 HydrophobicContact CB-CE1 4.24Å; I181-F296 HydrophobicContact CB-CE2 4.46Å; I181-F296 HydrophobicContact CB-CZ 4.02Å; I181-F296 HydrophobicContact CD1-CD1 4.05Å; I181-F296 HydrophobicContact CD1-CD2 4.37Å; I181-F296 HydrophobicContact CD1-CE1 4.22Å; I181-F296 HydrophobicContact CD1-CG 4.13Å; I181-F296 HydrophobicContact CD1-CZ 4.47Å; I181-F296 HydrophobicContact CG1-CD2 4.4Å; I181-F296 HydrophobicContact CG1-CE1 4.37Å; I181-F296 HydrophobicContact CG1-CE2 4.17Å; I181-F296 HydrophobicContact CG1-CZ 4.17Å; I181-F296 HydrophobicContact CG2-CZ 4.33Å; L294-F296 HydrophobicContact CB-CD2 3.92Å; L294-F296 HydrophobicContact CB-CE2 4Å; L294-F296 HydrophobicContact CD1-CE2 4.09Å; L294-F296 PolarHBondContact O-N 3.2Å; F296-E298 VanDerWaalsContact C-N 3.28Å; F296-E298 PolarHBondContact O-N 3.34Å; F296-E298 VanDerWaalsContact O-N 3.11Å; F296-K299 HydrophobicContact CB-CG 4.12Å; F296-K299 CarbonylContact O-C 3.53Å; F296-K299 WeakPolarHBondContact O-CA 3.36Å; F296-K299 WeakPolarHBondContact O-CB 3.3Å; F296-K299 PolarHBondContact O-N 3.36Å; F296-E300 PolarHBondContact O-N 2.82Å; F296-L380 HydrophobicContact CD1-CD2 4.1Å; F296-L380 HydrophobicContact CE1-CD2 4.24Å
297P97.3Very high97.1Very high15 Ų1521 Ų2110%0.09712%0.123CC..Hα-helixtrans-50.5-43.6-174.2-2732.4000114K299 E300 Q301 Y332 Y379 L382P297-K299 VanDerWaalsContact C-N 3.35Å; P297-K299 PolarHBondContact O-N 2.79Å; P297-E300 WeakPolarHBondContact O-CB 3.32Å; P297-E300 PolarHBondContact O-N 3.2Å; P297-Q301 WeakPolarHBondContact O-CG 3.25Å; P297-Q301 PolarHBondContact O-N 3.16Å; P297-Y332 HydrophobicContact CB-CE1 3.9Å; P297-Y332 WeakPolarHBondContact CB-OH 3.31Å; P297-Y379 WeakPolarHBondContact CD-O 3.4Å; P297-Y379 WeakPolarHBondContact CG-O 3.46Å; P297-L382 HydrophobicContact CB-CD2 4.19Å; P297-L382 HydrophobicContact CG-CD2 3.85Å
298E96Very high97.2Very high113 Ų11320.6 Ų20.653%0.52812%0.117SC..Hα-helixtrans-65.8-35.3176.3-177.9173.9-165.100113.3F296 Q301 N302F296-E298 VanDerWaalsContact C-N 3.28Å; F296-E298 PolarHBondContact O-N 3.34Å; F296-E298 VanDerWaalsContact O-N 3.11Å; E298-Q301 PolarHBondContact O-N 2.81Å; E298-N302 WeakPolarHBondContact O-CB 3.1Å; E298-N302 VanDerWaalsContact O-CG 3.23Å; E298-N302 PolarHBondContact O-N 3.44Å; E298-N302 PolarHBondContact O-ND2 3.2Å
299K97.6Very high97.3Very high41 Ų4120.7 Ų20.718%0.17812%0.118CC..Hα-helixtrans-72-39.8178.4-56.1-47.7-150.9158.90111.6E222 E224 P286 L294 F296 P297 N302 A303E222-K299 IonicContact OE2-NZ 3.79Å; E222-K299 PolarHBondContact OE2-NZ 3.36Å; E224-K299 WeakPolarHBondContact OE1-CE 3.36Å; E224-K299 IonicContact OE1-NZ 3.18Å; E224-K299 PolarHBondContact OE1-NZ 3.34Å; E224-K299 VanDerWaalsContact OE1-NZ 3.15Å; E224-K299 WeakPolarHBondContact OE2-CD 3.04Å; E224-K299 WeakPolarHBondContact OE2-CE 3.37Å; E224-K299 IonicContact OE2-NZ 3.84Å; E224-K299 PolarHBondContact OE2-NZ 3.24Å; P286-K299 HydrophobicContact CB-CB 4.48Å; P286-K299 HydrophobicContact CG-CB 4.02Å; L294-K299 WeakPolarHBondContact O-CB 3.31Å; L294-K299 WeakPolarHBondContact O-CG 3.47Å; F296-K299 HydrophobicContact CB-CG 4.12Å; F296-K299 CarbonylContact O-C 3.53Å; F296-K299 WeakPolarHBondContact O-CA 3.36Å; F296-K299 WeakPolarHBondContact O-CB 3.3Å; F296-K299 PolarHBondContact O-N 3.36Å; P297-K299 VanDerWaalsContact C-N 3.35Å; P297-K299 PolarHBondContact O-N 2.79Å; K299-N302 WeakPolarHBondContact O-CB 3.28Å; K299-N302 PolarHBondContact O-N 3.37Å; K299-A303 WeakPolarHBondContact O-CB 3.13Å; K299-A303 PolarHBondContact O-N 3.48Å
300E98.2Very high97.5Very high0 Ų020.2 Ų20.20%011%0.111CC..Hα-helixtrans-57.1-49.8169.3-76.6-70.3121.500111.5H285 P286 P295 F296 P297 N302 A303 V304 T333H285-E300 VanDerWaalsContact CB-OE1 3.23Å; H285-E300 WeakPolarHBondContact CB-OE1 3.4Å; H285-E300 IonicContact CE1-OE2 2.66Å; H285-E300 PolarHBondContact CE1-OE2 3.19Å; H285-E300 IonicContact CG-OE1 3.63Å; H285-E300 IonicContact CG-OE2 3.68Å; H285-E300 IonicContact ND1-OE1 2.82Å; H285-E300 PolarHBondContact ND1-OE1 3.11Å; H285-E300 IonicContact ND1-OE2 3.57Å; H285-E300 PolarHBondContact ND1-OE2 3.24Å; P286-E300 WeakPolarHBondContact CD-OE1 3.46Å; P295-E300 HydrophobicContact CB-CG 4.07Å; P295-E300 VanDerWaalsContact CB-OE1 3.24Å; P295-E300 WeakPolarHBondContact CB-OE1 3.37Å; F296-E300 PolarHBondContact O-N 2.82Å; P297-E300 WeakPolarHBondContact O-CB 3.32Å; P297-E300 PolarHBondContact O-N 3.2Å; E300-N302 PolarHBondContact O-N 2.62Å; E300-A303 PolarHBondContact O-N 3.44Å; E300-V304 PolarHBondContact O-N 3.01Å; E300-T333 HydrophobicContact CB-CG2 3.67Å; E300-T333 HydrophobicContact CG-CG2 4.5Å; E300-T333 WeakPolarHBondContact OE2-CG2 3.38Å
301Q98Very high97.7Very high21 Ų2118.4 Ų18.410%0.09810%0.103CC..Hα-helixtrans-59.1-45.4176.3-68.8167.513.900112.1T157 P297 E298 A303 V304 E305 Y332 W336T157-Q301 PolarHBondContact OG1-NE2 3.05Å; P297-Q301 WeakPolarHBondContact O-CG 3.25Å; P297-Q301 PolarHBondContact O-N 3.16Å; E298-Q301 PolarHBondContact O-N 2.81Å; Q301-A303 VanDerWaalsContact C-N 3.29Å; Q301-A303 PolarHBondContact O-N 2.95Å; Q301-V304 WeakPolarHBondContact O-CG1 3.4Å; Q301-E305 WeakPolarHBondContact O-CB 3.43Å; Q301-E305 PolarHBondContact O-N 2.73Å; Q301-Y332 HydrophobicContact CG-CE1 4.2Å; Q301-Y332 PolarHBondContact NE2-OH 2.96Å; Q301-W336 HydrophobicContact CB-CD2 3.98Å; Q301-W336 HydrophobicContact CB-CE3 4.25Å; Q301-W336 HydrophobicContact CB-CH2 4.29Å; Q301-W336 HydrophobicContact CB-CZ2 3.99Å; Q301-W336 HydrophobicContact CB-CZ3 4.41Å; Q301-W336 VanDerWaalsContact CD-NE1 3.29Å; Q301-W336 HydrophobicContact CG-CD2 3.68Å; Q301-W336 HydrophobicContact CG-CE3 4.36Å; Q301-W336 HydrophobicContact CG-CG 3.71Å; Q301-W336 HydrophobicContact CG-CZ2 4.3Å
302N97.8Very high97.8Very high5 Ų519.2 Ų19.23%0.02711%0.108CC..Hα-helixtrans-59.6-40.1176.2-80.4-26.9000112.2K154 T220 E298 K299 E300 A306K154-N302 PolarHBondContact NZ-OD1 3.19Å; T220-N302 HydrophobicContact CG2-CB 4.03Å; T220-N302 WeakPolarHBondContact CG2-O 3.21Å; E298-N302 WeakPolarHBondContact O-CB 3.1Å; E298-N302 VanDerWaalsContact O-CG 3.23Å; E298-N302 PolarHBondContact O-N 3.44Å; E298-N302 PolarHBondContact O-ND2 3.2Å; K299-N302 WeakPolarHBondContact O-CB 3.28Å; K299-N302 PolarHBondContact O-N 3.37Å; E300-N302 PolarHBondContact O-N 2.62Å; N302-A306 PolarHBondContact O-N 2.89Å; N302-A306 VanDerWaalsContact O-N 3.15Å
303A98.6Very high97.8Very high0 Ų019.1 Ų19.10%010%0.103CC..Hα-helixtrans-72.5-47.6-177.500000112.4V226 W283 P286 K299 E300 Q301 E305 A306 C307V226-A303 HydrophobicContact CG1-CB 4.25Å; V226-A303 HydrophobicContact CG2-CB 3.58Å; W283-A303 HydrophobicContact CE3-CB 3.85Å; W283-A303 HydrophobicContact CH2-CB 4.23Å; W283-A303 HydrophobicContact CZ3-CB 3.39Å; P286-A303 HydrophobicContact CG-CB 4.16Å; K299-A303 WeakPolarHBondContact O-CB 3.13Å; K299-A303 PolarHBondContact O-N 3.48Å; E300-A303 PolarHBondContact O-N 3.44Å; Q301-A303 VanDerWaalsContact C-N 3.29Å; Q301-A303 PolarHBondContact O-N 2.95Å; A303-E305 VanDerWaalsContact C-N 3.31Å; A303-E305 PolarHBondContact O-N 2.88Å; A303-A306 WeakPolarHBondContact O-CB 3.29Å; A303-A306 PolarHBondContact O-N 3.08Å; A303-C307 PolarHBondContact O-N 3.17Å; A303-C307 PolarHBondContact O-SG 3.33Å
304V98.6Very high97.9Very high0 Ų024.7 Ų24.70%011%0.112CC..Hα-helixtrans-65.4-35.5176.671.30000111.7L256 W283 E300 Q301 A306 C307 F308 T333 W336 I337L256-V304 HydrophobicContact CD2-CG2 4.05Å; W283-V304 HydrophobicContact CH2-CB 4.07Å; W283-V304 HydrophobicContact CZ2-CB 3.61Å; W283-V304 HydrophobicContact CZ2-CG2 3.92Å; E300-V304 PolarHBondContact O-N 3.01Å; Q301-V304 WeakPolarHBondContact O-CG1 3.4Å; V304-A306 PolarHBondContact O-N 2.92Å; V304-C307 WeakPolarHBondContact O-CB 3.35Å; V304-C307 PolarHBondContact O-N 3.26Å; V304-F308 PolarHBondContact O-N 2.87Å; V304-T333 HydrophobicContact CB-CG2 4.25Å; V304-T333 HydrophobicContact CG1-CG2 4.03Å; V304-W336 HydrophobicContact CG1-CE3 3.93Å; V304-W336 HydrophobicContact CG1-CZ3 4.21Å; V304-I337 HydrophobicContact CB-CD1 4.43Å; V304-I337 HydrophobicContact CB-CG1 4.3Å; V304-I337 HydrophobicContact CG1-CD1 3.87Å; V304-I337 HydrophobicContact CG1-CG1 3.82Å; V304-I337 HydrophobicContact CG2-CD1 4Å; V304-I337 HydrophobicContact CG2-CG1 3.55Å
305E98.2Very high97.8Very high2 Ų223 Ų231%0.00910%0.104CC..Hα-helixtrans-62.5-42.4174.8-177.5177-129.600111.7K154 R221 Q301 A303 C307 F308 L309 W336 Y341K154-E305 WeakPolarHBondContact CE-OE2 3.39Å; K154-E305 IonicContact NZ-OE2 3.79Å; K154-E305 PolarHBondContact NZ-OE2 3.36Å; K154-E305 VanDerWaalsContact NZ-OE2 3.14Å; R221-E305 IonicContact CZ-OE1 3.38Å; R221-E305 IonicContact CZ-OE2 2.89Å; R221-E305 IonicContact NE-OE1 2.71Å; R221-E305 IonicContact NE-OE2 3.46Å; R221-E305 PolarHBondContact NE-OE2 3.31Å; R221-E305 IonicContact NH2-OE1 3.14Å; R221-E305 PolarHBondContact NH2-OE1 3.41Å; R221-E305 IonicContact NH2-OE2 3.42Å; Q301-E305 WeakPolarHBondContact O-CB 3.43Å; Q301-E305 PolarHBondContact O-N 2.73Å; A303-E305 VanDerWaalsContact C-N 3.31Å; A303-E305 PolarHBondContact O-N 2.88Å; E305-C307 PolarHBondContact O-N 3.42Å; E305-F308 PolarHBondContact O-N 3.03Å; E305-L309 HydrophobicContact CG-CD1 3.73Å; E305-L309 HydrophobicContact CG-CG 4.07Å; E305-L309 WeakPolarHBondContact O-CB 3.44Å; E305-L309 VanDerWaalsContact O-CG 3.31Å; E305-L309 WeakPolarHBondContact O-CG 3.34Å; E305-L309 PolarHBondContact O-N 3.27Å; E305-W336 HydrophobicContact CB-CH2 4.05Å; E305-W336 HydrophobicContact CB-CZ3 3.87Å; E305-W336 HydrophobicContact CG-CH2 4.39Å; E305-W336 HydrophobicContact CG-CZ3 4.49Å; E305-Y341 HydrophobicContact CG-CE2 4.29Å; E305-Y341 WeakPolarHBondContact CG-OH 3.32Å; E305-Y341 PolarHBondContact OE1-OH 3.06Å
306A98.5Very high97.8Very high0 Ų031.4 Ų31.40%014%0.135CC..Hα-helixtrans-59.4-37.6176.500000111.5V143 L218 T220 N302 A303 V304 F310V143-A306 HydrophobicContact CG2-CB 3.73Å; L218-A306 HydrophobicContact CB-CB 4.25Å; L218-A306 HydrophobicContact CD1-CB 4.44Å; T220-A306 HydrophobicContact CG2-CB 4.36Å; N302-A306 PolarHBondContact O-N 2.89Å; N302-A306 VanDerWaalsContact O-N 3.15Å; A303-A306 WeakPolarHBondContact O-CB 3.29Å; A303-A306 PolarHBondContact O-N 3.08Å; V304-A306 PolarHBondContact O-N 2.92Å; A306-F310 VanDerWaalsContact O-CB 3.27Å; A306-F310 WeakPolarHBondContact O-CB 3.49Å; A306-F310 PolarHBondContact O-N 2.82Å
307C98.7Very high97.8Very high0 Ų030.2 Ų30.20%013%0.13CC..Hα-helixtrans-66.6-48174.9-58.40000111.6L218 L256 L281 W283 A303 V304 E305 L309 F310 A311L218-C307 HydrophobicContact CD1-CB 4.28Å; L218-C307 VanDerWaalsContact CD1-SG 3.56Å; L256-C307 HydrophobicContact CD1-CB 3.82Å; L281-C307 HydrophobicContact CD2-CB 3.88Å; L281-C307 WeakPolarHBondContact CD2-O 3.31Å; L281-C307 HydrophobicContact CG-CB 4.35Å; W283-C307 WeakPolarHBondContact CB-SG 3.29Å; W283-C307 VanDerWaalsContact CG-SG 3.53Å; A303-C307 PolarHBondContact O-N 3.17Å; A303-C307 PolarHBondContact O-SG 3.33Å; V304-C307 WeakPolarHBondContact O-CB 3.35Å; V304-C307 PolarHBondContact O-N 3.26Å; E305-C307 PolarHBondContact O-N 3.42Å; C307-L309 PolarHBondContact O-N 3.18Å; C307-F310 WeakPolarHBondContact O-CB 3.24Å; C307-F310 PolarHBondContact O-N 2.7Å; C307-A311 PolarHBondContact O-N 2.91Å
308F98.7Very high97.9Very high4 Ų434.9 Ų34.92%0.01815%0.151CC..Hα-helixtrans-59.8-48.1177.3-177.3-94.5000112L256 V304 E305 F310 A311 V312 P319 I322 I337 Y341 I344L256-F308 HydrophobicContact CD2-CB 4.21Å; L256-F308 HydrophobicContact CD2-CD2 4.42Å; V304-F308 PolarHBondContact O-N 2.87Å; E305-F308 PolarHBondContact O-N 3.03Å; F308-F310 VanDerWaalsContact C-N 3.3Å; F308-F310 PolarHBondContact O-N 3.23Å; F308-A311 WeakPolarHBondContact O-CB 3.23Å; F308-A311 PolarHBondContact O-N 2.92Å; F308-A311 VanDerWaalsContact O-N 3.14Å; F308-V312 HydrophobicContact CD1-CG2 4.2Å; F308-V312 HydrophobicContact CE1-CG2 3.7Å; F308-V312 HydrophobicContact CE2-CG2 4.37Å; F308-V312 HydrophobicContact CZ-CG2 3.81Å; F308-V312 WeakPolarHBondContact O-CG2 3.23Å; F308-V312 PolarHBondContact O-N 3.25Å; F308-P319 HydrophobicContact CZ-CB 4.22Å; F308-P319 HydrophobicContact CZ-CG 4.36Å; F308-I322 HydrophobicContact CD2-CD1 4.18Å; F308-I322 HydrophobicContact CD2-CG2 4.47Å; F308-I322 HydrophobicContact CE2-CD1 3.76Å; F308-I322 HydrophobicContact CE2-CG2 4.32Å; F308-I322 HydrophobicContact CZ-CD1 4.39Å; F308-I337 HydrophobicContact CB-CD1 3.81Å; F308-I337 HydrophobicContact CD2-CG2 3.93Å; F308-I337 HydrophobicContact CE2-CG2 4.32Å; F308-I337 HydrophobicContact CG-CD1 4.24Å; F308-I337 HydrophobicContact CG-CG2 4.45Å; F308-Y341 AromaticContact CD1-CD1 3.8Å; F308-Y341 HydrophobicContact CD1-CD1 3.8Å; F308-Y341 AromaticContact CD1-CD2 3.87Å; F308-Y341 HydrophobicContact CD1-CD2 3.87Å; F308-Y341 AromaticContact CD1-CE1 3.89Å; F308-Y341 HydrophobicContact CD1-CE1 3.89Å; F308-Y341 AromaticContact CD1-CE2 3.99Å; F308-Y341 HydrophobicContact CD1-CE2 3.99Å; F308-Y341 AromaticContact CD1-CG 3.79Å; F308-Y341 HydrophobicContact CD1-CG 3.79Å; F308-Y341 AromaticContact CD1-CZ 4Å; F308-Y341 AromaticContact CE1-CD1 3.23Å; F308-Y341 HydrophobicContact CE1-CD1 3.23Å; F308-Y341 AromaticContact CE1-CD2 3.98Å; F308-Y341 HydrophobicContact CE1-CD2 3.98Å; F308-Y341 AromaticContact CE1-CE1 3.69Å; F308-Y341 HydrophobicContact CE1-CE1 3.69Å; F308-Y341 HydrophobicContact CE1-CE2 4.39Å; F308-Y341 AromaticContact CE1-CG 3.39Å; F308-Y341 HydrophobicContact CE1-CG 3.39Å; F308-Y341 HydrophobicContact CG-CD2 4.38Å; F308-Y341 AromaticContact CZ-CD1 3.97Å; F308-Y341 HydrophobicContact CZ-CD1 3.97Å; F308-Y341 AromaticContact CZ-CG 3.83Å; F308-Y341 HydrophobicContact CZ-CG 3.83Å; F308-I344 HydrophobicContact CE2-CG2 3.56Å; F308-I344 HydrophobicContact CZ-CG2 4.11Å
309L98.3Very high98Very high3 Ų330.9 Ų30.92%0.01613%0.134CC..Hα-helixtrans-65.7-33.1178.7-67.9176.2000112.3F141 V143 L146 L151 E305 C307 H313 Y341F141-L309 HydrophobicContact CE1-CB 3.91Å; F141-L309 HydrophobicContact CZ-CB 4.08Å; F141-L309 WeakPolarHBondContact CZ-O 2.88Å; V143-L309 HydrophobicContact CG1-CD1 3.72Å; V143-L309 HydrophobicContact CG2-CD1 4.2Å; L146-L309 HydrophobicContact CD1-CB 4.13Å; L146-L309 HydrophobicContact CD1-CD1 3.94Å; L146-L309 HydrophobicContact CD1-CD2 4.44Å; L146-L309 HydrophobicContact CD1-CG 4.41Å; L151-L309 HydrophobicContact CD2-CD1 3.87Å; E305-L309 HydrophobicContact CG-CD1 3.73Å; E305-L309 HydrophobicContact CG-CG 4.07Å; E305-L309 WeakPolarHBondContact O-CB 3.44Å; E305-L309 VanDerWaalsContact O-CG 3.31Å; E305-L309 WeakPolarHBondContact O-CG 3.34Å; E305-L309 PolarHBondContact O-N 3.27Å; C307-L309 PolarHBondContact O-N 3.18Å; L309-H313 WeakPolarHBondContact O-CB 3.39Å; L309-H313 PolarHBondContact O-CD2 3.41Å; L309-H313 PolarHBondContact O-N 3.05Å; L309-Y341 HydrophobicContact CD2-CE1 4.39Å
310F98.3Very high97.9Very high4 Ų432.8 Ų32.82%0.01815%0.153CC..Iπ-helixtrans-62.5-47.6170.5171.3-100.8000111.2F141 I216 L218 Y230 L281 A306 C307 F308 V312 R314 L315F141-F310 HydrophobicContact CB-CD2 3.59Å; F141-F310 HydrophobicContact CB-CE2 4.28Å; F141-F310 HydrophobicContact CD1-CB 3.82Å; F141-F310 HydrophobicContact CD1-CD2 4.35Å; F141-F310 HydrophobicContact CD2-CD2 4.25Å; F141-F310 HydrophobicContact CE1-CB 4.07Å; F141-F310 HydrophobicContact CG-CB 4.16Å; F141-F310 AromaticContact CG-CD2 3.85Å; F141-F310 HydrophobicContact CG-CD2 3.85Å; I216-F310 HydrophobicContact CD1-CD1 3.74Å; I216-F310 HydrophobicContact CD1-CD2 4.45Å; I216-F310 HydrophobicContact CD1-CE1 3.22Å; I216-F310 HydrophobicContact CD1-CE2 3.99Å; I216-F310 HydrophobicContact CD1-CG 4.33Å; I216-F310 HydrophobicContact CD1-CZ 3.37Å; I216-F310 HydrophobicContact CG2-CZ 4.49Å; L218-F310 HydrophobicContact CD1-CB 4.43Å; L218-F310 HydrophobicContact CD2-CB 3.95Å; L218-F310 HydrophobicContact CD2-CD2 3.76Å; L218-F310 HydrophobicContact CD2-CE2 4.35Å; L218-F310 HydrophobicContact CD2-CG 3.83Å; Y230-F310 HydrophobicContact CD1-CE1 4.2Å; Y230-F310 HydrophobicContact CD1-CZ 4.32Å; Y230-F310 HydrophobicContact CE1-CE1 4.49Å; Y230-F310 HydrophobicContact CE1-CZ 4.19Å; Y230-F310 HydrophobicContact CG-CE1 4.26Å; L281-F310 HydrophobicContact CD1-CD1 4.35Å; L281-F310 HydrophobicContact CD2-CD1 4.08Å; A306-F310 VanDerWaalsContact O-CB 3.27Å; A306-F310 WeakPolarHBondContact O-CB 3.49Å; A306-F310 PolarHBondContact O-N 2.82Å; C307-F310 WeakPolarHBondContact O-CB 3.24Å; C307-F310 PolarHBondContact O-N 2.7Å; F308-F310 VanDerWaalsContact C-N 3.3Å; F308-F310 PolarHBondContact O-N 3.23Å; F310-V312 VanDerWaalsContact C-N 3.32Å; F310-V312 PolarHBondContact O-N 2.72Å; F310-R314 HydrophobicContact CD2-CB 3.57Å; F310-R314 HydrophobicContact CD2-CG 3.78Å; F310-R314 HydrophobicContact CE2-CB 3.77Å; F310-R314 HydrophobicContact CE2-CG 3.44Å; F310-R314 VanDerWaalsContact CE2-CG 3.44Å; F310-R314 HydrophobicContact CG-CB 4.32Å; F310-R314 HydrophobicContact CZ-CG 4.24Å; F310-R314 WeakPolarHBondContact O-CA 3.35Å; F310-R314 VanDerWaalsContact O-CB 3.26Å; F310-R314 WeakPolarHBondContact O-CB 3.21Å; F310-R314 PolarHBondContact O-N 3.25Å; F310-L315 HydrophobicContact CD1-CD1 4.1Å; F310-L315 HydrophobicContact CD1-CG 4.05Å; F310-L315 HydrophobicContact CE1-CD1 3.6Å; F310-L315 HydrophobicContact CE1-CD2 3.8Å; F310-L315 HydrophobicContact CE1-CG 3.54Å; F310-L315 HydrophobicContact CZ-CD1 4.41Å; F310-L315 HydrophobicContact CZ-CD2 3.74Å; F310-L315 HydrophobicContact CZ-CG 3.95Å; F310-L315 PolarHBondContact O-N 2.83Å
311A98.5Very high97.9Very high1 Ų135 Ų351%0.00816%0.163CC..Iπ-helixtrans-56.9-45.9176.500000112L254 L281 C307 F308 L315 R316 F317 I322L254-A311 HydrophobicContact CD2-CB 3.35Å; L281-A311 HydrophobicContact CD2-CB 4.11Å; C307-A311 PolarHBondContact O-N 2.91Å; F308-A311 WeakPolarHBondContact O-CB 3.23Å; F308-A311 PolarHBondContact O-N 2.92Å; F308-A311 VanDerWaalsContact O-N 3.14Å; A311-L315 CarbonylContact O-C 3.51Å; A311-L315 WeakPolarHBondContact O-CB 3.2Å; A311-L315 PolarHBondContact O-N 3.15Å; A311-R316 PolarHBondContact O-N 2.69Å; A311-F317 PolarHBondContact O-N 3.02Å; A311-I322 HydrophobicContact CB-CD1 3.93Å
312V98.1Very high97.9Very high26 Ų2634 Ų3416%0.15816%0.158CC..Iπ-helixtrans-72.1-54.2-178.9178.20000112.4F308 F310 R316 F317 P319 I322F308-V312 HydrophobicContact CD1-CG2 4.2Å; F308-V312 HydrophobicContact CE1-CG2 3.7Å; F308-V312 HydrophobicContact CE2-CG2 4.37Å; F308-V312 HydrophobicContact CZ-CG2 3.81Å; F308-V312 WeakPolarHBondContact O-CG2 3.23Å; F308-V312 PolarHBondContact O-N 3.25Å; F310-V312 VanDerWaalsContact C-N 3.32Å; F310-V312 PolarHBondContact O-N 2.72Å; V312-R316 VanDerWaalsContact O-CA 3.26Å; V312-R316 WeakPolarHBondContact O-CA 3.48Å; V312-R316 PolarHBondContact O-N 3.22Å; V312-F317 WeakPolarHBondContact CA-O 3.33Å; V312-P319 HydrophobicContact CG2-CG 4.29Å; V312-I322 HydrophobicContact CG2-CD1 3.94Å
313H97.3Very high98Very high53 Ų5334.9 Ų34.925%0.24516%0.162CC..Iπ-helixtrans-88.3-31.4-168.4-66.1-64.9000113.9F141 L146 L309 R316F141-H313 HydrophobicContact CE2-CB 4.15Å; F141-H313 HydrophobicContact CZ-CB 4.23Å; L146-H313 HydrophobicContact CD2-CB 3.97Å; L309-H313 WeakPolarHBondContact O-CB 3.39Å; L309-H313 PolarHBondContact O-CD2 3.41Å; L309-H313 PolarHBondContact O-N 3.05Å; H313-R316 PolarHBondContact O-NE 2.83Å
314R96.2Very high98Very high156 Ų15634.9 Ų34.959%0.58916%0.162SC*.Iπ-helixtrans-97.1-50.4-178.9-175.759.9176.6-168.12.5111.8F141 F310F141-R314 HydrophobicContact CD2-CB 4.02Å; F141-R314 HydrophobicContact CE2-CB 4.26Å; F310-R314 HydrophobicContact CD2-CB 3.57Å; F310-R314 HydrophobicContact CD2-CG 3.78Å; F310-R314 HydrophobicContact CE2-CB 3.77Å; F310-R314 HydrophobicContact CE2-CG 3.44Å; F310-R314 VanDerWaalsContact CE2-CG 3.44Å; F310-R314 HydrophobicContact CG-CB 4.32Å; F310-R314 HydrophobicContact CZ-CG 4.24Å; F310-R314 WeakPolarHBondContact O-CA 3.35Å; F310-R314 VanDerWaalsContact O-CB 3.26Å; F310-R314 WeakPolarHBondContact O-CB 3.21Å; F310-R314 PolarHBondContact O-N 3.25Å
315L96.5Very high98Very high14 Ų1435.1 Ų35.17%0.07316%0.163CC..SBendtrans-80.3-16.6178-57-175.7000112.9Y230 R234 F310 A311 F317Y230-L315 HydrophobicContact CD2-CD1 3.62Å; Y230-L315 HydrophobicContact CD2-CD2 3.95Å; Y230-L315 HydrophobicContact CD2-CG 4.44Å; Y230-L315 HydrophobicContact CE2-CD1 4Å; Y230-L315 HydrophobicContact CE2-CD2 3.42Å; Y230-L315 VanDerWaalsContact CE2-CD2 3.42Å; Y230-L315 HydrophobicContact CE2-CG 4.37Å; Y230-L315 HydrophobicContact CG-CD1 4.28Å; R234-L315 PolarHBondContact NH1-O 2.82Å; R234-L315 PolarHBondContact NH2-O 3.46Å; F310-L315 HydrophobicContact CD1-CD1 4.1Å; F310-L315 HydrophobicContact CD1-CG 4.05Å; F310-L315 HydrophobicContact CE1-CD1 3.6Å; F310-L315 HydrophobicContact CE1-CD2 3.8Å; F310-L315 HydrophobicContact CE1-CG 3.54Å; F310-L315 HydrophobicContact CZ-CD1 4.41Å; F310-L315 HydrophobicContact CZ-CD2 3.74Å; F310-L315 HydrophobicContact CZ-CG 3.95Å; F310-L315 PolarHBondContact O-N 2.83Å; A311-L315 CarbonylContact O-C 3.51Å; A311-L315 WeakPolarHBondContact O-CB 3.2Å; A311-L315 PolarHBondContact O-N 3.15Å; L315-F317 VanDerWaalsContact C-N 3.3Å; L315-F317 HydrophobicContact CB-CD2 3.69Å; L315-F317 HydrophobicContact CB-CE2 3.98Å; L315-F317 HydrophobicContact CD1-CD2 4.31Å; L315-F317 HydrophobicContact CD1-CE2 4.17Å; L315-F317 PolarHBondContact O-N 3.11Å
316R97.4Very high98Very high176 Ų17635 Ų3566%0.66416%0.163SC*.  trans64.531.5179-48.7-62.2-172.5156.90.4113.6R234 A311 V312 H313R234-R316 PolarHBondContact NH1-O 3.42Å; A311-R316 PolarHBondContact O-N 2.69Å; V312-R316 VanDerWaalsContact O-CA 3.26Å; V312-R316 WeakPolarHBondContact O-CA 3.48Å; V312-R316 PolarHBondContact O-N 3.22Å; H313-R316 PolarHBondContact O-NE 2.83Å
317F98.1Very high98Very high1 Ų136.7 Ų36.70%0.00417%0.169CC..  trans-74136.3161.8-75.9-88.5000108.6R234 L254 A311 V312 L315 Q321 I322R234-F317 HydrophobicContact CG-CE1 4.02Å; R234-F317 HydrophobicContact CG-CZ 4Å; L254-F317 HydrophobicContact CB-CD1 3.75Å; L254-F317 HydrophobicContact CB-CD2 4.21Å; L254-F317 HydrophobicContact CB-CE1 3.81Å; L254-F317 HydrophobicContact CB-CE2 4.28Å; L254-F317 HydrophobicContact CB-CG 3.96Å; L254-F317 HydrophobicContact CB-CZ 4.08Å; L254-F317 HydrophobicContact CD1-CE2 4.15Å; L254-F317 HydrophobicContact CD1-CZ 4.31Å; L254-F317 HydrophobicContact CD2-CD2 4.09Å; L254-F317 HydrophobicContact CD2-CE2 4.48Å; L254-F317 HydrophobicContact CD2-CG 4.33Å; A311-F317 PolarHBondContact O-N 3.02Å; V312-F317 WeakPolarHBondContact CA-O 3.33Å; L315-F317 VanDerWaalsContact C-N 3.3Å; L315-F317 HydrophobicContact CB-CD2 3.69Å; L315-F317 HydrophobicContact CB-CE2 3.98Å; L315-F317 HydrophobicContact CD1-CD2 4.31Å; L315-F317 HydrophobicContact CD1-CE2 4.17Å; L315-F317 PolarHBondContact O-N 3.11Å; F317-Q321 HydrophobicContact CD1-CB 4.16Å; F317-I322 HydrophobicContact CB-CD1 4.14Å; F317-I322 HydrophobicContact CB-CG1 4.04Å
