A0A087XF14_POEFO Loading...

Basonuclin zinc finger protein 1

AlphaFold DB , UniProt , Accession A0A087XF14, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,045 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.4Very low72.2Confident246 Ų24698.5 Ų98.5100%1.21257%0.569SS**  0147.90-69.6170.7174.500107.7
2A42.4Very low73.4Confident102 Ų10292 Ų9284%0.84353%0.533SS*.PPolyproline II helixtrans-75.9132.1167.300000108.9
3E57.2Low74.4Confident168 Ų16897.1 Ų97.179%0.78556%0.557SS**PPolyproline II helixtrans-73.5135.3179.8-168170.2-156.200110.4I5E3-I5 PolarHBondContact O-N 2.78Å
4A74Confident75.5Confident66 Ų6691 Ų9155%0.54552%0.523SS..PPolyproline II helixtrans-80.4118.2-171.600000111.3C6 D15A4-C6 PolarHBondContact O-N 3.5Å; A4-D15 WeakPolarHBondContact CB-O 3.27Å
5I83.7Confident76.2Confident46 Ų4692.9 Ų92.924%0.23653%0.531CS..  trans-76.192.3-178-53-179.1000109.7E3 S16 F17 W34 H37 S40E3-I5 PolarHBondContact O-N 2.78Å; I5-S16 CarbonylContact O-C 3.55Å; I5-F17 PolarHBondContact O-N 3.49Å; I5-F17 VanDerWaalsContact O-N 3.07Å; I5-W34 HydrophobicContact CD1-CH2 3.87Å; I5-W34 HydrophobicContact CD1-CZ3 4.16Å; I5-H37 VanDerWaalsContact CG2-C 3.4Å; I5-H37 HydrophobicContact CG2-CB 3.89Å; I5-H37 VanDerWaalsContact CG2-O 3.23Å; I5-H37 WeakPolarHBondContact CG2-O 3.41Å; I5-H37 PolarHBondContact O-ND1 2.89Å; I5-S40 WeakPolarHBondContact CG2-OG 3.37Å
6C86.3Confident76.9Confident49 Ų4990 Ų9033%0.33152%0.518SS..  trans-76.6160.1179.868.30000113A4 C14 D15 H37 S40A4-C6 PolarHBondContact O-N 3.5Å; C6-C14 CarbonylContact C-O 3.48Å; C6-C14 VanDerWaalsContact CA-O 3.3Å; C6-C14 WeakPolarHBondContact CA-O 3.48Å; C6-D15 WeakPolarHBondContact CA-O 3.14Å; C6-D15 PolarHBondContact N-O 3.4Å; C6-H37 WeakPolarHBondContact O-CA 3.47Å; C6-H37 VanDerWaalsContact O-O 3.11Å; C6-S40 WeakPolarHBondContact O-CB 3.32Å; C6-S40 PolarHBondContact O-OG 3.33Å; C6-S40 VanDerWaalsContact SG-CB 3.59Å
7C87.8Confident77.6Confident12 Ų1286.4 Ų86.48%0.08150%0.495CS..  trans-79.9132.2177.5-160.40000111.3C12 C14 H32 H37C7-C12 HydrophobicContact CB-CB 4.22Å; C7-C12 VanDerWaalsContact CB-SG 3.56Å; C7-C14 HydrophobicContact CB-CB 3.96Å; C7-C14 PolarHBondContact N-O 3.14Å; C7-H32 PolarHBondContact SG-ND1 3.29Å; C7-H37 PolarHBondContact N-ND1 3.03Å
8T85.4Confident78.1Confident40 Ų4087.7 Ų87.725%0.24549%0.494CS..  trans-104.515.8-179.571.30000114.7A36 K43T8-A36 PolarHBondContact N-O 3.41Å; T8-A36 PolarHBondContact OG1-O 3.01Å; T8-K43 VanDerWaalsContact CB-NZ 3.28Å; T8-K43 HydrophobicContact CG2-CD 4.29Å; T8-K43 PolarHBondContact OG1-NZ 3.46Å
9L82.9Confident78.6Confident68 Ų6886.6 Ų86.636%0.35649%0.49SS..SBendtrans-80.1141.7169.6-81.6164.3000110.7N11 C12 H32 A36L9-N11 PolarHBondContact O-N 3.41Å; L9-C12 HydrophobicContact CB-CB 4.31Å; L9-C12 WeakPolarHBondContact O-CB 3.24Å; L9-C12 PolarHBondContact O-N 3Å; L9-H32 HydrophobicContact CD1-CB 3.76Å; L9-H32 VanDerWaalsContact CD1-CG 3.42Å; L9-A36 HydrophobicContact CD1-CB 3.56Å; L9-A36 HydrophobicContact CG-CB 3.8Å
10V79.7Confident78.9Confident125 Ų12582.4 Ų82.476%0.75847%0.467SS*.THydrogen-bonded Turntrans-57.8136.5178.6-173.10000109.5C12V10-C12 VanDerWaalsContact C-N 3.35Å; V10-C12 PolarHBondContact O-N 2.76Å
11N81Confident78.9Confident162 Ų16287.9 Ų87.987%0.86649%0.486SS*.THydrogen-bonded Turntrans65.123.5-177.3-50.6-27.4000115.8L9L9-N11 PolarHBondContact O-N 3.41Å
12C87.1Confident81Confident20 Ų2084.6 Ų84.614%0.13547%0.473CS..  trans-117.598.1178.4-174.70000114.2C7 L9 V10 C14 C30 H32C7-C12 HydrophobicContact CB-CB 4.22Å; C7-C12 VanDerWaalsContact CB-SG 3.56Å; L9-C12 HydrophobicContact CB-CB 4.31Å; L9-C12 WeakPolarHBondContact O-CB 3.24Å; L9-C12 PolarHBondContact O-N 3Å; V10-C12 VanDerWaalsContact C-N 3.35Å; V10-C12 PolarHBondContact O-N 2.76Å; C12-C14 VanDerWaalsContact C-N 3.3Å; C12-C14 PolarHBondContact O-N 3.16Å; C12-C30 VanDerWaalsContact SG-CB 3.6Å; C12-H32 VanDerWaalsContact SG-CE1 3.52Å; C12-H32 PolarHBondContact SG-ND1 3.46Å
13N86.2Confident83Confident158 Ų15885.9 Ų85.985%0.84546%0.459SS*.  trans-84.463.7177.9-56.5-8.2000111.4
14C90Very high84.3Confident12 Ų1284.9 Ų84.98%0.08145%0.448CS..  trans-118.697.2-177.3-171.70000111C6 C7 C12 S16 N29 C30C6-C14 CarbonylContact C-O 3.48Å; C6-C14 VanDerWaalsContact CA-O 3.3Å; C6-C14 WeakPolarHBondContact CA-O 3.48Å; C7-C14 HydrophobicContact CB-CB 3.96Å; C7-C14 PolarHBondContact N-O 3.14Å; C12-C14 VanDerWaalsContact C-N 3.3Å; C12-C14 PolarHBondContact O-N 3.16Å; C14-S16 VanDerWaalsContact C-N 3.33Å; C14-S16 PolarHBondContact O-N 3.32Å; C14-S16 PolarHBondContact SG-O 3.02Å; C14-N29 VanDerWaalsContact SG-CB 3.57Å; C14-C30 HydrophobicContact CB-CB 3.74Å
15D85.6Confident85Confident120 Ų12083.1 Ų83.164%0.64243%0.427SS*.  trans-74.3-18.2-165.5-46-55.7000114.8A4 C6A4-D15 WeakPolarHBondContact CB-O 3.27Å; C6-D15 WeakPolarHBondContact CA-O 3.14Å; C6-D15 PolarHBondContact N-O 3.4Å
16S87.4Confident85.3Confident46 Ų4683.7 Ų83.732%0.32243%0.429SS..SBendtrans-137.7143178.1530000112I5 C14I5-S16 CarbonylContact O-C 3.55Å; C14-S16 VanDerWaalsContact C-N 3.33Å; C14-S16 PolarHBondContact O-N 3.32Å; C14-S16 PolarHBondContact SG-O 3.02Å
17F88.4Confident85.5Confident29 Ų2981.4 Ų81.413%0.12741%0.413CS..  trans-79133.3168.1-176.4-105.1000110.5I5 P19 R24 C27 W34 H37 Y70I5-F17 PolarHBondContact O-N 3.49Å; I5-F17 VanDerWaalsContact O-N 3.07Å; F17-P19 HydrophobicContact CE1-CB 3.81Å; F17-P19 HydrophobicContact CE1-CG 4.44Å; F17-P19 HydrophobicContact CZ-CB 4.33Å; F17-R24 WeakPolarHBondContact CZ-O 3.44Å; F17-C27 HydrophobicContact CD2-CB 3.69Å; F17-C27 HydrophobicContact CE2-CB 3.75Å; F17-W34 HydrophobicContact CB-CZ3 4.32Å; F17-W34 AromaticContact CD1-CE3 3.54Å; F17-W34 HydrophobicContact CD1-CE3 3.54Å; F17-W34 AromaticContact CD1-CZ3 3.55Å; F17-W34 HydrophobicContact CD1-CZ3 3.55Å; F17-W34 HydrophobicContact CD2-CE3 4.01Å; F17-W34 HydrophobicContact CE1-CD2 4.47Å; F17-W34 AromaticContact CE1-CE3 3.52Å; F17-W34 HydrophobicContact CE1-CE3 3.52Å; F17-W34 AromaticContact CE1-CZ3 3.93Å; F17-W34 HydrophobicContact CE1-CZ3 3.93Å; F17-W34 HydrophobicContact CE2-CB 4.33Å; F17-W34 AromaticContact CE2-CE3 4Å; F17-W34 HydrophobicContact CE2-CE3 4Å; F17-W34 AromaticContact CG-CE3 3.78Å; F17-W34 HydrophobicContact CG-CE3 3.78Å; F17-W34 AromaticContact CG-CZ3 3.89Å; F17-W34 HydrophobicContact CG-CZ3 3.89Å; F17-W34 HydrophobicContact CZ-CB 4.22Å; F17-W34 HydrophobicContact CZ-CD2 4.5Å; F17-W34 AromaticContact CZ-CE3 3.76Å; F17-W34 HydrophobicContact CZ-CE3 3.76Å; F17-H37 HydrophobicContact CB-CB 4.11Å; F17-H37 HydrophobicContact CD2-CB 3.91Å; F17-H37 AromaticContact CD2-CD2 3.72Å; F17-H37 AromaticContact CD2-CG 3.67Å; F17-H37 HydrophobicContact CG-CB 4.31Å; F17-Y70 HydrophobicContact CE1-CE1 4.2Å
18K87.8Confident85.7Confident110 Ų11084.9 Ų84.948%0.47843%0.431SS..  trans-127.7114.2169.1-60.6-167.6-171.4177.30109.1G20 C27 D28 N29K18-G20 PolarHBondContact O-N 2.81Å; K18-C27 CarbonylContact O-C 3.56Å; K18-C27 WeakPolarHBondContact O-CA 3.36Å; K18-D28 PolarHBondContact O-N 3.44Å; K18-N29 WeakPolarHBondContact CD-OD1 3.32Å
19P86.7Confident85.9Confident66 Ų6687.8 Ų87.843%0.42945%0.445SS..EExtended strand (participates in β ladder)trans-65.8124.3-173.925-33.2000111.2F17 R24F17-P19 HydrophobicContact CE1-CB 3.81Å; F17-P19 HydrophobicContact CE1-CG 4.44Å; F17-P19 HydrophobicContact CZ-CB 4.33Å; P19-R24 WeakPolarHBondContact CB-O 3.3Å
20G84.9Confident86.2Confident3 Ų385.8 Ų85.83%0.03144%0.437CS..EExtended strand (participates in β ladder)trans-73.3139.3-171.500000114K18 L22 K23 R24 Q26 D28K18-G20 PolarHBondContact O-N 2.81Å; G20-L22 PolarHBondContact O-N 3Å; G20-K23 PolarHBondContact N-O 3.44Å; G20-K23 CarbonylContact O-C 3.02Å; G20-K23 PolarHBondContact O-N 3.31Å; G20-R24 PolarHBondContact O-N 2.91Å; G20-Q26 WeakPolarHBondContact CA-O 3.39Å; G20-Q26 PolarHBondContact N-O 3.34Å; G20-D28 VanDerWaalsContact CA-CG 3.45Å; G20-D28 WeakPolarHBondContact CA-OD1 3.43Å
21K79.9Confident86.7Confident198 Ų19887.2 Ų87.286%0.86143%0.433SS*.THydrogen-bonded Turntrans-53.3-32.6-170-60.6-176.9-178-177.70115.2
22L77.4Confident87.1Confident177 Ų17782.5 Ų82.593%0.92741%0.405SS*.THydrogen-bonded Turntrans-103.3-10.2178.7-66.9172.7000113.6G20G20-L22 PolarHBondContact O-N 3Å
23K82.7Confident87.1Confident129 Ų12982.8 Ų82.856%0.56141%0.412SS*.EExtended strand (participates in β ladder)trans-152.188.7-173-74.9176.5174.9-177.50109G20 R25 Q26G20-K23 PolarHBondContact N-O 3.44Å; G20-K23 CarbonylContact O-C 3.02Å; G20-K23 PolarHBondContact O-N 3.31Å; K23-R25 PolarHBondContact O-N 2.65Å; K23-Q26 HydrophobicContact CB-CB 3.87Å; K23-Q26 HydrophobicContact CD-CB 4.33Å; K23-Q26 PolarHBondContact O-N 3.27Å
24R84.6Confident87.4Confident146 Ų14676.4 Ų76.455%0.55138%0.376SS*.EExtended strand (participates in β ladder)trans-52.2-30.2-178.2-68-173.5177.6-169.61.6113.7F17 P19 G20 D103F17-R24 WeakPolarHBondContact CZ-O 3.44Å; P19-R24 WeakPolarHBondContact CB-O 3.3Å; G20-R24 PolarHBondContact O-N 2.91Å; R24-D103 IonicContact NH1-OD2 3.16Å; R24-D103 PolarHBondContact NH1-OD2 3.07Å; R24-D103 VanDerWaalsContact NH1-OD2 3.16Å
25R88.6Confident87.5Confident29 Ų2976 Ų7611%0.10937%0.373CS..EExtended strand (participates in β ladder)trans-85.87.4176.7-56.9-175.282.8-1154.6115.4K23 G33 W34 L67 Y70 G71 T72 M129 E133K23-R25 PolarHBondContact O-N 2.65Å; R25-G33 CarbonylContact O-C 3.54Å; R25-G33 WeakPolarHBondContact O-CA 3.23Å; R25-W34 HydrophobicContact CB-CB 4.12Å; R25-W34 PolarHBondContact O-N 2.69Å; R25-L67 PolarHBondContact NH2-O 2.87Å; R25-Y70 WeakPolarHBondContact CD-O 3.13Å; R25-Y70 WeakPolarHBondContact CG-O 3.4Å; R25-Y70 PolarHBondContact NE-O 3.32Å; R25-G71 WeakPolarHBondContact CD-O 3.45Å; R25-T72 VanDerWaalsContact CD-CG2 3.47Å; R25-M129 PolarHBondContact NH2-SD 3.47Å; R25-E133 IonicContact CZ-OE1 2.83Å; R25-E133 IonicContact NH1-OE1 2.8Å; R25-E133 PolarHBondContact NH1-OE1 3.19Å; R25-E133 IonicContact NH1-OE2 3.86Å; R25-E133 PolarHBondContact NH1-OE2 3.47Å; R25-E133 IonicContact NH2-OE1 2.88Å; R25-E133 PolarHBondContact NH2-OE1 2.85Å
26Q90.5Very high87.6Confident59 Ų5971 Ų7128%0.27635%0.348SS..EExtended strand (participates in β ladder)trans-116.7134.9176.2-170.216620.800109.2G20 K23 K31G20-Q26 WeakPolarHBondContact CA-O 3.39Å; G20-Q26 PolarHBondContact N-O 3.34Å; K23-Q26 HydrophobicContact CB-CB 3.87Å; K23-Q26 HydrophobicContact CD-CB 4.33Å; K23-Q26 PolarHBondContact O-N 3.27Å; Q26-K31 WeakPolarHBondContact CG-O 3.47Å; Q26-K31 PolarHBondContact NE2-O 3.03Å
27C90.8Very high87.7Confident0 Ų068.8 Ų68.80%033%0.333CS..EExtended strand (participates in β ladder)trans-76.8124.7178.7-173.20000110.6F17 K18 N29 C30 K31 H32F17-C27 HydrophobicContact CD2-CB 3.69Å; F17-C27 HydrophobicContact CE2-CB 3.75Å; K18-C27 CarbonylContact O-C 3.56Å; K18-C27 WeakPolarHBondContact O-CA 3.36Å; C27-N29 PolarHBondContact O-N 2.66Å; C27-C30 VanDerWaalsContact CB-SG 3.57Å; C27-K31 WeakPolarHBondContact O-CA 3.1Å; C27-K31 PolarHBondContact O-N 3.02Å; C27-H32 PolarHBondContact N-O 2.93Å
28D91.8Very high87.8Confident85 Ų8567.6 Ų67.646%0.45533%0.329SS..THydrogen-bonded Turntrans-63.2-30.5179.1-97.7-7.3000112.5K18 G20K18-D28 PolarHBondContact O-N 3.44Å; G20-D28 VanDerWaalsContact CA-CG 3.45Å; G20-D28 WeakPolarHBondContact CA-OD1 3.43Å
29N88.9Confident87.7Confident101 Ų10163.1 Ų63.154%0.5431%0.31SS..THydrogen-bonded Turntrans-72.1-54.6-179-85.371.8000113.3C14 K18 C27C14-N29 VanDerWaalsContact SG-CB 3.57Å; K18-N29 WeakPolarHBondContact CD-OD1 3.32Å; C27-N29 PolarHBondContact O-N 2.66Å
30C90.2Very high87.6Confident27 Ų2760.7 Ų60.718%0.18230%0.295CS..THydrogen-bonded Turntrans-109.9-5.1-172.666.20000114.5C12 C14 C27 H32 H37C12-C30 VanDerWaalsContact SG-CB 3.6Å; C14-C30 HydrophobicContact CB-CB 3.74Å; C27-C30 VanDerWaalsContact CB-SG 3.57Å; C30-H32 PolarHBondContact O-N 2.83Å; C30-H32 VanDerWaalsContact O-N 3.13Å; C30-H37 PolarHBondContact SG-NE2 3.37Å
31K89.6Confident87.3Confident154 Ų15464.7 Ų64.767%0.6731%0.311SS*.  trans61.711-176.7-58173.3-175.3170.30114.9Q26 C27Q26-K31 WeakPolarHBondContact CG-O 3.47Å; Q26-K31 PolarHBondContact NE2-O 3.03Å; C27-K31 WeakPolarHBondContact O-CA 3.1Å; C27-K31 PolarHBondContact O-N 3.02Å
32H89.4Confident87.1Confident63 Ų6355.4 Ų55.429%0.29227%0.271SS..  trans-80.5160.6173.1-61.8139.9000112.9C7 L9 C12 C27 C30 A36C7-H32 PolarHBondContact SG-ND1 3.29Å; L9-H32 HydrophobicContact CD1-CB 3.76Å; L9-H32 VanDerWaalsContact CD1-CG 3.42Å; C12-H32 VanDerWaalsContact SG-CE1 3.52Å; C12-H32 PolarHBondContact SG-ND1 3.46Å; C27-H32 PolarHBondContact N-O 2.93Å; C30-H32 PolarHBondContact O-N 2.83Å; C30-H32 VanDerWaalsContact O-N 3.13Å; H32-A36 HydrophobicContact CB-CB 4.36Å
33G88.6Confident86.3Confident26 Ų2651.3 Ų51.327%0.26825%0.246SC..BIsolated β-bridgetrans-72.7157.4-179.700000113.6R25 V35 A36R25-G33 CarbonylContact O-C 3.54Å; R25-G33 WeakPolarHBondContact O-CA 3.23Å; G33-V35 VanDerWaalsContact C-N 3.29Å; G33-V35 PolarHBondContact O-N 3.06Å; G33-A36 WeakPolarHBondContact O-CB 3.43Å; G33-A36 PolarHBondContact O-N 2.93Å; G33-A36 VanDerWaalsContact O-N 3.11Å
34W91.3Very high84.8Confident24 Ų2449.8 Ų49.89%0.09125%0.247CC..Hα-helixtrans-53.5-43.7177.5167.1-117.7000112.4I5 F17 R25 A36 H37 A38 S66 Y70I5-W34 HydrophobicContact CD1-CH2 3.87Å; I5-W34 HydrophobicContact CD1-CZ3 4.16Å; F17-W34 HydrophobicContact CB-CZ3 4.32Å; F17-W34 AromaticContact CD1-CE3 3.54Å; F17-W34 HydrophobicContact CD1-CE3 3.54Å; F17-W34 AromaticContact CD1-CZ3 3.55Å; F17-W34 HydrophobicContact CD1-CZ3 3.55Å; F17-W34 HydrophobicContact CD2-CE3 4.01Å; F17-W34 HydrophobicContact CE1-CD2 4.47Å; F17-W34 AromaticContact CE1-CE3 3.52Å; F17-W34 HydrophobicContact CE1-CE3 3.52Å; F17-W34 AromaticContact CE1-CZ3 3.93Å; F17-W34 HydrophobicContact CE1-CZ3 3.93Å; F17-W34 HydrophobicContact CE2-CB 4.33Å; F17-W34 AromaticContact CE2-CE3 4Å; F17-W34 HydrophobicContact CE2-CE3 4Å; F17-W34 AromaticContact CG-CE3 3.78Å; F17-W34 HydrophobicContact CG-CE3 3.78Å; F17-W34 AromaticContact CG-CZ3 3.89Å; F17-W34 HydrophobicContact CG-CZ3 3.89Å; F17-W34 HydrophobicContact CZ-CB 4.22Å; F17-W34 HydrophobicContact CZ-CD2 4.5Å; F17-W34 AromaticContact CZ-CE3 3.76Å; F17-W34 HydrophobicContact CZ-CE3 3.76Å; R25-W34 HydrophobicContact CB-CB 4.12Å; R25-W34 PolarHBondContact O-N 2.69Å; W34-A36 VanDerWaalsContact C-N 3.28Å; W34-A36 PolarHBondContact O-N 3.47Å; W34-H37 CarbonylContact O-C 3.07Å; W34-H37 WeakPolarHBondContact O-CA 3.38Å; W34-H37 WeakPolarHBondContact O-CB 3.41Å; W34-H37 PolarHBondContact O-N 3.34Å; W34-A38 HydrophobicContact CD2-CB 4.08Å; W34-A38 HydrophobicContact CE3-CB 4.42Å; W34-A38 HydrophobicContact CH2-CB 4.15Å; W34-A38 HydrophobicContact CZ2-CB 3.77Å; W34-A38 HydrophobicContact CZ3-CB 4.45Å; W34-A38 PolarHBondContact O-N 2.91Å; W34-S66 PolarHBondContact NE1-O 3.3Å; W34-Y70 AromaticContact CD1-CD1 3.76Å; W34-Y70 AromaticContact CD2-CD1 3.77Å; W34-Y70 HydrophobicContact CD2-CD1 3.77Å; W34-Y70 HydrophobicContact CD2-CE1 4.11Å; W34-Y70 AromaticContact CE2-CD1 3.72Å; W34-Y70 HydrophobicContact CE3-CD1 4.45Å; W34-Y70 HydrophobicContact CE3-CE1 4.35Å; W34-Y70 AromaticContact CG-CD1 3.79Å; W34-Y70 HydrophobicContact CG-CD1 3.79Å; W34-Y70 HydrophobicContact CG-CE1 4.36Å; W34-Y70 HydrophobicContact CZ2-CD1 4.35Å; W34-Y70 AromaticContact NE1-CD1 3.7Å
35V91.3Very high83.2Confident3 Ų347.5 Ų47.52%0.01824%0.242CC..Hα-helixtrans-59.7-37.6179.4177.70000111.8G33 H37 L39 L67 M129 E133 A136G33-V35 VanDerWaalsContact C-N 3.29Å; G33-V35 PolarHBondContact O-N 3.06Å; V35-H37 PolarHBondContact O-N 3.36Å; V35-L39 HydrophobicContact CG1-CD1 3.79Å; V35-L39 HydrophobicContact CG1-CG 4.06Å; V35-L39 VanDerWaalsContact O-CB 3.26Å; V35-L39 WeakPolarHBondContact O-CB 3.49Å; V35-L39 WeakPolarHBondContact O-CD1 3.27Å; V35-L39 WeakPolarHBondContact O-CG 3.48Å; V35-L39 PolarHBondContact O-N 3Å; V35-L67 HydrophobicContact CG1-CD2 4.28Å; V35-L67 HydrophobicContact CG2-CB 4.36Å; V35-L67 HydrophobicContact CG2-CD2 4.36Å; V35-M129 HydrophobicContact CG2-SD 3.96Å; V35-E133 HydrophobicContact CB-CB 4.34Å; V35-E133 HydrophobicContact CB-CG 4.08Å; V35-E133 HydrophobicContact CG2-CB 3.98Å; V35-E133 HydrophobicContact CG2-CG 4Å; V35-A136 HydrophobicContact CG1-CB 4.24Å
36A89.3Confident81.4Confident15 Ų1550.6 Ų50.612%0.12426%0.258CS..Hα-helixtrans-63.4-30.7176.600000112.9T8 L9 H32 G33 W34T8-A36 PolarHBondContact N-O 3.41Å; T8-A36 PolarHBondContact OG1-O 3.01Å; L9-A36 HydrophobicContact CD1-CB 3.56Å; L9-A36 HydrophobicContact CG-CB 3.8Å; H32-A36 HydrophobicContact CB-CB 4.36Å; G33-A36 WeakPolarHBondContact O-CB 3.43Å; G33-A36 PolarHBondContact O-N 2.93Å; G33-A36 VanDerWaalsContact O-N 3.11Å; W34-A36 VanDerWaalsContact C-N 3.28Å; W34-A36 PolarHBondContact O-N 3.47Å
37H89.6Confident79.3Confident0 Ų054.9 Ų54.90%028%0.28CS..Hα-helixtrans-80.8-57.3173.2-87.1-96.5000112I5 C6 C7 F17 C30 W34 V35 L39 S40I5-H37 VanDerWaalsContact CG2-C 3.4Å; I5-H37 HydrophobicContact CG2-CB 3.89Å; I5-H37 VanDerWaalsContact CG2-O 3.23Å; I5-H37 WeakPolarHBondContact CG2-O 3.41Å; I5-H37 PolarHBondContact O-ND1 2.89Å; C6-H37 WeakPolarHBondContact O-CA 3.47Å; C6-H37 VanDerWaalsContact O-O 3.11Å; C7-H37 PolarHBondContact N-ND1 3.03Å; F17-H37 HydrophobicContact CB-CB 4.11Å; F17-H37 HydrophobicContact CD2-CB 3.91Å; F17-H37 AromaticContact CD2-CD2 3.72Å; F17-H37 AromaticContact CD2-CG 3.67Å; F17-H37 HydrophobicContact CG-CB 4.31Å; C30-H37 PolarHBondContact SG-NE2 3.37Å; W34-H37 CarbonylContact O-C 3.07Å; W34-H37 WeakPolarHBondContact O-CA 3.38Å; W34-H37 WeakPolarHBondContact O-CB 3.41Å; W34-H37 PolarHBondContact O-N 3.34Å; V35-H37 PolarHBondContact O-N 3.36Å; H37-L39 PolarHBondContact O-N 3.47Å; H37-L39 VanDerWaalsContact O-N 3.1Å; H37-S40 WeakPolarHBondContact O-CB 3.44Å; H37-S40 PolarHBondContact O-N 3.26Å; H37-S40 PolarHBondContact O-OG 3.18Å
38A89.5Confident77Confident5 Ų563.9 Ų63.94%0.04132%0.319CS..Hα-helixtrans-60.2-24.7-175.700000113.9W34 S40 K41 L42 L67W34-A38 HydrophobicContact CD2-CB 4.08Å; W34-A38 HydrophobicContact CE3-CB 4.42Å; W34-A38 HydrophobicContact CH2-CB 4.15Å; W34-A38 HydrophobicContact CZ2-CB 3.77Å; W34-A38 HydrophobicContact CZ3-CB 4.45Å; W34-A38 PolarHBondContact O-N 2.91Å; A38-S40 PolarHBondContact O-N 3.4Å; A38-K41 PolarHBondContact O-N 2.92Å; A38-L42 PolarHBondContact O-N 3.02Å; A38-L67 HydrophobicContact CB-CD2 3.51Å
39L86.7Confident74.9Confident15 Ų1564.1 Ų64.18%0.07932%0.317CS..Hα-helixtrans-62.9-14.1169.6-77.5173.4000114.4V35 H37 K43 L67 A136 Q140V35-L39 HydrophobicContact CG1-CD1 3.79Å; V35-L39 HydrophobicContact CG1-CG 4.06Å; V35-L39 VanDerWaalsContact O-CB 3.26Å; V35-L39 WeakPolarHBondContact O-CB 3.49Å; V35-L39 WeakPolarHBondContact O-CD1 3.27Å; V35-L39 WeakPolarHBondContact O-CG 3.48Å; V35-L39 PolarHBondContact O-N 3Å; H37-L39 PolarHBondContact O-N 3.47Å; H37-L39 VanDerWaalsContact O-N 3.1Å; L39-K43 HydrophobicContact CB-CD 4.46Å; L39-K43 WeakPolarHBondContact O-CB 3.38Å; L39-K43 VanDerWaalsContact O-CD 3.29Å; L39-K43 WeakPolarHBondContact O-CD 3.28Å; L39-K43 WeakPolarHBondContact O-CG 3.46Å; L39-K43 PolarHBondContact O-N 3Å; L39-L67 HydrophobicContact CD2-CD1 4.37Å; L39-A136 HydrophobicContact CD1-CB 4.29Å; L39-Q140 HydrophobicContact CD2-CG 4.01Å
40S83.3Confident72.8Confident16 Ų1665 Ų6511%0.11233%0.331CS..Hα-helixtrans-61.2-61.217153.30000110.6I5 C6 H37 A38 L42 K43 V44I5-S40 WeakPolarHBondContact CG2-OG 3.37Å; C6-S40 WeakPolarHBondContact O-CB 3.32Å; C6-S40 PolarHBondContact O-OG 3.33Å; C6-S40 VanDerWaalsContact SG-CB 3.59Å; H37-S40 WeakPolarHBondContact O-CB 3.44Å; H37-S40 PolarHBondContact O-N 3.26Å; H37-S40 PolarHBondContact O-OG 3.18Å; A38-S40 PolarHBondContact O-N 3.4Å; S40-L42 VanDerWaalsContact C-N 3.31Å; S40-L42 PolarHBondContact O-N 2.86Å; S40-K43 PolarHBondContact O-N 2.92Å; S40-K43 VanDerWaalsContact O-N 3.16Å; S40-V44 PolarHBondContact O-N 3.06Å
41K79.6Confident71Confident86 Ų8669.4 Ų69.437%0.37436%0.362SS..Hα-helixtrans-51.8-47175.7-171.1170.5-175.2-82.50112A38 D63A38-K41 PolarHBondContact O-N 2.92Å; K41-D63 IonicContact NZ-OD1 3.3Å; K41-D63 PolarHBondContact NZ-OD1 3Å; K41-D63 IonicContact NZ-OD2 3.24Å; K41-D63 PolarHBondContact NZ-OD2 2.96Å
42L74.9Confident69.4Low4 Ų468 Ų682%0.02136%0.358CS..Hα-helixtrans-71-30.2-179.6-80167.7000114.8A38 S40 D63 I64 L67 Q140 R143A38-L42 PolarHBondContact O-N 3.02Å; S40-L42 VanDerWaalsContact C-N 3.31Å; S40-L42 PolarHBondContact O-N 2.86Å; L42-D63 HydrophobicContact CD2-CB 3.77Å; L42-D63 HydrophobicContact CG-CB 4.21Å; L42-I64 HydrophobicContact CD2-CG1 4.38Å; L42-L67 HydrophobicContact CD1-CD1 3.61Å; L42-L67 HydrophobicContact CD1-CD2 3.96Å; L42-L67 HydrophobicContact CD1-CG 3.8Å; L42-Q140 HydrophobicContact CD1-CG 4.49Å; L42-R143 PolarHBondContact O-NH1 3Å
43K61Low68.4Low91 Ų9169.4 Ų69.440%0.39637%0.371SS..Hα-helixtrans-71-30178.9-82.2167.3-179.4170.50112.8T8 L39 S40 H45 H46T8-K43 VanDerWaalsContact CB-NZ 3.28Å; T8-K43 HydrophobicContact CG2-CD 4.29Å; T8-K43 PolarHBondContact OG1-NZ 3.46Å; L39-K43 HydrophobicContact CB-CD 4.46Å; L39-K43 WeakPolarHBondContact O-CB 3.38Å; L39-K43 VanDerWaalsContact O-CD 3.29Å; L39-K43 WeakPolarHBondContact O-CD 3.28Å; L39-K43 WeakPolarHBondContact O-CG 3.46Å; L39-K43 PolarHBondContact O-N 3Å; S40-K43 PolarHBondContact O-N 2.92Å; S40-K43 VanDerWaalsContact O-N 3.16Å; K43-H45 VanDerWaalsContact C-N 3.3Å; K43-H45 PolarHBondContact O-N 2.79Å; K43-H46 WeakPolarHBondContact O-CB 3.4Å; K43-H46 PolarHBondContact O-N 3.41Å
44V52.1Low67.8Low97 Ų9769.4 Ų69.459%0.58836%0.364SS*.Hα-helixtrans-56.7-45.3177.1176.20000110.9S40 H46 M47S40-V44 PolarHBondContact O-N 3.06Å; V44-H46 VanDerWaalsContact C-N 3.31Å; V44-H46 PolarHBondContact O-N 3.42Å; V44-M47 PolarHBondContact O-N 2.79Å
45H50.8Low67Low98 Ų9873.9 Ų73.945%0.45439%0.389SS..Hα-helixtrans-65.6-28.6177-69.3-94.3000113.7K43 M47 R143K43-H45 VanDerWaalsContact C-N 3.3Å; K43-H45 PolarHBondContact O-N 2.79Å; H45-M47 VanDerWaalsContact C-N 3.3Å; H45-M47 PolarHBondContact O-N 3.33Å; H45-R143 VanDerWaalsContact CB-NH2 3.32Å
46H50.9Low66.5Low94 Ų9474.8 Ų74.844%0.43539%0.394SS..Hα-helixtrans-74.1-16.6-176.4-170.3-69.9000113.4K43 V44 F48K43-H46 WeakPolarHBondContact O-CB 3.4Å; K43-H46 PolarHBondContact O-N 3.41Å; V44-H46 VanDerWaalsContact C-N 3.31Å; V44-H46 PolarHBondContact O-N 3.42Å; H46-F48 VanDerWaalsContact C-N 3.25Å; H46-F48 PolarHBondContact O-N 3.23Å
47M44.9Very low66.2Low149 Ų14979.3 Ų79.373%0.73441%0.413SS*.THydrogen-bonded Turntrans-73.7-11.9-173.7-67.1-91.263.900114.5V44 H45V44-M47 PolarHBondContact O-N 2.79Å; H45-M47 VanDerWaalsContact C-N 3.3Å; H45-M47 PolarHBondContact O-N 3.33Å
48F44Very low66.1Low188 Ų18881 Ų8183%0.82542%0.424SS*.SBendtrans-113.3-15.5-171.8-79.2-83.5000116.3H46H46-F48 VanDerWaalsContact C-N 3.25Å; H46-F48 PolarHBondContact O-N 3.23Å
49Q48.1Very low66Low90 Ų9086.9 Ų86.942%0.42146%0.455SS..  trans-137.169.5-169.7-73177.4-45.500113.1Q52Q49-Q52 HydrophobicContact CB-CB 4.31Å; Q49-Q52 HydrophobicContact CG-CB 4.24Å
50S44.8Very low66.1Low119 Ų11987.2 Ų87.283%0.83246%0.458SS*.SBendtrans-80.4-14173.355.50000114.4
51S50.8Low66.4Low120 Ų12086.4 Ų86.484%0.83945%0.452SS*.SBendtrans-117.4-15.2-17757.60000114.7
52Q56.6Low67Low125 Ų12585.5 Ų85.558%0.58445%0.448SS*.SBendtrans-102.2136.2-176.8-166.416918.700110.1Q49 E54Q49-Q52 HydrophobicContact CB-CB 4.31Å; Q49-Q52 HydrophobicContact CG-CB 4.24Å; Q52-E54 PolarHBondContact O-N 3.3Å
53V69.3Low67.7Low93 Ų9386.3 Ų86.356%0.56445%0.453SS*.PPolyproline II helixtrans-71.8127.7174.8177.10000109.2G145V53-G145 VanDerWaalsContact CG1-N 3.3Å
54E74.8Confident69.2Low25 Ų2582 Ų8212%0.11743%0.434CS..PPolyproline II helixtrans-74.5132.9178.4-168.6168.3-161.900110.8Q52 R143 F144Q52-E54 PolarHBondContact O-N 3.3Å; E54-R143 HydrophobicContact CB-CB 4.34Å; E54-R143 VanDerWaalsContact CD-NH2 3.26Å; E54-R143 PolarHBondContact N-O 3.4Å; E54-R143 VanDerWaalsContact N-O 3.08Å; E54-R143 IonicContact OE1-CZ 3.6Å; E54-R143 IonicContact OE1-NH2 2.65Å; E54-R143 PolarHBondContact OE1-NH2 3.34Å; E54-R143 WeakPolarHBondContact OE2-CB 3.35Å; E54-R143 IonicContact OE2-CZ 3.34Å; E54-R143 IonicContact OE2-NE 2.61Å; E54-R143 PolarHBondContact OE2-NE 2.82Å; E54-R143 IonicContact OE2-NH2 2.69Å; E54-R143 PolarHBondContact OE2-NH2 2.95Å; E54-F144 HydrophobicContact CB-CD1 4.22Å; E54-F144 HydrophobicContact CB-CE1 4.11Å; E54-F144 HydrophobicContact CG-CE1 4.03Å
55I74.1Confident71.1Confident119 Ų11977.4 Ų77.461%0.6141%0.406SS*.PPolyproline II helixtrans-76.1132.6-178.7-58.2176.2000109.1H57I55-H57 WeakPolarHBondContact CG2-NE2 3.23Å; I55-H57 PolarHBondContact O-N 3.46Å
56V81.1Confident73.2Confident22 Ų2273.2 Ų73.213%0.13339%0.388CS..  trans-73.191.8-178.9-173.20000110V61 L86 V89 L90 F144V56-V61 HydrophobicContact CG1-CG2 3.47Å; V56-V61 VanDerWaalsContact CG1-CG2 3.47Å; V56-L86 HydrophobicContact CG1-CD2 4.43Å; V56-L86 HydrophobicContact CG2-CD2 4.19Å; V56-V89 HydrophobicContact CB-CB 4.27Å; V56-V89 HydrophobicContact CB-CG1 4.01Å; V56-V89 HydrophobicContact CG1-CB 4.09Å; V56-V89 HydrophobicContact CG1-CG1 4.32Å; V56-L90 HydrophobicContact CG1-CD2 4.33Å; V56-F144 HydrophobicContact CG2-CB 4.46Å; V56-F144 HydrophobicContact CG2-CD1 3.93Å; V56-F144 HydrophobicContact CG2-CG 4.47Å
57H84.2Confident75.1Confident110 Ų11068.7 Ų68.751%0.50937%0.367SS..  trans-103147.1171.6-69.2-67.7000111.2I55 N59 V60 V61I55-H57 WeakPolarHBondContact CG2-NE2 3.23Å; I55-H57 PolarHBondContact O-N 3.46Å; H57-N59 VanDerWaalsContact C-N 3.27Å; H57-N59 PolarHBondContact O-N 2.86Å; H57-V60 HydrophobicContact CB-CG2 4.38Å; H57-V60 PolarHBondContact O-N 3.29Å; H57-V61 PolarHBondContact O-N 3Å
