A0A087X3X1_POEFO Loading...

tRNA(His) guanylyltransferase

Adds a GMP to the 5'-end of tRNA(His) after transcription and RNase P cleavage. This step is essential for proper recognition of the tRNA and for the fidelity of protein synthesis. Also functions as a guanyl-nucleotide exchange factor/GEF for the MFN1 and MFN2 mitofusins thereby regulating mitochondrial fusion. By regulating both mitochondrial dynamics and bioenergetic function, it contributes to cell survival following oxidative stress.

AlphaFold DB , UniProt , Accession A0A087X3X1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 268 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.4Very low82.4Confident240 Ų240130 Ų130100%1.18266%0.657SS**  0113.20-91.2-177.2-91.300108K3M1-K3 PolarHBondContact O-N 3.26Å
2A52.6Low83.5Confident109 Ų109132.2 Ų132.290%0.90166%0.659SS**  trans-67.1112.4176.400000108.5S4A2-S4 PolarHBondContact O-N 3.45Å
3K65.1Low84.5Confident172 Ų172131.5 Ų131.575%0.74865%0.653SS**  trans-64.2116.4169.8-69.2-168.2168.1-174.50107.6M1 E7M1-K3 PolarHBondContact O-N 3.26Å; K3-E7 WeakPolarHBondContact CB-OE2 3.32Å; K3-E7 VanDerWaalsContact CD-OE2 3.23Å; K3-E7 WeakPolarHBondContact CD-OE2 3.48Å; K3-E7 WeakPolarHBondContact CG-OE2 3.39Å
4S83.8Confident85.3Confident68 Ų68130.6 Ų130.648%0.47666%0.658SS.*  trans-59.2143.1176.6172.20000109.6A2 F6 E7A2-S4 PolarHBondContact O-N 3.45Å; S4-F6 PolarHBondContact O-N 3.37Å; S4-F6 WeakPolarHBondContact OG-CD2 3.3Å; S4-F6 PolarHBondContact OG-N 2.8Å; S4-E7 WeakPolarHBondContact O-CB 3.23Å; S4-E7 PolarHBondContact O-N 3.01Å
5K90.9Very high86Confident170 Ų170129.9 Ų129.974%0.73966%0.658SS**THydrogen-bonded Turntrans-56.9-12.9174.370.2179.4-176.2-179.60113.7Y8K5-Y8 WeakPolarHBondContact O-CD1 3.43Å
6F93.2Very high86.7Confident120 Ų120124.6 Ų124.653%0.52663%0.632SS.*THydrogen-bonded Turntrans-97.1-4179.1-54.4-66.1000113.9S4 Y8 V9S4-F6 PolarHBondContact O-N 3.37Å; S4-F6 WeakPolarHBondContact OG-CD2 3.3Å; S4-F6 PolarHBondContact OG-N 2.8Å; F6-Y8 PolarHBondContact O-N 3.1Å; F6-Y8 VanDerWaalsContact O-N 3.09Å; F6-V9 VanDerWaalsContact O-CG2 3.25Å; F6-V9 WeakPolarHBondContact O-CG2 3.3Å; F6-V9 PolarHBondContact O-N 3.48Å
7E94.1Very high87.4Confident71 Ų71121.1 Ų121.133%0.33262%0.617SS.*G310 helixtrans-61-24.2-174.9-171.9174.6-166.500113.5K3 S4 V9 R10K3-E7 WeakPolarHBondContact CB-OE2 3.32Å; K3-E7 VanDerWaalsContact CD-OE2 3.23Å; K3-E7 WeakPolarHBondContact CD-OE2 3.48Å; K3-E7 WeakPolarHBondContact CG-OE2 3.39Å; S4-E7 WeakPolarHBondContact O-CB 3.23Å; S4-E7 PolarHBondContact O-N 3.01Å; E7-V9 PolarHBondContact O-N 2.83Å; E7-V9 VanDerWaalsContact O-N 3.08Å; E7-R10 WeakPolarHBondContact O-CB 3.46Å; E7-R10 PolarHBondContact O-N 3.18Å; E7-R10 VanDerWaalsContact O-N 3.09Å; E7-R10 IonicContact OE1-NH1 3.65Å
8Y94.1Very high88Confident149 Ų149114.8 Ų114.858%0.58459%0.587SS**G310 helixtrans-56.2-26.1177.480.4-85.6000113.1K5 F6 R10 S11 F12K5-Y8 WeakPolarHBondContact O-CD1 3.43Å; F6-Y8 PolarHBondContact O-N 3.1Å; F6-Y8 VanDerWaalsContact O-N 3.09Å; Y8-R10 PolarHBondContact O-N 2.79Å; Y8-R10 VanDerWaalsContact O-N 3.13Å; Y8-S11 PolarHBondContact O-N 3.02Å; Y8-S11 PolarHBondContact O-OG 3.36Å; Y8-F12 HydrophobicContact CD2-CE2 4.08Å; Y8-F12 HydrophobicContact CE2-CE2 4.11Å
9V95.9Very high88.5Confident76 Ų76115.2 Ų115.246%0.46159%0.589SS.*G310 helixtrans-62.8-23.1179.7-56.60000112.8F6 E7 S11 F12F6-V9 VanDerWaalsContact O-CG2 3.25Å; F6-V9 WeakPolarHBondContact O-CG2 3.3Å; F6-V9 PolarHBondContact O-N 3.48Å; E7-V9 PolarHBondContact O-N 2.83Å; E7-V9 VanDerWaalsContact O-N 3.08Å; V9-S11 PolarHBondContact O-N 3.4Å; V9-F12 WeakPolarHBondContact O-CD2 3.37Å; V9-F12 PolarHBondContact O-N 3.28Å
10R93.1Very high88.9Confident156 Ų156119.5 Ų119.559%0.58960%0.598SS**G310 helixtrans-67.6-22177.1-63.7179.167.9-166.91.7112.8E7 Y8 F12 E13E7-R10 WeakPolarHBondContact O-CB 3.46Å; E7-R10 PolarHBondContact O-N 3.18Å; E7-R10 VanDerWaalsContact O-N 3.09Å; E7-R10 IonicContact OE1-NH1 3.65Å; Y8-R10 PolarHBondContact O-N 2.79Å; Y8-R10 VanDerWaalsContact O-N 3.13Å; R10-F12 PolarHBondContact O-N 3.13Å; R10-E13 WeakPolarHBondContact O-CB 3.39Å; R10-E13 PolarHBondContact O-N 3.43Å
11S93.9Very high89.1Confident99 Ų99119.5 Ų119.569%0.69260%0.6SS**G310 helixtrans-73.8-9.8178.871.40000113.5Y8 V9 E13Y8-S11 PolarHBondContact O-N 3.02Å; Y8-S11 PolarHBondContact O-OG 3.36Å; V9-S11 PolarHBondContact O-N 3.4Å; S11-E13 VanDerWaalsContact C-N 3.34Å
12F96.2Very high91.4Very high156 Ų156108.4 Ų108.468%0.68455%0.546SS*.G310 helixtrans-83.3-10.7172.9-65.8-85.6000112.7Y8 V9 R10 T14Y8-F12 HydrophobicContact CD2-CE2 4.08Å; Y8-F12 HydrophobicContact CE2-CE2 4.11Å; V9-F12 WeakPolarHBondContact O-CD2 3.37Å; V9-F12 PolarHBondContact O-N 3.28Å; R10-F12 PolarHBondContact O-N 3.13Å; F12-T14 PolarHBondContact O-N 2.88Å
13E96.2Very high93.6Very high124 Ų124103.2 Ų103.258%0.57950%0.503SS*.PPolyproline II helixtrans-64.1127.8171.4-66.5179.3-14400109.5R10 S11R10-E13 WeakPolarHBondContact O-CB 3.39Å; R10-E13 PolarHBondContact O-N 3.43Å; S11-E13 VanDerWaalsContact C-N 3.34Å
14T96Very high95.2Very high118 Ų11895 Ų9572%0.72447%0.467SS*.PPolyproline II helixtrans-87.8135.3177.7-57.10000109.9F12F12-T14 PolarHBondContact O-N 2.88Å
15D95.6Very high95.9Very high121 Ų12191.8 Ų91.865%0.64744%0.444SS*.PPolyproline II helixtrans-74.6126170.3-175.456.4000110.1T17D15-T17 PolarHBondContact OD1-OG1 3.01Å; D15-T17 WeakPolarHBondContact OD2-CB 3.47Å; D15-T17 PolarHBondContact OD2-OG1 3.11Å
16D97.2Very high96.3Very high45 Ų4583.7 Ų83.724%0.24141%0.409CS..  trans-124.435.3-173.465.8-27.1000111.3C18 R92 A93 S94D16-C18 PolarHBondContact O-N 3.42Å; D16-R92 WeakPolarHBondContact OD1-CB 3.23Å; D16-R92 IonicContact OD1-NE 3.27Å; D16-R92 PolarHBondContact OD1-NE 3.32Å; D16-A93 HydrophobicContact CB-CB 4.45Å; D16-A93 WeakPolarHBondContact O-CB 3.43Å; D16-A93 PolarHBondContact O-N 2.89Å; D16-S94 PolarHBondContact OD1-OG 2.95Å; D16-S94 WeakPolarHBondContact OD2-CA 3.42Å; D16-S94 WeakPolarHBondContact OD2-CB 3.43Å; D16-S94 PolarHBondContact OD2-N 3.37Å; D16-S94 PolarHBondContact OD2-OG 3.12Å
17T98.2Very high96.5Very high64 Ų6479.5 Ų79.539%0.39339%0.39SS..BIsolated β-bridgetrans-66.8121.2-179.9-64.60000110.8D15 K90 R91D15-T17 PolarHBondContact OD1-OG1 3.01Å; D15-T17 WeakPolarHBondContact OD2-CB 3.47Å; D15-T17 PolarHBondContact OD2-OG1 3.11Å; T17-K90 WeakPolarHBondContact CG2-O 3.44Å; T17-R91 HydrophobicContact CG2-CB 4.38Å
18C98.1Very high96.8Very high9 Ų976.1 Ų76.16%0.06137%0.374CS..PPolyproline II helixtrans-66.8142.4176.1-62.40000111.9D16 R20 I24 R91 L133D16-C18 PolarHBondContact O-N 3.42Å; C18-R20 PolarHBondContact O-N 2.89Å; C18-I24 HydrophobicContact CB-CD1 3.78Å; C18-I24 HydrophobicContact CB-CG1 4.22Å; C18-R91 HydrophobicContact CB-CB 4.18Å; C18-R91 WeakPolarHBondContact CB-O 3.43Å; C18-R91 PolarHBondContact N-O 3.39Å; C18-R91 PolarHBondContact O-NE 2.91Å; C18-R91 PolarHBondContact SG-O 3.34Å; C18-L133 HydrophobicContact CB-CD1 3.96Å; C18-L133 HydrophobicContact CB-CD2 3.71Å; C18-L133 HydrophobicContact CB-CG 4.47Å
19L97.8Very high97Very high122 Ų12271.7 Ų71.764%0.63936%0.361SS*.PPolyproline II helixtrans-52.5136.9177.1-173.167000110.9R91 L133L19-R91 PolarHBondContact O-NE 3.37Å; L19-R91 PolarHBondContact O-NH2 2.95Å; L19-L133 HydrophobicContact CB-CD1 3.94Å
20R95.7Very high97Very high200 Ų20068.2 Ų68.276%0.75534%0.34SS*.THydrogen-bonded Turntrans-68.8161.6178.7-64.5-176.3-175.9179.51.7111.1C18 C22C18-R20 PolarHBondContact O-N 2.89Å; R20-C22 PolarHBondContact O-N 3.32Å; R20-C22 PolarHBondContact O-SG 3.05Å
21N94.5Very high97.2Very high120 Ų12069.3 Ų69.364%0.64234%0.344SS*.THydrogen-bonded Turntrans55.723.5178.9-58.1-8.4000113.8
22C97.2Very high97.3Very high7 Ų770.2 Ų70.25%0.04734%0.342CS..SBendtrans-119.2141.2174.5-62.70000109R20 R84 R91 L133 Y134R20-C22 PolarHBondContact O-N 3.32Å; R20-C22 PolarHBondContact O-SG 3.05Å; C22-R84 WeakPolarHBondContact O-CA 3.22Å; C22-R91 PolarHBondContact O-NH2 2.9Å; C22-L133 HydrophobicContact CB-CB 4.24Å; C22-Y134 CarbonylContact C-O 3.57Å; C22-Y134 WeakPolarHBondContact CA-O 3.14Å
23Y98.3Very high97.3Very high0 Ų063.5 Ų63.50%031%0.312CS..EExtended strand (participates in β ladder)trans-61.9141166.9-73.6-75000108.2V81 R84 L133 Y134 N137 L140 E265Y23-V81 HydrophobicContact CD1-CG1 3.76Å; Y23-V81 HydrophobicContact CE1-CG1 4.47Å; Y23-V81 HydrophobicContact CG-CG1 4.36Å; Y23-R84 HydrophobicContact CD1-CG 3.73Å; Y23-R84 HydrophobicContact CD2-CG 3.52Å; Y23-R84 HydrophobicContact CE1-CG 3.72Å; Y23-R84 HydrophobicContact CE2-CG 3.5Å; Y23-R84 VanDerWaalsContact CE2-CG 3.5Å; Y23-R84 HydrophobicContact CG-CG 3.63Å; Y23-L133 WeakPolarHBondContact O-CA 3.18Å; Y23-Y134 PolarHBondContact N-O 3.02Å; Y23-Y134 PolarHBondContact O-N 3.48Å; Y23-N137 VanDerWaalsContact CE2-OD1 3.22Å; Y23-N137 WeakPolarHBondContact CE2-OD1 3.2Å; Y23-N137 PolarHBondContact OH-OD1 3.26Å; Y23-L140 HydrophobicContact CD1-CD2 3.71Å; Y23-L140 HydrophobicContact CD2-CB 4.03Å; Y23-L140 HydrophobicContact CD2-CD2 3.78Å; Y23-L140 HydrophobicContact CD2-CG 4.45Å; Y23-L140 HydrophobicContact CE1-CD2 3.76Å; Y23-L140 HydrophobicContact CE2-CB 4.4Å; Y23-L140 HydrophobicContact CE2-CD2 3.83Å; Y23-L140 HydrophobicContact CG-CB 4.47Å; Y23-L140 HydrophobicContact CG-CD2 3.72Å; Y23-L140 HydrophobicContact CG-CG 4.49Å; Y23-E265 PolarHBondContact OH-N 2.76Å
24I98.7Very high97.2Very high0 Ų064.6 Ų64.60%032%0.317CS..EExtended strand (participates in β ladder)trans-111.1114.3174.2-47.4175.6000107C18 F82 T86 R91 L96 V131 L133C18-I24 HydrophobicContact CB-CD1 3.78Å; C18-I24 HydrophobicContact CB-CG1 4.22Å; I24-F82 HydrophobicContact CB-CB 4.17Å; I24-F82 PolarHBondContact N-O 3.16Å; I24-F82 PolarHBondContact O-N 3.33Å; I24-T86 HydrophobicContact CD1-CG2 3.99Å; I24-R91 HydrophobicContact CD1-CB 4.28Å; I24-L96 HydrophobicContact CB-CD1 4.34Å; I24-L96 HydrophobicContact CD1-CD1 3.48Å; I24-L96 VanDerWaalsContact CD1-CD1 3.48Å; I24-L96 HydrophobicContact CG1-CD1 4.49Å; I24-L96 HydrophobicContact CG2-CD1 3.75Å; I24-V131 HydrophobicContact CG2-CG1 3.39Å; I24-L133 HydrophobicContact CB-CD2 4.09Å; I24-L133 HydrophobicContact CG1-CD2 3.75Å; I24-L133 HydrophobicContact CG2-CD2 3.91Å
25V98.8Very high97.2Very high0 Ų064.6 Ų64.60%031%0.307CS..EExtended strand (participates in β ladder)trans-101120.9176-179.90000108.7F80 V81 V131 V132 Y134 L140 Y143V25-F80 WeakPolarHBondContact CA-O 3.43Å; V25-V81 HydrophobicContact CG2-CG1 4.41Å; V25-V81 HydrophobicContact CG2-CG2 4.15Å; V25-V131 CarbonylContact O-C 3.6Å; V25-V131 WeakPolarHBondContact O-CA 3.44Å; V25-V132 PolarHBondContact N-O 2.98Å; V25-V132 PolarHBondContact O-N 2.85Å; V25-Y134 HydrophobicContact CB-CD2 4.4Å; V25-Y134 HydrophobicContact CB-CE2 4.18Å; V25-Y134 HydrophobicContact CG2-CD2 3.59Å; V25-Y134 HydrophobicContact CG2-CE2 3.73Å; V25-L140 HydrophobicContact CG2-CD1 3.97Å; V25-Y143 HydrophobicContact CG1-CD1 4.33Å; V25-Y143 HydrophobicContact CG1-CE1 3.55Å; V25-Y143 HydrophobicContact CG2-CD1 4.41Å; V25-Y143 HydrophobicContact CG2-CE1 4.41Å
26V98.9Very high97.4Very high0 Ų058.9 Ų58.90%028%0.276CS..EExtended strand (participates in β ladder)trans-101.3113.7167.9-175.20000107.9L28 S79 F80 F82 L96 V100 R130 V131V26-L28 HydrophobicContact CG1-CD2 4.46Å; V26-S79 CarbonylContact O-C 3.6Å; V26-S79 WeakPolarHBondContact O-CA 3.46Å; V26-F80 PolarHBondContact N-O 3.29Å; V26-F80 PolarHBondContact O-N 2.81Å; V26-F82 HydrophobicContact CB-CE2 4.41Å; V26-F82 HydrophobicContact CG2-CD2 4.18Å; V26-F82 HydrophobicContact CG2-CE2 3.71Å; V26-L96 HydrophobicContact CG2-CB 4.16Å; V26-V100 HydrophobicContact CB-CB 4.49Å; V26-V100 HydrophobicContact CB-CG1 4.3Å; V26-V100 HydrophobicContact CB-CG2 4.31Å; V26-V100 HydrophobicContact CG1-CB 3.91Å; V26-V100 HydrophobicContact CG1-CG1 3.75Å; V26-V100 HydrophobicContact CG1-CG2 4.25Å; V26-V100 HydrophobicContact CG2-CG2 4.39Å; V26-R130 WeakPolarHBondContact CA-O 3.25Å; V26-V131 HydrophobicContact CG2-CG2 4.29Å
27R98.8Very high97.4Very high32 Ų3257.1 Ų57.112%0.12127%0.268CS..EExtended strand (participates in β ladder)trans-103.9127.1175.4-168.6179.287.1-17812.6110.1E77 F78 G129 R130 Y143R27-E77 WeakPolarHBondContact CD-OE2 3.37Å; R27-E77 IonicContact CZ-OE2 3.95Å; R27-E77 IonicContact NE-OE2 3.91Å; R27-E77 PolarHBondContact NE-OE2 3.43Å; R27-E77 IonicContact NH1-OE2 2.75Å; R27-F78 CarbonylContact C-O 3.57Å; R27-F78 WeakPolarHBondContact CA-O 3.42Å; R27-G129 CarbonylContact O-C 3.54Å; R27-G129 WeakPolarHBondContact O-CA 3.28Å; R27-R130 HydrophobicContact CB-CG 4.23Å; R27-R130 PolarHBondContact N-O 3.15Å; R27-R130 PolarHBondContact O-N 2.89Å; R27-Y143 WeakPolarHBondContact CD-OH 3.37Å
28L98.8Very high97.3Very high1 Ų160.5 Ų60.51%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-101.6147.1170.9-60.2-172.6000111V26 E77 F78 F80 V100 A101 F104 D128V26-L28 HydrophobicContact CG1-CD2 4.46Å; L28-E77 CarbonylContact O-C 3.52Å; L28-E77 WeakPolarHBondContact O-CA 3.36Å; L28-E77 VanDerWaalsContact O-CB 3.25Å; L28-E77 WeakPolarHBondContact O-CB 3.27Å; L28-F78 PolarHBondContact N-O 2.93Å; L28-F78 PolarHBondContact O-N 3.43Å; L28-F80 HydrophobicContact CD1-CE2 4.08Å; L28-F80 HydrophobicContact CG-CE2 4.25Å; L28-V100 HydrophobicContact CD1-CG1 3.84Å; L28-V100 HydrophobicContact CD2-CG1 4.16Å; L28-V100 HydrophobicContact CG-CG1 3.94Å; L28-A101 HydrophobicContact CD2-CB 3.87Å; L28-F104 HydrophobicContact CD1-CB 3.41Å; L28-F104 VanDerWaalsContact CD1-CB 3.41Å; L28-F104 HydrophobicContact CD1-CD1 4.02Å; L28-F104 HydrophobicContact CD1-CD2 4.01Å; L28-F104 HydrophobicContact CD1-CG 3.54Å; L28-D128 CarbonylContact C-O 3.51Å; L28-D128 WeakPolarHBondContact CA-O 3.45Å
29D98.4Very high97.3Very high55 Ų5564 Ų6429%0.29430%0.295SS..EExtended strand (participates in β ladder)trans-141.7134.7179.3-168.7-67.7000110R31 F127 D128D29-R31 PolarHBondContact O-N 3.44Å; D29-F127 CarbonylContact O-C 3.51Å; D29-F127 VanDerWaalsContact O-CA 3.28Å; D29-F127 WeakPolarHBondContact O-CA 3.06Å; D29-D128 PolarHBondContact N-O 2.81Å; D29-D128 PolarHBondContact O-N 3.14Å
30G97.5Very high97.3Very high3 Ų358.2 Ų58.23%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-65.5114-178.500000113N32 F33 D76G30-N32 PolarHBondContact O-N 3Å; G30-N32 VanDerWaalsContact O-N 3.11Å; G30-F33 PolarHBondContact O-N 3.4Å; G30-D76 PolarHBondContact N-O 2.85Å
31R97Very high97.4Very high180 Ų18056 Ų5668%0.67926%0.263SS*.THydrogen-bonded Turntrans-68.9116.6-178.8-173.3-178177.8-172.80.5111D29 F33 G126D29-R31 PolarHBondContact O-N 3.44Å; R31-F33 PolarHBondContact O-N 3.12Å; R31-G126 VanDerWaalsContact CB-O 3.26Å; R31-G126 WeakPolarHBondContact CB-O 3.3Å; R31-G126 PolarHBondContact N-O 3.12Å
32N95.3Very high97.5Very high118 Ų11851.6 Ų51.663%0.63124%0.238SC*.THydrogen-bonded Turntrans5637.8-178.6-62.2-26.7000112.7G30 H34 K35 F36G30-N32 PolarHBondContact O-N 3Å; G30-N32 VanDerWaalsContact O-N 3.11Å; N32-H34 PolarHBondContact O-N 3.4Å; N32-K35 PolarHBondContact O-N 2.81Å; N32-K35 VanDerWaalsContact O-N 3.1Å; N32-F36 PolarHBondContact O-N 2.63Å
33F95.8Very high97.5Very high14 Ų1453.8 Ų53.86%0.06126%0.256CS..Hα-helixtrans-66.3-19.3-173.3-118.7-115.6000114.3G30 R31 K35 F36 A37 D76 Y108 P125 F127G30-F33 PolarHBondContact O-N 3.4Å; R31-F33 PolarHBondContact O-N 3.12Å; F33-K35 PolarHBondContact O-N 2.96Å; F33-F36 HydrophobicContact CD1-CD1 4.28Å; F33-F36 HydrophobicContact CD2-CB 4.25Å; F33-F36 HydrophobicContact CD2-CG 4.43Å; F33-F36 AromaticContact CE1-CD1 3.98Å; F33-F36 HydrophobicContact CE1-CD1 3.98Å; F33-F36 HydrophobicContact CE1-CE1 4.39Å; F33-F36 HydrophobicContact CE2-CD1 4.32Å; F33-F36 HydrophobicContact CE2-CG 4.36Å; F33-F36 HydrophobicContact CG-CB 4.28Å; F33-F36 HydrophobicContact CZ-CD1 4.01Å; F33-F36 HydrophobicContact CZ-CE1 4.22Å; F33-F36 HydrophobicContact CZ-CG 4.5Å; F33-F36 PolarHBondContact O-N 3.19Å; F33-A37 VanDerWaalsContact O-CB 3.25Å; F33-A37 WeakPolarHBondContact O-CB 3.41Å; F33-A37 PolarHBondContact O-N 2.89Å; F33-D76 HydrophobicContact CB-CB 3.86Å; F33-D76 WeakPolarHBondContact CB-OD2 3.5Å; F33-D76 HydrophobicContact CD1-CB 3.49Å; F33-D76 VanDerWaalsContact CD1-CB 3.49Å; F33-D76 HydrophobicContact CE1-CB 4.17Å; F33-D76 HydrophobicContact CG-CB 3.78Å; F33-Y108 HydrophobicContact CZ-CE1 4.4Å; F33-Y108 HydrophobicContact CZ-CE2 4.12Å; F33-Y108 AromaticContact CZ-CZ 3.78Å; F33-P125 HydrophobicContact CE2-CB 4.03Å; F33-F127 AromaticContact CE2-CE1 3.9Å; F33-F127 HydrophobicContact CE2-CE1 3.9Å; F33-F127 AromaticContact CE2-CZ 3.86Å; F33-F127 HydrophobicContact CE2-CZ 3.86Å; F33-F127 HydrophobicContact CZ-CE1 4.01Å; F33-F127 AromaticContact CZ-CZ 3.85Å; F33-F127 HydrophobicContact CZ-CZ 3.85Å
34H94.8Very high97.5Very high147 Ų14756.7 Ų56.768%0.68127%0.269SS*.Hα-helixtrans-57.4-49169.7-172.680.6000112N32 A37 E38N32-H34 PolarHBondContact O-N 3.4Å; H34-A37 PolarHBondContact O-N 3.42Å; H34-E38 PolarHBondContact O-N 3.3Å; H34-E38 VanDerWaalsContact O-N 3.08Å
35K97.1Very high97.3Very high118 Ų11858.4 Ų58.451%0.51328%0.28SS..Hα-helixtrans-67.4-37.9175.8-178.4179.5177.8179.20111.3N32 F33 E38 Q39N32-K35 PolarHBondContact O-N 2.81Å; N32-K35 VanDerWaalsContact O-N 3.1Å; F33-K35 PolarHBondContact O-N 2.96Å; K35-E38 PolarHBondContact O-N 2.95Å; K35-Q39 HydrophobicContact CG-CG 4.34Å; K35-Q39 WeakPolarHBondContact O-CB 3.27Å; K35-Q39 VanDerWaalsContact O-CG 3.32Å; K35-Q39 WeakPolarHBondContact O-CG 3.49Å; K35-Q39 PolarHBondContact O-N 3.38Å
36F98Very high97.2Very high2 Ų260.2 Ų60.21%0.00929%0.29CS..Hα-helixtrans-60-48.9176-173-89.8000111.6N32 F33 E38 Q39 H40 F42 Y108 W112 L121 Y123 P125N32-F36 PolarHBondContact O-N 2.63Å; F33-F36 HydrophobicContact CD1-CD1 4.28Å; F33-F36 HydrophobicContact CD2-CB 4.25Å; F33-F36 HydrophobicContact CD2-CG 4.43Å; F33-F36 AromaticContact CE1-CD1 3.98Å; F33-F36 HydrophobicContact CE1-CD1 3.98Å; F33-F36 HydrophobicContact CE1-CE1 4.39Å; F33-F36 HydrophobicContact CE2-CD1 4.32Å; F33-F36 HydrophobicContact CE2-CG 4.36Å; F33-F36 HydrophobicContact CG-CB 4.28Å; F33-F36 HydrophobicContact CZ-CD1 4.01Å; F33-F36 HydrophobicContact CZ-CE1 4.22Å; F33-F36 HydrophobicContact CZ-CG 4.5Å; F33-F36 PolarHBondContact O-N 3.19Å; F36-E38 PolarHBondContact O-N 3.37Å; F36-Q39 PolarHBondContact O-N 2.81Å; F36-H40 AromaticContact CD1-ND1 3.81Å; F36-H40 AromaticContact CD2-CE1 3.53Å; F36-H40 AromaticContact CD2-ND1 3.68Å; F36-H40 AromaticContact CE1-ND1 3.73Å; F36-H40 AromaticContact CE2-CE1 3.19Å; F36-H40 WeakPolarHBondContact CE2-CE1 3.39Å; F36-H40 AromaticContact CE2-ND1 3.6Å; F36-H40 AromaticContact CE2-NE2 3.96Å; F36-H40 AromaticContact CG-ND1 3.77Å; F36-H40 AromaticContact CZ-CE1 3.52Å; F36-H40 AromaticContact CZ-ND1 3.62Å; F36-H40 WeakPolarHBondContact O-CB 3.29Å; F36-H40 PolarHBondContact O-N 3.32Å; F36-H40 PolarHBondContact O-ND1 3.23Å; F36-F42 AromaticContact CD1-CZ 3.99Å; F36-F42 HydrophobicContact CD1-CZ 3.99Å; F36-F42 HydrophobicContact CE1-CE1 4.25Å; F36-F42 AromaticContact CE1-CZ 3.78Å; F36-F42 HydrophobicContact CE1-CZ 3.78Å; F36-Y108 HydrophobicContact CE1-CE1 4.15Å; F36-Y108 AromaticContact CZ-CE1 3.97Å; F36-Y108 HydrophobicContact CZ-CE1 3.97Å; F36-W112 AromaticContact CE1-CH2 3.93Å; F36-W112 HydrophobicContact CE1-CH2 3.93Å; F36-W112 AromaticContact CE1-CZ3 3.73Å; F36-W112 HydrophobicContact CE1-CZ3 3.73Å; F36-W112 AromaticContact CZ-CH2 3.85Å; F36-W112 HydrophobicContact CZ-CH2 3.85Å; F36-W112 AromaticContact CZ-CZ3 3.6Å; F36-W112 HydrophobicContact CZ-CZ3 3.6Å; F36-L121 HydrophobicContact CE2-CD1 3.82Å; F36-L121 HydrophobicContact CZ-CD1 3.57Å; F36-Y123 WeakPolarHBondContact CA-OH 3.32Å; F36-Y123 HydrophobicContact CD2-CD2 4.44Å; F36-Y123 HydrophobicContact CD2-CE1 4.24Å; F36-Y123 AromaticContact CD2-CE2 3.66Å; F36-Y123 HydrophobicContact CD2-CE2 3.66Å; F36-Y123 AromaticContact CD2-CZ 3.57Å; F36-Y123 HydrophobicContact CE2-CE2 4.28Å; F36-Y123 PolarHBondContact N-OH 2.77Å; F36-P125 HydrophobicContact CD2-CB 4.18Å; F36-P125 HydrophobicContact CE2-CB 3.84Å; F36-P125 HydrophobicContact CE2-CG 4.27Å; F36-P125 HydrophobicContact CZ-CB 4.35Å; F36-P125 HydrophobicContact CZ-CG 4.48Å
37A97.5Very high97.2Very high8 Ų860.7 Ų60.77%0.06629%0.292CS..Hα-helixtrans-62.9-39.5178.700000112.2F33 H34 H40 Q41 F42F33-A37 VanDerWaalsContact O-CB 3.25Å; F33-A37 WeakPolarHBondContact O-CB 3.41Å; F33-A37 PolarHBondContact O-N 2.89Å; H34-A37 PolarHBondContact O-N 3.42Å; A37-H40 CarbonylContact O-C 3.54Å; A37-Q41 PolarHBondContact O-N 3.17Å; A37-F42 HydrophobicContact CB-CB 3.96Å; A37-F42 HydrophobicContact CB-CD2 3.59Å; A37-F42 HydrophobicContact CB-CE2 4.22Å; A37-F42 HydrophobicContact CB-CG 3.82Å; A37-F42 PolarHBondContact O-N 3Å
38E96.9Very high97.1Very high135 Ų13564 Ų6463%0.63131%0.312SS*.Hα-helixtrans-64.2-51175.7-175.4-175.9-167.100111.7H34 K35 F36 H40 Q41H34-E38 PolarHBondContact O-N 3.3Å; H34-E38 VanDerWaalsContact O-N 3.08Å; K35-E38 PolarHBondContact O-N 2.95Å; F36-E38 PolarHBondContact O-N 3.37Å; E38-H40 VanDerWaalsContact C-N 3.27Å; E38-H40 PolarHBondContact O-N 2.86Å; E38-Q41 PolarHBondContact O-N 2.67Å
39Q97.4Very high97.1Very high83 Ų8367.8 Ų67.839%0.38833%0.326SS..Hα-helixtrans-66.3-30.2-177.9-68.7-177.1-58.400112.8K35 F36 L122 Y123K35-Q39 HydrophobicContact CG-CG 4.34Å; K35-Q39 WeakPolarHBondContact O-CB 3.27Å; K35-Q39 VanDerWaalsContact O-CG 3.32Å; K35-Q39 WeakPolarHBondContact O-CG 3.49Å; K35-Q39 PolarHBondContact O-N 3.38Å; F36-Q39 PolarHBondContact O-N 2.81Å; Q39-L122 HydrophobicContact CB-CD1 4.1Å; Q39-L122 VanDerWaalsContact O-CD1 3.29Å; Q39-L122 WeakPolarHBondContact O-CD1 3.24Å; Q39-Y123 HydrophobicContact CB-CE1 4.47Å; Q39-Y123 PolarHBondContact OE1-OH 2.88Å