318Q98Very high98Very high113 Ų11337.2 Ų37.253%0.52817%0.173SC..  trans-70.7148.8166.9-60-59.7-16.100109.3S320 Q321Q318-S320 PolarHBondContact O-N 2.93Å; Q318-S320 VanDerWaalsContact O-N 3.16Å; Q318-Q321 HydrophobicContact CB-CG 4.2Å; Q318-Q321 WeakPolarHBondContact O-CA 3.38Å; Q318-Q321 WeakPolarHBondContact O-CB 3.46Å; Q318-Q321 PolarHBondContact O-N 3.4Å
319P97.7Very high98Very high29 Ų2937.4 Ų37.419%0.18817%0.174CC..G310 helixtrans-47.6-43.1171.3-29.936.6000112.4F308 V312 Q321 I322 D343 I344 A345F308-P319 HydrophobicContact CZ-CB 4.22Å; F308-P319 HydrophobicContact CZ-CG 4.36Å; V312-P319 HydrophobicContact CG2-CG 4.29Å; P319-Q321 PolarHBondContact O-N 3.43Å; P319-I322 WeakPolarHBondContact O-CB 3.39Å; P319-I322 PolarHBondContact O-N 3.21Å; P319-D343 CarbonylContact C-O 3.6Å; P319-D343 HydrophobicContact CB-CB 3.82Å; P319-I344 VanDerWaalsContact O-CA 3.26Å; P319-I344 WeakPolarHBondContact O-CA 3.09Å; P319-A345 PolarHBondContact O-N 2.64Å
320S96.9Very high98Very high81 Ų8137.2 Ų37.257%0.56617%0.173SC*.G310 helixtrans-66.4-2.3177.858.20000115.3Q318 D343 A345Q318-S320 PolarHBondContact O-N 2.93Å; Q318-S320 VanDerWaalsContact O-N 3.16Å; S320-D343 VanDerWaalsContact CA-O 3.31Å; S320-D343 WeakPolarHBondContact CA-O 3.39Å; S320-D343 PolarHBondContact N-O 2.91Å; S320-D343 VanDerWaalsContact N-O 3.07Å; S320-A345 VanDerWaalsContact O-CB 3.3Å; S320-A345 WeakPolarHBondContact O-CB 3.49Å
321Q97.7Very high98Very high46 Ų4637 Ų3722%0.21517%0.172CC..G310 helixtrans-108.19172-63.3177.6-70.400112.3E252 I253 L254 F317 Q318 P319E252-Q321 PolarHBondContact O-NE2 2.91Å; I253-Q321 CarbonylContact C-O 3.47Å; I253-Q321 WeakPolarHBondContact CA-O 3.35Å; I253-Q321 HydrophobicContact CD1-CB 4.2Å; L254-Q321 PolarHBondContact N-O 3.03Å; F317-Q321 HydrophobicContact CD1-CB 4.16Å; Q318-Q321 HydrophobicContact CB-CG 4.2Å; Q318-Q321 WeakPolarHBondContact O-CA 3.38Å; Q318-Q321 WeakPolarHBondContact O-CB 3.46Å; Q318-Q321 PolarHBondContact O-N 3.4Å; P319-Q321 PolarHBondContact O-N 3.43Å
322I98.7Very high98Very high0 Ų037.1 Ų37.10%017%0.172CC..EExtended strand (participates in β ladder)trans-113.6115.1-176.1-59.3173.9000109.6L254 L256 F308 A311 V312 F317 P319 V324 I344 A345L254-I322 HydrophobicContact CB-CG1 4.32Å; L254-I322 HydrophobicContact CD2-CG1 4.31Å; L254-I322 CarbonylContact O-C 3.58Å; L254-I322 VanDerWaalsContact O-CA 3.3Å; L254-I322 WeakPolarHBondContact O-CA 3.49Å; L256-I322 HydrophobicContact CB-CG2 4.22Å; F308-I322 HydrophobicContact CD2-CD1 4.18Å; F308-I322 HydrophobicContact CD2-CG2 4.47Å; F308-I322 HydrophobicContact CE2-CD1 3.76Å; F308-I322 HydrophobicContact CE2-CG2 4.32Å; F308-I322 HydrophobicContact CZ-CD1 4.39Å; A311-I322 HydrophobicContact CB-CD1 3.93Å; V312-I322 HydrophobicContact CG2-CD1 3.94Å; F317-I322 HydrophobicContact CB-CD1 4.14Å; F317-I322 HydrophobicContact CB-CG1 4.04Å; P319-I322 WeakPolarHBondContact O-CB 3.39Å; P319-I322 PolarHBondContact O-N 3.21Å; I322-V324 HydrophobicContact CG2-CG2 4.26Å; I322-I344 WeakPolarHBondContact O-CB 3.47Å; I322-A345 WeakPolarHBondContact O-CB 3.44Å; I322-A345 PolarHBondContact O-N 3.4Å
323F98.5Very high98Very high24 Ų2436 Ų3611%0.10517%0.165CC..EExtended strand (participates in β ladder)trans-85.8145.3159.3-69.4-43.1000109.8I253 L254 V255 L256 Y278 A345 G346 P535I253-F323 HydrophobicContact CG2-CD2 3.41Å; I253-F323 VanDerWaalsContact CG2-CD2 3.41Å; I253-F323 HydrophobicContact CG2-CE2 3.67Å; I253-F323 HydrophobicContact CG2-CG 4.1Å; L254-F323 PolarHBondContact O-N 2.87Å; V255-F323 CarbonylContact C-O 3.52Å; V255-F323 WeakPolarHBondContact CA-O 3.44Å; V255-F323 HydrophobicContact CG2-CB 4.31Å; L256-F323 PolarHBondContact N-O 2.91Å; Y278-F323 HydrophobicContact CE1-CD2 4.46Å; Y278-F323 HydrophobicContact CE1-CE2 4.33Å; F323-A345 HydrophobicContact CD1-CB 3.58Å; F323-A345 HydrophobicContact CE1-CB 3.49Å; F323-A345 VanDerWaalsContact CE1-CB 3.49Å; F323-A345 HydrophobicContact CG-CB 4.41Å; F323-A345 HydrophobicContact CZ-CB 4.29Å; F323-G346 WeakPolarHBondContact CA-O 3.39Å; F323-P535 HydrophobicContact CE2-CB 4.39Å; F323-P535 HydrophobicContact CZ-CB 3.97Å
324V98.8Very high98.1Very high0 Ų033.4 Ų33.40%015%0.153CC..EExtended strand (participates in β ladder)trans-115.1117.7173.1-167.50000108.4L256 I322 A334 I337 I344 G346 L347 V348L256-V324 HydrophobicContact CB-CG1 4.42Å; L256-V324 HydrophobicContact CB-CG2 4.45Å; L256-V324 HydrophobicContact CD2-CG1 4.34Å; L256-V324 HydrophobicContact CD2-CG2 4.49Å; L256-V324 HydrophobicContact CG-CG1 4.36Å; L256-V324 WeakPolarHBondContact O-CA 3.19Å; I322-V324 HydrophobicContact CG2-CG2 4.26Å; V324-A334 HydrophobicContact CG1-CB 3.68Å; V324-I337 HydrophobicContact CG1-CB 4.44Å; V324-I337 HydrophobicContact CG2-CB 4.42Å; V324-I337 HydrophobicContact CG2-CG2 3.7Å; V324-I344 HydrophobicContact CB-CD1 4.36Å; V324-I344 HydrophobicContact CG2-CD1 3.71Å; V324-I344 HydrophobicContact CG2-CG2 4.25Å; V324-G346 PolarHBondContact N-O 3.49Å; V324-L347 HydrophobicContact CB-CD1 4.28Å; V324-V348 PolarHBondContact O-N 3.34Å
325L98.8Very high98.2Very high4 Ų426 Ų262%0.02113%0.125CC..EExtended strand (participates in β ladder)trans-105.4115.1179.617263000108.9V255 L256 C258 V348 D350 L533V255-L325 HydrophobicContact CG1-CB 3.72Å; V255-L325 HydrophobicContact CG1-CD2 4.35Å; L256-L325 PolarHBondContact O-N 3.46Å; C258-L325 PolarHBondContact N-O 3.49Å; L325-V348 CarbonylContact C-O 3.46Å; L325-V348 WeakPolarHBondContact CA-O 3.14Å; L325-V348 HydrophobicContact CD1-CB 3.8Å; L325-V348 HydrophobicContact CD1-CG1 3.55Å; L325-D350 HydrophobicContact CD1-CB 4.19Å; L325-L533 HydrophobicContact CD1-CD1 4.46Å; L325-L533 HydrophobicContact CD2-CD1 4.43Å
326G98.7Very high98.3Very high0 Ų025.3 Ų25.30%012%0.122CC..EExtended strand (participates in β ladder)trans-109.2116.8172.600000111.3V348 D350G326-V348 PolarHBondContact N-O 2.88Å; G326-D350 PolarHBondContact O-N 3.11Å
327W98.6Very high98.4Very high35 Ų3517 Ų1713%0.1339%0.09CC..EExtended strand (participates in β ladder)trans-98.7132.8172.4171.856.8000110.8C258 E259 G260 T269 I329 G330 D350 H524C258-W327 PolarHBondContact O-N 3.21Å; E259-W327 CarbonylContact C-O 3.58Å; G260-W327 WeakPolarHBondContact CA-O 3.33Å; G260-W327 PolarHBondContact N-O 3.31Å; T269-W327 HydrophobicContact CG2-CB 3.52Å; T269-W327 HydrophobicContact CG2-CD2 4.39Å; T269-W327 HydrophobicContact CG2-CE3 4.13Å; T269-W327 HydrophobicContact CG2-CG 4.17Å; W327-I329 PolarHBondContact O-N 3.45Å; W327-G330 WeakPolarHBondContact O-CA 3.48Å; W327-G330 PolarHBondContact O-N 3.32Å; W327-D350 CarbonylContact C-O 3.54Å; W327-D350 VanDerWaalsContact CA-O 3.25Å; W327-D350 WeakPolarHBondContact CA-O 3.48Å; W327-H524 PolarHBondContact NE1-O 3.05Å
328S98.2Very high98.4Very high11 Ų1116.9 Ų16.98%0.0779%0.09CC..G310 helixtrans54.3-126.7176-172.50000111.2G330 G331 D350 A351 T352 H524S328-G330 PolarHBondContact O-N 3.25Å; S328-G330 VanDerWaalsContact O-N 3.17Å; S328-G331 PolarHBondContact O-N 3.27Å; S328-D350 PolarHBondContact N-O 3.35Å; S328-A351 VanDerWaalsContact CA-O 3.3Å; S328-A351 WeakPolarHBondContact CA-O 3.45Å; S328-T352 VanDerWaalsContact O-CB 3.25Å; S328-T352 WeakPolarHBondContact O-CB 3.42Å; S328-T352 PolarHBondContact O-OG1 2.66Å; S328-H524 VanDerWaalsContact CB-NE2 3.29Å; S328-H524 WeakPolarHBondContact CB-NE2 3.29Å; S328-H524 PolarHBondContact OG-CE1 3.24Å; S328-H524 PolarHBondContact OG-NE2 2.84Å
329I98.1Very high98.4Very high8 Ų811.7 Ų11.74%0.0417%0.066CC..G310 helixtrans-59.6-24.6177.2-151.8165.5000113.5T184 Y185 N261 W327 G331 Y332 F353 L382T184-I329 HydrophobicContact CG2-CD1 3.76Å; Y185-I329 HydrophobicContact CD1-CD1 4.19Å; Y185-I329 HydrophobicContact CD1-CG2 4.4Å; Y185-I329 HydrophobicContact CD2-CD1 4.34Å; Y185-I329 HydrophobicContact CE1-CD1 3.71Å; Y185-I329 HydrophobicContact CE1-CG1 4.13Å; Y185-I329 HydrophobicContact CE1-CG2 3.77Å; Y185-I329 HydrophobicContact CE2-CD1 3.88Å; Y185-I329 HydrophobicContact CG-CD1 4.48Å; N261-I329 HydrophobicContact CB-CG2 4.11Å; N261-I329 VanDerWaalsContact N-CG2 3.3Å; W327-I329 PolarHBondContact O-N 3.45Å; I329-G331 PolarHBondContact O-N 3.3Å; I329-G331 VanDerWaalsContact O-N 3.15Å; I329-Y332 WeakPolarHBondContact O-CB 2.91Å; I329-Y332 PolarHBondContact O-N 3.41Å; I329-F353 HydrophobicContact CB-CE1 4.42Å; I329-F353 HydrophobicContact CG1-CE1 4.36Å; I329-F353 HydrophobicContact CG1-CZ 4.13Å; I329-L382 HydrophobicContact CD1-CD1 3.56Å; I329-L382 HydrophobicContact CG1-CD1 3.49Å; I329-L382 VanDerWaalsContact CG1-CD1 3.49Å
330G98.5Very high98.3Very high0 Ų011.3 Ų11.30%06%0.062CC..G310 helixtrans-63.3-15.4174.500000113.9C258 E259 W327 S328 Y332 T333 A334C258-G330 WeakPolarHBondContact CB-O 3.38Å; E259-G330 WeakPolarHBondContact O-CA 3.49Å; E259-G330 PolarHBondContact O-N 2.9Å; E259-G330 VanDerWaalsContact O-N 3.08Å; W327-G330 WeakPolarHBondContact O-CA 3.48Å; W327-G330 PolarHBondContact O-N 3.32Å; S328-G330 PolarHBondContact O-N 3.25Å; S328-G330 VanDerWaalsContact O-N 3.17Å; G330-Y332 PolarHBondContact O-N 2.9Å; G330-T333 PolarHBondContact O-N 3.32Å; G330-T333 PolarHBondContact O-OG1 3.23Å; G330-T333 VanDerWaalsContact O-OG1 3.12Å; G330-A334 VanDerWaalsContact O-CB 3.32Å; G330-A334 WeakPolarHBondContact O-CB 3.34Å; G330-A334 PolarHBondContact O-N 2.85Å
331G98.7Very high98.3Very high0 Ų08.5 Ų8.50%04%0.039CC..Hα-helixtrans-57-26.7167.900000113.2S328 I329 S335S328-G331 PolarHBondContact O-N 3.27Å; I329-G331 PolarHBondContact O-N 3.3Å; I329-G331 VanDerWaalsContact O-N 3.15Å; G331-S335 WeakPolarHBondContact O-CB 3.34Å; G331-S335 PolarHBondContact O-N 3.45Å; G331-S335 PolarHBondContact O-OG 2.92Å
332Y98.7Very high98.2Very high3 Ų39 Ų91%0.0125%0.046CC..Hα-helixtrans-65.2-53.4176.3178.9-103.3000112.8P297 Q301 I329 G330 S335 W336 L382 N384 H387P297-Y332 HydrophobicContact CB-CE1 3.9Å; P297-Y332 WeakPolarHBondContact CB-OH 3.31Å; Q301-Y332 HydrophobicContact CG-CE1 4.2Å; Q301-Y332 PolarHBondContact NE2-OH 2.96Å; I329-Y332 WeakPolarHBondContact O-CB 2.91Å; I329-Y332 PolarHBondContact O-N 3.41Å; G330-Y332 PolarHBondContact O-N 2.9Å; Y332-S335 PolarHBondContact O-OG 2.9Å; Y332-W336 WeakPolarHBondContact O-CB 3.45Å; Y332-W336 PolarHBondContact O-N 3.06Å; Y332-L382 HydrophobicContact CD1-CD2 3.73Å; Y332-L382 HydrophobicContact CD2-CB 3.84Å; Y332-L382 HydrophobicContact CD2-CD2 3.79Å; Y332-L382 HydrophobicContact CD2-CG 4.4Å; Y332-L382 HydrophobicContact CE1-CD2 3.87Å; Y332-L382 HydrophobicContact CE2-CB 4.36Å; Y332-L382 HydrophobicContact CE2-CD2 3.9Å; Y332-L382 HydrophobicContact CG-CB 4.23Å; Y332-L382 HydrophobicContact CG-CD2 3.69Å; Y332-L382 HydrophobicContact CG-CG 4.44Å; Y332-N384 WeakPolarHBondContact CA-OD1 3.15Å; Y332-N384 WeakPolarHBondContact CB-OD1 3.22Å; Y332-N384 PolarHBondContact N-OD1 2.88Å; Y332-H387 AromaticContact CD2-CE1 3.69Å; Y332-H387 AromaticContact CE2-CE1 3.27Å; Y332-H387 WeakPolarHBondContact CE2-CE1 3.41Å; Y332-H387 AromaticContact CE2-NE2 4Å; Y332-H387 AromaticContact CZ-CE1 3.75Å; Y332-H387 PolarHBondContact O-ND1 3.39Å
333T98.7Very high98.1Very high1 Ų113.9 Ų13.91%0.0067%0.072CC..Hα-helixtrans-70.9-36.5179.445.30000111.6C258 W283 E300 V304 G330 W336 I337C258-T333 WeakPolarHBondContact CB-OG1 3.49Å; C258-T333 PolarHBondContact SG-OG1 2.86Å; W283-T333 HydrophobicContact CH2-CG2 3.95Å; W283-T333 HydrophobicContact CZ2-CG2 4.04Å; E300-T333 HydrophobicContact CB-CG2 3.67Å; E300-T333 HydrophobicContact CG-CG2 4.5Å; E300-T333 WeakPolarHBondContact OE2-CG2 3.38Å; V304-T333 HydrophobicContact CB-CG2 4.25Å; V304-T333 HydrophobicContact CG1-CG2 4.03Å; G330-T333 PolarHBondContact O-N 3.32Å; G330-T333 PolarHBondContact O-OG1 3.23Å; G330-T333 VanDerWaalsContact O-OG1 3.12Å; T333-W336 PolarHBondContact O-N 3.43Å; T333-I337 WeakPolarHBondContact O-CG1 3.33Å; T333-I337 PolarHBondContact O-N 2.97Å
334A98.9Very high98.1Very high0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-60.9-50.9175.200000112.2C258 V324 G330 W336 I337 A338 L347 L349C258-A334 HydrophobicContact CB-CB 4.41Å; V324-A334 HydrophobicContact CG1-CB 3.68Å; G330-A334 VanDerWaalsContact O-CB 3.32Å; G330-A334 WeakPolarHBondContact O-CB 3.34Å; G330-A334 PolarHBondContact O-N 2.85Å; A334-W336 VanDerWaalsContact C-N 3.32Å; A334-W336 PolarHBondContact O-N 3.37Å; A334-I337 PolarHBondContact O-N 3.17Å; A334-A338 PolarHBondContact O-N 3.39Å; A334-A338 VanDerWaalsContact O-N 3.13Å; A334-L347 HydrophobicContact CB-CD1 3.81Å; A334-L347 WeakPolarHBondContact O-CD1 3.26Å; A334-L349 HydrophobicContact CB-CD2 4.27Å
335S98.8Very high98Very high0 Ų014.1 Ų14.10%08%0.078CC..Hα-helixtrans-65.2-35.2177.562.40000112.4G331 Y332 A338 M339 H387G331-S335 WeakPolarHBondContact O-CB 3.34Å; G331-S335 PolarHBondContact O-N 3.45Å; G331-S335 PolarHBondContact O-OG 2.92Å; Y332-S335 PolarHBondContact O-OG 2.9Å; S335-A338 PolarHBondContact O-N 2.95Å; S335-M339 PolarHBondContact O-N 2.93Å; S335-H387 WeakPolarHBondContact O-CB 3.27Å; S335-H387 PolarHBondContact OG-ND1 2.93Å; S335-H387 VanDerWaalsContact OG-ND1 3.08Å
336W98.5Very high97.9Very high0 Ų014 Ų140%08%0.077CC..Hα-helixtrans-64.3-40.4175.2-177.389.7000112.6K154 Q301 V304 E305 Y332 T333 A334 M339 N340 Y341 H387K154-W336 HydrophobicContact CB-CZ2 4.24Å; K154-W336 HydrophobicContact CD-CH2 4.28Å; K154-W336 HydrophobicContact CD-CZ2 3.89Å; K154-W336 HydrophobicContact CG-CH2 4.34Å; K154-W336 HydrophobicContact CG-CZ2 3.98Å; Q301-W336 HydrophobicContact CB-CD2 3.98Å; Q301-W336 HydrophobicContact CB-CE3 4.25Å; Q301-W336 HydrophobicContact CB-CH2 4.29Å; Q301-W336 HydrophobicContact CB-CZ2 3.99Å; Q301-W336 HydrophobicContact CB-CZ3 4.41Å; Q301-W336 VanDerWaalsContact CD-NE1 3.29Å; Q301-W336 HydrophobicContact CG-CD2 3.68Å; Q301-W336 HydrophobicContact CG-CE3 4.36Å; Q301-W336 HydrophobicContact CG-CG 3.71Å; Q301-W336 HydrophobicContact CG-CZ2 4.3Å; V304-W336 HydrophobicContact CG1-CE3 3.93Å; V304-W336 HydrophobicContact CG1-CZ3 4.21Å; E305-W336 HydrophobicContact CB-CH2 4.05Å; E305-W336 HydrophobicContact CB-CZ3 3.87Å; E305-W336 HydrophobicContact CG-CH2 4.39Å; E305-W336 HydrophobicContact CG-CZ3 4.49Å; Y332-W336 WeakPolarHBondContact O-CB 3.45Å; Y332-W336 PolarHBondContact O-N 3.06Å; T333-W336 PolarHBondContact O-N 3.43Å; A334-W336 VanDerWaalsContact C-N 3.32Å; A334-W336 PolarHBondContact O-N 3.37Å; W336-M339 PolarHBondContact O-N 2.93Å; W336-N340 HydrophobicContact CH2-CB 4.43Å; W336-N340 HydrophobicContact CZ2-CB 4.45Å; W336-N340 PolarHBondContact NE1-ND2 3.46Å; W336-N340 VanDerWaalsContact NE1-ND2 3.2Å; W336-N340 WeakPolarHBondContact O-CB 3.46Å; W336-N340 PolarHBondContact O-N 2.91Å; W336-N340 VanDerWaalsContact O-N 3.08Å; W336-N340 PolarHBondContact O-ND2 2.93Å; W336-Y341 HydrophobicContact CZ3-CE2 4.4Å; W336-H387 AromaticContact CD1-CE1 3.91Å; W336-H387 AromaticContact CD1-NE2 3.89Å; W336-H387 PolarHBondContact N-ND1 3.18Å
337I98.6Very high97.9Very high0 Ų014 Ų140%08%0.077CC..Hα-helixtrans-60.1-48.3173-71.9-68.7000109.9L256 V304 F308 V324 T333 A334 M339 N340 Y341 I344L256-I337 HydrophobicContact CD2-CG1 4.48Å; V304-I337 HydrophobicContact CB-CD1 4.43Å; V304-I337 HydrophobicContact CB-CG1 4.3Å; V304-I337 HydrophobicContact CG1-CD1 3.87Å; V304-I337 HydrophobicContact CG1-CG1 3.82Å; V304-I337 HydrophobicContact CG2-CD1 4Å; V304-I337 HydrophobicContact CG2-CG1 3.55Å; F308-I337 HydrophobicContact CB-CD1 3.81Å; F308-I337 HydrophobicContact CD2-CG2 3.93Å; F308-I337 HydrophobicContact CE2-CG2 4.32Å; F308-I337 HydrophobicContact CG-CD1 4.24Å; F308-I337 HydrophobicContact CG-CG2 4.45Å; V324-I337 HydrophobicContact CG1-CB 4.44Å; V324-I337 HydrophobicContact CG2-CB 4.42Å; V324-I337 HydrophobicContact CG2-CG2 3.7Å; T333-I337 WeakPolarHBondContact O-CG1 3.33Å; T333-I337 PolarHBondContact O-N 2.97Å; A334-I337 PolarHBondContact O-N 3.17Å; I337-M339 VanDerWaalsContact C-N 3.31Å; I337-M339 PolarHBondContact O-N 3.28Å; I337-N340 PolarHBondContact O-N 3.49Å; I337-N340 VanDerWaalsContact O-N 3.16Å; I337-Y341 HydrophobicContact CD1-CD2 4.08Å; I337-Y341 HydrophobicContact CD1-CE2 4.24Å; I337-Y341 HydrophobicContact CG2-CD2 4.37Å; I337-Y341 WeakPolarHBondContact O-CA 3.49Å; I337-Y341 WeakPolarHBondContact O-CB 3.37Å; I337-Y341 PolarHBondContact O-N 3.21Å; I337-I344 HydrophobicContact CG2-CG2 4.26Å
338A98.4Very high97.9Very high0 Ų012.4 Ų12.40%07%0.072CC..Hα-helixtrans-57.9-42.9179.500000112.3A334 S335 N340 Y341 P342 I344 L347 Y391A334-A338 PolarHBondContact O-N 3.39Å; A334-A338 VanDerWaalsContact O-N 3.13Å; S335-A338 PolarHBondContact O-N 2.95Å; A338-N340 PolarHBondContact O-N 3.37Å; A338-Y341 CarbonylContact O-C 3.59Å; A338-P342 WeakPolarHBondContact O-CA 3.34Å; A338-I344 HydrophobicContact CB-CD1 3.69Å; A338-L347 HydrophobicContact CB-CB 4.26Å; A338-L347 HydrophobicContact CB-CD1 4.26Å; A338-L347 HydrophobicContact CB-CD2 3.81Å; A338-L347 HydrophobicContact CB-CG 4.33Å; A338-Y391 HydrophobicContact CB-CD1 3.76Å; A338-Y391 HydrophobicContact CB-CD2 3.83Å; A338-Y391 HydrophobicContact CB-CE1 4.08Å; A338-Y391 HydrophobicContact CB-CE2 4.15Å; A338-Y391 HydrophobicContact CB-CG 3.61Å; A338-Y391 WeakPolarHBondContact O-CD2 3.34Å
339M97.3Very high98Very high4 Ų411.9 Ų11.92%0.027%0.068CC..Hα-helixtrans-62.9-40.7176.7179179.472.200113.1K155 S335 W336 I337 H387 N390K155-M339 HydrophobicContact CB-CE 4.03Å; K155-M339 HydrophobicContact CB-CG 4.46Å; K155-M339 HydrophobicContact CB-SD 4.48Å; K155-M339 HydrophobicContact CD-CG 3.92Å; K155-M339 WeakPolarHBondContact CD-O 3.39Å; K155-M339 WeakPolarHBondContact CE-O 3.13Å; K155-M339 PolarHBondContact NZ-O 3.06Å; S335-M339 PolarHBondContact O-N 2.93Å; W336-M339 PolarHBondContact O-N 2.93Å; I337-M339 VanDerWaalsContact C-N 3.31Å; I337-M339 PolarHBondContact O-N 3.28Å; M339-H387 HydrophobicContact CB-CB 4.23Å; M339-H387 HydrophobicContact SD-CB 4.34Å; M339-N390 HydrophobicContact CG-CB 3.7Å; M339-N390 HydrophobicContact SD-CB 3.93Å
340N97.3Very high98Very high20 Ų2011.7 Ų11.711%0.1077%0.067CC..Hα-helixtrans-88.4-27.4-174-79.4-91.6000113.8K154 K155 W336 I337 A338 P342K154-N340 WeakPolarHBondContact CA-OD1 3.41Å; K155-N340 PolarHBondContact N-OD1 3.13Å; W336-N340 HydrophobicContact CH2-CB 4.43Å; W336-N340 HydrophobicContact CZ2-CB 4.45Å; W336-N340 PolarHBondContact NE1-ND2 3.46Å; W336-N340 VanDerWaalsContact NE1-ND2 3.2Å; W336-N340 WeakPolarHBondContact O-CB 3.46Å; W336-N340 PolarHBondContact O-N 2.91Å; W336-N340 VanDerWaalsContact O-N 3.08Å; W336-N340 PolarHBondContact O-ND2 2.93Å; I337-N340 PolarHBondContact O-N 3.49Å; I337-N340 VanDerWaalsContact O-N 3.16Å; A338-N340 PolarHBondContact O-N 3.37Å; N340-P342 VanDerWaalsContact C-CD 3.49Å; N340-P342 WeakPolarHBondContact O-CD 3.2Å
341Y96.8Very high98Very high23 Ų2311.7 Ų11.79%0.097%0.067CC..  trans-12768.6-179.2-60.1-81.4000108.9E305 F308 L309 W336 I337 A338 D343 I344E305-Y341 HydrophobicContact CG-CE2 4.29Å; E305-Y341 WeakPolarHBondContact CG-OH 3.32Å; E305-Y341 PolarHBondContact OE1-OH 3.06Å; F308-Y341 AromaticContact CD1-CD1 3.8Å; F308-Y341 HydrophobicContact CD1-CD1 3.8Å; F308-Y341 AromaticContact CD1-CD2 3.87Å; F308-Y341 HydrophobicContact CD1-CD2 3.87Å; F308-Y341 AromaticContact CD1-CE1 3.89Å; F308-Y341 HydrophobicContact CD1-CE1 3.89Å; F308-Y341 AromaticContact CD1-CE2 3.99Å; F308-Y341 HydrophobicContact CD1-CE2 3.99Å; F308-Y341 AromaticContact CD1-CG 3.79Å; F308-Y341 HydrophobicContact CD1-CG 3.79Å; F308-Y341 AromaticContact CD1-CZ 4Å; F308-Y341 AromaticContact CE1-CD1 3.23Å; F308-Y341 HydrophobicContact CE1-CD1 3.23Å; F308-Y341 AromaticContact CE1-CD2 3.98Å; F308-Y341 HydrophobicContact CE1-CD2 3.98Å; F308-Y341 AromaticContact CE1-CE1 3.69Å; F308-Y341 HydrophobicContact CE1-CE1 3.69Å; F308-Y341 HydrophobicContact CE1-CE2 4.39Å; F308-Y341 AromaticContact CE1-CG 3.39Å; F308-Y341 HydrophobicContact CE1-CG 3.39Å; F308-Y341 HydrophobicContact CG-CD2 4.38Å; F308-Y341 AromaticContact CZ-CD1 3.97Å; F308-Y341 HydrophobicContact CZ-CD1 3.97Å; F308-Y341 AromaticContact CZ-CG 3.83Å; F308-Y341 HydrophobicContact CZ-CG 3.83Å; L309-Y341 HydrophobicContact CD2-CE1 4.39Å; W336-Y341 HydrophobicContact CZ3-CE2 4.4Å; I337-Y341 HydrophobicContact CD1-CD2 4.08Å; I337-Y341 HydrophobicContact CD1-CE2 4.24Å; I337-Y341 HydrophobicContact CG2-CD2 4.37Å; I337-Y341 WeakPolarHBondContact O-CA 3.49Å; I337-Y341 WeakPolarHBondContact O-CB 3.37Å; I337-Y341 PolarHBondContact O-N 3.21Å; A338-Y341 CarbonylContact O-C 3.59Å; Y341-D343 PolarHBondContact O-N 3.19Å; Y341-I344 WeakPolarHBondContact O-CG2 3.29Å; Y341-I344 PolarHBondContact O-N 3.12Å
342P95.4Very high98Very high55 Ų5511.9 Ų11.936%0.3577%0.068SC..THydrogen-bonded Turntrans-67.4-9.5-171.429.2-37.5000114.4A338 N340 I344 Y391A338-P342 WeakPolarHBondContact O-CA 3.34Å; N340-P342 VanDerWaalsContact C-CD 3.49Å; N340-P342 WeakPolarHBondContact O-CD 3.2Å; P342-I344 PolarHBondContact O-N 3.1Å; P342-Y391 HydrophobicContact CB-CD2 4.18Å; P342-Y391 WeakPolarHBondContact O-CE2 3.41Å
343D95.3Very high98Very high103 Ų10312 Ų1255%0.5517%0.068SC*.THydrogen-bonded Turntrans-79.43.3176.8-53.8-40.9000113.1P319 S320 Y341P319-D343 CarbonylContact C-O 3.6Å; P319-D343 HydrophobicContact CB-CB 3.82Å; S320-D343 VanDerWaalsContact CA-O 3.31Å; S320-D343 WeakPolarHBondContact CA-O 3.39Å; S320-D343 PolarHBondContact N-O 2.91Å; S320-D343 VanDerWaalsContact N-O 3.07Å; Y341-D343 PolarHBondContact O-N 3.19Å
344I98Very high98Very high8 Ų812.4 Ų12.44%0.0417%0.071CC..SBendtrans-59.1153.4174.259.9168.5000112F308 P319 I322 V324 I337 A338 Y341 P342 G346 Y391F308-I344 HydrophobicContact CE2-CG2 3.56Å; F308-I344 HydrophobicContact CZ-CG2 4.11Å; P319-I344 VanDerWaalsContact O-CA 3.26Å; P319-I344 WeakPolarHBondContact O-CA 3.09Å; I322-I344 WeakPolarHBondContact O-CB 3.47Å; V324-I344 HydrophobicContact CB-CD1 4.36Å; V324-I344 HydrophobicContact CG2-CD1 3.71Å; V324-I344 HydrophobicContact CG2-CG2 4.25Å; I337-I344 HydrophobicContact CG2-CG2 4.26Å; A338-I344 HydrophobicContact CB-CD1 3.69Å; Y341-I344 WeakPolarHBondContact O-CG2 3.29Å; Y341-I344 PolarHBondContact O-N 3.12Å; P342-I344 PolarHBondContact O-N 3.1Å; I344-G346 PolarHBondContact O-N 2.82Å; I344-Y391 HydrophobicContact CD1-CE2 4.27Å; I344-Y391 HydrophobicContact CG1-CE2 3.83Å