58S86.9Confident77.4Confident34 Ų3461.6 Ų61.624%0.23833%0.332CS..Hα-helixtrans-52-40-179.133.60000113.6V60 V61 F62 E94 I98S58-V60 PolarHBondContact O-N 3.46Å; S58-V61 PolarHBondContact O-N 3.48Å; S58-F62 WeakPolarHBondContact O-CB 3.44Å; S58-F62 PolarHBondContact O-N 3.32Å; S58-E94 WeakPolarHBondContact CB-OE1 3.44Å; S58-E94 PolarHBondContact OG-OE1 2.83Å; S58-I98 WeakPolarHBondContact O-CD1 3.47Å
59N87.5Confident79.7Confident129 Ų12952.7 Ų52.769%0.6929%0.293SS*.Hα-helixtrans-62.5-40.1175-67.3-22.7000113.7H57 F62 D63H57-N59 VanDerWaalsContact C-N 3.27Å; H57-N59 PolarHBondContact O-N 2.86Å; N59-F62 WeakPolarHBondContact O-CB 3.46Å; N59-F62 PolarHBondContact O-N 3.11Å; N59-D63 PolarHBondContact O-N 3.42Å; N59-D63 VanDerWaalsContact O-N 3.12Å
60V87.9Confident81.8Confident22 Ų2251.1 Ų51.113%0.13328%0.283CS..Hα-helixtrans-74.1-39.1-179.3-176.60000110.3H57 S58 F62 D63 I64 F144H57-V60 HydrophobicContact CB-CG2 4.38Å; H57-V60 PolarHBondContact O-N 3.29Å; S58-V60 PolarHBondContact O-N 3.46Å; V60-F62 VanDerWaalsContact C-N 3.35Å; V60-D63 PolarHBondContact O-N 3.43Å; V60-I64 PolarHBondContact O-N 2.95Å; V60-F144 HydrophobicContact CG1-CE1 3.78Å; V60-F144 HydrophobicContact CG1-CZ 3.69Å
61V89.9Confident83.8Confident0 Ų046.3 Ų46.30%025%0.252CS..Hα-helixtrans-64.8-40.1172.7-179.70000110.6V56 H57 S58 I64 C65 L86 F87 L90 I98V56-V61 HydrophobicContact CG1-CG2 3.47Å; V56-V61 VanDerWaalsContact CG1-CG2 3.47Å; H57-V61 PolarHBondContact O-N 3Å; S58-V61 PolarHBondContact O-N 3.48Å; V61-I64 PolarHBondContact O-N 2.81Å; V61-C65 WeakPolarHBondContact O-CB 3.39Å; V61-C65 PolarHBondContact O-N 3.13Å; V61-C65 PolarHBondContact O-SG 3.48Å; V61-L86 HydrophobicContact CG1-CB 4.22Å; V61-L86 HydrophobicContact CG2-CB 4.15Å; V61-L86 HydrophobicContact CG2-CD1 4.36Å; V61-F87 HydrophobicContact CG1-CD1 3.84Å; V61-F87 HydrophobicContact CG1-CE1 3.67Å; V61-L90 HydrophobicContact CB-CD1 3.92Å; V61-L90 HydrophobicContact CG1-CD1 3.89Å; V61-L90 HydrophobicContact CG2-CD1 3.99Å; V61-L90 HydrophobicContact CG2-CG 4.45Å; V61-I98 HydrophobicContact CB-CD1 4.32Å; V61-I98 HydrophobicContact CG1-CD1 4.24Å
62F92.4Very high85.7Confident67 Ų6740.8 Ų40.829%0.29421%0.214SC..Hα-helixtrans-57.3-49.4173.9176.5-94.6000112.1S58 N59 V60 I64 C65 S66 I98 A101 L102S58-F62 WeakPolarHBondContact O-CB 3.44Å; S58-F62 PolarHBondContact O-N 3.32Å; N59-F62 WeakPolarHBondContact O-CB 3.46Å; N59-F62 PolarHBondContact O-N 3.11Å; V60-F62 VanDerWaalsContact C-N 3.35Å; F62-I64 VanDerWaalsContact C-N 3.26Å; F62-I64 PolarHBondContact O-N 2.67Å; F62-C65 PolarHBondContact O-N 3.23Å; F62-S66 WeakPolarHBondContact O-CB 3.12Å; F62-S66 PolarHBondContact O-N 3.25Å; F62-I98 HydrophobicContact CB-CG1 4.17Å; F62-I98 HydrophobicContact CD2-CG1 4.35Å; F62-I98 HydrophobicContact CD2-CG2 4.21Å; F62-A101 HydrophobicContact CE2-CB 3.86Å; F62-L102 HydrophobicContact CD2-CD1 4.41Å; F62-L102 HydrophobicContact CE2-CD1 4.24Å; F62-L102 HydrophobicContact CE2-CD2 3.87Å; F62-L102 HydrophobicContact CE2-CG 3.87Å; F62-L102 HydrophobicContact CZ-CD2 4Å; F62-L102 HydrophobicContact CZ-CG 4.5Å
63D90.4Very high87.5Confident21 Ų2137.3 Ų37.311%0.11220%0.197CC..Hα-helixtrans-60.6-36.1179.3-81.5-25.7000112.1K41 L42 N59 V60 S66 L67K41-D63 IonicContact NZ-OD1 3.3Å; K41-D63 PolarHBondContact NZ-OD1 3Å; K41-D63 IonicContact NZ-OD2 3.24Å; K41-D63 PolarHBondContact NZ-OD2 2.96Å; L42-D63 HydrophobicContact CD2-CB 3.77Å; L42-D63 HydrophobicContact CG-CB 4.21Å; N59-D63 PolarHBondContact O-N 3.42Å; N59-D63 VanDerWaalsContact O-N 3.12Å; V60-D63 PolarHBondContact O-N 3.43Å; D63-S66 WeakPolarHBondContact O-CB 3.45Å; D63-S66 PolarHBondContact O-N 2.86Å; D63-S66 PolarHBondContact O-OG 2.85Å; D63-L67 PolarHBondContact O-N 3.12Å
64I91.2Very high88.7Confident0 Ų033.7 Ų33.70%018%0.177CC..Hα-helixtrans-74.1-41.8175.8-69.8177.3000112.1L42 V60 V61 F62 S66 L67 L83 Q140 F141 F144L42-I64 HydrophobicContact CD2-CG1 4.38Å; V60-I64 PolarHBondContact O-N 2.95Å; V61-I64 PolarHBondContact O-N 2.81Å; F62-I64 VanDerWaalsContact C-N 3.26Å; F62-I64 PolarHBondContact O-N 2.67Å; I64-S66 PolarHBondContact O-N 3.1Å; I64-L67 WeakPolarHBondContact O-CB 3.43Å; I64-L67 PolarHBondContact O-N 3.21Å; I64-L67 VanDerWaalsContact O-N 3.12Å; I64-L83 HydrophobicContact CG2-CD2 4.44Å; I64-Q140 HydrophobicContact CD1-CB 4.25Å; I64-Q140 HydrophobicContact CG1-CB 4.43Å; I64-F141 HydrophobicContact CG2-CE1 3.98Å; I64-F141 HydrophobicContact CG2-CE2 3.83Å; I64-F141 HydrophobicContact CG2-CZ 3.53Å; I64-F144 HydrophobicContact CD1-CD2 4.49Å; I64-F144 HydrophobicContact CD1-CE2 3.26Å; I64-F144 HydrophobicContact CD1-CZ 3.39Å
65C93.6Very high89.6Confident0 Ų033 Ų330%017%0.174CC..Hα-helixtrans-58.5-36.1170.9-70.80000111V61 F62 L67 M68 L69 L83 F87 I98 L102V61-C65 WeakPolarHBondContact O-CB 3.39Å; V61-C65 PolarHBondContact O-N 3.13Å; V61-C65 PolarHBondContact O-SG 3.48Å; F62-C65 PolarHBondContact O-N 3.23Å; C65-L67 VanDerWaalsContact C-N 3.29Å; C65-L67 PolarHBondContact O-N 3.25Å; C65-M68 PolarHBondContact O-N 3.02Å; C65-M68 VanDerWaalsContact O-N 3.1Å; C65-L69 HydrophobicContact CB-CD1 4.13Å; C65-L69 WeakPolarHBondContact O-CB 3.5Å; C65-L69 WeakPolarHBondContact O-CG 3.34Å; C65-L69 PolarHBondContact O-N 3.37Å; C65-L83 VanDerWaalsContact SG-CD2 3.57Å; C65-F87 VanDerWaalsContact SG-CE1 3.52Å; C65-F87 WeakPolarHBondContact SG-CZ 3.07Å; C65-I98 HydrophobicContact CB-CG2 3.8Å; C65-L102 HydrophobicContact CB-CD1 3.53Å
66S92.9Very high90.6Very high10 Ų1027.7 Ų27.77%0.0715%0.148CC..Hα-helixtrans-61.5-34.5176.491.50000112.4W34 F62 D63 I64 M68 Y70W34-S66 PolarHBondContact NE1-O 3.3Å; F62-S66 WeakPolarHBondContact O-CB 3.12Å; F62-S66 PolarHBondContact O-N 3.25Å; D63-S66 WeakPolarHBondContact O-CB 3.45Å; D63-S66 PolarHBondContact O-N 2.86Å; D63-S66 PolarHBondContact O-OG 2.85Å; I64-S66 PolarHBondContact O-N 3.1Å; S66-M68 VanDerWaalsContact C-N 3.3Å; S66-M68 PolarHBondContact O-N 2.85Å; S66-Y70 WeakPolarHBondContact O-CB 3.5Å
67L91.8Very high91.2Very high0 Ų033.2 Ų33.20%018%0.175CC..Hα-helixtrans-60.6-42.3174.4-63.7-174.3000111.4R25 V35 A38 L39 L42 D63 I64 C65 T137 Q140R25-L67 PolarHBondContact NH2-O 2.87Å; V35-L67 HydrophobicContact CG1-CD2 4.28Å; V35-L67 HydrophobicContact CG2-CB 4.36Å; V35-L67 HydrophobicContact CG2-CD2 4.36Å; A38-L67 HydrophobicContact CB-CD2 3.51Å; L39-L67 HydrophobicContact CD2-CD1 4.37Å; L42-L67 HydrophobicContact CD1-CD1 3.61Å; L42-L67 HydrophobicContact CD1-CD2 3.96Å; L42-L67 HydrophobicContact CD1-CG 3.8Å; D63-L67 PolarHBondContact O-N 3.12Å; I64-L67 WeakPolarHBondContact O-CB 3.43Å; I64-L67 PolarHBondContact O-N 3.21Å; I64-L67 VanDerWaalsContact O-N 3.12Å; C65-L67 VanDerWaalsContact C-N 3.29Å; C65-L67 PolarHBondContact O-N 3.25Å; L67-T137 HydrophobicContact CB-CG2 4.18Å; L67-T137 HydrophobicContact CD1-CG2 4.03Å; L67-Q140 HydrophobicContact CD1-CG 4.11Å
68M92.3Very high91.7Very high0 Ų030.5 Ų30.50%016%0.16CC..Hα-helixtrans-90.4-44.8-168.6-65.4176.946.600114.5C65 S66 T72 I75 L79 L83 M129 T137 F141C65-M68 PolarHBondContact O-N 3.02Å; C65-M68 VanDerWaalsContact O-N 3.1Å; S66-M68 VanDerWaalsContact C-N 3.3Å; S66-M68 PolarHBondContact O-N 2.85Å; M68-T72 WeakPolarHBondContact O-CG2 3.35Å; M68-T72 PolarHBondContact O-OG1 3.46Å; M68-I75 HydrophobicContact CE-CG2 3.43Å; M68-I75 VanDerWaalsContact CE-CG2 3.43Å; M68-L79 HydrophobicContact CE-CB 3.31Å; M68-L79 HydrophobicContact CE-CD1 4.21Å; M68-L79 HydrophobicContact CE-CG 4.38Å; M68-L79 HydrophobicContact CG-CD1 4.15Å; M68-L79 HydrophobicContact SD-CB 3.8Å; M68-L79 HydrophobicContact SD-CD1 4.18Å; M68-L79 HydrophobicContact SD-CG 4.46Å; M68-L83 HydrophobicContact CE-CD1 3.29Å; M68-L83 HydrophobicContact CE-CG 3.67Å; M68-L83 HydrophobicContact SD-CD1 3.75Å; M68-L83 HydrophobicContact SD-CD2 4.13Å; M68-L83 HydrophobicContact SD-CG 3.76Å; M68-M129 HydrophobicContact CG-CE 3.98Å; M68-T137 HydrophobicContact CG-CG2 3.82Å; M68-T137 HydrophobicContact SD-CG2 4.26Å; M68-F141 HydrophobicContact SD-CE2 3.86Å; M68-F141 HydrophobicContact SD-CZ 3.82Å
69L92.9Very high92Very high0 Ų028.9 Ų28.90%015%0.149CC..Hα-helixtrans-95-33.5-166.5-56.3-174.7000112.3C65 G71 T72 I75 L99 L102 W104C65-L69 HydrophobicContact CB-CD1 4.13Å; C65-L69 WeakPolarHBondContact O-CB 3.5Å; C65-L69 WeakPolarHBondContact O-CG 3.34Å; C65-L69 PolarHBondContact O-N 3.37Å; L69-G71 PolarHBondContact O-N 2.83Å; L69-T72 WeakPolarHBondContact CA-OG1 3.45Å; L69-T72 PolarHBondContact O-N 2.88Å; L69-T72 VanDerWaalsContact O-N 3.09Å; L69-T72 PolarHBondContact O-OG1 3.47Å; L69-I75 HydrophobicContact CD2-CD1 3.59Å; L69-I75 HydrophobicContact CD2-CG1 3.76Å; L69-L99 HydrophobicContact CD1-CD2 3.55Å; L69-L102 HydrophobicContact CB-CB 4.23Å; L69-L102 HydrophobicContact CB-CD1 4.16Å; L69-L102 HydrophobicContact CD1-CD1 4.19Å; L69-W104 HydrophobicContact CB-CG 4.41Å; L69-W104 HydrophobicContact CD2-CD2 4.27Å; L69-W104 HydrophobicContact CD2-CZ2 4.22Å; L69-W104 PolarHBondContact O-NE1 3.12Å
70Y91.9Very high92.4Very high58 Ų5824.3 Ų24.323%0.22712%0.123CC..THydrogen-bonded Turntrans-56.2114-178.7-179.9-103.7000110.9F17 R25 W34 S66 T72F17-Y70 HydrophobicContact CE1-CE1 4.2Å; R25-Y70 WeakPolarHBondContact CD-O 3.13Å; R25-Y70 WeakPolarHBondContact CG-O 3.4Å; R25-Y70 PolarHBondContact NE-O 3.32Å; W34-Y70 AromaticContact CD1-CD1 3.76Å; W34-Y70 AromaticContact CD2-CD1 3.77Å; W34-Y70 HydrophobicContact CD2-CD1 3.77Å; W34-Y70 HydrophobicContact CD2-CE1 4.11Å; W34-Y70 AromaticContact CE2-CD1 3.72Å; W34-Y70 HydrophobicContact CE3-CD1 4.45Å; W34-Y70 HydrophobicContact CE3-CE1 4.35Å; W34-Y70 AromaticContact CG-CD1 3.79Å; W34-Y70 HydrophobicContact CG-CD1 3.79Å; W34-Y70 HydrophobicContact CG-CE1 4.36Å; W34-Y70 HydrophobicContact CZ2-CD1 4.35Å; W34-Y70 AromaticContact NE1-CD1 3.7Å; S66-Y70 WeakPolarHBondContact O-CB 3.5Å; Y70-T72 PolarHBondContact O-N 3.22Å
71G88Confident92.7Very high17 Ų1726.8 Ų26.818%0.17513%0.134CC..THydrogen-bonded Turntrans65.512.8178.300000116.1R25 L69 Q73R25-G71 WeakPolarHBondContact CD-O 3.45Å; L69-G71 PolarHBondContact O-N 2.83Å; G71-Q73 PolarHBondContact O-NE2 3.4Å
72T91.1Very high92.9Very high5 Ų526.8 Ų26.83%0.03113%0.134CC..  trans-97.4162166.3650000110.1R25 M68 L69 Y70 W104 A127 M129R25-T72 VanDerWaalsContact CD-CG2 3.47Å; M68-T72 WeakPolarHBondContact O-CG2 3.35Å; M68-T72 PolarHBondContact O-OG1 3.46Å; L69-T72 WeakPolarHBondContact CA-OG1 3.45Å; L69-T72 PolarHBondContact O-N 2.88Å; L69-T72 VanDerWaalsContact O-N 3.09Å; L69-T72 PolarHBondContact O-OG1 3.47Å; Y70-T72 PolarHBondContact O-N 3.22Å; T72-W104 PolarHBondContact O-NE1 2.68Å; T72-A127 WeakPolarHBondContact CA-O 3.46Å; T72-A127 WeakPolarHBondContact CB-O 3.39Å; T72-M129 HydrophobicContact CG2-CB 4.39Å
73Q93.1Very high93Very high51 Ų5123.6 Ų23.624%0.23812%0.12CC..SBendtrans-120.8-0.9171.4-59.377.94000112.2G71 Y113 V114 L123 W126 A127G71-Q73 PolarHBondContact O-NE2 3.4Å; Q73-Y113 CarbonylContact O-C 3.59Å; Q73-Y113 WeakPolarHBondContact O-CA 3.19Å; Q73-Y113 VanDerWaalsContact O-CB 3.29Å; Q73-Y113 WeakPolarHBondContact O-CB 3.35Å; Q73-V114 HydrophobicContact CB-CB 4.22Å; Q73-V114 HydrophobicContact CB-CG2 4.49Å; Q73-V114 PolarHBondContact O-N 3.03Å; Q73-L123 HydrophobicContact CB-CD1 4.23Å; Q73-L123 HydrophobicContact CG-CD1 3.96Å; Q73-W126 HydrophobicContact CB-CB 4.28Å; Q73-W126 HydrophobicContact CB-CG 4.39Å; Q73-A127 PolarHBondContact N-O 2.89Å
74A93.8Very high93.2Very high17 Ų1724.8 Ų24.814%0.1413%0.127CC..BIsolated β-bridgetrans-146.9138.7177.500000111.3W126 A127 I128A74-W126 HydrophobicContact CB-CB 4.04Å; A74-A127 PolarHBondContact N-O 2.66Å; A74-I128 HydrophobicContact CB-CB 4.36Å
75I95Very high93.4Very high11 Ų1130 Ų306%0.05615%0.146CC..  trans-99.1130.2-175.5-45176.5000110.3M68 L69 I77 K80 W104 Y109 G112M68-I75 HydrophobicContact CE-CG2 3.43Å; M68-I75 VanDerWaalsContact CE-CG2 3.43Å; L69-I75 HydrophobicContact CD2-CD1 3.59Å; L69-I75 HydrophobicContact CD2-CG1 3.76Å; I75-I77 PolarHBondContact O-N 3.16Å; I75-K80 HydrophobicContact CB-CB 4.49Å; I75-K80 HydrophobicContact CG2-CB 3.95Å; I75-W104 HydrophobicContact CD1-CE3 4.39Å; I75-W104 HydrophobicContact CD1-CH2 4.01Å; I75-W104 HydrophobicContact CD1-CZ3 3.83Å; I75-W104 HydrophobicContact CG1-CH2 3.47Å; I75-W104 VanDerWaalsContact CG1-CH2 3.47Å; I75-W104 HydrophobicContact CG1-CZ2 4.11Å; I75-W104 HydrophobicContact CG1-CZ3 3.81Å; I75-Y109 HydrophobicContact CD1-CD2 3.6Å; I75-Y109 HydrophobicContact CD1-CE2 3.78Å; I75-G112 PolarHBondContact N-O 2.76Å
76P94.8Very high93.3Very high8 Ų830 Ų305%0.05215%0.146CC..  trans-58.8131169.3-23.734.4000111.9R78 L79 K80 I128 M129 E134P76-R78 VanDerWaalsContact C-N 3.27Å; P76-R78 PolarHBondContact O-N 3.38Å; P76-L79 HydrophobicContact CB-CD1 4.19Å; P76-L79 HydrophobicContact CB-CG 4.36Å; P76-L79 HydrophobicContact CG-CD1 4.09Å; P76-L79 PolarHBondContact O-N 3.37Å; P76-K80 PolarHBondContact O-N 3.42Å; P76-I128 HydrophobicContact CG-CD1 4.18Å; P76-I128 HydrophobicContact CG-CG1 3.93Å; P76-M129 HydrophobicContact CG-CB 4.19Å; P76-E134 VanDerWaalsContact CB-OE1 3.27Å; P76-E134 WeakPolarHBondContact CB-OE1 3.24Å
77I94Very high93.3Very high138 Ų13830 Ų3071%0.70815%0.146SC*.Hα-helixtrans-57.6-39.7-172-60.4173.8000111.9I75 L79 K80 I81I75-I77 PolarHBondContact O-N 3.16Å; I77-L79 VanDerWaalsContact C-N 3.31Å; I77-L79 PolarHBondContact O-N 3.47Å; I77-K80 PolarHBondContact O-N 3.48Å; I77-I81 HydrophobicContact CG2-CD1 4.13Å; I77-I81 WeakPolarHBondContact O-CG1 3.42Å; I77-I81 PolarHBondContact O-N 2.94Å; I77-I81 VanDerWaalsContact O-N 3.11Å
78R93.7Very high93.3Very high52 Ų5231.7 Ų31.720%0.19616%0.157CC..Hα-helixtrans-56.2-46.8177.6-66.5172.261.4159.11.3111.3P76 E134 M154 D158P76-R78 VanDerWaalsContact C-N 3.27Å; P76-R78 PolarHBondContact O-N 3.38Å; R78-E134 WeakPolarHBondContact CB-OE1 3.48Å; R78-E134 WeakPolarHBondContact CD-OE1 3.41Å; R78-M154 HydrophobicContact CB-CE 4.08Å; R78-M154 HydrophobicContact CB-SD 3.88Å; R78-M154 HydrophobicContact CG-CE 4.41Å; R78-M154 HydrophobicContact CG-SD 4.23Å; R78-D158 IonicContact CZ-OD1 3.63Å; R78-D158 IonicContact CZ-OD2 3.6Å; R78-D158 VanDerWaalsContact CZ-OD2 3.3Å; R78-D158 VanDerWaalsContact NH1-CG 3.28Å; R78-D158 IonicContact NH1-OD1 3.41Å; R78-D158 PolarHBondContact NH1-OD1 3.07Å; R78-D158 IonicContact NH1-OD2 2.66Å; R78-D158 PolarHBondContact NH1-OD2 2.94Å; R78-D158 IonicContact NH2-OD1 2.98Å; R78-D158 IonicContact NH2-OD2 3.39Å; R78-D158 PolarHBondContact NH2-OD2 3.37Å
79L94.1Very high93.3Very high0 Ų035.3 Ų35.30%018%0.179CC..Hα-helixtrans-76.5-33.9-178.5-60.2176.2000112.6M68 P76 I77 I81 L82 L83 M129 E134 T137 L138 F141M68-L79 HydrophobicContact CE-CB 3.31Å; M68-L79 HydrophobicContact CE-CD1 4.21Å; M68-L79 HydrophobicContact CE-CG 4.38Å; M68-L79 HydrophobicContact CG-CD1 4.15Å; M68-L79 HydrophobicContact SD-CB 3.8Å; M68-L79 HydrophobicContact SD-CD1 4.18Å; M68-L79 HydrophobicContact SD-CG 4.46Å; P76-L79 HydrophobicContact CB-CD1 4.19Å; P76-L79 HydrophobicContact CB-CG 4.36Å; P76-L79 HydrophobicContact CG-CD1 4.09Å; P76-L79 PolarHBondContact O-N 3.37Å; I77-L79 VanDerWaalsContact C-N 3.31Å; I77-L79 PolarHBondContact O-N 3.47Å; L79-I81 VanDerWaalsContact C-N 3.29Å; L79-I81 PolarHBondContact O-N 3.27Å; L79-L82 HydrophobicContact CD2-CD1 4.34Å; L79-L82 PolarHBondContact O-N 2.8Å; L79-L83 PolarHBondContact O-N 2.79Å; L79-M129 HydrophobicContact CD1-CE 3.13Å; L79-E134 HydrophobicContact CD1-CB 4.27Å; L79-E134 HydrophobicContact CD1-CG 3.96Å; L79-E134 HydrophobicContact CD2-CG 4.48Å; L79-E134 HydrophobicContact CG-CG 4.11Å; L79-T137 HydrophobicContact CD1-CG2 4.33Å; L79-T137 HydrophobicContact CD2-CG2 4.27Å; L79-L138 HydrophobicContact CD2-CD2 3.65Å; L79-L138 HydrophobicContact CD2-CG 3.76Å; L79-F141 HydrophobicContact CD2-CD2 4.29Å; L79-F141 HydrophobicContact CD2-CE2 4Å
80K94.8Very high93.2Very high33 Ų3335.8 Ų35.814%0.14318%0.181CC..Hα-helixtrans-59.3-40.2172.1176.3161.6169.956.90111.6I75 P76 I77 L82 L83 D84 Y109I75-K80 HydrophobicContact CB-CB 4.49Å; I75-K80 HydrophobicContact CG2-CB 3.95Å; P76-K80 PolarHBondContact O-N 3.42Å; I77-K80 PolarHBondContact O-N 3.48Å; K80-L82 PolarHBondContact O-N 3.41Å; K80-L83 PolarHBondContact O-N 2.66Å; K80-D84 WeakPolarHBondContact CG-OD2 3.48Å; K80-D84 IonicContact NZ-OD1 3.24Å; K80-D84 PolarHBondContact NZ-OD1 3.25Å; K80-D84 IonicContact NZ-OD2 2.79Å; K80-D84 PolarHBondContact NZ-OD2 2.86Å; K80-D84 WeakPolarHBondContact O-CB 3.06Å; K80-D84 PolarHBondContact O-N 3.19Å; K80-Y109 VanDerWaalsContact CE-O 3.31Å; K80-Y109 WeakPolarHBondContact CE-O 3.15Å; K80-Y109 VanDerWaalsContact NZ-CZ 3.33Å; K80-Y109 PolarHBondContact NZ-O 3.33Å; K80-Y109 PolarHBondContact NZ-OH 3.49Å
81I95Very high93.2Very high74 Ų7439.7 Ų39.738%0.37920%0.2SC..Hα-helixtrans-58.3-30.2175-68.1161.7000112I77 L79 M154I77-I81 HydrophobicContact CG2-CD1 4.13Å; I77-I81 WeakPolarHBondContact O-CG1 3.42Å; I77-I81 PolarHBondContact O-N 2.94Å; I77-I81 VanDerWaalsContact O-N 3.11Å; L79-I81 VanDerWaalsContact C-N 3.29Å; L79-I81 PolarHBondContact O-N 3.27Å; I81-M154 HydrophobicContact CD1-CE 4.45Å
82L95Very high93.4Very high0 Ų041 Ų410%020%0.201CC..Hα-helixtrans-85.5-38.8179-55.3172.6000112.1L79 K80 R85 L86 L138 F141 T147 I150 V151L79-L82 HydrophobicContact CD2-CD1 4.34Å; L79-L82 PolarHBondContact O-N 2.8Å; K80-L82 PolarHBondContact O-N 3.41Å; L82-R85 WeakPolarHBondContact O-CB 3.29Å; L82-R85 PolarHBondContact O-N 2.58Å; L82-R85 VanDerWaalsContact O-N 3.12Å; L82-L86 PolarHBondContact O-N 3.37Å; L82-L86 VanDerWaalsContact O-N 3.08Å; L82-L138 HydrophobicContact CD1-CD2 3.55Å; L82-F141 HydrophobicContact CB-CD1 3.61Å; L82-F141 HydrophobicContact CB-CD2 4.4Å; L82-F141 HydrophobicContact CB-CE1 3.51Å; L82-F141 HydrophobicContact CB-CE2 4.34Å; L82-F141 HydrophobicContact CB-CG 4.04Å; L82-F141 HydrophobicContact CB-CZ 3.9Å; L82-F141 HydrophobicContact CD1-CB 3.98Å; L82-F141 HydrophobicContact CD1-CD1 4.25Å; L82-F141 HydrophobicContact CD1-CD2 3.88Å; L82-F141 HydrophobicContact CD1-CE2 4.36Å; L82-F141 HydrophobicContact CD1-CG 3.81Å; L82-F141 HydrophobicContact CG-CD1 4.5Å; L82-T147 HydrophobicContact CB-CG2 4Å; L82-T147 HydrophobicContact CD2-CG2 4.04Å; L82-I150 HydrophobicContact CD2-CB 3.82Å; L82-I150 HydrophobicContact CD2-CD1 4.46Å; L82-I150 HydrophobicContact CD2-CG2 3.67Å; L82-V151 HydrophobicContact CD1-CG2 3.63Å; L82-V151 HydrophobicContact CD2-CG2 3.95Å; L82-V151 HydrophobicContact CG-CG2 4.46Å
83L94.5Very high93.5Very high0 Ų046.2 Ų46.20%023%0.225CC..Hα-helixtrans-63.4-39.3170.3-75.3-171.4000112.2I64 C65 M68 L79 K80 R85 L86 F87 Y109 F141I64-L83 HydrophobicContact CG2-CD2 4.44Å; C65-L83 VanDerWaalsContact SG-CD2 3.57Å; M68-L83 HydrophobicContact CE-CD1 3.29Å; M68-L83 HydrophobicContact CE-CG 3.67Å; M68-L83 HydrophobicContact SD-CD1 3.75Å; M68-L83 HydrophobicContact SD-CD2 4.13Å; M68-L83 HydrophobicContact SD-CG 3.76Å; L79-L83 PolarHBondContact O-N 2.79Å; K80-L83 PolarHBondContact O-N 2.66Å; L83-R85 PolarHBondContact O-N 3.45Å; L83-R85 VanDerWaalsContact O-N 3.09Å; L83-L86 PolarHBondContact O-N 3.1Å; L83-L86 VanDerWaalsContact O-N 3.14Å; L83-F87 WeakPolarHBondContact O-CB 3.28Å; L83-F87 WeakPolarHBondContact O-CG 3.47Å; L83-F87 PolarHBondContact O-N 2.9Å; L83-Y109 HydrophobicContact CB-CE2 4.21Å; L83-Y109 WeakPolarHBondContact CB-OH 3.48Å; L83-Y109 HydrophobicContact CD1-CE2 3.98Å; L83-F141 HydrophobicContact CD2-CE1 4.13Å; L83-F141 HydrophobicContact CD2-CZ 3.79Å; L83-F141 HydrophobicContact CG-CZ 4.13Å
84D94.4Very high93.6Very high46 Ų4646.3 Ų46.325%0.24623%0.226CC..Hα-helixtrans-60.4-19.6174.1-71.9-24.5000112.1K80 S88 Y109K80-D84 WeakPolarHBondContact CG-OD2 3.48Å; K80-D84 IonicContact NZ-OD1 3.24Å; K80-D84 PolarHBondContact NZ-OD1 3.25Å; K80-D84 IonicContact NZ-OD2 2.79Å; K80-D84 PolarHBondContact NZ-OD2 2.86Å; K80-D84 WeakPolarHBondContact O-CB 3.06Å; K80-D84 PolarHBondContact O-N 3.19Å; D84-S88 WeakPolarHBondContact O-CB 3.14Å; D84-Y109 PolarHBondContact N-OH 3.06Å; D84-Y109 WeakPolarHBondContact OD1-CE1 3.26Å; D84-Y109 VanDerWaalsContact OD1-CZ 3.26Å; D84-Y109 PolarHBondContact OD1-OH 3.04Å
85R93.7Very high93.6Very high109 Ų10945.8 Ų45.841%0.41122%0.221SC..Hα-helixtrans-84.7-49.9169.6-65.8-67.4176.4-177.2-0.8112.5L82 L83 F87 S88 T147 I150L82-R85 WeakPolarHBondContact O-CB 3.29Å; L82-R85 PolarHBondContact O-N 2.58Å; L82-R85 VanDerWaalsContact O-N 3.12Å; L83-R85 PolarHBondContact O-N 3.45Å; L83-R85 VanDerWaalsContact O-N 3.09Å; R85-F87 PolarHBondContact O-N 3.34Å; R85-S88 WeakPolarHBondContact O-CB 3.48Å; R85-S88 PolarHBondContact O-N 3.22Å; R85-S88 PolarHBondContact O-OG 3.28Å; R85-T147 HydrophobicContact CB-CG2 3.88Å; R85-I150 HydrophobicContact CG-CD1 4.24Å
86L92.3Very high93.6Very high0 Ų048.1 Ų48.10%023%0.233CC..Hα-helixtrans-61.2-43.5179.3-61.5-171.1000112V56 V61 L82 L83 S88 V89 F141 F144 T147V56-L86 HydrophobicContact CG1-CD2 4.43Å; V56-L86 HydrophobicContact CG2-CD2 4.19Å; V61-L86 HydrophobicContact CG1-CB 4.22Å; V61-L86 HydrophobicContact CG2-CB 4.15Å; V61-L86 HydrophobicContact CG2-CD1 4.36Å; L82-L86 PolarHBondContact O-N 3.37Å; L82-L86 VanDerWaalsContact O-N 3.08Å; L83-L86 PolarHBondContact O-N 3.1Å; L83-L86 VanDerWaalsContact O-N 3.14Å; L86-S88 PolarHBondContact O-N 3.45Å; L86-V89 PolarHBondContact O-N 3Å; L86-F141 HydrophobicContact CD1-CD1 3.89Å; L86-F141 HydrophobicContact CD1-CE1 3.48Å; L86-F141 VanDerWaalsContact CD1-CE1 3.48Å; L86-F141 HydrophobicContact CG-CD1 4.35Å; L86-F141 HydrophobicContact CG-CE1 4.02Å; L86-F144 HydrophobicContact CD1-CD2 4.31Å; L86-F144 HydrophobicContact CD1-CE2 4.34Å; L86-F144 HydrophobicContact CD2-CB 4.03Å; L86-F144 HydrophobicContact CD2-CD1 4.35Å; L86-F144 HydrophobicContact CD2-CD2 3.95Å; L86-F144 HydrophobicContact CD2-CG 3.8Å; L86-T147 HydrophobicContact CD2-CG2 3.99Å; L86-T147 HydrophobicContact CG-CG2 4.26Å
87F93.7Very high93.6Very high12 Ų1254 Ų545%0.05326%0.259CS..THydrogen-bonded Turntrans-65.4-20.1173.9-69.4-18.2000113.6V61 C65 L83 R85 V89 L90 V95 I98 L99 Y109V61-F87 HydrophobicContact CG1-CD1 3.84Å; V61-F87 HydrophobicContact CG1-CE1 3.67Å; C65-F87 VanDerWaalsContact SG-CE1 3.52Å; C65-F87 WeakPolarHBondContact SG-CZ 3.07Å; L83-F87 WeakPolarHBondContact O-CB 3.28Å; L83-F87 WeakPolarHBondContact O-CG 3.47Å; L83-F87 PolarHBondContact O-N 2.9Å; R85-F87 PolarHBondContact O-N 3.34Å; F87-V89 PolarHBondContact O-N 2.9Å; F87-L90 HydrophobicContact CD1-CD1 4.42Å; F87-V95 HydrophobicContact CB-CG1 4.32Å; F87-V95 HydrophobicContact CB-CG2 3.82Å; F87-V95 HydrophobicContact CD1-CB 4.48Å; F87-V95 HydrophobicContact CD1-CG1 4.1Å; F87-V95 HydrophobicContact CD1-CG2 3.8Å; F87-V95 HydrophobicContact CD2-CG1 3.78Å; F87-V95 HydrophobicContact CE1-CG1 4.28Å; F87-V95 HydrophobicContact CE1-CG2 4.48Å; F87-V95 HydrophobicContact CE2-CG1 3.97Å; F87-V95 HydrophobicContact CG-CG1 3.84Å; F87-V95 HydrophobicContact CG-CG2 3.87Å; F87-V95 HydrophobicContact CZ-CG1 4.21Å; F87-I98 HydrophobicContact CE1-CG2 4.17Å; F87-I98 HydrophobicContact CZ-CG2 4.35Å; F87-L99 HydrophobicContact CE2-CD2 4.06Å; F87-L99 HydrophobicContact CE2-CG 4.4Å; F87-L99 HydrophobicContact CZ-CD2 4.02Å; F87-L99 HydrophobicContact CZ-CG 4.3Å; F87-Y109 HydrophobicContact CD2-CD1 4.31Å; F87-Y109 AromaticContact CD2-CE1 3.65Å; F87-Y109 HydrophobicContact CD2-CE1 3.65Å; F87-Y109 HydrophobicContact CD2-CE2 4.12Å; F87-Y109 AromaticContact CD2-CZ 3.55Å; F87-Y109 HydrophobicContact CE2-CD1 4.18Å; F87-Y109 AromaticContact CE2-CD2 3.95Å; F87-Y109 HydrophobicContact CE2-CD2 3.95Å; F87-Y109 AromaticContact CE2-CE1 3.82Å; F87-Y109 HydrophobicContact CE2-CE1 3.82Å; F87-Y109 AromaticContact CE2-CE2 3.57Å; F87-Y109 HydrophobicContact CE2-CE2 3.57Å; F87-Y109 HydrophobicContact CE2-CG 4.26Å; F87-Y109 AromaticContact CE2-CZ 3.51Å
88S91.6Very high93.6Very high34 Ų3447.9 Ų47.924%0.23823%0.228CC..THydrogen-bonded Turntrans-75.6-9175.473.90000114.5D84 R85 L86D84-S88 WeakPolarHBondContact O-CB 3.14Å; R85-S88 WeakPolarHBondContact O-CB 3.48Å; R85-S88 PolarHBondContact O-N 3.22Å; R85-S88 PolarHBondContact O-OG 3.28Å; L86-S88 PolarHBondContact O-N 3.45Å
89V90.9Very high93.6Very high77 Ų7745.4 Ų45.447%0.46722%0.219SC..THydrogen-bonded Turntrans-100-21.7176.4-172.30000112V56 L86 F87 E146V56-V89 HydrophobicContact CB-CB 4.27Å; V56-V89 HydrophobicContact CB-CG1 4.01Å; V56-V89 HydrophobicContact CG1-CB 4.09Å; V56-V89 HydrophobicContact CG1-CG1 4.32Å; L86-V89 PolarHBondContact O-N 3Å; F87-V89 PolarHBondContact O-N 2.9Å; V89-E146 HydrophobicContact CG2-CG 4.22Å
90L90.8Very high93.5Very high9 Ų949.9 Ų49.95%0.04724%0.243CC..SBendtrans-87.1165.8178.5-63.3-174.7000112.3V56 V61 F87 E94 V95 I98 F498V56-L90 HydrophobicContact CG1-CD2 4.33Å; V61-L90 HydrophobicContact CB-CD1 3.92Å; V61-L90 HydrophobicContact CG1-CD1 3.89Å; V61-L90 HydrophobicContact CG2-CD1 3.99Å; V61-L90 HydrophobicContact CG2-CG 4.45Å; F87-L90 HydrophobicContact CD1-CD1 4.42Å; L90-E94 HydrophobicContact CB-CB 4.42Å; L90-V95 HydrophobicContact CB-CG2 3.92Å; L90-V95 HydrophobicContact CD1-CG2 4.43Å; L90-I98 HydrophobicContact CD1-CD1 3.66Å; L90-F498 WeakPolarHBondContact O-CE1 3.17Å
91K92.4Very high93.5Very high141 Ų14151.5 Ų51.561%0.61326%0.262SS*.  trans-76.5155.3169.5-60.1178.9-178175.80111.5E93 E94 V95K91-E93 WeakPolarHBondContact CB-OE2 3.19Å; K91-E93 PolarHBondContact O-N 3.02Å; K91-E94 HydrophobicContact CB-CG 4.17Å; K91-E94 WeakPolarHBondContact CB-OE2 3.34Å; K91-E94 PolarHBondContact N-OE2 3.09Å; K91-E94 PolarHBondContact O-N 3.22Å; K91-V95 WeakPolarHBondContact O-CG2 3.44Å; K91-V95 PolarHBondContact O-N 2.76Å