40H98.1Very high97.1Very high0 Ų065.6 Ų65.60%032%0.316CS..THydrogen-bonded Turntrans-97.216.9174.3-58.588.2000112.8F36 A37 E38 F42 W112 Q119 L122 Y123F36-H40 AromaticContact CD1-ND1 3.81Å; F36-H40 AromaticContact CD2-CE1 3.53Å; F36-H40 AromaticContact CD2-ND1 3.68Å; F36-H40 AromaticContact CE1-ND1 3.73Å; F36-H40 AromaticContact CE2-CE1 3.19Å; F36-H40 WeakPolarHBondContact CE2-CE1 3.39Å; F36-H40 AromaticContact CE2-ND1 3.6Å; F36-H40 AromaticContact CE2-NE2 3.96Å; F36-H40 AromaticContact CG-ND1 3.77Å; F36-H40 AromaticContact CZ-CE1 3.52Å; F36-H40 AromaticContact CZ-ND1 3.62Å; F36-H40 WeakPolarHBondContact O-CB 3.29Å; F36-H40 PolarHBondContact O-N 3.32Å; F36-H40 PolarHBondContact O-ND1 3.23Å; A37-H40 CarbonylContact O-C 3.54Å; E38-H40 VanDerWaalsContact C-N 3.27Å; E38-H40 PolarHBondContact O-N 2.86Å; H40-F42 VanDerWaalsContact C-N 3.29Å; H40-F42 HydrophobicContact CB-CD1 3.97Å; H40-F42 HydrophobicContact CB-CE1 3.71Å; H40-F42 PolarHBondContact O-N 2.93Å; H40-F42 VanDerWaalsContact O-N 3.16Å; H40-W112 HydrophobicContact CB-CH2 4.07Å; H40-W112 HydrophobicContact CB-CZ2 4.47Å; H40-W112 AromaticContact CD2-CH2 3.65Å; H40-W112 AromaticContact CD2-CZ2 3.61Å; H40-W112 AromaticContact CG-CH2 3.87Å; H40-Q119 VanDerWaalsContact C-NE2 3.29Å; H40-Q119 PolarHBondContact O-NE2 2.93Å; H40-L122 WeakPolarHBondContact NE2-CB 3.39Å; H40-L122 PolarHBondContact NE2-N 3.03Å; H40-Y123 AromaticContact CE1-CE1 3.68Å
41Q97.2Very high97.1Very high154 Ų15466.7 Ų66.772%0.7232%0.321SS*.THydrogen-bonded Turntrans50.247169.5-58.3177.8-33.500113.4A37 E38A37-Q41 PolarHBondContact O-N 3.17Å; E38-Q41 PolarHBondContact O-N 2.67Å
42F98Very high97.2Very high27 Ų2759.1 Ų59.112%0.11830%0.299CS..  trans-63.9138.9177.7-78.517.1000110.2F36 A37 H40 D47 A50 W112 F116F36-F42 AromaticContact CD1-CZ 3.99Å; F36-F42 HydrophobicContact CD1-CZ 3.99Å; F36-F42 HydrophobicContact CE1-CE1 4.25Å; F36-F42 AromaticContact CE1-CZ 3.78Å; F36-F42 HydrophobicContact CE1-CZ 3.78Å; A37-F42 HydrophobicContact CB-CB 3.96Å; A37-F42 HydrophobicContact CB-CD2 3.59Å; A37-F42 HydrophobicContact CB-CE2 4.22Å; A37-F42 HydrophobicContact CB-CG 3.82Å; A37-F42 PolarHBondContact O-N 3Å; H40-F42 VanDerWaalsContact C-N 3.29Å; H40-F42 HydrophobicContact CB-CD1 3.97Å; H40-F42 HydrophobicContact CB-CE1 3.71Å; H40-F42 PolarHBondContact O-N 2.93Å; H40-F42 VanDerWaalsContact O-N 3.16Å; F42-D47 VanDerWaalsContact CA-OD2 3.28Å; F42-D47 WeakPolarHBondContact CA-OD2 3.49Å; F42-D47 HydrophobicContact CB-CB 4.05Å; F42-D47 HydrophobicContact CD2-CB 4.38Å; F42-D47 HydrophobicContact CG-CB 4.25Å; F42-A50 HydrophobicContact CD2-CB 3.69Å; F42-A50 HydrophobicContact CE1-CB 4.38Å; F42-A50 HydrophobicContact CE2-CB 3.21Å; F42-A50 HydrophobicContact CG-CB 4.46Å; F42-A50 HydrophobicContact CZ-CB 3.6Å; F42-W112 HydrophobicContact CE1-CH2 4.18Å; F42-F116 HydrophobicContact CD1-CE1 4.01Å; F42-F116 HydrophobicContact CD1-CZ 4.29Å; F42-F116 AromaticContact CE1-CE1 3.46Å; F42-F116 HydrophobicContact CE1-CE1 3.46Å; F42-F116 VanDerWaalsContact CE1-CE1 3.46Å; F42-F116 AromaticContact CE1-CZ 3.45Å; F42-F116 HydrophobicContact CE1-CZ 3.45Å; F42-F116 VanDerWaalsContact CE1-CZ 3.45Å; F42-F116 HydrophobicContact CZ-CE1 4.19Å; F42-F116 AromaticContact CZ-CZ 3.7Å; F42-F116 HydrophobicContact CZ-CZ 3.7Å
43A97.4Very high97.4Very high52 Ų5253.5 Ų53.543%0.4327%0.269SS..  trans-58.5147.1170.700000110.7N46 D47A43-N46 WeakPolarHBondContact CB-O 3.35Å; A43-N46 CarbonylContact O-C 3.6Å; A43-D47 HydrophobicContact CB-CB 4.02Å; A43-D47 PolarHBondContact N-OD2 3.41Å
44K96.3Very high97.5Very high62 Ų6253.2 Ų53.227%0.2727%0.268SS..SBendtrans-122.1138179.4-60.7-61.4-177.3-174.30109.3W162 Q166K44-W162 HydrophobicContact CB-CB 4.42Å; K44-W162 HydrophobicContact CB-CD2 3.5Å; K44-W162 HydrophobicContact CB-CE3 3.93Å; K44-W162 HydrophobicContact CB-CG 3.72Å; K44-W162 HydrophobicContact CB-CZ2 4.22Å; K44-W162 HydrophobicContact CB-CZ3 4.44Å; K44-W162 HydrophobicContact CD-CZ2 3.79Å; K44-W162 HydrophobicContact CG-CD2 3.97Å; K44-W162 HydrophobicContact CG-CE3 4.26Å; K44-W162 HydrophobicContact CG-CH2 4.02Å; K44-W162 HydrophobicContact CG-CZ2 3.71Å; K44-W162 HydrophobicContact CG-CZ3 4.28Å; K44-Q166 PolarHBondContact O-NE2 3.47Å
45P95.6Very high97.7Very high35 Ų3547.1 Ų47.123%0.22724%0.242CC..SBendcis-75.8-25.36.731.2-38000114.8N158 W162P45-N158 HydrophobicContact CB-CB 3.98Å; P45-W162 HydrophobicContact CB-CB 4.37Å; P45-W162 HydrophobicContact CB-CG 4.39Å
46N97.2Very high97.8Very high39 Ų3944.1 Ų44.121%0.20923%0.228CC..  trans-129.4148.6-176-59.6-63.7000110.9A43 L51 N155A43-N46 WeakPolarHBondContact CB-O 3.35Å; A43-N46 CarbonylContact O-C 3.6Å; N46-L51 HydrophobicContact CB-CD1 4.38Å; N46-N155 PolarHBondContact ND2-OD1 3.45Å
47D97.9Very high97.8Very high10 Ų1044 Ų445%0.05323%0.227CC..  trans-120.1111174.2-167.4-44.9000110.1F42 A43 R49 A50 L51F42-D47 VanDerWaalsContact CA-OD2 3.28Å; F42-D47 WeakPolarHBondContact CA-OD2 3.49Å; F42-D47 HydrophobicContact CB-CB 4.05Å; F42-D47 HydrophobicContact CD2-CB 4.38Å; F42-D47 HydrophobicContact CG-CB 4.25Å; A43-D47 HydrophobicContact CB-CB 4.02Å; A43-D47 PolarHBondContact N-OD2 3.41Å; D47-R49 PolarHBondContact O-N 2.85Å; D47-R49 WeakPolarHBondContact OD1-CA 3.3Å; D47-R49 WeakPolarHBondContact OD1-CB 3.29Å; D47-R49 WeakPolarHBondContact OD1-CG 3.24Å; D47-R49 IonicContact OD1-CZ 3.39Å; D47-R49 PolarHBondContact OD1-N 3.32Å; D47-R49 IonicContact OD1-NE 3.11Å; D47-R49 PolarHBondContact OD1-NE 3.32Å; D47-R49 VanDerWaalsContact OD1-NE 3.09Å; D47-R49 IonicContact OD1-NH2 3.94Å; D47-R49 IonicContact OD2-CZ 3.93Å; D47-R49 IonicContact OD2-NE 3.9Å; D47-R49 PolarHBondContact OD2-NE 3.4Å; D47-R49 IonicContact OD2-NH2 3.67Å; D47-R49 PolarHBondContact OD2-NH2 3.09Å; D47-A50 HydrophobicContact CB-CB 4.02Å; D47-A50 WeakPolarHBondContact O-CB 3.37Å; D47-A50 PolarHBondContact O-N 3.11Å; D47-A50 VanDerWaalsContact O-N 3.13Å; D47-A50 PolarHBondContact OD1-N 3.12Å; D47-L51 WeakPolarHBondContact O-CG 3.38Å; D47-L51 PolarHBondContact O-N 3.34Å
48D98Very high97.9Very high102 Ų10243.7 Ų43.755%0.54522%0.224SC..Hα-helixtrans-62.8-27.9-178.1-70.3-30.8000112.9G52 H206D48-G52 WeakPolarHBondContact O-CA 3.44Å; D48-G52 PolarHBondContact O-N 2.94Å; D48-H206 IonicContact OD1-CD2 3.53Å; D48-H206 IonicContact OD1-CE1 3.01Å; D48-H206 IonicContact OD1-NE2 2.67Å; D48-H206 PolarHBondContact OD1-NE2 3.25Å
49R98.3Very high97.9Very high79 Ų7941 Ų4130%0.29821%0.208SC..Hα-helixtrans-67-45.1176-52.4172.2-65.3163.41.9109.7D47 L53 F115 F116D47-R49 PolarHBondContact O-N 2.85Å; D47-R49 WeakPolarHBondContact OD1-CA 3.3Å; D47-R49 WeakPolarHBondContact OD1-CB 3.29Å; D47-R49 WeakPolarHBondContact OD1-CG 3.24Å; D47-R49 IonicContact OD1-CZ 3.39Å; D47-R49 PolarHBondContact OD1-N 3.32Å; D47-R49 IonicContact OD1-NE 3.11Å; D47-R49 PolarHBondContact OD1-NE 3.32Å; D47-R49 VanDerWaalsContact OD1-NE 3.09Å; D47-R49 IonicContact OD1-NH2 3.94Å; D47-R49 IonicContact OD2-CZ 3.93Å; D47-R49 IonicContact OD2-NE 3.9Å; D47-R49 PolarHBondContact OD2-NE 3.4Å; D47-R49 IonicContact OD2-NH2 3.67Å; D47-R49 PolarHBondContact OD2-NH2 3.09Å; R49-L53 WeakPolarHBondContact O-CB 3.04Å; R49-L53 PolarHBondContact O-N 3.4Å; R49-F115 HydrophobicContact CB-CB 4.35Å; R49-F115 WeakPolarHBondContact CB-O 3.4Å; R49-F115 WeakPolarHBondContact CD-O 3.22Å; R49-F115 WeakPolarHBondContact CG-O 3.35Å; R49-F116 HydrophobicContact CB-CD1 4.42Å; R49-F116 HydrophobicContact CB-CD2 4.49Å; R49-F116 HydrophobicContact CB-CE1 4.1Å; R49-F116 HydrophobicContact CB-CE2 4.17Å; R49-F116 HydrophobicContact CB-CZ 3.96Å
50A98.1Very high98Very high9 Ų937.2 Ų37.27%0.07419%0.191CC..Hα-helixtrans-65-47.8178.500000111.8F42 D47 G52 L53 M54 F116F42-A50 HydrophobicContact CD2-CB 3.69Å; F42-A50 HydrophobicContact CE1-CB 4.38Å; F42-A50 HydrophobicContact CE2-CB 3.21Å; F42-A50 HydrophobicContact CG-CB 4.46Å; F42-A50 HydrophobicContact CZ-CB 3.6Å; D47-A50 HydrophobicContact CB-CB 4.02Å; D47-A50 WeakPolarHBondContact O-CB 3.37Å; D47-A50 PolarHBondContact O-N 3.11Å; D47-A50 VanDerWaalsContact O-N 3.13Å; D47-A50 PolarHBondContact OD1-N 3.12Å; A50-G52 VanDerWaalsContact C-N 3.34Å; A50-G52 PolarHBondContact O-N 3.09Å; A50-L53 PolarHBondContact O-N 3.18Å; A50-M54 VanDerWaalsContact O-CG 3.31Å; A50-M54 WeakPolarHBondContact O-CG 3.35Å; A50-M54 PolarHBondContact O-N 2.82Å; A50-F116 HydrophobicContact CB-CZ 4.07Å
51L98.3Very high98Very high27 Ų2737.2 Ų37.214%0.14119%0.191CC..Hα-helixtrans-65.5-38.6178.9-64.5176.9000111.9N46 D47 M54 S55 V205N46-L51 HydrophobicContact CB-CD1 4.38Å; D47-L51 WeakPolarHBondContact O-CG 3.38Å; D47-L51 PolarHBondContact O-N 3.34Å; L51-M54 PolarHBondContact O-N 3.25Å; L51-S55 WeakPolarHBondContact O-CB 3.32Å; L51-S55 PolarHBondContact O-N 3.21Å; L51-S55 PolarHBondContact O-OG 2.97Å; L51-V205 HydrophobicContact CB-CG1 4.43Å; L51-V205 HydrophobicContact CD1-CG1 3.84Å
52G98.4Very high98.1Very high21 Ų2129.9 Ų29.922%0.21616%0.157CC..Hα-helixtrans-61-45.4172.600000112.3D48 A50 S55 R56 F115D48-G52 WeakPolarHBondContact O-CA 3.44Å; D48-G52 PolarHBondContact O-N 2.94Å; A50-G52 VanDerWaalsContact C-N 3.34Å; A50-G52 PolarHBondContact O-N 3.09Å; G52-S55 PolarHBondContact O-N 3Å; G52-R56 WeakPolarHBondContact O-CB 3.48Å; G52-R56 PolarHBondContact O-N 3.38Å; G52-F115 WeakPolarHBondContact O-CE1 3.39Å; G52-F115 WeakPolarHBondContact O-CZ 3.19Å
53L98.7Very high98Very high0 Ų032.8 Ų32.80%017%0.17CC..Hα-helixtrans-64.9-42.4177.517960.4000112.4R49 A50 S55 R56 S57 Y108 W112 F115 F116R49-L53 WeakPolarHBondContact O-CB 3.04Å; R49-L53 PolarHBondContact O-N 3.4Å; A50-L53 PolarHBondContact O-N 3.18Å; L53-S55 VanDerWaalsContact C-N 3.32Å; L53-S55 PolarHBondContact O-N 3.26Å; L53-R56 PolarHBondContact O-N 3.01Å; L53-S57 WeakPolarHBondContact O-CB 3.34Å; L53-S57 PolarHBondContact O-N 2.94Å; L53-S57 PolarHBondContact O-OG 2.67Å; L53-Y108 HydrophobicContact CD2-CD1 3.89Å; L53-Y108 HydrophobicContact CD2-CD2 3.94Å; L53-Y108 HydrophobicContact CD2-CE1 3.63Å; L53-Y108 HydrophobicContact CD2-CE2 3.66Å; L53-Y108 HydrophobicContact CD2-CG 4.05Å; L53-Y108 HydrophobicContact CG-CD2 3.85Å; L53-Y108 HydrophobicContact CG-CE2 3.82Å; L53-Y108 HydrophobicContact CG-CG 4.24Å; L53-W112 HydrophobicContact CD2-CD2 4.35Å; L53-W112 HydrophobicContact CD2-CE3 3.47Å; L53-W112 VanDerWaalsContact CD2-CE3 3.47Å; L53-W112 HydrophobicContact CD2-CZ3 4.06Å; L53-F115 HydrophobicContact CB-CB 4.15Å; L53-F115 HydrophobicContact CB-CD1 4.46Å; L53-F115 HydrophobicContact CB-CD2 3.95Å; L53-F115 HydrophobicContact CB-CG 3.91Å; L53-F115 HydrophobicContact CD1-CD2 3.78Å; L53-F115 HydrophobicContact CD1-CE2 4.25Å; L53-F115 HydrophobicContact CG-CD2 4.46Å; L53-F116 HydrophobicContact CB-CE2 4.33Å; L53-F116 HydrophobicContact CD2-CD2 4.07Å; L53-F116 HydrophobicContact CD2-CE2 3.72Å
54M98.6Very high98Very high7 Ų736.6 Ų36.63%0.03418%0.18CC..Hα-helixtrans-58-46.8173.5-71.8-69.4-71.500110.7A50 L51 S57 A58 D76 F104 Y108 F127A50-M54 VanDerWaalsContact O-CG 3.31Å; A50-M54 WeakPolarHBondContact O-CG 3.35Å; A50-M54 PolarHBondContact O-N 2.82Å; L51-M54 PolarHBondContact O-N 3.25Å; M54-S57 PolarHBondContact O-N 3.45Å; M54-A58 WeakPolarHBondContact O-CB 3.4Å; M54-A58 PolarHBondContact O-N 3.21Å; M54-D76 VanDerWaalsContact CE-C 3.41Å; M54-D76 WeakPolarHBondContact CE-O 3.46Å; M54-F104 HydrophobicContact CB-CZ 4.47Å; M54-F104 HydrophobicContact CE-CE1 4.03Å; M54-F104 HydrophobicContact CE-CZ 3.62Å; M54-F104 HydrophobicContact SD-CE1 3.75Å; M54-F104 HydrophobicContact SD-CZ 3.6Å; M54-F104 VanDerWaalsContact SD-CZ 3.6Å; M54-Y108 HydrophobicContact CG-CE2 4.15Å; M54-Y108 HydrophobicContact SD-CD2 3.97Å; M54-Y108 HydrophobicContact SD-CE2 3.6Å; M54-Y108 VanDerWaalsContact SD-CE2 3.6Å; M54-F127 HydrophobicContact CE-CE1 4.35Å; M54-F127 HydrophobicContact SD-CE1 4.11Å; M54-F127 HydrophobicContact SD-CZ 4.39Å
55S98.6Very high98.1Very high20 Ų2034.5 Ų34.514%0.1417%0.171CC..Hα-helixtrans-65.5-40.2179-58.50000112.5L51 G52 L53 S57 A58 R59L51-S55 WeakPolarHBondContact O-CB 3.32Å; L51-S55 PolarHBondContact O-N 3.21Å; L51-S55 PolarHBondContact O-OG 2.97Å; G52-S55 PolarHBondContact O-N 3Å; L53-S55 VanDerWaalsContact C-N 3.32Å; L53-S55 PolarHBondContact O-N 3.26Å; S55-S57 VanDerWaalsContact C-N 3.33Å; S55-A58 PolarHBondContact O-N 3.29Å; S55-R59 WeakPolarHBondContact O-CB 3.42Å; S55-R59 PolarHBondContact O-N 3.38Å
56R98.6Very high98Very high55 Ų5539 Ų3921%0.20819%0.189CC..Hα-helixtrans-64-40.8175.3176.560.8-169.3127.2-10111.7G52 L53 R59 S60 E63 Y111 F115G52-R56 WeakPolarHBondContact O-CB 3.48Å; G52-R56 PolarHBondContact O-N 3.38Å; L53-R56 PolarHBondContact O-N 3.01Å; R56-R59 PolarHBondContact O-N 2.95Å; R56-S60 PolarHBondContact O-N 2.93Å; R56-E63 IonicContact NH1-OE2 3.71Å; R56-E63 PolarHBondContact NH1-OE2 2.86Å; R56-Y111 HydrophobicContact CG-CD1 4.3Å; R56-Y111 HydrophobicContact CG-CD2 3.69Å; R56-Y111 HydrophobicContact CG-CE2 4.21Å; R56-Y111 HydrophobicContact CG-CG 3.76Å; R56-Y111 VanDerWaalsContact NH2-CZ 3.34Å; R56-Y111 PolarHBondContact NH2-OH 3.27Å; R56-F115 HydrophobicContact CB-CE2 3.68Å; R56-F115 HydrophobicContact CB-CZ 3.64Å; R56-F115 HydrophobicContact CG-CE2 3.93Å; R56-F115 HydrophobicContact CG-CZ 4.22Å
57S98.7Very high97.9Very high0 Ų039.1 Ų39.10%019%0.19CC..Hα-helixtrans-65.9-44.6178-56.50000111.1L53 M54 S55 R59 S60 V61 Y108L53-S57 WeakPolarHBondContact O-CB 3.34Å; L53-S57 PolarHBondContact O-N 2.94Å; L53-S57 PolarHBondContact O-OG 2.67Å; M54-S57 PolarHBondContact O-N 3.45Å; S55-S57 VanDerWaalsContact C-N 3.33Å; S57-R59 VanDerWaalsContact C-N 3.35Å; S57-R59 PolarHBondContact O-N 3.31Å; S57-S60 PolarHBondContact O-N 3.36Å; S57-V61 WeakPolarHBondContact O-CG2 3.38Å; S57-V61 PolarHBondContact O-N 3.49Å; S57-V61 VanDerWaalsContact O-N 3.07Å; S57-Y108 WeakPolarHBondContact OG-CA 3.41Å; S57-Y108 PolarHBondContact OG-N 3.29Å
58A98.8Very high97.9Very high0 Ų038.9 Ų38.90%019%0.188CC..Hα-helixtrans-62.4-4017400000112.9M54 S55 S60 V61 M62 F78 F80 F104 L212M54-A58 WeakPolarHBondContact O-CB 3.4Å; M54-A58 PolarHBondContact O-N 3.21Å; S55-A58 PolarHBondContact O-N 3.29Å; A58-S60 VanDerWaalsContact C-N 3.31Å; A58-S60 PolarHBondContact O-N 3.5Å; A58-V61 WeakPolarHBondContact O-CB 3.43Å; A58-V61 PolarHBondContact O-N 2.85Å; A58-M62 PolarHBondContact O-N 3.04Å; A58-F78 HydrophobicContact CB-CD1 3.66Å; A58-F78 HydrophobicContact CB-CD2 3.55Å; A58-F78 HydrophobicContact CB-CE1 3.45Å; A58-F78 VanDerWaalsContact CB-CE1 3.45Å; A58-F78 HydrophobicContact CB-CE2 3.32Å; A58-F78 HydrophobicContact CB-CG 3.73Å; A58-F78 HydrophobicContact CB-CZ 3.28Å; A58-F80 HydrophobicContact CB-CE1 3.81Å; A58-F80 HydrophobicContact CB-CZ 3.79Å; A58-F104 HydrophobicContact CB-CE2 3.98Å; A58-L212 HydrophobicContact CB-CD1 3.64Å
59R98.6Very high97.9Very high78 Ų7835.2 Ų35.229%0.29417%0.17SC..Hα-helixtrans-57.9-45173.1178.9178.3-65.71562.6111.1S55 R56 S57 V61 M62 E63 L212 V244S55-R59 WeakPolarHBondContact O-CB 3.42Å; S55-R59 PolarHBondContact O-N 3.38Å; R56-R59 PolarHBondContact O-N 2.95Å; S57-R59 VanDerWaalsContact C-N 3.35Å; S57-R59 PolarHBondContact O-N 3.31Å; R59-V61 VanDerWaalsContact C-N 3.31Å; R59-V61 PolarHBondContact O-N 3.2Å; R59-M62 PolarHBondContact O-N 3.36Å; R59-E63 WeakPolarHBondContact CD-OE1 3.13Å; R59-E63 HydrophobicContact CG-CG 4.15Å; R59-E63 WeakPolarHBondContact CG-OE1 3.46Å; R59-E63 WeakPolarHBondContact O-CB 3.2Å; R59-E63 VanDerWaalsContact O-CG 3.28Å; R59-E63 WeakPolarHBondContact O-CG 3.28Å; R59-E63 PolarHBondContact O-N 2.98Å; R59-L212 HydrophobicContact CB-CD1 4.44Å; R59-V244 HydrophobicContact CG-CB 4.02Å; R59-V244 HydrophobicContact CG-CG1 4.16Å; R59-V244 PolarHBondContact NE-O 3.45Å
60S98.4Very high97.9Very high4 Ų431.4 Ų31.43%0.02816%0.155CC..Hα-helixtrans-62-38.6176.6-178.80000112.3R56 S57 A58 M62 E63 E64 Q103 S107R56-S60 PolarHBondContact O-N 2.93Å; S57-S60 PolarHBondContact O-N 3.36Å; A58-S60 VanDerWaalsContact C-N 3.31Å; A58-S60 PolarHBondContact O-N 3.5Å; S60-M62 PolarHBondContact O-N 3.43Å; S60-E63 PolarHBondContact O-N 3.41Å; S60-E64 WeakPolarHBondContact O-CB 3.48Å; S60-E64 VanDerWaalsContact O-CG 3.31Å; S60-E64 WeakPolarHBondContact O-CG 3.32Å; S60-E64 PolarHBondContact O-N 3.2Å; S60-Q103 PolarHBondContact OG-NE2 2.86Å; S60-S107 WeakPolarHBondContact CB-OG 3.49Å; S60-S107 PolarHBondContact OG-OG 3.09Å
61V98.7Very high97.9Very high0 Ų031 Ų310%015%0.152CC..Hα-helixtrans-59.6-46.4173.7175.80000111.1S57 A58 R59 L65 I68 F80 V100 Q103 F104S57-V61 WeakPolarHBondContact O-CG2 3.38Å; S57-V61 PolarHBondContact O-N 3.49Å; S57-V61 VanDerWaalsContact O-N 3.07Å; A58-V61 WeakPolarHBondContact O-CB 3.43Å; A58-V61 PolarHBondContact O-N 2.85Å; R59-V61 VanDerWaalsContact C-N 3.31Å; R59-V61 PolarHBondContact O-N 3.2Å; V61-L65 HydrophobicContact CG1-CD1 3.68Å; V61-L65 HydrophobicContact CG1-CG 4.27Å; V61-L65 WeakPolarHBondContact O-CB 3.35Å; V61-L65 VanDerWaalsContact O-CG 3.29Å; V61-L65 WeakPolarHBondContact O-CG 3.36Å; V61-L65 PolarHBondContact O-N 3.35Å; V61-I68 HydrophobicContact CG1-CD1 3.91Å; V61-F80 HydrophobicContact CB-CD1 4.31Å; V61-F80 HydrophobicContact CB-CE1 3.68Å; V61-F80 HydrophobicContact CB-CZ 4.02Å; V61-F80 HydrophobicContact CG1-CD1 3.79Å; V61-F80 HydrophobicContact CG1-CE1 3.65Å; V61-F80 HydrophobicContact CG1-CG 4.31Å; V61-F80 HydrophobicContact CG1-CZ 4.04Å; V61-F80 HydrophobicContact CG2-CE1 4.31Å; V61-F80 HydrophobicContact CG2-CZ 4.13Å; V61-V100 HydrophobicContact CG1-CB 4.47Å; V61-V100 HydrophobicContact CG1-CG1 4.22Å; V61-V100 HydrophobicContact CG1-CG2 4.16Å; V61-Q103 HydrophobicContact CG2-CB 4.12Å; V61-Q103 HydrophobicContact CG2-CG 4.04Å; V61-F104 HydrophobicContact CG2-CB 3.84Å; V61-F104 HydrophobicContact CG2-CD2 4.03Å; V61-F104 HydrophobicContact CG2-CG 4.45Å
62M98.4Very high98Very high0 Ų029.8 Ų29.80%015%0.145CC..Hα-helixtrans-65.9-38.3177.4-70.2-177.770.800112.5A58 R59 S60 I68 A71 F80 L212 W214 V244A58-M62 PolarHBondContact O-N 3.04Å; R59-M62 PolarHBondContact O-N 3.36Å; S60-M62 PolarHBondContact O-N 3.43Å; M62-I68 HydrophobicContact CE-CG2 4.24Å; M62-I68 HydrophobicContact CG-CB 4.38Å; M62-I68 HydrophobicContact CG-CG2 3.88Å; M62-I68 HydrophobicContact SD-CG2 4.47Å; M62-A71 HydrophobicContact CG-CB 4.3Å; M62-A71 HydrophobicContact SD-CB 3.62Å; M62-F80 HydrophobicContact CG-CD1 4.37Å; M62-L212 HydrophobicContact CE-CB 4.42Å; M62-L212 HydrophobicContact SD-CB 3.51Å; M62-L212 VanDerWaalsContact SD-CB 3.51Å; M62-L212 HydrophobicContact SD-CD1 4.12Å; M62-L212 HydrophobicContact SD-CG 4.48Å; M62-W214 HydrophobicContact CB-CZ2 4.42Å; M62-W214 WeakPolarHBondContact O-CZ2 3.35Å; M62-V244 HydrophobicContact CB-CG1 4.39Å; M62-V244 HydrophobicContact CB-CG2 3.78Å; M62-V244 HydrophobicContact CE-CG1 4.06Å; M62-V244 HydrophobicContact CE-CG2 4.27Å; M62-V244 HydrophobicContact SD-CG1 3.73Å
63E97.3Very high98Very high88 Ų8829 Ų2941%0.41114%0.137SC..Hα-helixtrans-70.8-36.1-178.8-72.3170.6156.900113R56 R59 S60 V244R56-E63 IonicContact NH1-OE2 3.71Å; R56-E63 PolarHBondContact NH1-OE2 2.86Å; R59-E63 WeakPolarHBondContact CD-OE1 3.13Å; R59-E63 HydrophobicContact CG-CG 4.15Å; R59-E63 WeakPolarHBondContact CG-OE1 3.46Å; R59-E63 WeakPolarHBondContact O-CB 3.2Å; R59-E63 VanDerWaalsContact O-CG 3.28Å; R59-E63 WeakPolarHBondContact O-CG 3.28Å; R59-E63 PolarHBondContact O-N 2.98Å; S60-E63 PolarHBondContact O-N 3.41Å; E63-V244 HydrophobicContact CG-CG2 4.07Å
64E97.4Very high97.9Very high133 Ų13329.9 Ų29.962%0.62114%0.141SC*.Hα-helixtrans-92.2-25.5-176-65.2-64.214600113.6S60 Q103S60-E64 WeakPolarHBondContact O-CB 3.48Å; S60-E64 VanDerWaalsContact O-CG 3.31Å; S60-E64 WeakPolarHBondContact O-CG 3.32Å; S60-E64 PolarHBondContact O-N 3.2Å; E64-Q103 HydrophobicContact CB-CG 4.4Å
65L97Very high97.8Very high17 Ų1732.9 Ų32.99%0.08916%0.163CC..SBendtrans-100.9152.6178.4-53.8-173.4000111.4V61 I68 W88 H99 V100V61-L65 HydrophobicContact CG1-CD1 3.68Å; V61-L65 HydrophobicContact CG1-CG 4.27Å; V61-L65 WeakPolarHBondContact O-CB 3.35Å; V61-L65 VanDerWaalsContact O-CG 3.29Å; V61-L65 WeakPolarHBondContact O-CG 3.36Å; V61-L65 PolarHBondContact O-N 3.35Å; L65-I68 HydrophobicContact CB-CD1 3.96Å; L65-I68 HydrophobicContact CD1-CD1 4.29Å; L65-W88 HydrophobicContact CB-CH2 4.06Å; L65-W88 HydrophobicContact CB-CZ2 4.45Å; L65-W88 HydrophobicContact CD1-CH2 3.89Å; L65-W88 HydrophobicContact CD1-CZ3 4.29Å; L65-W88 HydrophobicContact CD2-CH2 3.55Å; L65-W88 HydrophobicContact CD2-CZ2 3.84Å; L65-W88 HydrophobicContact CG-CH2 4.03Å; L65-H99 HydrophobicContact CD1-CB 4.4Å; L65-H99 HydrophobicContact CD2-CB 4.36Å; L65-V100 HydrophobicContact CD1-CB 4.44Å; L65-V100 HydrophobicContact CD1-CG2 3.6Å
66E93.4Very high97.7Very high129 Ų12933.7 Ų33.760%0.60317%0.166SC*.SBendtrans-92.7161-179.6-64.2179-173.600111.5I68 F82E66-I68 PolarHBondContact O-N 3.43Å; E66-I68 VanDerWaalsContact O-N 3.08Å; E66-F82 WeakPolarHBondContact O-CE1 3.48Å
67D96.4Very high97.7Very high42 Ų4231.5 Ų31.523%0.22516%0.158CC..SBendtrans65.27.2168.6-69.4-14000117.7F82 K83 T86D67-F82 HydrophobicContact CB-CD1 4.35Å; D67-F82 WeakPolarHBondContact O-CA 3.46Å; D67-K83 HydrophobicContact CB-CD 4.05Å; D67-K83 HydrophobicContact CB-CG 4.09Å; D67-K83 VanDerWaalsContact CG-NZ 3.32Å; D67-K83 PolarHBondContact O-N 3.28Å; D67-K83 WeakPolarHBondContact OD1-CE 3.48Å; D67-K83 IonicContact OD1-NZ 2.96Å; D67-K83 PolarHBondContact OD1-NZ 2.95Å; D67-K83 VanDerWaalsContact OD2-CE 3.3Å; D67-K83 WeakPolarHBondContact OD2-CE 3.44Å; D67-K83 IonicContact OD2-NZ 3.79Å; D67-T86 VanDerWaalsContact OD2-CB 3.24Å; D67-T86 WeakPolarHBondContact OD2-CB 3.44Å; D67-T86 PolarHBondContact OD2-OG1 3.48Å
68I98.1Very high97.7Very high5 Ų531.6 Ų31.63%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-77.8124.6170-55.9173.3000109.3V61 M62 L65 E66 F80 V81 F82 W214V61-I68 HydrophobicContact CG1-CD1 3.91Å; M62-I68 HydrophobicContact CE-CG2 4.24Å; M62-I68 HydrophobicContact CG-CB 4.38Å; M62-I68 HydrophobicContact CG-CG2 3.88Å; M62-I68 HydrophobicContact SD-CG2 4.47Å; L65-I68 HydrophobicContact CB-CD1 3.96Å; L65-I68 HydrophobicContact CD1-CD1 4.29Å; E66-I68 PolarHBondContact O-N 3.43Å; E66-I68 VanDerWaalsContact O-N 3.08Å; I68-F80 HydrophobicContact CD1-CB 4.31Å; I68-F80 HydrophobicContact CD1-CD1 4.23Å; I68-F80 HydrophobicContact CG2-CB 4.31Å; I68-F80 HydrophobicContact CG2-CD1 4.47Å; I68-V81 CarbonylContact C-O 3.57Å; I68-V81 WeakPolarHBondContact CA-O 3.45Å; I68-F82 HydrophobicContact CD1-CE1 4.05Å; I68-F82 HydrophobicContact CD1-CE2 4.35Å; I68-F82 HydrophobicContact CD1-CZ 3.78Å; I68-F82 HydrophobicContact CG1-CD1 3.83Å; I68-F82 HydrophobicContact CG1-CD2 4.41Å; I68-F82 HydrophobicContact CG1-CE1 3.47Å; I68-F82 VanDerWaalsContact CG1-CE1 3.47Å; I68-F82 HydrophobicContact CG1-CE2 4.08Å; I68-F82 HydrophobicContact CG1-CG 4.29Å; I68-F82 HydrophobicContact CG1-CZ 3.61Å; I68-W214 VanDerWaalsContact O-CD1 3.3Å; I68-W214 PolarHBondContact O-NE1 3.05Å
69T97Very high97.7Very high25 Ų2531.6 Ų31.615%0.15316%0.158CC..EExtended strand (participates in β ladder)trans-96.8-45.9-174.349.30000112.3V81 K83T69-V81 PolarHBondContact N-O 2.84Å; T69-V81 PolarHBondContact OG1-O 3.1Å; T69-K83 HydrophobicContact CG2-CB 3.81Å