345A97.1Very high97.9Very high22 Ų2213.6 Ų13.618%0.1828%0.077CC..SBendtrans-62.4-31.4178.700000112.7P319 S320 I322 F323P319-A345 PolarHBondContact O-N 2.64Å; S320-A345 VanDerWaalsContact O-CB 3.3Å; S320-A345 WeakPolarHBondContact O-CB 3.49Å; I322-A345 WeakPolarHBondContact O-CB 3.44Å; I322-A345 PolarHBondContact O-N 3.4Å; F323-A345 HydrophobicContact CD1-CB 3.58Å; F323-A345 HydrophobicContact CE1-CB 3.49Å; F323-A345 VanDerWaalsContact CE1-CB 3.49Å; F323-A345 HydrophobicContact CG-CB 4.41Å; F323-A345 HydrophobicContact CZ-CB 4.29Å
346G98Very high97.8Very high0 Ų014.2 Ų14.20%08%0.08CC..EExtended strand (participates in β ladder)trans168.7158.8-177.300000113.8F323 V324 I344 Y391 P394F323-G346 WeakPolarHBondContact CA-O 3.39Å; V324-G346 PolarHBondContact N-O 3.49Å; I344-G346 PolarHBondContact O-N 2.82Å; G346-Y391 WeakPolarHBondContact CA-OH 3.21Å; G346-P394 WeakPolarHBondContact CA-O 3.3Å
347L98.8Very high97.6Very high0 Ų015.9 Ų15.90%09%0.089CC..EExtended strand (participates in β ladder)trans-113.1124.3178.8177.563.9000109.9V324 A334 A338 L349 V388 Y391 P394 V395 L396V324-L347 HydrophobicContact CB-CD1 4.28Å; A334-L347 HydrophobicContact CB-CD1 3.81Å; A334-L347 WeakPolarHBondContact O-CD1 3.26Å; A338-L347 HydrophobicContact CB-CB 4.26Å; A338-L347 HydrophobicContact CB-CD1 4.26Å; A338-L347 HydrophobicContact CB-CD2 3.81Å; A338-L347 HydrophobicContact CB-CG 4.33Å; L347-L349 HydrophobicContact CD1-CD2 3.84Å; L347-L349 HydrophobicContact CD1-CG 4.28Å; L347-L349 HydrophobicContact CD2-CD1 3.91Å; L347-L349 HydrophobicContact CD2-CD2 4.17Å; L347-L349 HydrophobicContact CD2-CG 4.06Å; L347-L349 HydrophobicContact CG-CD1 4.29Å; L347-L349 HydrophobicContact CG-CD2 4Å; L347-L349 HydrophobicContact CG-CG 3.89Å; L347-V388 HydrophobicContact CD2-CG2 4.1Å; L347-Y391 HydrophobicContact CB-CD1 4.35Å; L347-Y391 HydrophobicContact CB-CE1 3.77Å; L347-Y391 HydrophobicContact CD2-CD1 4.28Å; L347-P394 PolarHBondContact N-O 2.96Å; L347-V395 HydrophobicContact CB-CG2 4.37Å; L347-V395 HydrophobicContact CD2-CG2 4.42Å; L347-V395 CarbonylContact O-C 3.17Å; L347-V395 WeakPolarHBondContact O-CA 3.45Å; L347-L396 PolarHBondContact O-N 3.46Å
348V98.8Very high97.4Very high3 Ų319.3 Ų19.32%0.01811%0.105CC..EExtended strand (participates in β ladder)trans-112.3122173.5-1750000108.6V324 L325 G326 L396 I398 L533 P536V324-V348 PolarHBondContact O-N 3.34Å; L325-V348 CarbonylContact C-O 3.46Å; L325-V348 WeakPolarHBondContact CA-O 3.14Å; L325-V348 HydrophobicContact CD1-CB 3.8Å; L325-V348 HydrophobicContact CD1-CG1 3.55Å; G326-V348 PolarHBondContact N-O 2.88Å; V348-L396 CarbonylContact C-O 3.56Å; V348-L396 WeakPolarHBondContact CA-O 3.45Å; V348-L396 HydrophobicContact CG1-CD2 4.34Å; V348-I398 HydrophobicContact CG1-CD1 3.72Å; V348-I398 HydrophobicContact CG1-CG1 4.33Å; V348-L533 HydrophobicContact CG1-CD1 4.31Å; V348-L533 HydrophobicContact CG2-CD1 4.47Å; V348-P536 HydrophobicContact CG2-CG 3.69Å
349L98.9Very high97.2Very high0 Ų020.3 Ų20.30%011%0.11CC..EExtended strand (participates in β ladder)trans-116.4101.8-176.7-67.8180000109A334 L347 T352 V388 L396 I397 I398 L422A334-L349 HydrophobicContact CB-CD2 4.27Å; L347-L349 HydrophobicContact CD1-CD2 3.84Å; L347-L349 HydrophobicContact CD1-CG 4.28Å; L347-L349 HydrophobicContact CD2-CD1 3.91Å; L347-L349 HydrophobicContact CD2-CD2 4.17Å; L347-L349 HydrophobicContact CD2-CG 4.06Å; L347-L349 HydrophobicContact CG-CD1 4.29Å; L347-L349 HydrophobicContact CG-CD2 4Å; L347-L349 HydrophobicContact CG-CG 3.89Å; L349-T352 HydrophobicContact CB-CG2 3.66Å; L349-T352 HydrophobicContact CD2-CG2 4.23Å; L349-T352 HydrophobicContact CG-CG2 4.33Å; L349-V388 HydrophobicContact CD1-CG2 3.66Å; L349-L396 PolarHBondContact N-O 3.13Å; L349-I397 HydrophobicContact CB-CG1 4.39Å; L349-I397 CarbonylContact O-C 3.46Å; L349-I397 WeakPolarHBondContact O-CA 3.45Å; L349-I398 PolarHBondContact O-N 3.29Å; L349-L422 HydrophobicContact CD1-CD2 3.83Å
350D98.7Very high97Very high4 Ų421 Ų212%0.02112%0.116CC..EExtended strand (participates in β ladder)trans-105.3125.7-174.2175.226.7000111.4L325 G326 W327 S328 T352 I398 R400L325-D350 HydrophobicContact CD1-CB 4.19Å; G326-D350 PolarHBondContact O-N 3.11Å; W327-D350 CarbonylContact C-O 3.54Å; W327-D350 VanDerWaalsContact CA-O 3.25Å; W327-D350 WeakPolarHBondContact CA-O 3.48Å; S328-D350 PolarHBondContact N-O 3.35Å; D350-T352 PolarHBondContact O-N 3.12Å; D350-I398 HydrophobicContact CB-CB 4.28Å; D350-R400 VanDerWaalsContact CG-NH2 3.33Å; D350-R400 IonicContact OD1-CZ 2.75Å; D350-R400 IonicContact OD1-NE 2.78Å; D350-R400 PolarHBondContact OD1-NE 3.33Å; D350-R400 IonicContact OD1-NH2 3.51Å; D350-R400 PolarHBondContact OD1-NH2 3.47Å; D350-R400 IonicContact OD2-CZ 3.52Å; D350-R400 IonicContact OD2-NE 3.56Å; D350-R400 IonicContact OD2-NH2 2.97Å; D350-R400 PolarHBondContact OD2-NH2 3.42Å
351A98.3Very high96.8Very high0 Ų025.3 Ų25.30%013%0.131CC..SBendtrans50.336176.700000113S328 I398 R400 I406 H524S328-A351 VanDerWaalsContact CA-O 3.3Å; S328-A351 WeakPolarHBondContact CA-O 3.45Å; A351-I398 PolarHBondContact N-O 2.7Å; A351-R400 HydrophobicContact CB-CG 3.69Å; A351-I406 VanDerWaalsContact C-CD1 3.5Å; A351-I406 WeakPolarHBondContact O-CD1 3.4Å; A351-H524 PolarHBondContact O-CE1 3.35Å
352T98.5Very high96.4Very high3 Ų328.8 Ų28.82%0.01814%0.143CC..  trans-110.4-178.6-176.6-162.80000112S328 L349 D350 N384 I406 G419 L422S328-T352 VanDerWaalsContact O-CB 3.25Å; S328-T352 WeakPolarHBondContact O-CB 3.42Å; S328-T352 PolarHBondContact O-OG1 2.66Å; L349-T352 HydrophobicContact CB-CG2 3.66Å; L349-T352 HydrophobicContact CD2-CG2 4.23Å; L349-T352 HydrophobicContact CG-CG2 4.33Å; D350-T352 PolarHBondContact O-N 3.12Å; T352-N384 PolarHBondContact OG1-ND2 2.84Å; T352-I406 WeakPolarHBondContact O-CD1 3.29Å; T352-G419 WeakPolarHBondContact O-CA 3.39Å; T352-G419 PolarHBondContact O-N 3.32Å; T352-L422 HydrophobicContact CG2-CD2 3.74Å
353F98.6Very high96Very high5 Ų530.9 Ų30.92%0.02216%0.155CC..  trans-127166.7-168.551.5-96.3000112I329 N355 I356 L359 L382 N384 I406 R418I329-F353 HydrophobicContact CB-CE1 4.42Å; I329-F353 HydrophobicContact CG1-CE1 4.36Å; I329-F353 HydrophobicContact CG1-CZ 4.13Å; F353-N355 WeakPolarHBondContact CD2-O 3.38Å; F353-I356 HydrophobicContact CE2-CB 4Å; F353-I356 HydrophobicContact CZ-CB 4.39Å; F353-L359 HydrophobicContact CB-CD1 3.78Å; F353-L359 HydrophobicContact CD1-CD1 3.4Å; F353-L359 VanDerWaalsContact CD1-CD1 3.4Å; F353-L359 HydrophobicContact CD2-CD1 4.15Å; F353-L359 HydrophobicContact CE1-CD1 3.95Å; F353-L359 HydrophobicContact CG-CD1 3.51Å; F353-L382 HydrophobicContact CE2-CB 4.14Å; F353-L382 HydrophobicContact CZ-CB 4.35Å; F353-N384 VanDerWaalsContact O-CB 3.27Å; F353-N384 WeakPolarHBondContact O-CB 3.33Å; F353-N384 PolarHBondContact O-ND2 3.04Å; F353-I406 HydrophobicContact CD1-CG2 4.29Å; F353-R418 HydrophobicContact CB-CB 3.35Å; F353-R418 HydrophobicContact CB-CG 4.02Å
354D98.5Very high95.6Very high10 Ų1026.8 Ų26.85%0.05314%0.135CC..SBendtrans-74.3-51.7173.358.1-39.3000112N383 N384 L385 R418 H421 L422D354-N383 CarbonylContact O-C 3.59Å; D354-N384 PolarHBondContact O-N 3.04Å; D354-L385 HydrophobicContact CB-CB 4.13Å; D354-L385 PolarHBondContact O-N 3.21Å; D354-R418 VanDerWaalsContact CG-NH2 3.33Å; D354-R418 IonicContact OD1-CZ 3.05Å; D354-R418 IonicContact OD1-NE 3.15Å; D354-R418 PolarHBondContact OD1-NE 2.91Å; D354-R418 IonicContact OD1-NH2 2.83Å; D354-R418 PolarHBondContact OD1-NH2 2.92Å; D354-R418 VanDerWaalsContact OD1-NH2 3.14Å; D354-R418 IonicContact OD2-CZ 3.88Å; D354-R418 IonicContact OD2-NE 2.72Å; D354-R418 IonicContact OD2-NH2 3.49Å; D354-R418 PolarHBondContact OD2-NH2 2.96Å; D354-H421 HydrophobicContact CB-CB 4.12Å; D354-L422 HydrophobicContact CB-CB 4.09Å
355N97.4Very high95Very high25 Ų2530 Ų3013%0.13416%0.156CC..  trans-150.5164.9172.365.273.7000110.4F353 D357 L382 N383F353-N355 WeakPolarHBondContact CD2-O 3.38Å; N355-D357 PolarHBondContact O-N 3.23Å; N355-D357 VanDerWaalsContact OD1-CB 3.29Å; N355-D357 WeakPolarHBondContact OD1-CB 3.37Å; N355-D357 VanDerWaalsContact OD1-CG 3.27Å; N355-D357 PolarHBondContact OD1-N 2.93Å; N355-D357 VanDerWaalsContact OD1-N 3.1Å; N355-L382 VanDerWaalsContact CA-O 3.27Å; N355-L382 WeakPolarHBondContact CA-O 3.36Å; N355-N383 HydrophobicContact CB-CB 4.45Å
356I96Very high94.5Very high14 Ų1433.3 Ų33.37%0.07218%0.179CC..SBendtrans-84-2.1-173.8-165157.6000114.8T184 F353 E358 L359 S360 V376 L380 L382T184-I356 HydrophobicContact CG2-CD1 3.82Å; F353-I356 HydrophobicContact CE2-CB 4Å; F353-I356 HydrophobicContact CZ-CB 4.39Å; I356-E358 PolarHBondContact O-N 3.2Å; I356-L359 HydrophobicContact CG1-CB 4.27Å; I356-L359 PolarHBondContact O-N 2.82Å; I356-S360 WeakPolarHBondContact O-CB 3.22Å; I356-S360 PolarHBondContact O-N 2.94Å; I356-S360 PolarHBondContact O-OG 3.47Å; I356-V376 HydrophobicContact CG2-CG1 3.68Å; I356-L380 WeakPolarHBondContact CG2-O 3.27Å; I356-L382 HydrophobicContact CB-CB 4.14Å; I356-L382 HydrophobicContact CD1-CD1 3.79Å; I356-L382 HydrophobicContact CD1-CG 4.34Å; I356-L382 HydrophobicContact CG2-CB 4.07Å; I356-L382 PolarHBondContact N-O 3.23Å; I356-L382 VanDerWaalsContact N-O 3.11Å
357D94.9Very high94Very high34 Ų3440 Ų4018%0.18221%0.213CC..Hα-helixtrans-60.2-56-166.4-64.9-4.6000112.7R160 N355 L359 S360 R361R160-D357 IonicContact CZ-OD1 3.02Å; R160-D357 IonicContact CZ-OD2 3.94Å; R160-D357 VanDerWaalsContact NH1-CG 3.26Å; R160-D357 IonicContact NH1-OD1 2.7Å; R160-D357 PolarHBondContact NH1-OD1 3.19Å; R160-D357 VanDerWaalsContact NH1-OD1 3.14Å; R160-D357 IonicContact NH1-OD2 3.28Å; R160-D357 PolarHBondContact NH1-OD2 2.88Å; R160-D357 IonicContact NH2-OD1 3.12Å; R160-D357 PolarHBondContact NH2-OD1 3.2Å; R160-D357 IonicContact NH2-OD2 3.48Å; N355-D357 PolarHBondContact O-N 3.23Å; N355-D357 VanDerWaalsContact OD1-CB 3.29Å; N355-D357 WeakPolarHBondContact OD1-CB 3.37Å; N355-D357 VanDerWaalsContact OD1-CG 3.27Å; N355-D357 PolarHBondContact OD1-N 2.93Å; N355-D357 VanDerWaalsContact OD1-N 3.1Å; D357-L359 VanDerWaalsContact C-N 3.29Å; D357-L359 PolarHBondContact O-N 2.83Å; D357-S360 PolarHBondContact O-N 3.41Å; D357-S360 PolarHBondContact O-OG 2.7Å; D357-R361 PolarHBondContact O-N 2.9Å; D357-R361 VanDerWaalsContact O-N 3.11Å
358E93.8Very high93.4Very high72 Ų7245.2 Ų45.234%0.33624%0.236SC..Hα-helixtrans-66.2-34-180-64.9-61.5170.200112.4I356 S360 R361 R362 T408I356-E358 PolarHBondContact O-N 3.2Å; E358-S360 VanDerWaalsContact C-N 3.32Å; E358-S360 PolarHBondContact O-N 2.92Å; E358-R361 PolarHBondContact O-N 3.05Å; E358-R361 IonicContact OE1-CZ 2.62Å; E358-R361 IonicContact OE1-NE 3.14Å; E358-R361 IonicContact OE1-NH2 3.66Å; E358-R361 PolarHBondContact OE1-NH2 2.99Å; E358-R361 IonicContact OE2-CZ 3.3Å; E358-R361 VanDerWaalsContact OE2-CZ 3.28Å; E358-R361 IonicContact OE2-NE 3.63Å; E358-R361 PolarHBondContact OE2-NE 3.34Å; E358-R361 IonicContact OE2-NH2 2.84Å; E358-R361 PolarHBondContact OE2-NH2 3.24Å; E358-R362 PolarHBondContact O-N 3.11Å; E358-R362 VanDerWaalsContact O-N 3.17Å; E358-T408 HydrophobicContact CB-CG2 3.8Å
359L95.1Very high92.8Very high22 Ų2248.1 Ų48.112%0.11525%0.251CS..Hα-helixtrans-64.7-39.7176-59178.2000111.1F353 I356 D357 R362 V363 I406 T408 R418F353-L359 HydrophobicContact CB-CD1 3.78Å; F353-L359 HydrophobicContact CD1-CD1 3.4Å; F353-L359 VanDerWaalsContact CD1-CD1 3.4Å; F353-L359 HydrophobicContact CD2-CD1 4.15Å; F353-L359 HydrophobicContact CE1-CD1 3.95Å; F353-L359 HydrophobicContact CG-CD1 3.51Å; I356-L359 HydrophobicContact CG1-CB 4.27Å; I356-L359 PolarHBondContact O-N 2.82Å; D357-L359 VanDerWaalsContact C-N 3.29Å; D357-L359 PolarHBondContact O-N 2.83Å; L359-R362 PolarHBondContact O-N 2.94Å; L359-V363 PolarHBondContact O-N 3.34Å; L359-I406 HydrophobicContact CD1-CG2 4.08Å; L359-I406 HydrophobicContact CD2-CB 4.2Å; L359-I406 HydrophobicContact CD2-CG2 4.25Å; L359-T408 HydrophobicContact CD2-CG2 3.72Å; L359-R418 HydrophobicContact CD1-CG 4.4Å; L359-R418 HydrophobicContact CD2-CG 3.88Å; L359-R418 HydrophobicContact CG-CG 4.11Å
360S93.5Very high92Very high19 Ų1952.9 Ų52.913%0.13328%0.282CS..Hα-helixtrans-68.2-41.8178.974.50000112.2I356 D357 E358 R362 V363 A364I356-S360 WeakPolarHBondContact O-CB 3.22Å; I356-S360 PolarHBondContact O-N 2.94Å; I356-S360 PolarHBondContact O-OG 3.47Å; D357-S360 PolarHBondContact O-N 3.41Å; D357-S360 PolarHBondContact O-OG 2.7Å; E358-S360 VanDerWaalsContact C-N 3.32Å; E358-S360 PolarHBondContact O-N 2.92Å; S360-R362 VanDerWaalsContact C-N 3.27Å; S360-R362 PolarHBondContact O-N 3.27Å; S360-V363 PolarHBondContact O-N 3.26Å; S360-A364 WeakPolarHBondContact O-CB 3.47Å; S360-A364 PolarHBondContact O-N 2.79Å
361R92.5Very high91.5Very high110 Ų11054.7 Ų54.742%0.41529%0.293SS..Hα-helixtrans-61.3-34.9176.2-82.9-169.9-75.1-131-12.2112.7D357 E358 V363 L372D357-R361 PolarHBondContact O-N 2.9Å; D357-R361 VanDerWaalsContact O-N 3.11Å; E358-R361 PolarHBondContact O-N 3.05Å; E358-R361 IonicContact OE1-CZ 2.62Å; E358-R361 IonicContact OE1-NE 3.14Å; E358-R361 IonicContact OE1-NH2 3.66Å; E358-R361 PolarHBondContact OE1-NH2 2.99Å; E358-R361 IonicContact OE2-CZ 3.3Å; E358-R361 VanDerWaalsContact OE2-CZ 3.28Å; E358-R361 IonicContact OE2-NE 3.63Å; E358-R361 PolarHBondContact OE2-NE 3.34Å; E358-R361 IonicContact OE2-NH2 2.84Å; E358-R361 PolarHBondContact OE2-NH2 3.24Å; R361-V363 VanDerWaalsContact C-N 3.34Å; R361-V363 PolarHBondContact O-N 2.78Å; R361-L372 HydrophobicContact CB-CD2 4.38Å; R361-L372 HydrophobicContact CG-CD2 3.83Å
362R89.1Confident91.2Very high96 Ų9655.9 Ų55.936%0.36230%0.299SS..Hα-helixtrans-67.9-33.5178.8-167.7178-169.4-169.711.9113.5E358 L359 S360 E404 S407 H412E358-R362 PolarHBondContact O-N 3.11Å; E358-R362 VanDerWaalsContact O-N 3.17Å; L359-R362 PolarHBondContact O-N 2.94Å; S360-R362 VanDerWaalsContact C-N 3.27Å; S360-R362 PolarHBondContact O-N 3.27Å; R362-E404 PolarHBondContact NH1-O 3.4Å; R362-S407 PolarHBondContact NH1-O 3.17Å; R362-H412 PolarHBondContact NH1-ND1 2.87Å; R362-H412 PolarHBondContact NH2-CE1 2.83Å; R362-H412 PolarHBondContact NH2-ND1 3.22Å; R362-H412 PolarHBondContact NH2-NE2 3.09Å
363V86.5Confident90.9Very high99 Ų9960.6 Ų60.660%0.632%0.321SS*.Hα-helixtrans-89.3-34.1-175.9179.30000111.7M183 L359 S360 R361M183-V363 HydrophobicContact CE-CG1 3.72Å; L359-V363 PolarHBondContact O-N 3.34Å; S360-V363 PolarHBondContact O-N 3.26Å; R361-V363 VanDerWaalsContact C-N 3.34Å; R361-V363 PolarHBondContact O-N 2.78Å
364A86.5Confident90.6Very high16 Ų1660.9 Ų60.913%0.13232%0.324CS..SBendtrans-80.9141.7-179.800000111.6S360 S366 L372S360-A364 WeakPolarHBondContact O-CB 3.47Å; S360-A364 PolarHBondContact O-N 2.79Å; A364-S366 PolarHBondContact O-N 3.21Å; A364-L372 HydrophobicContact CB-CD1 4Å; A364-L372 HydrophobicContact CB-CD2 3.73Å; A364-L372 HydrophobicContact CB-CG 4.44Å
365P85.3Confident90.4Very high75 Ų7560.6 Ų60.649%0.48732%0.323SS..  trans-60.5135.3168.6-22.532.5000111.4I367 F368P365-I367 HydrophobicContact CB-CG2 4.14Å; P365-I367 PolarHBondContact O-N 3.46Å; P365-F368 HydrophobicContact CB-CD2 3.92Å; P365-F368 HydrophobicContact CB-CE2 4.17Å; P365-F368 HydrophobicContact CG-CD2 4.06Å; P365-F368 HydrophobicContact CG-CE2 4.09Å; P365-F368 WeakPolarHBondContact O-CB 3.26Å; P365-F368 PolarHBondContact O-N 2.82Å
366S86.7Confident90.3Very high93 Ų9359.8 Ų59.865%0.6532%0.318SS*.G310 helixtrans-58.1-23.2-174.156.30000115.2A364 F368 D369A364-S366 PolarHBondContact O-N 3.21Å; S366-F368 PolarHBondContact O-N 3.45Å; S366-F368 VanDerWaalsContact O-N 3.08Å; S366-D369 WeakPolarHBondContact O-CB 3.3Å; S366-D369 PolarHBondContact O-N 3Å
367I86.9Confident90.2Very high139 Ų13961.2 Ų61.271%0.71332%0.324SS*.G310 helixtrans-58.1-21.8172.2-168167000112.9P365P365-I367 HydrophobicContact CB-CG2 4.14Å; P365-I367 PolarHBondContact O-N 3.46Å
368F86.6Confident90.1Very high111 Ų11163 Ų6349%0.48733%0.332SS..G310 helixtrans-92.9-3.3178.5-63-67.9000114P365 S366 P370 V371 L372P365-F368 HydrophobicContact CB-CD2 3.92Å; P365-F368 HydrophobicContact CB-CE2 4.17Å; P365-F368 HydrophobicContact CG-CD2 4.06Å; P365-F368 HydrophobicContact CG-CE2 4.09Å; P365-F368 WeakPolarHBondContact O-CB 3.26Å; P365-F368 PolarHBondContact O-N 2.82Å; S366-F368 PolarHBondContact O-N 3.45Å; S366-F368 VanDerWaalsContact O-N 3.08Å; F368-P370 VanDerWaalsContact C-CD 3.41Å; F368-P370 VanDerWaalsContact C-N 3.35Å; F368-P370 VanDerWaalsContact O-N 3.16Å; F368-V371 CarbonylContact O-C 3.49Å; F368-V371 WeakPolarHBondContact O-CA 3.32Å; F368-V371 PolarHBondContact O-N 2.96Å; F368-L372 WeakPolarHBondContact O-CB 3.44Å; F368-L372 PolarHBondContact O-N 3.45Å
369D86.7Confident90.2Very high64 Ų6462 Ų6234%0.34233%0.326SS..Hα-helixtrans-47.9-45.9-174.7-71.4-14.2000114.3S366 V371 L372 E373S366-D369 WeakPolarHBondContact O-CB 3.3Å; S366-D369 PolarHBondContact O-N 3Å; D369-V371 PolarHBondContact O-N 3.48Å; D369-L372 PolarHBondContact O-N 3.14Å; D369-E373 PolarHBondContact O-N 3.2Å
370P81.5Confident90.2Very high100 Ų10061.1 Ų61.165%0.64932%0.321SS*.Hα-helixtrans-62.3-32.5-179.9-22.734.3000113.6F368 S374F368-P370 VanDerWaalsContact C-CD 3.41Å; F368-P370 VanDerWaalsContact C-N 3.35Å; F368-P370 VanDerWaalsContact O-N 3.16Å; P370-S374 PolarHBondContact O-OG 3.03Å
371V89.3Confident90.3Very high41 Ų4160.9 Ų60.925%0.24832%0.318CS..Hα-helixtrans-87.9-33.8-179.5170.70000110.8I172 I175 F368 D369 S374 V375I172-V371 HydrophobicContact CD1-CB 4.41Å; I172-V371 HydrophobicContact CD1-CG1 3.68Å; I175-V371 HydrophobicContact CD1-CG1 3.53Å; F368-V371 CarbonylContact O-C 3.49Å; F368-V371 WeakPolarHBondContact O-CA 3.32Å; F368-V371 PolarHBondContact O-N 2.96Å; D369-V371 PolarHBondContact O-N 3.48Å; V371-S374 WeakPolarHBondContact O-CB 3.48Å; V371-S374 PolarHBondContact O-N 3.44Å; V371-V375 HydrophobicContact CG1-CG2 4Å; V371-V375 WeakPolarHBondContact O-CG2 3.28Å; V371-V375 PolarHBondContact O-N 3.25Å
372L91.9Very high90.5Very high26 Ų2655.6 Ų55.614%0.13630%0.298CS..Hα-helixtrans-60.7-50.6-177.1178.466.6000111.6R361 A364 F368 D369 S374 V375 V376R361-L372 HydrophobicContact CB-CD2 4.38Å; R361-L372 HydrophobicContact CG-CD2 3.83Å; A364-L372 HydrophobicContact CB-CD1 4Å; A364-L372 HydrophobicContact CB-CD2 3.73Å; A364-L372 HydrophobicContact CB-CG 4.44Å; F368-L372 WeakPolarHBondContact O-CB 3.44Å; F368-L372 PolarHBondContact O-N 3.45Å; D369-L372 PolarHBondContact O-N 3.14Å; L372-S374 PolarHBondContact O-N 2.93Å; L372-V375 PolarHBondContact O-N 3.11Å; L372-V375 VanDerWaalsContact O-N 3.11Å; L372-V376 HydrophobicContact CD1-CG2 4.21Å; L372-V376 HydrophobicContact CG-CG2 4.46Å; L372-V376 WeakPolarHBondContact O-CG2 3.37Å; L372-V376 PolarHBondContact O-N 3.37Å
373E91.7Very high90.9Very high101 Ų10152.1 Ų52.147%0.47229%0.287SS..Hα-helixtrans-54.5-41.5178.7-176.5-176.7161.800111.1D369 V376 K377D369-E373 PolarHBondContact O-N 3.2Å; E373-V376 PolarHBondContact O-N 3.47Å; E373-K377 HydrophobicContact CG-CD 3.97Å; E373-K377 WeakPolarHBondContact O-CB 3.42Å; E373-K377 WeakPolarHBondContact O-CG 3.34Å; E373-K377 PolarHBondContact O-N 2.94Å; E373-K377 VanDerWaalsContact OE1-CE 3.29Å; E373-K377 WeakPolarHBondContact OE1-CE 3.49Å; E373-K377 IonicContact OE1-NZ 2.71Å; E373-K377 PolarHBondContact OE1-NZ 3.41Å
374S93Very high91.5Very high11 Ų1147.4 Ų47.48%0.07726%0.259CS..Hα-helixtrans-67.1-46178.3-56.70000112.6S162 V164 P370 V371 L372 V376 M378S162-S374 WeakPolarHBondContact OG-CA 3.33Å; S162-S374 PolarHBondContact OG-OG 3.27Å; V164-S374 VanDerWaalsContact CG2-CB 3.42Å; V164-S374 WeakPolarHBondContact CG2-OG 3.26Å; P370-S374 PolarHBondContact O-OG 3.03Å; V371-S374 WeakPolarHBondContact O-CB 3.48Å; V371-S374 PolarHBondContact O-N 3.44Å; L372-S374 PolarHBondContact O-N 2.93Å; S374-V376 VanDerWaalsContact C-N 3.32Å; S374-V376 PolarHBondContact O-N 3.17Å; S374-M378 WeakPolarHBondContact O-CB 3.39Å; S374-M378 WeakPolarHBondContact O-CG 3.5Å; S374-M378 PolarHBondContact O-N 3.48Å
375V94.6Very high92.1Very high5 Ų548.5 Ų48.53%0.0326%0.262CS..Hα-helixtrans-59.1-45.2175.8168.10000110.6I172 I175 A176 V371 L372 Y379 L380I172-V375 HydrophobicContact CD1-CG2 4.46Å; I172-V375 HydrophobicContact CG2-CB 4.38Å; I172-V375 HydrophobicContact CG2-CG2 3.72Å; I175-V375 HydrophobicContact CB-CG2 4.14Å; I175-V375 HydrophobicContact CG2-CG2 3.8Å; A176-V375 HydrophobicContact CB-CG1 4.06Å; V371-V375 HydrophobicContact CG1-CG2 4Å; V371-V375 WeakPolarHBondContact O-CG2 3.28Å; V371-V375 PolarHBondContact O-N 3.25Å; L372-V375 PolarHBondContact O-N 3.11Å; L372-V375 VanDerWaalsContact O-N 3.11Å; V375-Y379 WeakPolarHBondContact O-CB 3.41Å; V375-Y379 PolarHBondContact O-N 2.82Å; V375-L380 HydrophobicContact CG1-CD1 3.98Å; V375-L380 PolarHBondContact O-N 3.35Å
376V94.8Very high92.7Very high7 Ų745.4 Ų45.44%0.04224%0.242CC..Hα-helixtrans-63.5-60.5178.6172.30000110.4I356 L372 E373 S374 M378 Y379 L380 D381I356-V376 HydrophobicContact CG2-CG1 3.68Å; L372-V376 HydrophobicContact CD1-CG2 4.21Å; L372-V376 HydrophobicContact CG-CG2 4.46Å; L372-V376 WeakPolarHBondContact O-CG2 3.37Å; L372-V376 PolarHBondContact O-N 3.37Å; E373-V376 PolarHBondContact O-N 3.47Å; S374-V376 VanDerWaalsContact C-N 3.32Å; S374-V376 PolarHBondContact O-N 3.17Å; V376-M378 VanDerWaalsContact C-N 3.27Å; V376-M378 PolarHBondContact O-N 3.49Å; V376-Y379 PolarHBondContact O-N 2.93Å; V376-L380 CarbonylContact O-C 3.5Å; V376-L380 WeakPolarHBondContact O-CA 3.46Å; V376-L380 PolarHBondContact O-N 3.44Å; V376-D381 WeakPolarHBondContact O-CA 3.46Å; V376-D381 PolarHBondContact O-N 3.35Å
377K93.3Very high93.2Very high44 Ų4441 Ų4119%0.19121%0.211CC..Hα-helixtrans-60.2-34.5-175.8-71.1179.2174.8-178.80113.5R160 I161 E373R160-K377 HydrophobicContact CB-CD 4.4Å; R160-K377 HydrophobicContact CB-CG 4.21Å; I161-K377 WeakPolarHBondContact O-CD 3.33Å; E373-K377 HydrophobicContact CG-CD 3.97Å; E373-K377 WeakPolarHBondContact O-CB 3.42Å; E373-K377 WeakPolarHBondContact O-CG 3.34Å; E373-K377 PolarHBondContact O-N 2.94Å; E373-K377 VanDerWaalsContact OE1-CE 3.29Å; E373-K377 WeakPolarHBondContact OE1-CE 3.49Å; E373-K377 IonicContact OE1-NZ 2.71Å; E373-K377 PolarHBondContact OE1-NZ 3.41Å
378M93.2Very high93.7Very high73 Ų7334.4 Ų34.436%0.3618%0.177SC..Hα-helixtrans-86-33.7-176.5-64.7179.569.800114.1I169 I172 S374 V376I169-M378 HydrophobicContact CG1-CE 4.34Å; I169-M378 HydrophobicContact CG2-CE 4.38Å; I172-M378 HydrophobicContact CG2-SD 4.04Å; S374-M378 WeakPolarHBondContact O-CB 3.39Å; S374-M378 WeakPolarHBondContact O-CG 3.5Å; S374-M378 PolarHBondContact O-N 3.48Å; V376-M378 VanDerWaalsContact C-N 3.27Å; V376-M378 PolarHBondContact O-N 3.49Å