92Q92.1Very high93.3Very high44 Ų4448.2 Ų48.221%0.20625%0.246CC..Hα-helixtrans-60.6-35.4-178.1-174.65843.600112.1V95 I96 L106 F498Q92-V95 PolarHBondContact O-N 3.43Å; Q92-I96 HydrophobicContact CG-CD1 4.08Å; Q92-I96 WeakPolarHBondContact O-CD1 3.45Å; Q92-I96 VanDerWaalsContact O-CG1 3.27Å; Q92-I96 WeakPolarHBondContact O-CG1 3.47Å; Q92-I96 PolarHBondContact O-N 3.37Å; Q92-L106 VanDerWaalsContact NE2-CD2 3.35Å; Q92-F498 HydrophobicContact CB-CD1 4.44Å
93E94.1Very high93.2Very high115 Ų11552.5 Ų52.554%0.53727%0.268SS..Hα-helixtrans-69.8-40.7179.6-57.266.9-139.400111K91 I96 Q97K91-E93 WeakPolarHBondContact CB-OE2 3.19Å; K91-E93 PolarHBondContact O-N 3.02Å; E93-I96 PolarHBondContact O-N 2.78Å; E93-Q97 WeakPolarHBondContact O-CB 3.5Å; E93-Q97 VanDerWaalsContact O-CG 3.27Å; E93-Q97 WeakPolarHBondContact O-CG 3.48Å; E93-Q97 PolarHBondContact O-N 3.39Å
94E93.8Very high93.1Very high52 Ų5252.7 Ų52.724%0.24327%0.269CS..Hα-helixtrans-64.8-42.1175.4-63.1177.9110.500111S58 L90 K91 Q97 I98S58-E94 WeakPolarHBondContact CB-OE1 3.44Å; S58-E94 PolarHBondContact OG-OE1 2.83Å; L90-E94 HydrophobicContact CB-CB 4.42Å; K91-E94 HydrophobicContact CB-CG 4.17Å; K91-E94 WeakPolarHBondContact CB-OE2 3.34Å; K91-E94 PolarHBondContact N-OE2 3.09Å; K91-E94 PolarHBondContact O-N 3.22Å; E94-Q97 PolarHBondContact O-N 3.25Å; E94-I98 WeakPolarHBondContact O-CB 3.38Å; E94-I98 VanDerWaalsContact O-CG1 3.23Å; E94-I98 WeakPolarHBondContact O-CG1 3.18Å; E94-I98 PolarHBondContact O-N 2.98Å
95V94.2Very high93.1Very high6 Ų653.6 Ų53.64%0.03628%0.276CS..Hα-helixtrans-62.6-43.4175.6175.40000111F87 L90 K91 Q92 I98 L99F87-V95 HydrophobicContact CB-CG1 4.32Å; F87-V95 HydrophobicContact CB-CG2 3.82Å; F87-V95 HydrophobicContact CD1-CB 4.48Å; F87-V95 HydrophobicContact CD1-CG1 4.1Å; F87-V95 HydrophobicContact CD1-CG2 3.8Å; F87-V95 HydrophobicContact CD2-CG1 3.78Å; F87-V95 HydrophobicContact CE1-CG1 4.28Å; F87-V95 HydrophobicContact CE1-CG2 4.48Å; F87-V95 HydrophobicContact CE2-CG1 3.97Å; F87-V95 HydrophobicContact CG-CG1 3.84Å; F87-V95 HydrophobicContact CG-CG2 3.87Å; F87-V95 HydrophobicContact CZ-CG1 4.21Å; L90-V95 HydrophobicContact CB-CG2 3.92Å; L90-V95 HydrophobicContact CD1-CG2 4.43Å; K91-V95 WeakPolarHBondContact O-CG2 3.44Å; K91-V95 PolarHBondContact O-N 2.76Å; Q92-V95 PolarHBondContact O-N 3.43Å; V95-I98 PolarHBondContact O-N 2.78Å; V95-L99 HydrophobicContact CG1-CD1 4Å; V95-L99 HydrophobicContact CG1-CG 4.46Å; V95-L99 WeakPolarHBondContact O-CB 3.34Å; V95-L99 VanDerWaalsContact O-CG 3.28Å; V95-L99 WeakPolarHBondContact O-CG 3.43Å; V95-L99 PolarHBondContact O-N 2.82Å
96I94.7Very high93.1Very high60 Ų6050.3 Ų50.331%0.30827%0.267SS..Hα-helixtrans-64-42.6176.4-70.2164.6000111.1Q92 E93 L99 N100 L106Q92-I96 HydrophobicContact CG-CD1 4.08Å; Q92-I96 WeakPolarHBondContact O-CD1 3.45Å; Q92-I96 VanDerWaalsContact O-CG1 3.27Å; Q92-I96 WeakPolarHBondContact O-CG1 3.47Å; Q92-I96 PolarHBondContact O-N 3.37Å; E93-I96 PolarHBondContact O-N 2.78Å; I96-L99 PolarHBondContact O-N 2.99Å; I96-N100 WeakPolarHBondContact O-CB 3.5Å; I96-N100 PolarHBondContact O-N 3.1Å; I96-N100 PolarHBondContact O-OD1 3.23Å; I96-L106 HydrophobicContact CD1-CD2 4.39Å; I96-L106 HydrophobicContact CG1-CD2 4.34Å
97Q94.9Very high93.2Very high131 Ų13156 Ų5661%0.61229%0.293SS*.Hα-helixtrans-61.2-45.3175.5-73.5170.610.500112.1E93 E94 L99 A101E93-Q97 WeakPolarHBondContact O-CB 3.5Å; E93-Q97 VanDerWaalsContact O-CG 3.27Å; E93-Q97 WeakPolarHBondContact O-CG 3.48Å; E93-Q97 PolarHBondContact O-N 3.39Å; E94-Q97 PolarHBondContact O-N 3.25Å; Q97-L99 PolarHBondContact O-N 2.78Å; Q97-A101 VanDerWaalsContact O-CB 3.24Å; Q97-A101 WeakPolarHBondContact O-CB 3.37Å; Q97-A101 PolarHBondContact O-N 3.26Å
98I94.6Very high93.2Very high10 Ų1056.2 Ų56.25%0.05130%0.295CS..Hα-helixtrans-62.3-42178.3-71167.2000111.6S58 V61 F62 C65 F87 L90 E94 V95 L102S58-I98 WeakPolarHBondContact O-CD1 3.47Å; V61-I98 HydrophobicContact CB-CD1 4.32Å; V61-I98 HydrophobicContact CG1-CD1 4.24Å; F62-I98 HydrophobicContact CB-CG1 4.17Å; F62-I98 HydrophobicContact CD2-CG1 4.35Å; F62-I98 HydrophobicContact CD2-CG2 4.21Å; C65-I98 HydrophobicContact CB-CG2 3.8Å; F87-I98 HydrophobicContact CE1-CG2 4.17Å; F87-I98 HydrophobicContact CZ-CG2 4.35Å; L90-I98 HydrophobicContact CD1-CD1 3.66Å; E94-I98 WeakPolarHBondContact O-CB 3.38Å; E94-I98 VanDerWaalsContact O-CG1 3.23Å; E94-I98 WeakPolarHBondContact O-CG1 3.18Å; E94-I98 PolarHBondContact O-N 2.98Å; V95-I98 PolarHBondContact O-N 2.78Å; I98-L102 HydrophobicContact CG2-CD1 4.36Å; I98-L102 WeakPolarHBondContact O-CD1 3.5Å; I98-L102 WeakPolarHBondContact O-CG 3.06Å
99L94.1Very high93.3Very high0 Ų054.8 Ų54.80%028%0.284CS..Hα-helixtrans-68.9-49.6178.7-69.8174.4000111.7L69 F87 V95 I96 Q97 A101 L102 W104 L106 Y109L69-L99 HydrophobicContact CD1-CD2 3.55Å; F87-L99 HydrophobicContact CE2-CD2 4.06Å; F87-L99 HydrophobicContact CE2-CG 4.4Å; F87-L99 HydrophobicContact CZ-CD2 4.02Å; F87-L99 HydrophobicContact CZ-CG 4.3Å; V95-L99 HydrophobicContact CG1-CD1 4Å; V95-L99 HydrophobicContact CG1-CG 4.46Å; V95-L99 WeakPolarHBondContact O-CB 3.34Å; V95-L99 VanDerWaalsContact O-CG 3.28Å; V95-L99 WeakPolarHBondContact O-CG 3.43Å; V95-L99 PolarHBondContact O-N 2.82Å; I96-L99 PolarHBondContact O-N 2.99Å; Q97-L99 PolarHBondContact O-N 2.78Å; L99-A101 VanDerWaalsContact C-N 3.28Å; L99-A101 PolarHBondContact O-N 3.43Å; L99-L102 PolarHBondContact O-N 2.84Å; L99-W104 CarbonylContact C-O 3.52Å; L99-W104 HydrophobicContact CB-CB 4.33Å; L99-W104 WeakPolarHBondContact CB-O 3.16Å; L99-W104 HydrophobicContact CD2-CB 4.26Å; L99-W104 PolarHBondContact O-N 3.28Å; L99-W104 VanDerWaalsContact O-O 3.04Å; L99-L106 HydrophobicContact CD1-CD1 4.08Å; L99-Y109 HydrophobicContact CD1-CD1 4.41Å; L99-Y109 HydrophobicContact CD1-CG 3.97Å; L99-Y109 HydrophobicContact CD2-CD2 3.84Å; L99-Y109 HydrophobicContact CD2-CG 3.99Å
100N92.8Very high93.5Very high94 Ų9454.3 Ų54.350%0.50328%0.278SS..Hα-helixtrans-60.5-38.1-179.2-70.7-5.4000111.7I96 L102 D103 W104I96-N100 WeakPolarHBondContact O-CB 3.5Å; I96-N100 PolarHBondContact O-N 3.1Å; I96-N100 PolarHBondContact O-OD1 3.23Å; N100-L102 PolarHBondContact O-N 3.35Å; N100-L102 VanDerWaalsContact O-N 3.14Å; N100-D103 PolarHBondContact O-N 2.81Å; N100-W104 PolarHBondContact N-O 3.19Å; N100-W104 PolarHBondContact OD1-O 2.76Å
101A93.1Very high93.7Very high67 Ų6757.8 Ų57.855%0.55429%0.291SS*.THydrogen-bonded Turntrans-70.1-1.217700000114.6F62 Q97 L99F62-A101 HydrophobicContact CE2-CB 3.86Å; Q97-A101 VanDerWaalsContact O-CB 3.24Å; Q97-A101 WeakPolarHBondContact O-CB 3.37Å; Q97-A101 PolarHBondContact O-N 3.26Å; L99-A101 VanDerWaalsContact C-N 3.28Å; L99-A101 PolarHBondContact O-N 3.43Å
102L92.7Very high93.7Very high6 Ų651.7 Ų51.73%0.03127%0.268CS..THydrogen-bonded Turntrans-122.214.6-179.9-65.7172.8000113.3F62 C65 L69 I98 L99 N100F62-L102 HydrophobicContact CD2-CD1 4.41Å; F62-L102 HydrophobicContact CE2-CD1 4.24Å; F62-L102 HydrophobicContact CE2-CD2 3.87Å; F62-L102 HydrophobicContact CE2-CG 3.87Å; F62-L102 HydrophobicContact CZ-CD2 4Å; F62-L102 HydrophobicContact CZ-CG 4.5Å; C65-L102 HydrophobicContact CB-CD1 3.53Å; L69-L102 HydrophobicContact CB-CB 4.23Å; L69-L102 HydrophobicContact CB-CD1 4.16Å; L69-L102 HydrophobicContact CD1-CD1 4.19Å; I98-L102 HydrophobicContact CG2-CD1 4.36Å; I98-L102 WeakPolarHBondContact O-CD1 3.5Å; I98-L102 WeakPolarHBondContact O-CG 3.06Å; L99-L102 PolarHBondContact O-N 2.84Å; N100-L102 PolarHBondContact O-N 3.35Å; N100-L102 VanDerWaalsContact O-N 3.14Å
103D91.6Very high93.9Very high90 Ų9054 Ų5448%0.48128%0.275SS..THydrogen-bonded Turntrans66.929.1-173-57.7-29.7000114.4R24 N100R24-D103 IonicContact NH1-OD2 3.16Å; R24-D103 PolarHBondContact NH1-OD2 3.07Å; R24-D103 VanDerWaalsContact NH1-OD2 3.16Å; N100-D103 PolarHBondContact O-N 2.81Å
104W93.8Very high93.8Very high4 Ų449.1 Ų49.12%0.01525%0.253CS..  trans-121.6138.1177.9-77.368.6000113.1L69 T72 I75 L99 N100 D108 V114L69-W104 HydrophobicContact CB-CG 4.41Å; L69-W104 HydrophobicContact CD2-CD2 4.27Å; L69-W104 HydrophobicContact CD2-CZ2 4.22Å; L69-W104 PolarHBondContact O-NE1 3.12Å; T72-W104 PolarHBondContact O-NE1 2.68Å; I75-W104 HydrophobicContact CD1-CE3 4.39Å; I75-W104 HydrophobicContact CD1-CH2 4.01Å; I75-W104 HydrophobicContact CD1-CZ3 3.83Å; I75-W104 HydrophobicContact CG1-CH2 3.47Å; I75-W104 VanDerWaalsContact CG1-CH2 3.47Å; I75-W104 HydrophobicContact CG1-CZ2 4.11Å; I75-W104 HydrophobicContact CG1-CZ3 3.81Å; L99-W104 CarbonylContact C-O 3.52Å; L99-W104 HydrophobicContact CB-CB 4.33Å; L99-W104 WeakPolarHBondContact CB-O 3.16Å; L99-W104 HydrophobicContact CD2-CB 4.26Å; L99-W104 PolarHBondContact O-N 3.28Å; L99-W104 VanDerWaalsContact O-O 3.04Å; N100-W104 PolarHBondContact N-O 3.19Å; N100-W104 PolarHBondContact OD1-O 2.76Å; W104-D108 HydrophobicContact CE3-CB 3.78Å; W104-D108 HydrophobicContact CZ3-CB 4.15Å; W104-V114 HydrophobicContact CD2-CG2 3.84Å; W104-V114 HydrophobicContact CE3-CG2 3.84Å; W104-V114 HydrophobicContact CH2-CG2 3.95Å; W104-V114 HydrophobicContact CZ2-CG2 3.96Å; W104-V114 HydrophobicContact CZ3-CG2 3.9Å
105T93.3Very high93.6Very high64 Ų6450 Ų5039%0.39326%0.259SS..  trans-87.7160.2166.3790000111.8Q107 D108 Y109T105-Q107 PolarHBondContact O-N 2.81Å; T105-Q107 PolarHBondContact OG1-N 3.15Å; T105-D108 WeakPolarHBondContact CB-OD2 3.48Å; T105-D108 WeakPolarHBondContact CG2-OD2 3.38Å; T105-D108 PolarHBondContact N-OD2 3.41Å; T105-D108 PolarHBondContact O-N 2.88Å; T105-D108 VanDerWaalsContact OG1-CG 3.25Å; T105-D108 PolarHBondContact OG1-N 3.08Å; T105-D108 VanDerWaalsContact OG1-N 3.1Å; T105-D108 PolarHBondContact OG1-OD2 3.25Å; T105-Y109 PolarHBondContact O-N 3.48Å
106L93.8Very high93.4Very high41 Ų4154.9 Ų54.922%0.21528%0.282CS..Hα-helixtrans-55.4-37169.5-176.466.5000112.2Q92 I96 L99 Y109 I110Q92-L106 VanDerWaalsContact NE2-CD2 3.35Å; I96-L106 HydrophobicContact CD1-CD2 4.39Å; I96-L106 HydrophobicContact CG1-CD2 4.34Å; L99-L106 HydrophobicContact CD1-CD1 4.08Å; L106-Y109 PolarHBondContact O-N 2.81Å; L106-I110 HydrophobicContact CG-CD1 4.03Å; L106-I110 WeakPolarHBondContact O-CD1 3.4Å; L106-I110 WeakPolarHBondContact O-CG1 3.41Å; L106-I110 PolarHBondContact O-N 2.98Å
107Q93.9Very high93Very high119 Ų11956 Ų5656%0.55629%0.289SS*.Hα-helixtrans-68.6-37.3178.9-67.2-64.6-17.300112.4T105 R111T105-Q107 PolarHBondContact O-N 2.81Å; T105-Q107 PolarHBondContact OG1-N 3.15Å; Q107-R111 WeakPolarHBondContact O-CB 3.4Å; Q107-R111 PolarHBondContact O-N 3.09Å; Q107-R111 VanDerWaalsContact O-N 3.09Å
108D93.7Very high92.3Very high17 Ų1755.7 Ų55.79%0.09130%0.295CS..Hα-helixtrans-69.2-37.6173.9-56.2-55.4000111.5W104 T105 R111 G112 Y113 V114 L115W104-D108 HydrophobicContact CE3-CB 3.78Å; W104-D108 HydrophobicContact CZ3-CB 4.15Å; T105-D108 WeakPolarHBondContact CB-OD2 3.48Å; T105-D108 WeakPolarHBondContact CG2-OD2 3.38Å; T105-D108 PolarHBondContact N-OD2 3.41Å; T105-D108 PolarHBondContact O-N 2.88Å; T105-D108 VanDerWaalsContact OG1-CG 3.25Å; T105-D108 PolarHBondContact OG1-N 3.08Å; T105-D108 VanDerWaalsContact OG1-N 3.1Å; T105-D108 PolarHBondContact OG1-OD2 3.25Å; D108-R111 CarbonylContact O-C 3.46Å; D108-R111 PolarHBondContact O-N 3.15Å; D108-R111 IonicContact OD1-CZ 2.68Å; D108-R111 IonicContact OD1-NH1 3.91Å; D108-R111 PolarHBondContact OD1-NH1 2.93Å; D108-R111 IonicContact OD1-NH2 3.64Å; D108-G112 CarbonylContact O-C 3.58Å; D108-G112 WeakPolarHBondContact O-CA 3.11Å; D108-G112 PolarHBondContact O-N 2.6Å; D108-Y113 PolarHBondContact O-N 3.24Å; D108-Y113 VanDerWaalsContact O-N 3.08Å; D108-V114 HydrophobicContact CB-CB 4.42Å; D108-V114 HydrophobicContact CB-CG2 3.99Å; D108-V114 WeakPolarHBondContact OD1-CA 3.4Å; D108-L115 PolarHBondContact OD1-N 2.84Å
109Y94.9Very high91.8Very high3 Ų359.3 Ų59.31%0.01233%0.327CS..Hα-helixtrans-65.8-41.4174.5-178.5-95.6000113.2I75 K80 L83 D84 F87 L99 T105 L106 R111 G112I75-Y109 HydrophobicContact CD1-CD2 3.6Å; I75-Y109 HydrophobicContact CD1-CE2 3.78Å; K80-Y109 VanDerWaalsContact CE-O 3.31Å; K80-Y109 WeakPolarHBondContact CE-O 3.15Å; K80-Y109 VanDerWaalsContact NZ-CZ 3.33Å; K80-Y109 PolarHBondContact NZ-O 3.33Å; K80-Y109 PolarHBondContact NZ-OH 3.49Å; L83-Y109 HydrophobicContact CB-CE2 4.21Å; L83-Y109 WeakPolarHBondContact CB-OH 3.48Å; L83-Y109 HydrophobicContact CD1-CE2 3.98Å; D84-Y109 PolarHBondContact N-OH 3.06Å; D84-Y109 WeakPolarHBondContact OD1-CE1 3.26Å; D84-Y109 VanDerWaalsContact OD1-CZ 3.26Å; D84-Y109 PolarHBondContact OD1-OH 3.04Å; F87-Y109 HydrophobicContact CD2-CD1 4.31Å; F87-Y109 AromaticContact CD2-CE1 3.65Å; F87-Y109 HydrophobicContact CD2-CE1 3.65Å; F87-Y109 HydrophobicContact CD2-CE2 4.12Å; F87-Y109 AromaticContact CD2-CZ 3.55Å; F87-Y109 HydrophobicContact CE2-CD1 4.18Å; F87-Y109 AromaticContact CE2-CD2 3.95Å; F87-Y109 HydrophobicContact CE2-CD2 3.95Å; F87-Y109 AromaticContact CE2-CE1 3.82Å; F87-Y109 HydrophobicContact CE2-CE1 3.82Å; F87-Y109 AromaticContact CE2-CE2 3.57Å; F87-Y109 HydrophobicContact CE2-CE2 3.57Å; F87-Y109 HydrophobicContact CE2-CG 4.26Å; F87-Y109 AromaticContact CE2-CZ 3.51Å; L99-Y109 HydrophobicContact CD1-CD1 4.41Å; L99-Y109 HydrophobicContact CD1-CG 3.97Å; L99-Y109 HydrophobicContact CD2-CD2 3.84Å; L99-Y109 HydrophobicContact CD2-CG 3.99Å; T105-Y109 PolarHBondContact O-N 3.48Å; L106-Y109 PolarHBondContact O-N 2.81Å; Y109-R111 VanDerWaalsContact C-N 3.31Å; Y109-R111 PolarHBondContact O-N 3.44Å; Y109-G112 PolarHBondContact O-N 3.47Å
110I94.1Very high91.2Very high67 Ų6761.4 Ų61.434%0.34435%0.348SS..Hα-helixtrans-56.7-48.5171.9-72.4160000109.9L106 G112 Y499L106-I110 HydrophobicContact CG-CD1 4.03Å; L106-I110 WeakPolarHBondContact O-CD1 3.4Å; L106-I110 WeakPolarHBondContact O-CG1 3.41Å; L106-I110 PolarHBondContact O-N 2.98Å; I110-G112 VanDerWaalsContact C-N 3.27Å; I110-G112 PolarHBondContact O-N 3.21Å; I110-Y499 HydrophobicContact CD1-CE1 3.73Å; I110-Y499 HydrophobicContact CG1-CE1 3.73Å; I110-Y499 WeakPolarHBondContact CG1-OH 3.47Å
111R94.6Very high91Very high83 Ų8363.8 Ų63.831%0.31335%0.354SS..Hα-helixtrans-70.1-23.3-179.3-152-175.4-54.2108.31.8113.2Q107 D108 Y109 Y113 L115Q107-R111 WeakPolarHBondContact O-CB 3.4Å; Q107-R111 PolarHBondContact O-N 3.09Å; Q107-R111 VanDerWaalsContact O-N 3.09Å; D108-R111 CarbonylContact O-C 3.46Å; D108-R111 PolarHBondContact O-N 3.15Å; D108-R111 IonicContact OD1-CZ 2.68Å; D108-R111 IonicContact OD1-NH1 3.91Å; D108-R111 PolarHBondContact OD1-NH1 2.93Å; D108-R111 IonicContact OD1-NH2 3.64Å; Y109-R111 VanDerWaalsContact C-N 3.31Å; Y109-R111 PolarHBondContact O-N 3.44Å; R111-Y113 VanDerWaalsContact C-N 3.26Å; R111-Y113 VanDerWaalsContact CD-CZ 3.45Å; R111-Y113 HydrophobicContact CG-CD1 4.06Å; R111-Y113 HydrophobicContact CG-CE1 3.61Å; R111-Y113 HydrophobicContact CG-CE2 4.32Å; R111-Y113 PolarHBondContact NH1-O 2.98Å; R111-Y113 WeakPolarHBondContact O-CD1 3.38Å; R111-L115 VanDerWaalsContact CZ-CD1 3.47Å
112G94.2Very high90.9Very high12 Ų1264.9 Ų64.912%0.12435%0.354CS..THydrogen-bonded Turntrans78.24.3-173.200000114.3I75 D108 Y109 I110I75-G112 PolarHBondContact N-O 2.76Å; D108-G112 CarbonylContact O-C 3.58Å; D108-G112 WeakPolarHBondContact O-CA 3.11Å; D108-G112 PolarHBondContact O-N 2.6Å; Y109-G112 PolarHBondContact O-N 3.47Å; I110-G112 VanDerWaalsContact C-N 3.27Å; I110-G112 PolarHBondContact O-N 3.21Å
113Y94.5Very high90.6Very high92 Ų9266 Ų6636%0.36136%0.36SS..BIsolated β-bridgetrans-159147.2176.964.6-87.7000112.2Q73 D108 R111 L115 W126Q73-Y113 CarbonylContact O-C 3.59Å; Q73-Y113 WeakPolarHBondContact O-CA 3.19Å; Q73-Y113 VanDerWaalsContact O-CB 3.29Å; Q73-Y113 WeakPolarHBondContact O-CB 3.35Å; D108-Y113 PolarHBondContact O-N 3.24Å; D108-Y113 VanDerWaalsContact O-N 3.08Å; R111-Y113 VanDerWaalsContact C-N 3.26Å; R111-Y113 VanDerWaalsContact CD-CZ 3.45Å; R111-Y113 HydrophobicContact CG-CD1 4.06Å; R111-Y113 HydrophobicContact CG-CE1 3.61Å; R111-Y113 HydrophobicContact CG-CE2 4.32Å; R111-Y113 PolarHBondContact NH1-O 2.98Å; R111-Y113 WeakPolarHBondContact O-CD1 3.38Å; Y113-L115 HydrophobicContact CE2-CD2 3.79Å; Y113-L115 HydrophobicContact CE2-CG 4.13Å; Y113-W126 AromaticContact CD2-NE1 3.73Å
114V92.8Very high90.4Very high13 Ų1368.3 Ų68.38%0.07937%0.372CS..  trans-75.2133.9176.2-176.10000109.9Q73 W104 D108 Q116 L123 W126Q73-V114 HydrophobicContact CB-CB 4.22Å; Q73-V114 HydrophobicContact CB-CG2 4.49Å; Q73-V114 PolarHBondContact O-N 3.03Å; W104-V114 HydrophobicContact CD2-CG2 3.84Å; W104-V114 HydrophobicContact CE3-CG2 3.84Å; W104-V114 HydrophobicContact CH2-CG2 3.95Å; W104-V114 HydrophobicContact CZ2-CG2 3.96Å; W104-V114 HydrophobicContact CZ3-CG2 3.9Å; D108-V114 HydrophobicContact CB-CB 4.42Å; D108-V114 HydrophobicContact CB-CG2 3.99Å; D108-V114 WeakPolarHBondContact OD1-CA 3.4Å; V114-Q116 WeakPolarHBondContact CG1-O 3.29Å; V114-L123 HydrophobicContact CB-CD1 4.08Å; V114-L123 HydrophobicContact CG1-CD1 3.86Å; V114-W126 PolarHBondContact O-NE1 3.01Å
115L89.6Confident89.9Confident70 Ų7078.1 Ų78.137%0.36641%0.409SS..SBendtrans-91.5-36.1178.3-90175.5000113.8D108 R111 Y113 V122 L123D108-L115 PolarHBondContact OD1-N 2.84Å; R111-L115 VanDerWaalsContact CZ-CD1 3.47Å; Y113-L115 HydrophobicContact CE2-CD2 3.79Å; Y113-L115 HydrophobicContact CE2-CG 4.13Å; L115-V122 WeakPolarHBondContact O-CA 3.33Å; L115-L123 PolarHBondContact O-N 3.12Å
116Q90.6Very high89.8Confident109 Ų10980.6 Ų80.651%0.50941%0.411SS..BIsolated β-bridgetrans-131.4141.5-175-67.3174.52.600109.5V114 G120 K121 V122V114-Q116 WeakPolarHBondContact CG1-O 3.29Å; Q116-G120 WeakPolarHBondContact CG-O 3.17Å; Q116-G120 PolarHBondContact OE1-O 2.82Å; Q116-K121 CarbonylContact C-O 3.57Å; Q116-K121 VanDerWaalsContact CA-O 3.28Å; Q116-K121 WeakPolarHBondContact CA-O 3.5Å; Q116-V122 HydrophobicContact CG-CG2 4.16Å
117D85.1Confident89.6Confident85 Ų8581 Ų8146%0.45542%0.42SS..  trans-67.3166.8168.4-162.72.2000110.4A119 G120 K121 L123D117-A119 PolarHBondContact O-N 3.4Å; D117-G120 PolarHBondContact O-N 2.92Å; D117-K121 PolarHBondContact N-O 3.09Å; D117-L123 HydrophobicContact CB-CD2 4.3Å
118V81.8Confident89.5Confident123 Ų12380 Ų8075%0.74542%0.418SS*.THydrogen-bonded Turntrans-59.3-14.5-179.2-61.30000114G120V118-G120 VanDerWaalsContact C-N 3.34Å
119A82.5Confident89.3Confident86 Ų8679.5 Ų79.571%0.71142%0.415SS*.THydrogen-bonded Turntrans-90.618.4171.600000113.9D117 K121D117-A119 PolarHBondContact O-N 3.4Å; A119-K121 PolarHBondContact O-N 3.14Å
120G82.9Confident89Confident44 Ų4482.9 Ų82.945%0.45444%0.436SS..SBendtrans69.5-3.9-177.500000115.2Q116 D117 V118 V122Q116-G120 WeakPolarHBondContact CG-O 3.17Å; Q116-G120 PolarHBondContact OE1-O 2.82Å; D117-G120 PolarHBondContact O-N 2.92Å; V118-G120 VanDerWaalsContact C-N 3.34Å; G120-V122 PolarHBondContact O-N 3.08Å
121K88.6Confident88.8Confident144 Ų14485.8 Ų85.863%0.62645%0.446SS*.  trans-74.7123.6-175.1-173.2-172.8173.4-176.10111.4Q116 D117 A119 L123Q116-K121 CarbonylContact C-O 3.57Å; Q116-K121 VanDerWaalsContact CA-O 3.28Å; Q116-K121 WeakPolarHBondContact CA-O 3.5Å; D117-K121 PolarHBondContact N-O 3.09Å; A119-K121 PolarHBondContact O-N 3.14Å; K121-L123 PolarHBondContact O-N 3.27Å
122V89.4Confident88.5Confident90 Ų9089 Ų8955%0.54547%0.465SS..BIsolated β-bridgetrans-55.7134.7173.2-178.30000111.6L115 Q116 G120L115-V122 WeakPolarHBondContact O-CA 3.33Å; Q116-V122 HydrophobicContact CG-CG2 4.16Å; G120-V122 PolarHBondContact O-N 3.08Å
123L87.8Confident88.3Confident31 Ų3189.5 Ų89.516%0.16246%0.464CS..  trans-87.4114.6-178.6-71.1164.4000111.8Q73 V114 L115 D117 K121 R125 W126Q73-L123 HydrophobicContact CB-CD1 4.23Å; Q73-L123 HydrophobicContact CG-CD1 3.96Å; V114-L123 HydrophobicContact CB-CD1 4.08Å; V114-L123 HydrophobicContact CG1-CD1 3.86Å; L115-L123 PolarHBondContact O-N 3.12Å; D117-L123 HydrophobicContact CB-CD2 4.3Å; K121-L123 PolarHBondContact O-N 3.27Å; L123-R125 VanDerWaalsContact C-N 3.29Å; L123-W126 HydrophobicContact CB-CZ2 4.48Å; L123-W126 WeakPolarHBondContact O-CH2 3.31Å; L123-W126 WeakPolarHBondContact O-CZ2 3.21Å
124D85.8Confident88.1Confident137 Ų13786.2 Ų86.273%0.73345%0.452SS*.SBendtrans-78-13.1171.4-66.8-54.4000113.5
125R84.6Confident87.9Confident211 Ų21188.1 Ų88.180%0.79646%0.461SS*.  trans-147.7137.8-172.7-61.9-179.2-175.1-100.1-0.2110.1L123L123-R125 VanDerWaalsContact C-N 3.29Å
126W90.6Very high87.9Confident115 Ų11586.3 Ų86.344%0.43646%0.456SS..  trans-116.5129.1177.9-60.6-93.9000110.2Q73 A74 Y113 V114 L123Q73-W126 HydrophobicContact CB-CB 4.28Å; Q73-W126 HydrophobicContact CB-CG 4.39Å; A74-W126 HydrophobicContact CB-CB 4.04Å; Y113-W126 AromaticContact CD2-NE1 3.73Å; V114-W126 PolarHBondContact O-NE1 3.01Å; L123-W126 HydrophobicContact CB-CZ2 4.48Å; L123-W126 WeakPolarHBondContact O-CH2 3.31Å; L123-W126 WeakPolarHBondContact O-CZ2 3.21Å
127A89.3Confident87.9Confident49 Ų4981.1 Ų81.141%0.40543%0.432SS..PPolyproline II helixtrans-81.3116.6161.600000108.8T72 Q73 A74T72-A127 WeakPolarHBondContact CA-O 3.46Å; T72-A127 WeakPolarHBondContact CB-O 3.39Å; Q73-A127 PolarHBondContact N-O 2.89Å; A74-A127 PolarHBondContact N-O 2.66Å
128I91.6Very high88.2Confident98 Ų9877.1 Ų77.150%0.50341%0.411SS..BIsolated β-bridgetrans-97.1152.5167.2-170.1161.2000108.8A74 P76A74-I128 HydrophobicContact CB-CB 4.36Å; P76-I128 HydrophobicContact CG-CD1 4.18Å; P76-I128 HydrophobicContact CG-CG1 3.93Å
129M90.5Very high88.5Confident7 Ų775.3 Ų75.33%0.03439%0.394CS..PPolyproline II helixtrans-60.8145.2172.5-172.9157.366.700111R25 V35 M68 T72 P76 L79 E133 E134 T137R25-M129 PolarHBondContact NH2-SD 3.47Å; V35-M129 HydrophobicContact CG2-SD 3.96Å; M68-M129 HydrophobicContact CG-CE 3.98Å; T72-M129 HydrophobicContact CG2-CB 4.39Å; P76-M129 HydrophobicContact CG-CB 4.19Å; L79-M129 HydrophobicContact CD1-CE 3.13Å; M129-E133 HydrophobicContact CG-CB 3.37Å; M129-E133 HydrophobicContact CG-CG 4.31Å; M129-E133 HydrophobicContact SD-CB 3.71Å; M129-E134 HydrophobicContact CE-CB 4.46Å; M129-T137 HydrophobicContact CE-CG2 4.3Å
130T89.4Confident88.8Confident75 Ų7571.9 Ų71.946%0.4636%0.363SS..PPolyproline II helixtrans-75.7159.8-179.563.80000112E132 E133 E134T130-E132 VanDerWaalsContact C-N 3.33Å; T130-E132 PolarHBondContact O-N 2.67Å; T130-E133 WeakPolarHBondContact CB-OE2 3.19Å; T130-E133 PolarHBondContact N-OE2 2.72Å; T130-E133 PolarHBondContact O-N 2.87Å; T130-E133 VanDerWaalsContact OG1-CD 3.29Å; T130-E133 WeakPolarHBondContact OG1-CG 3.46Å; T130-E133 PolarHBondContact OG1-OE2 2.69Å; T130-E134 WeakPolarHBondContact O-CB 3.39Å; T130-E134 PolarHBondContact O-N 3.44Å
131F88.8Confident89.1Confident127 Ų12769.8 Ų69.856%0.55734%0.342SS*.Hα-helixtrans-61.2-38.6-179.4-178.9-106.6000112.9E134 I135F131-E134 PolarHBondContact O-N 2.99Å; F131-I135 HydrophobicContact CD1-CG1 4.3Å; F131-I135 HydrophobicContact CD2-CG1 4.45Å; F131-I135 HydrophobicContact CE1-CD1 4.41Å; F131-I135 HydrophobicContact CE1-CG1 3.87Å; F131-I135 HydrophobicContact CE2-CD1 3.86Å; F131-I135 HydrophobicContact CE2-CG1 4.04Å; F131-I135 HydrophobicContact CZ-CD1 3.76Å; F131-I135 HydrophobicContact CZ-CG1 3.74Å; F131-I135 WeakPolarHBondContact O-CG1 3.45Å; F131-I135 PolarHBondContact O-N 3.25Å
132E88.4Confident89.1Confident151 Ų15165.3 Ų65.371%0.70632%0.324SS*.Hα-helixtrans-62.9-44.9176.4-174.8178.3177.100111.6T130 I135 A136T130-E132 VanDerWaalsContact C-N 3.33Å; T130-E132 PolarHBondContact O-N 2.67Å; E132-I135 PolarHBondContact O-N 3.25Å; E132-A136 WeakPolarHBondContact O-CB 3.47Å; E132-A136 PolarHBondContact O-N 2.85Å
133E89.3Confident88.9Confident23 Ų2362.5 Ų62.511%0.10730%0.304CS..Hα-helixtrans-65.5-35.2173.5-67.517411600112.5R25 V35 M129 T130 A136 T137R25-E133 IonicContact CZ-OE1 2.83Å; R25-E133 IonicContact NH1-OE1 2.8Å; R25-E133 PolarHBondContact NH1-OE1 3.19Å; R25-E133 IonicContact NH1-OE2 3.86Å; R25-E133 PolarHBondContact NH1-OE2 3.47Å; R25-E133 IonicContact NH2-OE1 2.88Å; R25-E133 PolarHBondContact NH2-OE1 2.85Å; V35-E133 HydrophobicContact CB-CB 4.34Å; V35-E133 HydrophobicContact CB-CG 4.08Å; V35-E133 HydrophobicContact CG2-CB 3.98Å; V35-E133 HydrophobicContact CG2-CG 4Å; M129-E133 HydrophobicContact CG-CB 3.37Å; M129-E133 HydrophobicContact CG-CG 4.31Å; M129-E133 HydrophobicContact SD-CB 3.71Å; T130-E133 WeakPolarHBondContact CB-OE2 3.19Å; T130-E133 PolarHBondContact N-OE2 2.72Å; T130-E133 PolarHBondContact O-N 2.87Å; T130-E133 VanDerWaalsContact OG1-CD 3.29Å; T130-E133 WeakPolarHBondContact OG1-CG 3.46Å; T130-E133 PolarHBondContact OG1-OE2 2.69Å; E133-A136 PolarHBondContact O-N 3.49Å; E133-T137 VanDerWaalsContact O-CB 3.24Å; E133-T137 WeakPolarHBondContact O-CB 3.5Å; E133-T137 PolarHBondContact O-N 3.44Å; E133-T137 PolarHBondContact O-OG1 3.2Å
134E91.3Very high88.8Confident23 Ų2361 Ų6111%0.10730%0.296CS..Hα-helixtrans-63.9-47.8174172.3168.9-144.600111.6P76 R78 L79 M129 T130 F131 A136 T137 L138P76-E134 VanDerWaalsContact CB-OE1 3.27Å; P76-E134 WeakPolarHBondContact CB-OE1 3.24Å; R78-E134 WeakPolarHBondContact CB-OE1 3.48Å; R78-E134 WeakPolarHBondContact CD-OE1 3.41Å; L79-E134 HydrophobicContact CD1-CB 4.27Å; L79-E134 HydrophobicContact CD1-CG 3.96Å; L79-E134 HydrophobicContact CD2-CG 4.48Å; L79-E134 HydrophobicContact CG-CG 4.11Å; M129-E134 HydrophobicContact CE-CB 4.46Å; T130-E134 WeakPolarHBondContact O-CB 3.39Å; T130-E134 PolarHBondContact O-N 3.44Å; F131-E134 PolarHBondContact O-N 2.99Å; E134-A136 PolarHBondContact O-N 3.5Å; E134-T137 PolarHBondContact O-N 3.23Å; E134-L138 HydrophobicContact CG-CD1 4.36Å; E134-L138 WeakPolarHBondContact O-CG 3.2Å; E134-L138 PolarHBondContact O-N 2.99Å