70I98.6Very high97.7Very high0 Ų027.9 Ų27.90%014%0.144CC..EExtended strand (participates in β ladder)trans-142.5147.1178.9180166.2000108.9V81 L144 T211 L212 I213 F256 W257 V263I70-V81 HydrophobicContact CG2-CB 3.69Å; I70-V81 HydrophobicContact CG2-CG1 4.29Å; I70-V81 HydrophobicContact CG2-CG2 3.68Å; I70-V81 WeakPolarHBondContact O-CB 3.31Å; I70-V81 PolarHBondContact O-N 2.95Å; I70-L144 HydrophobicContact CD1-CD1 4.19Å; I70-L144 HydrophobicContact CG2-CD1 4.31Å; I70-T211 HydrophobicContact CD1-CG2 3.66Å; I70-T211 HydrophobicContact CG1-CG2 3.93Å; I70-L212 WeakPolarHBondContact CA-O 3.21Å; I70-I213 HydrophobicContact CB-CG2 4.1Å; I70-I213 HydrophobicContact CD1-CG2 4.01Å; I70-I213 HydrophobicContact CG1-CG2 3.84Å; I70-F256 HydrophobicContact CD1-CE1 3.93Å; I70-F256 HydrophobicContact CD1-CZ 4.08Å; I70-W257 HydrophobicContact CD1-CH2 4.18Å; I70-V263 HydrophobicContact CB-CG1 3.74Å; I70-V263 HydrophobicContact CD1-CG1 4.02Å; I70-V263 HydrophobicContact CG1-CG1 4.45Å; I70-V263 HydrophobicContact CG2-CG1 3.85Å
71A98.8Very high97.7Very high0 Ų027.7 Ų27.70%014%0.143CC..EExtended strand (participates in β ladder)trans-131.1144.9166.700000110.3M62 F78 S79 F80 T211 L212M62-A71 HydrophobicContact CG-CB 4.3Å; M62-A71 HydrophobicContact SD-CB 3.62Å; A71-F78 HydrophobicContact CB-CD1 3.95Å; A71-F78 HydrophobicContact CB-CE1 3.52Å; A71-S79 CarbonylContact C-O 3.58Å; A71-S79 WeakPolarHBondContact CA-O 3.34Å; A71-S79 VanDerWaalsContact CB-O 3.3Å; A71-S79 WeakPolarHBondContact CB-O 3.41Å; A71-F80 HydrophobicContact CB-CD1 3.64Å; A71-F80 HydrophobicContact CB-CE1 3.99Å; A71-F80 HydrophobicContact CB-CG 4.38Å; A71-T211 CarbonylContact O-C 3.56Å; A71-T211 WeakPolarHBondContact O-CA 3.25Å; A71-L212 HydrophobicContact CB-CB 4.3Å; A71-L212 PolarHBondContact N-O 3.46Å; A71-L212 PolarHBondContact O-N 2.89Å
72Y98.9Very high97.7Very high1 Ų127.7 Ų27.70%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-131.2129.7179.3177.1-99.6000110.5Q74 F78 S79 R147 Q148 C151 K208 T210 T211 I251Y72-Q74 HydrophobicContact CE1-CB 4.19Å; Y72-Q74 HydrophobicContact CE1-CG 4.1Å; Y72-F78 VanDerWaalsContact C-CE1 3.48Å; Y72-F78 CarbonylContact O-C 3.37Å; Y72-F78 WeakPolarHBondContact O-CA 3.45Å; Y72-F78 WeakPolarHBondContact O-CD1 3.29Å; Y72-S79 PolarHBondContact N-O 3.48Å; Y72-S79 PolarHBondContact O-N 3.41Å; Y72-R147 HydrophobicContact CD1-CB 3.65Å; Y72-R147 HydrophobicContact CE1-CB 3.6Å; Y72-Q148 HydrophobicContact CE2-CB 4.4Å; Y72-Q148 WeakPolarHBondContact OH-CA 3.46Å; Y72-C151 WeakPolarHBondContact OH-CB 3.3Å; Y72-K208 VanDerWaalsContact CE2-O 3.28Å; Y72-K208 WeakPolarHBondContact CE2-O 3.24Å; Y72-K208 PolarHBondContact OH-O 3.5Å; Y72-T210 WeakPolarHBondContact CA-O 3.42Å; Y72-T211 WeakPolarHBondContact CD2-OG1 3.29Å; Y72-I251 HydrophobicContact CD2-CD1 3.7Å; Y72-I251 HydrophobicContact CE2-CD1 4.1Å; Y72-I251 HydrophobicContact CG-CD1 4.2Å
73G98.6Very high97.6Very high4 Ų430.5 Ų30.54%0.04116%0.155CC..EExtended strand (participates in β ladder)trans-130.2144.1179.900000113.5E77 G209 T210G73-E77 VanDerWaalsContact CA-O 3.29Å; G73-E77 WeakPolarHBondContact CA-O 3.42Å; G73-G209 WeakPolarHBondContact O-CA 3.37Å; G73-T210 PolarHBondContact N-O 3.44Å; G73-T210 PolarHBondContact O-N 2.62Å
74Q97Very high97.5Very high20 Ų2027.6 Ų27.69%0.09314%0.14CC..EExtended strand (participates in β ladder)trans-151145.7174.867.484.36.600108.9Y72 D76 E77 D150 C151Y72-Q74 HydrophobicContact CE1-CB 4.19Å; Y72-Q74 HydrophobicContact CE1-CG 4.1Å; Q74-D76 PolarHBondContact O-N 3.15Å; Q74-D76 VanDerWaalsContact O-N 3.12Å; Q74-E77 HydrophobicContact CG-CG 3.85Å; Q74-E77 PolarHBondContact N-O 3.3Å; Q74-E77 VanDerWaalsContact N-O 3.14Å; Q74-E77 PolarHBondContact NE2-OE1 3.29Å; Q74-E77 WeakPolarHBondContact O-CG 3.3Å; Q74-E77 PolarHBondContact O-N 2.92Å; Q74-D150 PolarHBondContact NE2-OD2 2.82Å; Q74-C151 HydrophobicContact CB-CB 3.78Å; Q74-C151 HydrophobicContact CG-CB 4.01Å
75S95.8Very high97.4Very high69 Ų6925.1 Ų25.148%0.48313%0.134SC..THydrogen-bonded Turntrans50.5-119.1-177.2-174.70000111.4
76D97.3Very high97.4Very high38 Ų3824.3 Ų24.320%0.20313%0.13CC..THydrogen-bonded Turntrans-106.312.2-17956.6-36.5000112.8G30 F33 M54 Q74G30-D76 PolarHBondContact N-O 2.85Å; F33-D76 HydrophobicContact CB-CB 3.86Å; F33-D76 WeakPolarHBondContact CB-OD2 3.5Å; F33-D76 HydrophobicContact CD1-CB 3.49Å; F33-D76 VanDerWaalsContact CD1-CB 3.49Å; F33-D76 HydrophobicContact CE1-CB 4.17Å; F33-D76 HydrophobicContact CG-CB 3.78Å; M54-D76 VanDerWaalsContact CE-C 3.41Å; M54-D76 WeakPolarHBondContact CE-O 3.46Å; Q74-D76 PolarHBondContact O-N 3.15Å; Q74-D76 VanDerWaalsContact O-N 3.12Å
77E98.3Very high97.5Very high8 Ų823.7 Ų23.74%0.03714%0.136CC..EExtended strand (participates in β ladder)trans-112.8152.4175.169.5167.8-16500114R27 L28 G73 Q74 R147R27-E77 WeakPolarHBondContact CD-OE2 3.37Å; R27-E77 IonicContact CZ-OE2 3.95Å; R27-E77 IonicContact NE-OE2 3.91Å; R27-E77 PolarHBondContact NE-OE2 3.43Å; R27-E77 IonicContact NH1-OE2 2.75Å; L28-E77 CarbonylContact O-C 3.52Å; L28-E77 WeakPolarHBondContact O-CA 3.36Å; L28-E77 VanDerWaalsContact O-CB 3.25Å; L28-E77 WeakPolarHBondContact O-CB 3.27Å; G73-E77 VanDerWaalsContact CA-O 3.29Å; G73-E77 WeakPolarHBondContact CA-O 3.42Å; Q74-E77 HydrophobicContact CG-CG 3.85Å; Q74-E77 PolarHBondContact N-O 3.3Å; Q74-E77 VanDerWaalsContact N-O 3.14Å; Q74-E77 PolarHBondContact NE2-OE1 3.29Å; Q74-E77 WeakPolarHBondContact O-CG 3.3Å; Q74-E77 PolarHBondContact O-N 2.92Å; E77-R147 WeakPolarHBondContact OE1-CD 3.48Å; E77-R147 IonicContact OE1-CZ 3.41Å; E77-R147 IonicContact OE1-NH1 3.99Å; E77-R147 PolarHBondContact OE1-NH1 3Å; E77-R147 VanDerWaalsContact OE1-NH1 3.1Å; E77-R147 IonicContact OE2-NH1 3.42Å; E77-R147 PolarHBondContact OE2-NH1 2.96Å
78F98.8Very high97.5Very high2 Ų223.6 Ų23.61%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-143.8133.1170.3-132.4-70.5000111R27 L28 A58 A71 Y72 F80 F104 L212R27-F78 CarbonylContact C-O 3.57Å; R27-F78 WeakPolarHBondContact CA-O 3.42Å; L28-F78 PolarHBondContact N-O 2.93Å; L28-F78 PolarHBondContact O-N 3.43Å; A58-F78 HydrophobicContact CB-CD1 3.66Å; A58-F78 HydrophobicContact CB-CD2 3.55Å; A58-F78 HydrophobicContact CB-CE1 3.45Å; A58-F78 VanDerWaalsContact CB-CE1 3.45Å; A58-F78 HydrophobicContact CB-CE2 3.32Å; A58-F78 HydrophobicContact CB-CG 3.73Å; A58-F78 HydrophobicContact CB-CZ 3.28Å; A71-F78 HydrophobicContact CB-CD1 3.95Å; A71-F78 HydrophobicContact CB-CE1 3.52Å; Y72-F78 VanDerWaalsContact C-CE1 3.48Å; Y72-F78 CarbonylContact O-C 3.37Å; Y72-F78 WeakPolarHBondContact O-CA 3.45Å; Y72-F78 WeakPolarHBondContact O-CD1 3.29Å; F78-F80 HydrophobicContact CB-CE2 3.88Å; F78-F80 HydrophobicContact CB-CZ 4.03Å; F78-F80 HydrophobicContact CD1-CE1 4.07Å; F78-F80 HydrophobicContact CD1-CE2 4.22Å; F78-F80 AromaticContact CD1-CZ 3.81Å; F78-F80 HydrophobicContact CD1-CZ 3.81Å; F78-F80 HydrophobicContact CG-CE2 4.36Å; F78-F80 HydrophobicContact CG-CZ 4.05Å; F78-F104 HydrophobicContact CB-CE2 4.16Å; F78-F104 HydrophobicContact CD2-CE2 4.3Å; F78-F104 HydrophobicContact CG-CE2 4.38Å; F78-L212 HydrophobicContact CE1-CD1 4.04Å; F78-L212 HydrophobicContact CE1-CG 4.39Å; F78-L212 HydrophobicContact CZ-CD1 3.67Å; F78-L212 HydrophobicContact CZ-CG 3.99Å
79S98.9Very high97.4Very high0 Ų026.9 Ų26.90%015%0.146CC..EExtended strand (participates in β ladder)trans-108.1131.5176.6-58.50000110.5V26 A71 Y72 Y143V26-S79 CarbonylContact O-C 3.6Å; V26-S79 WeakPolarHBondContact O-CA 3.46Å; A71-S79 CarbonylContact C-O 3.58Å; A71-S79 WeakPolarHBondContact CA-O 3.34Å; A71-S79 VanDerWaalsContact CB-O 3.3Å; A71-S79 WeakPolarHBondContact CB-O 3.41Å; Y72-S79 PolarHBondContact N-O 3.48Å; Y72-S79 PolarHBondContact O-N 3.41Å; S79-Y143 PolarHBondContact OG-OH 3.09Å
80F98.9Very high97.4Very high0 Ų033.8 Ų33.80%017%0.174CC..EExtended strand (participates in β ladder)trans-117125.5177.4-58.3-88.5000109.8V25 V26 L28 A58 V61 M62 I68 A71 F78 V100 F104V25-F80 WeakPolarHBondContact CA-O 3.43Å; V26-F80 PolarHBondContact N-O 3.29Å; V26-F80 PolarHBondContact O-N 2.81Å; L28-F80 HydrophobicContact CD1-CE2 4.08Å; L28-F80 HydrophobicContact CG-CE2 4.25Å; A58-F80 HydrophobicContact CB-CE1 3.81Å; A58-F80 HydrophobicContact CB-CZ 3.79Å; V61-F80 HydrophobicContact CB-CD1 4.31Å; V61-F80 HydrophobicContact CB-CE1 3.68Å; V61-F80 HydrophobicContact CB-CZ 4.02Å; V61-F80 HydrophobicContact CG1-CD1 3.79Å; V61-F80 HydrophobicContact CG1-CE1 3.65Å; V61-F80 HydrophobicContact CG1-CG 4.31Å; V61-F80 HydrophobicContact CG1-CZ 4.04Å; V61-F80 HydrophobicContact CG2-CE1 4.31Å; V61-F80 HydrophobicContact CG2-CZ 4.13Å; M62-F80 HydrophobicContact CG-CD1 4.37Å; I68-F80 HydrophobicContact CD1-CB 4.31Å; I68-F80 HydrophobicContact CD1-CD1 4.23Å; I68-F80 HydrophobicContact CG2-CB 4.31Å; I68-F80 HydrophobicContact CG2-CD1 4.47Å; A71-F80 HydrophobicContact CB-CD1 3.64Å; A71-F80 HydrophobicContact CB-CE1 3.99Å; A71-F80 HydrophobicContact CB-CG 4.38Å; F78-F80 HydrophobicContact CB-CE2 3.88Å; F78-F80 HydrophobicContact CB-CZ 4.03Å; F78-F80 HydrophobicContact CD1-CE1 4.07Å; F78-F80 HydrophobicContact CD1-CE2 4.22Å; F78-F80 AromaticContact CD1-CZ 3.81Å; F78-F80 HydrophobicContact CD1-CZ 3.81Å; F78-F80 HydrophobicContact CG-CE2 4.36Å; F78-F80 HydrophobicContact CG-CZ 4.05Å; F80-V100 HydrophobicContact CD2-CG1 3.44Å; F80-V100 VanDerWaalsContact CD2-CG1 3.44Å; F80-V100 HydrophobicContact CE2-CG1 3.7Å; F80-V100 HydrophobicContact CG-CG1 4.15Å; F80-F104 HydrophobicContact CE2-CD2 4.29Å; F80-F104 AromaticContact CZ-CD2 3.85Å; F80-F104 HydrophobicContact CZ-CD2 3.85Å; F80-F104 HydrophobicContact CZ-CE2 4.18Å
81V98.8Very high97.3Very high0 Ų034.4 Ų34.40%018%0.176CC..EExtended strand (participates in β ladder)trans-106.1109.6-175.8-173.30000110.1Y23 V25 I68 T69 I70 L140 L144Y23-V81 HydrophobicContact CD1-CG1 3.76Å; Y23-V81 HydrophobicContact CE1-CG1 4.47Å; Y23-V81 HydrophobicContact CG-CG1 4.36Å; V25-V81 HydrophobicContact CG2-CG1 4.41Å; V25-V81 HydrophobicContact CG2-CG2 4.15Å; I68-V81 CarbonylContact C-O 3.57Å; I68-V81 WeakPolarHBondContact CA-O 3.45Å; T69-V81 PolarHBondContact N-O 2.84Å; T69-V81 PolarHBondContact OG1-O 3.1Å; I70-V81 HydrophobicContact CG2-CB 3.69Å; I70-V81 HydrophobicContact CG2-CG1 4.29Å; I70-V81 HydrophobicContact CG2-CG2 3.68Å; I70-V81 WeakPolarHBondContact O-CB 3.31Å; I70-V81 PolarHBondContact O-N 2.95Å; V81-L140 HydrophobicContact CB-CD1 4.48Å; V81-L140 HydrophobicContact CG1-CD1 3.7Å; V81-L140 HydrophobicContact CG1-CD2 3.75Å; V81-L140 HydrophobicContact CG1-CG 4.39Å; V81-L140 HydrophobicContact CG2-CD1 3.92Å; V81-L144 HydrophobicContact CG2-CD2 4.49Å
82F98.5Very high97.3Very high0 Ų037.8 Ų37.80%019%0.189CC..EExtended strand (participates in β ladder)trans-83.4139.6170.4-64.5-97.9000110.4I24 V26 E66 D67 I68 T86 W88 L96 V100I24-F82 HydrophobicContact CB-CB 4.17Å; I24-F82 PolarHBondContact N-O 3.16Å; I24-F82 PolarHBondContact O-N 3.33Å; V26-F82 HydrophobicContact CB-CE2 4.41Å; V26-F82 HydrophobicContact CG2-CD2 4.18Å; V26-F82 HydrophobicContact CG2-CE2 3.71Å; E66-F82 WeakPolarHBondContact O-CE1 3.48Å; D67-F82 HydrophobicContact CB-CD1 4.35Å; D67-F82 WeakPolarHBondContact O-CA 3.46Å; I68-F82 HydrophobicContact CD1-CE1 4.05Å; I68-F82 HydrophobicContact CD1-CE2 4.35Å; I68-F82 HydrophobicContact CD1-CZ 3.78Å; I68-F82 HydrophobicContact CG1-CD1 3.83Å; I68-F82 HydrophobicContact CG1-CD2 4.41Å; I68-F82 HydrophobicContact CG1-CE1 3.47Å; I68-F82 VanDerWaalsContact CG1-CE1 3.47Å; I68-F82 HydrophobicContact CG1-CE2 4.08Å; I68-F82 HydrophobicContact CG1-CG 4.29Å; I68-F82 HydrophobicContact CG1-CZ 3.61Å; F82-T86 HydrophobicContact CB-CG2 4.2Å; F82-W88 HydrophobicContact CD1-CE3 4.23Å; F82-W88 AromaticContact CE1-CE3 3.54Å; F82-W88 HydrophobicContact CE1-CE3 3.54Å; F82-W88 AromaticContact CE1-CZ3 3.53Å; F82-W88 HydrophobicContact CE1-CZ3 3.53Å; F82-W88 HydrophobicContact CZ-CE3 4.24Å; F82-W88 AromaticContact CZ-CZ3 3.81Å; F82-W88 HydrophobicContact CZ-CZ3 3.81Å; F82-L96 HydrophobicContact CD1-CD2 4.46Å; F82-L96 HydrophobicContact CE1-CD2 4.23Å; F82-L96 HydrophobicContact CZ-CD2 4.37Å; F82-V100 HydrophobicContact CE2-CG2 3.94Å; F82-V100 HydrophobicContact CZ-CG2 3.78Å
83K96.5Very high97.3Very high60 Ų6038.8 Ų38.826%0.26120%0.197SC..  trans-57.8145.6178.478-169.9-169-164.40112.2D67 T69 T85 T86 E265D67-K83 HydrophobicContact CB-CD 4.05Å; D67-K83 HydrophobicContact CB-CG 4.09Å; D67-K83 VanDerWaalsContact CG-NZ 3.32Å; D67-K83 PolarHBondContact O-N 3.28Å; D67-K83 WeakPolarHBondContact OD1-CE 3.48Å; D67-K83 IonicContact OD1-NZ 2.96Å; D67-K83 PolarHBondContact OD1-NZ 2.95Å; D67-K83 VanDerWaalsContact OD2-CE 3.3Å; D67-K83 WeakPolarHBondContact OD2-CE 3.44Å; D67-K83 IonicContact OD2-NZ 3.79Å; T69-K83 HydrophobicContact CG2-CB 3.81Å; K83-T85 VanDerWaalsContact CE-OG1 3.31Å; K83-T85 WeakPolarHBondContact CE-OG1 3.26Å; K83-T85 PolarHBondContact O-N 2.84Å; K83-T86 WeakPolarHBondContact O-CB 3.45Å; K83-T86 VanDerWaalsContact O-CG2 3.26Å; K83-T86 WeakPolarHBondContact O-CG2 3.49Å; K83-T86 PolarHBondContact O-N 3.37Å; K83-E265 WeakPolarHBondContact CA-OE2 3.45Å; K83-E265 WeakPolarHBondContact CB-OE2 3.23Å
84R95.4Very high97.3Very high26 Ų2640.2 Ų40.210%0.09821%0.207CC..THydrogen-bonded Turntrans-53.7-38.6177.9-57.5-170.4-86.8-168.9-6.9112.5C22 Y23 T86 R91 N137 E265 D266 D267C22-R84 WeakPolarHBondContact O-CA 3.22Å; Y23-R84 HydrophobicContact CD1-CG 3.73Å; Y23-R84 HydrophobicContact CD2-CG 3.52Å; Y23-R84 HydrophobicContact CE1-CG 3.72Å; Y23-R84 HydrophobicContact CE2-CG 3.5Å; Y23-R84 VanDerWaalsContact CE2-CG 3.5Å; Y23-R84 HydrophobicContact CG-CG 3.63Å; R84-T86 VanDerWaalsContact C-N 3.28Å; R84-T86 PolarHBondContact O-N 2.95Å; R84-R91 PolarHBondContact O-NH1 2.8Å; R84-N137 PolarHBondContact NH2-OD1 2.84Å; R84-E265 WeakPolarHBondContact CA-OE2 3.09Å; R84-E265 WeakPolarHBondContact CB-OE2 3.21Å; R84-E265 WeakPolarHBondContact CG-OE2 3.45Å; R84-E265 PolarHBondContact N-OE2 3.09Å; R84-E265 IonicContact NE-OE2 2.68Å; R84-E265 PolarHBondContact NH2-O 3.09Å; R84-D266 PolarHBondContact NH2-O 2.9Å; R84-D267 IonicContact CZ-OD1 3.49Å; R84-D267 IonicContact NH1-OD1 3.5Å; R84-D267 PolarHBondContact NH1-OD1 2.95Å; R84-D267 IonicContact NH2-OD1 3.49Å; R84-D267 PolarHBondContact NH2-OD1 2.9Å
85T95.5Very high97.3Very high81 Ų8142.8 Ų42.850%0.49722%0.218SC..THydrogen-bonded Turntrans-79.7-1.6-178.357.60000114.4K83 T87 E265K83-T85 VanDerWaalsContact CE-OG1 3.31Å; K83-T85 WeakPolarHBondContact CE-OG1 3.26Å; K83-T85 PolarHBondContact O-N 2.84Å; T85-T87 PolarHBondContact O-N 3.04Å; T85-E265 WeakPolarHBondContact CB-OE1 3.28Å; T85-E265 WeakPolarHBondContact CG2-OE1 3.3Å; T85-E265 PolarHBondContact N-OE1 3.34Å; T85-E265 PolarHBondContact OG1-OE1 3.08Å
86T96.4Very high97.4Very high1 Ų139.5 Ų39.51%0.00620%0.195CC..  trans-58.9137.1-176.2-170.60000112.2I24 D67 F82 K83 R84 W88 R91I24-T86 HydrophobicContact CD1-CG2 3.99Å; D67-T86 VanDerWaalsContact OD2-CB 3.24Å; D67-T86 WeakPolarHBondContact OD2-CB 3.44Å; D67-T86 PolarHBondContact OD2-OG1 3.48Å; F82-T86 HydrophobicContact CB-CG2 4.2Å; K83-T86 WeakPolarHBondContact O-CB 3.45Å; K83-T86 VanDerWaalsContact O-CG2 3.26Å; K83-T86 WeakPolarHBondContact O-CG2 3.49Å; K83-T86 PolarHBondContact O-N 3.37Å; R84-T86 VanDerWaalsContact C-N 3.28Å; R84-T86 PolarHBondContact O-N 2.95Å; T86-W88 VanDerWaalsContact OG1-CB 3.31Å; T86-W88 WeakPolarHBondContact OG1-CB 3.45Å; T86-W88 PolarHBondContact OG1-N 3.25Å; T86-W88 VanDerWaalsContact OG1-N 3.12Å; T86-R91 VanDerWaalsContact O-CD 3.32Å; T86-R91 WeakPolarHBondContact O-CD 3.48Å; T86-R91 WeakPolarHBondContact O-CG 3.45Å; T86-R91 PolarHBondContact O-NH1 3.2Å
87T96.2Very high97.5Very high116 Ų11640.6 Ų40.671%0.71220%0.199SC*.  trans-110.96.7169.657.30000111.8T85 F89 K90T85-T87 PolarHBondContact O-N 3.04Å; T87-F89 PolarHBondContact O-N 3.3Å; T87-K90 WeakPolarHBondContact O-CA 3.48Å; T87-K90 PolarHBondContact O-N 3.38Å
88W95.1Very high97.5Very high40 Ų4043.5 Ų43.515%0.15222%0.218CC..G310 helixtrans-58.9132.6-174.7-167.859.1000110.7L65 F82 T86 K90 R91 L96 H99L65-W88 HydrophobicContact CB-CH2 4.06Å; L65-W88 HydrophobicContact CB-CZ2 4.45Å; L65-W88 HydrophobicContact CD1-CH2 3.89Å; L65-W88 HydrophobicContact CD1-CZ3 4.29Å; L65-W88 HydrophobicContact CD2-CH2 3.55Å; L65-W88 HydrophobicContact CD2-CZ2 3.84Å; L65-W88 HydrophobicContact CG-CH2 4.03Å; F82-W88 HydrophobicContact CD1-CE3 4.23Å; F82-W88 AromaticContact CE1-CE3 3.54Å; F82-W88 HydrophobicContact CE1-CE3 3.54Å; F82-W88 AromaticContact CE1-CZ3 3.53Å; F82-W88 HydrophobicContact CE1-CZ3 3.53Å; F82-W88 HydrophobicContact CZ-CE3 4.24Å; F82-W88 AromaticContact CZ-CZ3 3.81Å; F82-W88 HydrophobicContact CZ-CZ3 3.81Å; T86-W88 VanDerWaalsContact OG1-CB 3.31Å; T86-W88 WeakPolarHBondContact OG1-CB 3.45Å; T86-W88 PolarHBondContact OG1-N 3.25Å; T86-W88 VanDerWaalsContact OG1-N 3.12Å; W88-K90 PolarHBondContact O-N 3.41Å; W88-R91 WeakPolarHBondContact O-CA 3.22Å; W88-R91 PolarHBondContact O-N 3.42Å; W88-L96 HydrophobicContact CD2-CD2 4.24Å; W88-L96 HydrophobicContact CE3-CD2 3.18Å; W88-L96 HydrophobicContact CZ3-CD2 3.53Å; W88-H99 HydrophobicContact CH2-CB 3.92Å
89F96.3Very high97.5Very high73 Ų7346.4 Ų46.432%0.3223%0.231SC..G310 helixtrans4632.5-170.8-69-59.4000115.7T87 R91 R92 K95 H99T87-F89 PolarHBondContact O-N 3.3Å; F89-R91 PolarHBondContact O-N 3.39Å; F89-R91 VanDerWaalsContact O-N 3.15Å; F89-R92 WeakPolarHBondContact O-CB 3.42Å; F89-R92 WeakPolarHBondContact O-CG 3.4Å; F89-R92 PolarHBondContact O-N 2.73Å; F89-K95 HydrophobicContact CB-CB 3.6Å; F89-K95 HydrophobicContact CB-CG 4.05Å; F89-K95 HydrophobicContact CD1-CB 4.4Å; F89-K95 HydrophobicContact CD1-CG 4.4Å; F89-K95 HydrophobicContact CD2-CB 3.85Å; F89-K95 HydrophobicContact CG-CB 3.72Å; F89-K95 HydrophobicContact CG-CG 4.16Å; F89-H99 AromaticContact CE2-CD2 3.47Å; F89-H99 VanDerWaalsContact CE2-CD2 3.47Å; F89-H99 WeakPolarHBondContact CE2-CD2 3.4Å; F89-H99 AromaticContact CE2-CE1 3.82Å; F89-H99 AromaticContact CE2-CG 3.84Å; F89-H99 AromaticContact CE2-NE2 3.47Å; F89-H99 WeakPolarHBondContact CE2-NE2 3.5Å; F89-H99 AromaticContact CZ-CD2 3.84Å; F89-H99 AromaticContact CZ-CE1 3.58Å; F89-H99 AromaticContact CZ-NE2 3.3Å; F89-H99 VanDerWaalsContact CZ-NE2 3.3Å; F89-H99 WeakPolarHBondContact CZ-NE2 3.49Å
90K96.6Very high97.5Very high170 Ų17046.4 Ų46.474%0.73923%0.231SC*.G310 helixtrans5527-173.4-55-179.1176.8-177.70113T17 T87 W88 R92T17-K90 WeakPolarHBondContact CG2-O 3.44Å; T87-K90 WeakPolarHBondContact O-CA 3.48Å; T87-K90 PolarHBondContact O-N 3.38Å; W88-K90 PolarHBondContact O-N 3.41Å; K90-R92 PolarHBondContact O-N 3.44Å
91R97.9Very high97.5Very high13 Ų1347.3 Ų47.35%0.04924%0.239CC..G310 helixtrans61.425.6-177.7-49.9173.964.582.7-2.2114.2T17 C18 L19 C22 I24 R84 T86 W88 F89 A93T17-R91 HydrophobicContact CG2-CB 4.38Å; C18-R91 HydrophobicContact CB-CB 4.18Å; C18-R91 WeakPolarHBondContact CB-O 3.43Å; C18-R91 PolarHBondContact N-O 3.39Å; C18-R91 PolarHBondContact O-NE 2.91Å; C18-R91 PolarHBondContact SG-O 3.34Å; L19-R91 PolarHBondContact O-NE 3.37Å; L19-R91 PolarHBondContact O-NH2 2.95Å; C22-R91 PolarHBondContact O-NH2 2.9Å; I24-R91 HydrophobicContact CD1-CB 4.28Å; R84-R91 PolarHBondContact O-NH1 2.8Å; T86-R91 VanDerWaalsContact O-CD 3.32Å; T86-R91 WeakPolarHBondContact O-CD 3.48Å; T86-R91 WeakPolarHBondContact O-CG 3.45Å; T86-R91 PolarHBondContact O-NH1 3.2Å; W88-R91 WeakPolarHBondContact O-CA 3.22Å; W88-R91 PolarHBondContact O-N 3.42Å; F89-R91 PolarHBondContact O-N 3.39Å; F89-R91 VanDerWaalsContact O-N 3.15Å; R91-A93 PolarHBondContact O-N 3.33Å
92R98.1Very high97.4Very high72 Ų7250.6 Ų50.627%0.27226%0.261SS..BIsolated β-bridgetrans-68.1117.3177-71.8-178.762.3-172.11.6111.1D16 F89 K90 S94 K95 L96D16-R92 WeakPolarHBondContact OD1-CB 3.23Å; D16-R92 IonicContact OD1-NE 3.27Å; D16-R92 PolarHBondContact OD1-NE 3.32Å; F89-R92 WeakPolarHBondContact O-CB 3.42Å; F89-R92 WeakPolarHBondContact O-CG 3.4Å; F89-R92 PolarHBondContact O-N 2.73Å; K90-R92 PolarHBondContact O-N 3.44Å; R92-S94 VanDerWaalsContact C-N 3.3Å; R92-S94 PolarHBondContact O-N 3.45Å; R92-K95 HydrophobicContact CB-CB 4.12Å; R92-K95 HydrophobicContact CB-CG 3.95Å; R92-K95 PolarHBondContact O-N 3.21Å; R92-L96 WeakPolarHBondContact O-CG 3.41Å; R92-L96 PolarHBondContact O-N 2.85Å; R92-L96 VanDerWaalsContact O-N 3.12Å
93A98.3Very high97.5Very high21 Ų2152.9 Ų52.917%0.17427%0.272CS..Hα-helixtrans-54.5-45.4-176.700000112.4D16 R91 K95 L96 M97 V131D16-A93 HydrophobicContact CB-CB 4.45Å; D16-A93 WeakPolarHBondContact O-CB 3.43Å; D16-A93 PolarHBondContact O-N 2.89Å; R91-A93 PolarHBondContact O-N 3.33Å; A93-K95 VanDerWaalsContact C-N 3.3Å; A93-K95 PolarHBondContact O-N 3.48Å; A93-L96 PolarHBondContact O-N 2.83Å; A93-M97 VanDerWaalsContact O-CB 3.29Å; A93-M97 WeakPolarHBondContact O-CB 3.48Å; A93-M97 PolarHBondContact O-N 3.33Å; A93-V131 HydrophobicContact CB-CB 4.31Å; A93-V131 HydrophobicContact CB-CG1 4.29Å; A93-V131 HydrophobicContact CB-CG2 4.16Å
94S97.9Very high97.6Very high34 Ų3450 Ų5024%0.23826%0.26CS..Hα-helixtrans-56.6-41.7176.852.60000112.3D16 R92 T98D16-S94 PolarHBondContact OD1-OG 2.95Å; D16-S94 WeakPolarHBondContact OD2-CA 3.42Å; D16-S94 WeakPolarHBondContact OD2-CB 3.43Å; D16-S94 PolarHBondContact OD2-N 3.37Å; D16-S94 PolarHBondContact OD2-OG 3.12Å; R92-S94 VanDerWaalsContact C-N 3.3Å; R92-S94 PolarHBondContact O-N 3.45Å; S94-T98 VanDerWaalsContact O-CB 3.3Å; S94-T98 WeakPolarHBondContact O-CB 3.41Å; S94-T98 VanDerWaalsContact O-CG2 3.25Å; S94-T98 WeakPolarHBondContact O-CG2 3.33Å; S94-T98 PolarHBondContact O-N 3.46Å; S94-T98 PolarHBondContact O-OG1 3.05Å
95K98Very high97.7Very high75 Ų7550.3 Ų50.333%0.32627%0.266SS..Hα-helixtrans-67.8-49.2179.1-68.9-64.9-175-178.30111.2F89 R92 A93 M97 T98 H99F89-K95 HydrophobicContact CB-CB 3.6Å; F89-K95 HydrophobicContact CB-CG 4.05Å; F89-K95 HydrophobicContact CD1-CB 4.4Å; F89-K95 HydrophobicContact CD1-CG 4.4Å; F89-K95 HydrophobicContact CD2-CB 3.85Å; F89-K95 HydrophobicContact CG-CB 3.72Å; F89-K95 HydrophobicContact CG-CG 4.16Å; R92-K95 HydrophobicContact CB-CB 4.12Å; R92-K95 HydrophobicContact CB-CG 3.95Å; R92-K95 PolarHBondContact O-N 3.21Å; A93-K95 VanDerWaalsContact C-N 3.3Å; A93-K95 PolarHBondContact O-N 3.48Å; K95-M97 PolarHBondContact O-N 3.26Å; K95-T98 PolarHBondContact O-N 3.12Å; K95-T98 PolarHBondContact O-OG1 3.08Å; K95-H99 WeakPolarHBondContact O-CB 3.38Å; K95-H99 PolarHBondContact O-CD2 2.89Å; K95-H99 PolarHBondContact O-N 3.24Å