379Y95Very high94.3Very high49 Ų4931.3 Ų31.319%0.19217%0.165CC..Hα-helixtrans-130.3-23.8-168.3-64.5-80.8000115I172 W173 A176 H177 P297 V375 V376I172-Y379 HydrophobicContact CB-CE2 4.34Å; I172-Y379 HydrophobicContact CG2-CD2 3.87Å; I172-Y379 HydrophobicContact CG2-CE2 3.61Å; W173-Y379 WeakPolarHBondContact CB-OH 3.37Å; W173-Y379 AromaticContact CD1-CE1 3.75Å; W173-Y379 AromaticContact CD1-CZ 3.86Å; A176-Y379 HydrophobicContact CB-CD1 4.28Å; A176-Y379 HydrophobicContact CB-CD2 3.67Å; A176-Y379 HydrophobicContact CB-CE2 4.43Å; A176-Y379 HydrophobicContact CB-CG 3.6Å; H177-Y379 AromaticContact CE1-CD1 3.69Å; H177-Y379 AromaticContact CE1-CE1 3.67Å; P297-Y379 WeakPolarHBondContact CD-O 3.4Å; P297-Y379 WeakPolarHBondContact CG-O 3.46Å; V375-Y379 WeakPolarHBondContact O-CB 3.41Å; V375-Y379 PolarHBondContact O-N 2.82Å; V376-Y379 PolarHBondContact O-N 2.93Å
380L95.7Very high94.7Very high4 Ų431.9 Ų31.92%0.02117%0.168CC..  trans-131.635.5-171.5-59.7168.5000111.1I181 F296 I356 V375 V376 L382I181-L380 HydrophobicContact CB-CD2 4.48Å; I181-L380 HydrophobicContact CD1-CD2 3.61Å; F296-L380 HydrophobicContact CD1-CD2 4.1Å; F296-L380 HydrophobicContact CE1-CD2 4.24Å; I356-L380 WeakPolarHBondContact CG2-O 3.27Å; V375-L380 HydrophobicContact CG1-CD1 3.98Å; V375-L380 PolarHBondContact O-N 3.35Å; V376-L380 CarbonylContact O-C 3.5Å; V376-L380 WeakPolarHBondContact O-CA 3.46Å; V376-L380 PolarHBondContact O-N 3.44Å; L380-L382 VanDerWaalsContact C-N 3.3Å; L380-L382 PolarHBondContact O-N 2.78Å
381D95.7Very high95.4Very high14 Ų1427.1 Ų27.18%0.07514%0.138CC..  trans-76.779.1-175.2-168.83.3000111R160 V376 N383R160-D381 WeakPolarHBondContact CG-OD2 3.28Å; R160-D381 IonicContact CZ-OD1 2.64Å; R160-D381 IonicContact CZ-OD2 3.04Å; R160-D381 VanDerWaalsContact NE-CG 3.33Å; R160-D381 IonicContact NE-OD1 2.93Å; R160-D381 PolarHBondContact NE-OD1 3.5Å; R160-D381 IonicContact NE-OD2 3.56Å; R160-D381 PolarHBondContact NE-OD2 3.26Å; R160-D381 IonicContact NH2-OD1 3.02Å; R160-D381 PolarHBondContact NH2-OD1 3.33Å; R160-D381 IonicContact NH2-OD2 2.66Å; V376-D381 WeakPolarHBondContact O-CA 3.46Å; V376-D381 PolarHBondContact O-N 3.35Å; D381-N383 PolarHBondContact O-N 2.89Å
382L97.4Very high95.7Very high0 Ų027.6 Ų27.60%014%0.139CC..  trans-85.590.2175-50.8-173.1000109.1T184 Y185 P297 I329 Y332 F353 N355 I356 L380T184-L382 HydrophobicContact CG2-CD1 4.12Å; Y185-L382 HydrophobicContact CE2-CD1 4.24Å; P297-L382 HydrophobicContact CB-CD2 4.19Å; P297-L382 HydrophobicContact CG-CD2 3.85Å; I329-L382 HydrophobicContact CD1-CD1 3.56Å; I329-L382 HydrophobicContact CG1-CD1 3.49Å; I329-L382 VanDerWaalsContact CG1-CD1 3.49Å; Y332-L382 HydrophobicContact CD1-CD2 3.73Å; Y332-L382 HydrophobicContact CD2-CB 3.84Å; Y332-L382 HydrophobicContact CD2-CD2 3.79Å; Y332-L382 HydrophobicContact CD2-CG 4.4Å; Y332-L382 HydrophobicContact CE1-CD2 3.87Å; Y332-L382 HydrophobicContact CE2-CB 4.36Å; Y332-L382 HydrophobicContact CE2-CD2 3.9Å; Y332-L382 HydrophobicContact CG-CB 4.23Å; Y332-L382 HydrophobicContact CG-CD2 3.69Å; Y332-L382 HydrophobicContact CG-CG 4.44Å; F353-L382 HydrophobicContact CE2-CB 4.14Å; F353-L382 HydrophobicContact CZ-CB 4.35Å; N355-L382 VanDerWaalsContact CA-O 3.27Å; N355-L382 WeakPolarHBondContact CA-O 3.36Å; I356-L382 HydrophobicContact CB-CB 4.14Å; I356-L382 HydrophobicContact CD1-CD1 3.79Å; I356-L382 HydrophobicContact CD1-CG 4.34Å; I356-L382 HydrophobicContact CG2-CB 4.07Å; I356-L382 PolarHBondContact N-O 3.23Å; I356-L382 VanDerWaalsContact N-O 3.11Å; L380-L382 VanDerWaalsContact C-N 3.3Å; L380-L382 PolarHBondContact O-N 2.78Å
383N97.4Very high95.9Very high23 Ų2327.2 Ų27.212%0.12314%0.141CC..  trans-115.482.8-177.3-172.8-17.3000111.1D354 N355 D381 L385 S386D354-N383 CarbonylContact O-C 3.59Å; N355-N383 HydrophobicContact CB-CB 4.45Å; D381-N383 PolarHBondContact O-N 2.89Å; N383-L385 VanDerWaalsContact C-N 3.32Å; N383-L385 PolarHBondContact O-N 2.94Å; N383-S386 PolarHBondContact O-N 3.39Å; N383-S386 PolarHBondContact O-OG 2.92Å; N383-S386 WeakPolarHBondContact OD1-CB 3.45Å; N383-S386 PolarHBondContact OD1-N 3.42Å
384N98.5Very high96.2Very high0 Ų023.3 Ų23.30%012%0.124CC..Hα-helixtrans-62.8-41.4-178-55.8-7.9000110.8Y332 T352 F353 D354 S386 H387 V388Y332-N384 WeakPolarHBondContact CA-OD1 3.15Å; Y332-N384 WeakPolarHBondContact CB-OD1 3.22Å; Y332-N384 PolarHBondContact N-OD1 2.88Å; T352-N384 PolarHBondContact OG1-ND2 2.84Å; F353-N384 VanDerWaalsContact O-CB 3.27Å; F353-N384 WeakPolarHBondContact O-CB 3.33Å; F353-N384 PolarHBondContact O-ND2 3.04Å; D354-N384 PolarHBondContact O-N 3.04Å; N384-S386 VanDerWaalsContact C-N 3.26Å; N384-S386 PolarHBondContact O-N 2.88Å; N384-H387 WeakPolarHBondContact O-CA 3.11Å; N384-H387 WeakPolarHBondContact O-CB 3.26Å; N384-H387 PolarHBondContact O-N 3.32Å; N384-V388 WeakPolarHBondContact O-CG2 3.24Å; N384-V388 PolarHBondContact O-N 2.93Å
385L98.6Very high96.4Very high39 Ų3922.8 Ų22.820%0.20412%0.121CC..Hα-helixtrans-56.5-42.3180177.860.7000111.3D354 N383 H387 V388 I389 L422D354-L385 HydrophobicContact CB-CB 4.13Å; D354-L385 PolarHBondContact O-N 3.21Å; N383-L385 VanDerWaalsContact C-N 3.32Å; N383-L385 PolarHBondContact O-N 2.94Å; L385-H387 PolarHBondContact O-N 2.99Å; L385-V388 PolarHBondContact O-N 3.39Å; L385-I389 HydrophobicContact CD1-CG2 3.75Å; L385-I389 HydrophobicContact CG-CG2 4.37Å; L385-I389 WeakPolarHBondContact O-CG1 3.13Å; L385-I389 WeakPolarHBondContact O-CG2 3.4Å; L385-I389 PolarHBondContact O-N 3.22Å; L385-I389 VanDerWaalsContact O-N 3.08Å; L385-L422 HydrophobicContact CB-CD1 4.16Å; L385-L422 HydrophobicContact CD1-CD1 4.28Å
386S97.4Very high96.6Very high10 Ų1022.8 Ų22.87%0.0712%0.12CC..Hα-helixtrans-61.2-27.617777.20000113.8N383 N384 N390N383-S386 PolarHBondContact O-N 3.39Å; N383-S386 PolarHBondContact O-OG 2.92Å; N383-S386 WeakPolarHBondContact OD1-CB 3.45Å; N383-S386 PolarHBondContact OD1-N 3.42Å; N384-S386 VanDerWaalsContact C-N 3.26Å; N384-S386 PolarHBondContact O-N 2.88Å; S386-N390 PolarHBondContact O-ND2 3.47Å
387H98.3Very high96.8Very high0 Ų022.6 Ų22.60%012%0.119CC..Hα-helixtrans-82.5-45.9175-58.8163000111.6T157 Y332 S335 W336 M339 N384 L385 I389 N390T157-H387 VanDerWaalsContact CG2-NE2 3.32Å; T157-H387 WeakPolarHBondContact CG2-NE2 3.32Å; T157-H387 PolarHBondContact OG1-NE2 2.94Å; Y332-H387 AromaticContact CD2-CE1 3.69Å; Y332-H387 AromaticContact CE2-CE1 3.27Å; Y332-H387 WeakPolarHBondContact CE2-CE1 3.41Å; Y332-H387 AromaticContact CE2-NE2 4Å; Y332-H387 AromaticContact CZ-CE1 3.75Å; Y332-H387 PolarHBondContact O-ND1 3.39Å; S335-H387 WeakPolarHBondContact O-CB 3.27Å; S335-H387 PolarHBondContact OG-ND1 2.93Å; S335-H387 VanDerWaalsContact OG-ND1 3.08Å; W336-H387 AromaticContact CD1-CE1 3.91Å; W336-H387 AromaticContact CD1-NE2 3.89Å; W336-H387 PolarHBondContact N-ND1 3.18Å; M339-H387 HydrophobicContact CB-CB 4.23Å; M339-H387 HydrophobicContact SD-CB 4.34Å; N384-H387 WeakPolarHBondContact O-CA 3.11Å; N384-H387 WeakPolarHBondContact O-CB 3.26Å; N384-H387 PolarHBondContact O-N 3.32Å; L385-H387 PolarHBondContact O-N 2.99Å; H387-I389 VanDerWaalsContact C-N 3.32Å; H387-I389 PolarHBondContact O-N 3.05Å; H387-N390 CarbonylContact O-C 3.45Å; H387-N390 WeakPolarHBondContact O-CA 3.4Å; H387-N390 PolarHBondContact O-N 2.89Å
388V98.3Very high97Very high0 Ų020.5 Ų20.50%011%0.11CC..Hα-helixtrans-64.2-37-174.3-177.20000111.4L347 L349 N384 L385 N390 Y391 V395 L422 L426L347-V388 HydrophobicContact CD2-CG2 4.1Å; L349-V388 HydrophobicContact CD1-CG2 3.66Å; N384-V388 WeakPolarHBondContact O-CG2 3.24Å; N384-V388 PolarHBondContact O-N 2.93Å; L385-V388 PolarHBondContact O-N 3.39Å; V388-N390 PolarHBondContact O-N 3.17Å; V388-Y391 PolarHBondContact O-N 3.48Å; V388-V395 HydrophobicContact CG1-CG1 4.37Å; V388-V395 HydrophobicContact CG1-CG2 4.29Å; V388-L422 HydrophobicContact CG2-CD1 4.26Å; V388-L426 HydrophobicContact CG1-CD1 3.69Å; V388-L426 HydrophobicContact CG1-CD2 4.16Å; V388-L426 HydrophobicContact CG1-CG 4.4Å
389I97.4Very high97.2Very high47 Ų4717.1 Ų17.124%0.2419%0.093CC..THydrogen-bonded Turntrans-67.8-16.1174.767.9177.8000113.4L385 H387 Y391 H429L385-I389 HydrophobicContact CD1-CG2 3.75Å; L385-I389 HydrophobicContact CG-CG2 4.37Å; L385-I389 WeakPolarHBondContact O-CG1 3.13Å; L385-I389 WeakPolarHBondContact O-CG2 3.4Å; L385-I389 PolarHBondContact O-N 3.22Å; L385-I389 VanDerWaalsContact O-N 3.08Å; H387-I389 VanDerWaalsContact C-N 3.32Å; H387-I389 PolarHBondContact O-N 3.05Å; I389-Y391 VanDerWaalsContact C-N 3.35Å; I389-H429 HydrophobicContact CB-CB 4.05Å; I389-H429 HydrophobicContact CG2-CB 3.63Å; I389-H429 PolarHBondContact O-CD2 2.93Å; I389-H429 PolarHBondContact O-NE2 3.26Å
390N96.1Very high97.3Very high75 Ų7515 Ų1540%0.4019%0.085SC..THydrogen-bonded Turntrans-9916.6176.6-76.2-75.9000112.4M339 S386 H387 V388M339-N390 HydrophobicContact CG-CB 3.7Å; M339-N390 HydrophobicContact SD-CB 3.93Å; S386-N390 PolarHBondContact O-ND2 3.47Å; H387-N390 CarbonylContact O-C 3.45Å; H387-N390 WeakPolarHBondContact O-CA 3.4Å; H387-N390 PolarHBondContact O-N 2.89Å; V388-N390 PolarHBondContact O-N 3.17Å
391Y96.6Very high97.3Very high1 Ų115.6 Ų15.60%0.0049%0.089CC..  trans-125.5117.3176.6170.4-117.7000109.9A338 P342 I344 G346 L347 V388 I389 G393 P394 V395 R430A338-Y391 HydrophobicContact CB-CD1 3.76Å; A338-Y391 HydrophobicContact CB-CD2 3.83Å; A338-Y391 HydrophobicContact CB-CE1 4.08Å; A338-Y391 HydrophobicContact CB-CE2 4.15Å; A338-Y391 HydrophobicContact CB-CG 3.61Å; A338-Y391 WeakPolarHBondContact O-CD2 3.34Å; P342-Y391 HydrophobicContact CB-CD2 4.18Å; P342-Y391 WeakPolarHBondContact O-CE2 3.41Å; I344-Y391 HydrophobicContact CD1-CE2 4.27Å; I344-Y391 HydrophobicContact CG1-CE2 3.83Å; G346-Y391 WeakPolarHBondContact CA-OH 3.21Å; L347-Y391 HydrophobicContact CB-CD1 4.35Å; L347-Y391 HydrophobicContact CB-CE1 3.77Å; L347-Y391 HydrophobicContact CD2-CD1 4.28Å; V388-Y391 PolarHBondContact O-N 3.48Å; I389-Y391 VanDerWaalsContact C-N 3.35Å; Y391-G393 VanDerWaalsContact CE1-C 3.47Å; Y391-G393 WeakPolarHBondContact CE1-O 3.24Å; Y391-G393 VanDerWaalsContact CZ-C 3.49Å; Y391-G393 WeakPolarHBondContact OH-CA 3.27Å; Y391-P394 WeakPolarHBondContact CE1-O 3.24Å; Y391-P394 WeakPolarHBondContact OH-CD 3.46Å; Y391-P394 PolarHBondContact OH-O 3.03Å; Y391-V395 HydrophobicContact CD1-CG2 3.66Å; Y391-V395 HydrophobicContact CE1-CG2 3.65Å; Y391-R430 PolarHBondContact O-NH2 3.33Å
392D94.8Very high97.3Very high51 Ų5119.2 Ų19.227%0.27311%0.109SC..  trans-85.9-12.9-177.4-76.5-16.7000113.5P489 L490 Y491D392-P489 WeakPolarHBondContact OD2-CB 3.49Å; D392-L490 HydrophobicContact CB-CB 4.12Å; D392-L490 PolarHBondContact OD2-N 3.41Å; D392-Y491 HydrophobicContact CB-CD2 4.3Å; D392-Y491 WeakPolarHBondContact O-CE2 3.39Å
393G95.8Very high97.2Very high17 Ų1719.3 Ų19.318%0.17511%0.109CC..SBendtrans-77.3-173.7-174.300000114.7Y391 R430Y391-G393 VanDerWaalsContact CE1-C 3.47Å; Y391-G393 WeakPolarHBondContact CE1-O 3.24Å; Y391-G393 VanDerWaalsContact CZ-C 3.49Å; Y391-G393 WeakPolarHBondContact OH-CA 3.27Å; G393-R430 PolarHBondContact O-NH1 3.1Å; G393-R430 PolarHBondContact O-NH2 3.36Å
394P97.5Very high97.1Very high20 Ų2021.6 Ų21.613%0.1312%0.119CC..  trans-64.7132.7-176.8-26.539.3000112.9G346 L347 Y391 P536 W537G346-P394 WeakPolarHBondContact CA-O 3.3Å; L347-P394 PolarHBondContact N-O 2.96Å; Y391-P394 WeakPolarHBondContact CE1-O 3.24Å; Y391-P394 WeakPolarHBondContact OH-CD 3.46Å; Y391-P394 PolarHBondContact OH-O 3.03Å; P394-P536 HydrophobicContact CB-CB 3.65Å; P394-W537 WeakPolarHBondContact CB-O 3.39Å
395V98.5Very high97Very high0 Ų024.8 Ų24.80%014%0.138CC..EExtended strand (participates in β ladder)trans-131.1134.9-179.9-179.50000110.2L347 V388 Y391 I397 L426 Y516L347-V395 HydrophobicContact CB-CG2 4.37Å; L347-V395 HydrophobicContact CD2-CG2 4.42Å; L347-V395 CarbonylContact O-C 3.17Å; L347-V395 WeakPolarHBondContact O-CA 3.45Å; V388-V395 HydrophobicContact CG1-CG1 4.37Å; V388-V395 HydrophobicContact CG1-CG2 4.29Å; Y391-V395 HydrophobicContact CD1-CG2 3.66Å; Y391-V395 HydrophobicContact CE1-CG2 3.65Å; V395-I397 HydrophobicContact CG1-CG1 4.23Å; V395-L426 HydrophobicContact CB-CD2 4.2Å; V395-L426 HydrophobicContact CG1-CD2 3.89Å; V395-Y516 HydrophobicContact CB-CD1 4.23Å; V395-Y516 HydrophobicContact CB-CE1 4.26Å; V395-Y516 VanDerWaalsContact O-CD1 3.3Å; V395-Y516 WeakPolarHBondContact O-CD1 3.34Å
396L98.7Very high96.9Very high5 Ų523 Ų233%0.02613%0.129CC..EExtended strand (participates in β ladder)trans-125125.3169.5176.263.1000109.1L347 V348 L349 I398 V518 Q534 P536L347-L396 PolarHBondContact O-N 3.46Å; V348-L396 CarbonylContact C-O 3.56Å; V348-L396 WeakPolarHBondContact CA-O 3.45Å; V348-L396 HydrophobicContact CG1-CD2 4.34Å; L349-L396 PolarHBondContact N-O 3.13Å; L396-I398 HydrophobicContact CD2-CD1 4.21Å; L396-I398 HydrophobicContact CD2-CG1 4.15Å; L396-I398 HydrophobicContact CG-CG1 4.06Å; L396-V518 HydrophobicContact CD1-CB 4.34Å; L396-V518 HydrophobicContact CD1-CG2 3.84Å; L396-Q534 HydrophobicContact CD2-CB 4.26Å; L396-Q534 WeakPolarHBondContact CD2-O 3.31Å; L396-P536 HydrophobicContact CB-CB 4Å; L396-P536 HydrophobicContact CB-CG 4.01Å
397I98.7Very high96.8Very high2 Ų222.6 Ų22.61%0.0113%0.126CC..EExtended strand (participates in β ladder)trans-104.2121.4173.4-62.3171.6000108.1L349 V395 L422 L423 L426 Y516 F517 V518L349-I397 HydrophobicContact CB-CG1 4.39Å; L349-I397 CarbonylContact O-C 3.46Å; L349-I397 WeakPolarHBondContact O-CA 3.45Å; V395-I397 HydrophobicContact CG1-CG1 4.23Å; I397-L422 HydrophobicContact CD1-CD2 4.18Å; I397-L422 HydrophobicContact CD1-CG 3.94Å; I397-L422 HydrophobicContact CG1-CD2 4.43Å; I397-L423 HydrophobicContact CD1-CB 3.96Å; I397-L423 HydrophobicContact CD1-CD1 4.12Å; I397-L426 HydrophobicContact CD1-CD2 4.19Å; I397-Y516 PolarHBondContact N-O 3.35Å; I397-F517 HydrophobicContact CG2-CD2 4.25Å; I397-F517 WeakPolarHBondContact O-CA 3.31Å; I397-V518 PolarHBondContact O-N 3.17Å
398I98.5Very high96.6Very high1 Ų124.2 Ų24.21%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-106.9116.6175.7-53.8173.2000108.1V348 L349 D350 A351 L396 V518 L528 Y532V348-I398 HydrophobicContact CG1-CD1 3.72Å; V348-I398 HydrophobicContact CG1-CG1 4.33Å; L349-I398 PolarHBondContact O-N 3.29Å; D350-I398 HydrophobicContact CB-CB 4.28Å; A351-I398 PolarHBondContact N-O 2.7Å; L396-I398 HydrophobicContact CD2-CD1 4.21Å; L396-I398 HydrophobicContact CD2-CG1 4.15Å; L396-I398 HydrophobicContact CG-CG1 4.06Å; I398-V518 VanDerWaalsContact CA-O 3.31Å; I398-V518 WeakPolarHBondContact CA-O 3.48Å; I398-L528 HydrophobicContact CD1-CD2 4.06Å; I398-L528 HydrophobicContact CG2-CD1 4.03Å; I398-Y532 WeakPolarHBondContact CD1-O 3.31Å
399R97.6Very high96.2Very high1 Ų124.9 Ų24.90%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-99.8141.1173.4-174.7-177.279.2164.9-0110.3R414 N420 L447 F517 V518 E519 S520R399-R414 PolarHBondContact NH1-O 2.98Å; R399-N420 WeakPolarHBondContact CD-OD1 3.28Å; R399-N420 PolarHBondContact NH1-ND2 3.35Å; R399-N420 PolarHBondContact NH1-OD1 3.11Å; R399-L447 PolarHBondContact NH1-O 2.98Å; R399-L447 PolarHBondContact NH2-O 3.25Å; R399-F517 HydrophobicContact CB-CE2 3.51Å; R399-F517 HydrophobicContact CB-CZ 3.71Å; R399-F517 HydrophobicContact CG-CE2 4.42Å; R399-F517 HydrophobicContact CG-CZ 4.47Å; R399-V518 PolarHBondContact N-O 2.88Å; R399-E519 IonicContact CZ-OE2 4Å; R399-E519 VanDerWaalsContact CZ-OE2 3.22Å; R399-E519 IonicContact NE-OE2 3.82Å; R399-E519 PolarHBondContact NE-OE2 2.89Å; R399-E519 VanDerWaalsContact NE-OE2 3.07Å; R399-E519 IonicContact NH2-OE2 2.74Å; R399-E519 PolarHBondContact NH2-OE2 2.9Å; R399-E519 WeakPolarHBondContact O-CA 3.34Å; R399-S520 PolarHBondContact O-N 3.49Å
400R96.9Very high95.6Very high5 Ų530.6 Ų30.62%0.01917%0.174CC..EExtended strand (participates in β ladder)trans-86.8132170.4-50.1-53-174.1108.413.7110.2D350 A351 D402 D403 S520 G522 T526D350-R400 VanDerWaalsContact CG-NH2 3.33Å; D350-R400 IonicContact OD1-CZ 2.75Å; D350-R400 IonicContact OD1-NE 2.78Å; D350-R400 PolarHBondContact OD1-NE 3.33Å; D350-R400 IonicContact OD1-NH2 3.51Å; D350-R400 PolarHBondContact OD1-NH2 3.47Å; D350-R400 IonicContact OD2-CZ 3.52Å; D350-R400 IonicContact OD2-NE 3.56Å; D350-R400 IonicContact OD2-NH2 2.97Å; D350-R400 PolarHBondContact OD2-NH2 3.42Å; A351-R400 HydrophobicContact CB-CG 3.69Å; R400-D402 PolarHBondContact O-N 3.08Å; R400-D403 HydrophobicContact CB-CB 3.99Å; R400-D403 PolarHBondContact O-N 3.32Å; R400-S520 CarbonylContact C-O 3.55Å; R400-S520 WeakPolarHBondContact CA-O 3.34Å; R400-G522 WeakPolarHBondContact CB-O 3.38Å; R400-T526 PolarHBondContact NH1-O 2.89Å
401S94.7Very high95.2Very high16 Ų1632.6 Ų32.611%0.11219%0.185CC..THydrogen-bonded Turntrans-61.1-32.1-172.256.30000113.9R414 S520 P521 G522S401-R414 WeakPolarHBondContact O-CG 3.42Å; S401-R414 PolarHBondContact O-NE 3.32Å; S401-S520 PolarHBondContact N-O 2.67Å; S401-P521 VanDerWaalsContact OG-CA 3.29Å; S401-P521 WeakPolarHBondContact OG-CA 3.47Å; S401-G522 PolarHBondContact OG-N 2.94Å
402D94.9Very high94.7Very high91 Ų9136.4 Ų36.449%0.48720%0.202SC..THydrogen-bonded Turntrans-125.736.1-173.9-49.6-70.2000110.2R400 E404 R414 G522R400-D402 PolarHBondContact O-N 3.08Å; D402-E404 PolarHBondContact O-N 2.81Å; D402-E404 VanDerWaalsContact O-N 3.1Å; D402-R414 IonicContact OD1-NH2 3.71Å; D402-G522 PolarHBondContact N-O 3.48Å; D402-G522 VanDerWaalsContact N-O 3.12Å
403D96.6Very high94.5Very high1 Ų135.4 Ų35.41%0.00520%0.2CC..  trans-65.9108-178.8-158.4-54.1000111.6R400 V405 I406 S407 N417 H524R400-D403 HydrophobicContact CB-CB 3.99Å; R400-D403 PolarHBondContact O-N 3.32Å; D403-V405 PolarHBondContact OD1-N 3.44Å; D403-I406 HydrophobicContact CB-CG1 4.21Å; D403-I406 VanDerWaalsContact OD1-CG1 3.26Å; D403-I406 WeakPolarHBondContact OD1-CG1 3.35Å; D403-I406 PolarHBondContact OD1-N 3.16Å; D403-I406 VanDerWaalsContact OD2-CG1 3.32Å; D403-I406 WeakPolarHBondContact OD2-CG1 3.27Å; D403-S407 WeakPolarHBondContact O-CB 3.32Å; D403-S407 PolarHBondContact O-OG 3.29Å; D403-N417 WeakPolarHBondContact CB-ND2 3.31Å; D403-H524 VanDerWaalsContact CG-ND1 3.27Å; D403-H524 WeakPolarHBondContact OD1-CB 3.42Å; D403-H524 IonicContact OD1-CG 3.44Å; D403-H524 IonicContact OD1-ND1 3.07Å; D403-H524 PolarHBondContact OD1-ND1 2.91Å; D403-H524 IonicContact OD2-CE1 3.47Å; D403-H524 IonicContact OD2-CG 3.64Å; D403-H524 IonicContact OD2-ND1 3.39Å; D403-H524 PolarHBondContact OD2-ND1 3.24Å
404E95.2Very high94.4Very high72 Ų7238.2 Ų38.234%0.33621%0.205SC..SBendtrans-84.2-17.9-179.875.9-77.4-158.600113R362 D402 H412 S523 H524R362-E404 PolarHBondContact NH1-O 3.4Å; D402-E404 PolarHBondContact O-N 2.81Å; D402-E404 VanDerWaalsContact O-N 3.1Å; E404-H412 WeakPolarHBondContact CA-ND1 3.46Å; E404-H412 PolarHBondContact O-CE1 3.46Å; E404-H412 VanDerWaalsContact O-CE1 3.26Å; E404-H412 PolarHBondContact O-ND1 2.82Å; E404-S523 VanDerWaalsContact OE2-CB 3.32Å; E404-S523 WeakPolarHBondContact OE2-CB 3.26Å; E404-H524 WeakPolarHBondContact OE2-CB 3.34Å; E404-H524 PolarHBondContact OE2-N 2.92Å
405V95.3Very high94.3Very high66 Ų6639.2 Ų39.240%0.422%0.215SC..SBendtrans-90.1-47.5-170.6176.90000110.9D403 H524D403-V405 PolarHBondContact OD1-N 3.44Å; V405-H524 HydrophobicContact CB-CB 3.84Å; V405-H524 HydrophobicContact CG2-CB 3.49Å; V405-H524 VanDerWaalsContact CG2-CB 3.49Å
406I96.5Very high94.2Very high2 Ų240.8 Ų40.81%0.0122%0.224CC..SBendtrans-102.58.8-17763.2153.1000114A351 T352 F353 L359 D403 N417 R418A351-I406 VanDerWaalsContact C-CD1 3.5Å; A351-I406 WeakPolarHBondContact O-CD1 3.4Å; T352-I406 WeakPolarHBondContact O-CD1 3.29Å; F353-I406 HydrophobicContact CD1-CG2 4.29Å; L359-I406 HydrophobicContact CD1-CG2 4.08Å; L359-I406 HydrophobicContact CD2-CB 4.2Å; L359-I406 HydrophobicContact CD2-CG2 4.25Å; D403-I406 HydrophobicContact CB-CG1 4.21Å; D403-I406 VanDerWaalsContact OD1-CG1 3.26Å; D403-I406 WeakPolarHBondContact OD1-CG1 3.35Å; D403-I406 PolarHBondContact OD1-N 3.16Å; D403-I406 VanDerWaalsContact OD2-CG1 3.32Å; D403-I406 WeakPolarHBondContact OD2-CG1 3.27Å; I406-N417 WeakPolarHBondContact CD1-OD1 3.32Å; I406-R418 HydrophobicContact CB-CB 4.44Å; I406-R418 VanDerWaalsContact O-CG 3.29Å; I406-R418 WeakPolarHBondContact O-CG 3.29Å; I406-R418 PolarHBondContact O-N 3.3Å
407S96.4Very high94.1Very high1 Ų140.6 Ų40.61%0.00722%0.223CC..BIsolated β-bridgetrans-94.6116.5167.6-53.50000109.6R362 D403 H412 N417R362-S407 PolarHBondContact NH1-O 3.17Å; D403-S407 WeakPolarHBondContact O-CB 3.32Å; D403-S407 PolarHBondContact O-OG 3.29Å; S407-H412 WeakPolarHBondContact CB-O 3.43Å; S407-N417 PolarHBondContact OG-ND2 3.24Å
408T94.1Very high94.1Very high35 Ų3541.5 Ų41.522%0.21523%0.227CC..  trans-93.9-3.6-165.754.80000115.4E358 L359 T416 R418E358-T408 HydrophobicContact CB-CG2 3.8Å; L359-T408 HydrophobicContact CD2-CG2 3.72Å; T408-T416 PolarHBondContact N-O 2.93Å; T408-T416 PolarHBondContact N-OG1 2.86Å; T408-T416 PolarHBondContact OG1-O 3.26Å; T408-R418 HydrophobicContact CG2-CG 4.04Å
409G89.2Confident94.1Very high14 Ų1441.5 Ų41.514%0.14423%0.227CC..SBendtrans-72.3156.2171.900000112.1D411 H412 T416G409-D411 PolarHBondContact O-N 3.35Å; G409-H412 PolarHBondContact O-N 3.14Å; G409-T416 VanDerWaalsContact N-CB 3.25Å; G409-T416 PolarHBondContact N-OG1 3.43Å
410D84.5Confident94.1Very high167 Ų16741.5 Ų41.589%0.89323%0.228SC*.THydrogen-bonded Turntrans-60.1-30.5179.2-67.6-32.2000112.7
411D87.6Confident94.2Very high117 Ų11744.1 Ų44.163%0.62624%0.24SC*.THydrogen-bonded Turntrans-91.13.4177.767.7-19.5000113.7G409 S413G409-D411 PolarHBondContact O-N 3.35Å; D411-S413 VanDerWaalsContact CG-CB 3.48Å; D411-S413 PolarHBondContact O-N 3.02Å; D411-S413 WeakPolarHBondContact OD1-CB 3.48Å; D411-S413 PolarHBondContact OD1-N 3.34Å; D411-S413 PolarHBondContact OD1-OG 2.91Å; D411-S413 VanDerWaalsContact OD2-CB 3.28Å; D411-S413 WeakPolarHBondContact OD2-CB 3.46Å
412H87.2Confident94.4Very high80 Ų8043.4 Ų43.437%0.3724%0.235SC..  trans54.230.6-170.3-52.6-103.2000112.9R362 E404 S407 G409R362-H412 PolarHBondContact NH1-ND1 2.87Å; R362-H412 PolarHBondContact NH2-CE1 2.83Å; R362-H412 PolarHBondContact NH2-ND1 3.22Å; R362-H412 PolarHBondContact NH2-NE2 3.09Å; E404-H412 WeakPolarHBondContact CA-ND1 3.46Å; E404-H412 PolarHBondContact O-CE1 3.46Å; E404-H412 VanDerWaalsContact O-CE1 3.26Å; E404-H412 PolarHBondContact O-ND1 2.82Å; S407-H412 WeakPolarHBondContact CB-O 3.43Å; G409-H412 PolarHBondContact O-N 3.14Å