135I89.1Confident88.7Confident53 Ų5356.4 Ų56.427%0.27228%0.281SS..Hα-helixtrans-63.2-41175.9-62.1-51.9000111.4F131 E132 T137 L138F131-I135 HydrophobicContact CD1-CG1 4.3Å; F131-I135 HydrophobicContact CD2-CG1 4.45Å; F131-I135 HydrophobicContact CE1-CD1 4.41Å; F131-I135 HydrophobicContact CE1-CG1 3.87Å; F131-I135 HydrophobicContact CE2-CD1 3.86Å; F131-I135 HydrophobicContact CE2-CG1 4.04Å; F131-I135 HydrophobicContact CZ-CD1 3.76Å; F131-I135 HydrophobicContact CZ-CG1 3.74Å; F131-I135 WeakPolarHBondContact O-CG1 3.45Å; F131-I135 PolarHBondContact O-N 3.25Å; E132-I135 PolarHBondContact O-N 3.25Å; I135-T137 VanDerWaalsContact C-N 3.34Å; I135-T137 PolarHBondContact O-N 3.4Å; I135-L138 HydrophobicContact CD1-CD1 3.95Å; I135-L138 PolarHBondContact O-N 3.05Å
136A88.7Confident88.7Confident31 Ų3151.6 Ų51.626%0.25627%0.267SS..Hα-helixtrans-65.2-36.5175.800000112.8V35 L39 E132 E133 E134V35-A136 HydrophobicContact CG1-CB 4.24Å; L39-A136 HydrophobicContact CD1-CB 4.29Å; E132-A136 WeakPolarHBondContact O-CB 3.47Å; E132-A136 PolarHBondContact O-N 2.85Å; E133-A136 PolarHBondContact O-N 3.49Å; E134-A136 PolarHBondContact O-N 3.5Å
137T90.6Very high88.8Confident0 Ų046.1 Ų46.10%025%0.246CC..Hα-helixtrans-72.3-39.1177.4-58.40000111.7L67 M68 L79 M129 E133 E134 I135 Q139 Q140 F141L67-T137 HydrophobicContact CB-CG2 4.18Å; L67-T137 HydrophobicContact CD1-CG2 4.03Å; M68-T137 HydrophobicContact CG-CG2 3.82Å; M68-T137 HydrophobicContact SD-CG2 4.26Å; L79-T137 HydrophobicContact CD1-CG2 4.33Å; L79-T137 HydrophobicContact CD2-CG2 4.27Å; M129-T137 HydrophobicContact CE-CG2 4.3Å; E133-T137 VanDerWaalsContact O-CB 3.24Å; E133-T137 WeakPolarHBondContact O-CB 3.5Å; E133-T137 PolarHBondContact O-N 3.44Å; E133-T137 PolarHBondContact O-OG1 3.2Å; E134-T137 PolarHBondContact O-N 3.23Å; I135-T137 VanDerWaalsContact C-N 3.34Å; I135-T137 PolarHBondContact O-N 3.4Å; T137-Q139 PolarHBondContact O-N 3.45Å; T137-Q140 WeakPolarHBondContact O-CB 3.38Å; T137-Q140 PolarHBondContact O-N 3.24Å; T137-F141 HydrophobicContact CG2-CD2 4.42Å; T137-F141 HydrophobicContact CG2-CE2 3.98Å
138L91.1Very high88.8Confident1 Ų148.2 Ų48.21%0.00525%0.246CC..Hα-helixtrans-54-37.7175.9-80.4167.4000112.5L79 L82 E134 I135 Q140 F141 V151 M154L79-L138 HydrophobicContact CD2-CD2 3.65Å; L79-L138 HydrophobicContact CD2-CG 3.76Å; L82-L138 HydrophobicContact CD1-CD2 3.55Å; E134-L138 HydrophobicContact CG-CD1 4.36Å; E134-L138 WeakPolarHBondContact O-CG 3.2Å; E134-L138 PolarHBondContact O-N 2.99Å; I135-L138 HydrophobicContact CD1-CD1 3.95Å; I135-L138 PolarHBondContact O-N 3.05Å; L138-Q140 PolarHBondContact O-N 3.31Å; L138-F141 PolarHBondContact O-N 3.46Å; L138-V151 HydrophobicContact CB-CG1 4.32Å; L138-V151 HydrophobicContact CD2-CG1 4.4Å; L138-V151 HydrophobicContact CD2-CG2 4.45Å; L138-V151 WeakPolarHBondContact O-CG1 3.41Å; L138-M154 HydrophobicContact CD2-SD 4.29Å
139Q87.8Confident88.8Confident86 Ų8647.6 Ų47.640%0.40225%0.251SS..G310 helixtrans-61.2-29178.3-58.2-51.4-61.400113T137 F141 L142T137-Q139 PolarHBondContact O-N 3.45Å; Q139-F141 VanDerWaalsContact C-N 3.34Å; Q139-L142 WeakPolarHBondContact O-CB 3.32Å; Q139-L142 PolarHBondContact O-N 3.28Å
140Q88.7Confident88.8Confident14 Ų1449.4 Ų49.47%0.06526%0.26CS..G310 helixtrans-71.2-30.9175.9-57.1-51.3-51.900112.1L39 L42 I64 L67 T137 L138 L142 R143 F144L39-Q140 HydrophobicContact CD2-CG 4.01Å; L42-Q140 HydrophobicContact CD1-CG 4.49Å; I64-Q140 HydrophobicContact CD1-CB 4.25Å; I64-Q140 HydrophobicContact CG1-CB 4.43Å; L67-Q140 HydrophobicContact CD1-CG 4.11Å; T137-Q140 WeakPolarHBondContact O-CB 3.38Å; T137-Q140 PolarHBondContact O-N 3.24Å; L138-Q140 PolarHBondContact O-N 3.31Å; Q140-L142 PolarHBondContact O-N 2.91Å; Q140-R143 WeakPolarHBondContact O-CB 3.43Å; Q140-R143 VanDerWaalsContact O-CD 3.32Å; Q140-R143 WeakPolarHBondContact O-CD 3.47Å; Q140-R143 WeakPolarHBondContact O-CG 3.29Å; Q140-R143 PolarHBondContact O-N 3.08Å; Q140-F144 WeakPolarHBondContact O-CE2 3.27Å
141F90.4Very high89Confident0 Ų045.9 Ų45.90%024%0.239CC..G310 helixtrans-73.1-5.6177.1-73.8-82.2000114.1I64 M68 L79 L82 L83 L86 T137 L138 Q139 R143 T147 V151I64-F141 HydrophobicContact CG2-CE1 3.98Å; I64-F141 HydrophobicContact CG2-CE2 3.83Å; I64-F141 HydrophobicContact CG2-CZ 3.53Å; M68-F141 HydrophobicContact SD-CE2 3.86Å; M68-F141 HydrophobicContact SD-CZ 3.82Å; L79-F141 HydrophobicContact CD2-CD2 4.29Å; L79-F141 HydrophobicContact CD2-CE2 4Å; L82-F141 HydrophobicContact CB-CD1 3.61Å; L82-F141 HydrophobicContact CB-CD2 4.4Å; L82-F141 HydrophobicContact CB-CE1 3.51Å; L82-F141 HydrophobicContact CB-CE2 4.34Å; L82-F141 HydrophobicContact CB-CG 4.04Å; L82-F141 HydrophobicContact CB-CZ 3.9Å; L82-F141 HydrophobicContact CD1-CB 3.98Å; L82-F141 HydrophobicContact CD1-CD1 4.25Å; L82-F141 HydrophobicContact CD1-CD2 3.88Å; L82-F141 HydrophobicContact CD1-CE2 4.36Å; L82-F141 HydrophobicContact CD1-CG 3.81Å; L82-F141 HydrophobicContact CG-CD1 4.5Å; L83-F141 HydrophobicContact CD2-CE1 4.13Å; L83-F141 HydrophobicContact CD2-CZ 3.79Å; L83-F141 HydrophobicContact CG-CZ 4.13Å; L86-F141 HydrophobicContact CD1-CD1 3.89Å; L86-F141 HydrophobicContact CD1-CE1 3.48Å; L86-F141 VanDerWaalsContact CD1-CE1 3.48Å; L86-F141 HydrophobicContact CG-CD1 4.35Å; L86-F141 HydrophobicContact CG-CE1 4.02Å; T137-F141 HydrophobicContact CG2-CD2 4.42Å; T137-F141 HydrophobicContact CG2-CE2 3.98Å; L138-F141 PolarHBondContact O-N 3.46Å; Q139-F141 VanDerWaalsContact C-N 3.34Å; F141-R143 PolarHBondContact O-N 3.37Å; F141-T147 HydrophobicContact CD1-CG2 3.98Å; F141-T147 WeakPolarHBondContact O-CB 3.46Å; F141-T147 PolarHBondContact O-OG1 2.92Å; F141-V151 HydrophobicContact CB-CG2 3.48Å; F141-V151 VanDerWaalsContact CB-CG2 3.48Å
142L88.1Confident89.1Confident50 Ų5044 Ų4426%0.26223%0.232SC..G310 helixtrans-71.6-15.5170.2-69.8171.2000113.4Q139 Q140 K148 V151 E152Q139-L142 WeakPolarHBondContact O-CB 3.32Å; Q139-L142 PolarHBondContact O-N 3.28Å; Q140-L142 PolarHBondContact O-N 2.91Å; L142-K148 HydrophobicContact CD2-CG 4.26Å; L142-V151 HydrophobicContact CD2-CB 3.83Å; L142-V151 HydrophobicContact CD2-CG1 3.59Å; L142-V151 HydrophobicContact CG-CB 4.37Å; L142-V151 HydrophobicContact CG-CG1 3.78Å; L142-E152 HydrophobicContact CD2-CG 3.76Å
143R84Confident89.1Confident30 Ų3042.6 Ų42.611%0.11323%0.228CC..SBendtrans-76-28.2-174.2-63.5160.861.2157.8-3.5113.3L42 H45 E54 Q140 F141L42-R143 PolarHBondContact O-NH1 3Å; H45-R143 VanDerWaalsContact CB-NH2 3.32Å; E54-R143 HydrophobicContact CB-CB 4.34Å; E54-R143 VanDerWaalsContact CD-NH2 3.26Å; E54-R143 PolarHBondContact N-O 3.4Å; E54-R143 VanDerWaalsContact N-O 3.08Å; E54-R143 IonicContact OE1-CZ 3.6Å; E54-R143 IonicContact OE1-NH2 2.65Å; E54-R143 PolarHBondContact OE1-NH2 3.34Å; E54-R143 WeakPolarHBondContact OE2-CB 3.35Å; E54-R143 IonicContact OE2-CZ 3.34Å; E54-R143 IonicContact OE2-NE 2.61Å; E54-R143 PolarHBondContact OE2-NE 2.82Å; E54-R143 IonicContact OE2-NH2 2.69Å; E54-R143 PolarHBondContact OE2-NH2 2.95Å; Q140-R143 WeakPolarHBondContact O-CB 3.43Å; Q140-R143 VanDerWaalsContact O-CD 3.32Å; Q140-R143 WeakPolarHBondContact O-CD 3.47Å; Q140-R143 WeakPolarHBondContact O-CG 3.29Å; Q140-R143 PolarHBondContact O-N 3.08Å; F141-R143 PolarHBondContact O-N 3.37Å
144F86.6Confident89.1Confident1 Ų142.6 Ų42.60%0.00423%0.229CC..SBendtrans-100.5135.3-178.9-40.2-83.8000111.3E54 V56 V60 I64 L86 Q140 E146 T147 K148E54-F144 HydrophobicContact CB-CD1 4.22Å; E54-F144 HydrophobicContact CB-CE1 4.11Å; E54-F144 HydrophobicContact CG-CE1 4.03Å; V56-F144 HydrophobicContact CG2-CB 4.46Å; V56-F144 HydrophobicContact CG2-CD1 3.93Å; V56-F144 HydrophobicContact CG2-CG 4.47Å; V60-F144 HydrophobicContact CG1-CE1 3.78Å; V60-F144 HydrophobicContact CG1-CZ 3.69Å; I64-F144 HydrophobicContact CD1-CD2 4.49Å; I64-F144 HydrophobicContact CD1-CE2 3.26Å; I64-F144 HydrophobicContact CD1-CZ 3.39Å; L86-F144 HydrophobicContact CD1-CD2 4.31Å; L86-F144 HydrophobicContact CD1-CE2 4.34Å; L86-F144 HydrophobicContact CD2-CB 4.03Å; L86-F144 HydrophobicContact CD2-CD1 4.35Å; L86-F144 HydrophobicContact CD2-CD2 3.95Å; L86-F144 HydrophobicContact CD2-CG 3.8Å; Q140-F144 WeakPolarHBondContact O-CE2 3.27Å; F144-E146 VanDerWaalsContact C-N 3.28Å; F144-E146 PolarHBondContact O-N 3.04Å; F144-T147 PolarHBondContact O-N 3.21Å; F144-T147 PolarHBondContact O-OG1 3.26Å; F144-K148 VanDerWaalsContact O-CB 3.29Å; F144-K148 WeakPolarHBondContact O-CB 3.36Å; F144-K148 PolarHBondContact O-N 3.4Å
145G83.5Confident88.8Confident39 Ų3942.7 Ų42.740%0.40223%0.232SC..Hα-helixtrans-58.1-4017900000112.9V53 T147V53-G145 VanDerWaalsContact CG1-N 3.3Å; G145-T147 PolarHBondContact O-N 3.11Å
146E85.9Confident88.5Confident110 Ų11045.1 Ų45.151%0.51425%0.245SC..Hα-helixtrans-59.6-28.9179.9-60.6-53.5136.100114.3V89 F144V89-E146 HydrophobicContact CG2-CG 4.22Å; F144-E146 VanDerWaalsContact C-N 3.28Å; F144-E146 PolarHBondContact O-N 3.04Å
147T91.5Very high88.1Confident0 Ų050.1 Ų50.10%026%0.263CS..Hα-helixtrans-111.4-26.3-176.349.10000113.6L82 R85 L86 F141 F144 G145 S149 I150 V151L82-T147 HydrophobicContact CB-CG2 4Å; L82-T147 HydrophobicContact CD2-CG2 4.04Å; R85-T147 HydrophobicContact CB-CG2 3.88Å; L86-T147 HydrophobicContact CD2-CG2 3.99Å; L86-T147 HydrophobicContact CG-CG2 4.26Å; F141-T147 HydrophobicContact CD1-CG2 3.98Å; F141-T147 WeakPolarHBondContact O-CB 3.46Å; F141-T147 PolarHBondContact O-OG1 2.92Å; F144-T147 PolarHBondContact O-N 3.21Å; F144-T147 PolarHBondContact O-OG1 3.26Å; G145-T147 PolarHBondContact O-N 3.11Å; T147-S149 PolarHBondContact O-N 3.19Å; T147-I150 WeakPolarHBondContact O-CB 3.34Å; T147-I150 PolarHBondContact O-N 3.38Å; T147-V151 WeakPolarHBondContact O-CG2 3.4Å; T147-V151 PolarHBondContact O-N 3.23Å
148K90.1Very high87.3Confident93 Ų9352.4 Ų52.440%0.40428%0.275SS..Hα-helixtrans-49.2-53.9-173.8178.9172.7-179.7170.40113.7L142 F144 I150 V151 E152L142-K148 HydrophobicContact CD2-CG 4.26Å; F144-K148 VanDerWaalsContact O-CB 3.29Å; F144-K148 WeakPolarHBondContact O-CB 3.36Å; F144-K148 PolarHBondContact O-N 3.4Å; K148-I150 VanDerWaalsContact C-N 3.28Å; K148-I150 PolarHBondContact O-N 3.48Å; K148-V151 PolarHBondContact O-N 3.21Å; K148-V151 VanDerWaalsContact O-N 3.13Å; K148-E152 WeakPolarHBondContact CE-OE1 3.4Å; K148-E152 HydrophobicContact CG-CG 4.38Å; K148-E152 WeakPolarHBondContact CG-OE1 3.36Å; K148-E152 WeakPolarHBondContact O-CG 3.49Å; K148-E152 PolarHBondContact O-N 2.88Å
149S90.8Very high86.3Confident86 Ų8659.3 Ų59.360%0.60131%0.305SS*.Hα-helixtrans-61.7-34.4-178.6179.40000113T147 L153T147-S149 PolarHBondContact O-N 3.19Å; S149-L153 WeakPolarHBondContact O-CB 3.38Å; S149-L153 PolarHBondContact O-N 3.13Å; S149-L153 VanDerWaalsContact O-N 3.1Å
150I91.6Very high85.1Confident45 Ų4562 Ų6223%0.23132%0.318CS..Hα-helixtrans-70.6-42.1176.7-54.5176000110.2L82 R85 T147 K148 L153 M154L82-I150 HydrophobicContact CD2-CB 3.82Å; L82-I150 HydrophobicContact CD2-CD1 4.46Å; L82-I150 HydrophobicContact CD2-CG2 3.67Å; R85-I150 HydrophobicContact CG-CD1 4.24Å; T147-I150 WeakPolarHBondContact O-CB 3.34Å; T147-I150 PolarHBondContact O-N 3.38Å; K148-I150 VanDerWaalsContact C-N 3.28Å; K148-I150 PolarHBondContact O-N 3.48Å; I150-L153 PolarHBondContact O-N 2.99Å; I150-M154 HydrophobicContact CG2-CE 3.85Å; I150-M154 WeakPolarHBondContact O-CB 2.88Å; I150-M154 WeakPolarHBondContact O-CG 3.42Å; I150-M154 PolarHBondContact O-N 2.87Å
151V92.1Very high83.4Confident0 Ų063.2 Ų63.20%033%0.333CS..Hα-helixtrans-66.8-41.1178179.20000111.6L82 L138 F141 L142 T147 K148 M154 S155L82-V151 HydrophobicContact CD1-CG2 3.63Å; L82-V151 HydrophobicContact CD2-CG2 3.95Å; L82-V151 HydrophobicContact CG-CG2 4.46Å; L138-V151 HydrophobicContact CB-CG1 4.32Å; L138-V151 HydrophobicContact CD2-CG1 4.4Å; L138-V151 HydrophobicContact CD2-CG2 4.45Å; L138-V151 WeakPolarHBondContact O-CG1 3.41Å; F141-V151 HydrophobicContact CB-CG2 3.48Å; F141-V151 VanDerWaalsContact CB-CG2 3.48Å; L142-V151 HydrophobicContact CD2-CB 3.83Å; L142-V151 HydrophobicContact CD2-CG1 3.59Å; L142-V151 HydrophobicContact CG-CB 4.37Å; L142-V151 HydrophobicContact CG-CG1 3.78Å; T147-V151 WeakPolarHBondContact O-CG2 3.4Å; T147-V151 PolarHBondContact O-N 3.23Å; K148-V151 PolarHBondContact O-N 3.21Å; K148-V151 VanDerWaalsContact O-N 3.13Å; V151-M154 PolarHBondContact O-N 3.29Å; V151-S155 VanDerWaalsContact O-CB 3.27Å; V151-S155 WeakPolarHBondContact O-CB 3.25Å; V151-S155 PolarHBondContact O-N 3.42Å; V151-S155 PolarHBondContact O-OG 3.03Å
152E90.5Very high81.4Confident89 Ų8969.7 Ų69.742%0.41636%0.364SS..Hα-helixtrans-60.1-47174.6-73.3171.3170.800110.6L142 K148 M154 S155 L156L142-E152 HydrophobicContact CD2-CG 3.76Å; K148-E152 WeakPolarHBondContact CE-OE1 3.4Å; K148-E152 HydrophobicContact CG-CG 4.38Å; K148-E152 WeakPolarHBondContact CG-OE1 3.36Å; K148-E152 WeakPolarHBondContact O-CG 3.49Å; K148-E152 PolarHBondContact O-N 2.88Å; E152-M154 PolarHBondContact O-N 3.03Å; E152-S155 PolarHBondContact O-N 2.86Å; E152-L156 WeakPolarHBondContact O-CG 3.48Å; E152-L156 PolarHBondContact O-N 2.75Å
153L88.5Confident79.2Confident121 Ų12171.6 Ų71.663%0.63439%0.387SS*.Hα-helixtrans-60.4-45.8175.6-164.785.3000112.3S149 I150 S155 L156 Q157S149-L153 WeakPolarHBondContact O-CB 3.38Å; S149-L153 PolarHBondContact O-N 3.13Å; S149-L153 VanDerWaalsContact O-N 3.1Å; I150-L153 PolarHBondContact O-N 2.99Å; L153-S155 VanDerWaalsContact C-N 3.32Å; L153-S155 PolarHBondContact O-N 3Å; L153-L156 PolarHBondContact O-N 2.68Å; L153-Q157 PolarHBondContact O-N 2.92Å
154M89.7Confident77.3Confident23 Ų2376 Ų7611%0.11342%0.417CS..Hα-helixtrans-61.7-39.1175.1-75.2-175.2-177.500112R78 I81 L138 I150 V151 E152 Q157 D158R78-M154 HydrophobicContact CB-CE 4.08Å; R78-M154 HydrophobicContact CB-SD 3.88Å; R78-M154 HydrophobicContact CG-CE 4.41Å; R78-M154 HydrophobicContact CG-SD 4.23Å; I81-M154 HydrophobicContact CD1-CE 4.45Å; L138-M154 HydrophobicContact CD2-SD 4.29Å; I150-M154 HydrophobicContact CG2-CE 3.85Å; I150-M154 WeakPolarHBondContact O-CB 2.88Å; I150-M154 WeakPolarHBondContact O-CG 3.42Å; I150-M154 PolarHBondContact O-N 2.87Å; V151-M154 PolarHBondContact O-N 3.29Å; E152-M154 PolarHBondContact O-N 3.03Å; M154-Q157 PolarHBondContact O-N 3.29Å; M154-D158 PolarHBondContact O-N 3.14Å
155S85.3Confident75.1Confident24 Ų2480.8 Ų80.817%0.16844%0.442CS..Hα-helixtrans-71.1-31.3179.7-58.70000112.6V151 E152 L153 K159V151-S155 VanDerWaalsContact O-CB 3.27Å; V151-S155 WeakPolarHBondContact O-CB 3.25Å; V151-S155 PolarHBondContact O-N 3.42Å; V151-S155 PolarHBondContact O-OG 3.03Å; E152-S155 PolarHBondContact O-N 2.86Å; L153-S155 VanDerWaalsContact C-N 3.32Å; L153-S155 PolarHBondContact O-N 3Å; S155-K159 WeakPolarHBondContact O-CD 3.17Å; S155-K159 VanDerWaalsContact O-CG 3.27Å; S155-K159 WeakPolarHBondContact O-CG 3.32Å; S155-K159 PolarHBondContact O-N 2.82Å
156L82.3Confident72.8Confident104 Ų10484.9 Ų84.955%0.54546%0.459SS..Hα-helixtrans-70-43169.9-70171000110.9E152 L153 D158 K159 E160E152-L156 WeakPolarHBondContact O-CG 3.48Å; E152-L156 PolarHBondContact O-N 2.75Å; L153-L156 PolarHBondContact O-N 2.68Å; L156-D158 VanDerWaalsContact C-N 3.33Å; L156-D158 PolarHBondContact O-N 3.46Å; L156-K159 PolarHBondContact O-N 2.94Å; L156-K159 VanDerWaalsContact O-N 3.13Å; L156-E160 PolarHBondContact O-N 3.36Å
157Q80.9Confident70.4Confident136 Ų13684.9 Ų84.964%0.63647%0.468SS*.Hα-helixtrans-62.8-37176.9-172170.531.800112.8L153 M154 G161L153-Q157 PolarHBondContact O-N 2.92Å; M154-Q157 PolarHBondContact O-N 3.29Å; Q157-G161 PolarHBondContact O-N 2.71Å
158D74.4Confident67.9Low49 Ų4988.1 Ų88.126%0.26249%0.491SS..Hα-helixtrans-63.2-44.4171.3-75.8-26.1000111.7R78 M154 L156 G161 Q162R78-D158 IonicContact CZ-OD1 3.63Å; R78-D158 IonicContact CZ-OD2 3.6Å; R78-D158 VanDerWaalsContact CZ-OD2 3.3Å; R78-D158 VanDerWaalsContact NH1-CG 3.28Å; R78-D158 IonicContact NH1-OD1 3.41Å; R78-D158 PolarHBondContact NH1-OD1 3.07Å; R78-D158 IonicContact NH1-OD2 2.66Å; R78-D158 PolarHBondContact NH1-OD2 2.94Å; R78-D158 IonicContact NH2-OD1 2.98Å; R78-D158 IonicContact NH2-OD2 3.39Å; R78-D158 PolarHBondContact NH2-OD2 3.37Å; M154-D158 PolarHBondContact O-N 3.14Å; L156-D158 VanDerWaalsContact C-N 3.33Å; L156-D158 PolarHBondContact O-N 3.46Å; D158-G161 PolarHBondContact O-N 3.2Å; D158-Q162 WeakPolarHBondContact O-CB 3.4Å; D158-Q162 PolarHBondContact O-N 2.93Å
159K69.2Low65.7Low146 Ų14689.1 Ų89.164%0.63551%0.505SS*.Hα-helixtrans-62.6-43.7178.6-73.4168-176.3178.30111.9S155 L156 Q162 A163S155-K159 WeakPolarHBondContact O-CD 3.17Å; S155-K159 VanDerWaalsContact O-CG 3.27Å; S155-K159 WeakPolarHBondContact O-CG 3.32Å; S155-K159 PolarHBondContact O-N 2.82Å; L156-K159 PolarHBondContact O-N 2.94Å; L156-K159 VanDerWaalsContact O-N 3.13Å; K159-Q162 PolarHBondContact O-N 3.41Å; K159-A163 VanDerWaalsContact O-CB 3.26Å; K159-A163 WeakPolarHBondContact O-CB 3.32Å; K159-A163 PolarHBondContact O-N 3.31Å
160E62.3Low63.4Low143 Ų14394.2 Ų94.267%0.66851%0.511SS*.Hα-helixtrans-66.4-41.7174.1-69.7-171.1160.800112.1L156 Q162 A163 V164L156-E160 PolarHBondContact O-N 3.36Å; E160-Q162 VanDerWaalsContact C-N 3.32Å; E160-Q162 PolarHBondContact O-N 3.1Å; E160-A163 PolarHBondContact O-N 3.49Å; E160-V164 WeakPolarHBondContact O-CG2 3.03Å; E160-V164 PolarHBondContact O-N 3.37Å; E160-V164 VanDerWaalsContact O-N 3.07Å
161G53.3Low61.2Low38 Ų3895.6 Ų95.639%0.39252%0.521SS..Hα-helixtrans-60-41.2175.600000112.6Q157 D158 L165Q157-G161 PolarHBondContact O-N 2.71Å; D158-G161 PolarHBondContact O-N 3.2Å; G161-L165 WeakPolarHBondContact O-CG 3.19Å; G161-L165 PolarHBondContact O-N 3.23Å
162Q48.4Very low58.6Low136 Ų136100.2 Ų100.264%0.63655%0.546SS*.Hα-helixtrans-74.3-37.5177.6-152.971.4400112.2D158 K159 E160 V164 L165D158-Q162 WeakPolarHBondContact O-CB 3.4Å; D158-Q162 PolarHBondContact O-N 2.93Å; K159-Q162 PolarHBondContact O-N 3.41Å; E160-Q162 VanDerWaalsContact C-N 3.32Å; E160-Q162 PolarHBondContact O-N 3.1Å; Q162-V164 PolarHBondContact O-N 2.8Å; Q162-L165 PolarHBondContact O-N 3.27Å
163A42Very low56.6Low90 Ų9099.2 Ų99.274%0.74455%0.549SS*.Hα-helixtrans-66.3-23.6175.300000113.3K159 E160K159-A163 VanDerWaalsContact O-CB 3.26Å; K159-A163 WeakPolarHBondContact O-CB 3.32Å; K159-A163 PolarHBondContact O-N 3.31Å; E160-A163 PolarHBondContact O-N 3.49Å
164V45.1Very low54.5Low124 Ų12497.2 Ų97.275%0.75254%0.539SS*.THydrogen-bonded Turntrans-85.6-9.2173.4172.80000112.4E160 Q162 V166E160-V164 WeakPolarHBondContact O-CG2 3.03Å; E160-V164 PolarHBondContact O-N 3.37Å; E160-V164 VanDerWaalsContact O-N 3.07Å; Q162-V164 PolarHBondContact O-N 2.8Å; V164-V166 PolarHBondContact O-N 3.49Å
165L39Very low52.9Low101 Ų101100.8 Ų100.853%0.52956%0.557SS.*  trans-9294.1178.3-79.3169.5000112.7G161 Q162G161-L165 WeakPolarHBondContact O-CG 3.19Å; G161-L165 PolarHBondContact O-N 3.23Å; Q162-L165 PolarHBondContact O-N 3.27Å
166V35.1Very low51.5Low125 Ų125108.1 Ų108.176%0.75858%0.581SS**  trans-52.7135.4155.5178.40000108.8V164 S168V164-V166 PolarHBondContact O-N 3.49Å; V166-S168 PolarHBondContact O-N 3.37Å
167P37.1Very low50Low110 Ų110106.4 Ų106.471%0.71458%0.576SS**  trans-53.7101.9-169.6-31.637.1000115.6T169P167-T169 PolarHBondContact O-N 2.84Å; P167-T169 VanDerWaalsContact O-N 3.08Å
168S38.3Very low48.9Very low67 Ų67106.3 Ų106.347%0.46957%0.573SS.*THydrogen-bonded Turntrans-83.729.1-175.8-157.20000113.6V166 N172V166-S168 PolarHBondContact O-N 3.37Å; S168-N172 PolarHBondContact O-ND2 3.48Å
169T44.6Very low48.3Very low115 Ų115108.7 Ų108.771%0.70659%0.585SS**THydrogen-bonded Turntrans-92.7-33.5-177.149.10000113P167P167-T169 PolarHBondContact O-N 2.84Å; P167-T169 VanDerWaalsContact O-N 3.08Å
170R41.9Very low47.5Very low193 Ų193106.7 Ų106.773%0.72858%0.578SS**Hα-helixtrans-71.2-48.4-178.5-167.1174.4-177.8157.75.1112.9N172 S173 D174R170-N172 VanDerWaalsContact C-N 3.31Å; R170-N172 PolarHBondContact O-N 3.44Å; R170-S173 WeakPolarHBondContact O-CB 3.34Å; R170-S173 PolarHBondContact O-N 3.24Å; R170-D174 PolarHBondContact O-N 2.88Å
171T44.5Very low46.5Very low73 Ų73110.6 Ų110.645%0.44859%0.586SS.*Hα-helixtrans-63.6-31.8-177.148.50000113.7S173 D174 I175T171-S173 VanDerWaalsContact C-N 3.29Å; T171-S173 PolarHBondContact O-N 3.13Å; T171-D174 PolarHBondContact O-N 3.41Å; T171-I175 WeakPolarHBondContact O-CB 3.48Å; T171-I175 WeakPolarHBondContact O-CD1 3.27Å; T171-I175 VanDerWaalsContact O-CG1 3.22Å; T171-I175 WeakPolarHBondContact O-CG1 3.48Å; T171-I175 PolarHBondContact O-N 2.98Å
172N39.3Very low45.8Very low97 Ų97113.6 Ų113.652%0.51959%0.594SS.*Hα-helixtrans-70.8-23.6175.3-79-68000113.1S168 R170S168-N172 PolarHBondContact O-ND2 3.48Å; R170-N172 VanDerWaalsContact C-N 3.31Å; R170-N172 PolarHBondContact O-N 3.44Å
173S47.5Very low45.2Very low68 Ų68110.9 Ų110.948%0.47659%0.586SS.*Hα-helixtrans-77.6-48.7167.8-170.80000111.1R170 T171 I175 R176 T177R170-S173 WeakPolarHBondContact O-CB 3.34Å; R170-S173 PolarHBondContact O-N 3.24Å; T171-S173 VanDerWaalsContact C-N 3.29Å; T171-S173 PolarHBondContact O-N 3.13Å; S173-I175 VanDerWaalsContact C-N 3.32Å; S173-I175 PolarHBondContact O-N 3.3Å; S173-R176 PolarHBondContact O-N 2.92Å; S173-R176 VanDerWaalsContact O-N 3.09Å; S173-T177 PolarHBondContact O-N 2.9Å; S173-T177 PolarHBondContact O-OG1 2.99Å
174D44.6Very low44.8Very low79 Ų79112.7 Ų112.742%0.42259%0.59SS.*Hα-helixtrans-62-36.5-178.3-64.7-28.5000112.3R170 T171 T177 F178R170-D174 PolarHBondContact O-N 2.88Å; T171-D174 PolarHBondContact O-N 3.41Å; D174-T177 WeakPolarHBondContact CA-OG1 3.44Å; D174-T177 PolarHBondContact O-OG1 3.15Å; D174-F178 WeakPolarHBondContact O-CB 3.38Å; D174-F178 PolarHBondContact O-N 2.97Å
175I56.8Low44.2Very low98 Ų98115.6 Ų115.650%0.50359%0.588SS.*Hα-helixtrans-68.8-39.3174.8-69.6164.7000111.3T171 S173 I179T171-I175 WeakPolarHBondContact O-CB 3.48Å; T171-I175 WeakPolarHBondContact O-CD1 3.27Å; T171-I175 VanDerWaalsContact O-CG1 3.22Å; T171-I175 WeakPolarHBondContact O-CG1 3.48Å; T171-I175 PolarHBondContact O-N 2.98Å; S173-I175 VanDerWaalsContact C-N 3.32Å; S173-I175 PolarHBondContact O-N 3.3Å; I175-I179 HydrophobicContact CG2-CD1 3.87Å; I175-I179 WeakPolarHBondContact O-CB 3.46Å; I175-I179 WeakPolarHBondContact O-CD1 3.05Å; I175-I179 VanDerWaalsContact O-CG1 3.25Å; I175-I179 WeakPolarHBondContact O-CG1 3.27Å; I175-I179 PolarHBondContact O-N 2.83Å
176R54.9Low43.6Very low178 Ų178115.9 Ų115.967%0.67260%0.598SS**Hα-helixtrans-66.9-49.8178.9-168.3177.6-60.4-162.31.5110.7S173 F178 I179 E180S173-R176 PolarHBondContact O-N 2.92Å; S173-R176 VanDerWaalsContact O-N 3.09Å; R176-F178 VanDerWaalsContact C-N 3.35Å; R176-F178 PolarHBondContact O-N 3.33Å; R176-I179 PolarHBondContact O-N 2.81Å; R176-E180 WeakPolarHBondContact O-CG 3.32Å; R176-E180 PolarHBondContact O-N 3.2Å
177T50.7Low43.5Very low69 Ų69116.2 Ų116.242%0.42360%0.601SS.*Hα-helixtrans-64.9-35.4176.455.80000112.4S173 D174 E180 R181S173-T177 PolarHBondContact O-N 2.9Å; S173-T177 PolarHBondContact O-OG1 2.99Å; D174-T177 WeakPolarHBondContact CA-OG1 3.44Å; D174-T177 PolarHBondContact O-OG1 3.15Å; T177-E180 PolarHBondContact O-N 3.17Å; T177-R181 WeakPolarHBondContact O-CB 3.1Å; T177-R181 PolarHBondContact O-N 2.72Å
178F57.8Low43.4Very low134 Ų134116.9 Ų116.959%0.58861%0.605SS**Hα-helixtrans-64.4-40.1172.7-178.2-92.7000112.5D174 R176 R181 N182D174-F178 WeakPolarHBondContact O-CB 3.38Å; D174-F178 PolarHBondContact O-N 2.97Å; R176-F178 VanDerWaalsContact C-N 3.35Å; R176-F178 PolarHBondContact O-N 3.33Å; F178-R181 PolarHBondContact O-N 3.25Å; F178-N182 WeakPolarHBondContact CE2-ND2 3.33Å; F178-N182 WeakPolarHBondContact CZ-ND2 3.33Å; F178-N182 WeakPolarHBondContact O-CB 3.47Å; F178-N182 PolarHBondContact O-N 3.06Å; F178-N182 VanDerWaalsContact O-N 3.1Å; F178-N182 PolarHBondContact O-ND2 2.86Å
179I63Low43Very low99 Ų99117.8 Ų117.851%0.50861%0.612SS.*Hα-helixtrans-66.3-42.5175.4-71.2166000110.7I175 R176 R181 N182 T183I175-I179 HydrophobicContact CG2-CD1 3.87Å; I175-I179 WeakPolarHBondContact O-CB 3.46Å; I175-I179 WeakPolarHBondContact O-CD1 3.05Å; I175-I179 VanDerWaalsContact O-CG1 3.25Å; I175-I179 WeakPolarHBondContact O-CG1 3.27Å; I175-I179 PolarHBondContact O-N 2.83Å; R176-I179 PolarHBondContact O-N 2.81Å; I179-R181 VanDerWaalsContact C-N 3.32Å; I179-R181 PolarHBondContact O-N 3.45Å; I179-N182 PolarHBondContact O-N 2.85Å; I179-T183 PolarHBondContact O-N 2.76Å; I179-T183 VanDerWaalsContact O-N 3.16Å; I179-T183 PolarHBondContact O-OG1 3.16Å
180E52Low42.2Very low103 Ų103120.6 Ų120.648%0.48162%0.621SS.*Hα-helixtrans-65.2-34.1175.6-69.9-175.5110.900112.8R176 T177 R185R176-E180 WeakPolarHBondContact O-CG 3.32Å; R176-E180 PolarHBondContact O-N 3.2Å; T177-E180 PolarHBondContact O-N 3.17Å; E180-R185 IonicContact OE1-NH2 2.78Å
181R40.9Very low41.5Very low225 Ų225116.5 Ų116.585%0.84962%0.622SS**Hα-helixtrans-78.8-13.8178.5-159173.6-160155.14.7114.2T177 F178 I179T177-R181 WeakPolarHBondContact O-CB 3.1Å; T177-R181 PolarHBondContact O-N 2.72Å; F178-R181 PolarHBondContact O-N 3.25Å; I179-R181 VanDerWaalsContact C-N 3.32Å; I179-R181 PolarHBondContact O-N 3.45Å
182N38.5Very low40.6Very low102 Ų102117.4 Ų117.455%0.54564%0.637SS.*Hα-helixtrans-112.93.8177.9-74.1-89.4000113.7F178 I179 P184F178-N182 WeakPolarHBondContact CE2-ND2 3.33Å; F178-N182 WeakPolarHBondContact CZ-ND2 3.33Å; F178-N182 WeakPolarHBondContact O-CB 3.47Å; F178-N182 PolarHBondContact O-N 3.06Å; F178-N182 VanDerWaalsContact O-N 3.1Å; F178-N182 PolarHBondContact O-ND2 2.86Å; I179-N182 PolarHBondContact O-N 2.85Å; N182-P184 WeakPolarHBondContact O-CD 3.26Å
183T36Very low40.1Very low79 Ų79119.3 Ų119.349%0.48565%0.652SS.*SBendtrans-94.1114.2175.2-59.30000109.7I179 R185I179-T183 PolarHBondContact O-N 2.76Å; I179-T183 VanDerWaalsContact O-N 3.16Å; I179-T183 PolarHBondContact O-OG1 3.16Å; T183-R185 PolarHBondContact O-N 3.33Å
184P33.6Very low39.1Very low127 Ų127124.8 Ų124.883%0.82567%0.668SS**  trans-65.1119.3174.726.9-32.9000109.5N182N182-P184 WeakPolarHBondContact O-CD 3.26Å