96L98.3Very high97.9Very high0 Ų049.3 Ų49.30%026%0.262CS..Hα-helixtrans-57.2-50.4177.8-59176.6000111.3I24 V26 F82 W88 R92 A93 V100I24-L96 HydrophobicContact CB-CD1 4.34Å; I24-L96 HydrophobicContact CD1-CD1 3.48Å; I24-L96 VanDerWaalsContact CD1-CD1 3.48Å; I24-L96 HydrophobicContact CG1-CD1 4.49Å; I24-L96 HydrophobicContact CG2-CD1 3.75Å; V26-L96 HydrophobicContact CG2-CB 4.16Å; F82-L96 HydrophobicContact CD1-CD2 4.46Å; F82-L96 HydrophobicContact CE1-CD2 4.23Å; F82-L96 HydrophobicContact CZ-CD2 4.37Å; W88-L96 HydrophobicContact CD2-CD2 4.24Å; W88-L96 HydrophobicContact CE3-CD2 3.18Å; W88-L96 HydrophobicContact CZ3-CD2 3.53Å; R92-L96 WeakPolarHBondContact O-CG 3.41Å; R92-L96 PolarHBondContact O-N 2.85Å; R92-L96 VanDerWaalsContact O-N 3.12Å; A93-L96 PolarHBondContact O-N 2.83Å; L96-V100 WeakPolarHBondContact O-CB 3.47Å; L96-V100 VanDerWaalsContact O-CG2 3.26Å; L96-V100 WeakPolarHBondContact O-CG2 3.36Å; L96-V100 PolarHBondContact O-N 3.47Å; L96-V100 VanDerWaalsContact O-N 3.1Å
97M98.4Very high98Very high61 Ų6149.5 Ų49.530%0.326%0.263SS..Hα-helixtrans-61-50.7-179.7-176178.167.400112.5A93 K95 V100 A101 V131A93-M97 VanDerWaalsContact O-CB 3.29Å; A93-M97 WeakPolarHBondContact O-CB 3.48Å; A93-M97 PolarHBondContact O-N 3.33Å; K95-M97 PolarHBondContact O-N 3.26Å; M97-V100 PolarHBondContact O-N 3.41Å; M97-A101 VanDerWaalsContact O-CB 3.25Å; M97-A101 WeakPolarHBondContact O-CB 3.29Å; M97-A101 PolarHBondContact O-N 2.96Å; M97-V131 HydrophobicContact CB-CG2 3.78Å; M97-V131 HydrophobicContact CG-CG2 4.42Å
98T98.4Very high98.1Very high69 Ų6944 Ų4442%0.42323%0.229SC..Hα-helixtrans-67.4-39.7-175.950.80000112.4S94 K95 S102S94-T98 VanDerWaalsContact O-CB 3.3Å; S94-T98 WeakPolarHBondContact O-CB 3.41Å; S94-T98 VanDerWaalsContact O-CG2 3.25Å; S94-T98 WeakPolarHBondContact O-CG2 3.33Å; S94-T98 PolarHBondContact O-N 3.46Å; S94-T98 PolarHBondContact O-OG1 3.05Å; K95-T98 PolarHBondContact O-N 3.12Å; K95-T98 PolarHBondContact O-OG1 3.08Å; T98-S102 VanDerWaalsContact O-CB 3.22Å; T98-S102 WeakPolarHBondContact O-CB 3.25Å; T98-S102 PolarHBondContact O-N 3.37Å; T98-S102 PolarHBondContact O-OG 3.44Å
99H98.6Very high98.3Very high63 Ų6345.2 Ų45.229%0.29224%0.241SC..Hα-helixtrans-65.8-44176.6-84.1-91.1000112.1L65 W88 F89 K95 S102 Q103L65-H99 HydrophobicContact CD1-CB 4.4Å; L65-H99 HydrophobicContact CD2-CB 4.36Å; W88-H99 HydrophobicContact CH2-CB 3.92Å; F89-H99 AromaticContact CE2-CD2 3.47Å; F89-H99 VanDerWaalsContact CE2-CD2 3.47Å; F89-H99 WeakPolarHBondContact CE2-CD2 3.4Å; F89-H99 AromaticContact CE2-CE1 3.82Å; F89-H99 AromaticContact CE2-CG 3.84Å; F89-H99 AromaticContact CE2-NE2 3.47Å; F89-H99 WeakPolarHBondContact CE2-NE2 3.5Å; F89-H99 AromaticContact CZ-CD2 3.84Å; F89-H99 AromaticContact CZ-CE1 3.58Å; F89-H99 AromaticContact CZ-NE2 3.3Å; F89-H99 VanDerWaalsContact CZ-NE2 3.3Å; F89-H99 WeakPolarHBondContact CZ-NE2 3.49Å; K95-H99 WeakPolarHBondContact O-CB 3.38Å; K95-H99 PolarHBondContact O-CD2 2.89Å; K95-H99 PolarHBondContact O-N 3.24Å; H99-S102 PolarHBondContact O-OG 3.14Å; H99-Q103 WeakPolarHBondContact O-CB 3.39Å; H99-Q103 PolarHBondContact O-N 3.17Å
100V98.8Very high98.4Very high0 Ų048.8 Ų48.80%026%0.257CS..Hα-helixtrans-62.3-51175.8168.20000110.4V26 L28 V61 L65 F80 F82 L96 M97 S102 Q103 F104V26-V100 HydrophobicContact CB-CB 4.49Å; V26-V100 HydrophobicContact CB-CG1 4.3Å; V26-V100 HydrophobicContact CB-CG2 4.31Å; V26-V100 HydrophobicContact CG1-CB 3.91Å; V26-V100 HydrophobicContact CG1-CG1 3.75Å; V26-V100 HydrophobicContact CG1-CG2 4.25Å; V26-V100 HydrophobicContact CG2-CG2 4.39Å; L28-V100 HydrophobicContact CD1-CG1 3.84Å; L28-V100 HydrophobicContact CD2-CG1 4.16Å; L28-V100 HydrophobicContact CG-CG1 3.94Å; V61-V100 HydrophobicContact CG1-CB 4.47Å; V61-V100 HydrophobicContact CG1-CG1 4.22Å; V61-V100 HydrophobicContact CG1-CG2 4.16Å; L65-V100 HydrophobicContact CD1-CB 4.44Å; L65-V100 HydrophobicContact CD1-CG2 3.6Å; F80-V100 HydrophobicContact CD2-CG1 3.44Å; F80-V100 VanDerWaalsContact CD2-CG1 3.44Å; F80-V100 HydrophobicContact CE2-CG1 3.7Å; F80-V100 HydrophobicContact CG-CG1 4.15Å; F82-V100 HydrophobicContact CE2-CG2 3.94Å; F82-V100 HydrophobicContact CZ-CG2 3.78Å; L96-V100 WeakPolarHBondContact O-CB 3.47Å; L96-V100 VanDerWaalsContact O-CG2 3.26Å; L96-V100 WeakPolarHBondContact O-CG2 3.36Å; L96-V100 PolarHBondContact O-N 3.47Å; L96-V100 VanDerWaalsContact O-N 3.1Å; M97-V100 PolarHBondContact O-N 3.41Å; V100-S102 PolarHBondContact O-N 3.04Å; V100-Q103 PolarHBondContact O-N 3Å; V100-F104 VanDerWaalsContact O-CB 3.26Å; V100-F104 WeakPolarHBondContact O-CB 3.47Å; V100-F104 PolarHBondContact O-N 3.01Å
101A98.6Very high98.5Very high19 Ų1942.2 Ų42.216%0.15723%0.228CC..Hα-helixtrans-62.6-43.1-179.300000112.6L28 M97 S105L28-A101 HydrophobicContact CD2-CB 3.87Å; M97-A101 VanDerWaalsContact O-CB 3.25Å; M97-A101 WeakPolarHBondContact O-CB 3.29Å; M97-A101 PolarHBondContact O-N 2.96Å; A101-S105 VanDerWaalsContact O-CB 3.28Å; A101-S105 WeakPolarHBondContact O-CB 3.46Å; A101-S105 PolarHBondContact O-N 2.98Å; A101-S105 PolarHBondContact O-OG 2.76Å
102S98.5Very high98.5Very high68 Ų6842.1 Ų42.148%0.47623%0.227SC..Hα-helixtrans-68-43.8179.9650000112T98 H99 V100 S105 S106T98-S102 VanDerWaalsContact O-CB 3.22Å; T98-S102 WeakPolarHBondContact O-CB 3.25Å; T98-S102 PolarHBondContact O-N 3.37Å; T98-S102 PolarHBondContact O-OG 3.44Å; H99-S102 PolarHBondContact O-OG 3.14Å; V100-S102 PolarHBondContact O-N 3.04Å; S102-S105 PolarHBondContact O-N 2.79Å; S102-S106 WeakPolarHBondContact O-CB 3.4Å; S102-S106 PolarHBondContact O-N 2.77Å; S102-S106 PolarHBondContact O-OG 3.18Å
103Q98.8Very high98.5Very high49 Ų4945.1 Ų45.123%0.22924%0.243CC..Hα-helixtrans-68.2-38-179.8-174.660.321.600111.4S60 V61 E64 H99 V100 S106 S107S60-Q103 PolarHBondContact OG-NE2 2.86Å; V61-Q103 HydrophobicContact CG2-CB 4.12Å; V61-Q103 HydrophobicContact CG2-CG 4.04Å; E64-Q103 HydrophobicContact CB-CG 4.4Å; H99-Q103 WeakPolarHBondContact O-CB 3.39Å; H99-Q103 PolarHBondContact O-N 3.17Å; V100-Q103 PolarHBondContact O-N 3Å; Q103-S106 PolarHBondContact O-OG 3.25Å; Q103-S107 WeakPolarHBondContact O-CB 3.29Å; Q103-S107 PolarHBondContact O-N 2.87Å; Q103-S107 PolarHBondContact O-OG 3.16Å
104F98.8Very high98.5Very high0 Ų050.1 Ų50.10%026%0.262CS..Hα-helixtrans-65.9-49175.4-166.3-85.6000111.4L28 M54 A58 V61 F78 F80 V100 S106 S107 Y108 F127L28-F104 HydrophobicContact CD1-CB 3.41Å; L28-F104 VanDerWaalsContact CD1-CB 3.41Å; L28-F104 HydrophobicContact CD1-CD1 4.02Å; L28-F104 HydrophobicContact CD1-CD2 4.01Å; L28-F104 HydrophobicContact CD1-CG 3.54Å; M54-F104 HydrophobicContact CB-CZ 4.47Å; M54-F104 HydrophobicContact CE-CE1 4.03Å; M54-F104 HydrophobicContact CE-CZ 3.62Å; M54-F104 HydrophobicContact SD-CE1 3.75Å; M54-F104 HydrophobicContact SD-CZ 3.6Å; M54-F104 VanDerWaalsContact SD-CZ 3.6Å; A58-F104 HydrophobicContact CB-CE2 3.98Å; V61-F104 HydrophobicContact CG2-CB 3.84Å; V61-F104 HydrophobicContact CG2-CD2 4.03Å; V61-F104 HydrophobicContact CG2-CG 4.45Å; F78-F104 HydrophobicContact CB-CE2 4.16Å; F78-F104 HydrophobicContact CD2-CE2 4.3Å; F78-F104 HydrophobicContact CG-CE2 4.38Å; F80-F104 HydrophobicContact CE2-CD2 4.29Å; F80-F104 AromaticContact CZ-CD2 3.85Å; F80-F104 HydrophobicContact CZ-CD2 3.85Å; F80-F104 HydrophobicContact CZ-CE2 4.18Å; V100-F104 VanDerWaalsContact O-CB 3.26Å; V100-F104 WeakPolarHBondContact O-CB 3.47Å; V100-F104 PolarHBondContact O-N 3.01Å; F104-S106 PolarHBondContact O-N 3.11Å; F104-S107 PolarHBondContact O-N 3.16Å; F104-Y108 HydrophobicContact CE1-CD2 4.21Å; F104-Y108 WeakPolarHBondContact O-CB 3.43Å; F104-Y108 PolarHBondContact O-N 3.3Å; F104-F127 HydrophobicContact CD1-CD1 4.16Å; F104-F127 HydrophobicContact CD1-CD2 4.14Å; F104-F127 HydrophobicContact CD1-CE1 4.03Å; F104-F127 AromaticContact CD1-CE2 3.99Å; F104-F127 HydrophobicContact CD1-CE2 3.99Å; F104-F127 HydrophobicContact CD1-CG 4.22Å; F104-F127 AromaticContact CD1-CZ 3.93Å; F104-F127 HydrophobicContact CD1-CZ 3.93Å; F104-F127 HydrophobicContact CE1-CD1 4.06Å; F104-F127 AromaticContact CE1-CE1 3.56Å; F104-F127 HydrophobicContact CE1-CE1 3.56Å; F104-F127 HydrophobicContact CE1-CE2 4.13Å; F104-F127 AromaticContact CE1-CZ 3.6Å; F104-F127 HydrophobicContact CE1-CZ 3.6Å
105S98.6Very high98.5Very high31 Ų3151.4 Ų51.422%0.21726%0.264CS..Hα-helixtrans-63.6-42.4-177.9-55.70000112A101 S102 Y108 V109 F127A101-S105 VanDerWaalsContact O-CB 3.28Å; A101-S105 WeakPolarHBondContact O-CB 3.46Å; A101-S105 PolarHBondContact O-N 2.98Å; A101-S105 PolarHBondContact O-OG 2.76Å; S102-S105 PolarHBondContact O-N 2.79Å; S105-Y108 PolarHBondContact O-N 3.03Å; S105-V109 PolarHBondContact O-N 2.71Å; S105-F127 WeakPolarHBondContact OG-CD2 3.49Å
106S98.6Very high98.5Very high61 Ų6148.3 Ų48.343%0.42725%0.25SS..Hα-helixtrans-64.8-43.3176.663.20000111.3S102 Q103 F104 Y108 V109 F110S102-S106 WeakPolarHBondContact O-CB 3.4Å; S102-S106 PolarHBondContact O-N 2.77Å; S102-S106 PolarHBondContact O-OG 3.18Å; Q103-S106 PolarHBondContact O-OG 3.25Å; F104-S106 PolarHBondContact O-N 3.11Å; S106-Y108 PolarHBondContact O-N 3.13Å; S106-V109 PolarHBondContact O-N 2.96Å; S106-F110 WeakPolarHBondContact O-CB 3.28Å; S106-F110 PolarHBondContact O-N 2.84Å
107S98.8Very high98.4Very high4 Ų450 Ų503%0.02827%0.268CS..Hα-helixtrans-62.6-41176.6-61.60000112.1S60 Q103 F104 V109 F110 Y111S60-S107 WeakPolarHBondContact CB-OG 3.49Å; S60-S107 PolarHBondContact OG-OG 3.09Å; Q103-S107 WeakPolarHBondContact O-CB 3.29Å; Q103-S107 PolarHBondContact O-N 2.87Å; Q103-S107 PolarHBondContact O-OG 3.16Å; F104-S107 PolarHBondContact O-N 3.16Å; S107-V109 VanDerWaalsContact C-N 3.32Å; S107-V109 PolarHBondContact O-N 3.13Å; S107-F110 PolarHBondContact O-N 3.09Å; S107-Y111 WeakPolarHBondContact O-CB 3.5Å; S107-Y111 WeakPolarHBondContact O-CD2 3.48Å; S107-Y111 PolarHBondContact O-N 2.75Å
108Y98.8Very high98.3Very high0 Ų054.8 Ų54.80%029%0.289CS..Hα-helixtrans-60.2-43.4179.6-166.8-81.5000111.7F33 F36 L53 M54 S57 F104 S105 S106 W112 P125 F127F33-Y108 HydrophobicContact CZ-CE1 4.4Å; F33-Y108 HydrophobicContact CZ-CE2 4.12Å; F33-Y108 AromaticContact CZ-CZ 3.78Å; F36-Y108 HydrophobicContact CE1-CE1 4.15Å; F36-Y108 AromaticContact CZ-CE1 3.97Å; F36-Y108 HydrophobicContact CZ-CE1 3.97Å; L53-Y108 HydrophobicContact CD2-CD1 3.89Å; L53-Y108 HydrophobicContact CD2-CD2 3.94Å; L53-Y108 HydrophobicContact CD2-CE1 3.63Å; L53-Y108 HydrophobicContact CD2-CE2 3.66Å; L53-Y108 HydrophobicContact CD2-CG 4.05Å; L53-Y108 HydrophobicContact CG-CD2 3.85Å; L53-Y108 HydrophobicContact CG-CE2 3.82Å; L53-Y108 HydrophobicContact CG-CG 4.24Å; M54-Y108 HydrophobicContact CG-CE2 4.15Å; M54-Y108 HydrophobicContact SD-CD2 3.97Å; M54-Y108 HydrophobicContact SD-CE2 3.6Å; M54-Y108 VanDerWaalsContact SD-CE2 3.6Å; S57-Y108 WeakPolarHBondContact OG-CA 3.41Å; S57-Y108 PolarHBondContact OG-N 3.29Å; F104-Y108 HydrophobicContact CE1-CD2 4.21Å; F104-Y108 WeakPolarHBondContact O-CB 3.43Å; F104-Y108 PolarHBondContact O-N 3.3Å; S105-Y108 PolarHBondContact O-N 3.03Å; S106-Y108 PolarHBondContact O-N 3.13Å; Y108-W112 HydrophobicContact CD1-CE3 4.34Å; Y108-W112 AromaticContact CE1-CE3 3.71Å; Y108-W112 HydrophobicContact CE1-CE3 3.71Å; Y108-W112 AromaticContact CE1-CZ3 3.69Å; Y108-W112 HydrophobicContact CE1-CZ3 3.69Å; Y108-W112 PolarHBondContact O-N 2.86Å; Y108-P125 HydrophobicContact CD1-CG 3.53Å; Y108-P125 HydrophobicContact CE1-CG 3.84Å; Y108-P125 HydrophobicContact CG-CG 4.37Å; Y108-F127 HydrophobicContact CD2-CE2 4.44Å; Y108-F127 AromaticContact CD2-CZ 3.82Å; Y108-F127 HydrophobicContact CD2-CZ 3.82Å; Y108-F127 HydrophobicContact CE2-CZ 4.18Å; Y108-F127 HydrophobicContact CG-CE2 4.24Å; Y108-F127 HydrophobicContact CG-CZ 4.04Å
109V98.6Very high98.2Very high66 Ų6653.5 Ų53.540%0.428%0.279SS..Hα-helixtrans-70.7-43.8175.5177.50000111S105 S106 S107 W112 L121S105-V109 PolarHBondContact O-N 2.71Å; S106-V109 PolarHBondContact O-N 2.96Å; S107-V109 VanDerWaalsContact C-N 3.32Å; S107-V109 PolarHBondContact O-N 3.13Å; V109-W112 WeakPolarHBondContact O-CB 3.48Å; V109-W112 PolarHBondContact O-N 2.92Å; V109-L121 HydrophobicContact CB-CD2 4.29Å; V109-L121 HydrophobicContact CG1-CD2 3.94Å; V109-L121 HydrophobicContact CG2-CD2 3.92Å
110F98.6Very high98.1Very high148 Ų14854.7 Ų54.765%0.64929%0.292SS*.Hα-helixtrans-63.5-45.1-175.5-175.1-91.7000112.3S106 S107S106-F110 WeakPolarHBondContact O-CB 3.28Å; S106-F110 PolarHBondContact O-N 2.84Å; S107-F110 PolarHBondContact O-N 3.09Å
111Y98.7Very high98.1Very high32 Ų3256.9 Ų56.913%0.12530%0.303CS..THydrogen-bonded Turntrans-88-1.4-178.4-62.7-59000113.6R56 S107 K113 E114 F115R56-Y111 HydrophobicContact CG-CD1 4.3Å; R56-Y111 HydrophobicContact CG-CD2 3.69Å; R56-Y111 HydrophobicContact CG-CE2 4.21Å; R56-Y111 HydrophobicContact CG-CG 3.76Å; R56-Y111 VanDerWaalsContact NH2-CZ 3.34Å; R56-Y111 PolarHBondContact NH2-OH 3.27Å; S107-Y111 WeakPolarHBondContact O-CB 3.5Å; S107-Y111 WeakPolarHBondContact O-CD2 3.48Å; S107-Y111 PolarHBondContact O-N 2.75Å; Y111-K113 VanDerWaalsContact C-N 3.28Å; Y111-K113 PolarHBondContact O-N 2.95Å; Y111-E114 WeakPolarHBondContact CD1-OE1 3.42Å; Y111-E114 WeakPolarHBondContact CD1-OE2 3.38Å; Y111-E114 WeakPolarHBondContact O-CB 3.17Å; Y111-E114 PolarHBondContact O-N 2.98Å; Y111-F115 WeakPolarHBondContact O-CD2 2.93Å
112W98.7Very high98.1Very high11 Ų1160.9 Ų60.94%0.04232%0.322CS..Hα-helixtrans-49.2-48.4-177.7177.8-89000112.9F36 H40 F42 L53 Y108 V109 E114 F115 F116 Q119 L121F36-W112 AromaticContact CE1-CH2 3.93Å; F36-W112 HydrophobicContact CE1-CH2 3.93Å; F36-W112 AromaticContact CE1-CZ3 3.73Å; F36-W112 HydrophobicContact CE1-CZ3 3.73Å; F36-W112 AromaticContact CZ-CH2 3.85Å; F36-W112 HydrophobicContact CZ-CH2 3.85Å; F36-W112 AromaticContact CZ-CZ3 3.6Å; F36-W112 HydrophobicContact CZ-CZ3 3.6Å; H40-W112 HydrophobicContact CB-CH2 4.07Å; H40-W112 HydrophobicContact CB-CZ2 4.47Å; H40-W112 AromaticContact CD2-CH2 3.65Å; H40-W112 AromaticContact CD2-CZ2 3.61Å; H40-W112 AromaticContact CG-CH2 3.87Å; F42-W112 HydrophobicContact CE1-CH2 4.18Å; L53-W112 HydrophobicContact CD2-CD2 4.35Å; L53-W112 HydrophobicContact CD2-CE3 3.47Å; L53-W112 VanDerWaalsContact CD2-CE3 3.47Å; L53-W112 HydrophobicContact CD2-CZ3 4.06Å; Y108-W112 HydrophobicContact CD1-CE3 4.34Å; Y108-W112 AromaticContact CE1-CE3 3.71Å; Y108-W112 HydrophobicContact CE1-CE3 3.71Å; Y108-W112 AromaticContact CE1-CZ3 3.69Å; Y108-W112 HydrophobicContact CE1-CZ3 3.69Å; Y108-W112 PolarHBondContact O-N 2.86Å; V109-W112 WeakPolarHBondContact O-CB 3.48Å; V109-W112 PolarHBondContact O-N 2.92Å; W112-E114 PolarHBondContact O-N 3.26Å; W112-F115 PolarHBondContact O-N 3.26Å; W112-F115 VanDerWaalsContact O-N 3.12Å; W112-F116 HydrophobicContact CD2-CB 4.18Å; W112-F116 AromaticContact CD2-CD2 3.67Å; W112-F116 HydrophobicContact CD2-CD2 3.67Å; W112-F116 HydrophobicContact CD2-CE2 4.31Å; W112-F116 AromaticContact CD2-CG 4Å; W112-F116 HydrophobicContact CD2-CG 4Å; W112-F116 AromaticContact CE2-CD2 3.75Å; W112-F116 AromaticContact CE2-CG 3.56Å; W112-F116 AromaticContact CE3-CD2 3.67Å; W112-F116 HydrophobicContact CE3-CD2 3.67Å; W112-F116 AromaticContact CE3-CE2 3.85Å; W112-F116 HydrophobicContact CE3-CE2 3.85Å; W112-F116 HydrophobicContact CE3-CG 4.32Å; W112-F116 HydrophobicContact CG-CB 4.41Å; W112-F116 HydrophobicContact CG-CD2 4.33Å; W112-F116 AromaticContact CH2-CD1 3.89Å; W112-F116 HydrophobicContact CH2-CD1 3.89Å; W112-F116 AromaticContact CH2-CD2 3.89Å; W112-F116 HydrophobicContact CH2-CD2 3.89Å; W112-F116 AromaticContact CH2-CE1 3.85Å; W112-F116 HydrophobicContact CH2-CE1 3.85Å; W112-F116 AromaticContact CH2-CE2 3.85Å; W112-F116 HydrophobicContact CH2-CE2 3.85Å; W112-F116 AromaticContact CH2-CG 3.91Å; W112-F116 HydrophobicContact CH2-CG 3.91Å; W112-F116 AromaticContact CH2-CZ 3.83Å; W112-F116 HydrophobicContact CH2-CZ 3.83Å; W112-F116 HydrophobicContact CZ2-CB 3.96Å; W112-F116 AromaticContact CZ2-CD1 3.67Å; W112-F116 HydrophobicContact CZ2-CD1 3.67Å; W112-F116 AromaticContact CZ2-CD2 3.88Å; W112-F116 HydrophobicContact CZ2-CD2 3.88Å; W112-F116 HydrophobicContact CZ2-CE1 4.13Å; W112-F116 HydrophobicContact CZ2-CE2 4.32Å; W112-F116 AromaticContact CZ2-CG 3.54Å; W112-F116 HydrophobicContact CZ2-CG 3.54Å; W112-F116 HydrophobicContact CZ2-CZ 4.43Å; W112-F116 AromaticContact CZ3-CD2 3.77Å; W112-F116 HydrophobicContact CZ3-CD2 3.77Å; W112-F116 HydrophobicContact CZ3-CE1 4.4Å; W112-F116 AromaticContact CZ3-CE2 3.58Å; W112-F116 HydrophobicContact CZ3-CE2 3.58Å; W112-F116 HydrophobicContact CZ3-CG 4.27Å; W112-F116 AromaticContact CZ3-CZ 3.92Å; W112-F116 HydrophobicContact CZ3-CZ 3.92Å; W112-F116 AromaticContact NE1-CG 3.98Å; W112-F116 WeakPolarHBondContact O-CB 3.4Å; W112-F116 PolarHBondContact O-N 3.48Å; W112-Q119 PolarHBondContact NE1-O 3.02Å; W112-L121 HydrophobicContact CD2-CB 4.07Å; W112-L121 HydrophobicContact CD2-CD1 3.9Å; W112-L121 HydrophobicContact CD2-CG 4.46Å; W112-L121 HydrophobicContact CE3-CD1 3.76Å; W112-L121 HydrophobicContact CG-CB 4.09Å; W112-L121 HydrophobicContact CH2-CD1 4.02Å; W112-L121 HydrophobicContact CZ2-CD1 4.14Å; W112-L121 HydrophobicContact CZ3-CD1 3.85Å
113K98Very high98Very high136 Ų13661.2 Ų61.259%0.59131%0.313SS*.Hα-helixtrans-61.5-29.3-177.9-171.6170.1-174.9170.90113Y111 F115 G117 E118Y111-K113 VanDerWaalsContact C-N 3.28Å; Y111-K113 PolarHBondContact O-N 2.95Å; K113-F115 VanDerWaalsContact C-N 3.28Å; K113-F115 PolarHBondContact O-N 3.1Å; K113-G117 WeakPolarHBondContact O-CA 3.5Å; K113-G117 PolarHBondContact O-N 3.16Å; K113-E118 IonicContact NZ-OE1 3.91Å
114E98.1Very high98Very high126 Ų12663.9 Ų63.959%0.58934%0.335SS*.Hα-helixtrans-68.2-28.6179.3-60.3-177.1-175.700112.3Y111 W112Y111-E114 WeakPolarHBondContact CD1-OE1 3.42Å; Y111-E114 WeakPolarHBondContact CD1-OE2 3.38Å; Y111-E114 WeakPolarHBondContact O-CB 3.17Å; Y111-E114 PolarHBondContact O-N 2.98Å; W112-E114 PolarHBondContact O-N 3.26Å
115F98.3Very high97.9Very high61 Ų6164.6 Ų64.627%0.26834%0.339SS..Hα-helixtrans-105.7-34.8-176.5-68.3-91.3000113.2R49 G52 L53 R56 Y111 W112 K113R49-F115 HydrophobicContact CB-CB 4.35Å; R49-F115 WeakPolarHBondContact CB-O 3.4Å; R49-F115 WeakPolarHBondContact CD-O 3.22Å; R49-F115 WeakPolarHBondContact CG-O 3.35Å; G52-F115 WeakPolarHBondContact O-CE1 3.39Å; G52-F115 WeakPolarHBondContact O-CZ 3.19Å; L53-F115 HydrophobicContact CB-CB 4.15Å; L53-F115 HydrophobicContact CB-CD1 4.46Å; L53-F115 HydrophobicContact CB-CD2 3.95Å; L53-F115 HydrophobicContact CB-CG 3.91Å; L53-F115 HydrophobicContact CD1-CD2 3.78Å; L53-F115 HydrophobicContact CD1-CE2 4.25Å; L53-F115 HydrophobicContact CG-CD2 4.46Å; R56-F115 HydrophobicContact CB-CE2 3.68Å; R56-F115 HydrophobicContact CB-CZ 3.64Å; R56-F115 HydrophobicContact CG-CE2 3.93Å; R56-F115 HydrophobicContact CG-CZ 4.22Å; Y111-F115 WeakPolarHBondContact O-CD2 2.93Å; W112-F115 PolarHBondContact O-N 3.26Å; W112-F115 VanDerWaalsContact O-N 3.12Å; K113-F115 VanDerWaalsContact C-N 3.28Å; K113-F115 PolarHBondContact O-N 3.1Å
116F97.6Very high97.9Very high10 Ų1064.6 Ų64.64%0.04434%0.344CS..Hα-helixtrans-100.6-2.6-176.5-73.6-90000113.3F42 R49 A50 L53 W112 E118 Q119F42-F116 HydrophobicContact CD1-CE1 4.01Å; F42-F116 HydrophobicContact CD1-CZ 4.29Å; F42-F116 AromaticContact CE1-CE1 3.46Å; F42-F116 HydrophobicContact CE1-CE1 3.46Å; F42-F116 VanDerWaalsContact CE1-CE1 3.46Å; F42-F116 AromaticContact CE1-CZ 3.45Å; F42-F116 HydrophobicContact CE1-CZ 3.45Å; F42-F116 VanDerWaalsContact CE1-CZ 3.45Å; F42-F116 HydrophobicContact CZ-CE1 4.19Å; F42-F116 AromaticContact CZ-CZ 3.7Å; F42-F116 HydrophobicContact CZ-CZ 3.7Å; R49-F116 HydrophobicContact CB-CD1 4.42Å; R49-F116 HydrophobicContact CB-CD2 4.49Å; R49-F116 HydrophobicContact CB-CE1 4.1Å; R49-F116 HydrophobicContact CB-CE2 4.17Å; R49-F116 HydrophobicContact CB-CZ 3.96Å; A50-F116 HydrophobicContact CB-CZ 4.07Å; L53-F116 HydrophobicContact CB-CE2 4.33Å; L53-F116 HydrophobicContact CD2-CD2 4.07Å; L53-F116 HydrophobicContact CD2-CE2 3.72Å; W112-F116 HydrophobicContact CD2-CB 4.18Å; W112-F116 AromaticContact CD2-CD2 3.67Å; W112-F116 HydrophobicContact CD2-CD2 3.67Å; W112-F116 HydrophobicContact CD2-CE2 4.31Å; W112-F116 AromaticContact CD2-CG 4Å; W112-F116 HydrophobicContact CD2-CG 4Å; W112-F116 AromaticContact CE2-CD2 3.75Å; W112-F116 AromaticContact CE2-CG 3.56Å; W112-F116 AromaticContact CE3-CD2 3.67Å; W112-F116 HydrophobicContact CE3-CD2 3.67Å; W112-F116 AromaticContact CE3-CE2 3.85Å; W112-F116 HydrophobicContact CE3-CE2 3.85Å; W112-F116 HydrophobicContact CE3-CG 4.32Å; W112-F116 HydrophobicContact CG-CB 4.41Å; W112-F116 HydrophobicContact CG-CD2 4.33Å; W112-F116 AromaticContact CH2-CD1 3.89Å; W112-F116 HydrophobicContact CH2-CD1 3.89Å; W112-F116 AromaticContact CH2-CD2 3.89Å; W112-F116 HydrophobicContact CH2-CD2 3.89Å; W112-F116 AromaticContact CH2-CE1 3.85Å; W112-F116 HydrophobicContact CH2-CE1 3.85Å; W112-F116 AromaticContact CH2-CE2 3.85Å; W112-F116 HydrophobicContact CH2-CE2 3.85Å; W112-F116 AromaticContact CH2-CG 3.91Å; W112-F116 HydrophobicContact CH2-CG 3.91Å; W112-F116 AromaticContact CH2-CZ 3.83Å; W112-F116 HydrophobicContact CH2-CZ 3.83Å; W112-F116 HydrophobicContact CZ2-CB 3.96Å; W112-F116 AromaticContact CZ2-CD1 3.67Å; W112-F116 HydrophobicContact CZ2-CD1 3.67Å; W112-F116 AromaticContact CZ2-CD2 3.88Å; W112-F116 HydrophobicContact CZ2-CD2 3.88Å; W112-F116 HydrophobicContact CZ2-CE1 4.13Å; W112-F116 HydrophobicContact CZ2-CE2 4.32Å; W112-F116 AromaticContact CZ2-CG 3.54Å; W112-F116 HydrophobicContact CZ2-CG 3.54Å; W112-F116 HydrophobicContact CZ2-CZ 4.43Å; W112-F116 AromaticContact CZ3-CD2 3.77Å; W112-F116 HydrophobicContact CZ3-CD2 3.77Å; W112-F116 HydrophobicContact CZ3-CE1 4.4Å; W112-F116 AromaticContact CZ3-CE2 3.58Å; W112-F116 HydrophobicContact CZ3-CE2 3.58Å; W112-F116 HydrophobicContact CZ3-CG 4.27Å; W112-F116 AromaticContact CZ3-CZ 3.92Å; W112-F116 HydrophobicContact CZ3-CZ 3.92Å; W112-F116 AromaticContact NE1-CG 3.98Å; W112-F116 WeakPolarHBondContact O-CB 3.4Å; W112-F116 PolarHBondContact O-N 3.48Å; F116-E118 PolarHBondContact O-N 2.76Å; F116-Q119 HydrophobicContact CB-CB 4.29Å; F116-Q119 WeakPolarHBondContact O-CB 3.45Å; F116-Q119 PolarHBondContact O-N 2.81Å