413S90.6Very high94.5Very high31 Ų3139 Ų3922%0.21721%0.211CC..  trans-58.3144-178.544.50000112.7D411 A415 T416D411-S413 VanDerWaalsContact CG-CB 3.48Å; D411-S413 PolarHBondContact O-N 3.02Å; D411-S413 WeakPolarHBondContact OD1-CB 3.48Å; D411-S413 PolarHBondContact OD1-N 3.34Å; D411-S413 PolarHBondContact OD1-OG 2.91Å; D411-S413 VanDerWaalsContact OD2-CB 3.28Å; D411-S413 WeakPolarHBondContact OD2-CB 3.46Å; S413-A415 PolarHBondContact O-N 3.11Å; S413-A415 VanDerWaalsContact O-N 3.11Å; S413-T416 PolarHBondContact O-N 3.39Å; S413-T416 PolarHBondContact O-OG1 2.75Å
414R93.4Very high94.6Very high75 Ų7539.5 Ų39.528%0.28321%0.214SC..G310 helixtrans-51-35.9172.9-68.9-178.9-153.4102.67.1112.8R399 S401 D402 T416 N417 N420R399-R414 PolarHBondContact NH1-O 2.98Å; S401-R414 WeakPolarHBondContact O-CG 3.42Å; S401-R414 PolarHBondContact O-NE 3.32Å; D402-R414 IonicContact OD1-NH2 3.71Å; R414-T416 PolarHBondContact O-N 3.45Å; R414-N417 VanDerWaalsContact O-CB 3.25Å; R414-N417 WeakPolarHBondContact O-CB 3.31Å; R414-N417 PolarHBondContact O-N 2.88Å; R414-N417 VanDerWaalsContact O-N 3.16Å; R414-N420 PolarHBondContact O-ND2 3.26Å
415A94.6Very high94.8Very high42 Ų4236.8 Ų36.835%0.34721%0.205SC..G310 helixtrans-55.2-37.2177.800000112.6S413 N420S413-A415 PolarHBondContact O-N 3.11Å; S413-A415 VanDerWaalsContact O-N 3.11Å; A415-N420 PolarHBondContact O-ND2 2.93Å
416T96.2Very high95Very high32 Ų3233.6 Ų33.620%0.19619%0.186CC..G310 helixtrans-92.42.3-175.466.90000113.7T408 G409 S413 R414 R418T408-T416 PolarHBondContact N-O 2.93Å; T408-T416 PolarHBondContact N-OG1 2.86Å; T408-T416 PolarHBondContact OG1-O 3.26Å; G409-T416 VanDerWaalsContact N-CB 3.25Å; G409-T416 PolarHBondContact N-OG1 3.43Å; S413-T416 PolarHBondContact O-N 3.39Å; S413-T416 PolarHBondContact O-OG1 2.75Å; R414-T416 PolarHBondContact O-N 3.45Å; T416-R418 PolarHBondContact O-N 3.01Å
417N97.6Very high95Very high1 Ų133.5 Ų33.51%0.00519%0.185CC..BIsolated β-bridgetrans-61.1126.8177.5-167.9-66000110.9D403 I406 S407 R414 G419 N420 H421D403-N417 WeakPolarHBondContact CB-ND2 3.31Å; I406-N417 WeakPolarHBondContact CD1-OD1 3.32Å; S407-N417 PolarHBondContact OG-ND2 3.24Å; R414-N417 VanDerWaalsContact O-CB 3.25Å; R414-N417 WeakPolarHBondContact O-CB 3.31Å; R414-N417 PolarHBondContact O-N 2.88Å; R414-N417 VanDerWaalsContact O-N 3.16Å; N417-G419 PolarHBondContact O-N 3.33Å; N417-G419 WeakPolarHBondContact OD1-CA 3.33Å; N417-G419 PolarHBondContact OD1-N 3.09Å; N417-N420 WeakPolarHBondContact O-CB 3.41Å; N417-N420 PolarHBondContact O-N 2.88Å; N417-H421 PolarHBondContact O-ND1 2.73Å; N417-H421 VanDerWaalsContact O-ND1 3.1Å
418R98.2Very high95.1Very high21 Ų2137.7 Ų37.78%0.07920%0.203CC..Hα-helixtrans-66.4-19.6-179.1-61.1-37.8-61.6-179.1-1113.4F353 D354 L359 I406 T408 T416 N420 H421 L422F353-R418 HydrophobicContact CB-CB 3.35Å; F353-R418 HydrophobicContact CB-CG 4.02Å; D354-R418 VanDerWaalsContact CG-NH2 3.33Å; D354-R418 IonicContact OD1-CZ 3.05Å; D354-R418 IonicContact OD1-NE 3.15Å; D354-R418 PolarHBondContact OD1-NE 2.91Å; D354-R418 IonicContact OD1-NH2 2.83Å; D354-R418 PolarHBondContact OD1-NH2 2.92Å; D354-R418 VanDerWaalsContact OD1-NH2 3.14Å; D354-R418 IonicContact OD2-CZ 3.88Å; D354-R418 IonicContact OD2-NE 2.72Å; D354-R418 IonicContact OD2-NH2 3.49Å; D354-R418 PolarHBondContact OD2-NH2 2.96Å; L359-R418 HydrophobicContact CD1-CG 4.4Å; L359-R418 HydrophobicContact CD2-CG 3.88Å; L359-R418 HydrophobicContact CG-CG 4.11Å; I406-R418 HydrophobicContact CB-CB 4.44Å; I406-R418 VanDerWaalsContact O-CG 3.29Å; I406-R418 WeakPolarHBondContact O-CG 3.29Å; I406-R418 PolarHBondContact O-N 3.3Å; T408-R418 HydrophobicContact CG2-CG 4.04Å; T416-R418 PolarHBondContact O-N 3.01Å; R418-N420 VanDerWaalsContact C-N 3.29Å; R418-N420 PolarHBondContact O-N 3.16Å; R418-H421 PolarHBondContact NH1-CE1 2.98Å; R418-H421 VanDerWaalsContact NH1-CE1 3.32Å; R418-H421 PolarHBondContact NH1-NE2 3.18Å; R418-H421 PolarHBondContact NH2-CD2 3.46Å; R418-H421 VanDerWaalsContact NH2-CD2 3.33Å; R418-H421 PolarHBondContact O-N 2.68Å; R418-L422 PolarHBondContact O-N 2.98Å
419G98.1Very high95.3Very high2 Ų238.8 Ų38.82%0.02121%0.206CC..Hα-helixtrans-63.2-3317000000113T352 N417 L422 L423T352-G419 WeakPolarHBondContact O-CA 3.39Å; T352-G419 PolarHBondContact O-N 3.32Å; N417-G419 PolarHBondContact O-N 3.33Å; N417-G419 WeakPolarHBondContact OD1-CA 3.33Å; N417-G419 PolarHBondContact OD1-N 3.09Å; G419-L422 PolarHBondContact O-N 3.41Å; G419-L423 PolarHBondContact O-N 2.97Å
420N98.1Very high95.7Very high1 Ų138.2 Ų38.21%0.00520%0.199CC..Hα-helixtrans-65.5-44.1174.2-59.6-6.7000110.9R399 R414 A415 N417 R418 L422 L423 I424 L447R399-N420 WeakPolarHBondContact CD-OD1 3.28Å; R399-N420 PolarHBondContact NH1-ND2 3.35Å; R399-N420 PolarHBondContact NH1-OD1 3.11Å; R414-N420 PolarHBondContact O-ND2 3.26Å; A415-N420 PolarHBondContact O-ND2 2.93Å; N417-N420 WeakPolarHBondContact O-CB 3.41Å; N417-N420 PolarHBondContact O-N 2.88Å; R418-N420 VanDerWaalsContact C-N 3.29Å; R418-N420 PolarHBondContact O-N 3.16Å; N420-L422 VanDerWaalsContact C-N 3.27Å; N420-L422 PolarHBondContact O-N 2.84Å; N420-L423 PolarHBondContact O-N 3.44Å; N420-I424 WeakPolarHBondContact O-CB 3.47Å; N420-I424 VanDerWaalsContact O-CG1 3.3Å; N420-I424 WeakPolarHBondContact O-CG1 3.2Å; N420-I424 PolarHBondContact O-N 2.9Å; N420-L447 HydrophobicContact CB-CB 4.48Å; N420-L447 HydrophobicContact CB-CD1 3.94Å
421H98.4Very high96.4Very high60 Ų6030.3 Ų30.328%0.27816%0.157SC..Hα-helixtrans-64.2-37.2-180-64.877.1000111.1D354 N417 R418 G425D354-H421 HydrophobicContact CB-CB 4.12Å; N417-H421 PolarHBondContact O-ND1 2.73Å; N417-H421 VanDerWaalsContact O-ND1 3.1Å; R418-H421 PolarHBondContact NH1-CE1 2.98Å; R418-H421 VanDerWaalsContact NH1-CE1 3.32Å; R418-H421 PolarHBondContact NH1-NE2 3.18Å; R418-H421 PolarHBondContact NH2-CD2 3.46Å; R418-H421 VanDerWaalsContact NH2-CD2 3.33Å; R418-H421 PolarHBondContact O-N 2.68Å; H421-G425 PolarHBondContact O-N 3.03Å
422L98.7Very high96.9Very high0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-64-47173.8177.764000111.5L349 T352 D354 L385 V388 I397 R418 G419 N420 G425 L426L349-L422 HydrophobicContact CD1-CD2 3.83Å; T352-L422 HydrophobicContact CG2-CD2 3.74Å; D354-L422 HydrophobicContact CB-CB 4.09Å; L385-L422 HydrophobicContact CB-CD1 4.16Å; L385-L422 HydrophobicContact CD1-CD1 4.28Å; V388-L422 HydrophobicContact CG2-CD1 4.26Å; I397-L422 HydrophobicContact CD1-CD2 4.18Å; I397-L422 HydrophobicContact CD1-CG 3.94Å; I397-L422 HydrophobicContact CG1-CD2 4.43Å; R418-L422 PolarHBondContact O-N 2.98Å; G419-L422 PolarHBondContact O-N 3.41Å; N420-L422 VanDerWaalsContact C-N 3.27Å; N420-L422 PolarHBondContact O-N 2.84Å; L422-G425 PolarHBondContact O-N 2.61Å; L422-L426 WeakPolarHBondContact O-CB 3.39Å; L422-L426 PolarHBondContact O-N 3.08Å
423L98.7Very high97.4Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-60.1-50.6176.1175.967.1000111.5I397 G419 N420 G425 L426 L427 L447 V513 F517I397-L423 HydrophobicContact CD1-CB 3.96Å; I397-L423 HydrophobicContact CD1-CD1 4.12Å; G419-L423 PolarHBondContact O-N 2.97Å; N420-L423 PolarHBondContact O-N 3.44Å; L423-G425 VanDerWaalsContact C-N 3.33Å; L423-G425 PolarHBondContact O-N 2.95Å; L423-L426 WeakPolarHBondContact O-CB 3.43Å; L423-L426 PolarHBondContact O-N 3.28Å; L423-L427 HydrophobicContact CD1-CD1 3.9Å; L423-L427 HydrophobicContact CD1-CG 4.1Å; L423-L427 HydrophobicContact CG-CD1 3.9Å; L423-L427 HydrophobicContact CG-CG 4.41Å; L423-L427 WeakPolarHBondContact O-CG 3.21Å; L423-L427 PolarHBondContact O-N 2.84Å; L423-L447 HydrophobicContact CD2-CD1 4.06Å; L423-L447 HydrophobicContact CD2-CD2 4.05Å; L423-V513 HydrophobicContact CD2-CG1 4.37Å; L423-F517 HydrophobicContact CD1-CB 4.09Å; L423-F517 HydrophobicContact CD2-CB 3.74Å; L423-F517 HydrophobicContact CD2-CD2 3.72Å; L423-F517 HydrophobicContact CD2-CE2 4.46Å; L423-F517 HydrophobicContact CD2-CG 3.81Å
424I98.7Very high97.7Very high10 Ų1026.6 Ų26.65%0.05113%0.134CC..Hα-helixtrans-59.6-46.4179.8-70.2164.5000110.1N420 L426 L427 K428 M435 E440 L443 N444 L447N420-I424 WeakPolarHBondContact O-CB 3.47Å; N420-I424 VanDerWaalsContact O-CG1 3.3Å; N420-I424 WeakPolarHBondContact O-CG1 3.2Å; N420-I424 PolarHBondContact O-N 2.9Å; I424-L426 VanDerWaalsContact C-N 3.32Å; I424-L426 PolarHBondContact O-N 2.81Å; I424-L427 PolarHBondContact O-N 2.98Å; I424-K428 HydrophobicContact CG2-CD 3.78Å; I424-K428 HydrophobicContact CG2-CG 4.32Å; I424-K428 WeakPolarHBondContact O-CB 3.27Å; I424-K428 VanDerWaalsContact O-CG 3.26Å; I424-K428 WeakPolarHBondContact O-CG 3.47Å; I424-K428 PolarHBondContact O-N 3.27Å; I424-M435 HydrophobicContact CG2-CE 4.09Å; I424-E440 HydrophobicContact CG2-CG 4.33Å; I424-L443 HydrophobicContact CG1-CD2 4.05Å; I424-L443 HydrophobicContact CG1-CG 4.47Å; I424-N444 WeakPolarHBondContact CD1-OD1 3.21Å; I424-L447 HydrophobicContact CD1-CD1 4.13Å; I424-L447 HydrophobicContact CG1-CD1 4.18Å
425G98.6Very high97.9Very high15 Ų1523.8 Ų23.816%0.15512%0.124CC..Hα-helixtrans-59.7-41.4176.800000112.8H421 L422 L423 H429H421-G425 PolarHBondContact O-N 3.03Å; L422-G425 PolarHBondContact O-N 2.61Å; L423-G425 VanDerWaalsContact C-N 3.33Å; L423-G425 PolarHBondContact O-N 2.95Å; G425-H429 PolarHBondContact O-N 3.15Å
426L98.6Very high98Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-62.7-48.5175.2178.658.5000111.8V388 V395 I397 L422 L423 I424 K428 H429 R430 Y516V388-L426 HydrophobicContact CG1-CD1 3.69Å; V388-L426 HydrophobicContact CG1-CD2 4.16Å; V388-L426 HydrophobicContact CG1-CG 4.4Å; V395-L426 HydrophobicContact CB-CD2 4.2Å; V395-L426 HydrophobicContact CG1-CD2 3.89Å; I397-L426 HydrophobicContact CD1-CD2 4.19Å; L422-L426 WeakPolarHBondContact O-CB 3.39Å; L422-L426 PolarHBondContact O-N 3.08Å; L423-L426 WeakPolarHBondContact O-CB 3.43Å; L423-L426 PolarHBondContact O-N 3.28Å; I424-L426 VanDerWaalsContact C-N 3.32Å; I424-L426 PolarHBondContact O-N 2.81Å; L426-K428 PolarHBondContact O-N 3.46Å; L426-H429 PolarHBondContact O-N 2.86Å; L426-R430 HydrophobicContact CD1-CG 3.94Å; L426-R430 PolarHBondContact O-N 3.49Å; L426-Y516 HydrophobicContact CD2-CD1 4.07Å; L426-Y516 HydrophobicContact CD2-CE1 4.42Å
427L98.6Very high98.1Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-66.2-37.4-179.1-67174000111.8L423 I424 H429 R430 F431 M435 L443 L509 V513 Y516L423-L427 HydrophobicContact CD1-CD1 3.9Å; L423-L427 HydrophobicContact CD1-CG 4.1Å; L423-L427 HydrophobicContact CG-CD1 3.9Å; L423-L427 HydrophobicContact CG-CG 4.41Å; L423-L427 WeakPolarHBondContact O-CG 3.21Å; L423-L427 PolarHBondContact O-N 2.84Å; I424-L427 PolarHBondContact O-N 2.98Å; L427-H429 VanDerWaalsContact C-N 3.26Å; L427-H429 PolarHBondContact O-N 3.39Å; L427-R430 PolarHBondContact O-N 3Å; L427-F431 HydrophobicContact CD2-CD2 3.84Å; L427-F431 HydrophobicContact CD2-CE2 4.07Å; L427-F431 CarbonylContact O-C 3.57Å; L427-F431 WeakPolarHBondContact O-CA 3.49Å; L427-F431 PolarHBondContact O-N 3.12Å; L427-M435 HydrophobicContact CB-CG 4.07Å; L427-M435 HydrophobicContact CB-SD 3.92Å; L427-L443 HydrophobicContact CD1-CD2 3.88Å; L427-L509 HydrophobicContact CD1-CD1 4.13Å; L427-V513 HydrophobicContact CD1-CG2 3.74Å; L427-Y516 HydrophobicContact CD2-CD2 4.1Å
428K98.3Very high98Very high89 Ų8934.1 Ų34.139%0.38718%0.175SC..Hα-helixtrans-61.4-36.2174-74.3174.475.7146.90112.2I424 L426 M435 E440I424-K428 HydrophobicContact CG2-CD 3.78Å; I424-K428 HydrophobicContact CG2-CG 4.32Å; I424-K428 WeakPolarHBondContact O-CB 3.27Å; I424-K428 VanDerWaalsContact O-CG 3.26Å; I424-K428 WeakPolarHBondContact O-CG 3.47Å; I424-K428 PolarHBondContact O-N 3.27Å; L426-K428 PolarHBondContact O-N 3.46Å; K428-M435 HydrophobicContact CD-CE 4.45Å; K428-M435 HydrophobicContact CG-CB 3.88Å; K428-M435 HydrophobicContact CG-CE 3.84Å; K428-M435 HydrophobicContact CG-CG 3.95Å; K428-E440 WeakPolarHBondContact CE-OE2 3.4Å; K428-E440 VanDerWaalsContact NZ-CD 3.27Å; K428-E440 IonicContact NZ-OE1 3.96Å; K428-E440 PolarHBondContact NZ-OE1 3.37Å; K428-E440 IonicContact NZ-OE2 2.67Å; K428-E440 PolarHBondContact NZ-OE2 3.25Å
429H98.1Very high98Very high57 Ų5733.3 Ų33.326%0.26417%0.172SC..Hα-helixtrans-74.8-49.5175.2177.773.5000112.1I389 G425 L426 L427 P492I389-H429 HydrophobicContact CB-CB 4.05Å; I389-H429 HydrophobicContact CG2-CB 3.63Å; I389-H429 PolarHBondContact O-CD2 2.93Å; I389-H429 PolarHBondContact O-NE2 3.26Å; G425-H429 PolarHBondContact O-N 3.15Å; L426-H429 PolarHBondContact O-N 2.86Å; L427-H429 VanDerWaalsContact C-N 3.26Å; L427-H429 PolarHBondContact O-N 3.39Å; H429-P492 VanDerWaalsContact O-CB 3.28Å; H429-P492 WeakPolarHBondContact O-CB 3.27Å
430R97.7Very high98Very high3 Ų335.5 Ų35.51%0.01118%0.182CC..Hα-helixtrans-73.1-39.7-174.2-71.1-169.6174.4-158.2-1.3113Y391 G393 L426 L427 Y491 S493 Y516Y391-R430 PolarHBondContact O-NH2 3.33Å; G393-R430 PolarHBondContact O-NH1 3.1Å; G393-R430 PolarHBondContact O-NH2 3.36Å; L426-R430 HydrophobicContact CD1-CG 3.94Å; L426-R430 PolarHBondContact O-N 3.49Å; L427-R430 PolarHBondContact O-N 3Å; R430-Y491 HydrophobicContact CB-CD1 3.54Å; R430-Y491 HydrophobicContact CB-CE1 3.78Å; R430-Y491 HydrophobicContact CB-CG 4.01Å; R430-Y491 HydrophobicContact CG-CD1 3.69Å; R430-Y491 HydrophobicContact CG-CD2 3.87Å; R430-Y491 HydrophobicContact CG-CE1 3.97Å; R430-Y491 HydrophobicContact CG-CE2 4.15Å; R430-Y491 HydrophobicContact CG-CG 3.63Å; R430-Y491 WeakPolarHBondContact O-CD1 3.48Å; R430-S493 WeakPolarHBondContact O-CB 3.29Å; R430-S493 PolarHBondContact O-N 2.84Å; R430-Y516 VanDerWaalsContact NH1-CE1 3.26Å; R430-Y516 PolarHBondContact NH1-OH 2.95Å
431F97.9Very high98Very high0 Ų039.3 Ų39.30%021%0.209CC..  trans-131.961.1-171.4-49.3-72.6000111.8L427 Y433 L434 M435 L476 Y491 L495 L512 Y516L427-F431 HydrophobicContact CD2-CD2 3.84Å; L427-F431 HydrophobicContact CD2-CE2 4.07Å; L427-F431 CarbonylContact O-C 3.57Å; L427-F431 WeakPolarHBondContact O-CA 3.49Å; L427-F431 PolarHBondContact O-N 3.12Å; F431-Y433 PolarHBondContact O-N 2.9Å; F431-Y433 VanDerWaalsContact O-N 3.15Å; F431-L434 HydrophobicContact CB-CB 4.23Å; F431-L434 HydrophobicContact CB-CD1 4.03Å; F431-L434 HydrophobicContact CB-CG 4.32Å; F431-L434 HydrophobicContact CG-CD1 4.45Å; F431-L434 PolarHBondContact O-N 3.42Å; F431-M435 PolarHBondContact O-N 2.79Å; F431-L476 HydrophobicContact CE1-CD1 4.13Å; F431-L476 HydrophobicContact CE1-CD2 4.05Å; F431-L476 HydrophobicContact CZ-CD1 4.43Å; F431-Y491 AromaticContact CE1-CE1 3.81Å; F431-Y491 HydrophobicContact CE1-CE1 3.81Å; F431-Y491 AromaticContact CZ-CE1 3.78Å; F431-Y491 HydrophobicContact CZ-CE1 3.78Å; F431-L495 HydrophobicContact CD1-CB 4.42Å; F431-L495 HydrophobicContact CD1-CD2 4.16Å; F431-L495 HydrophobicContact CE1-CD2 4.28Å; F431-L512 HydrophobicContact CD1-CD1 3.94Å; F431-L512 HydrophobicContact CD2-CD1 3.76Å; F431-L512 HydrophobicContact CE1-CD1 4.04Å; F431-L512 HydrophobicContact CE1-CD2 4.18Å; F431-L512 HydrophobicContact CE2-CD1 3.87Å; F431-L512 HydrophobicContact CE2-CD2 3.92Å; F431-L512 HydrophobicContact CE2-CG 4.36Å; F431-L512 HydrophobicContact CG-CD1 3.79Å; F431-L512 HydrophobicContact CZ-CD1 4.01Å; F431-L512 HydrophobicContact CZ-CD2 3.66Å; F431-L512 HydrophobicContact CZ-CG 4.44Å; F431-Y516 HydrophobicContact CE2-CD2 4.47Å; F431-Y516 AromaticContact CE2-CE2 3.66Å; F431-Y516 HydrophobicContact CE2-CE2 3.66Å; F431-Y516 HydrophobicContact CZ-CE2 4.03Å
432P97.9Very high97.9Very high53 Ų5339 Ų3934%0.34421%0.208SC..THydrogen-bonded Turntrans-60.3-30.5-173.124.7-35.1000113.4L434 M435 P492P432-L434 VanDerWaalsContact C-N 3.33Å; P432-M435 PolarHBondContact O-N 3.3Å; P432-P492 HydrophobicContact CG-CB 3.96Å
433Y98Very high97.8Very high97 Ų9739 Ų3938%0.3821%0.208SC..THydrogen-bonded Turntrans-76.4-18.3179.7-58.9-75.1000113.8F431 S493 L495 K497F431-Y433 PolarHBondContact O-N 2.9Å; F431-Y433 VanDerWaalsContact O-N 3.15Å; Y433-S493 WeakPolarHBondContact CD2-O 3.32Å; Y433-L495 WeakPolarHBondContact CB-O 3.24Å; Y433-K497 HydrophobicContact CD1-CB 3.9Å; Y433-K497 HydrophobicContact CD1-CG 3.96Å; Y433-K497 HydrophobicContact CD2-CB 3.88Å; Y433-K497 HydrophobicContact CE1-CB 4.14Å; Y433-K497 HydrophobicContact CE1-CD 4.09Å; Y433-K497 HydrophobicContact CE1-CG 3.79Å; Y433-K497 HydrophobicContact CE2-CB 4.11Å; Y433-K497 HydrophobicContact CE2-CD 4.21Å; Y433-K497 HydrophobicContact CE2-CG 4.35Å; Y433-K497 HydrophobicContact CG-CB 3.76Å; Y433-K497 HydrophobicContact CG-CG 4.32Å
434L98Very high97.8Very high0 Ų041.8 Ų41.80%022%0.223CC..THydrogen-bonded Turntrans-89.5-27.4172.4-61.5179.1000111.8F431 P432 T436 N439 L495 Q505 I508 L509 L512F431-L434 HydrophobicContact CB-CB 4.23Å; F431-L434 HydrophobicContact CB-CD1 4.03Å; F431-L434 HydrophobicContact CB-CG 4.32Å; F431-L434 HydrophobicContact CG-CD1 4.45Å; F431-L434 PolarHBondContact O-N 3.42Å; P432-L434 VanDerWaalsContact C-N 3.33Å; L434-T436 VanDerWaalsContact C-N 3.25Å; L434-T436 PolarHBondContact O-N 3.25Å; L434-N439 VanDerWaalsContact O-CB 3.29Å; L434-N439 WeakPolarHBondContact O-CB 3.28Å; L434-N439 PolarHBondContact O-ND2 3.3Å; L434-L495 HydrophobicContact CD1-CD2 4.05Å; L434-L495 HydrophobicContact CD1-CG 4.15Å; L434-Q505 HydrophobicContact CD2-CB 4.13Å; L434-Q505 HydrophobicContact CD2-CG 4.3Å; L434-I508 HydrophobicContact CD1-CB 4.43Å; L434-I508 HydrophobicContact CD1-CG2 3.57Å; L434-I508 HydrophobicContact CD2-CB 4.42Å; L434-I508 HydrophobicContact CD2-CG2 4.19Å; L434-L509 HydrophobicContact CB-CB 4.39Å; L434-L509 HydrophobicContact CB-CD1 4.47Å; L434-L512 HydrophobicContact CD1-CD1 3.5Å; L434-L512 VanDerWaalsContact CD1-CD1 3.5Å
435M97.8Very high97.6Very high16 Ų1643.9 Ų43.98%0.07924%0.242CC..  trans-84.560.8178.5-68.4-60.2-5800112.1I424 L427 K428 F431 P432 E440 L443 L509I424-M435 HydrophobicContact CG2-CE 4.09Å; L427-M435 HydrophobicContact CB-CG 4.07Å; L427-M435 HydrophobicContact CB-SD 3.92Å; K428-M435 HydrophobicContact CD-CE 4.45Å; K428-M435 HydrophobicContact CG-CB 3.88Å; K428-M435 HydrophobicContact CG-CE 3.84Å; K428-M435 HydrophobicContact CG-CG 3.95Å; F431-M435 PolarHBondContact O-N 2.79Å; P432-M435 PolarHBondContact O-N 3.3Å; M435-E440 HydrophobicContact CE-CB 3.89Å; M435-E440 HydrophobicContact CE-CG 4.01Å; M435-L443 HydrophobicContact CE-CD2 4.16Å; M435-L443 HydrophobicContact SD-CD2 4.2Å; M435-L509 HydrophobicContact SD-CD1 3.65Å; M435-L509 HydrophobicContact SD-CD2 3.83Å; M435-L509 HydrophobicContact SD-CG 4.41Å
436T96.6Very high97.5Very high48 Ų4844.6 Ų44.629%0.29424%0.24SC..  trans-67.9163.6168.868.90000110.7L434 E438 N439 E440L434-T436 VanDerWaalsContact C-N 3.25Å; L434-T436 PolarHBondContact O-N 3.25Å; T436-E438 PolarHBondContact O-N 3.25Å; T436-N439 PolarHBondContact O-N 3.49Å; T436-N439 WeakPolarHBondContact OG1-CB 3.27Å; T436-N439 PolarHBondContact OG1-N 3.24Å; T436-N439 VanDerWaalsContact OG1-N 3.12Å; T436-E440 WeakPolarHBondContact O-CB 3.24Å; T436-E440 PolarHBondContact O-N 3.07Å
437V96.8Very high97.4Very high133 Ų13344.6 Ų44.681%0.80624%0.24SC*.Hα-helixtrans-56.8-39.3176.8177.40000111.5S441V437-S441 PolarHBondContact O-N 3.44Å; V437-S441 VanDerWaalsContact O-N 3.11Å
438E97.1Very high97.2Very high112 Ų11246.9 Ų46.952%0.52326%0.256SS..Hα-helixtrans-65.9-51.6176.5-176.9178.3-179.500111.4T436 E440 S441 I442T436-E438 PolarHBondContact O-N 3.25Å; E438-E440 VanDerWaalsContact C-N 3.3Å; E438-E440 PolarHBondContact O-N 2.69Å; E438-S441 WeakPolarHBondContact O-CB 3.37Å; E438-S441 PolarHBondContact O-N 2.91Å; E438-S441 VanDerWaalsContact O-N 3.08Å; E438-I442 HydrophobicContact CG-CD1 3.93Å; E438-I442 WeakPolarHBondContact O-CG1 3.26Å; E438-I442 PolarHBondContact O-N 2.7Å
439N97.3Very high97.1Very high3 Ų344.7 Ų44.72%0.01625%0.249CC..Hα-helixtrans-64-35.5-179.8-76.7-11.5000112.5L434 T436 I442 L443 L509L434-N439 VanDerWaalsContact O-CB 3.29Å; L434-N439 WeakPolarHBondContact O-CB 3.28Å; L434-N439 PolarHBondContact O-ND2 3.3Å; T436-N439 PolarHBondContact O-N 3.49Å; T436-N439 WeakPolarHBondContact OG1-CB 3.27Å; T436-N439 PolarHBondContact OG1-N 3.24Å; T436-N439 VanDerWaalsContact OG1-N 3.12Å; N439-I442 PolarHBondContact O-N 3.42Å; N439-L443 VanDerWaalsContact O-CB 3.22Å; N439-L443 WeakPolarHBondContact O-CB 3.44Å; N439-L443 PolarHBondContact O-N 2.96Å; N439-L509 HydrophobicContact CB-CD2 3.76Å
440E98.2Very high96.8Very high48 Ų4843.1 Ų43.122%0.22424%0.244CC..Hα-helixtrans-63.1-42.3172.8-174.6169.4171.100111.2I424 K428 M435 T436 E438 L443 N444I424-E440 HydrophobicContact CG2-CG 4.33Å; K428-E440 WeakPolarHBondContact CE-OE2 3.4Å; K428-E440 VanDerWaalsContact NZ-CD 3.27Å; K428-E440 IonicContact NZ-OE1 3.96Å; K428-E440 PolarHBondContact NZ-OE1 3.37Å; K428-E440 IonicContact NZ-OE2 2.67Å; K428-E440 PolarHBondContact NZ-OE2 3.25Å; M435-E440 HydrophobicContact CE-CB 3.89Å; M435-E440 HydrophobicContact CE-CG 4.01Å; T436-E440 WeakPolarHBondContact O-CB 3.24Å; T436-E440 PolarHBondContact O-N 3.07Å; E438-E440 VanDerWaalsContact C-N 3.3Å; E438-E440 PolarHBondContact O-N 2.69Å; E440-L443 PolarHBondContact O-N 3.35Å; E440-N444 WeakPolarHBondContact O-CB 3.41Å; E440-N444 PolarHBondContact O-N 3.09Å; E440-N444 PolarHBondContact O-ND2 3.47Å
441S97.9Very high96.3Very high81 Ų8144.5 Ų44.557%0.56626%0.257SS*.Hα-helixtrans-64.2-45.3176-176.30000112V437 E438 N444 A445V437-S441 PolarHBondContact O-N 3.44Å; V437-S441 VanDerWaalsContact O-N 3.11Å; E438-S441 WeakPolarHBondContact O-CB 3.37Å; E438-S441 PolarHBondContact O-N 2.91Å; E438-S441 VanDerWaalsContact O-N 3.08Å; S441-N444 PolarHBondContact O-N 3.38Å; S441-A445 PolarHBondContact O-N 2.89Å
442I96.1Very high96Very high53 Ų5350.4 Ų50.427%0.27228%0.284SS..Hα-helixtrans-63.2-43.3177.4-66170.1000110.8E438 N439 A445 Y446 F510E438-I442 HydrophobicContact CG-CD1 3.93Å; E438-I442 WeakPolarHBondContact O-CG1 3.26Å; E438-I442 PolarHBondContact O-N 2.7Å; N439-I442 PolarHBondContact O-N 3.42Å; I442-A445 PolarHBondContact O-N 3.01Å; I442-Y446 WeakPolarHBondContact O-CB 3.36Å; I442-Y446 PolarHBondContact O-N 3.06Å; I442-F510 HydrophobicContact CG2-CE2 3.94Å; I442-F510 HydrophobicContact CG2-CZ 3.92Å