185R32.3Very low38.4Very low186 Ų186126.2 Ų126.270%0.70268%0.679SS**  trans-116.9139.4-172.6-161.4-171-61.3-147.45111.4E180 T183E180-R185 IonicContact OE1-NH2 2.78Å; T183-R185 PolarHBondContact O-N 3.33Å
186S26Very low36.9Very low107 Ų107130.2 Ų130.275%0.74870%0.695SS**  trans-142.1151.7174.6-53.90000106.9
187T32.5Very low35.6Very low131 Ų131130.9 Ų130.980%0.80470%0.703SS**  cis-148-169.61.1-9.10000106.9
188P35.9Very low34.5Very low124 Ų124136.2 Ų136.281%0.80573%0.727SS**  cis-128.6-121.423.741.4-19.8000113.7
189S30.1Very low33Very low87 Ų87135.1 Ų135.161%0.60874%0.736SS**  trans-108.1-179.8178.3-138.50000109
190L28.4Very low31.2Very low173 Ų173133.7 Ų133.791%0.90675%0.746SS**  cis-135.3-17944.2-76164000113.7
191S26.8Very low30Very low108 Ų108136 Ų13676%0.75576%0.762SS**  trans-146.1155-154.755.70000115.6
192A26.1Very low29.5Very low92 Ų92130.2 Ų130.276%0.7676%0.756SS**  trans-150.4120.7160.200000113.2
193T26.7Very low28.9Very low136 Ų136133.1 Ų133.183%0.83477%0.768SS**  trans-5.4152.9141.719.70000120.1
194K28.4Very low28.9Very low183 Ų183137.6 Ų137.680%0.79678%0.784SS**  cis-168.2170.710.8-164.7-172.6171.1-173.10110.8
195V28.3Very low28.6Very low109 Ų109140.4 Ų140.466%0.66179%0.785SS**  trans79.5135.9162.7-175.20000114.6
196E25Very low28.2Very low182 Ų182139.6 Ų139.685%0.8579%0.787SS**  cis-139.5-167.50-151.5137-142.200113.8
197K29.1Very low28.5Very low192 Ų192141.2 Ų141.284%0.83578%0.783SS**  trans-85.8156.1-178.7-64171.8175.1172.20113.8
198I27.8Very low28.3Very low181 Ų181139.9 Ų139.993%0.92877%0.771SS**  -172.6169.4118.9-96.7158.4000110.4
199S25Very low27.9Very low111 Ų111143.2 Ų143.278%0.77677%0.773SS**  trans-111.4158.7-161.6-169.70000114.8
200G25.8Very low27.8Very low70 Ų70144 Ų14472%0.72277%0.769SS**  trans-171.5140.6169.700000113.3
201N27.3Very low27.7Very low151 Ų151142.8 Ų142.881%0.80776%0.763SS**  trans-126.4161.6-167.8-73.6-2.8000114.1
202S29Very low27.7Very low104 Ų104143.2 Ų143.273%0.72777%0.766SS**  trans74.3160156.9-1320000116.3
203M27.2Very low27.9Very low163 Ų163146.3 Ų146.380%0.80377%0.767SS**  cis-133.2162.39.7-79.9-94.230.500112.4
204H35Very low27.9Very low173 Ų173144.1 Ų144.180%0.80176%0.763SS**  trans-100.3157.8161-76.9-90.3000111.5
205H27.1Very low27.9Very low186 Ų186144.5 Ų144.586%0.86177%0.765SS**  trans-152.9158.7141-128.2-80.6000113.2
206F23.9Very low28Very low169 Ų169147.1 Ų147.174%0.74177%0.772SS**  trans-144.7151.6-172.9-144.4-113000111.5
207E32.2Very low28.8Very low141 Ų141146.3 Ų146.366%0.65977%0.772SS**  trans66.8145151.5-99.8-177.3-157.400126.2
208N28.3Very low29.4Very low102 Ų102142.2 Ų142.255%0.54577%0.765SS.*  trans63.5120.7147.5-60.6-32.1000122.7
209F28.9Very low29.3Very low195 Ų195142 Ų14286%0.85576%0.758SS**  -156.4-176.8100.7-126.3-97.4000114.5
210I27.9Very low29.5Very low104 Ų104144.8 Ų144.853%0.53376%0.759SS.*  trans-150.5144-132.7-88148.3000114.8
211N25.9Very low29.6Very low146 Ų146148.7 Ų148.778%0.78176%0.762SS**  trans43.5123.9157.6-68.8-26.1000123.2
212S26.8Very low29.6Very low117 Ų117149 Ų14982%0.81876%0.763SS**  -170.7131.5125.1-168.10000108.5
213M29.6Very low29.4Very low158 Ų158147.2 Ų147.278%0.77876%0.761SS**  cis101.2138.127.9-78-67-159.300115.4
214A26.8Very low29.2Very low90 Ų90145 Ų14574%0.74476%0.761SS**  trans69162.217300000118.8
215F29.1Very low29.1Very low190 Ų190143.2 Ų143.283%0.83376%0.763SS**  -163.8168.6-54.3-123.7-72000109.3
216M30.7Very low29.7Very low165 Ų165140.3 Ų140.381%0.81376%0.761SS**  trans76.6148.9162.6-70.2164.348.500120.9
217L41.3Very low30.1Very low164 Ų164136.7 Ų136.786%0.85976%0.761SS**  trans-120.9155.9155.7-69.7170.5000106.6
218P41.5Very low30.9Very low106 Ų106135 Ų13569%0.68876%0.763SS**  -151.8153.8108.534.9-16.2000117.8
219F26.5Very low31Very low178 Ų178139.2 Ų139.278%0.78178%0.777SS**  trans34.4123147.7-59.1-58000125
220Q29.6Very low31.2Very low168 Ų168137.1 Ų137.179%0.78577%0.774SS**  69.4145.7128.2-61.717919.600123.2
221L27.5Very low31Very low152 Ų152135.3 Ų135.380%0.79678%0.78SS**  trans110.5132.6136.2-159.261.4000119.9
222L27.1Very low31.1Very low158 Ų158132 Ų13283%0.82778%0.781SS**  trans57.7117160.8-76.1163.7000122.7
223G24.5Very low31.1Very low66 Ų66131.3 Ų131.368%0.6878%0.782SS**  92.1114.995.300000122.5
224S24Very low30.9Very low116 Ų116128.6 Ų128.681%0.81178%0.779SS**  trans74.5113.9139.4-58.30000123.7
225V32.4Very low30.9Very low136 Ų136130.3 Ų130.382%0.82478%0.78SS**  43.8124.6104.2175.10000117.1
226P39Very low30.7Very low126 Ų126130 Ų13082%0.81878%0.781SS**  -149174.575.941.8-23.9000118.7
227A32.9Very low30.6Very low92 Ų92129.5 Ų129.576%0.7678%0.776SS**  trans-147.8149167.900000111.7
228P47.7Very low29.9Very low105 Ų105129.8 Ų129.868%0.68277%0.773SS**  trans-86.8171.6146.132.9-26.2000110
229F30.9Very low29.1Very low192 Ų192133 Ų13384%0.84278%0.784SS**  cis-169.3156.5-13.5-92-21.2000104.3
230L33.1Very low29.1Very low151 Ų151132.2 Ų132.279%0.79178%0.783SS**  cis-156.3171.4-6.1-99.9165.5000105.2
231G25.1Very low29Very low65 Ų65134.8 Ų134.867%0.6779%0.785SS**  cis11193.52.100000112.7
232G27.1Very low28.8Very low78 Ų78135.1 Ų135.180%0.80478%0.78SS**  cis-118.2-126.4-5.100000111.4
233A27.7Very low28.8Very low101 Ų101132.2 Ų132.284%0.83577%0.765SS**  cis-162.6178.8-5.100000108.4
234S24.6Very low29Very low101 Ų101136.8 Ų136.871%0.70677%0.769SS**  cis-153.2134452.90000112.8
235V27.6Very low29.3Very low127 Ų127135.5 Ų135.577%0.7776%0.756SS**  trans36.8116.5131.4-166.20000120.1
236E24.9Very low29.2Very low184 Ų184137.1 Ų137.186%0.8675%0.748SS**  -162.6-174.2108.5-105.2-163.3158.300112.2
237Q28Very low28.6Very low153 Ų153133.9 Ų133.972%0.71572%0.723SS**  trans-120.7151.3-150-59.8172.1-121.600116.3
238Q26.4Very low28.4Very low170 Ų170132.4 Ų132.479%0.79471%0.707SS**  trans46.6109.3131.7-176.5-175.1-15.100120
239L24.6Very low27.5Very low175 Ų175133.6 Ų133.692%0.91671%0.707SS**  trans-151.3165.1150.5-155.149.2000116.5
240Q27.2Very low27.3Very low160 Ų160127.6 Ų127.675%0.74870%0.699SS**  trans-92175-179-151.5111.3-700112.9
241R26.2Very low27.1Very low222 Ų222131.2 Ų131.284%0.83870%0.702SS**  trans73.9147.4162-66.7-178.5-173.7-165.22.1116.1
242K23.3Very low27Very low159 Ų159133.8 Ų133.869%0.69170%0.7SS**  cis92.5135.226.7-162.6-151.1179.8-760112.5
243D26.6Very low26.8Very low97 Ų97137.7 Ų137.752%0.51970%0.703SS.*  trans79.5115.9173.9-58.4-28.6000114.2
244E29.6Very low28Very low162 Ų162137.5 Ų137.576%0.75769%0.693SS**  82.4151.476.6-83.1-166.2115.700112.1
245V31Very low28.1Very low89 Ų89139.6 Ų139.654%0.53970%0.696SS.*  cis-162.8168.421.4105.90000109.6
246R29.4Very low28Very low171 Ų171141 Ų14165%0.64569%0.694SS**  trans129.8119.3139.7-146.474.5-156.6-175.620.4120.8
247D25.8Very low28.2Very low57 Ų57138.8 Ų138.831%0.30569%0.687SS.*  trans6299.4141.9-66.124.9000129.4P826 G827 Q828D247-P826 VanDerWaalsContact C-CG 3.48Å; D247-P826 WeakPolarHBondContact O-CD 3.4Å; D247-P826 WeakPolarHBondContact O-CG 3.31Å; D247-G827 CarbonylContact C-O 3.58Å; D247-G827 WeakPolarHBondContact CA-O 3.47Å; D247-Q828 WeakPolarHBondContact OD1-CB 3.12Å; D247-Q828 PolarHBondContact OD1-OE1 2.86Å
248S29Very low28.2Very low61 Ų61135.5 Ų135.543%0.42768%0.681SS.*  110.582.8112.5-63.40000124.4P826 G827S248-P826 CarbonylContact C-O 3.52Å; S248-G827 VanDerWaalsContact CA-O 3.3Å; S248-G827 WeakPolarHBondContact CA-O 3.39Å; S248-G827 PolarHBondContact N-O 3.3Å; S248-G827 PolarHBondContact OG-O 3.18Å
249I29.8Very low28.1Very low131 Ų131135.9 Ų135.967%0.67268%0.682SS**  68113.4127.2-59.3159.4000119.7P826I249-P826 PolarHBondContact N-O 2.76Å
250G25.7Very low29Very low66 Ų66132.9 Ų132.968%0.6867%0.673SS**  120.4103.6108.900000122.4
251R28.9Very low28.9Very low227 Ų227130.6 Ų130.686%0.85768%0.675SS**  78.8131121.7-165.6171.1-170.9177.43.6122.6
252D24.1Very low29Very low118 Ų118127.9 Ų127.963%0.63167%0.672SS**  trans37.9108.3153.3-51.8-14.5000121.9
253N22.3Very low29.1Very low161 Ų161125.5 Ų125.586%0.86168%0.675SS**  29.5156.2120.9-1089.5000122.5
254P53.9Low29.2Very low97 Ų97125.9 Ų125.963%0.6369%0.685SS**  -112.8-169.4-12844.4-37.8000113.3
255L26.3Very low29.2Very low144 Ų144125.1 Ų125.175%0.75469%0.686SS**  trans-174.5166.7132-106.8174.4000115.2
256H25.3Very low29.3Very low158 Ų158128.9 Ų128.973%0.73170%0.702SS**  trans95.5160.8147.7-117.4-98.1000121.5
257L29Very low29.1Very low137 Ų137123.7 Ų123.772%0.71770%0.702SS**  trans-126143.9-147.3-158.481.2000113.7
258S27Very low29.3Very low84 Ų84126.9 Ų126.959%0.58773%0.729SS**  trans74.3132.3148.565.10000122.5
259H25.1Very low29.3Very low177 Ų177129.2 Ų129.282%0.81975%0.745SS**  trans70.4157.9157.3-60.9-57.6000119.8
260P43.4Very low29.2Very low112 Ų112127.2 Ų127.273%0.72774%0.742SS**  cis-135.6178.3-35.738.2-22.8000113.5
261S26Very low29.2Very low113 Ų113131.2 Ų131.279%0.7975%0.747SS**  trans178.8126.1143-81.10000115.9
262E27.1Very low29Very low165 Ų165125.7 Ų125.777%0.77174%0.743SS**  trans51.7121.9133.1-55.1-52.491.200126.3
263S25.8Very low29Very low108 Ų108131 Ų13176%0.75576%0.756SS**  trans68.8157.6138.575.70000120.5
264S29.1Very low29.1Very low105 Ų105127.2 Ų127.273%0.73475%0.747SS**  cis-167.9155.4-27.1-85.70000106.2
265L28.8Very low27.8Very low146 Ų146127.2 Ų127.276%0.76475%0.749SS**  -163.9140.751.4-80.4169.1000112.2
266L33.9Very low27.7Very low168 Ų168127 Ų12788%0.8875%0.749SS**  trans52.2133.7142.6-50.8175.9000122
267G25.7Very low27.7Very low62 Ų62126.2 Ų126.264%0.63975%0.749SS**  cis160.6160.7-9.800000115.4
268S28.8Very low27.5Very low125 Ų125125.3 Ų125.387%0.87475%0.745SS**  trans76.4148.7177.2-30.50000115.7
269S28.3Very low27.6Very low109 Ų109128.1 Ų128.176%0.76275%0.749SS**  cis-177.5163.6-14.6-97.80000109
270S27.7Very low27.5Very low89 Ų89126.2 Ų126.262%0.62275%0.75SS**  cis-176.2158.3-19.852.20000111.8
271I26.9Very low26.7Very low151 Ų151124.3 Ų124.377%0.77475%0.75SS**  trans61102.915758.7169.7000123.9
272S23.5Very low26.6Very low111 Ų111126 Ų12678%0.77675%0.746SS**  56.2133.2104.5-48.20000126.1
273Y24.6Very low26.4Very low229 Ų229127.5 Ų127.590%0.89875%0.745SS**  trans94.5162.3133.8-131-98.4000122.2
274A25.6Very low26.3Very low82 Ų82127.2 Ų127.268%0.67874%0.738SS**  trans90.199.8163.400000121
275S24.8Very low26Very low97 Ų97129.8 Ų129.868%0.67874%0.741SS**  21.6158.8124.5-44.70000125.6
276D24.9Very low25.8Very low139 Ų139129.2 Ų129.274%0.74374%0.738SS**  trans96.6109.6139.3-76.9-36.4000123
277L26.1Very low25.3Very low141 Ų141125.8 Ų125.874%0.73873%0.725SS**  76.5126.4110-139.379.1000122.6
278D25.1Very low25.4Very low119 Ų119130.7 Ų130.764%0.63673%0.731SS**  trans76112.4139-90.7-15000125.3
279Q27.6Very low25.2Very low142 Ų142129.3 Ų129.366%0.66472%0.721SS**  90.6116.6102.6-150.3166.4123.900123
280T24.7Very low25.2Very low138 Ų138129.9 Ų129.985%0.84772%0.72SS**  trans71164.7145.4570000122.5
281G26.5Very low25.2Very low71 Ų71132 Ų13273%0.73273%0.729SS**  trans11279.8178.600000111.7
282E22.9Very low25.2Very low148 Ų148129.4 Ų129.469%0.69273%0.73SS**  43.1119.373.2-101.3-140.8134.500115.3
283R23.6Very low25.4Very low198 Ų198131.2 Ų131.275%0.74772%0.724SS**  trans71.1156.8149.3-63.5-167.4-162-145.11.2116.6
284T22.2Very low25.6Very low102 Ų102124.5 Ų124.563%0.62671%0.707SS**  cis-164.6154-4.112.20000112.6
285M24.6Very low25.6Very low159 Ų159128 Ų12878%0.78371%0.709SS**  trans69.1156.6145.1-49-105.9-169.900121.9
286D22.8Very low25.8Very low134 Ų134127.2 Ų127.272%0.71771%0.709SS**  trans76.4116.2152.6-65.9-46.3000121.5
287T24.6Very low26.2Very low96 Ų96128.7 Ų128.759%0.58971%0.712SS**  91.4116.155.8-60.40000109.3
288H27.3Very low26.4Very low165 Ų165128.1 Ų128.176%0.76471%0.709SS**  -161.4142.881.1-90.5-81.7000114.8
289S25.8Very low26.4Very low95 Ų95131.1 Ų131.166%0.66472%0.717SS**  45.1143.6128.1-430000121.3
290T28Very low26.4Very low121 Ų121128.9 Ų128.974%0.74272%0.717SS**  cis-161.4151.246.137.30000113.4
291T27Very low26.5Very low135 Ų135128.2 Ų128.283%0.82871%0.713SS**  trans38.8140148.858.80000121.7
292A27.9Very low26.7Very low96 Ų96129.6 Ų129.679%0.79371%0.711SS**  cis-171-169-8.200000106.3
293K26.8Very low27Very low148 Ų148128.9 Ų128.964%0.64371%0.712SS**  cis-154.1153.1-1-156.9-153.2155.7-111.40106.6E295K293-E295 IonicContact NZ-OE1 2.75Å; K293-E295 PolarHBondContact NZ-OE1 3.44Å; K293-E295 IonicContact NZ-OE2 3.03Å; K293-E295 PolarHBondContact NZ-OE2 2.87Å
294T27.9Very low27.4Very low88 Ų88125 Ų12554%0.5471%0.706SS.*  trans17.9164141.461.60000124.1
295E26.2Very low27.8Very low155 Ų155130 Ų13072%0.72472%0.715SS**  cis-162.2159.37.5-97.2118.1-165.800105.7K293K293-E295 IonicContact NZ-OE1 2.75Å; K293-E295 PolarHBondContact NZ-OE1 3.44Å; K293-E295 IonicContact NZ-OE2 3.03Å; K293-E295 PolarHBondContact NZ-OE2 2.87Å
296A29.8Very low28.1Very low82 Ų82126.4 Ų126.468%0.67871%0.706SS**  cis-172140.9-32.400000110.7
297E33.8Very low28.3Very low170 Ų170127.7 Ų127.779%0.79471%0.712SS**  trans59.4159.5156.8-52.5-45.989.800126.3
298D28.8Very low28.5Very low128 Ų128126.1 Ų126.168%0.68472%0.715SS**  trans77.698.8147.6-68.2-6.1000126.8
299F25.8Very low28.5Very low183 Ų183123.6 Ų123.680%0.80372%0.716SS**  51128.4116.7-72.1-64.1000126.7
300S27.5Very low28.6Very low95 Ų95124.5 Ų124.566%0.66472%0.723SS**  86.5113.1123.2-68.50000125.7
301T27.1Very low28.9Very low123 Ų123125.1 Ų125.176%0.75573%0.727SS**  87150.5122.4-53.10000122.2
302S30.6Very low29.6Very low101 Ų101124.1 Ų124.171%0.70672%0.722SS**  trans81.4150162.876.10000119.7
303D28.4Very low29.5Very low133 Ų133125.5 Ų125.571%0.71173%0.725SS**  cis-170.9162.8-25.3-103.7-26.2000114.6
304N31.9Very low29.5Very low116 Ų116124.7 Ų124.762%0.6273%0.733SS**  trans72.1126.7142.1-73.2-29.3000126.8
305Y31.1Very low30Very low207 Ų207125.8 Ų125.881%0.81274%0.741SS**  trans51.3154.5140.8-61.7-61.5000122.2
306S31.2Very low29.9Very low84 Ų84123.5 Ų123.559%0.58774%0.742SS**  cis-174.5168.8-4.9-104.40000109.4
307D26.6Very low29.6Very low160 Ų160127.9 Ų127.986%0.85675%0.751SS**  cis-138-99.5-10.9-82.5-34.4000113.4
308G28.9Very low29.3Very low63 Ų63126 Ų12665%0.64975%0.751SS**  cis-158.8-3.27.800000119.5
309S26.5Very low29.2Very low112 Ų112124.9 Ų124.978%0.78375%0.753SS**  trans76.4156.1168.588.80000123.6
310S28.2Very low29.2Very low115 Ų115123.8 Ų123.880%0.80476%0.756SS**  trans95.8144.9146.3-59.20000123.4
311T34.4Very low29.4Very low134 Ų134126 Ų12682%0.82277%0.765SS**  trans-107.1165.8-172.5-16.90000112.2
312P43.1Very low29.9Very low113 Ų113125.9 Ų125.973%0.73477%0.766SS**  -159.4166.996.541-21.3000119.6
313C24.8Very low29.9Very low126 Ų126128.6 Ų128.685%0.85177%0.768SS**  trans72.7161.4146.3-74.50000124.3
314T27.5Very low29.9Very low131 Ų131130.3 Ų130.380%0.80477%0.773SS**  trans-106.8-179.5-171.450.20000110.6
315P37.5Very low29.8Very low110 Ų110129.6 Ų129.671%0.71478%0.777SS**  cis-148.1-156.321.844.3-21000117.2
316S23.4Very low30.5Very low107 Ų107124.9 Ų124.975%0.74877%0.772SS**  trans92.8101.5157.7-65.40000121.1
317M25.4Very low30.4Very low175 Ų175129.8 Ų129.886%0.86279%0.786SS**  trans19.4132.2137.5-58.9-62.793.300121.8
318T25.8Very low30.5Very low130 Ų130125.9 Ų125.980%0.79878%0.783SS**  trans-74.3143.3163.752.10000113.5
319S27.7Very low30.6Very low105 Ų105132 Ų13273%0.73479%0.792SS**  161135.9112.6610000112.7
320D25.6Very low30.7Very low159 Ų159134 Ų13485%0.8579%0.793SS**  trans-171.8127.6140.2-104.8-28000112.6
321V30.9Very low30.8Very low141 Ų141139.7 Ų139.786%0.85580%0.797SS**  trans-148.8137.9164.1177.20000106.4
322P38.9Very low30.4Very low121 Ų121138.1 Ų138.179%0.78679%0.791SS**  trans-100.9-173.7-143.139.5-39.5000117.6
323Q29.5Very low29.9Very low159 Ų159140.7 Ų140.774%0.74380%0.798SS**  trans-55163.8177.6-51.7177.3-31.100113.8
324M28.1Very low30.2Very low168 Ų168141.4 Ų141.483%0.82879%0.794SS**  -160.416475-86.7-63.617600115.5
325S30Very low30.6Very low101 Ų101146.6 Ų146.671%0.70680%0.798SS**  trans-98.3171.8171.1-146.20000110.8
326P47.2Very low30.4Very low109 Ų109148.9 Ų148.971%0.70881%0.805SS**  -145.1-176.869.234.1-12.6000113.9
327E28Very low30.7Very low187 Ų187147 Ų14787%0.87480%0.802SS**  cis-160.7154.9-29.9-101.3178.8118.900107.7
328G29.3Very low31.1Very low77 Ų77144.9 Ų144.979%0.79480%0.804SS**  trans-158.213.1-16500000122.4
329K30.5Very low31.4Very low193 Ų193141.7 Ų141.784%0.83980%0.798SS**  trans61.4106.7168.8-81.6177.2171.81660121.4
330L29.3Very low31.6Very low153 Ų153144.2 Ų144.280%0.80181%0.809SS**  85.7147.8126.6-64.4171.1000123.2
331R30.2Very low31.8Very low235 Ų235140.6 Ų140.689%0.88781%0.809SS**  trans70.3104.5178.9-48.2-66.7-165.1179.64.7113.7
332S26.4Very low31.9Very low101 Ų101137.4 Ų137.471%0.70681%0.805SS**  cis78.8106.331.6-168.20000115.7
333L31.4Very low31.6Very low166 Ų166138.1 Ų138.187%0.86981%0.807SS**  -165.2141.6106.1-153.272.2000111.8
334D31.7Very low31.9Very low142 Ų142136.3 Ų136.376%0.75981%0.812SS**  trans-91.2171.4-178.9-49.9-100.4000113.6
335R35Very low32.1Very low239 Ų239132.2 Ų132.290%0.90281%0.813SS**  167.8151.1104.2-163.9164.9-173.9-164.70.5114.2
336N33.9Very low32.2Very low159 Ų159131.2 Ų131.285%0.8582%0.819SS**  trans-75.4158.4-178.9-54.9-7.2000114.7
337G30.9Very low31.5Very low68 Ų68130.5 Ų130.570%0.70183%0.831SS**  124.2126.4110.500000120
338S33.3Very low31.8Very low129 Ų129124.8 Ų124.890%0.90282%0.822SS**  trans61.4105.9143.5-55.30000121.8
339G32.1Very low32.3Very low64 Ų64126.4 Ų126.466%0.6682%0.821SS**  96.1130.7102.700000120.6
340T31.4Very low33Very low158 Ų158125.6 Ų125.697%0.96983%0.825SS**  trans71.1157.5162.172.20000118.5
341G30.1Very low34.2Very low82 Ų82126.8 Ų126.885%0.84582%0.824SS**  trans100.6101.3-179.300000113.2
342G32Very low35.4Very low75 Ų75125.7 Ų125.777%0.77383%0.825SS**  trans-114.1128.5178.600000112.8
343T33.9Very low37.1Very low136 Ų136124 Ų12483%0.83482%0.824SS**  trans-161.3145.4160.124.70000110.3
344S34.5Very low39.3Very low121 Ų121123 Ų12385%0.84681%0.809SS**  trans52.3113.7157.858.50000120.9
345G32.2Very low41.6Very low82 Ų82119 Ų11985%0.84579%0.789SS**  trans114.3131.3134.100000119.8
346G33Very low43.8Very low80 Ų80112.7 Ų112.783%0.82577%0.768SS**  trans81.174.9143.100000119.6G348G346-G348 VanDerWaalsContact C-N 3.32Å; G346-G348 PolarHBondContact O-N 3.39Å
347G32Very low46.3Very low94 Ų94105.1 Ų105.197%0.96973%0.728SS**  trans-71.567.8172.500000115.6
348G35.1Very low48.6Very low66 Ų66108.7 Ų108.768%0.6873%0.731SS**  trans-91.1102.7-178.600000114.9G346 L350G346-G348 VanDerWaalsContact C-N 3.32Å; G346-G348 PolarHBondContact O-N 3.39Å; G348-L350 PolarHBondContact O-N 2.97Å
349S39.8Very low50.2Low111 Ų111105 Ų10578%0.77671%0.709SS**  trans-72.7111.9178.2-174.70000113K351S349-K351 PolarHBondContact O-N 3.4Å
350L45.5Very low52.4Low176 Ų176104.2 Ų104.292%0.92169%0.692SS**  trans-72.9109.6-176.9-75.3171.4000112.9G348G348-L350 PolarHBondContact O-N 2.97Å
351K52.8Low54.7Low179 Ų179104 Ų10478%0.77868%0.68SS**PPolyproline II helixtrans-89.2140.5173.2-68178.5179.9176.10111.4S349 G353S349-K351 PolarHBondContact O-N 3.4Å; K351-G353 PolarHBondContact O-N 3.21Å
352K55.5Low57.1Low211 Ų211106.3 Ų106.392%0.91767%0.667SS**PPolyproline II helixtrans-52.5129.9173.1-159.3160.4-175.3167.80109.9
353G62.4Low59.6Low65 Ų65106.4 Ų106.467%0.6765%0.653SS**PPolyproline II helixtrans-63.6134.6-15600000116K351K351-G353 PolarHBondContact O-N 3.21Å
354R78.4Confident62.1Low147 Ų147101.8 Ų101.856%0.55562%0.621SS**PPolyproline II helixtrans-85.9137.2165.4-74.1179.7-74.2-176.3-1109.6F364R354-F364 CarbonylContact C-O 3.6Å; R354-F364 WeakPolarHBondContact CA-O 3.46Å; R354-F364 WeakPolarHBondContact CB-O 3.35Å
355V79.9Confident64.5Low58 Ų58105.4 Ų105.435%0.35262%0.618SS.*EExtended strand (participates in β ladder)trans-95.8118.8-177.6-158.90000108.9F364 L370V355-F364 PolarHBondContact N-O 3Å; V355-F364 WeakPolarHBondContact O-CA 3.25Å; V355-F364 WeakPolarHBondContact O-CB 3.49Å; V355-F364 PolarHBondContact O-N 2.89Å; V355-L370 HydrophobicContact CB-CD2 4.13Å; V355-L370 HydrophobicContact CG1-CD2 3.5Å; V355-L370 VanDerWaalsContact CG1-CD2 3.5Å
356F82Confident67.1Low105 Ų105104.8 Ų104.846%0.46160%0.595SS.*EExtended strand (participates in β ladder)trans-99.2159.6-177.163.4-88.1000113.1K362 T363 L370F356-K362 CarbonylContact C-O 3.47Å; F356-K362 VanDerWaalsContact CA-O 3.29Å; F356-K362 WeakPolarHBondContact CA-O 3.49Å; F356-T363 HydrophobicContact CB-CG2 4.23Å; F356-L370 WeakPolarHBondContact O-CD2 3.46Å
357C85Confident69.5Low1 Ų1108.9 Ų108.91%0.00759%0.59CS.*  trans-84.8111.9175.9-177.20000111.2A359 C360 E361 K362 F364 L370 H373C357-A359 PolarHBondContact O-N 2.87Å; C357-C360 PolarHBondContact O-N 3.09Å; C357-E361 VanDerWaalsContact O-CA 3.22Å; C357-E361 WeakPolarHBondContact O-CA 3.39Å; C357-E361 PolarHBondContact O-N 3Å; C357-K362 PolarHBondContact N-O 3.45Å; C357-F364 HydrophobicContact CB-CE2 4.07Å; C357-L370 VanDerWaalsContact CA-CD1 3.5Å; C357-L370 HydrophobicContact CB-CD1 3.5Å; C357-H373 PolarHBondContact SG-NE2 3.45Å; C357-H373 VanDerWaalsContact SG-NE2 3.38Å
358N78.8Confident72.2Confident143 Ų143106.1 Ų106.177%0.76556%0.562SS**THydrogen-bonded Turntrans-59-5.9177.2-62.276.1000115.3
359A68.1Low74.5Confident52 Ų52105.7 Ų105.743%0.4355%0.546SS..THydrogen-bonded Turntrans-113.8-4.4-179.800000115.2C357 Y374 H378C357-A359 PolarHBondContact O-N 2.87Å; A359-Y374 HydrophobicContact CB-CE2 3.95Å; A359-H378 HydrophobicContact CB-CB 4.46Å; A359-H378 WeakPolarHBondContact CB-ND1 3.16Å; A359-H378 PolarHBondContact O-CE1 2.91Å
360C78.4Confident76.8Confident47 Ų47101.6 Ų101.632%0.31852%0.515SS..THydrogen-bonded Turntrans-156.416.9165.470.20000114.9C357 K362 H373 H378C357-C360 PolarHBondContact O-N 3.09Å; C360-K362 PolarHBondContact O-N 3.39Å; C360-H373 VanDerWaalsContact SG-CE1 3.56Å; C360-H373 PolarHBondContact SG-NE2 3.19Å; C360-H378 PolarHBondContact SG-NE2 3.04Å
361E80.1Confident78.5Confident154 Ų154100 Ų10072%0.7250%0.501SS*.  trans58.82.6171.2-64.7170.7-17800117.2C357 T363C357-E361 VanDerWaalsContact O-CA 3.22Å; C357-E361 WeakPolarHBondContact O-CA 3.39Å; C357-E361 PolarHBondContact O-N 3Å; E361-T363 PolarHBondContact O-N 3.33Å
362K80.4Confident79.9Confident129 Ų12997.1 Ų97.156%0.56149%0.493SS*.  trans-59.5124.3174.8-66.1-179.6-173.6-176.50110.7F356 C357 C360 F364F356-K362 CarbonylContact C-O 3.47Å; F356-K362 VanDerWaalsContact CA-O 3.29Å; F356-K362 WeakPolarHBondContact CA-O 3.49Å; C357-K362 PolarHBondContact N-O 3.45Å; C360-K362 PolarHBondContact O-N 3.39Å; K362-F364 HydrophobicContact CB-CE2 3.73Å; K362-F364 HydrophobicContact CB-CZ 3.97Å; K362-F364 WeakPolarHBondContact O-CD2 3.23Å; K362-F364 WeakPolarHBondContact O-CE2 3.47Å
363T83.8Confident81.3Confident78 Ų7888.3 Ų88.348%0.47945%0.454SS..EExtended strand (participates in β ladder)trans-79130175.658.80000111.1F356 E361F356-T363 HydrophobicContact CB-CG2 4.23Å; E361-T363 PolarHBondContact O-N 3.33Å
364F85.6Confident82.2Confident39 Ų3989.8 Ų89.817%0.17144%0.441CS..EExtended strand (participates in β ladder)trans-112.8156.7173.1-63.2-88.1000110.4R354 V355 C357 K362 D366 L370 H373R354-F364 CarbonylContact C-O 3.6Å; R354-F364 WeakPolarHBondContact CA-O 3.46Å; R354-F364 WeakPolarHBondContact CB-O 3.35Å; V355-F364 PolarHBondContact N-O 3Å; V355-F364 WeakPolarHBondContact O-CA 3.25Å; V355-F364 WeakPolarHBondContact O-CB 3.49Å; V355-F364 PolarHBondContact O-N 2.89Å; C357-F364 HydrophobicContact CB-CE2 4.07Å; K362-F364 HydrophobicContact CB-CE2 3.73Å; K362-F364 HydrophobicContact CB-CZ 3.97Å; K362-F364 WeakPolarHBondContact O-CD2 3.23Å; K362-F364 WeakPolarHBondContact O-CE2 3.47Å; F364-D366 VanDerWaalsContact C-N 3.31Å; F364-L370 HydrophobicContact CB-CB 4.11Å; F364-L370 HydrophobicContact CD2-CB 3.98Å; F364-L370 HydrophobicContact CD2-CD1 3.78Å; F364-L370 HydrophobicContact CD2-CG 4.43Å; F364-L370 HydrophobicContact CE2-CD1 4.01Å; F364-L370 HydrophobicContact CG-CB 4.09Å; F364-H373 HydrophobicContact CE1-CB 3.81Å; F364-H373 HydrophobicContact CE2-CB 4.19Å; F364-H373 AromaticContact CE2-CD2 3.39Å; F364-H373 WeakPolarHBondContact CE2-CD2 3.37Å; F364-H373 AromaticContact CE2-CG 3.81Å; F364-H373 HydrophobicContact CZ-CB 3.54Å; F364-H373 AromaticContact CZ-CD2 3.34Å; F364-H373 WeakPolarHBondContact CZ-CD2 3.17Å; F364-H373 AromaticContact CZ-CG 3.26Å; F364-H373 AromaticContact CZ-ND1 3.88Å; F364-H373 AromaticContact CZ-NE2 4Å
365Y85.8Confident81.8Confident197 Ų19786.6 Ų86.677%0.77343%0.434SS*.SBendtrans-78.1-19.4-179.8-64.4-77.4000112.7
366D86.9Confident81.4Confident68 Ų6887.3 Ų87.336%0.36445%0.446SS..SBendtrans-151.6160.7-175.572.2-71.2000111.9F364 G368 T369 L370F364-D366 VanDerWaalsContact C-N 3.31Å; D366-G368 VanDerWaalsContact C-N 3.26Å; D366-G368 PolarHBondContact O-N 3.46Å; D366-G368 WeakPolarHBondContact OD2-CA 3.45Å; D366-G368 PolarHBondContact OD2-N 3.29Å; D366-T369 PolarHBondContact O-OG1 2.91Å; D366-T369 VanDerWaalsContact OD1-CB 3.31Å; D366-T369 WeakPolarHBondContact OD1-CB 3.38Å; D366-T369 WeakPolarHBondContact OD1-CG2 3.45Å; D366-T369 PolarHBondContact OD1-OG1 3.41Å; D366-T369 PolarHBondContact OD2-N 3.08Å; D366-L370 PolarHBondContact O-N 3.02Å
367K84Confident80.6Confident167 Ų16786.2 Ų86.273%0.72645%0.448SS*.Hα-helixtrans-70.1-20.3179.7-167175.4-179.9179.10113.1K371K367-K371 WeakPolarHBondContact O-CB 3.33Å; K367-K371 PolarHBondContact O-N 3.06Å; K367-K371 VanDerWaalsContact O-N 3.12Å
368G87.6Confident79.9Confident36 Ų3688.7 Ų88.737%0.37146%0.459SS..Hα-helixtrans-75.6-52179.100000112.7D366 L370 K371 I372D366-G368 VanDerWaalsContact C-N 3.26Å; D366-G368 PolarHBondContact O-N 3.46Å; D366-G368 WeakPolarHBondContact OD2-CA 3.45Å; D366-G368 PolarHBondContact OD2-N 3.29Å; G368-L370 VanDerWaalsContact C-N 3.28Å; G368-L370 PolarHBondContact O-N 3.47Å; G368-K371 WeakPolarHBondContact O-CB 2.87Å; G368-K371 PolarHBondContact O-N 3.07Å; G368-I372 WeakPolarHBondContact O-CG1 3.22Å; G368-I372 PolarHBondContact O-N 2.82Å