117G96.6Very high97.9Very high36 Ų3662.9 Ų62.937%0.37133%0.328SS..THydrogen-bonded Turntrans58.2-122.7177.400000111.6K113 Q119K113-G117 WeakPolarHBondContact O-CA 3.5Å; K113-G117 PolarHBondContact O-N 3.16Å; G117-Q119 VanDerWaalsContact C-N 3.32Å
118E95.6Very high97.8Very high161 Ų16166.8 Ų66.875%0.75235%0.349SS*.THydrogen-bonded Turntrans-83.5-5.5-179.2-62.4-56.313100113.8K113 F116 P120K113-E118 IonicContact NZ-OE1 3.91Å; F116-E118 PolarHBondContact O-N 2.76Å; E118-P120 VanDerWaalsContact O-CD 3.27Å; E118-P120 WeakPolarHBondContact O-CD 3.34Å
119Q96.7Very high97.7Very high42 Ų4267.5 Ų67.520%0.19636%0.356CS..  trans-67.6117.2176-178.3179.2-12.300109.6H40 W112 F116 G117H40-Q119 VanDerWaalsContact C-NE2 3.29Å; H40-Q119 PolarHBondContact O-NE2 2.93Å; W112-Q119 PolarHBondContact NE1-O 3.02Å; F116-Q119 HydrophobicContact CB-CB 4.29Å; F116-Q119 WeakPolarHBondContact O-CB 3.45Å; F116-Q119 PolarHBondContact O-N 2.81Å; G117-Q119 VanDerWaalsContact C-N 3.32Å
120P97.1Very high97.7Very high87 Ų8770 Ų7057%0.56536%0.359SS*.  trans-72.4145.4-176.129.6-34.6000111.3E118 L122E118-P120 VanDerWaalsContact O-CD 3.27Å; E118-P120 WeakPolarHBondContact O-CD 3.34Å; P120-L122 HydrophobicContact CG-CD2 4.3Å; P120-L122 PolarHBondContact O-N 2.76Å
121L97.9Very high97.7Very high46 Ų4664.9 Ų64.924%0.24134%0.339CS..  trans-73.7112.2165.9-178.165.3000108.4F36 V109 W112 Y123F36-L121 HydrophobicContact CE2-CD1 3.82Å; F36-L121 HydrophobicContact CZ-CD1 3.57Å; V109-L121 HydrophobicContact CB-CD2 4.29Å; V109-L121 HydrophobicContact CG1-CD2 3.94Å; V109-L121 HydrophobicContact CG2-CD2 3.92Å; W112-L121 HydrophobicContact CD2-CB 4.07Å; W112-L121 HydrophobicContact CD2-CD1 3.9Å; W112-L121 HydrophobicContact CD2-CG 4.46Å; W112-L121 HydrophobicContact CE3-CD1 3.76Å; W112-L121 HydrophobicContact CG-CB 4.09Å; W112-L121 HydrophobicContact CH2-CD1 4.02Å; W112-L121 HydrophobicContact CZ2-CD1 4.14Å; W112-L121 HydrophobicContact CZ3-CD1 3.85Å; L121-Y123 WeakPolarHBondContact CD1-O 3.34Å; L121-Y123 WeakPolarHBondContact CG-O 3.42Å
122L98.1Very high97.7Very high104 Ų10465.7 Ų65.755%0.54535%0.347SS..  trans-72.2-31.2-172.4-59.6177.9000112.5Q39 H40 P120Q39-L122 HydrophobicContact CB-CD1 4.1Å; Q39-L122 VanDerWaalsContact O-CD1 3.29Å; Q39-L122 WeakPolarHBondContact O-CD1 3.24Å; H40-L122 WeakPolarHBondContact NE2-CB 3.39Å; H40-L122 PolarHBondContact NE2-N 3.03Å; P120-L122 HydrophobicContact CG-CD2 4.3Å; P120-L122 PolarHBondContact O-N 2.76Å
123Y97.8Very high97.7Very high75 Ų7568 Ų6829%0.29436%0.36SS..SBendtrans-158.2153.817659.4-84.6000110.5F36 Q39 H40 L121F36-Y123 WeakPolarHBondContact CA-OH 3.32Å; F36-Y123 HydrophobicContact CD2-CD2 4.44Å; F36-Y123 HydrophobicContact CD2-CE1 4.24Å; F36-Y123 AromaticContact CD2-CE2 3.66Å; F36-Y123 HydrophobicContact CD2-CE2 3.66Å; F36-Y123 AromaticContact CD2-CZ 3.57Å; F36-Y123 HydrophobicContact CE2-CE2 4.28Å; F36-Y123 PolarHBondContact N-OH 2.77Å; Q39-Y123 HydrophobicContact CB-CE1 4.47Å; Q39-Y123 PolarHBondContact OE1-OH 2.88Å; H40-Y123 AromaticContact CE1-CE1 3.68Å; L121-Y123 WeakPolarHBondContact CD1-O 3.34Å; L121-Y123 WeakPolarHBondContact CG-O 3.42Å
124P97.6Very high97.7Very high105 Ų10563.6 Ų63.668%0.68234%0.34SS*.  trans-66.2127177.126.8-34000110.6
125P97.5Very high97.6Very high15 Ų1561 Ų6110%0.09734%0.335CS..  trans-72.3157.9175.729.7-32.3000110.9F33 F36 Y108 F127F33-P125 HydrophobicContact CE2-CB 4.03Å; F36-P125 HydrophobicContact CD2-CB 4.18Å; F36-P125 HydrophobicContact CE2-CB 3.84Å; F36-P125 HydrophobicContact CE2-CG 4.27Å; F36-P125 HydrophobicContact CZ-CB 4.35Å; F36-P125 HydrophobicContact CZ-CG 4.48Å; Y108-P125 HydrophobicContact CD1-CG 3.53Å; Y108-P125 HydrophobicContact CE1-CG 3.84Å; Y108-P125 HydrophobicContact CG-CG 4.37Å; P125-F127 HydrophobicContact CB-CE2 4.17Å; P125-F127 HydrophobicContact CG-CE2 4.1Å
126G97.6Very high97.6Very high30 Ų3060.8 Ų60.831%0.30934%0.338SS..  trans-116.8152.2169.100000110.4R31R31-G126 VanDerWaalsContact CB-O 3.26Å; R31-G126 WeakPolarHBondContact CB-O 3.3Å; R31-G126 PolarHBondContact N-O 3.12Å
127F98.4Very high97.6Very high25 Ų2561.2 Ų61.211%0.1134%0.341CS..EExtended strand (participates in β ladder)trans-124.9131.2175.6-65.8-90.5000109.4D29 F33 M54 F104 S105 Y108 P125D29-F127 CarbonylContact O-C 3.51Å; D29-F127 VanDerWaalsContact O-CA 3.28Å; D29-F127 WeakPolarHBondContact O-CA 3.06Å; F33-F127 AromaticContact CE2-CE1 3.9Å; F33-F127 HydrophobicContact CE2-CE1 3.9Å; F33-F127 AromaticContact CE2-CZ 3.86Å; F33-F127 HydrophobicContact CE2-CZ 3.86Å; F33-F127 HydrophobicContact CZ-CE1 4.01Å; F33-F127 AromaticContact CZ-CZ 3.85Å; F33-F127 HydrophobicContact CZ-CZ 3.85Å; M54-F127 HydrophobicContact CE-CE1 4.35Å; M54-F127 HydrophobicContact SD-CE1 4.11Å; M54-F127 HydrophobicContact SD-CZ 4.39Å; F104-F127 HydrophobicContact CD1-CD1 4.16Å; F104-F127 HydrophobicContact CD1-CD2 4.14Å; F104-F127 HydrophobicContact CD1-CE1 4.03Å; F104-F127 AromaticContact CD1-CE2 3.99Å; F104-F127 HydrophobicContact CD1-CE2 3.99Å; F104-F127 HydrophobicContact CD1-CG 4.22Å; F104-F127 AromaticContact CD1-CZ 3.93Å; F104-F127 HydrophobicContact CD1-CZ 3.93Å; F104-F127 HydrophobicContact CE1-CD1 4.06Å; F104-F127 AromaticContact CE1-CE1 3.56Å; F104-F127 HydrophobicContact CE1-CE1 3.56Å; F104-F127 HydrophobicContact CE1-CE2 4.13Å; F104-F127 AromaticContact CE1-CZ 3.6Å; F104-F127 HydrophobicContact CE1-CZ 3.6Å; S105-F127 WeakPolarHBondContact OG-CD2 3.49Å; Y108-F127 HydrophobicContact CD2-CE2 4.44Å; Y108-F127 AromaticContact CD2-CZ 3.82Å; Y108-F127 HydrophobicContact CD2-CZ 3.82Å; Y108-F127 HydrophobicContact CE2-CZ 4.18Å; Y108-F127 HydrophobicContact CG-CE2 4.24Å; Y108-F127 HydrophobicContact CG-CZ 4.04Å; P125-F127 HydrophobicContact CB-CE2 4.17Å; P125-F127 HydrophobicContact CG-CE2 4.1Å
128D97.1Very high97.6Very high87 Ų8765.3 Ų65.347%0.46535%0.35SS..EExtended strand (participates in β ladder)trans-78.7148.9166.1-174.323.2000109L28 D29 R130L28-D128 CarbonylContact C-O 3.51Å; L28-D128 WeakPolarHBondContact CA-O 3.45Å; D29-D128 PolarHBondContact N-O 2.81Å; D29-D128 PolarHBondContact O-N 3.14Å; D128-R130 IonicContact OD2-NH2 2.71Å
129G97.4Very high97.7Very high14 Ų1460.3 Ų60.314%0.14433%0.328CS..EExtended strand (participates in β ladder)trans-137.2139.6-177.600000111R27R27-G129 CarbonylContact O-C 3.54Å; R27-G129 WeakPolarHBondContact O-CA 3.28Å
130R98.3Very high97.8Very high120 Ų12058.3 Ų58.345%0.45332%0.319SS..EExtended strand (participates in β ladder)trans-138.4152.7171.867.6-173.966.8-168.1-0.6111.9V26 R27 D128V26-R130 WeakPolarHBondContact CA-O 3.25Å; R27-R130 HydrophobicContact CB-CG 4.23Å; R27-R130 PolarHBondContact N-O 3.15Å; R27-R130 PolarHBondContact O-N 2.89Å; D128-R130 IonicContact OD2-NH2 2.71Å
131V98.7Very high97.8Very high40 Ų4056.7 Ų56.724%0.24230%0.302CS..EExtended strand (participates in β ladder)trans-110.5130.3177.6-174.40000109.5I24 V25 V26 A93 M97I24-V131 HydrophobicContact CG2-CG1 3.39Å; V25-V131 CarbonylContact O-C 3.6Å; V25-V131 WeakPolarHBondContact O-CA 3.44Å; V26-V131 HydrophobicContact CG2-CG2 4.29Å; A93-V131 HydrophobicContact CB-CB 4.31Å; A93-V131 HydrophobicContact CB-CG1 4.29Å; A93-V131 HydrophobicContact CB-CG2 4.16Å; M97-V131 HydrophobicContact CB-CG2 3.78Å; M97-V131 HydrophobicContact CG-CG2 4.42Å
132V98.6Very high97.9Very high48 Ų4858.2 Ų58.229%0.29131%0.31SS..EExtended strand (participates in β ladder)trans-130.9141.8178-170.80000109.3V25 Y134V25-V132 PolarHBondContact N-O 2.98Å; V25-V132 PolarHBondContact O-N 2.85Å; V132-Y134 HydrophobicContact CB-CE2 4.25Å; V132-Y134 HydrophobicContact CG1-CE1 4.16Å; V132-Y134 HydrophobicContact CG1-CE2 3.88Å
133L98.6Very high97.9Very high61 Ų6153.7 Ų53.732%0.31929%0.286SS..EExtended strand (participates in β ladder)trans-108.8132.5-178.8-56.2-176.7000110.9C18 L19 C22 Y23 I24C18-L133 HydrophobicContact CB-CD1 3.96Å; C18-L133 HydrophobicContact CB-CD2 3.71Å; C18-L133 HydrophobicContact CB-CG 4.47Å; L19-L133 HydrophobicContact CB-CD1 3.94Å; C22-L133 HydrophobicContact CB-CB 4.24Å; Y23-L133 WeakPolarHBondContact O-CA 3.18Å; I24-L133 HydrophobicContact CB-CD2 4.09Å; I24-L133 HydrophobicContact CG1-CD2 3.75Å; I24-L133 HydrophobicContact CG2-CD2 3.91Å
134Y98.3Very high98Very high43 Ų4350.1 Ų50.117%0.16927%0.272CS..EExtended strand (participates in β ladder)trans-122.8122175-64.7-67.3000110.6C22 Y23 V25 V132 N139 L140 Y143C22-Y134 CarbonylContact C-O 3.57Å; C22-Y134 WeakPolarHBondContact CA-O 3.14Å; Y23-Y134 PolarHBondContact N-O 3.02Å; Y23-Y134 PolarHBondContact O-N 3.48Å; V25-Y134 HydrophobicContact CB-CD2 4.4Å; V25-Y134 HydrophobicContact CB-CE2 4.18Å; V25-Y134 HydrophobicContact CG2-CD2 3.59Å; V25-Y134 HydrophobicContact CG2-CE2 3.73Å; V132-Y134 HydrophobicContact CB-CE2 4.25Å; V132-Y134 HydrophobicContact CG1-CE1 4.16Å; V132-Y134 HydrophobicContact CG1-CE2 3.88Å; Y134-N139 HydrophobicContact CD1-CB 3.88Å; Y134-N139 HydrophobicContact CG-CB 4.35Å; Y134-L140 HydrophobicContact CD2-CD1 4.45Å; Y134-Y143 HydrophobicContact CD2-CG 4.48Å; Y134-Y143 HydrophobicContact CE2-CD1 4.02Å; Y134-Y143 AromaticContact CE2-CD2 3.83Å; Y134-Y143 HydrophobicContact CE2-CD2 3.83Å; Y134-Y143 HydrophobicContact CE2-CE2 4.44Å; Y134-Y143 AromaticContact CE2-CG 3.55Å; Y134-Y143 HydrophobicContact CE2-CG 3.55Å; Y134-Y143 AromaticContact CZ-CD2 3.63Å; Y134-Y143 AromaticContact CZ-CG 3.68Å; Y134-Y143 WeakPolarHBondContact OH-CD2 3.39Å
135P96.8Very high98Very high72 Ų7246 Ų4647%0.46825%0.246SC..  trans-79.5-23.2-171.329.6-34.2000113.9N139P135-N139 WeakPolarHBondContact CD-OD1 3.41Å; P135-N139 WeakPolarHBondContact CG-OD1 3.32Å
136T96.9Very high98Very high56 Ų5652 Ų5234%0.34427%0.266SS..SBendtrans-128.1158.2-173.7690000112H138 N139 L140T136-H138 PolarHBondContact O-N 2.86Å; T136-N139 PolarHBondContact O-N 2.89Å; T136-N139 PolarHBondContact OG1-N 3.13Å; T136-N139 VanDerWaalsContact OG1-N 3.09Å; T136-N139 PolarHBondContact OG1-OD1 3.4Å; T136-L140 PolarHBondContact O-N 2.81Å; T136-L140 VanDerWaalsContact O-N 3.16Å
137N97.3Very high98.1Very high19 Ų1951 Ų5110%0.10225%0.253CS..Hα-helixtrans-53.9-42.6169.3-76.2-12.6000111.6Y23 R84 L140 R141 L264 E265 D267Y23-N137 VanDerWaalsContact CE2-OD1 3.22Å; Y23-N137 WeakPolarHBondContact CE2-OD1 3.2Å; Y23-N137 PolarHBondContact OH-OD1 3.26Å; R84-N137 PolarHBondContact NH2-OD1 2.84Å; N137-L140 PolarHBondContact O-N 2.98Å; N137-R141 WeakPolarHBondContact O-CG 3.49Å; N137-R141 PolarHBondContact O-N 3.49Å; N137-L264 HydrophobicContact CB-CD1 4.33Å; N137-E265 PolarHBondContact ND2-O 3.17Å; N137-D267 VanDerWaalsContact ND2-CG 3.31Å; N137-D267 PolarHBondContact ND2-OD1 3.33Å; N137-D267 VanDerWaalsContact ND2-OD1 3.09Å; N137-D267 PolarHBondContact ND2-OD2 3.18Å; N137-D267 VanDerWaalsContact ND2-OD2 3.13Å
138H97.1Very high98.1Very high121 Ų12149.9 Ų49.956%0.5625%0.249SC*.Hα-helixtrans-59.9-48.6178.3-179.151.6000112.3T136 L140 R141 D142T136-H138 PolarHBondContact O-N 2.86Å; H138-L140 VanDerWaalsContact C-N 3.29Å; H138-L140 PolarHBondContact O-N 2.88Å; H138-R141 PolarHBondContact O-N 3.16Å; H138-D142 IonicContact CD2-OD2 3.48Å; H138-D142 IonicContact CE1-OD1 3.27Å; H138-D142 PolarHBondContact CE1-OD1 3.43Å; H138-D142 IonicContact CE1-OD2 3.62Å; H138-D142 PolarHBondContact CE1-OD2 2.92Å; H138-D142 IonicContact ND1-OD1 3.4Å; H138-D142 IonicContact ND1-OD2 3.9Å; H138-D142 IonicContact NE2-OD2 3.1Å; H138-D142 PolarHBondContact NE2-OD2 2.75Å; H138-D142 PolarHBondContact O-N 3.46Å
139N98.1Very high98.1Very high56 Ų5647.5 Ų47.530%0.29924%0.241SC..Hα-helixtrans-64-35.1179.2-59.7131.9000112.8Y134 P135 T136 Y143Y134-N139 HydrophobicContact CD1-CB 3.88Å; Y134-N139 HydrophobicContact CG-CB 4.35Å; P135-N139 WeakPolarHBondContact CD-OD1 3.41Å; P135-N139 WeakPolarHBondContact CG-OD1 3.32Å; T136-N139 PolarHBondContact O-N 2.89Å; T136-N139 PolarHBondContact OG1-N 3.13Å; T136-N139 VanDerWaalsContact OG1-N 3.09Å; T136-N139 PolarHBondContact OG1-OD1 3.4Å; N139-Y143 WeakPolarHBondContact O-CB 3.47Å; N139-Y143 PolarHBondContact O-N 2.91Å
140L98.3Very high98.2Very high0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-66.8-44.8175175.964.4000111.6Y23 V25 V81 Y134 T136 N137 H138 D142 Y143 L144 L264Y23-L140 HydrophobicContact CD1-CD2 3.71Å; Y23-L140 HydrophobicContact CD2-CB 4.03Å; Y23-L140 HydrophobicContact CD2-CD2 3.78Å; Y23-L140 HydrophobicContact CD2-CG 4.45Å; Y23-L140 HydrophobicContact CE1-CD2 3.76Å; Y23-L140 HydrophobicContact CE2-CB 4.4Å; Y23-L140 HydrophobicContact CE2-CD2 3.83Å; Y23-L140 HydrophobicContact CG-CB 4.47Å; Y23-L140 HydrophobicContact CG-CD2 3.72Å; Y23-L140 HydrophobicContact CG-CG 4.49Å; V25-L140 HydrophobicContact CG2-CD1 3.97Å; V81-L140 HydrophobicContact CB-CD1 4.48Å; V81-L140 HydrophobicContact CG1-CD1 3.7Å; V81-L140 HydrophobicContact CG1-CD2 3.75Å; V81-L140 HydrophobicContact CG1-CG 4.39Å; V81-L140 HydrophobicContact CG2-CD1 3.92Å; Y134-L140 HydrophobicContact CD2-CD1 4.45Å; T136-L140 PolarHBondContact O-N 2.81Å; T136-L140 VanDerWaalsContact O-N 3.16Å; N137-L140 PolarHBondContact O-N 2.98Å; H138-L140 VanDerWaalsContact C-N 3.29Å; H138-L140 PolarHBondContact O-N 2.88Å; L140-D142 VanDerWaalsContact C-N 3.34Å; L140-Y143 WeakPolarHBondContact O-CB 3.31Å; L140-Y143 PolarHBondContact O-N 3.39Å; L140-L144 HydrophobicContact CD1-CD1 4.28Å; L140-L144 HydrophobicContact CD1-CG 4.46Å; L140-L144 HydrophobicContact CG-CD1 4.26Å; L140-L144 PolarHBondContact O-N 3.4Å; L140-L264 HydrophobicContact CD2-CD2 3.73Å
141R98.3Very high98.1Very high54 Ų5443.6 Ų43.620%0.20423%0.226CC..Hα-helixtrans-61.5-42.9176.5-72.6-17666.3-177.4-8.8111.3N137 H138 Y143 L144 S145 D254 W257 L264N137-R141 WeakPolarHBondContact O-CG 3.49Å; N137-R141 PolarHBondContact O-N 3.49Å; H138-R141 PolarHBondContact O-N 3.16Å; R141-Y143 VanDerWaalsContact C-N 3.33Å; R141-Y143 PolarHBondContact O-N 3.49Å; R141-L144 PolarHBondContact O-N 3.47Å; R141-S145 VanDerWaalsContact O-CB 3.27Å; R141-S145 WeakPolarHBondContact O-CB 3.45Å; R141-S145 PolarHBondContact O-N 2.8Å; R141-S145 PolarHBondContact O-OG 2.68Å; R141-D254 IonicContact CZ-OD1 3.88Å; R141-D254 VanDerWaalsContact CZ-OD1 3.3Å; R141-D254 IonicContact NH1-OD1 2.84Å; R141-D254 PolarHBondContact NH1-OD1 2.95Å; R141-D254 IonicContact NH2-OD1 3.26Å; R141-D254 PolarHBondContact NH2-OD1 3.41Å; R141-W257 HydrophobicContact CG-CD2 4.17Å; R141-W257 HydrophobicContact CG-CE3 4.49Å; R141-W257 HydrophobicContact CG-CH2 4.23Å; R141-W257 HydrophobicContact CG-CZ2 3.89Å; R141-W257 VanDerWaalsContact NE-CD1 3.33Å; R141-L264 HydrophobicContact CG-CD1 4.08Å
142D98.6Very high98Very high78 Ų7845.2 Ų45.242%0.41723%0.231SC..Hα-helixtrans-61.8-41.3175.5-73.8-4.3000111.7H138 L140 S145 W146H138-D142 IonicContact CD2-OD2 3.48Å; H138-D142 IonicContact CE1-OD1 3.27Å; H138-D142 PolarHBondContact CE1-OD1 3.43Å; H138-D142 IonicContact CE1-OD2 3.62Å; H138-D142 PolarHBondContact CE1-OD2 2.92Å; H138-D142 IonicContact ND1-OD1 3.4Å; H138-D142 IonicContact ND1-OD2 3.9Å; H138-D142 IonicContact NE2-OD2 3.1Å; H138-D142 PolarHBondContact NE2-OD2 2.75Å; H138-D142 PolarHBondContact O-N 3.46Å; L140-D142 VanDerWaalsContact C-N 3.34Å; D142-S145 PolarHBondContact O-N 3.04Å; D142-W146 VanDerWaalsContact O-CB 3.3Å; D142-W146 WeakPolarHBondContact O-CB 3.42Å; D142-W146 PolarHBondContact O-N 2.86Å
143Y98.8Very high97.9Very high9 Ų948 Ų484%0.03524%0.243CC..Hα-helixtrans-60.4-50175.4168.4-100.9000112V25 R27 S79 Y134 N139 L140 R141 S145 W146 R147V25-Y143 HydrophobicContact CG1-CD1 4.33Å; V25-Y143 HydrophobicContact CG1-CE1 3.55Å; V25-Y143 HydrophobicContact CG2-CD1 4.41Å; V25-Y143 HydrophobicContact CG2-CE1 4.41Å; R27-Y143 WeakPolarHBondContact CD-OH 3.37Å; S79-Y143 PolarHBondContact OG-OH 3.09Å; Y134-Y143 HydrophobicContact CD2-CG 4.48Å; Y134-Y143 HydrophobicContact CE2-CD1 4.02Å; Y134-Y143 AromaticContact CE2-CD2 3.83Å; Y134-Y143 HydrophobicContact CE2-CD2 3.83Å; Y134-Y143 HydrophobicContact CE2-CE2 4.44Å; Y134-Y143 AromaticContact CE2-CG 3.55Å; Y134-Y143 HydrophobicContact CE2-CG 3.55Å; Y134-Y143 AromaticContact CZ-CD2 3.63Å; Y134-Y143 AromaticContact CZ-CG 3.68Å; Y134-Y143 WeakPolarHBondContact OH-CD2 3.39Å; N139-Y143 WeakPolarHBondContact O-CB 3.47Å; N139-Y143 PolarHBondContact O-N 2.91Å; L140-Y143 WeakPolarHBondContact O-CB 3.31Å; L140-Y143 PolarHBondContact O-N 3.39Å; R141-Y143 VanDerWaalsContact C-N 3.33Å; R141-Y143 PolarHBondContact O-N 3.49Å; Y143-S145 VanDerWaalsContact C-N 3.32Å; Y143-S145 PolarHBondContact O-N 2.63Å; Y143-W146 AromaticContact CD2-CE3 3.86Å; Y143-W146 HydrophobicContact CD2-CE3 3.86Å; Y143-W146 HydrophobicContact CD2-CZ3 4.12Å; Y143-W146 HydrophobicContact CE2-CE3 4.06Å; Y143-W146 AromaticContact CE2-CZ3 3.96Å; Y143-W146 HydrophobicContact CE2-CZ3 3.96Å; Y143-W146 WeakPolarHBondContact O-CB 3.29Å; Y143-W146 PolarHBondContact O-N 2.61Å; Y143-R147 HydrophobicContact CE1-CG 4.07Å; Y143-R147 HydrophobicContact CE2-CG 4.04Å; Y143-R147 WeakPolarHBondContact O-CG 3.47Å; Y143-R147 PolarHBondContact O-N 2.93Å
144L98.7Very high97.8Very high0 Ų048.1 Ų48.10%024%0.244CC..Hα-helixtrans-65.8-38.3179.9-69.3170.2000111.5I70 V81 L140 R141 W146 R147 Q148 I251 W257I70-L144 HydrophobicContact CD1-CD1 4.19Å; I70-L144 HydrophobicContact CG2-CD1 4.31Å; V81-L144 HydrophobicContact CG2-CD2 4.49Å; L140-L144 HydrophobicContact CD1-CD1 4.28Å; L140-L144 HydrophobicContact CD1-CG 4.46Å; L140-L144 HydrophobicContact CG-CD1 4.26Å; L140-L144 PolarHBondContact O-N 3.4Å; R141-L144 PolarHBondContact O-N 3.47Å; L144-W146 VanDerWaalsContact C-N 3.33Å; L144-W146 PolarHBondContact O-N 2.99Å; L144-R147 PolarHBondContact O-N 2.82Å; L144-Q148 PolarHBondContact O-N 3.04Å; L144-I251 HydrophobicContact CB-CD1 4.03Å; L144-W257 HydrophobicContact CD1-CH2 3.57Å; L144-W257 HydrophobicContact CD1-CZ2 4.08Å
145S98.6Very high97.8Very high19 Ų1946.4 Ų46.413%0.13324%0.237CC..Hα-helixtrans-61.3-42.3173.5-59.80000111.7R141 D142 Y143 R147 Q148 A149R141-S145 VanDerWaalsContact O-CB 3.27Å; R141-S145 WeakPolarHBondContact O-CB 3.45Å; R141-S145 PolarHBondContact O-N 2.8Å; R141-S145 PolarHBondContact O-OG 2.68Å; D142-S145 PolarHBondContact O-N 3.04Å; Y143-S145 VanDerWaalsContact C-N 3.32Å; Y143-S145 PolarHBondContact O-N 2.63Å; S145-R147 VanDerWaalsContact C-N 3.34Å; S145-R147 PolarHBondContact O-N 2.9Å; S145-Q148 PolarHBondContact O-N 2.89Å; S145-A149 WeakPolarHBondContact O-CB 3.48Å; S145-A149 PolarHBondContact O-N 3.17Å
146W98.6Very high97.8Very high140 Ų14043.2 Ų43.253%0.5322%0.216SC..Hα-helixtrans-61.9-40.3175.3171.553.9000112D142 Y143 L144 D150D142-W146 VanDerWaalsContact O-CB 3.3Å; D142-W146 WeakPolarHBondContact O-CB 3.42Å; D142-W146 PolarHBondContact O-N 2.86Å; Y143-W146 AromaticContact CD2-CE3 3.86Å; Y143-W146 HydrophobicContact CD2-CE3 3.86Å; Y143-W146 HydrophobicContact CD2-CZ3 4.12Å; Y143-W146 HydrophobicContact CE2-CE3 4.06Å; Y143-W146 AromaticContact CE2-CZ3 3.96Å; Y143-W146 HydrophobicContact CE2-CZ3 3.96Å; Y143-W146 WeakPolarHBondContact O-CB 3.29Å; Y143-W146 PolarHBondContact O-N 2.61Å; L144-W146 VanDerWaalsContact C-N 3.33Å; L144-W146 PolarHBondContact O-N 2.99Å; W146-D150 WeakPolarHBondContact O-CB 3.49Å; W146-D150 PolarHBondContact O-N 2.86Å; W146-D150 VanDerWaalsContact O-N 3.08Å
147R98.6Very high97.9Very high9 Ų944.1 Ų44.13%0.03421%0.214CC..Hα-helixtrans-66.2-40.3174.8-59.4-6374-146.5-12.4112Y72 E77 Y143 L144 S145 D150 C151Y72-R147 HydrophobicContact CD1-CB 3.65Å; Y72-R147 HydrophobicContact CE1-CB 3.6Å; E77-R147 WeakPolarHBondContact OE1-CD 3.48Å; E77-R147 IonicContact OE1-CZ 3.41Å; E77-R147 IonicContact OE1-NH1 3.99Å; E77-R147 PolarHBondContact OE1-NH1 3Å; E77-R147 VanDerWaalsContact OE1-NH1 3.1Å; E77-R147 IonicContact OE2-NH1 3.42Å; E77-R147 PolarHBondContact OE2-NH1 2.96Å; Y143-R147 HydrophobicContact CE1-CG 4.07Å; Y143-R147 HydrophobicContact CE2-CG 4.04Å; Y143-R147 WeakPolarHBondContact O-CG 3.47Å; Y143-R147 PolarHBondContact O-N 2.93Å; L144-R147 PolarHBondContact O-N 2.82Å; S145-R147 VanDerWaalsContact C-N 3.34Å; S145-R147 PolarHBondContact O-N 2.9Å; R147-D150 IonicContact NH1-OD2 3.09Å; R147-D150 IonicContact NH2-OD2 2.81Å; R147-D150 PolarHBondContact O-N 3.1Å; R147-C151 PolarHBondContact O-N 2.79Å
148Q98.5Very high97.9Very high2 Ų245.9 Ų45.91%0.00922%0.223CC..Hα-helixtrans-72.3-35.7177.9-173.4169.472.800113.5Y72 L144 S145 D150 C151 H152 K208 C249 I251 I252Y72-Q148 HydrophobicContact CE2-CB 4.4Å; Y72-Q148 WeakPolarHBondContact OH-CA 3.46Å; L144-Q148 PolarHBondContact O-N 3.04Å; S145-Q148 PolarHBondContact O-N 2.89Å; Q148-D150 VanDerWaalsContact C-N 3.33Å; Q148-C151 WeakPolarHBondContact O-CB 3.49Å; Q148-C151 PolarHBondContact O-N 2.96Å; Q148-H152 PolarHBondContact O-N 3.11Å; Q148-K208 PolarHBondContact NE2-O 3.32Å; Q148-C249 PolarHBondContact NE2-O 3.02Å; Q148-I251 HydrophobicContact CB-CG1 4.26Å; Q148-I252 HydrophobicContact CB-CD1 4.33Å; Q148-I252 HydrophobicContact CB-CG1 4.26Å; Q148-I252 HydrophobicContact CG-CD1 4.28Å; Q148-I252 HydrophobicContact CG-CG1 4.47Å
149A98Very high97.9Very high36 Ų3640.2 Ų40.230%0.29820%0.198SC..Hα-helixtrans-63.1-41.3172.600000111.4S145 H152 I153S145-A149 WeakPolarHBondContact O-CB 3.48Å; S145-A149 PolarHBondContact O-N 3.17Å; A149-H152 PolarHBondContact O-N 3.39Å; A149-I153 VanDerWaalsContact O-CG1 3.32Å; A149-I153 WeakPolarHBondContact O-CG1 3.12Å; A149-I153 PolarHBondContact O-N 3.24Å
150D97.8Very high97.9Very high46 Ų4637.6 Ų37.625%0.24618%0.183CC..Hα-helixtrans-61.1-44.3174.5-169.669000111.7Q74 W146 R147 Q148 H152 I153 N154Q74-D150 PolarHBondContact NE2-OD2 2.82Å; W146-D150 WeakPolarHBondContact O-CB 3.49Å; W146-D150 PolarHBondContact O-N 2.86Å; W146-D150 VanDerWaalsContact O-N 3.08Å; R147-D150 IonicContact NH1-OD2 3.09Å; R147-D150 IonicContact NH2-OD2 2.81Å; R147-D150 PolarHBondContact O-N 3.1Å; Q148-D150 VanDerWaalsContact C-N 3.33Å; D150-H152 VanDerWaalsContact C-N 3.35Å; D150-H152 PolarHBondContact O-N 3.26Å; D150-I153 PolarHBondContact O-N 3.47Å; D150-N154 VanDerWaalsContact CG-ND2 3.31Å; D150-N154 VanDerWaalsContact O-CB 3.31Å; D150-N154 WeakPolarHBondContact O-CB 3.34Å; D150-N154 PolarHBondContact O-N 3.45Å; D150-N154 PolarHBondContact O-ND2 3.46Å; D150-N154 VanDerWaalsContact O-ND2 3.14Å; D150-N154 PolarHBondContact OD1-ND2 3.49Å; D150-N154 PolarHBondContact OD2-ND2 2.8Å; D150-N154 VanDerWaalsContact OD2-ND2 3.12Å