443L97.2Very high95.7Very high0 Ų052.1 Ų52.10%029%0.288CS..Hα-helixtrans-64.1-41.9178.1179.758000111.8I424 L427 M435 N439 E440 A445 Y446 L447 F510 V513I424-L443 HydrophobicContact CG1-CD2 4.05Å; I424-L443 HydrophobicContact CG1-CG 4.47Å; L427-L443 HydrophobicContact CD1-CD2 3.88Å; M435-L443 HydrophobicContact CE-CD2 4.16Å; M435-L443 HydrophobicContact SD-CD2 4.2Å; N439-L443 VanDerWaalsContact O-CB 3.22Å; N439-L443 WeakPolarHBondContact O-CB 3.44Å; N439-L443 PolarHBondContact O-N 2.96Å; E440-L443 PolarHBondContact O-N 3.35Å; L443-A445 VanDerWaalsContact C-N 3.33Å; L443-A445 PolarHBondContact O-N 3.19Å; L443-Y446 HydrophobicContact CD1-CD1 4.32Å; L443-Y446 PolarHBondContact O-N 3.14Å; L443-L447 HydrophobicContact CD1-CD1 4Å; L443-L447 HydrophobicContact CD1-CD2 4.45Å; L443-L447 HydrophobicContact CD1-CG 3.94Å; L443-L447 HydrophobicContact CG-CD1 3.93Å; L443-L447 HydrophobicContact CG-CG 4.32Å; L443-L447 WeakPolarHBondContact O-CB 3.44Å; L443-L447 VanDerWaalsContact O-CG 3.29Å; L443-L447 WeakPolarHBondContact O-CG 3.38Å; L443-L447 PolarHBondContact O-N 3.1Å; L443-F510 HydrophobicContact CD1-CE1 4.25Å; L443-V513 HydrophobicContact CD1-CG1 4.36Å; L443-V513 HydrophobicContact CD1-CG2 3.68Å; L443-V513 HydrophobicContact CD2-CG2 4.25Å
444N97.8Very high95.4Very high59 Ų5948.2 Ų48.232%0.31627%0.273SS..Hα-helixtrans-59.6-44.1174.1-84.5-71.7000111.7I424 E440 S441 L447 S448I424-N444 WeakPolarHBondContact CD1-OD1 3.21Å; E440-N444 WeakPolarHBondContact O-CB 3.41Å; E440-N444 PolarHBondContact O-N 3.09Å; E440-N444 PolarHBondContact O-ND2 3.47Å; S441-N444 PolarHBondContact O-N 3.38Å; N444-L447 PolarHBondContact O-N 3.37Å; N444-S448 PolarHBondContact O-N 3.47Å; N444-S448 VanDerWaalsContact O-N 3.16Å
445A96.2Very high95Very high54 Ų5454.9 Ų54.945%0.44630%0.298SS..Hα-helixtrans-61.1-47.9175.300000111S441 I442 L443 L447 S448S441-A445 PolarHBondContact O-N 2.89Å; I442-A445 PolarHBondContact O-N 3.01Å; L443-A445 VanDerWaalsContact C-N 3.33Å; L443-A445 PolarHBondContact O-N 3.19Å; A445-L447 PolarHBondContact O-N 3.45Å; A445-S448 WeakPolarHBondContact O-CB 3.3Å; A445-S448 PolarHBondContact O-N 2.89Å; A445-S448 VanDerWaalsContact O-N 3.11Å; A445-S448 PolarHBondContact O-OG 3.29Å
446Y95.5Very high94.6Very high30 Ų3057.5 Ų57.512%0.11831%0.312CS..Hα-helixtrans-58.3-44.3176.5173.6-92.4000113.1I442 L443 S448 L449 Q454 F458 F510 V513I442-Y446 WeakPolarHBondContact O-CB 3.36Å; I442-Y446 PolarHBondContact O-N 3.06Å; L443-Y446 HydrophobicContact CD1-CD1 4.32Å; L443-Y446 PolarHBondContact O-N 3.14Å; Y446-S448 PolarHBondContact O-N 3.36Å; Y446-L449 WeakPolarHBondContact O-CB 3.41Å; Y446-L449 PolarHBondContact O-N 3.39Å; Y446-L449 VanDerWaalsContact O-N 3.15Å; Y446-Q454 HydrophobicContact CD1-CG 4.5Å; Y446-Q454 HydrophobicContact CD2-CB 4.37Å; Y446-Q454 HydrophobicContact CD2-CG 3.94Å; Y446-Q454 HydrophobicContact CE1-CG 4.11Å; Y446-Q454 HydrophobicContact CE2-CB 3.58Å; Y446-Q454 HydrophobicContact CE2-CG 3.5Å; Y446-Q454 HydrophobicContact CG-CG 4.41Å; Y446-Q454 VanDerWaalsContact CZ-CD 3.44Å; Y446-Q454 PolarHBondContact O-NE2 3.11Å; Y446-Q454 PolarHBondContact OH-OE1 3.17Å; Y446-F458 HydrophobicContact CD2-CZ 4.21Å; Y446-F458 HydrophobicContact CE2-CD2 4.48Å; Y446-F458 HydrophobicContact CE2-CE1 4.09Å; Y446-F458 AromaticContact CE2-CE2 3.62Å; Y446-F458 HydrophobicContact CE2-CE2 3.62Å; Y446-F458 AromaticContact CE2-CZ 3.38Å; Y446-F458 HydrophobicContact CE2-CZ 3.38Å; Y446-F458 AromaticContact CZ-CE2 3.84Å; Y446-F458 AromaticContact CZ-CZ 3.77Å; Y446-F458 WeakPolarHBondContact OH-CE2 3.48Å; Y446-F510 HydrophobicContact CD1-CD1 4.41Å; Y446-F510 AromaticContact CD1-CE1 3.67Å; Y446-F510 HydrophobicContact CD1-CE1 3.67Å; Y446-F510 HydrophobicContact CD2-CD1 4.41Å; Y446-F510 AromaticContact CD2-CE1 3.63Å; Y446-F510 HydrophobicContact CD2-CE1 3.63Å; Y446-F510 HydrophobicContact CD2-CZ 4.23Å; Y446-F510 HydrophobicContact CE1-CD1 4.46Å; Y446-F510 HydrophobicContact CE1-CE1 4.13Å; Y446-F510 HydrophobicContact CE2-CD1 4.44Å; Y446-F510 HydrophobicContact CE2-CE1 4.08Å; Y446-F510 HydrophobicContact CG-CD1 4.4Å; Y446-F510 AromaticContact CG-CE1 3.4Å; Y446-F510 HydrophobicContact CG-CE1 3.4Å; Y446-F510 HydrophobicContact CG-CZ 4.03Å; Y446-V513 HydrophobicContact CE1-CG1 4.34Å
447L96.4Very high94.2Very high0 Ų057.5 Ų57.50%031%0.312CS..Hα-helixtrans-69.7-17.4179.6-67.5172.5000112.8R399 N420 L423 I424 L443 N444 A445 L449 F517R399-L447 PolarHBondContact NH1-O 2.98Å; R399-L447 PolarHBondContact NH2-O 3.25Å; N420-L447 HydrophobicContact CB-CB 4.48Å; N420-L447 HydrophobicContact CB-CD1 3.94Å; L423-L447 HydrophobicContact CD2-CD1 4.06Å; L423-L447 HydrophobicContact CD2-CD2 4.05Å; I424-L447 HydrophobicContact CD1-CD1 4.13Å; I424-L447 HydrophobicContact CG1-CD1 4.18Å; L443-L447 HydrophobicContact CD1-CD1 4Å; L443-L447 HydrophobicContact CD1-CD2 4.45Å; L443-L447 HydrophobicContact CD1-CG 3.94Å; L443-L447 HydrophobicContact CG-CD1 3.93Å; L443-L447 HydrophobicContact CG-CG 4.32Å; L443-L447 WeakPolarHBondContact O-CB 3.44Å; L443-L447 VanDerWaalsContact O-CG 3.29Å; L443-L447 WeakPolarHBondContact O-CG 3.38Å; L443-L447 PolarHBondContact O-N 3.1Å; N444-L447 PolarHBondContact O-N 3.37Å; A445-L447 PolarHBondContact O-N 3.45Å; L447-L449 VanDerWaalsContact C-N 3.34Å; L447-F517 HydrophobicContact CD2-CD1 4.46Å; L447-F517 HydrophobicContact CD2-CE1 4.12Å; L447-F517 HydrophobicContact CD2-CE2 4.43Å; L447-F517 HydrophobicContact CD2-CZ 4.09Å
448S95.3Very high93.7Very high48 Ų4852.6 Ų52.634%0.33628%0.28SS..Hα-helixtrans-76.1-23.4173.278.10000113.4N444 A445 Y446N444-S448 PolarHBondContact O-N 3.47Å; N444-S448 VanDerWaalsContact O-N 3.16Å; A445-S448 WeakPolarHBondContact O-CB 3.3Å; A445-S448 PolarHBondContact O-N 2.89Å; A445-S448 VanDerWaalsContact O-N 3.11Å; A445-S448 PolarHBondContact O-OG 3.29Å; Y446-S448 PolarHBondContact O-N 3.36Å
449L94.6Very high93.1Very high43 Ų4353 Ų5323%0.22529%0.285CS..SBendtrans-71.7155.5-179.7-58.9179.2000111.7Y446 L447 E453 Q454Y446-L449 WeakPolarHBondContact O-CB 3.41Å; Y446-L449 PolarHBondContact O-N 3.39Å; Y446-L449 VanDerWaalsContact O-N 3.15Å; L447-L449 VanDerWaalsContact C-N 3.34Å; L449-E453 HydrophobicContact CB-CB 3.84Å; L449-E453 HydrophobicContact CD1-CB 4.35Å; L449-E453 HydrophobicContact CD2-CB 4.2Å; L449-E453 HydrophobicContact CG-CB 4.34Å; L449-Q454 HydrophobicContact CB-CG 3.78Å; L449-Q454 HydrophobicContact CD1-CG 4.5Å
450S91.9Very high92.6Very high24 Ų2460.8 Ų60.817%0.16832%0.322CS..  trans-70.9159.2164.965.30000111.5E452 E453 Q454S450-E452 PolarHBondContact O-N 2.81Å; S450-E452 VanDerWaalsContact O-N 3.11Å; S450-E453 VanDerWaalsContact CB-OE2 3.25Å; S450-E453 WeakPolarHBondContact CB-OE2 3.46Å; S450-E453 PolarHBondContact N-OE2 2.72Å; S450-E453 PolarHBondContact O-N 3.15Å; S450-E453 VanDerWaalsContact O-N 3.11Å; S450-E453 VanDerWaalsContact OG-CD 3.26Å; S450-E453 VanDerWaalsContact OG-CG 3.31Å; S450-E453 WeakPolarHBondContact OG-CG 3.49Å; S450-E453 PolarHBondContact OG-N 3.42Å; S450-E453 PolarHBondContact OG-OE2 3.37Å; S450-Q454 WeakPolarHBondContact O-CG 3.04Å; S450-Q454 PolarHBondContact O-N 2.85Å
451A88.5Confident91.8Very high33 Ų3363.2 Ų63.227%0.27334%0.336SS..Hα-helixtrans-54.6-29.9174.500000114.1R455 E519A451-R455 WeakPolarHBondContact O-CG 3.38Å; A451-R455 VanDerWaalsContact O-CZ 3.3Å; A451-R455 PolarHBondContact O-N 3.35Å; A451-R455 PolarHBondContact O-NH1 2.59Å; A451-E519 WeakPolarHBondContact CB-OE1 3.28Å; A451-E519 PolarHBondContact N-OE1 3.01Å
452E90.5Very high90.9Very high124 Ų12467 Ų6758%0.57935%0.35SS*.Hα-helixtrans-72.3-48.2175.4-174.6175.9174.100111.8S450 Q454 R455 N456S450-E452 PolarHBondContact O-N 2.81Å; S450-E452 VanDerWaalsContact O-N 3.11Å; E452-Q454 VanDerWaalsContact C-N 3.31Å; E452-Q454 PolarHBondContact O-N 2.87Å; E452-R455 PolarHBondContact O-N 3.13Å; E452-N456 VanDerWaalsContact O-CG 3.24Å; E452-N456 PolarHBondContact O-N 2.69Å; E452-N456 PolarHBondContact O-ND2 2.93Å; E452-N456 PolarHBondContact O-OD1 3.25Å
453E93.2Very high90.2Very high89 Ų8965.6 Ų65.642%0.41634%0.341SS..Hα-helixtrans-61.1-40.3176.1-71161143.500111.6L449 S450 R455 N456 T457L449-E453 HydrophobicContact CB-CB 3.84Å; L449-E453 HydrophobicContact CD1-CB 4.35Å; L449-E453 HydrophobicContact CD2-CB 4.2Å; L449-E453 HydrophobicContact CG-CB 4.34Å; S450-E453 VanDerWaalsContact CB-OE2 3.25Å; S450-E453 WeakPolarHBondContact CB-OE2 3.46Å; S450-E453 PolarHBondContact N-OE2 2.72Å; S450-E453 PolarHBondContact O-N 3.15Å; S450-E453 VanDerWaalsContact O-N 3.11Å; S450-E453 VanDerWaalsContact OG-CD 3.26Å; S450-E453 VanDerWaalsContact OG-CG 3.31Å; S450-E453 WeakPolarHBondContact OG-CG 3.49Å; S450-E453 PolarHBondContact OG-N 3.42Å; S450-E453 PolarHBondContact OG-OE2 3.37Å; E453-R455 PolarHBondContact O-N 3.24Å; E453-N456 PolarHBondContact O-N 3.39Å; E453-N456 VanDerWaalsContact O-N 3.17Å; E453-T457 PolarHBondContact O-N 2.83Å; E453-T457 PolarHBondContact O-OG1 2.9Å
454Q91.5Very high89.5Confident14 Ų1470 Ų707%0.06537%0.365CS..Hα-helixtrans-58.5-44.4174.6-72.3179.2-8.200112.2Y446 L449 S450 E452 T457 F458Y446-Q454 HydrophobicContact CD1-CG 4.5Å; Y446-Q454 HydrophobicContact CD2-CB 4.37Å; Y446-Q454 HydrophobicContact CD2-CG 3.94Å; Y446-Q454 HydrophobicContact CE1-CG 4.11Å; Y446-Q454 HydrophobicContact CE2-CB 3.58Å; Y446-Q454 HydrophobicContact CE2-CG 3.5Å; Y446-Q454 HydrophobicContact CG-CG 4.41Å; Y446-Q454 VanDerWaalsContact CZ-CD 3.44Å; Y446-Q454 PolarHBondContact O-NE2 3.11Å; Y446-Q454 PolarHBondContact OH-OE1 3.17Å; L449-Q454 HydrophobicContact CB-CG 3.78Å; L449-Q454 HydrophobicContact CD1-CG 4.5Å; S450-Q454 WeakPolarHBondContact O-CG 3.04Å; S450-Q454 PolarHBondContact O-N 2.85Å; E452-Q454 VanDerWaalsContact C-N 3.31Å; E452-Q454 PolarHBondContact O-N 2.87Å; Q454-T457 PolarHBondContact O-N 2.76Å; Q454-F458 PolarHBondContact O-N 3.47Å
455R88Confident88.5Confident141 Ų14168.1 Ų68.153%0.53236%0.356SS..Hα-helixtrans-64.2-41.7175.2-74.2-172.9-58.2-88.21.9111.4A451 E452 E453 T457 F458 N459A451-R455 WeakPolarHBondContact O-CG 3.38Å; A451-R455 VanDerWaalsContact O-CZ 3.3Å; A451-R455 PolarHBondContact O-N 3.35Å; A451-R455 PolarHBondContact O-NH1 2.59Å; E452-R455 PolarHBondContact O-N 3.13Å; E453-R455 PolarHBondContact O-N 3.24Å; R455-T457 VanDerWaalsContact C-N 3.34Å; R455-T457 PolarHBondContact O-N 2.94Å; R455-F458 PolarHBondContact O-N 3.18Å; R455-N459 PolarHBondContact O-N 3.22Å; R455-N459 PolarHBondContact O-ND2 3.48Å
456N91Very high88.1Confident70 Ų7070.2 Ų70.237%0.37436%0.356SS..Hα-helixtrans-63.3-41.2178.2-65.3-17.4000111.3E452 E453 F458 N459 E460E452-N456 VanDerWaalsContact O-CG 3.24Å; E452-N456 PolarHBondContact O-N 2.69Å; E452-N456 PolarHBondContact O-ND2 2.93Å; E452-N456 PolarHBondContact O-OD1 3.25Å; E453-N456 PolarHBondContact O-N 3.39Å; E453-N456 VanDerWaalsContact O-N 3.17Å; N456-F458 VanDerWaalsContact C-N 3.32Å; N456-F458 PolarHBondContact O-N 3.26Å; N456-N459 PolarHBondContact O-N 3.31Å; N456-E460 WeakPolarHBondContact O-CB 2.98Å; N456-E460 WeakPolarHBondContact O-CG 3.33Å; N456-E460 PolarHBondContact O-N 2.94Å
457T87.2Confident87.8Confident48 Ų4875.5 Ų75.529%0.29438%0.382SS..Hα-helixtrans-57.6-42.8174.9-56.60000112.1E453 Q454 R455 L461E453-T457 PolarHBondContact O-N 2.83Å; E453-T457 PolarHBondContact O-OG1 2.9Å; Q454-T457 PolarHBondContact O-N 2.76Å; R455-T457 VanDerWaalsContact C-N 3.34Å; R455-T457 PolarHBondContact O-N 2.94Å; T457-L461 HydrophobicContact CG2-CD1 4.26Å; T457-L461 VanDerWaalsContact O-CG 3.29Å; T457-L461 WeakPolarHBondContact O-CG 3.36Å; T457-L461 PolarHBondContact O-N 3.47Å
458F85.8Confident87.6Confident30 Ų3077.1 Ų77.113%0.13239%0.389CS..Hα-helixtrans-72.7-36.8177.4-66.5-37000113.4Y446 Q454 R455 N456 L461 D462 Y463 P465 F510Y446-F458 HydrophobicContact CD2-CZ 4.21Å; Y446-F458 HydrophobicContact CE2-CD2 4.48Å; Y446-F458 HydrophobicContact CE2-CE1 4.09Å; Y446-F458 AromaticContact CE2-CE2 3.62Å; Y446-F458 HydrophobicContact CE2-CE2 3.62Å; Y446-F458 AromaticContact CE2-CZ 3.38Å; Y446-F458 HydrophobicContact CE2-CZ 3.38Å; Y446-F458 AromaticContact CZ-CE2 3.84Å; Y446-F458 AromaticContact CZ-CZ 3.77Å; Y446-F458 WeakPolarHBondContact OH-CE2 3.48Å; Q454-F458 PolarHBondContact O-N 3.47Å; R455-F458 PolarHBondContact O-N 3.18Å; N456-F458 VanDerWaalsContact C-N 3.32Å; N456-F458 PolarHBondContact O-N 3.26Å; F458-L461 PolarHBondContact O-N 3.48Å; F458-D462 PolarHBondContact O-N 2.82Å; F458-Y463 AromaticContact CD1-CD1 3.64Å; F458-Y463 HydrophobicContact CD1-CD1 3.64Å; F458-Y463 HydrophobicContact CD1-CE1 4.35Å; F458-Y463 AromaticContact CE1-CD1 3.89Å; F458-Y463 HydrophobicContact CE1-CD1 3.89Å; F458-Y463 HydrophobicContact CE1-CE1 4.15Å; F458-Y463 HydrophobicContact CG-CD1 4.36Å; F458-Y463 PolarHBondContact O-N 3.26Å; F458-Y463 VanDerWaalsContact O-N 3.1Å; F458-P465 HydrophobicContact CE2-CG 4.36Å; F458-F510 HydrophobicContact CE1-CB 4.32Å; F458-F510 AromaticContact CE1-CD1 3.98Å; F458-F510 HydrophobicContact CE1-CD1 3.98Å; F458-F510 HydrophobicContact CE1-CD2 4.47Å; F458-F510 HydrophobicContact CE1-CE1 4.44Å; F458-F510 HydrophobicContact CE1-CG 4Å; F458-F510 HydrophobicContact CZ-CB 4.21Å; F458-F510 AromaticContact CZ-CD1 3.66Å; F458-F510 HydrophobicContact CZ-CD1 3.66Å; F458-F510 HydrophobicContact CZ-CE1 4.26Å; F458-F510 HydrophobicContact CZ-CG 4.02Å
459N85.8Confident87.4Confident120 Ų12075.2 Ų75.264%0.64238%0.377SS*.Hα-helixtrans-64.4-39.7175.8-69.1-22.1000112.1R455 N456 L461 D462R455-N459 PolarHBondContact O-N 3.22Å; R455-N459 PolarHBondContact O-ND2 3.48Å; N456-N459 PolarHBondContact O-N 3.31Å; N459-L461 VanDerWaalsContact C-N 3.26Å; N459-L461 PolarHBondContact O-N 2.88Å; N459-D462 PolarHBondContact O-N 2.97Å
460E85.4Confident87.3Confident167 Ų16780.7 Ų80.778%0.7840%0.401SS*.Hα-helixtrans-66.5-28.4176.7-74.9177.1-17500112.8N456N456-E460 WeakPolarHBondContact O-CB 2.98Å; N456-E460 WeakPolarHBondContact O-CG 3.33Å; N456-E460 PolarHBondContact O-N 2.94Å
461L81.9Confident87.4Confident100 Ų10083.7 Ų83.752%0.52442%0.415SS..THydrogen-bonded Turntrans-89.2-1178-67173.2000113.6T457 F458 N459 Y463T457-L461 HydrophobicContact CG2-CD1 4.26Å; T457-L461 VanDerWaalsContact O-CG 3.29Å; T457-L461 WeakPolarHBondContact O-CG 3.36Å; T457-L461 PolarHBondContact O-N 3.47Å; F458-L461 PolarHBondContact O-N 3.48Å; N459-L461 VanDerWaalsContact C-N 3.26Å; N459-L461 PolarHBondContact O-N 2.88Å; L461-Y463 PolarHBondContact O-N 3.2Å; L461-Y463 VanDerWaalsContact O-N 3.17Å
462D80.2Confident87.7Confident160 Ų16082.1 Ų82.186%0.85640%0.402SS*.THydrogen-bonded Turntrans47.238.3-170.3-162.230.1000112.3F458 N459F458-D462 PolarHBondContact O-N 2.82Å; N459-D462 PolarHBondContact O-N 2.97Å
463Y80.1Confident87.8Confident24 Ų2477 Ų779%0.09438%0.381CS..  trans-104.8123.1-170.9175.9-119000111.5F458 L461 P465 Y468 N507 F510F458-Y463 AromaticContact CD1-CD1 3.64Å; F458-Y463 HydrophobicContact CD1-CD1 3.64Å; F458-Y463 HydrophobicContact CD1-CE1 4.35Å; F458-Y463 AromaticContact CE1-CD1 3.89Å; F458-Y463 HydrophobicContact CE1-CD1 3.89Å; F458-Y463 HydrophobicContact CE1-CE1 4.15Å; F458-Y463 HydrophobicContact CG-CD1 4.36Å; F458-Y463 PolarHBondContact O-N 3.26Å; F458-Y463 VanDerWaalsContact O-N 3.1Å; L461-Y463 PolarHBondContact O-N 3.2Å; L461-Y463 VanDerWaalsContact O-N 3.17Å; Y463-P465 HydrophobicContact CD1-CG 4.16Å; Y463-P465 HydrophobicContact CE1-CB 4.11Å; Y463-P465 HydrophobicContact CE1-CG 3.68Å; Y463-P465 WeakPolarHBondContact OH-CA 3.44Å; Y463-Y468 HydrophobicContact CE2-CD2 4.06Å; Y463-Y468 AromaticContact CE2-CE2 3.81Å; Y463-Y468 HydrophobicContact CE2-CE2 3.81Å; Y463-N507 HydrophobicContact CD2-CB 4.32Å; Y463-N507 HydrophobicContact CE1-CB 4.47Å; Y463-N507 HydrophobicContact CE2-CB 3.45Å; Y463-N507 VanDerWaalsContact CE2-CB 3.45Å; Y463-N507 WeakPolarHBondContact OH-CA 3.24Å; Y463-N507 WeakPolarHBondContact OH-CB 3.31Å; Y463-N507 PolarHBondContact OH-O 3.24Å; Y463-F510 HydrophobicContact CE1-CB 3.99Å
464N81.9Confident87.9Confident91 Ų9177.1 Ų77.149%0.48738%0.384SS..  trans-106.1110.3169.5-177.76.8000110.6E466 E467N464-E466 PolarHBondContact O-N 3.03Å; N464-E466 VanDerWaalsContact O-N 3.12Å; N464-E466 PolarHBondContact OD1-N 3.47Å; N464-E466 VanDerWaalsContact OD1-N 3.1Å; N464-E467 WeakPolarHBondContact O-CB 3.38Å; N464-E467 PolarHBondContact O-N 3.22Å
465P78.5Confident88.1Confident20 Ų2080.1 Ų80.113%0.1340%0.397CS..G310 helixtrans-53.4-33.8176.9-2531.8000114.7F458 Y463 E467 Y468 Y511F458-P465 HydrophobicContact CE2-CG 4.36Å; Y463-P465 HydrophobicContact CD1-CG 4.16Å; Y463-P465 HydrophobicContact CE1-CB 4.11Å; Y463-P465 HydrophobicContact CE1-CG 3.68Å; Y463-P465 WeakPolarHBondContact OH-CA 3.44Å; P465-E467 PolarHBondContact O-N 3.24Å; P465-E467 VanDerWaalsContact O-N 3.17Å; P465-Y468 PolarHBondContact O-N 3.39Å; P465-Y511 WeakPolarHBondContact O-CB 3.38Å; P465-Y511 WeakPolarHBondContact O-CD2 3.27Å
466E86.9Confident88.4Confident98 Ų9873.5 Ų73.546%0.45837%0.372SS..G310 helixtrans-66.7-17.4-175.3-62-59.914800113.5N464 Y468 G469 K515N464-E466 PolarHBondContact O-N 3.03Å; N464-E466 VanDerWaalsContact O-N 3.12Å; N464-E466 PolarHBondContact OD1-N 3.47Å; N464-E466 VanDerWaalsContact OD1-N 3.1Å; E466-Y468 PolarHBondContact O-N 2.91Å; E466-G469 PolarHBondContact O-N 3.29Å; E466-K515 IonicContact OE1-NZ 3.74Å; E466-K515 PolarHBondContact OE1-NZ 2.9Å; E466-K515 IonicContact OE2-NZ 2.63Å; E466-K515 PolarHBondContact OE2-NZ 3.45Å
467E89.1Confident88.5Confident142 Ų14274.1 Ų74.166%0.66437%0.371SS*.G310 helixtrans-57.6-32.6177.5-172.7-178.6-178.400112.7N464 P465 G469N464-E467 WeakPolarHBondContact O-CB 3.38Å; N464-E467 PolarHBondContact O-N 3.22Å; P465-E467 PolarHBondContact O-N 3.24Å; P465-E467 VanDerWaalsContact O-N 3.17Å; E467-G469 VanDerWaalsContact C-N 3.32Å
468Y91.8Very high88.9Confident34 Ų3475.6 Ų75.613%0.13338%0.38CS..G310 helixtrans-88.30.3-178.7-69.5-86.1000113.5Y463 P465 E466 L471 V472 V504 N507 I508Y463-Y468 HydrophobicContact CE2-CD2 4.06Å; Y463-Y468 AromaticContact CE2-CE2 3.81Å; Y463-Y468 HydrophobicContact CE2-CE2 3.81Å; P465-Y468 PolarHBondContact O-N 3.39Å; E466-Y468 PolarHBondContact O-N 2.91Å; Y468-L471 PolarHBondContact O-N 3.06Å; Y468-V472 WeakPolarHBondContact O-CB 3.42Å; Y468-V472 WeakPolarHBondContact O-CG2 3.25Å; Y468-V472 PolarHBondContact O-N 3.43Å; Y468-V504 HydrophobicContact CE1-CG1 3.91Å; Y468-N507 HydrophobicContact CD2-CB 4.07Å; Y468-N507 HydrophobicContact CE2-CB 3.61Å; Y468-I508 HydrophobicContact CD1-CD1 4.04Å; Y468-I508 HydrophobicContact CD1-CG1 3.37Å; Y468-I508 HydrophobicContact CE1-CD1 4.4Å; Y468-I508 HydrophobicContact CE1-CG1 3.95Å; Y468-I508 HydrophobicContact CG-CG1 3.86Å
469G92.7Very high89.3Confident8 Ų874.4 Ų74.48%0.08238%0.375CS..Hα-helixtrans-65-46.8-168.900000114.5E466 E467 A473 Y511E466-G469 PolarHBondContact O-N 3.29Å; E467-G469 VanDerWaalsContact C-N 3.32Å; G469-A473 VanDerWaalsContact O-CB 3.29Å; G469-A473 WeakPolarHBondContact O-CB 2.95Å; G469-A473 PolarHBondContact O-N 2.96Å; G469-Y511 WeakPolarHBondContact CA-OH 3.48Å
470E92.4Very high89.6Confident157 Ų15769.5 Ų69.573%0.73435%0.351SS*.Hα-helixtrans-64.6-42.6176.6-67.2-170.8168.400111.8V472 A473 N474E470-V472 PolarHBondContact O-N 3.22Å; E470-A473 PolarHBondContact O-N 3.31Å; E470-N474 VanDerWaalsContact O-CB 3.24Å; E470-N474 WeakPolarHBondContact O-CB 3.41Å; E470-N474 PolarHBondContact O-N 3.28Å; E470-N474 PolarHBondContact O-ND2 3.39Å; E470-N474 VanDerWaalsContact O-ND2 3.16Å
471L93.6Very high89.9Confident88 Ų8866.7 Ų66.746%0.46134%0.341SS..Hα-helixtrans-59.3-49.9178.4-179.3156.6000110.8Y468 F475 I508Y468-L471 PolarHBondContact O-N 3.06Å; L471-F475 WeakPolarHBondContact O-CB 3.46Å; L471-F475 PolarHBondContact O-N 2.82Å; L471-I508 HydrophobicContact CD2-CD1 4.15Å
472V94.9Very high90.4Very high0 Ų066.4 Ų66.40%034%0.337CS..Hα-helixtrans-62.7-48.2179.1171.20000110.9Y468 E470 N474 F475 L476 L495 I508 Y511 L512 W537Y468-V472 WeakPolarHBondContact O-CB 3.42Å; Y468-V472 WeakPolarHBondContact O-CG2 3.25Å; Y468-V472 PolarHBondContact O-N 3.43Å; E470-V472 PolarHBondContact O-N 3.22Å; V472-N474 VanDerWaalsContact C-N 3.35Å; V472-N474 PolarHBondContact O-N 2.94Å; V472-F475 PolarHBondContact O-N 2.86Å; V472-L476 HydrophobicContact CG1-CD1 3.8Å; V472-L476 HydrophobicContact CG1-CG 4.44Å; V472-L476 WeakPolarHBondContact O-CB 3.29Å; V472-L476 WeakPolarHBondContact O-CG 3.33Å; V472-L476 PolarHBondContact O-N 3.49Å; V472-L495 HydrophobicContact CG1-CD2 4.14Å; V472-L495 HydrophobicContact CG2-CD2 4.34Å; V472-I508 HydrophobicContact CG2-CG2 3.76Å; V472-Y511 HydrophobicContact CB-CD1 3.98Å; V472-Y511 HydrophobicContact CB-CE1 3.72Å; V472-Y511 HydrophobicContact CG1-CD1 4.11Å; V472-Y511 HydrophobicContact CG1-CE1 3.77Å; V472-Y511 HydrophobicContact CG2-CD1 3.66Å; V472-Y511 HydrophobicContact CG2-CE1 3.96Å; V472-L512 HydrophobicContact CG1-CD2 3.78Å; V472-L512 HydrophobicContact CG1-CG 4.47Å; V472-W537 HydrophobicContact CG1-CH2 4.25Å
473A93.2Very high90.9Very high17 Ų1759.8 Ų59.814%0.1430%0.301CS..Hα-helixtrans-61.8-44.1-178.600000111.4G469 E470 L476 K477G469-A473 VanDerWaalsContact O-CB 3.29Å; G469-A473 WeakPolarHBondContact O-CB 2.95Å; G469-A473 PolarHBondContact O-N 2.96Å; E470-A473 PolarHBondContact O-N 3.31Å; A473-L476 PolarHBondContact O-N 3.26Å; A473-K477 WeakPolarHBondContact O-CB 3.47Å; A473-K477 WeakPolarHBondContact O-CG 3.35Å; A473-K477 PolarHBondContact O-N 2.95Å
474N94.2Very high91.3Very high90 Ų9065.5 Ų65.548%0.48133%0.328SS..Hα-helixtrans-65.5-45.1178.6-71.3-24.6000111.7E470 V472 L476 K477 V478E470-N474 VanDerWaalsContact O-CB 3.24Å; E470-N474 WeakPolarHBondContact O-CB 3.41Å; E470-N474 PolarHBondContact O-N 3.28Å; E470-N474 PolarHBondContact O-ND2 3.39Å; E470-N474 VanDerWaalsContact O-ND2 3.16Å; V472-N474 VanDerWaalsContact C-N 3.35Å; V472-N474 PolarHBondContact O-N 2.94Å; N474-L476 PolarHBondContact O-N 3.33Å; N474-K477 PolarHBondContact O-N 3.12Å; N474-V478 WeakPolarHBondContact O-CG2 3.43Å; N474-V478 PolarHBondContact O-N 2.9Å
475F95.6Very high91.5Very high78 Ų7868.1 Ų68.134%0.34234%0.341SS..Hα-helixtrans-57.8-48.3176.9-171.9-79.7000111.5L471 V472 K477 V478 E479 K494 L495L471-F475 WeakPolarHBondContact O-CB 3.46Å; L471-F475 PolarHBondContact O-N 2.82Å; V472-F475 PolarHBondContact O-N 2.86Å; F475-K477 PolarHBondContact O-N 3.31Å; F475-V478 PolarHBondContact O-N 3.5Å; F475-E479 HydrophobicContact CE1-CB 4.47Å; F475-E479 WeakPolarHBondContact CE1-OE2 3.41Å; F475-E479 WeakPolarHBondContact O-CB 2.99Å; F475-E479 PolarHBondContact O-N 3.37Å; F475-K494 HydrophobicContact CE1-CB 4.44Å; F475-K494 HydrophobicContact CZ-CB 4.21Å; F475-L495 HydrophobicContact CB-CD1 4.1Å; F475-L495 HydrophobicContact CD1-CB 3.81Å; F475-L495 HydrophobicContact CD1-CD1 3.79Å; F475-L495 HydrophobicContact CD1-CG 4.35Å; F475-L495 HydrophobicContact CD2-CD1 4.15Å; F475-L495 VanDerWaalsContact CE1-CA 3.45Å; F475-L495 HydrophobicContact CE1-CB 3.73Å; F475-L495 HydrophobicContact CE1-CD1 4.27Å; F475-L495 VanDerWaalsContact CE1-N 3.29Å; F475-L495 HydrophobicContact CG-CD1 3.73Å; F475-L495 HydrophobicContact CZ-CB 4.44Å