369T84.4Confident79.3Confident57 Ų5786.4 Ų86.435%0.3545%0.447SS..Hα-helixtrans-63.2-35.1175.459.10000111.9D366 I372 H373D366-T369 PolarHBondContact O-OG1 2.91Å; D366-T369 VanDerWaalsContact OD1-CB 3.31Å; D366-T369 WeakPolarHBondContact OD1-CB 3.38Å; D366-T369 WeakPolarHBondContact OD1-CG2 3.45Å; D366-T369 PolarHBondContact OD1-OG1 3.41Å; D366-T369 PolarHBondContact OD2-N 3.08Å; T369-I372 PolarHBondContact O-N 3.24Å; T369-H373 WeakPolarHBondContact O-CB 3.43Å; T369-H373 PolarHBondContact O-N 3.1Å
370L86.3Confident78.7Confident24 Ų2491.5 Ų91.513%0.12646%0.459CS..Hα-helixtrans-58.1-47.7168.1171.857.1000111.9V355 F356 C357 F364 D366 G368 I372 H373 Y374V355-L370 HydrophobicContact CB-CD2 4.13Å; V355-L370 HydrophobicContact CG1-CD2 3.5Å; V355-L370 VanDerWaalsContact CG1-CD2 3.5Å; F356-L370 WeakPolarHBondContact O-CD2 3.46Å; C357-L370 VanDerWaalsContact CA-CD1 3.5Å; C357-L370 HydrophobicContact CB-CD1 3.5Å; F364-L370 HydrophobicContact CB-CB 4.11Å; F364-L370 HydrophobicContact CD2-CB 3.98Å; F364-L370 HydrophobicContact CD2-CD1 3.78Å; F364-L370 HydrophobicContact CD2-CG 4.43Å; F364-L370 HydrophobicContact CE2-CD1 4.01Å; F364-L370 HydrophobicContact CG-CB 4.09Å; D366-L370 PolarHBondContact O-N 3.02Å; G368-L370 VanDerWaalsContact C-N 3.28Å; G368-L370 PolarHBondContact O-N 3.47Å; L370-I372 VanDerWaalsContact C-N 3.34Å; L370-I372 PolarHBondContact O-N 3.33Å; L370-H373 PolarHBondContact O-N 2.99Å; L370-Y374 WeakPolarHBondContact O-CB 3.46Å; L370-Y374 PolarHBondContact O-N 3.34Å
371K82.5Confident77.7Confident143 Ų14394 Ų9462%0.62247%0.469SS*.Hα-helixtrans-63-39.3178.2-169.3174.7-177.4179.10112.1K367 G368 Y374 N375K367-K371 WeakPolarHBondContact O-CB 3.33Å; K367-K371 PolarHBondContact O-N 3.06Å; K367-K371 VanDerWaalsContact O-N 3.12Å; G368-K371 WeakPolarHBondContact O-CB 2.87Å; G368-K371 PolarHBondContact O-N 3.07Å; K371-Y374 PolarHBondContact O-N 3.43Å; K371-N375 VanDerWaalsContact O-CB 3.31Å; K371-N375 WeakPolarHBondContact O-CB 3.4Å; K371-N375 PolarHBondContact O-N 3.35Å; K371-N375 PolarHBondContact O-OD1 3.34Å
372I81.9Confident76.9Confident119 Ų11994.7 Ų94.761%0.6147%0.469SS*.Hα-helixtrans-62.4-46174.1-66.2166.2000110.6G368 T369 L370 A376G368-I372 WeakPolarHBondContact O-CG1 3.22Å; G368-I372 PolarHBondContact O-N 2.82Å; T369-I372 PolarHBondContact O-N 3.24Å; L370-I372 VanDerWaalsContact C-N 3.34Å; L370-I372 PolarHBondContact O-N 3.33Å; I372-A376 VanDerWaalsContact O-CB 3.29Å; I372-A376 WeakPolarHBondContact O-CB 3.31Å; I372-A376 PolarHBondContact O-N 3.43Å
373H84.7Confident76.4Confident25 Ų2590.3 Ų90.312%0.11645%0.451CS..Hα-helixtrans-62-46.9176.4162.365.4000112.4C357 C360 F364 T369 L370 N375 A376 V377 H378C357-H373 PolarHBondContact SG-NE2 3.45Å; C357-H373 VanDerWaalsContact SG-NE2 3.38Å; C360-H373 VanDerWaalsContact SG-CE1 3.56Å; C360-H373 PolarHBondContact SG-NE2 3.19Å; F364-H373 HydrophobicContact CE1-CB 3.81Å; F364-H373 HydrophobicContact CE2-CB 4.19Å; F364-H373 AromaticContact CE2-CD2 3.39Å; F364-H373 WeakPolarHBondContact CE2-CD2 3.37Å; F364-H373 AromaticContact CE2-CG 3.81Å; F364-H373 HydrophobicContact CZ-CB 3.54Å; F364-H373 AromaticContact CZ-CD2 3.34Å; F364-H373 WeakPolarHBondContact CZ-CD2 3.17Å; F364-H373 AromaticContact CZ-CG 3.26Å; F364-H373 AromaticContact CZ-ND1 3.88Å; F364-H373 AromaticContact CZ-NE2 4Å; T369-H373 WeakPolarHBondContact O-CB 3.43Å; T369-H373 PolarHBondContact O-N 3.1Å; L370-H373 PolarHBondContact O-N 2.99Å; H373-N375 PolarHBondContact O-N 3.05Å; H373-A376 PolarHBondContact O-N 3.04Å; H373-V377 WeakPolarHBondContact O-CB 3.43Å; H373-V377 WeakPolarHBondContact O-CG2 3.27Å; H373-V377 PolarHBondContact O-N 3.24Å; H373-H378 AromaticContact CE1-NE2 3.77Å; H373-H378 AromaticContact NE2-CD2 3.68Å; H373-H378 AromaticContact NE2-NE2 3.5Å; H373-H378 PolarHBondContact NE2-NE2 2.97Å
374Y81.8Confident75.8Confident97 Ų9793.9 Ų93.938%0.3846%0.46SS..Hα-helixtrans-63.4-42.6179.8-165.8-106.1000111.6A359 L370 K371 A376 H378 L379A359-Y374 HydrophobicContact CB-CE2 3.95Å; L370-Y374 WeakPolarHBondContact O-CB 3.46Å; L370-Y374 PolarHBondContact O-N 3.34Å; K371-Y374 PolarHBondContact O-N 3.43Å; Y374-A376 PolarHBondContact O-N 2.98Å; Y374-H378 HydrophobicContact CD2-CB 3.62Å; Y374-H378 AromaticContact CD2-CD2 3.97Å; Y374-H378 AromaticContact CD2-CG 3.97Å; Y374-H378 HydrophobicContact CE2-CB 3.59Å; Y374-H378 HydrophobicContact CG-CB 4.24Å; Y374-H378 WeakPolarHBondContact O-CA 3.47Å; Y374-H378 PolarHBondContact O-N 2.96Å; Y374-L379 HydrophobicContact CD1-CD1 3.54Å; Y374-L379 HydrophobicContact CD1-CG 3.78Å; Y374-L379 HydrophobicContact CE1-CD1 3.78Å; Y374-L379 HydrophobicContact CE1-CD2 4.1Å; Y374-L379 HydrophobicContact CE1-CG 3.66Å; Y374-L379 PolarHBondContact O-N 2.98Å
375N70.3Confident75.6Confident79 Ų7992.4 Ų92.442%0.42245%0.454SS..Hα-helixtrans-59.4-43.1172.3-758.1000112.6K371 H373 L379K371-N375 VanDerWaalsContact O-CB 3.31Å; K371-N375 WeakPolarHBondContact O-CB 3.4Å; K371-N375 PolarHBondContact O-N 3.35Å; K371-N375 PolarHBondContact O-OD1 3.34Å; H373-N375 PolarHBondContact O-N 3.05Å; N375-L379 VanDerWaalsContact OD1-CD1 3.25Å; N375-L379 WeakPolarHBondContact OD1-CD1 3.26Å
376A71.1Confident75.3Confident73 Ų7387 Ų8760%0.60344%0.442SS*.Hα-helixtrans-80.5-26.9-174.600000114.6I372 H373 Y374I372-A376 VanDerWaalsContact O-CB 3.29Å; I372-A376 WeakPolarHBondContact O-CB 3.31Å; I372-A376 PolarHBondContact O-N 3.43Å; H373-A376 PolarHBondContact O-N 3.04Å; Y374-A376 PolarHBondContact O-N 2.98Å
377V65.1Low74.9Confident83 Ų8386.6 Ų86.650%0.50344%0.439SS..Hα-helixtrans-113.1-40.8-171.7-178.70000112.8H373H373-V377 WeakPolarHBondContact O-CB 3.43Å; H373-V377 WeakPolarHBondContact O-CG2 3.27Å; H373-V377 PolarHBondContact O-N 3.24Å
378H69.8Low74.1Confident52 Ų5287.3 Ų87.324%0.24145%0.445CS..THydrogen-bonded Turntrans-107.3-38.5-166.8-66.3-76.1000113.8A359 C360 H373 Y374 K380A359-H378 HydrophobicContact CB-CB 4.46Å; A359-H378 WeakPolarHBondContact CB-ND1 3.16Å; A359-H378 PolarHBondContact O-CE1 2.91Å; C360-H378 PolarHBondContact SG-NE2 3.04Å; H373-H378 AromaticContact CE1-NE2 3.77Å; H373-H378 AromaticContact NE2-CD2 3.68Å; H373-H378 AromaticContact NE2-NE2 3.5Å; H373-H378 PolarHBondContact NE2-NE2 2.97Å; Y374-H378 HydrophobicContact CD2-CB 3.62Å; Y374-H378 AromaticContact CD2-CD2 3.97Å; Y374-H378 AromaticContact CD2-CG 3.97Å; Y374-H378 HydrophobicContact CE2-CB 3.59Å; Y374-H378 HydrophobicContact CG-CB 4.24Å; Y374-H378 WeakPolarHBondContact O-CA 3.47Å; Y374-H378 PolarHBondContact O-N 2.96Å; H378-K380 PolarHBondContact O-N 2.86Å
379L67.4Low73.2Confident95 Ų9588.2 Ų88.250%0.49745%0.454SS..SBendtrans-75.4-6.1176.2-76.4163.7000114.2Y374 N375 I381Y374-L379 HydrophobicContact CD1-CD1 3.54Å; Y374-L379 HydrophobicContact CD1-CG 3.78Å; Y374-L379 HydrophobicContact CE1-CD1 3.78Å; Y374-L379 HydrophobicContact CE1-CD2 4.1Å; Y374-L379 HydrophobicContact CE1-CG 3.66Å; Y374-L379 PolarHBondContact O-N 2.98Å; N375-L379 VanDerWaalsContact OD1-CD1 3.25Å; N375-L379 WeakPolarHBondContact OD1-CD1 3.26Å; L379-I381 VanDerWaalsContact C-N 3.26Å; L379-I381 PolarHBondContact O-N 3.37Å
380K55.4Low73Confident159 Ų15986 Ų8669%0.69144%0.441SS*.  trans49.437.8152-149.2170.9-169.2172.60115.6H378 K382H378-K380 PolarHBondContact O-N 2.86Å; K380-K382 PolarHBondContact O-N 3.06Å
381I57.4Low72.6Confident101 Ų10191.1 Ų91.152%0.51847%0.468SS..  trans-58.7112.4-175.9-55.7178.5000109.5L379 H383L379-I381 VanDerWaalsContact C-N 3.26Å; L379-I381 PolarHBondContact O-N 3.37Å; I381-H383 VanDerWaalsContact CG2-CE1 3.42Å; I381-H383 WeakPolarHBondContact CG2-CE1 3.17Å; I381-H383 PolarHBondContact O-CD2 3.45Å; I381-H383 PolarHBondContact O-N 3.46Å; I381-H383 VanDerWaalsContact O-N 3.12Å
382K62.3Low72.3Confident167 Ų16788.8 Ų88.873%0.72646%0.461SS*.  trans-79.690-178.5-86.4-176.7178.6-179.70110K380 K384 V393K380-K382 PolarHBondContact O-N 3.06Å; K382-K384 PolarHBondContact O-N 3.04Å; K382-V393 HydrophobicContact CB-CG1 3.51Å; K382-V393 HydrophobicContact CD-CG1 4.21Å; K382-V393 HydrophobicContact CG-CG1 3.8Å
383H70.6Confident71.9Confident38 Ų3886.6 Ų86.618%0.17645%0.453CS..EExtended strand (participates in β ladder)trans-77.891.7-179.6-61.4-77000110.8I381 F394 L397 R400I381-H383 VanDerWaalsContact CG2-CE1 3.42Å; I381-H383 WeakPolarHBondContact CG2-CE1 3.17Å; I381-H383 PolarHBondContact O-CD2 3.45Å; I381-H383 PolarHBondContact O-N 3.46Å; I381-H383 VanDerWaalsContact O-N 3.12Å; H383-F394 PolarHBondContact N-O 2.8Å; H383-F394 PolarHBondContact O-N 3.39Å; H383-L397 PolarHBondContact CD2-N 3.39Å; H383-L397 WeakPolarHBondContact ND1-CD1 3.26Å; H383-L397 PolarHBondContact NE2-N 3.38Å; H383-R400 HydrophobicContact CB-CB 3.97Å; H383-R400 HydrophobicContact CB-CG 4.39Å
384K71.8Confident71.4Confident153 Ų15387.4 Ų87.467%0.66546%0.456SS*.EExtended strand (participates in β ladder)trans-59.8149.817067.1166.1-172.7-98.80111.8K382 M392 V393 R400K382-K384 PolarHBondContact O-N 3.04Å; K384-M392 CarbonylContact C-O 3.6Å; K384-V393 HydrophobicContact CB-CG2 4.15Å; K384-R400 WeakPolarHBondContact O-CD 3.31Å; K384-R400 WeakPolarHBondContact O-CG 3.22Å
385C81Confident70.2Confident8 Ų887.8 Ų87.85%0.05447%0.473CS..  trans-58.1161.6172.3-161.10000111.6C390 M392 H403C385-C390 HydrophobicContact CB-CB 3.79Å; C385-C390 VanDerWaalsContact CB-SG 3.54Å; C385-M392 PolarHBondContact N-O 3.2Å; C385-H403 PolarHBondContact SG-CD2 3.34Å
386T78.8Confident70.1Confident84 Ų8486.5 Ų86.552%0.51547%0.47SS..SBendtrans-12127.9178.363.60000111.3S404T386-S404 WeakPolarHBondContact OG1-CB 3.44Å
387I78.1Confident70.3Confident59 Ų5986.9 Ų86.930%0.30346%0.461SS..SBendtrans-113.6130.4170.4-79.3177.3000106.5C390 S404 H412I387-C390 HydrophobicContact CB-CB 4.37Å; I387-C390 HydrophobicContact CG2-CB 4.41Å; I387-C390 VanDerWaalsContact O-CB 3.24Å; I387-C390 WeakPolarHBondContact O-CB 3.44Å; I387-C390 PolarHBondContact O-N 2.83Å; I387-S404 VanDerWaalsContact CD1-O 3.25Å; I387-S404 WeakPolarHBondContact CD1-O 3.42Å; I387-H412 WeakPolarHBondContact CD1-NE2 3.14Å; I387-H412 HydrophobicContact CG2-CB 4.26Å
388E67.6Low70.8Confident181 Ų18193 Ų9385%0.84648%0.476SS*.THydrogen-bonded Turntrans-58138.3-178.9-61.8-50.2127.200111.5C390E388-C390 VanDerWaalsContact C-N 3.26Å; E388-C390 PolarHBondContact O-N 2.9Å
389G69.6Low71Confident56 Ų5692.3 Ų92.358%0.57748%0.477SS*.THydrogen-bonded Turntrans78.5-9.3-17200000115.9N391G389-N391 PolarHBondContact O-N 2.82Å
390C80.6Confident71.6Confident9 Ų990.5 Ų90.56%0.06146%0.463CS..  trans-91.1100-177.7-171.40000113.9C385 I387 E388 M392 H403 H412C385-C390 HydrophobicContact CB-CB 3.79Å; C385-C390 VanDerWaalsContact CB-SG 3.54Å; I387-C390 HydrophobicContact CB-CB 4.37Å; I387-C390 HydrophobicContact CG2-CB 4.41Å; I387-C390 VanDerWaalsContact O-CB 3.24Å; I387-C390 WeakPolarHBondContact O-CB 3.44Å; I387-C390 PolarHBondContact O-N 2.83Å; E388-C390 VanDerWaalsContact C-N 3.26Å; E388-C390 PolarHBondContact O-N 2.9Å; C390-M392 PolarHBondContact O-N 2.82Å; C390-H403 PolarHBondContact SG-NE2 2.85Å; C390-H412 WeakPolarHBondContact CA-O 3.47Å; C390-H412 HydrophobicContact CB-CB 3.9Å; C390-H412 PolarHBondContact SG-ND1 3.44Å
391N76.7Confident72.9Confident132 Ų13286.3 Ų86.371%0.70645%0.448SS*.  trans-79.110.9178.4-70.1-34.6000115G389G389-N391 PolarHBondContact O-N 2.82Å
392M75.6Confident74.1Confident95 Ų9590.6 Ų90.647%0.46846%0.458SS..  trans-77.6133.9-177.1-66.9-59.7-66.400112.7K384 C385 C390 F394 H403K384-M392 CarbonylContact C-O 3.6Å; C385-M392 PolarHBondContact N-O 3.2Å; C390-M392 PolarHBondContact O-N 2.82Å; M392-F394 HydrophobicContact CB-CE2 3.74Å; M392-F394 HydrophobicContact CB-CZ 3.87Å; M392-H403 WeakPolarHBondContact CB-NE2 3.45Å
393V74.1Confident75Confident73 Ų7383.8 Ų83.844%0.44243%0.429SS..EExtended strand (participates in β ladder)trans-124.8131.4-174.1-179.90000110.7K382 K384K382-V393 HydrophobicContact CB-CG1 3.51Å; K382-V393 HydrophobicContact CD-CG1 4.21Å; K382-V393 HydrophobicContact CG-CG1 3.8Å; K384-V393 HydrophobicContact CB-CG2 4.15Å
394F74.6Confident75.4Confident42 Ų4283.2 Ų83.218%0.18443%0.429CS..EExtended strand (participates in β ladder)trans-117.9144.2-172.3-59.9-87.8000112.6H383 M392 S396 R400 H403H383-F394 PolarHBondContact N-O 2.8Å; H383-F394 PolarHBondContact O-N 3.39Å; M392-F394 HydrophobicContact CB-CE2 3.74Å; M392-F394 HydrophobicContact CB-CZ 3.87Å; F394-S396 PolarHBondContact O-N 3.18Å; F394-R400 HydrophobicContact CB-CB 4.27Å; F394-R400 HydrophobicContact CD2-CB 4Å; F394-R400 HydrophobicContact CD2-CG 4.29Å; F394-R400 HydrophobicContact CG-CB 4.35Å; F394-H403 HydrophobicContact CE1-CB 4.42Å; F394-H403 HydrophobicContact CE2-CB 4.09Å; F394-H403 AromaticContact CE2-CD2 3.24Å; F394-H403 WeakPolarHBondContact CE2-CD2 3.39Å; F394-H403 AromaticContact CE2-CG 3.76Å; F394-H403 AromaticContact CE2-NE2 3.74Å; F394-H403 HydrophobicContact CZ-CB 3.81Å; F394-H403 AromaticContact CZ-CD2 3.36Å; F394-H403 WeakPolarHBondContact CZ-CD2 3.39Å; F394-H403 AromaticContact CZ-CE1 3.97Å; F394-H403 AromaticContact CZ-CG 3.45Å; F394-H403 VanDerWaalsContact CZ-CG 3.45Å; F394-H403 AromaticContact CZ-ND1 3.84Å; F394-H403 AromaticContact CZ-NE2 3.68Å
395S57Low75.8Confident104 Ų10479.8 Ų79.873%0.72743%0.429SS*.SBendtrans-74.61.4173.152.10000114.4
396S68.4Low75.5Confident53 Ų5382.1 Ų82.137%0.37144%0.441SS..SBendtrans-149.2137.4176.1-178.10000111.7F394 R398 S399 R400F394-S396 PolarHBondContact O-N 3.18Å; S396-R398 PolarHBondContact O-N 3.45Å; S396-R398 VanDerWaalsContact O-N 3.16Å; S396-R398 PolarHBondContact OG-N 3.08Å; S396-S399 PolarHBondContact O-N 2.87Å; S396-S399 PolarHBondContact O-OG 3.34Å; S396-R400 PolarHBondContact O-N 2.86Å
397L74.6Confident75.3Confident80 Ų8084 Ų8442%0.41946%0.455SS..Hα-helixtrans-53.7-33.9172.5-166.973.4000111.7H383 R400 N401H383-L397 PolarHBondContact CD2-N 3.39Å; H383-L397 WeakPolarHBondContact ND1-CD1 3.26Å; H383-L397 PolarHBondContact NE2-N 3.38Å; L397-R400 PolarHBondContact O-N 3.23Å; L397-N401 WeakPolarHBondContact O-CB 3.46Å; L397-N401 PolarHBondContact O-N 2.86Å; L397-N401 PolarHBondContact O-OD1 3.1Å; L397-N401 VanDerWaalsContact O-OD1 3.12Å
398R74.6Confident74.6Confident213 Ų21384.6 Ų84.680%0.80446%0.459SS*.Hα-helixtrans-75.7-30.2-176.4-149175.4-164.1171.45.8112.9S396 R402S396-R398 PolarHBondContact O-N 3.45Å; S396-R398 VanDerWaalsContact O-N 3.16Å; S396-R398 PolarHBondContact OG-N 3.08Å; R398-R402 PolarHBondContact O-N 3.45Å
399S74.2Confident74.4Confident37 Ų3780.2 Ų80.226%0.25945%0.446SS..Hα-helixtrans-78.4-38.1170.844.80000111.6S396 R402 H403S396-S399 PolarHBondContact O-N 2.87Å; S396-S399 PolarHBondContact O-OG 3.34Å; S399-R402 PolarHBondContact O-N 3.42Å; S399-H403 PolarHBondContact O-N 3.27Å
400R81.3Confident74.3Confident57 Ų5787.2 Ų87.222%0.21546%0.455CS..Hα-helixtrans-54.9-54.1169-175-156.362.1170.87111.3H383 K384 F394 S396 L397 R402 H403 S404H383-R400 HydrophobicContact CB-CB 3.97Å; H383-R400 HydrophobicContact CB-CG 4.39Å; K384-R400 WeakPolarHBondContact O-CD 3.31Å; K384-R400 WeakPolarHBondContact O-CG 3.22Å; F394-R400 HydrophobicContact CB-CB 4.27Å; F394-R400 HydrophobicContact CD2-CB 4Å; F394-R400 HydrophobicContact CD2-CG 4.29Å; F394-R400 HydrophobicContact CG-CB 4.35Å; S396-R400 PolarHBondContact O-N 2.86Å; L397-R400 PolarHBondContact O-N 3.23Å; R400-R402 VanDerWaalsContact C-N 3.25Å; R400-R402 PolarHBondContact O-N 3.34Å; R400-H403 CarbonylContact O-C 3.58Å; R400-H403 WeakPolarHBondContact O-CA 3.4Å; R400-H403 WeakPolarHBondContact O-CB 3.08Å; R400-H403 PolarHBondContact O-N 3.31Å; R400-S404 PolarHBondContact O-N 3.39Å; R400-S404 PolarHBondContact O-OG 2.95Å
401N81.4Confident73.8Confident71 Ų7190.7 Ų90.738%0.3847%0.472SS..Hα-helixtrans-62.4-31.8-175.2-69.17.3000112.5L397 H403 A405L397-N401 WeakPolarHBondContact O-CB 3.46Å; L397-N401 PolarHBondContact O-N 2.86Å; L397-N401 PolarHBondContact O-OD1 3.1Å; L397-N401 VanDerWaalsContact O-OD1 3.12Å; N401-H403 VanDerWaalsContact C-N 3.29Å; N401-H403 PolarHBondContact O-N 3.1Å; N401-A405 WeakPolarHBondContact O-CB 3.36Å; N401-A405 PolarHBondContact O-N 2.81Å; N401-A405 VanDerWaalsContact O-N 3.07Å
402R82.8Confident73.7Confident190 Ų19085.1 Ų85.172%0.71744%0.442SS*.Hα-helixtrans-69.9-23.8171.6-83.5-175.461.2-99.3-3.7114.1R398 S399 R400R398-R402 PolarHBondContact O-N 3.45Å; S399-R402 PolarHBondContact O-N 3.42Å; R400-R402 VanDerWaalsContact C-N 3.25Å; R400-R402 PolarHBondContact O-N 3.34Å
403H81.5Confident73.5Confident24 Ų2486.5 Ų86.511%0.11145%0.449CS..Hα-helixtrans-89.1-45.4-179.7172.478.1000110.7C385 C390 M392 F394 S399 R400 N401 A405 N406 L411 H412C385-H403 PolarHBondContact SG-CD2 3.34Å; C390-H403 PolarHBondContact SG-NE2 2.85Å; M392-H403 WeakPolarHBondContact CB-NE2 3.45Å; F394-H403 HydrophobicContact CE1-CB 4.42Å; F394-H403 HydrophobicContact CE2-CB 4.09Å; F394-H403 AromaticContact CE2-CD2 3.24Å; F394-H403 WeakPolarHBondContact CE2-CD2 3.39Å; F394-H403 AromaticContact CE2-CG 3.76Å; F394-H403 AromaticContact CE2-NE2 3.74Å; F394-H403 HydrophobicContact CZ-CB 3.81Å; F394-H403 AromaticContact CZ-CD2 3.36Å; F394-H403 WeakPolarHBondContact CZ-CD2 3.39Å; F394-H403 AromaticContact CZ-CE1 3.97Å; F394-H403 AromaticContact CZ-CG 3.45Å; F394-H403 VanDerWaalsContact CZ-CG 3.45Å; F394-H403 AromaticContact CZ-ND1 3.84Å; F394-H403 AromaticContact CZ-NE2 3.68Å; S399-H403 PolarHBondContact O-N 3.27Å; R400-H403 CarbonylContact O-C 3.58Å; R400-H403 WeakPolarHBondContact O-CA 3.4Å; R400-H403 WeakPolarHBondContact O-CB 3.08Å; R400-H403 PolarHBondContact O-N 3.31Å; N401-H403 VanDerWaalsContact C-N 3.29Å; N401-H403 PolarHBondContact O-N 3.1Å; H403-A405 VanDerWaalsContact C-N 3.32Å; H403-A405 PolarHBondContact O-N 2.61Å; H403-N406 WeakPolarHBondContact O-CB 3.32Å; H403-N406 PolarHBondContact O-N 3.21Å; H403-N406 VanDerWaalsContact O-N 3.11Å; H403-L411 PolarHBondContact CE1-O 3.16Å; H403-L411 VanDerWaalsContact CE1-O 3.29Å; H403-H412 AromaticContact CD2-CE1 3.93Å; H403-H412 AromaticContact CE1-CE1 3.87Å; H403-H412 AromaticContact CE1-ND1 3.79Å; H403-H412 AromaticContact NE2-CE1 3.78Å; H403-H412 AromaticContact NE2-ND1 3.58Å; H403-H412 PolarHBondContact O-CE1 3.09Å; H403-H412 PolarHBondContact O-NE2 2.91Å
404S78.6Confident72.6Confident26 Ų2687.1 Ų87.118%0.18245%0.454CS..Hα-helixtrans-69.6-24.6174.261.10000113.9T386 I387 R400 N406T386-S404 WeakPolarHBondContact OG1-CB 3.44Å; I387-S404 VanDerWaalsContact CD1-O 3.25Å; I387-S404 WeakPolarHBondContact CD1-O 3.42Å; R400-S404 PolarHBondContact O-N 3.39Å; R400-S404 PolarHBondContact O-OG 2.95Å; S404-N406 VanDerWaalsContact C-N 3.25Å; S404-N406 PolarHBondContact O-N 3.29Å
405A80.4Confident71.4Confident82 Ų8293 Ų9368%0.67849%0.485SS*.THydrogen-bonded Turntrans-849.4170.300000114N401 H403N401-A405 WeakPolarHBondContact O-CB 3.36Å; N401-A405 PolarHBondContact O-N 2.81Å; N401-A405 VanDerWaalsContact O-N 3.07Å; H403-A405 VanDerWaalsContact C-N 3.32Å; H403-A405 PolarHBondContact O-N 2.61Å
406N75.6Confident70.8Confident57 Ų5795 Ų9531%0.30549%0.487SS..  trans-101.5115.8177.1-169.1-29.4000110.2H403 S404 N408 L411 H412H403-N406 WeakPolarHBondContact O-CB 3.32Å; H403-N406 PolarHBondContact O-N 3.21Å; H403-N406 VanDerWaalsContact O-N 3.11Å; S404-N406 VanDerWaalsContact C-N 3.25Å; S404-N406 PolarHBondContact O-N 3.29Å; N406-N408 PolarHBondContact O-N 3.38Å; N406-N408 WeakPolarHBondContact OD1-CB 3.44Å; N406-N408 PolarHBondContact OD1-N 2.86Å; N406-N408 VanDerWaalsContact OD1-N 3.08Å; N406-L411 VanDerWaalsContact ND2-CD1 3.3Å; N406-L411 WeakPolarHBondContact ND2-CD1 3.48Å; N406-H412 PolarHBondContact O-NE2 3.5Å
407P74.3Confident69.8Low123 Ų123103.8 Ų103.880%0.79951%0.512SS*.  trans-76.71.2-176.332.5-37000114.4P409P407-P409 VanDerWaalsContact O-CD 3.25Å; P407-P409 WeakPolarHBondContact O-CD 3.45Å
408N63.1Low68.4Low71 Ų71106.4 Ų106.438%0.3853%0.527SS..  trans-75.9111.4179-175.8-19.7000111.3N406 R410 L411 H412N406-N408 PolarHBondContact O-N 3.38Å; N406-N408 WeakPolarHBondContact OD1-CB 3.44Å; N406-N408 PolarHBondContact OD1-N 2.86Å; N406-N408 VanDerWaalsContact OD1-N 3.08Å; N408-R410 PolarHBondContact O-N 2.7Å; N408-R410 WeakPolarHBondContact OD1-CB 3.23Å; N408-R410 PolarHBondContact OD1-N 3.03Å; N408-L411 HydrophobicContact CB-CD1 4.37Å; N408-L411 PolarHBondContact O-N 3.16Å; N408-H412 PolarHBondContact O-CD2 2.97Å
409P63.8Low66.7Low90 Ų90103.9 Ų103.958%0.58453%0.529SS*.G310 helixtrans-66.5-24.3-17528-35.7000113.1P407 L411 H412 M413P407-P409 VanDerWaalsContact O-CD 3.25Å; P407-P409 WeakPolarHBondContact O-CD 3.45Å; P409-L411 PolarHBondContact O-N 3Å; P409-L411 VanDerWaalsContact O-N 3.11Å; P409-H412 PolarHBondContact O-N 3.31Å; P409-M413 PolarHBondContact O-N 2.82Å
410R66.6Low65.2Low202 Ų202113.3 Ų113.376%0.76256%0.559SS**G310 helixtrans-67-13.2-179.7-55.3-165.274.2130.14.5113.7N408N408-R410 PolarHBondContact O-N 2.7Å; N408-R410 WeakPolarHBondContact OD1-CB 3.23Å; N408-R410 PolarHBondContact OD1-N 3.03Å
411L70.3Confident63.2Low82 Ų82118.6 Ų118.643%0.42959%0.592SS.*G310 helixtrans-88.6-19172.6-62.9177.7000112.9H403 N406 N408 P409H403-L411 PolarHBondContact CE1-O 3.16Å; H403-L411 VanDerWaalsContact CE1-O 3.29Å; N406-L411 VanDerWaalsContact ND2-CD1 3.3Å; N406-L411 WeakPolarHBondContact ND2-CD1 3.48Å; N408-L411 HydrophobicContact CB-CD1 4.37Å; N408-L411 PolarHBondContact O-N 3.16Å; P409-L411 PolarHBondContact O-N 3Å; P409-L411 VanDerWaalsContact O-N 3.11Å
412H74.3Confident61.3Low15 Ų15124.5 Ų124.57%0.06961%0.614CS.*THydrogen-bonded Turntrans-97.7-21.3-176.8-65.3-63.6000113I387 C390 H403 N406 N408 P409I387-H412 WeakPolarHBondContact CD1-NE2 3.14Å; I387-H412 HydrophobicContact CG2-CB 4.26Å; C390-H412 WeakPolarHBondContact CA-O 3.47Å; C390-H412 HydrophobicContact CB-CB 3.9Å; C390-H412 PolarHBondContact SG-ND1 3.44Å; H403-H412 AromaticContact CD2-CE1 3.93Å; H403-H412 AromaticContact CE1-CE1 3.87Å; H403-H412 AromaticContact CE1-ND1 3.79Å; H403-H412 AromaticContact NE2-CE1 3.78Å; H403-H412 AromaticContact NE2-ND1 3.58Å; H403-H412 PolarHBondContact O-CE1 3.09Å; H403-H412 PolarHBondContact O-NE2 2.91Å; N406-H412 PolarHBondContact O-NE2 3.5Å; N408-H412 PolarHBondContact O-CD2 2.97Å; P409-H412 PolarHBondContact O-N 3.31Å
413M71.3Confident59.1Low124 Ų124123.1 Ų123.161%0.61162%0.621SS**SBendtrans-60130.1170.2-69179.37100111.9P409 M415P409-M413 PolarHBondContact O-N 2.82Å; M413-M415 PolarHBondContact O-N 3.39Å; M413-M415 VanDerWaalsContact O-N 3.1Å
414P57.1Low57.2Low86 Ų86129.9 Ų129.956%0.55866%0.657SS**  trans-67.4106169.7-18.331.9000111.1N416P414-N416 PolarHBondContact O-N 3.07Å
415M48Very low55.1Low167 Ų167140.2 Ų140.282%0.82369%0.692SS**  trans-73.9115.7163.2-71.3-159.674.700108.9M413 R417M413-M415 PolarHBondContact O-N 3.39Å; M413-M415 VanDerWaalsContact O-N 3.1Å; M415-R417 PolarHBondContact O-N 3.37Å
416N45Very low52.6Low146 Ų146140 Ų14078%0.78170%0.698SS**  trans-55.6126.8173.9-173.8-6.1000109.4P414 N418P414-N416 PolarHBondContact O-N 3.07Å; N416-N418 PolarHBondContact OD1-N 3.09Å
417R46.6Very low50.6Low237 Ų237143 Ų14389%0.89472%0.724SS**  trans-127.624.6-167.5-128.2-179.6-174.8-132.3-0.7113.8M415M415-R417 PolarHBondContact O-N 3.37Å
418N45.3Very low48.6Very low134 Ų134145.1 Ų145.172%0.71773%0.727SS**  trans-70.2161.3161.3-79.626.3000110.8N416N416-N418 PolarHBondContact OD1-N 3.09Å
419N40Very low46.9Very low160 Ų160147.1 Ų147.186%0.85675%0.746SS**SBendtrans7146.2172.7-53.61.4000116.9
420R42.3Very low45.4Very low235 Ų235147.4 Ų147.489%0.88776%0.756SS**SBendtrans-148.317157.1-141.5-176.1162.8135.80.8117.9
421D39Very low43.6Very low169 Ų169145 Ų14590%0.90476%0.759SS**SBendtrans-129.654.6173.4-80.3-67.3000110.6
422K41.2Very low41.7Very low194 Ų194149 Ų14984%0.84378%0.775SS**  trans-155.458.9178.8-162.979.4178.4-170.60112.5
423D37Very low39.5Very low161 Ų161153.4 Ų153.486%0.86181%0.808SS**  trans-150.5155.9163.6-105.2-44.9000111.2
424L41.1Very low37.6Very low166 Ų166152 Ų15287%0.86981%0.81SS**SBendtrans65.257.9179.9-55-177.6000117.6
425R34.4Very low36.3Very low243 Ų243156.8 Ų156.892%0.91783%0.825SS**SBendtrans-157.5119.8133.7-155.1176.2-61.6-100.8-2.5113.5
426G28.7Very low35.3Very low78 Ų78152.1 Ų152.180%0.80482%0.82SS**  trans64.2108.8149.200000119
427S32.4Very low34.6Very low121 Ų121152 Ų15285%0.84681%0.814SS**  trans-71.1147158.8-42.40000111.4
428L32.6Very low33.7Very low166 Ų166148.3 Ų148.387%0.86981%0.805SS**  trans168.4144.7142.4-94168.4000110.4
429S28.3Very low32.8Very low113 Ų113151.7 Ų151.779%0.7981%0.808SS**  trans54.7128.6177.647.10000116.9
430A32.8Very low32Very low96 Ų96147.7 Ų147.779%0.79380%0.797SS**  cis77.386.921.800000115.8
431D27.5Very low31.1Very low153 Ų153142.1 Ų142.182%0.81878%0.781SS**  trans-165.5130134.7-101.2-4.6000105.7
432E30.4Very low30.5Very low164 Ų164143.3 Ų143.377%0.76677%0.774SS**  86.7130.961.9-98.3-79.460.300114.1
433S27.7Very low29.8Very low108 Ų108138.7 Ų138.776%0.75577%0.767SS**  trans60.8160.917585.40000118.1
434S31.6Very low29.2Very low95 Ų95137.4 Ų137.466%0.66476%0.759SS**  cis-164.3172.8-35.457.80000109.4
435Q31.3Very low28.5Very low186 Ų186135.2 Ų135.287%0.86975%0.753SS**  trans65.5128.8175.9-53-178.2-2.500115.8
436G26.8Very low28.3Very low69 Ų69130.9 Ų130.971%0.71175%0.747SS**  cis140.2-179.1-4.400000112.7
437E29.9Very low28Very low143 Ų143131.8 Ų131.867%0.66874%0.741SS**  trans80.299.7152.7-59.4-104.580.800119.5
438K27Very low27.8Very low160 Ų160133.2 Ų133.270%0.69674%0.737SS**  trans62.8138140.66.8-178.3-162-90.10119.5