151C97.6Very high97.9Very high6 Ų638.3 Ų38.34%0.04119%0.186CC..Hα-helixtrans-54.9-48.4172.5175.60000111.9Y72 Q74 R147 Q148 N155Y72-C151 WeakPolarHBondContact OH-CB 3.3Å; Q74-C151 HydrophobicContact CB-CB 3.78Å; Q74-C151 HydrophobicContact CG-CB 4.01Å; R147-C151 PolarHBondContact O-N 2.79Å; Q148-C151 WeakPolarHBondContact O-CB 3.49Å; Q148-C151 PolarHBondContact O-N 2.96Å; C151-N155 WeakPolarHBondContact O-CB 3.49Å; C151-N155 PolarHBondContact O-N 3.46Å
152H95.6Very high97.9Very high74 Ų7438.6 Ų38.634%0.34319%0.188SC..Hα-helixtrans-62.3-47.4-179.8178.964.3000112.4Q148 A149 D150 L156 Y199Q148-H152 PolarHBondContact O-N 3.11Å; A149-H152 PolarHBondContact O-N 3.39Å; D150-H152 VanDerWaalsContact C-N 3.35Å; D150-H152 PolarHBondContact O-N 3.26Å; H152-L156 WeakPolarHBondContact O-CB 3.33Å; H152-L156 PolarHBondContact O-N 3.43Å; H152-Y199 AromaticContact CE1-CE1 3.63Å; H152-Y199 AromaticContact ND1-CE1 3.88Å; H152-Y199 PolarHBondContact O-OH 3.08Å
153I96.2Very high97.8Very high108 Ų10835.4 Ų35.455%0.55417%0.171SC*.Hα-helixtrans-61.5-49.6-180-68.3165.9000110.4A149 D150 L156 Y157A149-I153 VanDerWaalsContact O-CG1 3.32Å; A149-I153 WeakPolarHBondContact O-CG1 3.12Å; A149-I153 PolarHBondContact O-N 3.24Å; D150-I153 PolarHBondContact O-N 3.47Å; I153-L156 PolarHBondContact O-N 2.91Å; I153-Y157 WeakPolarHBondContact O-CB 3.47Å; I153-Y157 PolarHBondContact O-N 3.48Å
154N96.8Very high97.8Very high63 Ų6335.1 Ų35.134%0.33717%0.17SC..Hα-helixtrans-66.5-42.4-178.2-71.9-33.9000111.6D150 Y157 N158D150-N154 VanDerWaalsContact CG-ND2 3.31Å; D150-N154 VanDerWaalsContact O-CB 3.31Å; D150-N154 WeakPolarHBondContact O-CB 3.34Å; D150-N154 PolarHBondContact O-N 3.45Å; D150-N154 PolarHBondContact O-ND2 3.46Å; D150-N154 VanDerWaalsContact O-ND2 3.14Å; D150-N154 PolarHBondContact OD1-ND2 3.49Å; D150-N154 PolarHBondContact OD2-ND2 2.8Å; D150-N154 VanDerWaalsContact OD2-ND2 3.12Å; N154-Y157 PolarHBondContact O-N 3.29Å; N154-N158 VanDerWaalsContact O-CB 3.28Å; N154-N158 WeakPolarHBondContact O-CB 3.34Å; N154-N158 PolarHBondContact O-N 3Å; N154-N158 PolarHBondContact O-ND2 2.91Å; N154-N158 VanDerWaalsContact O-ND2 3.15Å
155N97.8Very high97.7Very high6 Ų636.7 Ų36.73%0.03218%0.178CC..Hα-helixtrans-64.7-46.3178.2-173.958.4000111.4N46 C151 Y157 N158 T159 Y199 H206N46-N155 PolarHBondContact ND2-OD1 3.45Å; C151-N155 WeakPolarHBondContact O-CB 3.49Å; C151-N155 PolarHBondContact O-N 3.46Å; N155-Y157 VanDerWaalsContact C-N 3.33Å; N155-Y157 PolarHBondContact O-N 2.93Å; N155-N158 PolarHBondContact O-N 3.27Å; N155-T159 WeakPolarHBondContact O-CB 3.19Å; N155-T159 PolarHBondContact O-N 3.39Å; N155-T159 PolarHBondContact O-OG1 3.01Å; N155-Y199 WeakPolarHBondContact ND2-CE2 3.32Å; N155-Y199 PolarHBondContact ND2-OH 2.83Å; N155-H206 WeakPolarHBondContact CB-O 3.47Å; N155-H206 PolarHBondContact ND2-O 3.31Å
156L97.9Very high97.6Very high5 Ų541.5 Ų41.53%0.02620%0.198CC..Hα-helixtrans-59.2-45177.3178.961000111.7H152 I153 V160 A184 K187 L191 Y199H152-L156 WeakPolarHBondContact O-CB 3.33Å; H152-L156 PolarHBondContact O-N 3.43Å; I153-L156 PolarHBondContact O-N 2.91Å; L156-V160 WeakPolarHBondContact O-CG1 3.4Å; L156-V160 PolarHBondContact O-N 2.93Å; L156-A184 HydrophobicContact CD2-CB 3.92Å; L156-K187 HydrophobicContact CD1-CB 4.17Å; L156-K187 HydrophobicContact CD2-CB 4.24Å; L156-K187 HydrophobicContact CD2-CD 4.38Å; L156-K187 HydrophobicContact CG-CB 4.03Å; L156-K187 HydrophobicContact CG-CD 4.14Å; L156-L191 HydrophobicContact CD1-CD1 4.09Å; L156-Y199 HydrophobicContact CB-CE1 4.46Å; L156-Y199 HydrophobicContact CB-CE2 3.98Å; L156-Y199 HydrophobicContact CD1-CD1 4.14Å; L156-Y199 HydrophobicContact CD1-CD2 3.66Å; L156-Y199 HydrophobicContact CD1-CE1 4.34Å; L156-Y199 HydrophobicContact CD1-CE2 3.85Å; L156-Y199 HydrophobicContact CD1-CG 3.79Å; L156-Y199 PolarHBondContact N-OH 3.3Å
157Y98.2Very high97.5Very high76 Ų7641 Ų4130%0.29820%0.2SC..Hα-helixtrans-60.6-50.6175.6-178.9-89.4000111.8I153 N154 N155 T159 V160 F161 L179I153-Y157 WeakPolarHBondContact O-CB 3.47Å; I153-Y157 PolarHBondContact O-N 3.48Å; N154-Y157 PolarHBondContact O-N 3.29Å; N155-Y157 VanDerWaalsContact C-N 3.33Å; N155-Y157 PolarHBondContact O-N 2.93Å; Y157-T159 PolarHBondContact O-N 2.77Å; Y157-V160 VanDerWaalsContact O-CG1 3.24Å; Y157-V160 WeakPolarHBondContact O-CG1 3.26Å; Y157-V160 PolarHBondContact O-N 3.35Å; Y157-F161 HydrophobicContact CD1-CB 4.47Å; Y157-F161 HydrophobicContact CE1-CB 4.27Å; Y157-F161 HydrophobicContact CE1-CD2 4.46Å; Y157-F161 HydrophobicContact CE1-CG 4.35Å; Y157-F161 WeakPolarHBondContact O-CB 3.35Å; Y157-F161 PolarHBondContact O-N 3.33Å; Y157-L179 HydrophobicContact CD2-CD1 4.25Å; Y157-L179 HydrophobicContact CE2-CB 3.91Å; Y157-L179 HydrophobicContact CE2-CD1 3.85Å
158N97.3Very high97.3Very high55 Ų5542.2 Ų42.229%0.29422%0.215SC..Hα-helixtrans-64.4-39.4-177.8-72.5-29.1000112P45 N154 N155 F161 W162P45-N158 HydrophobicContact CB-CB 3.98Å; N154-N158 VanDerWaalsContact O-CB 3.28Å; N154-N158 WeakPolarHBondContact O-CB 3.34Å; N154-N158 PolarHBondContact O-N 3Å; N154-N158 PolarHBondContact O-ND2 2.91Å; N154-N158 VanDerWaalsContact O-ND2 3.15Å; N155-N158 PolarHBondContact O-N 3.27Å; N158-F161 PolarHBondContact O-N 2.98Å; N158-W162 WeakPolarHBondContact O-CB 3.32Å; N158-W162 VanDerWaalsContact O-CD1 3.22Å; N158-W162 PolarHBondContact O-N 3.5Å
159T97.7Very high97.2Very high3 Ų345.1 Ų45.12%0.01825%0.246CC..Hα-helixtrans-61.7-49.9178-61.50000111.3N155 Y157 T163 L191 Y199N155-T159 WeakPolarHBondContact O-CB 3.19Å; N155-T159 PolarHBondContact O-N 3.39Å; N155-T159 PolarHBondContact O-OG1 3.01Å; Y157-T159 PolarHBondContact O-N 2.77Å; T159-T163 VanDerWaalsContact O-CB 3.22Å; T159-T163 WeakPolarHBondContact O-CB 3.37Å; T159-T163 PolarHBondContact O-N 3.03Å; T159-T163 PolarHBondContact O-OG1 2.87Å; T159-L191 HydrophobicContact CG2-CD1 4.05Å; T159-L191 HydrophobicContact CG2-CD2 4.09Å; T159-Y199 HydrophobicContact CG2-CD2 4.4Å
160V98Very high97.1Very high0 Ų045.7 Ų45.70%024%0.244CC..Hα-helixtrans-67.4-40.1177.968.10000111.6L156 Y157 T163 L164 L179 K187 I190 L191L156-V160 WeakPolarHBondContact O-CG1 3.4Å; L156-V160 PolarHBondContact O-N 2.93Å; Y157-V160 VanDerWaalsContact O-CG1 3.24Å; Y157-V160 WeakPolarHBondContact O-CG1 3.26Å; Y157-V160 PolarHBondContact O-N 3.35Å; V160-T163 PolarHBondContact O-N 2.82Å; V160-L164 HydrophobicContact CG2-CD1 4.21Å; V160-L164 HydrophobicContact CG2-CG 4.43Å; V160-L164 WeakPolarHBondContact O-CB 3.19Å; V160-L164 VanDerWaalsContact O-CG 3.29Å; V160-L164 WeakPolarHBondContact O-CG 3.36Å; V160-L164 PolarHBondContact O-N 2.89Å; V160-L179 HydrophobicContact CB-CD2 4.43Å; V160-L179 HydrophobicContact CG1-CD1 3.72Å; V160-L179 HydrophobicContact CG1-CD2 3.6Å; V160-L179 HydrophobicContact CG1-CG 4.33Å; V160-L179 HydrophobicContact CG2-CD2 3.93Å; V160-K187 HydrophobicContact CG1-CB 4.05Å; V160-K187 HydrophobicContact CG1-CD 4.1Å; V160-K187 HydrophobicContact CG1-CG 3.94Å; V160-I190 HydrophobicContact CG2-CB 3.99Å; V160-I190 HydrophobicContact CG2-CG2 3.57Å; V160-L191 HydrophobicContact CB-CD1 4.21Å; V160-L191 HydrophobicContact CB-CD2 4.06Å; V160-L191 HydrophobicContact CB-CG 3.9Å; V160-L191 HydrophobicContact CG2-CD2 4.26Å; V160-L191 HydrophobicContact CG2-CG 4.04Å
161F98.3Very high97.1Very high15 Ų1547.1 Ų47.17%0.06625%0.254CS..Hα-helixtrans-58.7-52178.6178.9-103.1000112.5Y157 N158 T163 L164 I165 T172 A175 E176 L179Y157-F161 HydrophobicContact CD1-CB 4.47Å; Y157-F161 HydrophobicContact CE1-CB 4.27Å; Y157-F161 HydrophobicContact CE1-CD2 4.46Å; Y157-F161 HydrophobicContact CE1-CG 4.35Å; Y157-F161 WeakPolarHBondContact O-CB 3.35Å; Y157-F161 PolarHBondContact O-N 3.33Å; N158-F161 PolarHBondContact O-N 2.98Å; F161-T163 VanDerWaalsContact C-N 3.35Å; F161-L164 PolarHBondContact O-N 2.57Å; F161-I165 HydrophobicContact CD1-CD1 3.91Å; F161-I165 HydrophobicContact CD2-CD1 4.5Å; F161-I165 HydrophobicContact CE1-CD1 3.43Å; F161-I165 VanDerWaalsContact CE1-CD1 3.43Å; F161-I165 HydrophobicContact CE2-CD1 4.05Å; F161-I165 HydrophobicContact CG-CD1 4.44Å; F161-I165 HydrophobicContact CZ-CD1 3.53Å; F161-I165 WeakPolarHBondContact O-CG1 3.42Å; F161-I165 PolarHBondContact O-N 2.88Å; F161-T172 WeakPolarHBondContact CE2-O 3.34Å; F161-T172 HydrophobicContact CZ-CG2 4.23Å; F161-A175 HydrophobicContact CD2-CB 3.62Å; F161-A175 HydrophobicContact CE2-CB 3.53Å; F161-A175 HydrophobicContact CZ-CB 4.48Å; F161-E176 HydrophobicContact CD2-CG 4.47Å; F161-E176 HydrophobicContact CE2-CG 3.64Å; F161-E176 HydrophobicContact CZ-CG 4.23Å; F161-L179 HydrophobicContact CB-CD1 3.78Å; F161-L179 HydrophobicContact CD2-CD1 4.04Å; F161-L179 HydrophobicContact CG-CD1 4.44Å
162W97.6Very high97Very high60 Ų6050.2 Ų50.223%0.22727%0.273CS..Hα-helixtrans-72.7-28.6179.7-74.7108.6000112.8K44 P45 N158 I165 Q166K44-W162 HydrophobicContact CB-CB 4.42Å; K44-W162 HydrophobicContact CB-CD2 3.5Å; K44-W162 HydrophobicContact CB-CE3 3.93Å; K44-W162 HydrophobicContact CB-CG 3.72Å; K44-W162 HydrophobicContact CB-CZ2 4.22Å; K44-W162 HydrophobicContact CB-CZ3 4.44Å; K44-W162 HydrophobicContact CD-CZ2 3.79Å; K44-W162 HydrophobicContact CG-CD2 3.97Å; K44-W162 HydrophobicContact CG-CE3 4.26Å; K44-W162 HydrophobicContact CG-CH2 4.02Å; K44-W162 HydrophobicContact CG-CZ2 3.71Å; K44-W162 HydrophobicContact CG-CZ3 4.28Å; P45-W162 HydrophobicContact CB-CB 4.37Å; P45-W162 HydrophobicContact CB-CG 4.39Å; N158-W162 WeakPolarHBondContact O-CB 3.32Å; N158-W162 VanDerWaalsContact O-CD1 3.22Å; N158-W162 PolarHBondContact O-N 3.5Å; W162-I165 HydrophobicContact CD2-CD1 4.5Å; W162-I165 HydrophobicContact CE3-CB 4.38Å; W162-I165 HydrophobicContact CE3-CD1 3.94Å; W162-I165 HydrophobicContact CE3-CG2 4.41Å; W162-I165 HydrophobicContact CZ3-CD1 4.07Å; W162-I165 HydrophobicContact CZ3-CG2 4.42Å; W162-I165 PolarHBondContact O-N 3.42Å; W162-Q166 VanDerWaalsContact O-CB 3.3Å; W162-Q166 WeakPolarHBondContact O-CB 3.35Å; W162-Q166 VanDerWaalsContact O-CG 3.29Å; W162-Q166 WeakPolarHBondContact O-CG 3.33Å; W162-Q166 PolarHBondContact O-N 3.4Å
163T97.4Very high97.1Very high12 Ų1250.6 Ų50.67%0.07428%0.281CS..Hα-helixtrans-65-44.5172.8-61.30000111.3T159 V160 F161 I165 Q166 K167 G168 L191 F195T159-T163 VanDerWaalsContact O-CB 3.22Å; T159-T163 WeakPolarHBondContact O-CB 3.37Å; T159-T163 PolarHBondContact O-N 3.03Å; T159-T163 PolarHBondContact O-OG1 2.87Å; V160-T163 PolarHBondContact O-N 2.82Å; F161-T163 VanDerWaalsContact C-N 3.35Å; T163-I165 PolarHBondContact O-N 3.24Å; T163-Q166 PolarHBondContact O-N 2.84Å; T163-K167 HydrophobicContact CG2-CB 4.3Å; T163-K167 HydrophobicContact CG2-CD 3.97Å; T163-K167 HydrophobicContact CG2-CG 4.27Å; T163-K167 WeakPolarHBondContact O-CA 3.31Å; T163-K167 WeakPolarHBondContact O-CB 3.3Å; T163-K167 PolarHBondContact O-N 2.93Å; T163-G168 PolarHBondContact O-N 2.69Å; T163-G168 VanDerWaalsContact O-N 3.11Å; T163-L191 HydrophobicContact CG2-CD2 4.14Å; T163-F195 HydrophobicContact CG2-CB 3.8Å; T163-F195 HydrophobicContact CG2-CD1 3.76Å; T163-F195 HydrophobicContact CG2-CD2 3.55Å; T163-F195 HydrophobicContact CG2-CE1 4.23Å; T163-F195 HydrophobicContact CG2-CE2 4.05Å; T163-F195 HydrophobicContact CG2-CG 3.4Å; T163-F195 HydrophobicContact CG2-CZ 4.36Å
164L97.8Very high97.2Very high3 Ų350.5 Ų50.52%0.01628%0.278CS..Hα-helixtrans-58.5-37175-74.8167.8000112.2V160 F161 G168 G169 L170 A175 R178 L179 I190 F195V160-L164 HydrophobicContact CG2-CD1 4.21Å; V160-L164 HydrophobicContact CG2-CG 4.43Å; V160-L164 WeakPolarHBondContact O-CB 3.19Å; V160-L164 VanDerWaalsContact O-CG 3.29Å; V160-L164 WeakPolarHBondContact O-CG 3.36Å; V160-L164 PolarHBondContact O-N 2.89Å; F161-L164 PolarHBondContact O-N 2.57Å; L164-G168 CarbonylContact O-C 3.6Å; L164-G168 WeakPolarHBondContact O-CA 3.28Å; L164-G168 PolarHBondContact O-N 3.12Å; L164-G169 PolarHBondContact O-N 3.06Å; L164-G169 VanDerWaalsContact O-N 3.09Å; L164-L170 HydrophobicContact CB-CD2 4.31Å; L164-L170 HydrophobicContact CD2-CD2 4.27Å; L164-L170 PolarHBondContact O-N 3.07Å; L164-L170 VanDerWaalsContact O-N 3.09Å; L164-A175 HydrophobicContact CB-CB 4.11Å; L164-A175 HydrophobicContact CD1-CB 4.38Å; L164-R178 HydrophobicContact CD1-CG 4.21Å; L164-L179 HydrophobicContact CD1-CD1 4.22Å; L164-L179 HydrophobicContact CD1-CD2 3.95Å; L164-L179 HydrophobicContact CD1-CG 3.96Å; L164-I190 HydrophobicContact CD2-CG2 4.14Å; L164-F195 HydrophobicContact CD2-CE2 3.79Å; L164-F195 HydrophobicContact CD2-CZ 3.9Å; L164-F195 HydrophobicContact CG-CE2 4.37Å
165I97.4Very high97.2Very high32 Ų3247.5 Ų47.516%0.16426%0.262CS..Hα-helixtrans-75.6-54.7178.2-64.9166.4000111F161 W162 T163 G169 L170 T172 A175F161-I165 HydrophobicContact CD1-CD1 3.91Å; F161-I165 HydrophobicContact CD2-CD1 4.5Å; F161-I165 HydrophobicContact CE1-CD1 3.43Å; F161-I165 VanDerWaalsContact CE1-CD1 3.43Å; F161-I165 HydrophobicContact CE2-CD1 4.05Å; F161-I165 HydrophobicContact CG-CD1 4.44Å; F161-I165 HydrophobicContact CZ-CD1 3.53Å; F161-I165 WeakPolarHBondContact O-CG1 3.42Å; F161-I165 PolarHBondContact O-N 2.88Å; W162-I165 HydrophobicContact CD2-CD1 4.5Å; W162-I165 HydrophobicContact CE3-CB 4.38Å; W162-I165 HydrophobicContact CE3-CD1 3.94Å; W162-I165 HydrophobicContact CE3-CG2 4.41Å; W162-I165 HydrophobicContact CZ3-CD1 4.07Å; W162-I165 HydrophobicContact CZ3-CG2 4.42Å; W162-I165 PolarHBondContact O-N 3.42Å; T163-I165 PolarHBondContact O-N 3.24Å; I165-G169 WeakPolarHBondContact O-CA 3.21Å; I165-G169 PolarHBondContact O-N 3.25Å; I165-G169 VanDerWaalsContact O-N 3.12Å; I165-L170 WeakPolarHBondContact CA-O 3.26Å; I165-T172 HydrophobicContact CD1-CG2 3.93Å; I165-A175 HydrophobicContact CD1-CB 4.31Å; I165-A175 HydrophobicContact CG1-CB 3.93Å
166Q96.4Very high97.2Very high120 Ų12052 Ų5256%0.56128%0.283SS*.Hα-helixtrans-77.5-39.4-169.4-65.7174.53.100113K44 W162 T163K44-Q166 PolarHBondContact O-NE2 3.47Å; W162-Q166 VanDerWaalsContact O-CB 3.3Å; W162-Q166 WeakPolarHBondContact O-CB 3.35Å; W162-Q166 VanDerWaalsContact O-CG 3.29Å; W162-Q166 WeakPolarHBondContact O-CG 3.33Å; W162-Q166 PolarHBondContact O-N 3.4Å; T163-Q166 PolarHBondContact O-N 2.84Å
167K95.9Very high97.1Very high130 Ų13056.8 Ų56.857%0.56531%0.309SS*.THydrogen-bonded Turntrans-98.5-38.3178.5-58.5-169.3-169.6171.10111.9T163 F195 T197T163-K167 HydrophobicContact CG2-CB 4.3Å; T163-K167 HydrophobicContact CG2-CD 3.97Å; T163-K167 HydrophobicContact CG2-CG 4.27Å; T163-K167 WeakPolarHBondContact O-CA 3.31Å; T163-K167 WeakPolarHBondContact O-CB 3.3Å; T163-K167 PolarHBondContact O-N 2.93Å; K167-F195 HydrophobicContact CB-CD1 3.69Å; K167-F195 HydrophobicContact CB-CE1 3.77Å; K167-F195 HydrophobicContact CD-CD1 4.18Å; K167-T197 PolarHBondContact NZ-OG1 3.29Å
168G94.3Very high97.1Very high34 Ų3458.5 Ų58.535%0.35131%0.314SS..THydrogen-bonded Turntrans-82.4-15.4-179.100000114.6T163 L164 L170T163-G168 PolarHBondContact O-N 2.69Å; T163-G168 VanDerWaalsContact O-N 3.11Å; L164-G168 CarbonylContact O-C 3.6Å; L164-G168 WeakPolarHBondContact O-CA 3.28Å; L164-G168 PolarHBondContact O-N 3.12Å; G168-L170 VanDerWaalsContact C-N 3.26Å; G168-L170 WeakPolarHBondContact O-CD1 3.49Å; G168-L170 PolarHBondContact O-N 2.81Å
169G96.6Very high97.1Very high64 Ų6456.1 Ų56.166%0.6630%0.302SS*.  trans72.115.3179.700000114.6L164 I165L164-G169 PolarHBondContact O-N 3.06Å; L164-G169 VanDerWaalsContact O-N 3.09Å; I165-G169 WeakPolarHBondContact O-CA 3.21Å; I165-G169 PolarHBondContact O-N 3.25Å; I165-G169 VanDerWaalsContact O-N 3.12Å
170L97.4Very high97Very high48 Ų4863.9 Ų63.925%0.25134%0.335SS..  trans-74.4152.5177.2-83.864000111.1L164 I165 G168 Q174 A175L164-L170 HydrophobicContact CB-CD2 4.31Å; L164-L170 HydrophobicContact CD2-CD2 4.27Å; L164-L170 PolarHBondContact O-N 3.07Å; L164-L170 VanDerWaalsContact O-N 3.09Å; I165-L170 WeakPolarHBondContact CA-O 3.26Å; G168-L170 VanDerWaalsContact C-N 3.26Å; G168-L170 WeakPolarHBondContact O-CD1 3.49Å; G168-L170 PolarHBondContact O-N 2.81Å; L170-Q174 HydrophobicContact CB-CB 4.08Å; L170-Q174 HydrophobicContact CD2-CB 4.15Å; L170-Q174 HydrophobicContact CG-CB 4.09Å; L170-A175 HydrophobicContact CB-CB 4.4Å
171T97.4Very high96.9Very high75 Ų7567.6 Ų67.646%0.4637%0.373SS..  trans-74164.2164.570.50000110.8T173 Q174 A175T171-T173 VanDerWaalsContact C-N 3.32Å; T171-T173 PolarHBondContact O-N 2.91Å; T171-Q174 PolarHBondContact O-N 3.35Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.43Å; T171-Q174 PolarHBondContact OG1-N 3.2Å; T171-Q174 PolarHBondContact OG1-OE1 3.06Å; T171-A175 PolarHBondContact O-N 3.46Å
172T95.6Very high96.9Very high72 Ų7268 Ų6844%0.44238%0.377SS..Hα-helixtrans-54.9-47175.649.40000111.9F161 I165 Q174 A175 E176F161-T172 WeakPolarHBondContact CE2-O 3.34Å; F161-T172 HydrophobicContact CZ-CG2 4.23Å; I165-T172 HydrophobicContact CD1-CG2 3.93Å; T172-Q174 PolarHBondContact O-N 3.43Å; T172-A175 PolarHBondContact O-N 2.75Å; T172-E176 WeakPolarHBondContact O-CG 3.26Å; T172-E176 PolarHBondContact O-N 2.86Å
173T97.3Very high96.8Very high82 Ų8270.6 Ų70.650%0.50339%0.394SS..Hα-helixtrans-62-42.5178.1-50.30000112.3T171 A175 E176 D177T171-T173 VanDerWaalsContact C-N 3.32Å; T171-T173 PolarHBondContact O-N 2.91Å; T173-A175 PolarHBondContact O-N 2.88Å; T173-E176 PolarHBondContact O-N 2.87Å; T173-D177 WeakPolarHBondContact O-CB 3.38Å; T173-D177 PolarHBondContact O-N 3.23Å
174Q97.8Very high96.7Very high106 Ų10672.7 Ų72.750%0.49541%0.413SS..Hα-helixtrans-65.3-40.3178.2-73171.5-31.600112L170 T171 T172 R178L170-Q174 HydrophobicContact CB-CB 4.08Å; L170-Q174 HydrophobicContact CD2-CB 4.15Å; L170-Q174 HydrophobicContact CG-CB 4.09Å; T171-Q174 PolarHBondContact O-N 3.35Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.43Å; T171-Q174 PolarHBondContact OG1-N 3.2Å; T171-Q174 PolarHBondContact OG1-OE1 3.06Å; T172-Q174 PolarHBondContact O-N 3.43Å; Q174-R178 VanDerWaalsContact O-CB 3.27Å; Q174-R178 WeakPolarHBondContact O-CB 3.12Å; Q174-R178 PolarHBondContact O-N 2.8Å
175A97.4Very high96.7Very high0 Ų076 Ų760%044%0.437CS..Hα-helixtrans-67.3-40.317700000111.7F161 L164 I165 L170 T171 T172 T173 R178 L179F161-A175 HydrophobicContact CD2-CB 3.62Å; F161-A175 HydrophobicContact CE2-CB 3.53Å; F161-A175 HydrophobicContact CZ-CB 4.48Å; L164-A175 HydrophobicContact CB-CB 4.11Å; L164-A175 HydrophobicContact CD1-CB 4.38Å; I165-A175 HydrophobicContact CD1-CB 4.31Å; I165-A175 HydrophobicContact CG1-CB 3.93Å; L170-A175 HydrophobicContact CB-CB 4.4Å; T171-A175 PolarHBondContact O-N 3.46Å; T172-A175 PolarHBondContact O-N 2.75Å; T173-A175 PolarHBondContact O-N 2.88Å; A175-R178 PolarHBondContact O-N 2.83Å; A175-L179 VanDerWaalsContact O-CG 3.28Å; A175-L179 WeakPolarHBondContact O-CG 3.31Å; A175-L179 PolarHBondContact O-N 3.24Å; A175-L179 VanDerWaalsContact O-N 3.12Å
176E96.8Very high96.7Very high100 Ų10077.1 Ų77.147%0.46744%0.443SS..Hα-helixtrans-60.7-49.4173.7-74.6176.6-177.700111.5F161 T172 T173 R178 L179 K180F161-E176 HydrophobicContact CD2-CG 4.47Å; F161-E176 HydrophobicContact CE2-CG 3.64Å; F161-E176 HydrophobicContact CZ-CG 4.23Å; T172-E176 WeakPolarHBondContact O-CG 3.26Å; T172-E176 PolarHBondContact O-N 2.86Å; T173-E176 PolarHBondContact O-N 2.87Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.4Å; E176-L179 PolarHBondContact O-N 2.9Å; E176-K180 PolarHBondContact O-N 2.84Å
177D97.6Very high96.7Very high106 Ų10672.5 Ų72.557%0.56742%0.421SS*.Hα-helixtrans-62-38.2179.1-78.6-26.4000111.8T173 L179 K180T173-D177 WeakPolarHBondContact O-CB 3.38Å; T173-D177 PolarHBondContact O-N 3.23Å; D177-L179 VanDerWaalsContact C-N 3.32Å; D177-L179 PolarHBondContact O-N 3.47Å; D177-K180 WeakPolarHBondContact O-CB 3.34Å; D177-K180 PolarHBondContact O-N 2.93Å
178R96.7Very high96.8Very high111 Ų11168.7 Ų68.742%0.41941%0.407SS..Hα-helixtrans-65-34.2177.2178.961.2178.8100.40.5113L164 Q174 A175 E176 E194L164-R178 HydrophobicContact CD1-CG 4.21Å; Q174-R178 VanDerWaalsContact O-CB 3.27Å; Q174-R178 WeakPolarHBondContact O-CB 3.12Å; Q174-R178 PolarHBondContact O-N 2.8Å; A175-R178 PolarHBondContact O-N 2.83Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.4Å; R178-E194 IonicContact NH2-OE1 3.28Å; R178-E194 PolarHBondContact NH2-OE1 3.05Å
179L97.6Very high96.9Very high5 Ų573.1 Ų73.13%0.02642%0.418CS..Hα-helixtrans-90.3-11.1-178.5-65.1176.7000113.1Y157 V160 F161 L164 A175 E176 D177 G181 T182 K187 I190Y157-L179 HydrophobicContact CD2-CD1 4.25Å; Y157-L179 HydrophobicContact CE2-CB 3.91Å; Y157-L179 HydrophobicContact CE2-CD1 3.85Å; V160-L179 HydrophobicContact CB-CD2 4.43Å; V160-L179 HydrophobicContact CG1-CD1 3.72Å; V160-L179 HydrophobicContact CG1-CD2 3.6Å; V160-L179 HydrophobicContact CG1-CG 4.33Å; V160-L179 HydrophobicContact CG2-CD2 3.93Å; F161-L179 HydrophobicContact CB-CD1 3.78Å; F161-L179 HydrophobicContact CD2-CD1 4.04Å; F161-L179 HydrophobicContact CG-CD1 4.44Å; L164-L179 HydrophobicContact CD1-CD1 4.22Å; L164-L179 HydrophobicContact CD1-CD2 3.95Å; L164-L179 HydrophobicContact CD1-CG 3.96Å; A175-L179 VanDerWaalsContact O-CG 3.28Å; A175-L179 WeakPolarHBondContact O-CG 3.31Å; A175-L179 PolarHBondContact O-N 3.24Å; A175-L179 VanDerWaalsContact O-N 3.12Å; E176-L179 PolarHBondContact O-N 2.9Å; D177-L179 VanDerWaalsContact C-N 3.32Å; D177-L179 PolarHBondContact O-N 3.47Å; L179-G181 PolarHBondContact O-N 2.95Å; L179-T182 WeakPolarHBondContact O-CB 3.28Å; L179-T182 WeakPolarHBondContact O-CG2 3.46Å; L179-T182 PolarHBondContact O-N 2.68Å; L179-T182 VanDerWaalsContact O-N 3.16Å; L179-T182 PolarHBondContact O-OG1 2.82Å; L179-K187 HydrophobicContact CD2-CG 4.37Å; L179-I190 HydrophobicContact CD2-CD1 4.14Å
180K96.6Very high97Very high167 Ų16770.4 Ų70.473%0.72639%0.389SS*.THydrogen-bonded Turntrans-60.8124.9-179.4-168.2174.3-177.3174.90111.3E176 D177 T182E176-K180 PolarHBondContact O-N 2.84Å; D177-K180 WeakPolarHBondContact O-CB 3.34Å; D177-K180 PolarHBondContact O-N 2.93Å; K180-T182 PolarHBondContact O-N 3Å
181G96.2Very high96.9Very high77 Ų7768.1 Ų68.179%0.79438%0.377SS*.THydrogen-bonded Turntrans77.4-0.4179.300000115.3L179L179-G181 PolarHBondContact O-N 2.95Å
182T96.6Very high96.9Very high24 Ų2470.2 Ų70.215%0.14738%0.38CS..  trans-72.5146.4177.360.80000111.9L179 K180 D186 K187L179-T182 WeakPolarHBondContact O-CB 3.28Å; L179-T182 WeakPolarHBondContact O-CG2 3.46Å; L179-T182 PolarHBondContact O-N 2.68Å; L179-T182 VanDerWaalsContact O-N 3.16Å; L179-T182 PolarHBondContact O-OG1 2.82Å; K180-T182 PolarHBondContact O-N 3Å; T182-D186 HydrophobicContact CG2-CB 4.41Å; T182-K187 PolarHBondContact O-NZ 2.92Å; T182-K187 WeakPolarHBondContact OG1-CE 3.41Å; T182-K187 PolarHBondContact OG1-NZ 3.42Å