476L94.6Very high91.8Very high1 Ų173.4 Ų73.41%0.00536%0.364CS..Hα-helixtrans-69.4-33-178.1-66.1175.5000112.8F431 V472 A473 N474 A480 S493 W537 P539F431-L476 HydrophobicContact CE1-CD1 4.13Å; F431-L476 HydrophobicContact CE1-CD2 4.05Å; F431-L476 HydrophobicContact CZ-CD1 4.43Å; V472-L476 HydrophobicContact CG1-CD1 3.8Å; V472-L476 HydrophobicContact CG1-CG 4.44Å; V472-L476 WeakPolarHBondContact O-CB 3.29Å; V472-L476 WeakPolarHBondContact O-CG 3.33Å; V472-L476 PolarHBondContact O-N 3.49Å; A473-L476 PolarHBondContact O-N 3.26Å; N474-L476 PolarHBondContact O-N 3.33Å; L476-A480 WeakPolarHBondContact O-CB 3.41Å; L476-A480 PolarHBondContact O-N 3.14Å; L476-S493 WeakPolarHBondContact CD2-OG 3.3Å; L476-W537 HydrophobicContact CD1-CH2 3.99Å; L476-P539 HydrophobicContact CB-CB 3.86Å; L476-P539 HydrophobicContact CB-CG 4.08Å; L476-P539 HydrophobicContact CD1-CB 3.78Å; L476-P539 HydrophobicContact CD1-CG 3.79Å; L476-P539 HydrophobicContact CG-CB 4.48Å
477K93.5Very high91.6Very high83 Ų8374.1 Ų74.136%0.36138%0.379SS..Hα-helixtrans-64.6-45.8172.5-75.6170.7-173.8174.80111.7A473 N474 F475 A480 L481 P539 L540A473-K477 WeakPolarHBondContact O-CB 3.47Å; A473-K477 WeakPolarHBondContact O-CG 3.35Å; A473-K477 PolarHBondContact O-N 2.95Å; N474-K477 PolarHBondContact O-N 3.12Å; F475-K477 PolarHBondContact O-N 3.31Å; K477-A480 PolarHBondContact O-N 3.15Å; K477-L481 WeakPolarHBondContact O-CG 3.17Å; K477-L481 PolarHBondContact O-N 2.85Å; K477-L481 VanDerWaalsContact O-N 3.09Å; K477-P539 WeakPolarHBondContact CE-O 3.42Å; K477-L540 HydrophobicContact CG-CD2 4.11Å
478V94.2Very high91.3Very high80 Ų8071.6 Ų71.649%0.48537%0.369SS..Hα-helixtrans-62.7-48.5177.5172.50000110.4N474 F475 A480 L481 E482N474-V478 WeakPolarHBondContact O-CG2 3.43Å; N474-V478 PolarHBondContact O-N 2.9Å; F475-V478 PolarHBondContact O-N 3.5Å; V478-A480 VanDerWaalsContact C-N 3.3Å; V478-A480 PolarHBondContact O-N 3.08Å; V478-L481 PolarHBondContact O-N 3.3Å; V478-L481 VanDerWaalsContact O-N 3.16Å; V478-E482 PolarHBondContact O-N 2.9Å
479E94.5Very high91Very high5 Ų573.8 Ų73.82%0.02339%0.387CS..Hα-helixtrans-62.8-36.7179.3-171.2178.4-169.700112.2F475 E482 K483 S493 K494F475-E479 HydrophobicContact CE1-CB 4.47Å; F475-E479 WeakPolarHBondContact CE1-OE2 3.41Å; F475-E479 WeakPolarHBondContact O-CB 2.99Å; F475-E479 PolarHBondContact O-N 3.37Å; E479-E482 PolarHBondContact O-N 3.23Å; E479-K483 HydrophobicContact CG-CD 3.96Å; E479-K483 WeakPolarHBondContact O-CB 3.43Å; E479-K483 WeakPolarHBondContact O-CG 3.05Å; E479-K483 PolarHBondContact O-N 3.41Å; E479-K483 WeakPolarHBondContact OE1-CE 3.47Å; E479-K483 IonicContact OE1-NZ 2.78Å; E479-K483 PolarHBondContact OE1-NZ 3.12Å; E479-S493 WeakPolarHBondContact OE1-CA 3.25Å; E479-S493 WeakPolarHBondContact OE2-CA 3.45Å; E479-S493 VanDerWaalsContact OE2-CB 3.3Å; E479-S493 WeakPolarHBondContact OE2-CB 3.49Å; E479-S493 PolarHBondContact OE2-OG 2.98Å; E479-K494 PolarHBondContact OE1-N 2.86Å; E479-K494 PolarHBondContact OE2-N 2.82Å
480A92.1Very high90.8Very high17 Ų1774.5 Ų74.514%0.1439%0.389CS..Hα-helixtrans-63.3-42.2174.700000112.3L476 K477 V478 K483 Q484 L490 L540L476-A480 WeakPolarHBondContact O-CB 3.41Å; L476-A480 PolarHBondContact O-N 3.14Å; K477-A480 PolarHBondContact O-N 3.15Å; V478-A480 VanDerWaalsContact C-N 3.3Å; V478-A480 PolarHBondContact O-N 3.08Å; A480-K483 PolarHBondContact O-N 3.5Å; A480-Q484 VanDerWaalsContact O-CB 3.25Å; A480-Q484 WeakPolarHBondContact O-CB 3.2Å; A480-Q484 PolarHBondContact O-N 3.45Å; A480-L490 HydrophobicContact CB-CD1 3.57Å; A480-L540 HydrophobicContact CB-CD1 4.14Å; A480-L540 HydrophobicContact CB-CD2 3.59Å
481L92.1Very high91Very high107 Ų10767.3 Ų67.356%0.5636%0.355SS*.Hα-helixtrans-64.1-44.5176.9-70.8168.9000111.5K477 V478 Q484 I485K477-L481 WeakPolarHBondContact O-CG 3.17Å; K477-L481 PolarHBondContact O-N 2.85Å; K477-L481 VanDerWaalsContact O-N 3.09Å; V478-L481 PolarHBondContact O-N 3.3Å; V478-L481 VanDerWaalsContact O-N 3.16Å; L481-Q484 PolarHBondContact O-N 2.62Å; L481-I485 WeakPolarHBondContact O-CG1 3.47Å; L481-I485 PolarHBondContact O-N 3.21Å
482E92.7Very high91.1Very high95 Ų9566.5 Ų66.544%0.44436%0.355SS..Hα-helixtrans-59.8-49.7175.4-69.8178.3175.900111.5V478 E479 Q484 I485 E486V478-E482 PolarHBondContact O-N 2.9Å; E479-E482 PolarHBondContact O-N 3.23Å; E482-Q484 VanDerWaalsContact C-N 3.32Å; E482-Q484 PolarHBondContact O-N 3.33Å; E482-I485 WeakPolarHBondContact O-CB 3.27Å; E482-I485 PolarHBondContact O-N 3.5Å; E482-E486 PolarHBondContact O-N 2.86Å; E482-E486 VanDerWaalsContact O-N 3.16Å
483K91.5Very high91.2Very high20 Ų2066.6 Ų66.69%0.08736%0.356CS..Hα-helixtrans-66.2-32.8179.7-77.6171.6160.61650113E479 A480 I485 E486 S487 M488 P489 L490 P492E479-K483 HydrophobicContact CG-CD 3.96Å; E479-K483 WeakPolarHBondContact O-CB 3.43Å; E479-K483 WeakPolarHBondContact O-CG 3.05Å; E479-K483 PolarHBondContact O-N 3.41Å; E479-K483 WeakPolarHBondContact OE1-CE 3.47Å; E479-K483 IonicContact OE1-NZ 2.78Å; E479-K483 PolarHBondContact OE1-NZ 3.12Å; A480-K483 PolarHBondContact O-N 3.5Å; K483-I485 VanDerWaalsContact C-N 3.35Å; K483-E486 CarbonylContact O-C 3.43Å; K483-E486 PolarHBondContact O-N 3.39Å; K483-S487 PolarHBondContact O-N 3.24Å; K483-M488 HydrophobicContact CB-CB 4.08Å; K483-M488 HydrophobicContact CG-CB 4.08Å; K483-M488 HydrophobicContact CG-CE 4.22Å; K483-M488 PolarHBondContact O-N 2.95Å; K483-P489 VanDerWaalsContact CD-O 3.28Å; K483-P489 WeakPolarHBondContact CD-O 3.43Å; K483-L490 PolarHBondContact NZ-O 3.38Å; K483-P492 PolarHBondContact NZ-O 2.93Å
484Q88.2Confident91.4Very high144 Ų14470.6 Ų70.667%0.67337%0.37SS*.Hα-helixtrans-64.1-40.8175.1-1741783.200111.4A480 L481 E482 E486 S487A480-Q484 VanDerWaalsContact O-CB 3.25Å; A480-Q484 WeakPolarHBondContact O-CB 3.2Å; A480-Q484 PolarHBondContact O-N 3.45Å; L481-Q484 PolarHBondContact O-N 2.62Å; E482-Q484 VanDerWaalsContact C-N 3.32Å; E482-Q484 PolarHBondContact O-N 3.33Å; Q484-E486 VanDerWaalsContact C-N 3.29Å; Q484-E486 PolarHBondContact O-N 3.47Å; Q484-S487 PolarHBondContact O-N 3.5Å
485I85.5Confident91.5Very high146 Ų14666.4 Ų66.475%0.74935%0.348SS*.Hα-helixtrans-61.9-40.7174.8-66.1164.4000110.4L481 E482 K483 S487L481-I485 WeakPolarHBondContact O-CG1 3.47Å; L481-I485 PolarHBondContact O-N 3.21Å; E482-I485 WeakPolarHBondContact O-CB 3.27Å; E482-I485 PolarHBondContact O-N 3.5Å; K483-I485 VanDerWaalsContact C-N 3.35Å; I485-S487 VanDerWaalsContact C-N 3.3Å; I485-S487 PolarHBondContact O-N 3.43Å
486E83.8Confident91.5Very high131 Ų13162.9 Ų62.961%0.61233%0.333SS*.THydrogen-bonded Turntrans-84.61.7180-63.7-176.3-148.900114E482 K483 Q484 M488E482-E486 PolarHBondContact O-N 2.86Å; E482-E486 VanDerWaalsContact O-N 3.16Å; K483-E486 CarbonylContact O-C 3.43Å; K483-E486 PolarHBondContact O-N 3.39Å; Q484-E486 VanDerWaalsContact C-N 3.29Å; Q484-E486 PolarHBondContact O-N 3.47Å; E486-M488 VanDerWaalsContact C-N 3.25Å; E486-M488 HydrophobicContact CB-CE 3.61Å; E486-M488 HydrophobicContact CB-CG 4.26Å; E486-M488 HydrophobicContact CG-CE 4.18Å; E486-M488 PolarHBondContact O-N 3.15Å; E486-M488 WeakPolarHBondContact OE2-CE 3.26Å
487S82.7Confident91.6Very high113 Ų11368.6 Ų68.679%0.7936%0.358SS*.THydrogen-bonded Turntrans53.837.9-175.2-57.80000114K483 Q484 I485K483-S487 PolarHBondContact O-N 3.24Å; Q484-S487 PolarHBondContact O-N 3.5Å; I485-S487 VanDerWaalsContact C-N 3.3Å; I485-S487 PolarHBondContact O-N 3.43Å
488M83.4Confident91.6Very high89 Ų8973 Ų7344%0.43838%0.38SS..  trans-99.9152.7178.7-77.4-165.2-7100112.7K483 E486K483-M488 HydrophobicContact CB-CB 4.08Å; K483-M488 HydrophobicContact CG-CB 4.08Å; K483-M488 HydrophobicContact CG-CE 4.22Å; K483-M488 PolarHBondContact O-N 2.95Å; E486-M488 VanDerWaalsContact C-N 3.25Å; E486-M488 HydrophobicContact CB-CE 3.61Å; E486-M488 HydrophobicContact CB-CG 4.26Å; E486-M488 HydrophobicContact CG-CE 4.18Å; E486-M488 PolarHBondContact O-N 3.15Å; E486-M488 WeakPolarHBondContact OE2-CE 3.26Å
489P85.7Confident91.6Very high80 Ų8071.3 Ų71.352%0.51937%0.367SS..  trans-64.6151.5172.728.9-35.4000111.4D392 K483 Y491D392-P489 WeakPolarHBondContact OD2-CB 3.49Å; K483-P489 VanDerWaalsContact CD-O 3.28Å; K483-P489 WeakPolarHBondContact CD-O 3.43Å; P489-Y491 VanDerWaalsContact C-N 3.33Å; P489-Y491 PolarHBondContact O-N 2.98Å
490L89.3Confident91.4Very high24 Ų2477.4 Ų77.413%0.12641%0.405CS..SBendtrans-64.4-39-176.4179.960.7000111.5D392 A480 K483 L540D392-L490 HydrophobicContact CB-CB 4.12Å; D392-L490 PolarHBondContact OD2-N 3.41Å; A480-L490 HydrophobicContact CB-CD1 3.57Å; K483-L490 PolarHBondContact NZ-O 3.38Å; L490-L540 HydrophobicContact CD2-CD1 4.02Å
491Y95.4Very high91.5Very high6 Ų682.7 Ų82.72%0.02443%0.427CS..  trans-110.6152.5178.5-62.2-69.8000111.8D392 R430 F431 P489 Y516D392-Y491 HydrophobicContact CB-CD2 4.3Å; D392-Y491 WeakPolarHBondContact O-CE2 3.39Å; R430-Y491 HydrophobicContact CB-CD1 3.54Å; R430-Y491 HydrophobicContact CB-CE1 3.78Å; R430-Y491 HydrophobicContact CB-CG 4.01Å; R430-Y491 HydrophobicContact CG-CD1 3.69Å; R430-Y491 HydrophobicContact CG-CD2 3.87Å; R430-Y491 HydrophobicContact CG-CE1 3.97Å; R430-Y491 HydrophobicContact CG-CE2 4.15Å; R430-Y491 HydrophobicContact CG-CG 3.63Å; R430-Y491 WeakPolarHBondContact O-CD1 3.48Å; F431-Y491 AromaticContact CE1-CE1 3.81Å; F431-Y491 HydrophobicContact CE1-CE1 3.81Å; F431-Y491 AromaticContact CZ-CE1 3.78Å; F431-Y491 HydrophobicContact CZ-CE1 3.78Å; P489-Y491 VanDerWaalsContact C-N 3.33Å; P489-Y491 PolarHBondContact O-N 2.98Å; Y491-Y516 PolarHBondContact OH-OH 3.22Å; Y491-Y516 VanDerWaalsContact OH-OH 3.14Å
492P96.7Very high91.5Very high71 Ų7180.1 Ų80.146%0.46142%0.418SS..SBendcis-69.1145.5-0.629.4-36.4000113.3H429 P432 K483H429-P492 VanDerWaalsContact O-CB 3.28Å; H429-P492 WeakPolarHBondContact O-CB 3.27Å; P432-P492 HydrophobicContact CG-CB 3.96Å; K483-P492 PolarHBondContact NZ-O 2.93Å
493S96.2Very high91.4Very high2 Ų279.7 Ų79.71%0.01442%0.419CS..  trans-85149.6176.6173.30000112R430 Y433 L476 E479 L495R430-S493 WeakPolarHBondContact O-CB 3.29Å; R430-S493 PolarHBondContact O-N 2.84Å; Y433-S493 WeakPolarHBondContact CD2-O 3.32Å; L476-S493 WeakPolarHBondContact CD2-OG 3.3Å; E479-S493 WeakPolarHBondContact OE1-CA 3.25Å; E479-S493 WeakPolarHBondContact OE2-CA 3.45Å; E479-S493 VanDerWaalsContact OE2-CB 3.3Å; E479-S493 WeakPolarHBondContact OE2-CB 3.49Å; E479-S493 PolarHBondContact OE2-OG 2.98Å; S493-L495 VanDerWaalsContact C-N 3.28Å; S493-L495 WeakPolarHBondContact OG-CB 3.28Å; S493-L495 PolarHBondContact OG-N 2.95Å
494K96.8Very high91.5Very high101 Ų10180 Ų8044%0.43942%0.423SS..  trans-80.5-2.7170.3-64.9174.1-171.3164.60113.6F475 E479 G496 K497F475-K494 HydrophobicContact CE1-CB 4.44Å; F475-K494 HydrophobicContact CZ-CB 4.21Å; E479-K494 PolarHBondContact OE1-N 2.86Å; E479-K494 PolarHBondContact OE2-N 2.82Å; K494-G496 PolarHBondContact O-N 3.34Å; K494-K497 WeakPolarHBondContact O-CB 3.42Å; K494-K497 PolarHBondContact O-N 3.49Å
495L96.6Very high91.8Very high2 Ų274.5 Ų74.51%0.0140%0.397CS..THydrogen-bonded Turntrans-54.7128.7-179.6-179.665.2000110.6F431 Y433 L434 V472 F475 S493 I508 L512F431-L495 HydrophobicContact CD1-CB 4.42Å; F431-L495 HydrophobicContact CD1-CD2 4.16Å; F431-L495 HydrophobicContact CE1-CD2 4.28Å; Y433-L495 WeakPolarHBondContact CB-O 3.24Å; L434-L495 HydrophobicContact CD1-CD2 4.05Å; L434-L495 HydrophobicContact CD1-CG 4.15Å; V472-L495 HydrophobicContact CG1-CD2 4.14Å; V472-L495 HydrophobicContact CG2-CD2 4.34Å; F475-L495 HydrophobicContact CB-CD1 4.1Å; F475-L495 HydrophobicContact CD1-CB 3.81Å; F475-L495 HydrophobicContact CD1-CD1 3.79Å; F475-L495 HydrophobicContact CD1-CG 4.35Å; F475-L495 HydrophobicContact CD2-CD1 4.15Å; F475-L495 VanDerWaalsContact CE1-CA 3.45Å; F475-L495 HydrophobicContact CE1-CB 3.73Å; F475-L495 HydrophobicContact CE1-CD1 4.27Å; F475-L495 VanDerWaalsContact CE1-N 3.29Å; F475-L495 HydrophobicContact CG-CD1 3.73Å; F475-L495 HydrophobicContact CZ-CB 4.44Å; S493-L495 VanDerWaalsContact C-N 3.28Å; S493-L495 WeakPolarHBondContact OG-CB 3.28Å; S493-L495 PolarHBondContact OG-N 2.95Å; L495-I508 HydrophobicContact CD2-CG2 3.99Å; L495-I508 HydrophobicContact CG-CG2 4.33Å; L495-L512 HydrophobicContact CD2-CD1 4.1Å
496G96.1Very high92.2Very high3 Ų369.9 Ų69.93%0.03137%0.37CS..THydrogen-bonded Turntrans93.9-16.1-176.200000115.1K494 E498 I499 Q505K494-G496 PolarHBondContact O-N 3.34Å; G496-E498 VanDerWaalsContact C-N 3.3Å; G496-E498 PolarHBondContact O-N 3Å; G496-I499 PolarHBondContact O-N 3.31Å; G496-Q505 PolarHBondContact O-NE2 2.96Å
497K96.2Very high92.6Very high121 Ų12164.8 Ų64.853%0.52635%0.347SS..THydrogen-bonded Turntrans-60.1-37.4-175.8-175.2-179177.8-1740113.7Y433 K494Y433-K497 HydrophobicContact CD1-CB 3.9Å; Y433-K497 HydrophobicContact CD1-CG 3.96Å; Y433-K497 HydrophobicContact CD2-CB 3.88Å; Y433-K497 HydrophobicContact CE1-CB 4.14Å; Y433-K497 HydrophobicContact CE1-CD 4.09Å; Y433-K497 HydrophobicContact CE1-CG 3.79Å; Y433-K497 HydrophobicContact CE2-CB 4.11Å; Y433-K497 HydrophobicContact CE2-CD 4.21Å; Y433-K497 HydrophobicContact CE2-CG 4.35Å; Y433-K497 HydrophobicContact CG-CB 3.76Å; Y433-K497 HydrophobicContact CG-CG 4.32Å; K494-K497 WeakPolarHBondContact O-CB 3.42Å; K494-K497 PolarHBondContact O-N 3.49Å
498E94.1Very high93.3Very high177 Ų17759.4 Ų59.483%0.82731%0.309SS*.THydrogen-bonded Turntrans-98.60-176.5-62.6-177.4175.300112.9G496 T500G496-E498 VanDerWaalsContact C-N 3.3Å; G496-E498 PolarHBondContact O-N 3Å; E498-T500 PolarHBondContact O-N 3.46Å
499I93.9Very high93.9Very high43 Ų4355.2 Ų55.222%0.22129%0.289CS..  trans-86.6115.1-178.2-54.3-175.9000108.4G496 V504 Q505 I508G496-I499 PolarHBondContact O-N 3.31Å; I499-V504 HydrophobicContact CD1-CG1 4.29Å; I499-V504 HydrophobicContact CG2-CB 3.85Å; I499-V504 HydrophobicContact CG2-CG1 3.71Å; I499-Q505 HydrophobicContact CB-CG 3.75Å; I499-Q505 HydrophobicContact CG2-CG 3.59Å; I499-Q505 PolarHBondContact O-NE2 2.93Å; I499-I508 HydrophobicContact CD1-CD1 3.27Å
500T91.4Very high94.4Very high134 Ų13452.1 Ų52.182%0.82227%0.267SS*.  trans-87.5-23.7-179.850.60000113.5E498E498-T500 PolarHBondContact O-N 3.46Å
501E93.5Very high94.6Very high127 Ų12751.5 Ų51.559%0.59326%0.263SS*.  trans-83.7114.9-177.5-68.2164-165.800110D503 V504 Q505E501-D503 VanDerWaalsContact C-N 3.3Å; E501-D503 PolarHBondContact O-N 3.43Å; E501-V504 HydrophobicContact CB-CB 4.05Å; E501-V504 HydrophobicContact CB-CG2 3.84Å; E501-V504 PolarHBondContact O-N 2.89Å; E501-V504 WeakPolarHBondContact OE2-CG2 3.46Å; E501-Q505 PolarHBondContact O-N 3.13Å; E501-Q505 VanDerWaalsContact O-N 3.09Å
502S92.1Very high94.7Very high53 Ų5351.2 Ų51.237%0.37126%0.262SS..Hα-helixtrans-61.3-38.2-177.952.70000112.4V504 Q505 R506S502-V504 PolarHBondContact O-N 3.25Å; S502-Q505 PolarHBondContact O-N 3.47Å; S502-R506 WeakPolarHBondContact O-CB 3.43Å; S502-R506 PolarHBondContact O-N 2.74Å
503D91Very high94.7Very high86 Ų8647.9 Ų47.946%0.4624%0.24SC..Hα-helixtrans-63.4-40.4177.4-68.4-37.5000111.8E501 R506 N507E501-D503 VanDerWaalsContact C-N 3.3Å; E501-D503 PolarHBondContact O-N 3.43Å; D503-R506 PolarHBondContact O-N 3.26Å; D503-R506 IonicContact OD1-CZ 2.71Å; D503-R506 IonicContact OD1-NH1 3.09Å; D503-R506 PolarHBondContact OD1-NH1 3.32Å; D503-R506 IonicContact OD1-NH2 2.73Å; D503-R506 PolarHBondContact OD1-NH2 2.86Å; D503-N507 VanDerWaalsContact O-CB 3.31Å; D503-N507 WeakPolarHBondContact O-CB 3.43Å; D503-N507 PolarHBondContact O-N 3.43Å; D503-N507 PolarHBondContact O-ND2 2.86Å; D503-N507 PolarHBondContact O-OD1 3.41Å
504V92.7Very high94.6Very high28 Ų2850.2 Ų50.217%0.1726%0.256CS..Hα-helixtrans-66.6-44.1176.3176.20000111.2Y468 I499 E501 S502 R506 N507 I508Y468-V504 HydrophobicContact CE1-CG1 3.91Å; I499-V504 HydrophobicContact CD1-CG1 4.29Å; I499-V504 HydrophobicContact CG2-CB 3.85Å; I499-V504 HydrophobicContact CG2-CG1 3.71Å; E501-V504 HydrophobicContact CB-CB 4.05Å; E501-V504 HydrophobicContact CB-CG2 3.84Å; E501-V504 PolarHBondContact O-N 2.89Å; E501-V504 WeakPolarHBondContact OE2-CG2 3.46Å; S502-V504 PolarHBondContact O-N 3.25Å; V504-R506 VanDerWaalsContact C-N 3.32Å; V504-R506 PolarHBondContact O-N 3.48Å; V504-N507 PolarHBondContact O-N 2.93Å; V504-I508 HydrophobicContact CG1-CD1 3.84Å; V504-I508 HydrophobicContact CG1-CG1 4.45Å; V504-I508 VanDerWaalsContact O-CG1 3.3Å; V504-I508 WeakPolarHBondContact O-CG1 3.46Å; V504-I508 PolarHBondContact O-N 2.89Å
505Q94.4Very high94.5Very high28 Ų2847.4 Ų47.413%0.13124%0.244CC..Hα-helixtrans-58.6-45.2174.5-71.6-173.2-32.700111.7L434 G496 I499 E501 S502 L509L434-Q505 HydrophobicContact CD2-CB 4.13Å; L434-Q505 HydrophobicContact CD2-CG 4.3Å; G496-Q505 PolarHBondContact O-NE2 2.96Å; I499-Q505 HydrophobicContact CB-CG 3.75Å; I499-Q505 HydrophobicContact CG2-CG 3.59Å; I499-Q505 PolarHBondContact O-NE2 2.93Å; E501-Q505 PolarHBondContact O-N 3.13Å; E501-Q505 VanDerWaalsContact O-N 3.09Å; S502-Q505 PolarHBondContact O-N 3.47Å; Q505-L509 WeakPolarHBondContact O-CB 3.3Å; Q505-L509 PolarHBondContact O-N 2.95Å
506R94Very high94.6Very high49 Ų4947.3 Ų47.319%0.18524%0.244CC..Hα-helixtrans-61.6-45.7177.9-177.6-178.869.3-132.6-4.3111.3S502 D503 V504 L509 F510S502-R506 WeakPolarHBondContact O-CB 3.43Å; S502-R506 PolarHBondContact O-N 2.74Å; D503-R506 PolarHBondContact O-N 3.26Å; D503-R506 IonicContact OD1-CZ 2.71Å; D503-R506 IonicContact OD1-NH1 3.09Å; D503-R506 PolarHBondContact OD1-NH1 3.32Å; D503-R506 IonicContact OD1-NH2 2.73Å; D503-R506 PolarHBondContact OD1-NH2 2.86Å; V504-R506 VanDerWaalsContact C-N 3.32Å; V504-R506 PolarHBondContact O-N 3.48Å; R506-L509 WeakPolarHBondContact O-CB 3.47Å; R506-L509 PolarHBondContact O-N 3.36Å; R506-F510 HydrophobicContact CG-CD2 3.79Å; R506-F510 HydrophobicContact CG-CE2 3.64Å; R506-F510 VanDerWaalsContact O-CD2 3.24Å; R506-F510 WeakPolarHBondContact O-CD2 3.39Å; R506-F510 PolarHBondContact O-N 2.76Å
507N93.6Very high94.6Very high24 Ų2447.9 Ų47.913%0.12825%0.245CC..Hα-helixtrans-63.2-49.4-179.3-73.1-3.4000111.2Y463 Y468 D503 V504 L509 F510 Y511Y463-N507 HydrophobicContact CD2-CB 4.32Å; Y463-N507 HydrophobicContact CE1-CB 4.47Å; Y463-N507 HydrophobicContact CE2-CB 3.45Å; Y463-N507 VanDerWaalsContact CE2-CB 3.45Å; Y463-N507 WeakPolarHBondContact OH-CA 3.24Å; Y463-N507 WeakPolarHBondContact OH-CB 3.31Å; Y463-N507 PolarHBondContact OH-O 3.24Å; Y468-N507 HydrophobicContact CD2-CB 4.07Å; Y468-N507 HydrophobicContact CE2-CB 3.61Å; D503-N507 VanDerWaalsContact O-CB 3.31Å; D503-N507 WeakPolarHBondContact O-CB 3.43Å; D503-N507 PolarHBondContact O-N 3.43Å; D503-N507 PolarHBondContact O-ND2 2.86Å; D503-N507 PolarHBondContact O-OD1 3.41Å; V504-N507 PolarHBondContact O-N 2.93Å; N507-L509 PolarHBondContact O-N 3.48Å; N507-F510 PolarHBondContact O-N 2.7Å; N507-Y511 PolarHBondContact O-N 2.93Å
508I96Very high94.6Very high0 Ų043.5 Ų43.50%023%0.229CC..Hα-helixtrans-55.2-41.6174.3-68.7170.6000111.5L434 Y468 L471 V472 L495 I499 V504 Y511 L512L434-I508 HydrophobicContact CD1-CB 4.43Å; L434-I508 HydrophobicContact CD1-CG2 3.57Å; L434-I508 HydrophobicContact CD2-CB 4.42Å; L434-I508 HydrophobicContact CD2-CG2 4.19Å; Y468-I508 HydrophobicContact CD1-CD1 4.04Å; Y468-I508 HydrophobicContact CD1-CG1 3.37Å; Y468-I508 HydrophobicContact CE1-CD1 4.4Å; Y468-I508 HydrophobicContact CE1-CG1 3.95Å; Y468-I508 HydrophobicContact CG-CG1 3.86Å; L471-I508 HydrophobicContact CD2-CD1 4.15Å; V472-I508 HydrophobicContact CG2-CG2 3.76Å; L495-I508 HydrophobicContact CD2-CG2 3.99Å; L495-I508 HydrophobicContact CG-CG2 4.33Å; I499-I508 HydrophobicContact CD1-CD1 3.27Å; V504-I508 HydrophobicContact CG1-CD1 3.84Å; V504-I508 HydrophobicContact CG1-CG1 4.45Å; V504-I508 VanDerWaalsContact O-CG1 3.3Å; V504-I508 WeakPolarHBondContact O-CG1 3.46Å; V504-I508 PolarHBondContact O-N 2.89Å; I508-Y511 WeakPolarHBondContact O-CB 3.49Å; I508-Y511 PolarHBondContact O-N 3.2Å; I508-L512 HydrophobicContact CG2-CD1 4.35Å; I508-L512 WeakPolarHBondContact O-CG 3.41Å; I508-L512 PolarHBondContact O-N 3.01Å
509L96.6Very high94.6Very high1 Ų136.5 Ų36.51%0.00520%0.196CC..Hα-helixtrans-60-45.3174.8176.562.7000111.8L427 L434 M435 N439 Q505 R506 N507 Y511 L512 V513L427-L509 HydrophobicContact CD1-CD1 4.13Å; L434-L509 HydrophobicContact CB-CB 4.39Å; L434-L509 HydrophobicContact CB-CD1 4.47Å; M435-L509 HydrophobicContact SD-CD1 3.65Å; M435-L509 HydrophobicContact SD-CD2 3.83Å; M435-L509 HydrophobicContact SD-CG 4.41Å; N439-L509 HydrophobicContact CB-CD2 3.76Å; Q505-L509 WeakPolarHBondContact O-CB 3.3Å; Q505-L509 PolarHBondContact O-N 2.95Å; R506-L509 WeakPolarHBondContact O-CB 3.47Å; R506-L509 PolarHBondContact O-N 3.36Å; N507-L509 PolarHBondContact O-N 3.48Å; L509-Y511 VanDerWaalsContact C-N 3.35Å; L509-Y511 PolarHBondContact O-N 2.95Å; L509-L512 WeakPolarHBondContact O-CB 3.48Å; L509-L512 PolarHBondContact O-N 3.2Å; L509-L512 VanDerWaalsContact O-N 3.15Å; L509-V513 HydrophobicContact CD1-CG2 4.48Å; L509-V513 WeakPolarHBondContact O-CG2 3.37Å; L509-V513 PolarHBondContact O-N 2.9Å
510F95Very high94.7Very high14 Ų1434.5 Ų34.56%0.06119%0.186CC..Hα-helixtrans-67.1-32.2178.6-83.4-67.6000113.8I442 L443 Y446 F458 Y463 R506 N507 V513 S514I442-F510 HydrophobicContact CG2-CE2 3.94Å; I442-F510 HydrophobicContact CG2-CZ 3.92Å; L443-F510 HydrophobicContact CD1-CE1 4.25Å; Y446-F510 HydrophobicContact CD1-CD1 4.41Å; Y446-F510 AromaticContact CD1-CE1 3.67Å; Y446-F510 HydrophobicContact CD1-CE1 3.67Å; Y446-F510 HydrophobicContact CD2-CD1 4.41Å; Y446-F510 AromaticContact CD2-CE1 3.63Å; Y446-F510 HydrophobicContact CD2-CE1 3.63Å; Y446-F510 HydrophobicContact CD2-CZ 4.23Å; Y446-F510 HydrophobicContact CE1-CD1 4.46Å; Y446-F510 HydrophobicContact CE1-CE1 4.13Å; Y446-F510 HydrophobicContact CE2-CD1 4.44Å; Y446-F510 HydrophobicContact CE2-CE1 4.08Å; Y446-F510 HydrophobicContact CG-CD1 4.4Å; Y446-F510 AromaticContact CG-CE1 3.4Å; Y446-F510 HydrophobicContact CG-CE1 3.4Å; Y446-F510 HydrophobicContact CG-CZ 4.03Å; F458-F510 HydrophobicContact CE1-CB 4.32Å; F458-F510 AromaticContact CE1-CD1 3.98Å; F458-F510 HydrophobicContact CE1-CD1 3.98Å; F458-F510 HydrophobicContact CE1-CD2 4.47Å; F458-F510 HydrophobicContact CE1-CE1 4.44Å; F458-F510 HydrophobicContact CE1-CG 4Å; F458-F510 HydrophobicContact CZ-CB 4.21Å; F458-F510 AromaticContact CZ-CD1 3.66Å; F458-F510 HydrophobicContact CZ-CD1 3.66Å; F458-F510 HydrophobicContact CZ-CE1 4.26Å; F458-F510 HydrophobicContact CZ-CG 4.02Å; Y463-F510 HydrophobicContact CE1-CB 3.99Å; R506-F510 HydrophobicContact CG-CD2 3.79Å; R506-F510 HydrophobicContact CG-CE2 3.64Å; R506-F510 VanDerWaalsContact O-CD2 3.24Å; R506-F510 WeakPolarHBondContact O-CD2 3.39Å; R506-F510 PolarHBondContact O-N 2.76Å; N507-F510 PolarHBondContact O-N 2.7Å; F510-V513 PolarHBondContact O-N 2.89Å; F510-S514 PolarHBondContact O-N 3.32Å