439R26.1Very low27.3Very low205 Ų205130.6 Ų130.677%0.77473%0.733SS**  cis60.5140.621.8-133.1-172.4170.4129.46.4113.1E441R439-E441 IonicContact CZ-OE1 2.68Å; R439-E441 IonicContact CZ-OE2 2.76Å; R439-E441 IonicContact NE-OE2 2.74Å; R439-E441 PolarHBondContact NE-OE2 3.24Å; R439-E441 VanDerWaalsContact NH2-CD 3.27Å; R439-E441 IonicContact NH2-OE1 2.89Å; R439-E441 PolarHBondContact NH2-OE1 2.91Å; R439-E441 IonicContact NH2-OE2 2.83Å; R439-E441 PolarHBondContact NH2-OE2 3.16Å
440A23.8Very low27Very low77 Ų77130.4 Ų130.464%0.63673%0.732SS**  cis-147.1154.616.400000107.7
441E23.4Very low26.8Very low118 Ų118131.1 Ų131.155%0.55173%0.731SS**  83.3137.559.5-145.1173-173.200112.9R439R439-E441 IonicContact CZ-OE1 2.68Å; R439-E441 IonicContact CZ-OE2 2.76Å; R439-E441 IonicContact NE-OE2 2.74Å; R439-E441 PolarHBondContact NE-OE2 3.24Å; R439-E441 VanDerWaalsContact NH2-CD 3.27Å; R439-E441 IonicContact NH2-OE1 2.89Å; R439-E441 PolarHBondContact NH2-OE1 2.91Å; R439-E441 IonicContact NH2-OE2 2.83Å; R439-E441 PolarHBondContact NH2-OE2 3.16Å
442Y27.5Very low27.2Very low194 Ų194133.2 Ų133.276%0.76174%0.736SS**  trans94.1131.6164.2-84-75.4000125.4
443S24.6Very low26.9Very low97 Ų97129.7 Ų129.768%0.67873%0.729SS**  trans76.1148.1144.2-68.80000121.4
444N25.3Very low27Very low133 Ų133131 Ų13171%0.71172%0.723SS**  cis169137.3-34.2-107.7-25.5000107.6
445T25.9Very low26.7Very low121 Ų121134.3 Ų134.374%0.74273%0.725SS**  167.9117.6123.540.40000115
446I30.5Very low26.3Very low151 Ų151130.7 Ų130.777%0.77472%0.721SS**  trans57.9114.7133.7-46162.2000120.3
447S23.4Very low26.4Very low98 Ų98131.7 Ų131.769%0.68572%0.723SS**  174.6127.6117.5-79.80000116.9
448I27.2Very low26.9Very low150 Ų150130.7 Ų130.777%0.76973%0.728SS**  trans68.8107.6141.8-57.4167.4000121.2
449S22.6Very low26.9Very low111 Ų111127.9 Ų127.978%0.77673%0.729SS**  trans58.1146.5146.681.40000120.7
450S22.8Very low26.9Very low109 Ų109127.6 Ų127.676%0.76273%0.729SS**  cis-151.3173.3-2.6-156.60000111.1
451S26.6Very low27.2Very low111 Ų111131.4 Ų131.478%0.77674%0.736SS**  trans53.380.8166.764.50000119.5
452E36.3Very low27.7Very low198 Ų198132.3 Ų132.393%0.92575%0.749SS**  -151.197.7129.4-168.9175.5166.900110.1
453S25Very low28.3Very low90 Ų90128.4 Ų128.463%0.62975%0.75SS**  trans-173.4152.9-173.286.40000109.1
454H28.8Very low28.6Very low136 Ų136131.9 Ų131.963%0.6376%0.755SS**  cis-166155.933.2-107.5-25.9000111.8
455K26.9Very low28.9Very low163 Ų163131 Ų13171%0.70975%0.754SS**  45.9146.5129.5-59.5166.1-178.8155.80120.5
456S23Very low29Very low111 Ų111131.5 Ų131.578%0.77675%0.753SS**  cis-167.9172-4-101.60000110.9
457A27Very low28.9Very low90 Ų90129.9 Ų129.974%0.74475%0.75SS**  trans-67.5179.9161.600000112.1
458P41.7Very low29.1Very low122 Ų122129.3 Ų129.379%0.79275%0.751SS**  cis-125.7-179.72.842-24.3000113.7
459S26Very low30.2Very low100 Ų100127.8 Ų127.870%0.69975%0.751SS**  176.7151.675.6-166.80000113
460Y27.7Very low30.5Very low199 Ų199131.5 Ų131.578%0.7875%0.753SS**  trans40.8140.4148.7102.9-42.2000121.7
461M29.1Very low30.7Very low157 Ų157132.7 Ų132.777%0.77375%0.75SS**  cis-149.41720.5-65.7-77.3-139.600111.8
462V34.7Very low30.7Very low137 Ų137135.7 Ų135.783%0.8375%0.751SS**  trans50.6106.1156.1-163.30000120.5
463S39.7Very low30.1Very low112 Ų112131 Ų13178%0.78374%0.741SS**  -165.7150.9127.445.30000109.2
464H30.1Very low30.2Very low171 Ų171131.4 Ų131.479%0.79274%0.744SS**  trans-151.9118.9-162.7-125.9-99000114.4
465V32.6Very low30.1Very low113 Ų113129.2 Ų129.269%0.68574%0.743SS**  trans56.6159.1141.1-51.90000120.8
466D28Very low30Very low133 Ų133130.8 Ų130.871%0.71175%0.751SS**  cis-153.1150.86.3-136.9-24.3000116.6
467T27.8Very low30.3Very low116 Ų116130.3 Ų130.371%0.71275%0.748SS**  trans43.6107.2140.9-680000125.3
468A27.2Very low30.3Very low87 Ų87131.5 Ų131.572%0.71975%0.75SS**  77-176.2127.400000121.8
469P51.8Low29.7Very low118 Ų118134 Ų13477%0.76675%0.754SS**  -138.5176.3-86.643.1-26.9000118.8
470K27.6Very low29.8Very low189 Ų189132 Ų13282%0.82275%0.748SS**  trans98.5145.1140.8-141.4-176.9-171.4176.60120
471L26.7Very low30.2Very low134 Ų134131.4 Ų131.470%0.70275%0.753SS**  trans94.2122.1158.2-53.3-176.6000122.8
472H27.3Very low30.4Very low173 Ų173130.4 Ų130.480%0.80176%0.755SS**  trans57.1126.5135.6-70.3-65.4000126.7
473S24.3Very low30.1Very low100 Ų100127.2 Ų127.270%0.69975%0.75SS**  99.1132.5127.4-158.40000122.5
474S26.5Very low29.6Very low99 Ų99130.1 Ų130.169%0.69276%0.755SS**  trans61.3158.4144.247.40000122.2
475S26.8Very low29.7Very low89 Ų89129.2 Ų129.262%0.62276%0.756SS**  cis-177.3152.1-28-86.60000110.5
476F24.1Very low29.4Very low196 Ų196133.6 Ų133.686%0.8677%0.766SS**  trans63.1176.1160.7-55-50.6000117.9
477S28.9Very low30.3Very low102 Ų102132.9 Ų132.971%0.71377%0.768SS**  -166.4-173.2-50.2-85.30000110.6
478S26.9Very low30.5Very low114 Ų114134.4 Ų134.480%0.79777%0.772SS**  trans77.1163.1178.8-73.20000116.3
479M30.7Very low30.7Very low176 Ų176138.4 Ų138.487%0.86778%0.78SS**  cis-174.6160.2-22.5-178.167.681.200106.6
480G27.1Very low30Very low57 Ų57141.8 Ų141.859%0.58878%0.783SS**  cis161.8175.5-8.400000111.7
481Q37.3Very low30.1Very low186 Ų186139.7 Ų139.787%0.86979%0.787SS**  trans65.5155.7174.4-69.3-178.3-20.500117.1
482T32.1Very low30.4Very low136 Ų136139.2 Ų139.283%0.83479%0.789SS**  cis-153.6161.64.9-7.40000112.8
483G27.6Very low30.7Very low70 Ų70138.7 Ų138.772%0.72279%0.787SS**  trans99.8171.5167.500000116.1
484I30.8Very low31.4Very low173 Ų173139.9 Ų139.989%0.88779%0.792SS**  cis-146.9168.5-7.7-49.3177.6000107.9
485L31.2Very low32.1Very low153 Ų153140.2 Ų140.280%0.80179%0.79SS**  trans-100.6156.9-172.7-61.1110.2000116.6
486F27.3Very low33Very low204 Ų204139 Ų13990%0.89578%0.776SS**  -176.3166.2126.7-97.9-55.3000110.4
487P45.4Very low33.9Very low118 Ų118134.3 Ų134.377%0.76677%0.765SS**  -108.4179.5-9935.3-19.2000116.3
488N32.7Very low34.2Very low148 Ų148132.7 Ų132.779%0.79175%0.746SS**  trans-77.6143-176.5-83.4-97000114.2
489L31.7Very low35.3Very low171 Ų171133.1 Ų133.190%0.89573%0.73SS**  trans-128.5123.5153.9-74.7174.8000109.3
490K35.9Very low35.7Very low189 Ų189135.6 Ų135.682%0.82273%0.73SS**  trans-88.1117.3179.8-66.7176.3180174.70110.1V492K490-V492 PolarHBondContact O-N 2.72Å
491T31.6Very low36.1Very low146 Ų146138.1 Ų138.190%0.89674%0.739SS**  trans-78.5112.9168.7-46.60000109.8
492V32.9Very low36.1Very low123 Ų123137.6 Ų137.675%0.74574%0.741SS**  trans-74.4135.6-178.8177.10000110.8K490K490-V492 PolarHBondContact O-N 2.72Å
493Q33.7Very low36.3Very low163 Ų163136.8 Ų136.876%0.76274%0.735SS**  trans-82.9127.2163.3-84.1-164.7-45.800110.1V495Q493-V495 VanDerWaalsContact C-N 3.33Å; Q493-V495 HydrophobicContact CB-CG2 4.46Å; Q493-V495 PolarHBondContact O-N 3.3Å
494P38.9Very low36.6Very low125 Ų125139.9 Ų139.981%0.81274%0.741SS**  trans-78.382.9169.832.4-33.4000110.1
495V40.2Very low36.8Very low106 Ų106137.8 Ų137.864%0.64274%0.738SS**  trans-86.9128.4161.2179.80000107.4Q493Q493-V495 VanDerWaalsContact C-N 3.33Å; Q493-V495 HydrophobicContact CB-CG2 4.46Å; Q493-V495 PolarHBondContact O-N 3.3Å
496L45.2Very low36.7Very low62 Ų62134.9 Ų134.933%0.32574%0.736SS.*  trans-62.4128.1176.3-68.5175.8000109.5F498L496-F498 HydrophobicContact CB-CD2 4.39Å; L496-F498 PolarHBondContact O-N 3.13Å; L496-F498 VanDerWaalsContact O-N 3.15Å
497P43.8Very low37Very low99 Ų99134 Ų13464%0.64374%0.735SS**THydrogen-bonded Turntrans-66.8-21.7-166.925.1-34.6000114Y499P497-Y499 PolarHBondContact O-N 3.27Å
498F36Very low36.3Very low68 Ų68136.3 Ų136.330%0.29874%0.74SS.*THydrogen-bonded Turntrans-63.9-6.1-176.8-52.5-84.4000115.4L90 Q92 L496L90-F498 WeakPolarHBondContact O-CE1 3.17Å; Q92-F498 HydrophobicContact CB-CD1 4.44Å; L496-F498 HydrophobicContact CB-CD2 4.39Å; L496-F498 PolarHBondContact O-N 3.13Å; L496-F498 VanDerWaalsContact O-N 3.15Å
499Y49.3Very low36Very low122 Ų122132.9 Ų132.948%0.47873%0.732SS.*  trans-115.550.1-178.4-66.8-78000113.4I110 P497I110-Y499 HydrophobicContact CD1-CE1 3.73Å; I110-Y499 HydrophobicContact CG1-CE1 3.73Å; I110-Y499 WeakPolarHBondContact CG1-OH 3.47Å; P497-Y499 PolarHBondContact O-N 3.27Å
500R38.7Very low36Very low229 Ų229131.4 Ų131.486%0.86473%0.725SS**  trans-105.4116.1161.5-81.6-164.5169.5-157-1.7110.8
501S36.4Very low35.8Very low109 Ų109128.6 Ų128.676%0.76272%0.724SS**  trans-68.4138169.1-168.80000110.6V503S501-V503 VanDerWaalsContact C-N 3.32Å; S501-V503 PolarHBondContact O-N 3.11Å; S501-V503 VanDerWaalsContact O-N 3.15Å
502L36.6Very low36.3Very low176 Ų176127.8 Ų127.892%0.92172%0.721SS**SBendtrans-86.865.6178.2-69.4175.8000111.5
503V36.1Very low36Very low118 Ų118125.4 Ų125.472%0.71572%0.722SS**  trans-136.4118.7165.3-1780000109S501S501-V503 VanDerWaalsContact C-N 3.32Å; S501-V503 PolarHBondContact O-N 3.11Å; S501-V503 VanDerWaalsContact O-N 3.15Å
504T34.7Very low35.7Very low136 Ų136124 Ų12483%0.83472%0.724SS**  trans-100.2115.3-178.340.40000111.4A506T504-A506 PolarHBondContact O-N 3.29Å
505P33.4Very low35Very low129 Ų129125.1 Ų125.184%0.83872%0.723SS**  trans-97.576.9-175.236.9-33.9000112.9
506A29.6Very low34.8Very low91 Ų91125.6 Ų125.675%0.75273%0.728SS**  trans-178.3109.3153.300000112.3T504T504-A506 PolarHBondContact O-N 3.29Å
507E34Very low33.8Very low187 Ų187124.7 Ų124.787%0.87473%0.727SS**  trans-155.3132.1142.3-116.7165.7-162.300111.3
508L31Very low32.9Very low166 Ų166122.1 Ų122.187%0.86971%0.707SS**  trans57.9102.6160.1-55.4177.2000121.7
509A27.1Very low33.3Very low76 Ų76122.5 Ų122.563%0.62872%0.717SS**  -114.8153.2123.500000106.8
510N31.2Very low32.3Very low139 Ų139123.7 Ų123.774%0.74373%0.73SS**  cis-160.5142.139.3-62.5-101.2000112.2
511T30.8Very low31.6Very low130 Ų130120.4 Ų120.480%0.79873%0.729SS**  trans58.2170.7137.661.70000122
512P42.5Very low31.1Very low129 Ų129121.1 Ų121.184%0.83873%0.734SS**  cis-131176.6-18.733-14000115.5
513G26.5Very low30.6Very low74 Ų74117.4 Ų117.476%0.76372%0.723SS**  trans160.969.7159.700000123.6
514T26.8Very low30.5Very low133 Ų133116.6 Ų116.682%0.81672%0.722SS**  trans36.7115.1140.8-42.70000125.7
515L24.3Very low30.3Very low148 Ų148116.1 Ų116.178%0.77572%0.719SS**  trans31.2160.9130.6-53.1-179.7000123.3
516P36.3Very low29.9Very low116 Ų116115.7 Ų115.775%0.75371%0.714SS**  cis-135.2-13918.542.7-20.4000116.5
517S24.5Very low29.8Very low43 Ų43117.6 Ų117.630%0.30172%0.716SS.*  trans-157.6161.4-150.968.40000120R581S517-R581 WeakPolarHBondContact CB-O 3.15Å
518L26Very low29.5Very low45 Ų45117.6 Ų117.624%0.23671%0.713CS.*  trans71175.7155.4-67.9180000120.5R579 C580 R581 E582L518-R579 VanDerWaalsContact CD1-NH1 3.34Å; L518-C580 HydrophobicContact CD1-CB 4.01Å; L518-C580 HydrophobicContact CD2-CB 4.21Å; L518-C580 HydrophobicContact CG-CB 3.92Å; L518-R581 HydrophobicContact CD2-CB 4.37Å; L518-E582 HydrophobicContact CD2-CB 4.39Å; L518-E582 WeakPolarHBondContact CD2-OE1 3.32Å
519P44.6Very low29.7Very low77 Ų77114.7 Ų114.750%0.570%0.704SS.*  cis-133.4-178.1-8.630.1-7.4000116.7E582 K583P519-E582 WeakPolarHBondContact CA-OE2 3.42Å; P519-K583 PolarHBondContact O-NZ 3.01Å
520I26.3Very low29.8Very low146 Ų146118.1 Ų118.175%0.74971%0.71SS**  168.5161.7124.9-84.3161.1000113.4
521L25.9Very low29.5Very low161 Ų161117.1 Ų117.184%0.84371%0.71SS**  trans-132.2160.9-163.4-65.8160000114.5
522S24.1Very low29.5Very low123 Ų123117 Ų11786%0.8671%0.708SS**  trans148156.6141.6-720000114.4
523S28.1Very low29.2Very low99 Ų99116.3 Ų116.369%0.69270%0.704SS**  cis-173.8136.7-27.2-1720000113.1
524S32Very low29.1Very low101 Ų101119.3 Ų119.371%0.70670%0.698SS**  trans58.9132.4147.166.40000121.9
525V31.2Very low29.5Very low126 Ų126114 Ų11476%0.76467%0.666SS**  164.6146.296.2151.70000107.3
526T24.9Very low29.6Very low120 Ų120108.5 Ų108.574%0.73664%0.639SS**  cis-160.5-167.4-17.1360000106.4
527V27.6Very low29.1Very low131 Ų131106.2 Ų106.279%0.79462%0.619SS**  cis-147.1-131.523.2-155.40000112.6
528K29Very low29.1Very low187 Ų187110.7 Ų110.781%0.81365%0.645SS**  trans-171.5179.2-162-77.4-159.1180-173.70111.5
529P34.9Very low29.3Very low105 Ų105114.6 Ų114.668%0.68267%0.666SS**  cis-137.5177.8-2525.5-1.9000115.7
530I27.7Very low28.9Very low148 Ų148116.3 Ų116.376%0.75968%0.677SS**  163.4117.3114.6-83.4173.7000113.8
531T26.1Very low29.2Very low118 Ų118116.7 Ų116.772%0.72468%0.679SS**  trans59.2120.8149.1-54.70000120.9
532V31.2Very low29.8Very low127 Ų127114.1 Ų114.177%0.7767%0.672SS**  cis87.2131.723.9-176.90000115.1
533P34.4Very low29.9Very low115 Ų115118.4 Ų118.475%0.74768%0.676SS**  cis-134.6-172.8-15.137.2-16000116.8
534E25.9Very low30Very low136 Ų136123.2 Ų123.264%0.63668%0.684SS**  trans-48.7-170.7150-113.6-97.2125.700113C536E534-C536 PolarHBondContact OE2-N 3.45Å; E534-C536 VanDerWaalsContact OE2-N 3.14Å
535P34.4Very low30Very low22 Ų22128 Ų12814%0.14369%0.692CS.*  cis-170.5134.348.537.7-7.8000127.1E564 E565P535-E564 WeakPolarHBondContact CD-OE1 3.25Å; P535-E564 VanDerWaalsContact CD-OE2 3.25Å; P535-E564 WeakPolarHBondContact CD-OE2 3.45Å; P535-E564 CarbonylContact O-C 3.58Å; P535-E564 WeakPolarHBondContact O-CA 3.44Å; P535-E564 WeakPolarHBondContact O-CB 3.15Å; P535-E564 WeakPolarHBondContact O-CG 2.88Å; P535-E565 HydrophobicContact CB-CB 3.78Å; P535-E565 VanDerWaalsContact CB-CD 3.42Å; P535-E565 HydrophobicContact CB-CG 3.54Å; P535-E565 WeakPolarHBondContact CB-OE2 3.34Å; P535-E565 HydrophobicContact CG-CB 3.71Å; P535-E565 HydrophobicContact CG-CG 3.97Å; P535-E565 WeakPolarHBondContact CG-OE2 3.48Å; P535-E565 VanDerWaalsContact O-CB 3.32Å; P535-E565 WeakPolarHBondContact O-CB 3.37Å; P535-E565 PolarHBondContact O-N 2.9Å
536C26.3Very low29.7Very low32 Ų32128.1 Ų128.122%0.21670%0.699CS.*  73.3-178.8127.4-139.80000131.4E534 E564 E565 W916E534-C536 PolarHBondContact OE2-N 3.45Å; E534-C536 VanDerWaalsContact OE2-N 3.14Å; C536-E564 CarbonylContact O-C 3.56Å; C536-E564 WeakPolarHBondContact O-CA 3.49Å; C536-E564 PolarHBondContact O-N 3.41Å; C536-E565 HydrophobicContact CB-CB 4.1Å; C536-E565 HydrophobicContact CB-CG 3.51Å; C536-W916 WeakPolarHBondContact SG-CH2 3.36Å; C536-W916 VanDerWaalsContact SG-CZ2 3.58Å
537M25.6Very low30.1Very low68 Ų68133.1 Ų133.134%0.33570%0.704SS.*  trans69.4154.9159.7-61.4-59.3172.400123.9E565 W916M537-E565 HydrophobicContact CG-CG 4.41Å; M537-W916 HydrophobicContact CE-CZ2 3.97Å
538T25.2Very low30.1Very low138 Ų138135.8 Ų135.885%0.84771%0.705SS**  cis-151.4176.1-2.1-3.90000115.2
539D29.8Very low30.3Very low126 Ų126131.8 Ų131.867%0.67470%0.7SS**  trans-110-168.6178.6-157.236.9000112.2
540P36.9Very low30.3Very low113 Ų113132.5 Ų132.573%0.73471%0.708SS**  cis-144.2-177.512.145-21000122
541I32.8Very low30.7Very low155 Ų155132.9 Ų132.980%0.79571%0.708SS**  trans-112132.9-156.6-57.6160.8000116.4
542P37.7Very low31Very low107 Ų107133.2 Ų133.270%0.69571%0.713SS**  trans-136.6129.4179.737.9-21000121.4
543K27.3Very low30.9Very low213 Ų213133.7 Ų133.793%0.92671%0.709SS**  trans76.3164.3146-70.5163.9-176.6159.40122.1
544K29.9Very low30.6Very low200 Ų200135.5 Ų135.587%0.8771%0.705SS**  trans-101.9170.9-158.5-63.1174.6178.6172.50115.2
545K31.2Very low30.8Very low201 Ų201135.3 Ų135.387%0.87471%0.707SS**  trans68.8103.1149.661153.5-173.4178.80121.8
546S25.8Very low30.5Very low129 Ų129140.8 Ų140.890%0.90273%0.731SS**  -162172.9129.9-157.60000113.6
547R32.9Very low30.8Very low225 Ų225146.4 Ų146.485%0.84975%0.752SS**  trans-97.9163.6-172-59.7167.6165.7162.4-5.8113.2
548K28.2Very low30.9Very low187 Ų187150.3 Ų150.381%0.81377%0.769SS**  trans79.6113.5144.5-84.7-179.1174.3-173.70120.2
549S31.3Very low31.1Very low103 Ų103149.6 Ų149.672%0.7276%0.764SS**  68.4155.2128.763.30000121.8
550S34.8Very low31Very low120 Ų120149.4 Ų149.484%0.83976%0.762SS**  trans92.7146.9167-50.20000116.4
551M37.3Very low30.8Very low156 Ų156152.3 Ų152.377%0.76877%0.766SS**  trans-80.5149.1-177.6-59.1136.35000112.2I553M551-I553 HydrophobicContact CE-CD1 3.75Å; M551-I553 HydrophobicContact CE-CG1 4.24Å
552P33Very low30.5Very low125 Ų125153.4 Ų153.481%0.81277%0.768SS**  trans-91.6158.4149.635.9-30.5000111.6
553I29Very low30.2Very low137 Ų137155.1 Ų155.170%0.70377%0.771SS**  trans-142.7117.3172.7-70.5-173.6000111.2M551M551-I553 HydrophobicContact CE-CD1 3.75Å; M551-I553 HydrophobicContact CE-CG1 4.24Å
554K26.7Very low30.6Very low152 Ų152150.2 Ų150.266%0.66175%0.751SS**  trans67.6162.2149.1-156.1-174.9179.8-64.70119.2E556K554-E556 IonicContact NZ-OE1 3.19Å; K554-E556 PolarHBondContact NZ-OE1 3.38Å; K554-E556 IonicContact NZ-OE2 3.69Å; K554-E556 PolarHBondContact NZ-OE2 3.01Å
555I31.2Very low31Very low132 Ų132144.4 Ų144.468%0.67773%0.727SS**  trans85.9101.8169.5-51.7-178.8000110.1
556E27.9Very low31.2Very low137 Ų137140.9 Ų140.964%0.6472%0.716SS**  67.3137.970.2-66.3140.7-118.700111K554K554-E556 IonicContact NZ-OE1 3.19Å; K554-E556 PolarHBondContact NZ-OE1 3.38Å; K554-E556 IonicContact NZ-OE2 3.69Å; K554-E556 PolarHBondContact NZ-OE2 3.01Å
557K31.8Very low31.8Very low151 Ų151138.8 Ų138.866%0.65769%0.694SS**  cis-174.7154.1-1154176.3177.5-85.80106.6
558E27.3Very low31.8Very low149 Ų149136 Ų13670%0.69669%0.688SS**  trans67156.2169.4-82.2156.6-177.300116.6
559V30.6Very low32Very low123 Ų123130 Ų13075%0.74568%0.68SS**  cis-166.9171.4-17.970.40000110.1
560I27.9Very low32.2Very low123 Ų123130.7 Ų130.763%0.63169%0.685SS**  trans84.9128.6156.5-87.5174.9000120.9
561E31.5Very low31.6Very low174 Ų174132.8 Ų132.881%0.81369%0.685SS**  trans41.3152.1149.8-64.9134.2-143.400123.8
562Q28.1Very low31.2Very low177 Ų177129.4 Ų129.483%0.82768%0.678SS**  trans-148135.3174.7178.1173.7-400108.9
563D30.9Very low31Very low143 Ų143130.4 Ų130.477%0.76568%0.676SS**  trans-154.9101.3-163.7-153.166.3000112.6
564E36.4Very low31.1Very low110 Ų110130.8 Ų130.851%0.51468%0.675SS.*  trans80.5161.4133.5-49.2-156.7147.200126.8P535 C536P535-E564 WeakPolarHBondContact CD-OE1 3.25Å; P535-E564 VanDerWaalsContact CD-OE2 3.25Å; P535-E564 WeakPolarHBondContact CD-OE2 3.45Å; P535-E564 CarbonylContact O-C 3.58Å; P535-E564 WeakPolarHBondContact O-CA 3.44Å; P535-E564 WeakPolarHBondContact O-CB 3.15Å; P535-E564 WeakPolarHBondContact O-CG 2.88Å; C536-E564 CarbonylContact O-C 3.56Å; C536-E564 WeakPolarHBondContact O-CA 3.49Å; C536-E564 PolarHBondContact O-N 3.41Å
565E37.6Very low31.1Very low78 Ų78131.9 Ų131.936%0.36468%0.682SS.*  trans-62.8-165-158.5-129.4-161.2167.100120P535 C536 M537P535-E565 HydrophobicContact CB-CB 3.78Å; P535-E565 VanDerWaalsContact CB-CD 3.42Å; P535-E565 HydrophobicContact CB-CG 3.54Å; P535-E565 WeakPolarHBondContact CB-OE2 3.34Å; P535-E565 HydrophobicContact CG-CB 3.71Å; P535-E565 HydrophobicContact CG-CG 3.97Å; P535-E565 WeakPolarHBondContact CG-OE2 3.48Å; P535-E565 VanDerWaalsContact O-CB 3.32Å; P535-E565 WeakPolarHBondContact O-CB 3.37Å; P535-E565 PolarHBondContact O-N 2.9Å; C536-E565 HydrophobicContact CB-CB 4.1Å; C536-E565 HydrophobicContact CB-CG 3.51Å; M537-E565 HydrophobicContact CG-CG 4.41Å
566M35.6Very low30.9Very low128 Ų128130.9 Ų130.963%0.63168%0.682SS**  cis-147151.218.5-169165.7-145.500118.1
567D38.6Very low31Very low85 Ų85129.2 Ų129.246%0.45568%0.683SS.*  trans-28.7150.1158.8174.352.4000120.3
568K32Very low31.3Very low165 Ų165129.6 Ų129.672%0.71769%0.691SS**  179.3141.9119.2-90.8176.8-154.5-41.20116.1
569G33.3Very low31.2Very low63 Ų63131.1 Ų131.165%0.64969%0.691SS**  trans-88.5-154.417700000115
570S33.8Very low30.9Very low116 Ų116128.7 Ų128.781%0.81168%0.678SS**  cis-160.7169.17.7-57.80000111.5
571L24.2Very low31.2Very low164 Ų164132 Ų13286%0.85968%0.683SS**  trans139.3115.2159.9-78.5161.9000109.9
572S27Very low31.1Very low86 Ų86126.2 Ų126.260%0.60166%0.656SS**  83.4126.972.8149.20000113
573D29.1Very low31.3Very low146 Ų146123.9 Ų123.978%0.78164%0.643SS**  cis-151.9176.3-9.1-67.8-51000107.6
574E31.1Very low31.2Very low145 Ų145123 Ų12368%0.67864%0.639SS**  cis-135.9-120.52.8-144.4-73.3-98.600109V576E574-V576 WeakPolarHBondContact OE1-CG2 3.37Å; E574-V576 PolarHBondContact OE1-N 3.26Å; E574-V576 PolarHBondContact OE2-N 3.06Å
575E26.9Very low30.9Very low175 Ų175124.7 Ų124.782%0.81865%0.651SS**  cis-144.4117.72.3-172.1-179168.500112.1
576V27.5Very low30.5Very low111 Ų111129.1 Ų129.167%0.67367%0.669SS**  trans38.2105.7158-1710000120.2E574E574-V576 WeakPolarHBondContact OE1-CG2 3.37Å; E574-V576 PolarHBondContact OE1-N 3.26Å; E574-V576 PolarHBondContact OE2-N 3.06Å
577P29.7Very low30.3Very low102 Ų102130.5 Ų130.566%0.66267%0.674SS**  trans-108.5161.1163.70.222.1000116.1
578L38Very low29.7Very low158 Ų158129.3 Ų129.383%0.82768%0.682SS**  trans56.7131.7144-61.3170.2000123.1
579R26.7Very low29.4Very low181 Ų181127.6 Ų127.668%0.68368%0.681SS**  trans-156.2167.4151.9-75.1-51.6-174.4-163.53.9109.8L518L518-R579 VanDerWaalsContact CD1-NH1 3.34Å
580C24Very low29.3Very low72 Ų72131.6 Ų131.649%0.48668%0.682SS.*  cis179.5153.4-45.8-1020000108.7L518L518-C580 HydrophobicContact CD1-CB 4.01Å; L518-C580 HydrophobicContact CD2-CB 4.21Å; L518-C580 HydrophobicContact CG-CB 3.92Å
581R32.7Very low29.1Very low193 Ų193134.2 Ų134.273%0.72868%0.682SS**  trans-5.7161.6136.9-177.9179.9161.8151.84.9120.1S517 L518S517-R581 WeakPolarHBondContact CB-O 3.15Å; L518-R581 HydrophobicContact CD2-CB 4.37Å
582E31Very low29.2Very low53 Ų53129.5 Ų129.525%0.24867%0.673CS.*  trans82.1153.5160.3-99.7162.1-98.700116.7L518 P519L518-E582 HydrophobicContact CD2-CB 4.39Å; L518-E582 WeakPolarHBondContact CD2-OE1 3.32Å; P519-E582 WeakPolarHBondContact CA-OE2 3.42Å
583K31.5Very low29.3Very low127 Ų127133.7 Ų133.755%0.55268%0.683SS**  cis-155.4-179.96.1-155154.6-164142.40113.4P519P519-K583 PolarHBondContact O-NZ 3.01Å
584D29.5Very low29.2Very low126 Ų126133.5 Ų133.567%0.67468%0.677SS**  trans-71157.9178.4-38.2-93.7000116.1
585D29.1Very low28.9Very low145 Ų145133.1 Ų133.178%0.77568%0.678SS**  162.6146112.5-96.9-39000116.4
586F29.1Very low28.8Very low170 Ų170129.5 Ų129.575%0.74667%0.671SS**  trans22152151-85.6-118.2000123.4
587E31Very low28.6Very low157 Ų157130.3 Ų130.373%0.73467%0.672SS**  cis-172.3149.7-13.3166.1176.3-12600112.2
588G26.7Very low28.3Very low60 Ų60131.6 Ų131.662%0.61967%0.669SS**  trans83.6161.1152.500000119.1
589N26.6Very low27.5Very low130 Ų130132 Ų13270%0.69566%0.664SS**  cis-179.7159.8-18.5-105.5-7000106.2
590H30.4Very low27.3Very low146 Ų146128.1 Ų128.168%0.67666%0.664SS**  cis-145.6-174.311-61.9-91.5000106.6
591E28.4Very low27.2Very low171 Ų171133 Ų13380%0.79968%0.68SS**  cis-172.8170.8-29.5-94.4162.7-146.800105.5
592G27.8Very low26.8Very low65 Ų65132.6 Ų132.667%0.6769%0.686SS**  cis176.8-174.6-0.900000112.6
593E28.7Very low26.5Very low175 Ų175134.8 Ų134.882%0.81871%0.714SS**  trans70.9141.6167-52.2-165.1151.700119.8
594H26Very low26.4Very low141 Ų141139.4 Ų139.465%0.65373%0.728SS**  cis-158.5136.8-9.6-119-160.3000108.9
595I26.5Very low26.2Very low137 Ų137142 Ų14270%0.70374%0.736SS**  68.6135.890.2-64.3-167.5000114
596C23.5Very low26Very low100 Ų100142.3 Ų142.368%0.67674%0.737SS**  cis-158.816530.4-141.40000115
597N22.9Very low25.9Very low127 Ų127143.7 Ų143.768%0.67974%0.739SS**  trans28.5163.8134.6-77.514.9000124.4
598E23.2Very low25.9Very low129 Ų129142.9 Ų142.960%0.60374%0.737SS**  cis-161153.611.2-133.1163.6128.100116
599K22.8Very low25.9Very low166 Ų166145.2 Ų145.272%0.72274%0.735SS**  trans49.7142.4138.7-89.3175.1-165.3152.90126.8
600S21.5Very low26Very low100 Ų100146.6 Ų146.670%0.69974%0.735SS**  trans68.6158.3132.9710000121
601E23.2Very low26Very low175 Ų175147.9 Ų147.982%0.81874%0.741SS**  cis-166170.1-23.5-110.3176.9165.100110.1
602E22.6Very low26Very low184 Ų184148.4 Ų148.486%0.8674%0.741SS**  trans68.3150.3149.4-81.1-163.5146.100126.4
603A26.5Very low26Very low99 Ų99151.5 Ų151.582%0.81874%0.738SS**  trans88.4167.7142.700000123.4
604R29.4Very low26Very low224 Ų224153.1 Ų153.185%0.84574%0.737SS**  trans-139.4178.9-168.5-71.4176.7168.2173.5-3110.6
605E24.4Very low26Very low181 Ų181153.8 Ų153.885%0.84675%0.745SS**  trans75.5155.9164.1-40.1-175.6167.900114.1
606D24.8Very low26Very low151 Ų151150.7 Ų150.781%0.80775%0.747SS**  cis-151.1-163.6-1.9-160.513.2000113.1
607Y27.3Very low26.3Very low199 Ų199151.3 Ų151.378%0.7875%0.752SS**  trans-65.2153.4-174.2-110.7-146.3000120.7
608M30Very low26.5Very low141 Ų141154.7 Ų154.770%0.69576%0.761SS**  trans76.8117.5135.2-71.9-73.8-79.800125.6
609D27.7Very low26.7Very low109 Ų109156 Ų15658%0.58377%0.767SS**  87.1152.2115.7-163.328.6000123.2
610K29.3Very low27.2Very low159 Ų159155.2 Ų155.269%0.69177%0.77SS**  trans75.3109.5162.4-90.9159.9-169.162.60124.7
611E29.4Very low27.7Very low172 Ų172156.5 Ų156.580%0.80477%0.767SS**  trans-2.4133.1133.6-50.1175.2156.300119.7
612K29.2Very low27.8Very low182 Ų182154.6 Ų154.679%0.79176%0.763SS**  -177.4150.9106.7-106.7-172.5174.9-168.50118.7
613E27.7Very low28.2Very low131 Ų131153.4 Ų153.461%0.61276%0.757SS**  trans6.2122.7150.3-85.3-165106.400123.7
614R28.7Very low28.4Very low209 Ų209153.7 Ų153.779%0.78975%0.749SS**  91.8137.6105.4-161.4-165.6-172.6153.6-5.5122.9
615D25Very low28.5Very low155 Ų155152.9 Ų152.983%0.82975%0.752SS**  trans103.2154.9146.9-145.212.2000120.7
616G27.1Very low28.9Very low72 Ų72148.5 Ų148.574%0.74275%0.747SS**  trans129.561.7155.400000121.3
617S28.9Very low29.1Very low112 Ų112144.4 Ų144.478%0.78374%0.74SS**  trans-72.7153.5-179.9-50.90000118.1
618K27.2Very low29.3Very low199 Ų199142.3 Ų142.387%0.86574%0.743SS**  trans-170131.6145.4-90.5131.9-169.5173.60109.5
619H29.1Very low29.3Very low156 Ų156140.2 Ų140.272%0.72274%0.742SS**  66.3146.468.2-100.3-35.5000115.6
620L32.1Very low29.3Very low149 Ų149143 Ų14378%0.7876%0.755SS**  cis-116.5-128.429.9-164.148.2000116.8