183L96.6Very high97Very high114 Ų11470.8 Ų70.860%0.59739%0.387SS*.  trans-85.4-179.7172.3-59.4-179.1000111.3D186 K187L183-D186 PolarHBondContact N-OD2 3.19Å; L183-K187 WeakPolarHBondContact O-CG 3.43Å; L183-K187 PolarHBondContact O-N 2.86Å; L183-K187 PolarHBondContact O-NZ 3.27Å
184A95.6Very high96.9Very high56 Ų5671.6 Ų71.646%0.46339%0.385SS..Hα-helixtrans-68.7-36.9175.900000112L156 D186 K187 N188L156-A184 HydrophobicContact CD2-CB 3.92Å; A184-D186 VanDerWaalsContact C-N 3.34Å; A184-D186 PolarHBondContact O-N 3.49Å; A184-K187 PolarHBondContact O-N 3.08Å; A184-N188 PolarHBondContact O-N 2.97Å; A184-N188 PolarHBondContact O-ND2 3.31Å
185S96.6Very high96.9Very high73 Ų7368.1 Ų68.151%0.5137%0.368SS..Hα-helixtrans-57.1-48.2174.546.80000111.4K187 N188 E189S185-K187 VanDerWaalsContact C-N 3.31Å; S185-K187 PolarHBondContact O-N 3Å; S185-N188 WeakPolarHBondContact O-CB 3.19Å; S185-N188 PolarHBondContact O-N 3.17Å; S185-N188 VanDerWaalsContact O-N 3.13Å; S185-E189 PolarHBondContact O-N 2.87Å
186D97.4Very high96.8Very high56 Ų5674.8 Ų74.830%0.29940%0.404SS..Hα-helixtrans-65.7-37.5-174.8-43.6-19.5000110.9T182 L183 A184 E189 I190T182-D186 HydrophobicContact CG2-CB 4.41Å; L183-D186 PolarHBondContact N-OD2 3.19Å; A184-D186 VanDerWaalsContact C-N 3.34Å; A184-D186 PolarHBondContact O-N 3.49Å; D186-E189 PolarHBondContact O-N 3.44Å; D186-I190 VanDerWaalsContact O-CG1 3.23Å; D186-I190 WeakPolarHBondContact O-CG1 3.32Å; D186-I190 PolarHBondContact O-N 3.49Å
187K97.9Very high96.6Very high23 Ų2371 Ų7110%0.139%0.387CS..Hα-helixtrans-65.2-40.1175.5-66.4177.3-172.161.30112L156 V160 L179 T182 L183 A184 S185 L191L156-K187 HydrophobicContact CD1-CB 4.17Å; L156-K187 HydrophobicContact CD2-CB 4.24Å; L156-K187 HydrophobicContact CD2-CD 4.38Å; L156-K187 HydrophobicContact CG-CB 4.03Å; L156-K187 HydrophobicContact CG-CD 4.14Å; V160-K187 HydrophobicContact CG1-CB 4.05Å; V160-K187 HydrophobicContact CG1-CD 4.1Å; V160-K187 HydrophobicContact CG1-CG 3.94Å; L179-K187 HydrophobicContact CD2-CG 4.37Å; T182-K187 PolarHBondContact O-NZ 2.92Å; T182-K187 WeakPolarHBondContact OG1-CE 3.41Å; T182-K187 PolarHBondContact OG1-NZ 3.42Å; L183-K187 WeakPolarHBondContact O-CG 3.43Å; L183-K187 PolarHBondContact O-N 2.86Å; L183-K187 PolarHBondContact O-NZ 3.27Å; A184-K187 PolarHBondContact O-N 3.08Å; S185-K187 VanDerWaalsContact C-N 3.31Å; S185-K187 PolarHBondContact O-N 3Å; K187-L191 WeakPolarHBondContact O-CG 3.22Å; K187-L191 PolarHBondContact O-N 2.99Å; K187-L191 VanDerWaalsContact O-N 3.12Å
188N96.3Very high96.5Very high50 Ų5068.9 Ų68.927%0.26738%0.376SS..Hα-helixtrans-66.1-40.9174.4-77.6-72.1000111.3A184 S185 L191 F192 Y199A184-N188 PolarHBondContact O-N 2.97Å; A184-N188 PolarHBondContact O-ND2 3.31Å; S185-N188 WeakPolarHBondContact O-CB 3.19Å; S185-N188 PolarHBondContact O-N 3.17Å; S185-N188 VanDerWaalsContact O-N 3.13Å; N188-L191 PolarHBondContact O-N 3.07Å; N188-F192 WeakPolarHBondContact O-CB 3.47Å; N188-F192 PolarHBondContact O-N 2.95Å; N188-Y199 VanDerWaalsContact OD1-CB 3.3Å; N188-Y199 WeakPolarHBondContact OD1-CB 3.19Å
189E97.5Very high96.4Very high126 Ų12663.8 Ų63.859%0.58936%0.357SS*.Hα-helixtrans-63.6-44.4177.1-172174.9-17600111.6S185 D186 L191 F192 S193S185-E189 PolarHBondContact O-N 2.87Å; D186-E189 PolarHBondContact O-N 3.44Å; E189-L191 PolarHBondContact O-N 3.18Å; E189-F192 PolarHBondContact O-N 3.05Å; E189-S193 VanDerWaalsContact O-CB 3.3Å; E189-S193 WeakPolarHBondContact O-CB 3.44Å; E189-S193 PolarHBondContact O-N 2.86Å; E189-S193 PolarHBondContact O-OG 3.3Å
190I97.4Very high96.2Very high8 Ų868.2 Ų68.24%0.04138%0.38CS..Hα-helixtrans-57.3-49.8174.1-68.6163.4000110.5V160 L164 L179 D186 F192 E194 F195V160-I190 HydrophobicContact CG2-CB 3.99Å; V160-I190 HydrophobicContact CG2-CG2 3.57Å; L164-I190 HydrophobicContact CD2-CG2 4.14Å; L179-I190 HydrophobicContact CD2-CD1 4.14Å; D186-I190 VanDerWaalsContact O-CG1 3.23Å; D186-I190 WeakPolarHBondContact O-CG1 3.32Å; D186-I190 PolarHBondContact O-N 3.49Å; I190-F192 VanDerWaalsContact C-N 3.32Å; I190-F192 PolarHBondContact O-N 2.97Å; I190-E194 VanDerWaalsContact O-CB 3.32Å; I190-E194 WeakPolarHBondContact O-CB 3.34Å; I190-E194 PolarHBondContact O-N 3.02Å; I190-E194 VanDerWaalsContact O-N 3.1Å; I190-F195 HydrophobicContact CG2-CD2 4.46Å; I190-F195 HydrophobicContact CG2-CE2 4.08Å
191L97.1Very high96.2Very high0 Ų066.5 Ų66.50%038%0.379CS..Hα-helixtrans-58.9-42.8179-76.8172.4000112.3L156 T159 V160 T163 K187 N188 E189 F195 D196 T197 Y199L156-L191 HydrophobicContact CD1-CD1 4.09Å; T159-L191 HydrophobicContact CG2-CD1 4.05Å; T159-L191 HydrophobicContact CG2-CD2 4.09Å; V160-L191 HydrophobicContact CB-CD1 4.21Å; V160-L191 HydrophobicContact CB-CD2 4.06Å; V160-L191 HydrophobicContact CB-CG 3.9Å; V160-L191 HydrophobicContact CG2-CD2 4.26Å; V160-L191 HydrophobicContact CG2-CG 4.04Å; T163-L191 HydrophobicContact CG2-CD2 4.14Å; K187-L191 WeakPolarHBondContact O-CG 3.22Å; K187-L191 PolarHBondContact O-N 2.99Å; K187-L191 VanDerWaalsContact O-N 3.12Å; N188-L191 PolarHBondContact O-N 3.07Å; E189-L191 PolarHBondContact O-N 3.18Å; L191-F195 CarbonylContact O-C 3.42Å; L191-F195 WeakPolarHBondContact O-CB 3.38Å; L191-F195 PolarHBondContact O-N 3.43Å; L191-D196 PolarHBondContact O-N 3.28Å; L191-T197 CarbonylContact C-O 3.29Å; L191-T197 VanDerWaalsContact C-O 3.29Å; L191-T197 WeakPolarHBondContact CB-O 3.27Å; L191-T197 HydrophobicContact CD2-CG2 4.34Å; L191-T197 WeakPolarHBondContact O-CB 3.37Å; L191-T197 PolarHBondContact O-N 3.47Å; L191-Y199 HydrophobicContact CD1-CD2 4.22Å
192F96.8Very high96.1Very high119 Ų11965.4 Ų65.452%0.52235%0.353SS..Hα-helixtrans-77-54.1-175.9-172.8-105.8000112.2N188 E189 I190 D196 T197N188-F192 WeakPolarHBondContact O-CB 3.47Å; N188-F192 PolarHBondContact O-N 2.95Å; E189-F192 PolarHBondContact O-N 3.05Å; I190-F192 VanDerWaalsContact C-N 3.32Å; I190-F192 PolarHBondContact O-N 2.97Å; F192-D196 VanDerWaalsContact O-CA 3.23Å; F192-D196 WeakPolarHBondContact O-CA 3.5Å; F192-D196 PolarHBondContact O-N 3.18Å; F192-T197 PolarHBondContact N-O 3.23Å
193S96.7Very high96.1Very high84 Ų8466.8 Ų66.859%0.58736%0.364SS*.Hα-helixtrans-74.6-36.5-172.3-62.80000113.5E189E189-S193 VanDerWaalsContact O-CB 3.3Å; E189-S193 WeakPolarHBondContact O-CB 3.44Å; E189-S193 PolarHBondContact O-N 2.86Å; E189-S193 PolarHBondContact O-OG 3.3Å
194E96.6Very high96.1Very high98 Ų9863.1 Ų63.146%0.45835%0.35SS..Hα-helixtrans-92.4-26.8-176.9-57.2-178.1-155.400112.4R178 I190R178-E194 IonicContact NH2-OE1 3.28Å; R178-E194 PolarHBondContact NH2-OE1 3.05Å; I190-E194 VanDerWaalsContact O-CB 3.32Å; I190-E194 WeakPolarHBondContact O-CB 3.34Å; I190-E194 PolarHBondContact O-N 3.02Å; I190-E194 VanDerWaalsContact O-N 3.1Å
195F96.1Very high96.2Very high34 Ų3461.7 Ų61.715%0.14934%0.336CS..Hα-helixtrans-130.47.6-170.4-55.9-74.2000115.2T163 L164 K167 I190 L191 T197T163-F195 HydrophobicContact CG2-CB 3.8Å; T163-F195 HydrophobicContact CG2-CD1 3.76Å; T163-F195 HydrophobicContact CG2-CD2 3.55Å; T163-F195 HydrophobicContact CG2-CE1 4.23Å; T163-F195 HydrophobicContact CG2-CE2 4.05Å; T163-F195 HydrophobicContact CG2-CG 3.4Å; T163-F195 HydrophobicContact CG2-CZ 4.36Å; L164-F195 HydrophobicContact CD2-CE2 3.79Å; L164-F195 HydrophobicContact CD2-CZ 3.9Å; L164-F195 HydrophobicContact CG-CE2 4.37Å; K167-F195 HydrophobicContact CB-CD1 3.69Å; K167-F195 HydrophobicContact CB-CE1 3.77Å; K167-F195 HydrophobicContact CD-CD1 4.18Å; I190-F195 HydrophobicContact CG2-CD2 4.46Å; I190-F195 HydrophobicContact CG2-CE2 4.08Å; L191-F195 CarbonylContact O-C 3.42Å; L191-F195 WeakPolarHBondContact O-CB 3.38Å; L191-F195 PolarHBondContact O-N 3.43Å; F195-T197 PolarHBondContact O-N 2.86Å; F195-T197 PolarHBondContact O-OG1 3.38Å
196D95.3Very high96.2Very high140 Ų14059.2 Ų59.275%0.74932%0.316SS*.  trans48.135.9-178.1-164.834.7000112.6L191 F192L191-D196 PolarHBondContact O-N 3.28Å; F192-D196 VanDerWaalsContact O-CA 3.23Å; F192-D196 WeakPolarHBondContact O-CA 3.5Å; F192-D196 PolarHBondContact O-N 3.18Å
197T93.3Very high96.2Very high19 Ų1959.2 Ų59.212%0.11731%0.312CS..  trans-111.6111.3-174.5-59.70000109.2K167 L191 F192 F195K167-T197 PolarHBondContact NZ-OG1 3.29Å; L191-T197 CarbonylContact C-O 3.29Å; L191-T197 VanDerWaalsContact C-O 3.29Å; L191-T197 WeakPolarHBondContact CB-O 3.27Å; L191-T197 HydrophobicContact CD2-CG2 4.34Å; L191-T197 WeakPolarHBondContact O-CB 3.37Å; L191-T197 PolarHBondContact O-N 3.47Å; F192-T197 PolarHBondContact N-O 3.23Å; F195-T197 PolarHBondContact O-N 2.86Å; F195-T197 PolarHBondContact O-OG1 3.38Å
198N95.3Very high96.2Very high63 Ų6360.6 Ų60.634%0.33732%0.318SS..  trans-88.6108.1174.7-176.4-11.4000110.3N200 N201N198-N200 PolarHBondContact O-N 3.32Å; N198-N200 VanDerWaalsContact O-N 3.11Å; N198-N200 WeakPolarHBondContact OD1-CB 3.19Å; N198-N200 PolarHBondContact OD1-N 3.22Å; N198-N201 WeakPolarHBondContact O-CB 3.49Å; N198-N201 PolarHBondContact O-N 2.92Å
199Y94.6Very high96.3Very high3 Ų358.3 Ų58.31%0.01231%0.307CS..G310 helixtrans-55.2-31.6-179.9-178.2-99.3000113.2H152 N155 L156 T159 N188 L191 N201 E202 R207H152-Y199 AromaticContact CE1-CE1 3.63Å; H152-Y199 AromaticContact ND1-CE1 3.88Å; H152-Y199 PolarHBondContact O-OH 3.08Å; N155-Y199 WeakPolarHBondContact ND2-CE2 3.32Å; N155-Y199 PolarHBondContact ND2-OH 2.83Å; L156-Y199 HydrophobicContact CB-CE1 4.46Å; L156-Y199 HydrophobicContact CB-CE2 3.98Å; L156-Y199 HydrophobicContact CD1-CD1 4.14Å; L156-Y199 HydrophobicContact CD1-CD2 3.66Å; L156-Y199 HydrophobicContact CD1-CE1 4.34Å; L156-Y199 HydrophobicContact CD1-CE2 3.85Å; L156-Y199 HydrophobicContact CD1-CG 3.79Å; L156-Y199 PolarHBondContact N-OH 3.3Å; T159-Y199 HydrophobicContact CG2-CD2 4.4Å; N188-Y199 VanDerWaalsContact OD1-CB 3.3Å; N188-Y199 WeakPolarHBondContact OD1-CB 3.19Å; L191-Y199 HydrophobicContact CD1-CD2 4.22Å; Y199-N201 PolarHBondContact O-N 2.98Å; Y199-E202 HydrophobicContact CD2-CG 4.1Å; Y199-E202 VanDerWaalsContact O-CB 3.24Å; Y199-E202 WeakPolarHBondContact O-CB 3.42Å; Y199-E202 WeakPolarHBondContact O-CG 3.47Å; Y199-E202 PolarHBondContact O-N 3.18Å; Y199-R207 HydrophobicContact CE1-CG 3.91Å; Y199-R207 HydrophobicContact CE2-CG 4.43Å; Y199-R207 VanDerWaalsContact O-CD 3.29Å; Y199-R207 WeakPolarHBondContact O-CD 3.29Å
200N94.6Very high96.4Very high98 Ų9852.6 Ų52.652%0.52428%0.28SS..G310 helixtrans-67.7-16.5179.4-67.3-47.4000113.8N198 R207N198-N200 PolarHBondContact O-N 3.32Å; N198-N200 VanDerWaalsContact O-N 3.11Å; N198-N200 WeakPolarHBondContact OD1-CB 3.19Å; N198-N200 PolarHBondContact OD1-N 3.22Å; N200-R207 PolarHBondContact O-NH1 2.78Å; N200-R207 PolarHBondContact O-NH2 3.27Å
201N95.3Very high96.4Very high132 Ų13252.2 Ų52.271%0.70628%0.278SS*.G310 helixtrans-89.5-6.7174.8-65.1-12.3000112.7N198 Y199N198-N201 WeakPolarHBondContact O-CB 3.49Å; N198-N201 PolarHBondContact O-N 2.92Å; Y199-N201 PolarHBondContact O-N 2.98Å
202E94.6Very high96.5Very high53 Ų5352.3 Ų52.325%0.24828%0.279CS..SBendtrans-61.2152.8172.7-68.7-66.9133.900111.1Y199 A204 R207Y199-E202 HydrophobicContact CD2-CG 4.1Å; Y199-E202 VanDerWaalsContact O-CB 3.24Å; Y199-E202 WeakPolarHBondContact O-CB 3.42Å; Y199-E202 WeakPolarHBondContact O-CG 3.47Å; Y199-E202 PolarHBondContact O-N 3.18Å; E202-A204 PolarHBondContact O-N 2.9Å; E202-R207 HydrophobicContact CB-CG 4.02Å; E202-R207 PolarHBondContact O-NE 3.39Å; E202-R207 PolarHBondContact O-NH2 3.34Å
203S96.5Very high96.6Very high53 Ų5346.7 Ų46.737%0.37125%0.254SS..  trans-51.9136-178.4-179.30000111.5V205 H206 R207S203-V205 PolarHBondContact O-N 3.22Å; S203-V205 PolarHBondContact OG-N 3.11Å; S203-H206 PolarHBondContact O-N 3.44Å; S203-R207 PolarHBondContact O-N 2.82Å; S203-R207 VanDerWaalsContact O-N 3.1Å
204A96.8Very high96.5Very high37 Ų3745.5 Ų45.531%0.30624%0.237SC..Hα-helixtrans-60.5-34.9178.500000111.7E202 H206 R207 K208 Y248E202-A204 PolarHBondContact O-N 2.9Å; A204-H206 VanDerWaalsContact C-N 3.27Å; A204-H206 PolarHBondContact O-N 3.47Å; A204-R207 PolarHBondContact O-N 3.36Å; A204-K208 WeakPolarHBondContact O-CB 3.31Å; A204-K208 PolarHBondContact O-N 2.9Å; A204-Y248 WeakPolarHBondContact CB-O 3.49Å
205V96.9Very high96.4Very high26 Ų2643.2 Ų43.216%0.15823%0.226CC..Hα-helixtrans-54.8-43.2172.9164.40000111.5L51 S203 G209 Y248L51-V205 HydrophobicContact CB-CG1 4.43Å; L51-V205 HydrophobicContact CD1-CG1 3.84Å; S203-V205 PolarHBondContact O-N 3.22Å; S203-V205 PolarHBondContact OG-N 3.11Å; V205-G209 WeakPolarHBondContact O-CA 3.26Å; V205-G209 PolarHBondContact O-N 3.12Å; V205-Y248 HydrophobicContact CB-CD1 4.29Å; V205-Y248 HydrophobicContact CG2-CD1 3.29Å; V205-Y248 HydrophobicContact CG2-CD2 4.03Å; V205-Y248 HydrophobicContact CG2-CE1 3.33Å; V205-Y248 HydrophobicContact CG2-CE2 4.05Å; V205-Y248 HydrophobicContact CG2-CG 3.65Å
206H97.4Very high96Very high22 Ų2248.4 Ų48.410%0.10225%0.249CC..Hα-helixtrans-74.9-38.7-178.1-56.8162.1000111.7D48 N155 S203 A204D48-H206 IonicContact OD1-CD2 3.53Å; D48-H206 IonicContact OD1-CE1 3.01Å; D48-H206 IonicContact OD1-NE2 2.67Å; D48-H206 PolarHBondContact OD1-NE2 3.25Å; N155-H206 WeakPolarHBondContact CB-O 3.47Å; N155-H206 PolarHBondContact ND2-O 3.31Å; S203-H206 PolarHBondContact O-N 3.44Å; A204-H206 VanDerWaalsContact C-N 3.27Å; A204-H206 PolarHBondContact O-N 3.47Å
207R97.5Very high95.4Very high55 Ų5547.7 Ų47.721%0.20824%0.235CC..Hα-helixtrans-80.8-30.4-176-68.3-168.2-72140.2-0.6114.5Y199 N200 E202 S203 A204Y199-R207 HydrophobicContact CE1-CG 3.91Å; Y199-R207 HydrophobicContact CE2-CG 4.43Å; Y199-R207 VanDerWaalsContact O-CD 3.29Å; Y199-R207 WeakPolarHBondContact O-CD 3.29Å; N200-R207 PolarHBondContact O-NH1 2.78Å; N200-R207 PolarHBondContact O-NH2 3.27Å; E202-R207 HydrophobicContact CB-CG 4.02Å; E202-R207 PolarHBondContact O-NE 3.39Å; E202-R207 PolarHBondContact O-NH2 3.34Å; S203-R207 PolarHBondContact O-N 2.82Å; S203-R207 VanDerWaalsContact O-N 3.1Å; A204-R207 PolarHBondContact O-N 3.36Å
208K97.8Very high94.9Very high52 Ų5252.5 Ų52.523%0.22626%0.26CS..Hα-helixtrans-118.7-13.1-171.1-62.6-62.6-172.9173.20113.2Y72 Q148 A204 D250Y72-K208 VanDerWaalsContact CE2-O 3.28Å; Y72-K208 WeakPolarHBondContact CE2-O 3.24Å; Y72-K208 PolarHBondContact OH-O 3.5Å; Q148-K208 PolarHBondContact NE2-O 3.32Å; A204-K208 WeakPolarHBondContact O-CB 3.31Å; A204-K208 PolarHBondContact O-N 2.9Å; K208-D250 IonicContact NZ-OD1 2.77Å; K208-D250 PolarHBondContact NZ-OD1 3.31Å
209G98.1Very high94Very high3 Ų351.9 Ų51.93%0.03126%0.255CS..  trans74.6-164.3-171.500000111.5G73 V205G73-G209 WeakPolarHBondContact O-CA 3.37Å; V205-G209 WeakPolarHBondContact O-CA 3.26Å; V205-G209 PolarHBondContact O-N 3.12Å
210T98.8Very high93.3Very high6 Ų656 Ų564%0.03728%0.281CS..EExtended strand (participates in β ladder)trans-121.6119.2-179-58.60000110.6Y72 G73 L212 A246 Y248Y72-T210 WeakPolarHBondContact CA-O 3.42Å; G73-T210 PolarHBondContact N-O 3.44Å; G73-T210 PolarHBondContact O-N 2.62Å; T210-L212 HydrophobicContact CG2-CD2 3.89Å; T210-L212 HydrophobicContact CG2-CG 4.31Å; T210-A246 HydrophobicContact CG2-CB 4.11Å; T210-Y248 HydrophobicContact CG2-CD1 4.34Å; T210-Y248 HydrophobicContact CG2-CE1 3.77Å; T210-Y248 WeakPolarHBondContact OG1-CE1 3.38Å
211T98.8Very high92.5Very high0 Ų054.5 Ų54.50%028%0.276CS..EExtended strand (participates in β ladder)trans-98.8130.3170.2-57.60000109.3I70 A71 Y72 I213 A246 Y247 I251 F256I70-T211 HydrophobicContact CD1-CG2 3.66Å; I70-T211 HydrophobicContact CG1-CG2 3.93Å; A71-T211 CarbonylContact O-C 3.56Å; A71-T211 WeakPolarHBondContact O-CA 3.25Å; Y72-T211 WeakPolarHBondContact CD2-OG1 3.29Å; T211-I213 HydrophobicContact CG2-CG2 4.21Å; T211-A246 CarbonylContact O-C 3.45Å; T211-A246 WeakPolarHBondContact O-CA 3.39Å; T211-Y247 PolarHBondContact N-O 3.1Å; T211-Y247 PolarHBondContact O-N 2.97Å; T211-I251 HydrophobicContact CG2-CG2 4.32Å; T211-F256 HydrophobicContact CG2-CE2 4.16Å; T211-F256 HydrophobicContact CG2-CZ 3.72Å
212L98.7Very high91.6Very high1 Ų152 Ų521%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-113.2125.3175.9-60.4-178.6000109.6A58 R59 M62 I70 A71 F78 T210 V244 E245 A246A58-L212 HydrophobicContact CB-CD1 3.64Å; R59-L212 HydrophobicContact CB-CD1 4.44Å; M62-L212 HydrophobicContact CE-CB 4.42Å; M62-L212 HydrophobicContact SD-CB 3.51Å; M62-L212 VanDerWaalsContact SD-CB 3.51Å; M62-L212 HydrophobicContact SD-CD1 4.12Å; M62-L212 HydrophobicContact SD-CG 4.48Å; I70-L212 WeakPolarHBondContact CA-O 3.21Å; A71-L212 HydrophobicContact CB-CB 4.3Å; A71-L212 PolarHBondContact N-O 3.46Å; A71-L212 PolarHBondContact O-N 2.89Å; F78-L212 HydrophobicContact CE1-CD1 4.04Å; F78-L212 HydrophobicContact CE1-CG 4.39Å; F78-L212 HydrophobicContact CZ-CD1 3.67Å; F78-L212 HydrophobicContact CZ-CG 3.99Å; T210-L212 HydrophobicContact CG2-CD2 3.89Å; T210-L212 HydrophobicContact CG2-CG 4.31Å; L212-V244 HydrophobicContact CB-CG1 3.84Å; L212-V244 HydrophobicContact CD1-CG1 4.31Å; L212-V244 HydrophobicContact CD2-CG1 4.35Å; L212-V244 HydrophobicContact CG-CG1 4.39Å; L212-E245 WeakPolarHBondContact CA-O 2.95Å; L212-A246 HydrophobicContact CD2-CB 3.62Å
213I98.1Very high90.9Very high2 Ų253.2 Ų53.21%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-135.5163.1174.959.2169.9000110.6I70 T211 V244 E245 Y247 F256 H260 V263I70-I213 HydrophobicContact CB-CG2 4.1Å; I70-I213 HydrophobicContact CD1-CG2 4.01Å; I70-I213 HydrophobicContact CG1-CG2 3.84Å; T211-I213 HydrophobicContact CG2-CG2 4.21Å; I213-V244 WeakPolarHBondContact O-CA 3.2Å; I213-E245 PolarHBondContact N-O 3.45Å; I213-E245 VanDerWaalsContact N-O 3.15Å; I213-E245 PolarHBondContact O-N 2.93Å; I213-Y247 HydrophobicContact CD1-CD2 4.05Å; I213-Y247 HydrophobicContact CD1-CE2 3.61Å; I213-Y247 HydrophobicContact CG1-CD2 3.72Å; I213-Y247 HydrophobicContact CG1-CE2 3.41Å; I213-Y247 VanDerWaalsContact CG1-CE2 3.41Å; I213-F256 HydrophobicContact CD1-CE2 4.41Å; I213-F256 HydrophobicContact CD1-CZ 4.38Å; I213-F256 HydrophobicContact CG2-CZ 4.01Å; I213-H260 HydrophobicContact CD1-CB 4.14Å; I213-H260 VanDerWaalsContact CD1-ND1 3.3Å; I213-H260 WeakPolarHBondContact CD1-ND1 3.44Å; I213-V263 HydrophobicContact CB-CG2 4.34Å; I213-V263 HydrophobicContact CG2-CG2 3.83Å
214W96.6Very high90Very high58 Ų5859.3 Ų59.322%0.2229%0.288CS..EExtended strand (participates in β ladder)trans-88.2120177-70.9101.7000112.1M62 I68 R242 K243 V244M62-W214 HydrophobicContact CB-CZ2 4.42Å; M62-W214 WeakPolarHBondContact O-CZ2 3.35Å; I68-W214 VanDerWaalsContact O-CD1 3.3Å; I68-W214 PolarHBondContact O-NE1 3.05Å; W214-R242 HydrophobicContact CE3-CB 3.85Å; W214-R242 HydrophobicContact CZ3-CB 4.34Å; W214-K243 CarbonylContact C-O 3.6Å; W214-K243 WeakPolarHBondContact CA-O 3.28Å; W214-V244 HydrophobicContact CD2-CG2 3.87Å; W214-V244 HydrophobicContact CE3-CG2 3.66Å; W214-V244 HydrophobicContact CH2-CG2 3.73Å; W214-V244 HydrophobicContact CZ2-CG2 3.92Å; W214-V244 HydrophobicContact CZ3-CG2 3.59Å
215E93.3Very high89Confident51 Ų5161 Ų6124%0.23829%0.291CS..EExtended strand (participates in β ladder)trans-111.3142.8177.3-76.8-66.3169.600112.1R217 R242 K243 E245 Y247 H260E215-R217 PolarHBondContact O-N 2.69Å; E215-R242 CarbonylContact O-C 3.39Å; E215-R242 VanDerWaalsContact O-CA 3.29Å; E215-R242 WeakPolarHBondContact O-CA 3.37Å; E215-K243 PolarHBondContact N-O 3.46Å; E215-K243 PolarHBondContact O-N 2.99Å; E215-E245 HydrophobicContact CB-CB 4.37Å; E215-E245 HydrophobicContact CB-CG 3.82Å; E215-E245 HydrophobicContact CG-CB 4.08Å; E215-E245 HydrophobicContact CG-CG 4.04Å; E215-Y247 HydrophobicContact CG-CE2 4.31Å; E215-Y247 VanDerWaalsContact CG-OH 3.26Å; E215-Y247 WeakPolarHBondContact CG-OH 3.44Å; E215-Y247 PolarHBondContact OE1-OH 3.46Å; E215-H260 IonicContact OE1-CE1 2.98Å; E215-H260 PolarHBondContact OE1-CE1 3.2Å; E215-H260 IonicContact OE1-ND1 3.3Å; E215-H260 PolarHBondContact OE1-ND1 3.07Å; E215-H260 VanDerWaalsContact OE1-ND1 3.11Å
216K88.3Confident87.5Confident142 Ų14267 Ų6762%0.61731%0.314SS*.EExtended strand (participates in β ladder)trans-83.4111.9173-71.1176.2-173.3159.10108.8R242K216-R242 HydrophobicContact CG-CG 4.18Å
217R83Confident86.2Confident125 Ų12573.2 Ų73.247%0.47234%0.337SS..EExtended strand (participates in β ladder)trans-112.3136.4172.3-75.3-166.3173.1169.57.2111.8E215 S240 R241 E245E215-R217 PolarHBondContact O-N 2.69Å; R217-S240 WeakPolarHBondContact O-CA 3.48Å; R217-R241 PolarHBondContact N-O 3.48Å; R217-R241 PolarHBondContact O-N 2.73Å; R217-E245 IonicContact CZ-OE1 2.57Å; R217-E245 IonicContact CZ-OE2 3.39Å; R217-E245 VanDerWaalsContact CZ-OE2 3.27Å; R217-E245 IonicContact NE-OE1 3.79Å; R217-E245 PolarHBondContact NE-OE1 3.33Å; R217-E245 IonicContact NH1-OE1 3.74Å; R217-E245 PolarHBondContact NH1-OE1 3.17Å; R217-E245 IonicContact NH1-OE2 3.09Å; R217-E245 PolarHBondContact NH1-OE2 2.81Å; R217-E245 IonicContact NH2-OE1 3.5Å; R217-E245 PolarHBondContact NH2-OE1 3.15Å; R217-E245 IonicContact NH2-OE2 3.91Å; R217-E245 PolarHBondContact NH2-OE2 3.02Å
218N82.5Confident84.4Confident120 Ų12076.6 Ų76.664%0.64237%0.366SS*.EExtended strand (participates in β ladder)trans-86.3114.3171.7-69.9-24.9000108.8T238 S240N218-T238 HydrophobicContact CB-CG2 3.81Å; N218-S240 WeakPolarHBondContact OD1-CB 3.2Å; N218-S240 PolarHBondContact OD1-OG 2.96Å
219E76.9Confident82.9Confident50 Ų5082.6 Ų82.623%0.23440%0.401CS..EExtended strand (participates in β ladder)trans-103.7123.9174.4-65.7-169.4144.300109.9T238 R239 R241 K243E219-T238 CarbonylContact O-C 3.55Å; E219-T238 WeakPolarHBondContact O-CA 3.33Å; E219-R239 PolarHBondContact N-O 2.58Å; E219-R239 PolarHBondContact O-N 2.92Å; E219-R241 IonicContact OE2-NH1 3.18Å; E219-K243 WeakPolarHBondContact OE1-CE 3.49Å; E219-K243 IonicContact OE1-NZ 3.16Å; E219-K243 PolarHBondContact OE1-NZ 3.27Å
220T78.4Confident81.6Confident89 Ų8986.9 Ų86.955%0.54642%0.42SS..EExtended strand (participates in β ladder)trans-92.5112.9172.4-58.20000108.8P236 T238T220-P236 HydrophobicContact CG2-CB 3.71Å; T220-T238 PolarHBondContact OG1-OG1 3.15Å; T220-T238 VanDerWaalsContact OG1-OG1 3.04Å
221V79.4Confident80.1Confident68 Ų6894.9 Ų94.941%0.41246%0.457SS..EExtended strand (participates in β ladder)trans-112.3129.5178.6-172.10000108.9K223 V237V221-K223 PolarHBondContact O-N 3.03Å; V221-V237 PolarHBondContact N-O 2.98Å; V221-V237 PolarHBondContact O-N 3.29Å