511Y95.3Very high94.9Very high11 Ų1131.7 Ų31.74%0.04317%0.17CC..Hα-helixtrans-60.2-48.5167.4169.7-99.8000111.1P465 G469 V472 N507 I508 L509 V513 S514 K515 W537P465-Y511 WeakPolarHBondContact O-CB 3.38Å; P465-Y511 WeakPolarHBondContact O-CD2 3.27Å; G469-Y511 WeakPolarHBondContact CA-OH 3.48Å; V472-Y511 HydrophobicContact CB-CD1 3.98Å; V472-Y511 HydrophobicContact CB-CE1 3.72Å; V472-Y511 HydrophobicContact CG1-CD1 4.11Å; V472-Y511 HydrophobicContact CG1-CE1 3.77Å; V472-Y511 HydrophobicContact CG2-CD1 3.66Å; V472-Y511 HydrophobicContact CG2-CE1 3.96Å; N507-Y511 PolarHBondContact O-N 2.93Å; I508-Y511 WeakPolarHBondContact O-CB 3.49Å; I508-Y511 PolarHBondContact O-N 3.2Å; L509-Y511 VanDerWaalsContact C-N 3.35Å; L509-Y511 PolarHBondContact O-N 2.95Å; Y511-V513 VanDerWaalsContact C-N 3.3Å; Y511-V513 PolarHBondContact O-N 3.48Å; Y511-S514 PolarHBondContact O-N 3.2Å; Y511-S514 VanDerWaalsContact O-N 3.12Å; Y511-S514 PolarHBondContact O-OG 2.89Å; Y511-K515 HydrophobicContact CE1-CG 4.13Å; Y511-K515 HydrophobicContact CE2-CD 4.24Å; Y511-K515 HydrophobicContact CE2-CG 4.16Å; Y511-K515 PolarHBondContact O-N 3.37Å; Y511-K515 VanDerWaalsContact OH-CE 3.28Å; Y511-K515 WeakPolarHBondContact OH-CE 3.49Å; Y511-W537 HydrophobicContact CE1-CZ2 4.38Å
512L97.1Very high95Very high0 Ų026.4 Ų26.40%015%0.15CC..Hα-helixtrans-61.2-40.8177.4-70.2164.8000111.5F431 L434 V472 L495 I508 L509 S514 K515 Y516 W537F431-L512 HydrophobicContact CD1-CD1 3.94Å; F431-L512 HydrophobicContact CD2-CD1 3.76Å; F431-L512 HydrophobicContact CE1-CD1 4.04Å; F431-L512 HydrophobicContact CE1-CD2 4.18Å; F431-L512 HydrophobicContact CE2-CD1 3.87Å; F431-L512 HydrophobicContact CE2-CD2 3.92Å; F431-L512 HydrophobicContact CE2-CG 4.36Å; F431-L512 HydrophobicContact CG-CD1 3.79Å; F431-L512 HydrophobicContact CZ-CD1 4.01Å; F431-L512 HydrophobicContact CZ-CD2 3.66Å; F431-L512 HydrophobicContact CZ-CG 4.44Å; L434-L512 HydrophobicContact CD1-CD1 3.5Å; L434-L512 VanDerWaalsContact CD1-CD1 3.5Å; V472-L512 HydrophobicContact CG1-CD2 3.78Å; V472-L512 HydrophobicContact CG1-CG 4.47Å; L495-L512 HydrophobicContact CD2-CD1 4.1Å; I508-L512 HydrophobicContact CG2-CD1 4.35Å; I508-L512 WeakPolarHBondContact O-CG 3.41Å; I508-L512 PolarHBondContact O-N 3.01Å; L509-L512 WeakPolarHBondContact O-CB 3.48Å; L509-L512 PolarHBondContact O-N 3.2Å; L509-L512 VanDerWaalsContact O-N 3.15Å; L512-S514 VanDerWaalsContact C-N 3.31Å; L512-S514 PolarHBondContact O-N 3.32Å; L512-K515 PolarHBondContact O-N 2.89Å; L512-K515 VanDerWaalsContact O-N 3.09Å; L512-Y516 HydrophobicContact CB-CD2 4.44Å; L512-Y516 HydrophobicContact CD2-CE2 4.18Å; L512-Y516 VanDerWaalsContact O-CD2 3.25Å; L512-Y516 WeakPolarHBondContact O-CD2 3.31Å; L512-Y516 PolarHBondContact O-N 2.77Å; L512-W537 HydrophobicContact CD2-CH2 4.05Å; L512-W537 HydrophobicContact CD2-CZ3 4.17Å
513V96.4Very high95.2Very high2 Ų225.8 Ų25.81%0.01215%0.146CC..Hα-helixtrans-56.8-45.3174.1171.60000110.7L423 L427 L443 Y446 L509 F510 Y511 K515 Y516 F517L423-V513 HydrophobicContact CD2-CG1 4.37Å; L427-V513 HydrophobicContact CD1-CG2 3.74Å; L443-V513 HydrophobicContact CD1-CG1 4.36Å; L443-V513 HydrophobicContact CD1-CG2 3.68Å; L443-V513 HydrophobicContact CD2-CG2 4.25Å; Y446-V513 HydrophobicContact CE1-CG1 4.34Å; L509-V513 HydrophobicContact CD1-CG2 4.48Å; L509-V513 WeakPolarHBondContact O-CG2 3.37Å; L509-V513 PolarHBondContact O-N 2.9Å; F510-V513 PolarHBondContact O-N 2.89Å; Y511-V513 VanDerWaalsContact C-N 3.3Å; Y511-V513 PolarHBondContact O-N 3.48Å; V513-K515 PolarHBondContact O-N 3.24Å; V513-Y516 PolarHBondContact O-N 2.81Å; V513-F517 HydrophobicContact CG1-CB 4.36Å; V513-F517 VanDerWaalsContact O-CB 3.28Å; V513-F517 WeakPolarHBondContact O-CB 3.33Å; V513-F517 PolarHBondContact O-N 3.15Å
514S93.9Very high95.4Very high50 Ų5022 Ų2235%0.3513%0.125SC..Hα-helixtrans-63.7-23.1178.981.40000113.8F510 Y511 L512F510-S514 PolarHBondContact O-N 3.32Å; Y511-S514 PolarHBondContact O-N 3.2Å; Y511-S514 VanDerWaalsContact O-N 3.12Å; Y511-S514 PolarHBondContact O-OG 2.89Å; L512-S514 VanDerWaalsContact C-N 3.31Å; L512-S514 PolarHBondContact O-N 3.32Å
515K95.5Very high95.5Very high43 Ų4324.7 Ų24.719%0.18714%0.144CC..Hα-helixtrans-88.6-33.8176.7-59.8-47.3179.8-169.30114.2E466 Y511 L512 V513 W537E466-K515 IonicContact OE1-NZ 3.74Å; E466-K515 PolarHBondContact OE1-NZ 2.9Å; E466-K515 IonicContact OE2-NZ 2.63Å; E466-K515 PolarHBondContact OE2-NZ 3.45Å; Y511-K515 HydrophobicContact CE1-CG 4.13Å; Y511-K515 HydrophobicContact CE2-CD 4.24Å; Y511-K515 HydrophobicContact CE2-CG 4.16Å; Y511-K515 PolarHBondContact O-N 3.37Å; Y511-K515 VanDerWaalsContact OH-CE 3.28Å; Y511-K515 WeakPolarHBondContact OH-CE 3.49Å; L512-K515 PolarHBondContact O-N 2.89Å; L512-K515 VanDerWaalsContact O-N 3.09Å; V513-K515 PolarHBondContact O-N 3.24Å; K515-W537 HydrophobicContact CB-CB 3.93Å; K515-W537 HydrophobicContact CB-CD2 3.64Å; K515-W537 HydrophobicContact CB-CE3 3.91Å; K515-W537 HydrophobicContact CB-CG 3.65Å; K515-W537 HydrophobicContact CD-CG 4.28Å; K515-W537 HydrophobicContact CG-CD2 3.98Å; K515-W537 HydrophobicContact CG-CG 4.01Å
516Y97.5Very high95.6Very high0 Ų025.9 Ų25.90%015%0.153CC..Hα-helixtrans-90.2-19.1-179-79.2-74.7000113.9V395 I397 L426 L427 R430 F431 Y491 L512 V513 W537V395-Y516 HydrophobicContact CB-CD1 4.23Å; V395-Y516 HydrophobicContact CB-CE1 4.26Å; V395-Y516 VanDerWaalsContact O-CD1 3.3Å; V395-Y516 WeakPolarHBondContact O-CD1 3.34Å; I397-Y516 PolarHBondContact N-O 3.35Å; L426-Y516 HydrophobicContact CD2-CD1 4.07Å; L426-Y516 HydrophobicContact CD2-CE1 4.42Å; L427-Y516 HydrophobicContact CD2-CD2 4.1Å; R430-Y516 VanDerWaalsContact NH1-CE1 3.26Å; R430-Y516 PolarHBondContact NH1-OH 2.95Å; F431-Y516 HydrophobicContact CE2-CD2 4.47Å; F431-Y516 AromaticContact CE2-CE2 3.66Å; F431-Y516 HydrophobicContact CE2-CE2 3.66Å; F431-Y516 HydrophobicContact CZ-CE2 4.03Å; Y491-Y516 PolarHBondContact OH-OH 3.22Å; Y491-Y516 VanDerWaalsContact OH-OH 3.14Å; L512-Y516 HydrophobicContact CB-CD2 4.44Å; L512-Y516 HydrophobicContact CD2-CE2 4.18Å; L512-Y516 VanDerWaalsContact O-CD2 3.25Å; L512-Y516 WeakPolarHBondContact O-CD2 3.31Å; L512-Y516 PolarHBondContact O-N 2.77Å; V513-Y516 PolarHBondContact O-N 2.81Å; Y516-W537 AromaticContact CE2-CE3 4Å; Y516-W537 HydrophobicContact CE2-CE3 4Å; Y516-W537 AromaticContact CE2-CZ3 3.74Å; Y516-W537 HydrophobicContact CE2-CZ3 3.74Å; Y516-W537 AromaticContact CZ-CZ3 3.91Å
517F96.8Very high95.5Very high14 Ų1428.9 Ų28.96%0.06118%0.179CC..EExtended strand (participates in β ladder)trans-132.6132.4-168176.8-93000112.3I397 R399 L423 L447 V513 E519I397-F517 HydrophobicContact CG2-CD2 4.25Å; I397-F517 WeakPolarHBondContact O-CA 3.31Å; R399-F517 HydrophobicContact CB-CE2 3.51Å; R399-F517 HydrophobicContact CB-CZ 3.71Å; R399-F517 HydrophobicContact CG-CE2 4.42Å; R399-F517 HydrophobicContact CG-CZ 4.47Å; L423-F517 HydrophobicContact CD1-CB 4.09Å; L423-F517 HydrophobicContact CD2-CB 3.74Å; L423-F517 HydrophobicContact CD2-CD2 3.72Å; L423-F517 HydrophobicContact CD2-CE2 4.46Å; L423-F517 HydrophobicContact CD2-CG 3.81Å; L447-F517 HydrophobicContact CD2-CD1 4.46Å; L447-F517 HydrophobicContact CD2-CE1 4.12Å; L447-F517 HydrophobicContact CD2-CE2 4.43Å; L447-F517 HydrophobicContact CD2-CZ 4.09Å; V513-F517 HydrophobicContact CG1-CB 4.36Å; V513-F517 VanDerWaalsContact O-CB 3.28Å; V513-F517 WeakPolarHBondContact O-CB 3.33Å; V513-F517 PolarHBondContact O-N 3.15Å; F517-E519 HydrophobicContact CE1-CB 4.35Å
518V95.8Very high95.7Very high29 Ų2928.4 Ų28.418%0.17618%0.177CC..EExtended strand (participates in β ladder)trans-132137.7173.2173.20000109.5L396 I397 I398 R399 Y532L396-V518 HydrophobicContact CD1-CB 4.34Å; L396-V518 HydrophobicContact CD1-CG2 3.84Å; I397-V518 PolarHBondContact O-N 3.17Å; I398-V518 VanDerWaalsContact CA-O 3.31Å; I398-V518 WeakPolarHBondContact CA-O 3.48Å; R399-V518 PolarHBondContact N-O 2.88Å; V518-Y532 HydrophobicContact CG1-CD1 3.66Å; V518-Y532 HydrophobicContact CG1-CE1 4.23Å
519E95.1Very high95.7Very high30 Ų3030.6 Ų30.614%0.1420%0.195CC..EExtended strand (participates in β ladder)trans-96.4127.1170.8-179.6158.789.800111.1R399 A451 F517 Y532R399-E519 IonicContact CZ-OE2 4Å; R399-E519 VanDerWaalsContact CZ-OE2 3.22Å; R399-E519 IonicContact NE-OE2 3.82Å; R399-E519 PolarHBondContact NE-OE2 2.89Å; R399-E519 VanDerWaalsContact NE-OE2 3.07Å; R399-E519 IonicContact NH2-OE2 2.74Å; R399-E519 PolarHBondContact NH2-OE2 2.9Å; R399-E519 WeakPolarHBondContact O-CA 3.34Å; A451-E519 WeakPolarHBondContact CB-OE1 3.28Å; A451-E519 PolarHBondContact N-OE1 3.01Å; F517-E519 HydrophobicContact CE1-CB 4.35Å; E519-Y532 WeakPolarHBondContact O-CE1 3.47Å
520S96Very high95.6Very high2 Ų231.7 Ų31.71%0.01421%0.207CC..EExtended strand (participates in β ladder)trans-105.8136.6171.41760000110.2R399 R400 S401 Y532R399-S520 PolarHBondContact O-N 3.49Å; R400-S520 CarbonylContact C-O 3.55Å; R400-S520 WeakPolarHBondContact CA-O 3.34Å; S401-S520 PolarHBondContact N-O 2.67Å; S520-Y532 WeakPolarHBondContact OG-CD2 3.27Å
521P95.1Very high95.6Very high74 Ų7437.6 Ų37.648%0.48123%0.232SC..  trans-65.8148.4175.328.7-34.4000111.5S401 Y532S401-P521 VanDerWaalsContact OG-CA 3.29Å; S401-P521 WeakPolarHBondContact OG-CA 3.47Å; P521-Y532 VanDerWaalsContact CD-CE2 3.42Å; P521-Y532 WeakPolarHBondContact CD-OH 3.21Å; P521-Y532 HydrophobicContact CG-CE2 4.13Å
522G94.8Very high95.7Very high17 Ų1738.8 Ų38.818%0.17524%0.237CC..SBendtrans114.2176.5170.700000114.5R400 S401 D402R400-G522 WeakPolarHBondContact CB-O 3.38Å; S401-G522 PolarHBondContact OG-N 2.94Å; D402-G522 PolarHBondContact N-O 3.48Å; D402-G522 VanDerWaalsContact N-O 3.12Å
523S96.2Very high95.6Very high40 Ų4039.1 Ų39.128%0.2824%0.239SC..  trans-79.4173.9175.5700000112.3E404 C525 T526E404-S523 VanDerWaalsContact OE2-CB 3.32Å; E404-S523 WeakPolarHBondContact OE2-CB 3.26Å; S523-C525 VanDerWaalsContact C-N 3.28Å; S523-C525 PolarHBondContact O-N 3.44Å; S523-T526 PolarHBondContact N-OG1 3.31Å; S523-T526 VanDerWaalsContact N-OG1 3.13Å; S523-T526 WeakPolarHBondContact O-CB 3.46Å; S523-T526 PolarHBondContact O-N 3.41Å; S523-T526 PolarHBondContact O-OG1 2.88Å; S523-T526 PolarHBondContact OG-OG1 3.35Å
524H96.5Very high95.5Very high6 Ų643.5 Ų43.53%0.02826%0.259CS..THydrogen-bonded Turntrans-53.5-42.3-175.8-169.376.3000114W327 S328 A351 D403 E404 V405W327-H524 PolarHBondContact NE1-O 3.05Å; S328-H524 VanDerWaalsContact CB-NE2 3.29Å; S328-H524 WeakPolarHBondContact CB-NE2 3.29Å; S328-H524 PolarHBondContact OG-CE1 3.24Å; S328-H524 PolarHBondContact OG-NE2 2.84Å; A351-H524 PolarHBondContact O-CE1 3.35Å; D403-H524 VanDerWaalsContact CG-ND1 3.27Å; D403-H524 WeakPolarHBondContact OD1-CB 3.42Å; D403-H524 IonicContact OD1-CG 3.44Å; D403-H524 IonicContact OD1-ND1 3.07Å; D403-H524 PolarHBondContact OD1-ND1 2.91Å; D403-H524 IonicContact OD2-CE1 3.47Å; D403-H524 IonicContact OD2-CG 3.64Å; D403-H524 IonicContact OD2-ND1 3.39Å; D403-H524 PolarHBondContact OD2-ND1 3.24Å; E404-H524 WeakPolarHBondContact OE2-CB 3.34Å; E404-H524 PolarHBondContact OE2-N 2.92Å; V405-H524 HydrophobicContact CB-CB 3.84Å; V405-H524 HydrophobicContact CG2-CB 3.49Å; V405-H524 VanDerWaalsContact CG2-CB 3.49Å
525C95.1Very high95.6Very high85 Ų8544.7 Ų44.757%0.57427%0.266SS*.THydrogen-bonded Turntrans-95.25.2-176.7-660000113.6S523S523-C525 VanDerWaalsContact C-N 3.28Å; S523-C525 PolarHBondContact O-N 3.44Å
526T94.9Very high95.6Very high52 Ų5243.2 Ų43.232%0.31926%0.26SS..SBendtrans-68.3127175.5-63.70000109.5R400 S523 L528R400-T526 PolarHBondContact NH1-O 2.89Å; S523-T526 PolarHBondContact N-OG1 3.31Å; S523-T526 VanDerWaalsContact N-OG1 3.13Å; S523-T526 WeakPolarHBondContact O-CB 3.46Å; S523-T526 PolarHBondContact O-N 3.41Å; S523-T526 PolarHBondContact O-OG1 2.88Å; S523-T526 PolarHBondContact OG-OG1 3.35Å; T526-L528 PolarHBondContact O-N 2.91Å
527P93.1Very high95.5Very high113 Ų11345.4 Ų45.473%0.73427%0.269SS*.PPolyproline II helixtrans-53.2130.9179.4-27.635.2000112.1A529P527-A529 PolarHBondContact O-N 3.5Å
528L96.3Very high95.2Very high13 Ų1345.8 Ų45.87%0.06827%0.273CS..PPolyproline II helixtrans-64.1124.1179-172.568.5000109.6V272 I398 T526 Y532 L533V272-L528 HydrophobicContact CG2-CB 4.28Å; V272-L528 WeakPolarHBondContact CG2-O 3.36Å; I398-L528 HydrophobicContact CD1-CD2 4.06Å; I398-L528 HydrophobicContact CG2-CD1 4.03Å; T526-L528 PolarHBondContact O-N 2.91Å; L528-Y532 HydrophobicContact CD1-CD2 4.48Å; L528-Y532 HydrophobicContact CD1-CG 4.41Å; L528-L533 HydrophobicContact CD2-CB 4.29Å
529A96.1Very high94.7Very high47 Ų4744.8 Ų44.839%0.38827%0.267SS..PPolyproline II helixtrans-69.8136.3173.300000109.9P527 K531 Y532P527-A529 PolarHBondContact O-N 3.5Å; A529-K531 HydrophobicContact CB-CG 4.37Å; A529-K531 PolarHBondContact O-N 3Å; A529-Y532 HydrophobicContact CB-CD2 3.88Å; A529-Y532 HydrophobicContact CB-CE2 4.1Å; A529-Y532 PolarHBondContact O-N 2.84Å
530G94.8Very high94.2Very high24 Ų2447.3 Ų47.325%0.24728%0.281CS..THydrogen-bonded Turntrans-57.8-20.4-172.400000115.9R276 Y532 L533R276-G530 WeakPolarHBondContact CD-O 3.35Å; R276-G530 PolarHBondContact NE-O 2.96Å; G530-Y532 VanDerWaalsContact C-N 3.28Å; G530-Y532 PolarHBondContact O-N 3.47Å; G530-L533 PolarHBondContact O-N 3.27Å
531K95.5Very high93.1Very high138 Ų13850.6 Ų50.660%0.630%0.301SS*.THydrogen-bonded Turntrans-68.1-22.8174.767.5177.2-176.2171.90114.3A529 Q534A529-K531 HydrophobicContact CB-CG 4.37Å; A529-K531 PolarHBondContact O-N 3Å; K531-Q534 WeakPolarHBondContact O-CG 3.49Å; K531-Q534 PolarHBondContact O-NE2 3.13Å
532Y96.6Very high91.1Very high36 Ų3652.1 Ų52.114%0.14131%0.311CS..THydrogen-bonded Turntrans-87.7-19.2177.9-64.6-70.9000112.5I398 V518 E519 S520 P521 L528 A529 G530 Q534I398-Y532 WeakPolarHBondContact CD1-O 3.31Å; V518-Y532 HydrophobicContact CG1-CD1 3.66Å; V518-Y532 HydrophobicContact CG1-CE1 4.23Å; E519-Y532 WeakPolarHBondContact O-CE1 3.47Å; S520-Y532 WeakPolarHBondContact OG-CD2 3.27Å; P521-Y532 VanDerWaalsContact CD-CE2 3.42Å; P521-Y532 WeakPolarHBondContact CD-OH 3.21Å; P521-Y532 HydrophobicContact CG-CE2 4.13Å; L528-Y532 HydrophobicContact CD1-CD2 4.48Å; L528-Y532 HydrophobicContact CD1-CG 4.41Å; A529-Y532 HydrophobicContact CB-CD2 3.88Å; A529-Y532 HydrophobicContact CB-CE2 4.1Å; A529-Y532 PolarHBondContact O-N 2.84Å; G530-Y532 VanDerWaalsContact C-N 3.28Å; G530-Y532 PolarHBondContact O-N 3.47Å; Y532-Q534 PolarHBondContact O-N 3.27Å; Y532-Q534 VanDerWaalsContact O-N 3.08Å
533L96.3Very high88.7Confident7 Ų753.4 Ų53.44%0.03732%0.317CS..  trans-78.991.4169.6-177.263.9000108.9V272 P273 L325 V348 L528 G530V272-L533 HydrophobicContact CG1-CB 4.09Å; V272-L533 HydrophobicContact CG1-CD2 3.97Å; P273-L533 HydrophobicContact CB-CD2 3.8Å; P273-L533 HydrophobicContact CG-CD2 4.35Å; L325-L533 HydrophobicContact CD1-CD1 4.46Å; L325-L533 HydrophobicContact CD2-CD1 4.43Å; V348-L533 HydrophobicContact CG1-CD1 4.31Å; V348-L533 HydrophobicContact CG2-CD1 4.47Å; L528-L533 HydrophobicContact CD2-CB 4.29Å; G530-L533 PolarHBondContact O-N 3.27Å
534Q94.3Very high85.9Confident94 Ų9459.8 Ų59.844%0.43934%0.34SS..  trans-113.6151.6-179.6-61179.2-1.800110.2L396 K531 Y532L396-Q534 HydrophobicContact CD2-CB 4.26Å; L396-Q534 WeakPolarHBondContact CD2-O 3.31Å; K531-Q534 WeakPolarHBondContact O-CG 3.49Å; K531-Q534 PolarHBondContact O-NE2 3.13Å; Y532-Q534 PolarHBondContact O-N 3.27Å; Y532-Q534 VanDerWaalsContact O-N 3.08Å
535P94.4Very high82.8Confident75 Ų7563.8 Ų63.849%0.48737%0.369SS..PPolyproline II helixtrans-55131.3168.3-23.934.9000110.3F323F323-P535 HydrophobicContact CE2-CB 4.39Å; F323-P535 HydrophobicContact CZ-CB 3.97Å
536P96.7Very high79.6Confident12 Ų1266.8 Ų66.88%0.07838%0.375CS..PPolyproline II helixtrans-59.1141.7174.4-26.436.1000112.5V348 P394 L396V348-P536 HydrophobicContact CG2-CG 3.69Å; P394-P536 HydrophobicContact CB-CB 3.65Å; L396-P536 HydrophobicContact CB-CB 4Å; L396-P536 HydrophobicContact CB-CG 4.01Å
537W94.6Very high76.4Confident46 Ų4668.4 Ų68.417%0.17439%0.388CS..PPolyproline II helixtrans-68.3139.6-179.7175.683.5000112P394 V472 L476 Y511 L512 K515 Y516 P539P394-W537 WeakPolarHBondContact CB-O 3.39Å; V472-W537 HydrophobicContact CG1-CH2 4.25Å; L476-W537 HydrophobicContact CD1-CH2 3.99Å; Y511-W537 HydrophobicContact CE1-CZ2 4.38Å; L512-W537 HydrophobicContact CD2-CH2 4.05Å; L512-W537 HydrophobicContact CD2-CZ3 4.17Å; K515-W537 HydrophobicContact CB-CB 3.93Å; K515-W537 HydrophobicContact CB-CD2 3.64Å; K515-W537 HydrophobicContact CB-CE3 3.91Å; K515-W537 HydrophobicContact CB-CG 3.65Å; K515-W537 HydrophobicContact CD-CG 4.28Å; K515-W537 HydrophobicContact CG-CD2 3.98Å; K515-W537 HydrophobicContact CG-CG 4.01Å; Y516-W537 AromaticContact CE2-CE3 4Å; Y516-W537 HydrophobicContact CE2-CE3 4Å; Y516-W537 AromaticContact CE2-CZ3 3.74Å; Y516-W537 HydrophobicContact CE2-CZ3 3.74Å; Y516-W537 AromaticContact CZ-CZ3 3.91Å; W537-P539 HydrophobicContact CH2-CB 3.62Å; W537-P539 HydrophobicContact CH2-CG 3.88Å; W537-P539 HydrophobicContact CZ2-CB 3.74Å; W537-P539 HydrophobicContact CZ2-CG 4.4Å; W537-P539 HydrophobicContact CZ3-CB 4.33Å; W537-P539 HydrophobicContact CZ3-CG 4.12Å
538S91.9Very high73.4Confident21 Ų2167.9 Ų67.915%0.14739%0.387CS..  trans-131.8127.2174.4-178.70000109L540 T541S538-L540 PolarHBondContact O-N 2.81Å; S538-L540 PolarHBondContact OG-N 3.1Å; S538-T541 WeakPolarHBondContact CB-OG1 3.34Å; S538-T541 PolarHBondContact OG-N 3.09Å; S538-T541 PolarHBondContact OG-OG1 3.29Å; S538-T541 VanDerWaalsContact OG-OG1 3.08Å
539P84.9Confident70.3Confident9 Ų975.9 Ų75.96%0.05842%0.424CS..SBendtrans-71-19.7171.927.5-31.2000112.5L476 K477 W537L476-P539 HydrophobicContact CB-CB 3.86Å; L476-P539 HydrophobicContact CB-CG 4.08Å; L476-P539 HydrophobicContact CD1-CB 3.78Å; L476-P539 HydrophobicContact CD1-CG 3.79Å; L476-P539 HydrophobicContact CG-CB 4.48Å; K477-P539 WeakPolarHBondContact CE-O 3.42Å; W537-P539 HydrophobicContact CH2-CB 3.62Å; W537-P539 HydrophobicContact CH2-CG 3.88Å; W537-P539 HydrophobicContact CZ2-CB 3.74Å; W537-P539 HydrophobicContact CZ2-CG 4.4Å; W537-P539 HydrophobicContact CZ3-CB 4.33Å; W537-P539 HydrophobicContact CZ3-CG 4.12Å
540L83.6Confident67.2Low82 Ų8279.7 Ų79.743%0.42944%0.442SS..SBendtrans-92.4-17.4-174.7-56-176.7000113.2K477 A480 L490 S538K477-L540 HydrophobicContact CG-CD2 4.11Å; A480-L540 HydrophobicContact CB-CD1 4.14Å; A480-L540 HydrophobicContact CB-CD2 3.59Å; L490-L540 HydrophobicContact CD2-CD1 4.02Å; S538-L540 PolarHBondContact O-N 2.81Å; S538-L540 PolarHBondContact OG-N 3.1Å
541T72.8Confident64.1Low72 Ų7286 Ų8644%0.44247%0.471SS..SBendtrans-105.3128.4178.9-41.30000108.2S538 S543S538-T541 WeakPolarHBondContact CB-OG1 3.34Å; S538-T541 PolarHBondContact OG-N 3.09Å; S538-T541 PolarHBondContact OG-OG1 3.29Å; S538-T541 VanDerWaalsContact OG-OG1 3.08Å; T541-S543 PolarHBondContact O-N 3.47Å
542P54.3Low61Low105 Ų10587 Ų8768%0.68248%0.481SS*.  trans-58.7140.1169.918.6-23.7000109.8F544P542-F544 PolarHBondContact O-N 3.07Å
543S43.9Very low57.8Low44 Ų4491.4 Ų91.431%0.30851%0.507SS..  trans-62.8125.2179.979.30000108.8T541 S545 E546T541-S543 PolarHBondContact O-N 3.47Å; S543-S545 PolarHBondContact O-N 3.23Å; S543-S545 VanDerWaalsContact O-N 3.14Å; S543-S545 PolarHBondContact OG-OG 3.49Å; S543-E546 PolarHBondContact O-N 3.27Å; S543-E546 VanDerWaalsContact OG-CB 3.31Å; S543-E546 WeakPolarHBondContact OG-CB 3.45Å; S543-E546 WeakPolarHBondContact OG-CG 3.27Å; S543-E546 PolarHBondContact OG-N 3.21Å; S543-E546 PolarHBondContact OG-OE2 3.02Å
544F38.2Very low54.7Low175 Ų17597.2 Ų97.277%0.76855%0.547SS*.G310 helixtrans-61.1-21174.8-82.1-83.2000111.6P542 S547P542-F544 PolarHBondContact O-N 3.07Å; F544-S547 PolarHBondContact O-OG 3.19Å; F544-S547 VanDerWaalsContact O-OG 3.12Å
545S31.6Very low51.8Low90 Ų90101.4 Ų101.463%0.62956%0.563SS**G310 helixtrans-73.7-21.517847.80000115.1S543S543-S545 PolarHBondContact O-N 3.23Å; S543-S545 VanDerWaalsContact O-N 3.14Å; S543-S545 PolarHBondContact OG-OG 3.49Å
546E27.3Very low48.6Very low148 Ų148105.1 Ų105.169%0.69258%0.578SS**G310 helixtrans-92.4-6.2-178.6-76.8165.9161.900113.5S543 S548S543-E546 PolarHBondContact O-N 3.27Å; S543-E546 VanDerWaalsContact OG-CB 3.31Å; S543-E546 WeakPolarHBondContact OG-CB 3.45Å; S543-E546 WeakPolarHBondContact OG-CG 3.27Å; S543-E546 PolarHBondContact OG-N 3.21Å; S543-E546 PolarHBondContact OG-OE2 3.02Å; E546-S548 VanDerWaalsContact C-N 3.29Å; E546-S548 PolarHBondContact O-N 2.62Å
547S27.1Very low45.8Very low85 Ų85110.9 Ų110.959%0.59461%0.612SS**THydrogen-bonded Turntrans-825.8-179.2650000115.3F544F544-S547 PolarHBondContact O-OG 3.19Å; F544-S547 VanDerWaalsContact O-OG 3.12Å
548S29.3Very low43.1Very low102 Ų102119.2 Ų119.271%0.71366%0.66SS**THydrogen-bonded Turntrans-101.53.4179.466.90000116.5E546E546-S548 VanDerWaalsContact C-N 3.29Å; E546-S548 PolarHBondContact O-N 2.62Å
549E32.8Very low40.7Very low182 Ų182124.2 Ų124.285%0.8569%0.686SS**SBendtrans-132.43.5-179.2-82-166.9166.500118.4
550T29.5Very low38.4Very low126 Ų126130.2 Ų130.277%0.77372%0.719SS**SBendtrans-13819179.249.40000117.7
551D31.4Very low35.9Very low157 Ų157132.9 Ų132.984%0.8474%0.735SS**SBendtrans-108.937177.2-109.5-9.6000114.2
552I28.9Very low33.7Very low158 Ų158136.5 Ų136.581%0.8175%0.752SS**SBendtrans-149.875.6163-48.4176.8000110
553D29.2Very low32.4Very low129 Ų129138.4 Ų138.469%0.6976%0.757SS**  trans-175.673.7144.1-104.4-21.7000111.5
554C32.1Very low31.6Very low130 Ų130144.7 Ų144.788%0.87879%0.787SS**  trans-121.773.9152.6-86.20000107.5I556C554-I556 PolarHBondContact O-N 2.96Å
555K32.7Very low31.2Very low181 Ų181142.6 Ų142.679%0.78779%0.788SS**  trans-63.8114.1161.3-84.6-179.4179.51680108.4V557K555-V557 PolarHBondContact O-N 2.93Å
556I28.1Very low31.1Very low154 Ų154146.6 Ų146.679%0.7980%0.8SS**  trans-50.6116.2159.5-62.1165.8000107.8C554C554-I556 PolarHBondContact O-N 2.96Å
557V37.3Very low31.4Very low133 Ų133146.5 Ų146.581%0.80681%0.809SS**  trans-122.3117.9157.1-178.50000105.3K555K555-V557 PolarHBondContact O-N 2.93Å
558D39Very low31.8Very low221 Ų221152.1 Ų152.1100%1.18283%0.829SS**  trans-52.80174.9-70.8-45.4000113.4

Retrieved 558 of 558 residues in 504.1 ms (Link to these results)

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