222S76.1Confident78.8Confident79 Ų79100.4 Ų100.455%0.55248%0.483SS*.EExtended strand (participates in β ladder)trans-71.1109.9171.8-59.90000109.5
223K79.3Confident77.6Confident78 Ų78105.8 Ų105.834%0.33951%0.508SS..EExtended strand (participates in β ladder)trans-97.5133.5172.8-79.5-167.5165.3-155.80110.1V221 I225 V235 V237V221-K223 PolarHBondContact O-N 3.03Å; K223-I225 HydrophobicContact CB-CG1 4.38Å; K223-I225 PolarHBondContact O-N 2.96Å; K223-V235 PolarHBondContact N-O 3.4Å; K223-V235 PolarHBondContact O-N 2.9Å; K223-V237 HydrophobicContact CB-CG2 4.06Å; K223-V237 HydrophobicContact CD-CB 4.43Å; K223-V237 HydrophobicContact CD-CG2 4.13Å; K223-V237 HydrophobicContact CG-CB 4.49Å; K223-V237 HydrophobicContact CG-CG2 4.23Å
224R77.1Confident76.5Confident182 Ų182111.9 Ų111.969%0.68754%0.536SS*.EExtended strand (participates in β ladder)trans-77.5118.5165.6-65.5-175.5-172.6-176.13.5108.2Q234R224-Q234 HydrophobicContact CG-CG 4.11Å
225I75.1Confident75.8Confident72 Ų72111.6 Ų111.637%0.36954%0.541SS..EExtended strand (participates in β ladder)trans-115.5126.7175.9-57.9177.7000106.7K223 R227 Q233 V235K223-I225 HydrophobicContact CB-CG1 4.38Å; K223-I225 PolarHBondContact O-N 2.96Å; I225-R227 HydrophobicContact CG2-CG 4.36Å; I225-Q233 PolarHBondContact N-O 2.69Å; I225-Q233 PolarHBondContact O-N 3.07Å; I225-V235 HydrophobicContact CD1-CB 4.07Å; I225-V235 HydrophobicContact CD1-CG2 4.05Å
226K66.6Low75.1Confident151 Ų151113.4 Ų113.466%0.65756%0.557SS**  trans-110.3111.4171.9-165.6174.1-176.7172.40108.2E232K226-E232 HydrophobicContact CB-CG 4.09Å; K226-E232 HydrophobicContact CD-CG 4.07Å; K226-E232 HydrophobicContact CG-CG 4.12Å
227R70.4Confident74.8Confident154 Ų154108.6 Ų108.658%0.58154%0.539SS*.  trans-85.7153.9172.1-65.5-177-177.9165.3-1.1109.4I225 N229 E230I225-R227 HydrophobicContact CG2-CG 4.36Å; R227-N229 PolarHBondContact O-N 3.21Å; R227-E230 HydrophobicContact CB-CB 4.26Å; R227-E230 HydrophobicContact CB-CG 4.49Å; R227-E230 WeakPolarHBondContact CD-OE2 3.42Å; R227-E230 IonicContact NH1-OE2 3.4Å; R227-E230 PolarHBondContact O-N 3.04Å
228P59.2Low74.7Confident126 Ų126106.6 Ų106.682%0.81854%0.541SS*.THydrogen-bonded Turntrans-57.6126.4174-17.529.7000109.4
229N65.5Low74.6Confident177 Ų177106.3 Ų106.395%0.94753%0.531SS*.THydrogen-bonded Turntrans68.617.2-177.3-61.1-11.6000117.7R227R227-N229 PolarHBondContact O-N 3.21Å
230E71.1Confident74.8Confident93 Ų93107.5 Ų107.544%0.43555%0.545SS..SBendtrans-122.9152.9172.4-67.1179.717700112.3R227R227-E230 HydrophobicContact CB-CB 4.26Å; R227-E230 HydrophobicContact CB-CG 4.49Å; R227-E230 WeakPolarHBondContact CD-OE2 3.42Å; R227-E230 IonicContact NH1-OE2 3.4Å; R227-E230 PolarHBondContact O-N 3.04Å
231E67.9Low75.1Confident175 Ų175109.5 Ų109.582%0.81854%0.543SS*.  trans-66.3154.2172.6-68.7-172.7166.700111.5Q233E231-Q233 PolarHBondContact O-N 3.02Å; E231-Q233 VanDerWaalsContact O-N 3.11Å
232E71Confident75.6Confident116 Ų116113.2 Ų113.254%0.54255%0.549SS..  trans-62.1114.6179.5-80.3-175.3-173.200111.3K226K226-E232 HydrophobicContact CB-CG 4.09Å; K226-E232 HydrophobicContact CD-CG 4.07Å; K226-E232 HydrophobicContact CG-CG 4.12Å
233Q74.7Confident76.4Confident114 Ų114113.3 Ų113.353%0.53354%0.54SS..EExtended strand (participates in β ladder)trans-102.6138174.1-73.4-177.8-0.900110.9I225 E231 V235I225-Q233 PolarHBondContact N-O 2.69Å; I225-Q233 PolarHBondContact O-N 3.07Å; E231-Q233 PolarHBondContact O-N 3.02Å; E231-Q233 VanDerWaalsContact O-N 3.11Å; Q233-V235 HydrophobicContact CB-CG2 4.45Å
234Q74.8Confident77.2Confident130 Ų130109.7 Ų109.761%0.60752%0.524SS*.EExtended strand (participates in β ladder)trans-85.4113.2167.8-68.9-172.529.700108.9R224R224-Q234 HydrophobicContact CG-CG 4.11Å
235V80.4Confident78.1Confident51 Ų51102.7 Ų102.731%0.30950%0.499SS..EExtended strand (participates in β ladder)trans-110128.7178.2-172.20000108.8K223 I225 Q233 V237K223-V235 PolarHBondContact N-O 3.4Å; K223-V235 PolarHBondContact O-N 2.9Å; I225-V235 HydrophobicContact CD1-CB 4.07Å; I225-V235 HydrophobicContact CD1-CG2 4.05Å; Q233-V235 HydrophobicContact CB-CG2 4.45Å; V235-V237 PolarHBondContact O-N 3.4Å
236P79.1Confident79.2Confident90 Ų90100.4 Ų100.458%0.58449%0.491SS*.EExtended strand (participates in β ladder)trans-68.4122.7172.327.5-31.9000109.5T220T220-P236 HydrophobicContact CG2-CB 3.71Å
237V82.4Confident80.7Confident40 Ų4096.1 Ų96.124%0.24247%0.471CS..EExtended strand (participates in β ladder)trans-117.8112.8176.3-178.70000108.7V221 K223 V235 R239V221-V237 PolarHBondContact N-O 2.98Å; V221-V237 PolarHBondContact O-N 3.29Å; K223-V237 HydrophobicContact CB-CG2 4.06Å; K223-V237 HydrophobicContact CD-CB 4.43Å; K223-V237 HydrophobicContact CD-CG2 4.13Å; K223-V237 HydrophobicContact CG-CB 4.49Å; K223-V237 HydrophobicContact CG-CG2 4.23Å; V235-V237 PolarHBondContact O-N 3.4Å; V237-R239 HydrophobicContact CG1-CG 4.19Å
238T81.2Confident82Confident84 Ų8493.9 Ų93.952%0.51546%0.464SS..EExtended strand (participates in β ladder)trans-82.1125174-51.60000110N218 E219 T220N218-T238 HydrophobicContact CB-CG2 3.81Å; E219-T238 CarbonylContact O-C 3.55Å; E219-T238 WeakPolarHBondContact O-CA 3.33Å; T220-T238 PolarHBondContact OG1-OG1 3.15Å; T220-T238 VanDerWaalsContact OG1-OG1 3.04Å
239R80.2Confident83.8Confident113 Ų11390 Ų9043%0.42644%0.439SS..EExtended strand (participates in β ladder)trans-123.6128.8176.1-70178.9168-160-17.3109.2E219 V237E219-R239 PolarHBondContact N-O 2.58Å; E219-R239 PolarHBondContact O-N 2.92Å; V237-R239 HydrophobicContact CG1-CG 4.19Å
240S81.8Confident85.4Confident75 Ų7584.5 Ų84.552%0.52441%0.409SS..EExtended strand (participates in β ladder)trans-78.6127.1170.3-165.80000109.3R217 N218R217-S240 WeakPolarHBondContact O-CA 3.48Å; N218-S240 WeakPolarHBondContact OD1-CB 3.2Å; N218-S240 PolarHBondContact OD1-OG 2.96Å
241R84.5Confident86.6Confident132 Ų13280 Ų8050%0.49839%0.389SS..EExtended strand (participates in β ladder)trans-130.7143.3175.1-73-177.6164.3-178.6-9.6109.5R217 E219R217-R241 PolarHBondContact N-O 3.48Å; R217-R241 PolarHBondContact O-N 2.73Å; E219-R241 IonicContact OE2-NH1 3.18Å
242R88.6Confident88.1Confident146 Ų14675.1 Ų75.155%0.55137%0.367SS*.EExtended strand (participates in β ladder)trans-80.6131.8167.9-68.5-175.178.7-169.69.3108.9W214 E215 K216W214-R242 HydrophobicContact CE3-CB 3.85Å; W214-R242 HydrophobicContact CZ3-CB 4.34Å; E215-R242 CarbonylContact O-C 3.39Å; E215-R242 VanDerWaalsContact O-CA 3.29Å; E215-R242 WeakPolarHBondContact O-CA 3.37Å; K216-R242 HydrophobicContact CG-CG 4.18Å
243K93.4Very high89.3Confident80 Ų8071.1 Ų71.135%0.34836%0.357SS..EExtended strand (participates in β ladder)trans-130.8149.9175.3-75.2-170.1162.9-171.60110W214 E215 E219 E245W214-K243 CarbonylContact C-O 3.6Å; W214-K243 WeakPolarHBondContact CA-O 3.28Å; E215-K243 PolarHBondContact N-O 3.46Å; E215-K243 PolarHBondContact O-N 2.99Å; E219-K243 WeakPolarHBondContact OE1-CE 3.49Å; E219-K243 IonicContact OE1-NZ 3.16Å; E219-K243 PolarHBondContact OE1-NZ 3.27Å; K243-E245 PolarHBondContact O-N 2.92Å
244V96.4Very high90.3Very high3 Ų369.9 Ų69.92%0.01835%0.354CS..EExtended strand (participates in β ladder)trans-83.9111.9176.3-178.50000108.9R59 M62 E63 L212 I213 W214R59-V244 HydrophobicContact CG-CB 4.02Å; R59-V244 HydrophobicContact CG-CG1 4.16Å; R59-V244 PolarHBondContact NE-O 3.45Å; M62-V244 HydrophobicContact CB-CG1 4.39Å; M62-V244 HydrophobicContact CB-CG2 3.78Å; M62-V244 HydrophobicContact CE-CG1 4.06Å; M62-V244 HydrophobicContact CE-CG2 4.27Å; M62-V244 HydrophobicContact SD-CG1 3.73Å; E63-V244 HydrophobicContact CG-CG2 4.07Å; L212-V244 HydrophobicContact CB-CG1 3.84Å; L212-V244 HydrophobicContact CD1-CG1 4.31Å; L212-V244 HydrophobicContact CD2-CG1 4.35Å; L212-V244 HydrophobicContact CG-CG1 4.39Å; I213-V244 WeakPolarHBondContact O-CA 3.2Å; W214-V244 HydrophobicContact CD2-CG2 3.87Å; W214-V244 HydrophobicContact CE3-CG2 3.66Å; W214-V244 HydrophobicContact CH2-CG2 3.73Å; W214-V244 HydrophobicContact CZ2-CG2 3.92Å; W214-V244 HydrophobicContact CZ3-CG2 3.59Å
245E96.5Very high91.4Very high35 Ų3570 Ų7016%0.16435%0.354CS..EExtended strand (participates in β ladder)trans-105.5150.8179.3-65.3-67.3150.300110.4L212 I213 E215 R217 K243 Y247L212-E245 WeakPolarHBondContact CA-O 2.95Å; I213-E245 PolarHBondContact N-O 3.45Å; I213-E245 VanDerWaalsContact N-O 3.15Å; I213-E245 PolarHBondContact O-N 2.93Å; E215-E245 HydrophobicContact CB-CB 4.37Å; E215-E245 HydrophobicContact CB-CG 3.82Å; E215-E245 HydrophobicContact CG-CB 4.08Å; E215-E245 HydrophobicContact CG-CG 4.04Å; R217-E245 IonicContact CZ-OE1 2.57Å; R217-E245 IonicContact CZ-OE2 3.39Å; R217-E245 VanDerWaalsContact CZ-OE2 3.27Å; R217-E245 IonicContact NE-OE1 3.79Å; R217-E245 PolarHBondContact NE-OE1 3.33Å; R217-E245 IonicContact NH1-OE1 3.74Å; R217-E245 PolarHBondContact NH1-OE1 3.17Å; R217-E245 IonicContact NH1-OE2 3.09Å; R217-E245 PolarHBondContact NH1-OE2 2.81Å; R217-E245 IonicContact NH2-OE1 3.5Å; R217-E245 PolarHBondContact NH2-OE1 3.15Å; R217-E245 IonicContact NH2-OE2 3.91Å; R217-E245 PolarHBondContact NH2-OE2 3.02Å; K243-E245 PolarHBondContact O-N 2.92Å; E245-Y247 HydrophobicContact CB-CE2 3.83Å
246A97.8Very high92.2Very high24 Ų2467.7 Ų67.720%0.19834%0.34CS..EExtended strand (participates in β ladder)trans-105.2135.3-177.800000111.2T210 T211 L212 Y248T210-A246 HydrophobicContact CG2-CB 4.11Å; T211-A246 CarbonylContact O-C 3.45Å; T211-A246 WeakPolarHBondContact O-CA 3.39Å; L212-A246 HydrophobicContact CD2-CB 3.62Å; A246-Y248 HydrophobicContact CB-CE1 4.3Å
247Y98Very high93.1Very high61 Ų6164.1 Ų64.124%0.23932%0.315CS..EExtended strand (participates in β ladder)trans-126.3140.7-180-66.4-101000109.7T211 I213 E215 E245 H260T211-Y247 PolarHBondContact N-O 3.1Å; T211-Y247 PolarHBondContact O-N 2.97Å; I213-Y247 HydrophobicContact CD1-CD2 4.05Å; I213-Y247 HydrophobicContact CD1-CE2 3.61Å; I213-Y247 HydrophobicContact CG1-CD2 3.72Å; I213-Y247 HydrophobicContact CG1-CE2 3.41Å; I213-Y247 VanDerWaalsContact CG1-CE2 3.41Å; E215-Y247 HydrophobicContact CG-CE2 4.31Å; E215-Y247 VanDerWaalsContact CG-OH 3.26Å; E215-Y247 WeakPolarHBondContact CG-OH 3.44Å; E215-Y247 PolarHBondContact OE1-OH 3.46Å; E245-Y247 HydrophobicContact CB-CE2 3.83Å; Y247-H260 AromaticContact CE1-CE1 3.82Å; Y247-H260 AromaticContact CE1-NE2 3.72Å; Y247-H260 AromaticContact CZ-CE1 3.8Å
248Y97.6Very high93.7Very high107 Ų10769.2 Ų69.242%0.4234%0.336SS..  trans-122.953-178.2-43.9-64.1000109.4A204 V205 T210 A246A204-Y248 WeakPolarHBondContact CB-O 3.49Å; V205-Y248 HydrophobicContact CB-CD1 4.29Å; V205-Y248 HydrophobicContact CG2-CD1 3.29Å; V205-Y248 HydrophobicContact CG2-CD2 4.03Å; V205-Y248 HydrophobicContact CG2-CE1 3.33Å; V205-Y248 HydrophobicContact CG2-CE2 4.05Å; V205-Y248 HydrophobicContact CG2-CG 3.65Å; T210-Y248 HydrophobicContact CG2-CD1 4.34Å; T210-Y248 HydrophobicContact CG2-CE1 3.77Å; T210-Y248 WeakPolarHBondContact OG1-CE1 3.38Å; A246-Y248 HydrophobicContact CB-CE1 4.3Å
249C97.2Very high94.4Very high45 Ų4570.6 Ų70.630%0.30434%0.337SS..SBendtrans-123.4173.8-171.963.50000111.6Q148Q148-C249 PolarHBondContact NE2-O 3.02Å
250D97.9Very high95.1Very high60 Ų6066.3 Ų66.332%0.32132%0.322SS..  trans-72.7124.5174.8-164.382.6000110.5K208 I252 G253 F256K208-D250 IonicContact NZ-OD1 2.77Å; K208-D250 PolarHBondContact NZ-OD1 3.31Å; D250-I252 PolarHBondContact OD2-N 3.29Å; D250-G253 PolarHBondContact OD2-N 3.12Å; D250-F256 WeakPolarHBondContact O-CB 3.25Å
251I97.9Very high95.7Very high0 Ų066.8 Ų66.80%032%0.323CS..  trans-111.65.5174.867.5175.6000111.7Y72 L144 Q148 T211 F256 W257Y72-I251 HydrophobicContact CD2-CD1 3.7Å; Y72-I251 HydrophobicContact CE2-CD1 4.1Å; Y72-I251 HydrophobicContact CG-CD1 4.2Å; L144-I251 HydrophobicContact CB-CD1 4.03Å; Q148-I251 HydrophobicContact CB-CG1 4.26Å; T211-I251 HydrophobicContact CG2-CG2 4.32Å; I251-F256 HydrophobicContact CB-CD1 4.06Å; I251-F256 HydrophobicContact CB-CG 4.29Å; I251-F256 HydrophobicContact CG2-CB 4.31Å; I251-F256 HydrophobicContact CG2-CD1 3.73Å; I251-F256 HydrophobicContact CG2-CD2 3.89Å; I251-F256 HydrophobicContact CG2-CE1 3.97Å; I251-F256 HydrophobicContact CG2-CE2 4.11Å; I251-F256 HydrophobicContact CG2-CG 3.69Å; I251-F256 HydrophobicContact CG2-CZ 4.16Å; I251-W257 PolarHBondContact O-NE1 3.24Å
252I98Very high96Very high72 Ų7266.8 Ų66.837%0.36933%0.333SS..SBendtrans-78.2-51.4175.5-62.1167.6000109Q148 D250Q148-I252 HydrophobicContact CB-CD1 4.33Å; Q148-I252 HydrophobicContact CB-CG1 4.26Å; Q148-I252 HydrophobicContact CG-CD1 4.28Å; Q148-I252 HydrophobicContact CG-CG1 4.47Å; D250-I252 PolarHBondContact OD2-N 3.29Å
253G96.3Very high96.2Very high31 Ų3160.3 Ų60.332%0.3231%0.31SS..SBendtrans-69.1167.9177.200000113.6D250 Q255D250-G253 PolarHBondContact OD2-N 3.12Å; G253-Q255 PolarHBondContact O-N 3.16Å
254D97Very high96.2Very high88 Ų8858 Ų5847%0.47130%0.301SS..SBendtrans-71.6-26.7-177-67.5-51.8000114R141 F256 W257 E258R141-D254 IonicContact CZ-OD1 3.88Å; R141-D254 VanDerWaalsContact CZ-OD1 3.3Å; R141-D254 IonicContact NH1-OD1 2.84Å; R141-D254 PolarHBondContact NH1-OD1 2.95Å; R141-D254 IonicContact NH2-OD1 3.26Å; R141-D254 PolarHBondContact NH2-OD1 3.41Å; D254-F256 VanDerWaalsContact C-N 3.34Å; D254-F256 PolarHBondContact O-N 2.64Å; D254-W257 PolarHBondContact O-N 2.94Å; D254-E258 WeakPolarHBondContact O-CG 3.47Å; D254-E258 PolarHBondContact O-N 3.21Å
255Q97.5Very high95.9Very high132 Ų13259.7 Ų59.762%0.61731%0.309SS*.Hα-helixtrans-51-48.2-173.2-177.4179.8-300113.2G253 W257 E258 E259G253-Q255 PolarHBondContact O-N 3.16Å; Q255-W257 VanDerWaalsContact C-N 3.29Å; Q255-W257 PolarHBondContact O-N 2.85Å; Q255-E258 PolarHBondContact O-N 3.38Å; Q255-E259 HydrophobicContact CG-CG 4.42Å; Q255-E259 VanDerWaalsContact CG-OE1 3.3Å; Q255-E259 WeakPolarHBondContact CG-OE1 3.5Å; Q255-E259 PolarHBondContact NE2-OE1 3.01Å; Q255-E259 WeakPolarHBondContact O-CB 3.36Å; Q255-E259 WeakPolarHBondContact O-CG 3.47Å; Q255-E259 PolarHBondContact O-N 3.32Å
256F97.6Very high95.3Very high3 Ų364.5 Ų64.51%0.01334%0.335CS..Hα-helixtrans-60.7-39.9179.2172.9-96.2000112.3I70 T211 I213 D250 I251 D254 E259 H260I70-F256 HydrophobicContact CD1-CE1 3.93Å; I70-F256 HydrophobicContact CD1-CZ 4.08Å; T211-F256 HydrophobicContact CG2-CE2 4.16Å; T211-F256 HydrophobicContact CG2-CZ 3.72Å; I213-F256 HydrophobicContact CD1-CE2 4.41Å; I213-F256 HydrophobicContact CD1-CZ 4.38Å; I213-F256 HydrophobicContact CG2-CZ 4.01Å; D250-F256 WeakPolarHBondContact O-CB 3.25Å; I251-F256 HydrophobicContact CB-CD1 4.06Å; I251-F256 HydrophobicContact CB-CG 4.29Å; I251-F256 HydrophobicContact CG2-CB 4.31Å; I251-F256 HydrophobicContact CG2-CD1 3.73Å; I251-F256 HydrophobicContact CG2-CD2 3.89Å; I251-F256 HydrophobicContact CG2-CE1 3.97Å; I251-F256 HydrophobicContact CG2-CE2 4.11Å; I251-F256 HydrophobicContact CG2-CG 3.69Å; I251-F256 HydrophobicContact CG2-CZ 4.16Å; D254-F256 VanDerWaalsContact C-N 3.34Å; D254-F256 PolarHBondContact O-N 2.64Å; F256-E259 PolarHBondContact O-N 3.31Å; F256-H260 AromaticContact CD2-CD2 3.58Å; F256-H260 AromaticContact CE2-CD2 3.49Å; F256-H260 VanDerWaalsContact CE2-CD2 3.49Å; F256-H260 WeakPolarHBondContact CE2-CD2 3.48Å; F256-H260 WeakPolarHBondContact O-CB 3.22Å; F256-H260 PolarHBondContact O-CD2 3.3Å; F256-H260 VanDerWaalsContact O-CD2 3.25Å; F256-H260 PolarHBondContact O-N 3.24Å
257W96.7Very high94.2Very high15 Ų1568.7 Ų68.76%0.05736%0.355CS..Hα-helixtrans-74.8-31.6-177.9-56.198.4000112I70 R141 L144 I251 D254 Q255 H260 P261 V263 L264I70-W257 HydrophobicContact CD1-CH2 4.18Å; R141-W257 HydrophobicContact CG-CD2 4.17Å; R141-W257 HydrophobicContact CG-CE3 4.49Å; R141-W257 HydrophobicContact CG-CH2 4.23Å; R141-W257 HydrophobicContact CG-CZ2 3.89Å; R141-W257 VanDerWaalsContact NE-CD1 3.33Å; L144-W257 HydrophobicContact CD1-CH2 3.57Å; L144-W257 HydrophobicContact CD1-CZ2 4.08Å; I251-W257 PolarHBondContact O-NE1 3.24Å; D254-W257 PolarHBondContact O-N 2.94Å; Q255-W257 VanDerWaalsContact C-N 3.29Å; Q255-W257 PolarHBondContact O-N 2.85Å; W257-H260 CarbonylContact O-C 3.15Å; W257-P261 WeakPolarHBondContact O-CA 3.3Å; W257-V263 HydrophobicContact CZ3-CB 4.43Å; W257-V263 HydrophobicContact CZ3-CG1 3.81Å; W257-L264 HydrophobicContact CD2-CD1 4.27Å; W257-L264 HydrophobicContact CE3-CD1 3.59Å; W257-L264 HydrophobicContact CE3-CD2 4.17Å; W257-L264 HydrophobicContact CE3-CG 3.7Å; W257-L264 HydrophobicContact CH2-CD2 4.43Å; W257-L264 HydrophobicContact CZ3-CD1 3.97Å; W257-L264 HydrophobicContact CZ3-CD2 3.68Å; W257-L264 HydrophobicContact CZ3-CG 3.7Å
258E96.1Very high92.1Very high147 Ų14775 Ų7569%0.68740%0.399SS*.Hα-helixtrans-71.6-37.3172.8-68.5175.6175.800112.2D254 Q255 H260D254-E258 WeakPolarHBondContact O-CG 3.47Å; D254-E258 PolarHBondContact O-N 3.21Å; Q255-E258 PolarHBondContact O-N 3.38Å; E258-H260 VanDerWaalsContact C-N 3.35Å
259E96Very high91.8Very high114 Ų11473.4 Ų73.453%0.53340%0.398SS..Hα-helixtrans-72-29.3175.6-73.3175.4-173.100112.3Q255 F256 P261Q255-E259 HydrophobicContact CG-CG 4.42Å; Q255-E259 VanDerWaalsContact CG-OE1 3.3Å; Q255-E259 WeakPolarHBondContact CG-OE1 3.5Å; Q255-E259 PolarHBondContact NE2-OE1 3.01Å; Q255-E259 WeakPolarHBondContact O-CB 3.36Å; Q255-E259 WeakPolarHBondContact O-CG 3.47Å; Q255-E259 PolarHBondContact O-N 3.32Å; F256-E259 PolarHBondContact O-N 3.31Å; E259-P261 VanDerWaalsContact C-CD 3.45Å; E259-P261 WeakPolarHBondContact O-CD 3.25Å
260H95.3Very high91.6Very high23 Ų2374.8 Ų74.811%0.10640%0.403CS..  trans-126.262.4-177.5-55-73.1000112.8I213 E215 Y247 F256 W257 E258 D262 V263I213-H260 HydrophobicContact CD1-CB 4.14Å; I213-H260 VanDerWaalsContact CD1-ND1 3.3Å; I213-H260 WeakPolarHBondContact CD1-ND1 3.44Å; E215-H260 IonicContact OE1-CE1 2.98Å; E215-H260 PolarHBondContact OE1-CE1 3.2Å; E215-H260 IonicContact OE1-ND1 3.3Å; E215-H260 PolarHBondContact OE1-ND1 3.07Å; E215-H260 VanDerWaalsContact OE1-ND1 3.11Å; Y247-H260 AromaticContact CE1-CE1 3.82Å; Y247-H260 AromaticContact CE1-NE2 3.72Å; Y247-H260 AromaticContact CZ-CE1 3.8Å; F256-H260 AromaticContact CD2-CD2 3.58Å; F256-H260 AromaticContact CE2-CD2 3.49Å; F256-H260 VanDerWaalsContact CE2-CD2 3.49Å; F256-H260 WeakPolarHBondContact CE2-CD2 3.48Å; F256-H260 WeakPolarHBondContact O-CB 3.22Å; F256-H260 PolarHBondContact O-CD2 3.3Å; F256-H260 VanDerWaalsContact O-CD2 3.25Å; F256-H260 PolarHBondContact O-N 3.24Å; W257-H260 CarbonylContact O-C 3.15Å; E258-H260 VanDerWaalsContact C-N 3.35Å; H260-D262 PolarHBondContact O-N 2.88Å; H260-V263 HydrophobicContact CB-CG2 3.82Å; H260-V263 WeakPolarHBondContact O-CB 3.3Å; H260-V263 WeakPolarHBondContact O-CG2 3.45Å; H260-V263 PolarHBondContact O-N 3.33Å
261P92.9Very high91.2Very high85 Ų8575.7 Ų75.755%0.55241%0.408SS*.G310 helixtrans-63.6-27.1-174.426.5-35.2000112.9W257 E259 V263W257-P261 WeakPolarHBondContact O-CA 3.3Å; E259-P261 VanDerWaalsContact C-CD 3.45Å; E259-P261 WeakPolarHBondContact O-CD 3.25Å; P261-V263 PolarHBondContact O-N 3.13Å; P261-V263 VanDerWaalsContact O-N 3.16Å
262D90.9Very high90.8Very high131 Ų13180.1 Ų80.170%0.70143%0.432SS*.G310 helixtrans-68.9-7.9-179.8-69.3-13.1000114H260H260-D262 PolarHBondContact O-N 2.88Å
263V93.2Very high90.4Very high11 Ų1180.6 Ų80.67%0.06744%0.436CS..G310 helixtrans-75-40-179.91740000111.5I70 I213 W257 H260 P261I70-V263 HydrophobicContact CB-CG1 3.74Å; I70-V263 HydrophobicContact CD1-CG1 4.02Å; I70-V263 HydrophobicContact CG1-CG1 4.45Å; I70-V263 HydrophobicContact CG2-CG1 3.85Å; I213-V263 HydrophobicContact CB-CG2 4.34Å; I213-V263 HydrophobicContact CG2-CG2 3.83Å; W257-V263 HydrophobicContact CZ3-CB 4.43Å; W257-V263 HydrophobicContact CZ3-CG1 3.81Å; H260-V263 HydrophobicContact CB-CG2 3.82Å; H260-V263 WeakPolarHBondContact O-CB 3.3Å; H260-V263 WeakPolarHBondContact O-CG2 3.45Å; H260-V263 PolarHBondContact O-N 3.33Å; P261-V263 PolarHBondContact O-N 3.13Å; P261-V263 VanDerWaalsContact O-N 3.16Å
264L93Very high90Very high30 Ų3083.9 Ų83.916%0.15744%0.443CS..SBendtrans-91.3148176.3-62177000109.1N137 L140 R141 W257N137-L264 HydrophobicContact CB-CD1 4.33Å; L140-L264 HydrophobicContact CD2-CD2 3.73Å; R141-L264 HydrophobicContact CG-CD1 4.08Å; W257-L264 HydrophobicContact CD2-CD1 4.27Å; W257-L264 HydrophobicContact CE3-CD1 3.59Å; W257-L264 HydrophobicContact CE3-CD2 4.17Å; W257-L264 HydrophobicContact CE3-CG 3.7Å; W257-L264 HydrophobicContact CH2-CD2 4.43Å; W257-L264 HydrophobicContact CZ3-CD1 3.97Å; W257-L264 HydrophobicContact CZ3-CD2 3.68Å; W257-L264 HydrophobicContact CZ3-CG 3.7Å
265E89.6Confident89.5Confident40 Ų4083.6 Ų83.619%0.18744%0.441CS..PPolyproline II helixtrans-83.6149.9173-77.4171.4114.800108.1Y23 K83 R84 T85 N137Y23-E265 PolarHBondContact OH-N 2.76Å; K83-E265 WeakPolarHBondContact CA-OE2 3.45Å; K83-E265 WeakPolarHBondContact CB-OE2 3.23Å; R84-E265 WeakPolarHBondContact CA-OE2 3.09Å; R84-E265 WeakPolarHBondContact CB-OE2 3.21Å; R84-E265 WeakPolarHBondContact CG-OE2 3.45Å; R84-E265 PolarHBondContact N-OE2 3.09Å; R84-E265 IonicContact NE-OE2 2.68Å; R84-E265 PolarHBondContact NH2-O 3.09Å; T85-E265 WeakPolarHBondContact CB-OE1 3.28Å; T85-E265 WeakPolarHBondContact CG2-OE1 3.3Å; T85-E265 PolarHBondContact N-OE1 3.34Å; T85-E265 PolarHBondContact OG1-OE1 3.08Å; N137-E265 PolarHBondContact ND2-O 3.17Å
266D85.3Confident88.9Confident136 Ų13679.9 Ų79.973%0.72743%0.428SS*.PPolyproline II helixtrans-56.7142171.3-65.7-34.2000110.4R84 T268R84-D266 PolarHBondContact NH2-O 2.9Å; D266-T268 WeakPolarHBondContact CB-OG1 3.45Å; D266-T268 PolarHBondContact O-N 3.19Å; D266-T268 VanDerWaalsContact O-N 3.13Å
267D73.4Confident88.1Confident112 Ų11286.3 Ų86.360%0.59946%0.463SS*.  trans-77.415.6178.1-74.7-41.4000113.6R84 N137R84-D267 IonicContact CZ-OD1 3.49Å; R84-D267 IonicContact NH1-OD1 3.5Å; R84-D267 PolarHBondContact NH1-OD1 2.95Å; R84-D267 IonicContact NH2-OD1 3.49Å; R84-D267 PolarHBondContact NH2-OD1 2.9Å; N137-D267 VanDerWaalsContact ND2-CG 3.31Å; N137-D267 PolarHBondContact ND2-OD1 3.33Å; N137-D267 VanDerWaalsContact ND2-OD1 3.09Å; N137-D267 PolarHBondContact ND2-OD2 3.18Å; N137-D267 VanDerWaalsContact ND2-OD2 3.13Å
268T55.1Low87.3Confident192 Ų19292.8 Ų92.8100%1.17850%0.499SS*.  trans-81.10-175.944.10000114.8D266D266-T268 WeakPolarHBondContact CB-OG1 3.45Å; D266-T268 PolarHBondContact O-N 3.19Å; D266-T268 VanDerWaalsContact O-N 3.13Å

Retrieved 268 of 268 residues in 284.1 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).