621I33.3Very low29.5Very low127 Ų127142.1 Ų142.165%0.65175%0.753SS**  trans-158.5147.8-161.4-69.9170000111
622D25Very low29.8Very low136 Ų136143 Ų14373%0.72775%0.749SS**  trans-165.3149.8151.4-125.75.9000110.9
623Q30.2Very low30Very low159 Ų159138.2 Ų138.274%0.74373%0.732SS**  cis-148.4-166.5-10.5-150.3168.288.800111.8
624T31.1Very low30Very low105 Ų105138.4 Ų138.464%0.64474%0.738SS**  -154.7129.3-124.2-65.40000118
625F31Very low30.2Very low206 Ų206135 Ų13590%0.90473%0.73SS**  trans59.5167.4152-90.1-110.4000120.4
626A33.2Very low30.6Very low90 Ų90135.1 Ų135.174%0.74473%0.726SS**  cis-151.3155.8300000114.8
627G28.5Very low30.5Very low64 Ų64138.1 Ų138.166%0.6673%0.725SS**  trans94175.4156.900000117.6
628N31Very low30.4Very low156 Ų156137.5 Ų137.583%0.83472%0.721SS**  cis-174.3171.8-17.9-101.5-21.9000110
629S30.3Very low31Very low97 Ų97133.9 Ų133.968%0.67872%0.717SS**  cis173.9121.3-41.8-85.10000110.9
630I28Very low30.9Very low166 Ų166129.5 Ų129.585%0.85172%0.715SS**  trans-166.2139.2153.9-103.2160.5000111.9
631E34.3Very low30.7Very low141 Ų141131.1 Ų131.166%0.65972%0.718SS**  trans-6.9154.3162.7-56.2-169.7-166.500121.7
632R35.4Very low30.4Very low190 Ų190134.4 Ų134.472%0.71773%0.728SS**  cis-167.2177.9-8.7-112.6-168.3-72.9169.1-4.3107.6
633N33.5Very low30.4Very low82 Ų82137.5 Ų137.544%0.43974%0.738SS.*  cis-129.8-147.81.3-155.137.8000108E635N633-E635 PolarHBondContact ND2-OE2 3.14Å; N633-E635 PolarHBondContact OD1-OE2 3.33Å
634D28Very low30.4Very low136 Ų136134.5 Ų134.573%0.72774%0.74SS**  cis-140.6163.1-0.2-63.2-85000106.2
635E33.3Very low30.1Very low137 Ų137134.7 Ų134.764%0.6475%0.746SS**  cis70.312234.1-55.4-166.984.800114.5N633N633-E635 PolarHBondContact ND2-OE2 3.14Å; N633-E635 PolarHBondContact OD1-OE2 3.33Å
636H31.7Very low29.9Very low158 Ų158130.8 Ų130.873%0.73174%0.739SS**  cis-150.1170.7-14.6-121.5-87.6000105.5
637D26.7Very low29.6Very low134 Ų134133.8 Ų133.872%0.71774%0.74SS**  cis-151.4-168.317-159.44000111.9
638S26.2Very low29.5Very low100 Ų100135.9 Ų135.970%0.69974%0.741SS**  trans-133.1-153.4174.7-125.60000109.3
639P39.1Very low29.2Very low122 Ų122134.6 Ų134.679%0.79274%0.738SS**  cis-138.3178.30.344.3-26.9000116.8
640G26.5Very low28.8Very low65 Ų65134.9 Ų134.967%0.6774%0.74SS**  102.8111.6112.900000122.3
641Q28.3Very low29.5Very low182 Ų182132.9 Ų132.985%0.8574%0.738SS**  trans59.9123136.6-56.6-178.6-1500121.7
642K27.1Very low28.9Very low197 Ų197131.2 Ų131.286%0.85774%0.742SS**  -179.4143.8102.8-97.5161.2-173.5170.20113.8
643E25.8Very low29Very low200 Ų200127.3 Ų127.394%0.93574%0.741SS**  trans-103.6125.6161-66.9-174.2129.700110.4
644A29.3Very low28.8Very low96 Ų96130.5 Ų130.579%0.79376%0.758SS**  trans168.2134.4161.700000105.7
645S26.2Very low28.7Very low110 Ų110130.2 Ų130.277%0.76975%0.752SS**  cis-148.6128.530.2360000108.7
646V25.8Very low28.6Very low123 Ų123132 Ų13275%0.74576%0.757SS**  76.6117.483.2168.60000113.8
647I27.5Very low28.5Very low153 Ų153136.2 Ų136.279%0.78577%0.767SS**  trans74.1148159-72.2167.5000117.9
648T25.3Very low29.6Very low108 Ų108134.8 Ų134.866%0.66377%0.765SS**  cis-176134.9-28.6-84.10000108.7
649V24.8Very low29.5Very low130 Ų130138.2 Ų138.279%0.78877%0.772SS**  trans60.8144159.3171.80000120.8
650S23.1Very low28.9Very low103 Ų103136.4 Ų136.472%0.7277%0.767SS**  trans-39.2177.4162.5-31.10000117.4
651P41.1Very low28.9Very low123 Ų123137.7 Ų137.780%0.79977%0.766SS**  cis-137.9-166.26.839.4-17.6000115.9
652S21.7Very low28.7Very low107 Ų107139.4 Ų139.475%0.74877%0.766SS**  trans-55.8167.7161.7-142.10000112.5
653P39Very low29Very low108 Ų108138.5 Ų138.570%0.70176%0.762SS**  cis-146.7-175.413.144.7-24.8000118.2
654L27.5Very low29Very low149 Ų149136.3 Ų136.378%0.7876%0.755SS**  trans78.9132.6139.8-143.672.9000123.7
655E26.8Very low29Very low129 Ų129136.5 Ų136.560%0.60375%0.751SS**  trans67.3118.6146.3-87-173153.200127.2
656K31.8Very low29.2Very low174 Ų174136.3 Ų136.376%0.75776%0.756SS**  30.2128.6122.5-55.6169.3-162.4157.30120.3
657R28.3Very low29.3Very low248 Ų248133.9 Ų133.994%0.93676%0.756SS**  trans-158.3170.5140.7-108.6-149.3154.5104.5-1.4112.6
658P50.8Low29.6Very low104 Ų104135.2 Ų135.268%0.67576%0.756SS**  trans-139.4-155.5-132.144.8-23.7000115.4
659M23.7Very low29.7Very low172 Ų172137.4 Ų137.485%0.84776%0.759SS**  trans111.7115.2166.2-70.4-81.8-16300116.1
660A26.8Very low30Very low84 Ų84136.1 Ų136.169%0.69476%0.755SS**  26.3142.3118.200000119.7
661S25.3Very low30.2Very low91 Ų91137.2 Ų137.264%0.63676%0.758SS**  cis-174.9174.72.546.60000111.2
662Y24.7Very low29.5Very low219 Ų219136.5 Ų136.586%0.85976%0.755SS**  trans67.6154.6157.997.5-105.6000116.4
663K32.9Very low29.9Very low177 Ų177137.5 Ų137.577%0.7776%0.756SS**  cis-169177-28.8-138.1-178.6-177.8-1770108.6
664I27.3Very low29.4Very low155 Ų155140.9 Ų140.980%0.79576%0.763SS**  trans78.1176.1159.2-64.9152.9000114.8
665S29.5Very low29.5Very low99 Ų99139.6 Ų139.669%0.69276%0.756SS**  trans-155.1167.2-132.754.50000115
666A29.1Very low29.7Very low106 Ų106142.7 Ų142.788%0.87676%0.763SS**  trans69.1160.9169.100000116.5
667G27.6Very low29.6Very low72 Ų72139.5 Ų139.574%0.74276%0.758SS**  cis146.5153.3-13.800000115.4
668K34.5Very low29.6Very low182 Ų182134 Ų13479%0.79175%0.747SS**  trans79.9147.2161.4-86.8175.2150.3-123.20122.6
669E28.5Very low28.6Very low154 Ų154136.8 Ų136.872%0.7275%0.753SS**  trans67.2144151.2-75.1147.8-144.300119.8
670S31.3Very low28.8Very low102 Ų102136 Ų13671%0.71375%0.747SS**  cis-145.7-159.4-3.552.50000109.9
671T25.7Very low28.7Very low126 Ų126139 Ų13977%0.77375%0.747SS**  cis-158.8-146.819.2-24.60000111.9
672C28.1Very low28.7Very low109 Ų109139.9 Ų139.974%0.73675%0.753SS**  trans-126.1176-168.9-39.60000112.3
673T29.1Very low28.7Very low128 Ų128136.9 Ų136.979%0.78575%0.752SS**  cis-139.3-117.1-16.1-1.80000111.7
674E28.8Very low28.4Very low178 Ų178133.5 Ų133.583%0.83275%0.75SS**  cis-158.6151.5-0.6-73.8-178.469.100113.6
675D28.2Very low28.5Very low122 Ų122134.6 Ų134.665%0.65276%0.757SS**  trans60.6131.8155.9-132.626.7000127.6
676R31.4Very low28.3Very low194 Ų194138.4 Ų138.473%0.73276%0.764SS**  trans54.7112.7142.6-90.1177.5-172.6100.40.1128
677T30.9Very low28.2Very low108 Ų108139.5 Ų139.566%0.66376%0.759SS**  58.7113.1122.957.50000124.7
678D28.4Very low28Very low132 Ų132140.9 Ų140.971%0.70676%0.763SS**  80.7131.6121.8-61.1-31.3000125.3
679M28.9Very low27.8Very low162 Ų162138.2 Ų138.280%0.79876%0.762SS**  trans62.6134.6151.2-106.285.380.700118.6
680E27.2Very low27.7Very low155 Ų155140.2 Ų140.272%0.72477%0.768SS**  cis-159.8173.429.7-109.6-162.2167.300114.3
681H26Very low27.3Very low148 Ų148143.1 Ų143.169%0.68577%0.774SS**  trans6597.8151.9-8193.2000122.6
682S24.9Very low27.6Very low110 Ų110142 Ų14277%0.76977%0.769SS**  84.1127.3118.8-63.30000124.8
683D24.6Very low27.4Very low155 Ų155145.7 Ų145.783%0.82978%0.775SS**  trans78.875.7142.9-119.31.2000122.1
684S26.7Very low27.3Very low106 Ų106145.9 Ų145.974%0.74177%0.767SS**  55.9114.6111.3-151.60000120.2
685L28.6Very low26.9Very low178 Ų178146.9 Ų146.993%0.93277%0.769SS**  trans-104.4157.3165.9-73.3167.9000111.4
686H25.1Very low26.7Very low180 Ų180150.6 Ų150.683%0.83377%0.774SS**  trans-105.4157.2-179.5-158-92.4000112.3
687V27.6Very low26.3Very low128 Ų128148.3 Ų148.378%0.77678%0.776SS**  trans78.1104.8172.9-166.50000117.9
688A24.3Very low26.1Very low101 Ų101151.5 Ų151.584%0.83578%0.784SS**  trans-158167.3147.900000110.5
689V29.4Very low26.1Very low127 Ų127149.6 Ų149.677%0.7778%0.781SS**  trans-142148.6-171.2159.60000111.8
690K26.1Very low26.2Very low195 Ų195144.8 Ų144.885%0.84877%0.772SS**  trans71128.6174.5-74.1167.1176.3-179.70118.7
691I24.3Very low26.3Very low164 Ų164145.7 Ų145.784%0.84178%0.776SS**  -150.2144.8126-65.3-164000108.5
692P31.8Very low26.5Very low101 Ų101148.2 Ų148.266%0.65678%0.78SS**  trans-113.8162.2165.939.8-30.4000114.7
693E23.1Very low26.9Very low187 Ų187149.8 Ų149.887%0.87478%0.778SS**  trans63.4165.3161.4-68.8174.8-176.400119.1
694H26.4Very low27.2Very low133 Ų133146.8 Ų146.862%0.61677%0.766SS**  cis-176.3119.7-40.4170.3-75.6000110.6W696H694-W696 AromaticContact CE1-CE2 3.92Å; H694-W696 AromaticContact CE1-NE1 4Å; H694-W696 AromaticContact NE2-NE1 3.91Å
695K22.3Very low27.3Very low199 Ų199148.9 Ų148.987%0.86577%0.769SS**  trans-168.8177.6157.3-120.4179.5179.4-171.80116.1
696W23.1Very low27.4Very low200 Ų200144 Ų14476%0.75876%0.762SS**  trans-133.1170.1-164.9-56.4-41.2000115.4H694H694-W696 AromaticContact CE1-CE2 3.92Å; H694-W696 AromaticContact CE1-NE1 4Å; H694-W696 AromaticContact NE2-NE1 3.91Å
697D23.8Very low27.6Very low146 Ų146139.4 Ų139.478%0.78176%0.763SS**  trans65.1156.8151.1-61.2-27.9000120.5
698E26.8Very low27.8Very low175 Ų175136.8 Ų136.882%0.81876%0.762SS**  cis-135.5-170.4-5.9-135.6-138.3120.200108.1
699S27.5Very low28.1Very low92 Ų92140.8 Ų140.864%0.64377%0.768SS**  cis-138.9-139.46.358.40000110
700G31.1Very low28.1Very low60 Ų60142.2 Ų142.262%0.61977%0.771SS**  cis132.71438.900000110
701H28.4Very low28.2Very low175 Ų175140.4 Ų140.481%0.8177%0.769SS**  cis-115.1140.3-9.1-74.1-87000109.1
702R31Very low28.2Very low201 Ų201139.2 Ų139.276%0.75877%0.765SS**  59131.792.6-117.5-175.4-157.9-95.8-1.7113.5
703L33.9Very low28.1Very low142 Ų142142.7 Ų142.774%0.74377%0.772SS**  cis-148.8175.841.9-65.8157.5000109.3
704T30Very low28.4Very low92 Ų92143 Ų14356%0.56477%0.771SS**  cis-177.6154.1-25.938.10000104.5
705N29.3Very low28.5Very low150 Ų150145.1 Ų145.180%0.80278%0.781SS**  cis-155164.10.9-99.3-10000106.3
706G30.5Very low28.7Very low76 Ų76138.8 Ų138.878%0.78477%0.773SS**  cis99.913323.500000110.2
707G28.3Very low28.9Very low83 Ų83136.9 Ų136.986%0.85678%0.776SS**  cis-178.4171.2-1.800000109.9
708G33.5Very low29.1Very low74 Ų74136.2 Ų136.276%0.76377%0.773SS**  trans-108.1160.6176.500000113
709L29.6Very low29.1Very low185 Ų185138.6 Ų138.697%0.96977%0.774SS**  trans-144.2179.1175.2-87.3-172.9000113.7
710L28.7Very low28.9Very low156 Ų156139 Ų13982%0.81778%0.776SS**  trans-145.1167.8-156.3174.768.2000110
711L29.3Very low28.7Very low157 Ų157144.3 Ų144.382%0.82278%0.784SS**  trans82.1-178.7162.4-94.8164.6000117.8
712D24.4Very low28.8Very low140 Ų140144.7 Ų144.775%0.74979%0.787SS**  trans-123.5176.7-133.9-141.8-39.1000114.7
713E30Very low28.8Very low173 Ų173141.4 Ų141.481%0.80878%0.784SS**  trans56.2107.3165.3-60-166.3105.700120
714K29.7Very low28.8Very low195 Ų195145 Ų14585%0.84879%0.789SS**  -164170.4103.5-120.8-172172.8-175.90116
715E27.7Very low28.8Very low176 Ų176143.4 Ų143.482%0.82279%0.791SS**  trans-89.5162.2-167.3-49.1145.699.600114.6
716G27.1Very low28.9Very low67 Ų67144.2 Ų144.269%0.69179%0.794SS**  trans137.7123.4142.600000118.5
717L26.9Very low29Very low160 Ų160146.7 Ų146.784%0.83880%0.799SS**  trans64.1140.7171.8-70.973.9000116
718D26.5Very low29Very low132 Ų132146.1 Ų146.171%0.70679%0.793SS**  cis84.585.221.1-166.438000117.1
719R27.2Very low28.8Very low225 Ų225150.8 Ų150.885%0.84980%0.8SS**  trans-159.8161.2141.1-160145.3-65.5-174.30.4112
720C23.9Very low28.9Very low100 Ų100147.2 Ų147.268%0.67679%0.79SS**  trans-104.2-173.1-172.6-46.70000113.8
721E27Very low29Very low171 Ų171147.2 Ų147.280%0.79979%0.786SS**  trans75.8127.3164.2-69.7169-177.400115.6
722E29.6Very low29Very low184 Ų184147.3 Ų147.386%0.8679%0.786SS**  73.6136.563.1-69.4-177.3-163.700111.9
723D31.6Very low29.7Very low132 Ų132148.4 Ų148.471%0.70679%0.787SS**  cis-153.4-165.54.8-175.521.5000109.6
724Y34.8Very low30.8Very low216 Ų216145.1 Ų145.185%0.84778%0.781SS**  trans80.3133169.3-65.5-90.7000118
725G29.8Very low30.8Very low59 Ų59143 Ų14361%0.60878%0.779SS**  cis146.595.3-4.300000115
726I29.9Very low31.4Very low168 Ų168137.4 Ų137.486%0.86276%0.762SS**  trans57.5113.2149.7-52.7176.6000119.8
727S33.2Very low32.3Very low127 Ų127141.5 Ų141.589%0.88877%0.768SS**  trans179.4137133.5-79.80000109.4
728G28.1Very low33.5Very low71 Ų71140.9 Ų140.973%0.73277%0.765SS**  cis-166.2176.1-4.500000110.7
729L30.2Very low34.9Very low173 Ų173138.5 Ų138.591%0.90676%0.757SS**  trans-56.3158.6-174.5-89.567.6000114.5
730S31Very low36.9Very low109 Ų109131.4 Ų131.476%0.76273%0.733SS**  cis-150.6129.640.758.90000118.7
731H31Very low39Very low156 Ų156131.3 Ų131.372%0.72272%0.722SS**  trans-12.2125.8147172.384.4000119.9
732L30.1Very low41.5Very low160 Ų160123.2 Ų123.284%0.83869%0.685SS**  trans-153.7137.6132.3-83.7-167.7000111.3
733E38.4Very low43.2Very low162 Ų162122.5 Ų122.576%0.75768%0.681SS**  trans-156.6156.6169.7-96.6-87.4172.300105.3
734P52.9Low45Very low104 Ų104121.1 Ų121.168%0.67567%0.673SS**  cis-124.6-177-2.643.6-30.9000113.2
735D29.9Very low46.8Very low152 Ų152112.8 Ų112.881%0.81365%0.646SS**  -171.1150.2111.8-157.120.4000115.7
736A40.8Very low48.7Very low57 Ų57114.4 Ų114.447%0.47165%0.648SS.*  trans30.6118.4149.900000124.1
737N46.5Very low50.8Low153 Ų153111.9 Ų111.982%0.81863%0.631SS**  55.980.9122.6-59.3-63.4000119.5P739N737-P739 VanDerWaalsContact O-CD 3.32Å; N737-P739 WeakPolarHBondContact O-CD 3.43Å
738L51Low52.9Low147 Ų147110.7 Ų110.777%0.7762%0.618SS**  trans-68.7120.6156.3-159.374.9000109.9H740L738-H740 PolarHBondContact O-N 3.16Å
739P56.9Low55.2Low82 Ų82110.2 Ų110.253%0.53260%0.596SS.*  trans-71.2106.5-173.6-19.933.5000112.1N737 H741 T748N737-P739 VanDerWaalsContact O-CD 3.32Å; N737-P739 WeakPolarHBondContact O-CD 3.43Å; P739-H741 PolarHBondContact O-N 2.99Å; P739-H741 PolarHBondContact O-ND1 3.11Å; P739-T748 HydrophobicContact CB-CG2 4.18Å
740H67.9Low57.1Low76 Ų76112.2 Ų112.235%0.35260%0.598SS.*EExtended strand (participates in β ladder)trans-66.798.1176.8-55.1-67.3000110.3L738 F749 V755L738-H740 PolarHBondContact O-N 3.16Å; H740-F749 PolarHBondContact O-N 3.34Å; H740-V755 HydrophobicContact CB-CG2 3.62Å; H740-V755 VanDerWaalsContact O-CG2 3.28Å; H740-V755 WeakPolarHBondContact O-CG2 3.5Å
741H67.6Low59.4Low98 Ų98110.7 Ų110.745%0.45458%0.581SS.*EExtended strand (participates in β ladder)trans-111.3157.4-178.760.7-79.1000111.5P739 K747 T748P739-H741 PolarHBondContact O-N 2.99Å; P739-H741 PolarHBondContact O-ND1 3.11Å; H741-K747 CarbonylContact C-O 3.59Å; H741-K747 WeakPolarHBondContact CA-O 3.4Å; H741-T748 HydrophobicContact CB-CG2 4.08Å
742C79.9Confident61.5Low1 Ų1106.7 Ų106.71%0.00757%0.569CS.*  trans-83.6117.5171.7-173.60000110.3I744 C745 S746 K747 F749 V755 H758C742-I744 PolarHBondContact O-N 3.26Å; C742-I744 VanDerWaalsContact O-N 3.12Å; C742-C745 PolarHBondContact O-N 3.26Å; C742-S746 VanDerWaalsContact O-CA 3.27Å; C742-S746 WeakPolarHBondContact O-CA 3.45Å; C742-S746 PolarHBondContact O-N 3.09Å; C742-K747 PolarHBondContact N-O 3.18Å; C742-F749 HydrophobicContact CB-CE2 4.38Å; C742-V755 HydrophobicContact CB-CG1 4.46Å; C742-H758 VanDerWaalsContact CB-CD2 3.43Å; C742-H758 WeakPolarHBondContact CB-CD2 3.4Å; C742-H758 VanDerWaalsContact CB-NE2 3.31Å; C742-H758 WeakPolarHBondContact CB-NE2 3.47Å; C742-H758 VanDerWaalsContact SG-CD2 3.58Å; C742-H758 PolarHBondContact SG-NE2 3.24Å
743E65.9Low63.9Low169 Ų169106.5 Ų106.579%0.7956%0.558SS**THydrogen-bonded Turntrans-57-28.4-179.3-67161.2-17000113.6
744I69Low65.9Low103 Ų103101.1 Ų101.153%0.52854%0.538SS..THydrogen-bonded Turntrans-85.9-22.3-177-55.4178.4000112.9C742 Y759 H763C742-I744 PolarHBondContact O-N 3.26Å; C742-I744 VanDerWaalsContact O-N 3.12Å; I744-Y759 HydrophobicContact CD1-CD2 4.36Å; I744-Y759 HydrophobicContact CD1-CE2 3.56Å; I744-Y759 HydrophobicContact CG1-CE2 4.23Å; I744-H763 HydrophobicContact CD1-CB 4.09Å; I744-H763 VanDerWaalsContact CG2-CE1 3.46Å; I744-H763 WeakPolarHBondContact CG2-CE1 3.31Å; I744-H763 WeakPolarHBondContact CG2-ND1 3.11Å
745C73.3Confident67.3Low42 Ų4297.2 Ų97.228%0.28451%0.513SS..THydrogen-bonded Turntrans-142.414.2-177.987.40000115.8C742 K747 H758C742-C745 PolarHBondContact O-N 3.26Å; C745-K747 PolarHBondContact O-N 2.79Å; C745-K747 VanDerWaalsContact SG-CD 3.56Å; C745-H758 PolarHBondContact SG-NE2 3.09Å; C745-H758 VanDerWaalsContact SG-NE2 3.43Å
746S69.9Low69.5Low93 Ų9397.2 Ų97.265%0.6551%0.505SS*.  trans4921.5174.7-48.80000116.7C742C742-S746 VanDerWaalsContact O-CA 3.27Å; C742-S746 WeakPolarHBondContact O-CA 3.45Å; C742-S746 PolarHBondContact O-N 3.09Å
747K73.9Confident71.2Confident114 Ų11497.8 Ų97.850%0.49650%0.5SS..  trans-77.7126.2175.2-73.3172.8-167.4159.10109.2H741 C742 C745 F749H741-K747 CarbonylContact C-O 3.59Å; H741-K747 WeakPolarHBondContact CA-O 3.4Å; C742-K747 PolarHBondContact N-O 3.18Å; C745-K747 PolarHBondContact O-N 2.79Å; C745-K747 VanDerWaalsContact SG-CD 3.56Å; K747-F749 HydrophobicContact CB-CD2 4.49Å; K747-F749 HydrophobicContact CB-CE2 3.62Å; K747-F749 HydrophobicContact CB-CZ 3.96Å; K747-F749 WeakPolarHBondContact O-CD2 3.34Å; K747-F749 WeakPolarHBondContact O-CE2 3.33Å
748T76.1Confident72.8Confident103 Ų10391.2 Ų91.263%0.63246%0.464SS*.EExtended strand (participates in β ladder)trans-82.6140.7175.645.80000111.3P739 H741P739-T748 HydrophobicContact CB-CG2 4.18Å; H741-T748 HydrophobicContact CB-CG2 4.08Å
749F77.8Confident73.8Confident60 Ų6088.8 Ų88.826%0.26345%0.445SS..EExtended strand (participates in β ladder)trans-132.9148.8179.8-63.2-92.9000110.3H740 C742 K747 N751 V755 H758H740-F749 PolarHBondContact O-N 3.34Å; C742-F749 HydrophobicContact CB-CE2 4.38Å; K747-F749 HydrophobicContact CB-CD2 4.49Å; K747-F749 HydrophobicContact CB-CE2 3.62Å; K747-F749 HydrophobicContact CB-CZ 3.96Å; K747-F749 WeakPolarHBondContact O-CD2 3.34Å; K747-F749 WeakPolarHBondContact O-CE2 3.33Å; F749-N751 PolarHBondContact O-N 3.5Å; F749-N751 VanDerWaalsContact O-N 3.15Å; F749-V755 HydrophobicContact CB-CG2 3.87Å; F749-V755 HydrophobicContact CD2-CG2 3.86Å; F749-V755 HydrophobicContact CG-CG2 4.18Å; F749-H758 HydrophobicContact CE1-CB 3.91Å; F749-H758 HydrophobicContact CE2-CB 4.06Å; F749-H758 AromaticContact CE2-CD2 3.32Å; F749-H758 WeakPolarHBondContact CE2-CD2 3.29Å; F749-H758 AromaticContact CE2-CG 3.67Å; F749-H758 AromaticContact CE2-NE2 3.93Å; F749-H758 HydrophobicContact CZ-CB 3.57Å; F749-H758 AromaticContact CZ-CD2 3.42Å; F749-H758 VanDerWaalsContact CZ-CD2 3.42Å; F749-H758 WeakPolarHBondContact CZ-CD2 3.31Å; F749-H758 AromaticContact CZ-CG 3.26Å; F749-H758 AromaticContact CZ-ND1 3.78Å; F749-H758 AromaticContact CZ-NE2 3.98Å
750K69.8Low74.5Confident215 Ų21590.2 Ų90.294%0.93545%0.445SS*.SBendtrans-74.61.1-175.1-59.4-168.7175.8-1670115.3
751N78.3Confident74.4Confident77 Ų7791.2 Ų91.241%0.41245%0.453SS..SBendtrans-163.9140.1-172.6-172.5-64.5000109.6F749 Y753 S754 V755F749-N751 PolarHBondContact O-N 3.5Å; F749-N751 VanDerWaalsContact O-N 3.15Å; N751-Y753 VanDerWaalsContact C-N 3.27Å; N751-Y753 PolarHBondContact O-N 3.22Å; N751-Y753 WeakPolarHBondContact OD1-CB 3.36Å; N751-Y753 PolarHBondContact OD1-N 3.12Å; N751-S754 WeakPolarHBondContact O-CB 3.38Å; N751-S754 PolarHBondContact O-N 2.99Å; N751-V755 PolarHBondContact O-N 3.09Å
752P74.9Confident74.3Confident72 Ų7290.6 Ų90.647%0.46845%0.452SS..Hα-helixtrans-64.8-28.7-179.926.8-34.7000112.9S754 V755 K756P752-S754 VanDerWaalsContact C-N 3.27Å; P752-S754 PolarHBondContact O-N 3.46Å; P752-V755 WeakPolarHBondContact O-CB 3.29Å; P752-V755 PolarHBondContact O-N 3.3Å; P752-K756 PolarHBondContact O-N 2.86Å
753Y80.4Confident73.8Confident157 Ų15792.1 Ų92.162%0.61646%0.459SS*.Hα-helixtrans-63-34.6172.3-174.4-112000112N751 K756 I757N751-Y753 VanDerWaalsContact C-N 3.27Å; N751-Y753 PolarHBondContact O-N 3.22Å; N751-Y753 WeakPolarHBondContact OD1-CB 3.36Å; N751-Y753 PolarHBondContact OD1-N 3.12Å; Y753-K756 PolarHBondContact O-N 3.11Å; Y753-I757 HydrophobicContact CD1-CD1 3.85Å; Y753-I757 HydrophobicContact CE1-CD1 3.33Å; Y753-I757 HydrophobicContact CE1-CG1 4.21Å; Y753-I757 HydrophobicContact CE2-CD1 4.47Å; Y753-I757 WeakPolarHBondContact O-CB 3.48Å; Y753-I757 WeakPolarHBondContact O-CG1 3.41Å; Y753-I757 PolarHBondContact O-N 3.09Å
754S81.1Confident73.7Confident48 Ų4889.3 Ų89.334%0.33645%0.449SS..Hα-helixtrans-69.3-35.7173.9-60.80000112.1N751 P752 H758N751-S754 WeakPolarHBondContact O-CB 3.38Å; N751-S754 PolarHBondContact O-N 2.99Å; P752-S754 VanDerWaalsContact C-N 3.27Å; P752-S754 PolarHBondContact O-N 3.46Å; S754-H758 WeakPolarHBondContact O-CB 3.46Å; S754-H758 PolarHBondContact O-N 2.96Å
755V83.4Confident72.9Confident23 Ų2390.1 Ų90.114%0.13945%0.449CS..Hα-helixtrans-63.6-46.6169.2-174.10000110H740 C742 F749 N751 P752 I757 H758 Y759H740-V755 HydrophobicContact CB-CG2 3.62Å; H740-V755 VanDerWaalsContact O-CG2 3.28Å; H740-V755 WeakPolarHBondContact O-CG2 3.5Å; C742-V755 HydrophobicContact CB-CG1 4.46Å; F749-V755 HydrophobicContact CB-CG2 3.87Å; F749-V755 HydrophobicContact CD2-CG2 3.86Å; F749-V755 HydrophobicContact CG-CG2 4.18Å; N751-V755 PolarHBondContact O-N 3.09Å; P752-V755 WeakPolarHBondContact O-CB 3.29Å; P752-V755 PolarHBondContact O-N 3.3Å; V755-I757 PolarHBondContact O-N 3.45Å; V755-H758 PolarHBondContact O-N 2.78Å; V755-H758 VanDerWaalsContact O-N 3.14Å; V755-Y759 VanDerWaalsContact O-CB 3.27Å; V755-Y759 WeakPolarHBondContact O-CB 3.2Å; V755-Y759 PolarHBondContact O-N 2.84Å
756K75.3Confident72Confident151 Ų15194 Ų9466%0.65746%0.462SS*.Hα-helixtrans-60.6-42.8179.6-164.3167.1-174.5169.70112.2P752 Y753 Q760P752-K756 PolarHBondContact O-N 2.86Å; Y753-K756 PolarHBondContact O-N 3.11Å; K756-Q760 WeakPolarHBondContact O-CB 3.42Å; K756-Q760 PolarHBondContact O-N 3.31Å
757I76.8Confident71.7Confident70 Ų7094.2 Ų94.236%0.35945%0.454SS..Hα-helixtrans-63.9-44.5172.3-78.6-179.1000111.6Y753 V755 Q760 N761Y753-I757 HydrophobicContact CD1-CD1 3.85Å; Y753-I757 HydrophobicContact CE1-CD1 3.33Å; Y753-I757 HydrophobicContact CE1-CG1 4.21Å; Y753-I757 HydrophobicContact CE2-CD1 4.47Å; Y753-I757 WeakPolarHBondContact O-CB 3.48Å; Y753-I757 WeakPolarHBondContact O-CG1 3.41Å; Y753-I757 PolarHBondContact O-N 3.09Å; V755-I757 PolarHBondContact O-N 3.45Å; I757-Q760 PolarHBondContact O-N 2.94Å; I757-N761 WeakPolarHBondContact O-CB 3.45Å; I757-N761 PolarHBondContact O-N 3.06Å; I757-N761 PolarHBondContact O-ND2 3.27Å
758H80.1Confident71.7Confident14 Ų1489.8 Ų89.87%0.06544%0.435CS..Hα-helixtrans-63.9-47.3178.916059.9000111.6C742 C745 F749 S754 V755 N761 I762 H763C742-H758 VanDerWaalsContact CB-CD2 3.43Å; C742-H758 WeakPolarHBondContact CB-CD2 3.4Å; C742-H758 VanDerWaalsContact CB-NE2 3.31Å; C742-H758 WeakPolarHBondContact CB-NE2 3.47Å; C742-H758 VanDerWaalsContact SG-CD2 3.58Å; C742-H758 PolarHBondContact SG-NE2 3.24Å; C745-H758 PolarHBondContact SG-NE2 3.09Å; C745-H758 VanDerWaalsContact SG-NE2 3.43Å; F749-H758 HydrophobicContact CE1-CB 3.91Å; F749-H758 HydrophobicContact CE2-CB 4.06Å; F749-H758 AromaticContact CE2-CD2 3.32Å; F749-H758 WeakPolarHBondContact CE2-CD2 3.29Å; F749-H758 AromaticContact CE2-CG 3.67Å; F749-H758 AromaticContact CE2-NE2 3.93Å; F749-H758 HydrophobicContact CZ-CB 3.57Å; F749-H758 AromaticContact CZ-CD2 3.42Å; F749-H758 VanDerWaalsContact CZ-CD2 3.42Å; F749-H758 WeakPolarHBondContact CZ-CD2 3.31Å; F749-H758 AromaticContact CZ-CG 3.26Å; F749-H758 AromaticContact CZ-ND1 3.78Å; F749-H758 AromaticContact CZ-NE2 3.98Å; S754-H758 WeakPolarHBondContact O-CB 3.46Å; S754-H758 PolarHBondContact O-N 2.96Å; V755-H758 PolarHBondContact O-N 2.78Å; V755-H758 VanDerWaalsContact O-N 3.14Å; H758-N761 PolarHBondContact O-N 3.13Å; H758-I762 WeakPolarHBondContact ND1-CD1 3.34Å; H758-I762 WeakPolarHBondContact O-CB 3.5Å; H758-I762 PolarHBondContact O-N 2.86Å; H758-H763 AromaticContact CE1-CD2 3.98Å; H758-H763 AromaticContact CE1-NE2 3.67Å; H758-H763 AromaticContact NE2-CD2 3.84Å; H758-H763 AromaticContact NE2-NE2 3.57Å
759Y72.5Confident71.6Confident96 Ų9690.4 Ų90.438%0.37643%0.433SS..Iπ-helixtrans-55.8-51.8172.9-166.8-102.8000110I744 V755 N761 I762 H763 L764I744-Y759 HydrophobicContact CD1-CD2 4.36Å; I744-Y759 HydrophobicContact CD1-CE2 3.56Å; I744-Y759 HydrophobicContact CG1-CE2 4.23Å; V755-Y759 VanDerWaalsContact O-CB 3.27Å; V755-Y759 WeakPolarHBondContact O-CB 3.2Å; V755-Y759 PolarHBondContact O-N 2.84Å; Y759-N761 VanDerWaalsContact C-N 3.31Å; Y759-N761 PolarHBondContact O-N 2.87Å; Y759-I762 PolarHBondContact O-N 3.31Å; Y759-H763 HydrophobicContact CD2-CB 4.08Å; Y759-H763 HydrophobicContact CE2-CB 4.34Å; Y759-H763 HydrophobicContact CG-CB 4.47Å; Y759-H763 CarbonylContact O-C 3.53Å; Y759-H763 WeakPolarHBondContact O-CA 3.48Å; Y759-H763 WeakPolarHBondContact O-CB 3.4Å; Y759-H763 PolarHBondContact O-N 2.83Å; Y759-L764 HydrophobicContact CD1-CB 4.45Å; Y759-L764 HydrophobicContact CD1-CD1 4.05Å; Y759-L764 HydrophobicContact CE1-CD1 3.56Å; Y759-L764 PolarHBondContact O-N 3.02Å
760Q70.9Confident71.9Confident113 Ų11388.3 Ų88.353%0.52843%0.425SS..Iπ-helixtrans-62.3-31.9-179.9-166.7172.814.600114.1K756 I757 L764 K765K756-Q760 WeakPolarHBondContact O-CB 3.42Å; K756-Q760 PolarHBondContact O-N 3.31Å; I757-Q760 PolarHBondContact O-N 2.94Å; Q760-L764 HydrophobicContact CG-CD2 4.49Å; Q760-K765 PolarHBondContact O-N 3.27Å
761N66.1Low72.5Confident96 Ų9682.4 Ų82.451%0.51341%0.407SS..Iπ-helixtrans-95.1-22.2-177.3-77.1-82.8000115.1I757 H758 Y759I757-N761 WeakPolarHBondContact O-CB 3.45Å; I757-N761 PolarHBondContact O-N 3.06Å; I757-N761 PolarHBondContact O-ND2 3.27Å; H758-N761 PolarHBondContact O-N 3.13Å; Y759-N761 VanDerWaalsContact C-N 3.31Å; Y759-N761 PolarHBondContact O-N 2.87Å
762I65.2Low72.6Confident85 Ų8580.2 Ų80.244%0.43640%0.397SS..Iπ-helixtrans-115.5-29.8-174.1-56.7-159.4000112.8H758 Y759H758-I762 WeakPolarHBondContact ND1-CD1 3.34Å; H758-I762 WeakPolarHBondContact O-CB 3.5Å; H758-I762 PolarHBondContact O-N 2.86Å; Y759-I762 PolarHBondContact O-N 3.31Å
763H68.3Low72.3Confident33 Ų3384.1 Ų84.115%0.15341%0.413CS..Iπ-helixtrans-114-45.4-176.3-62.7-74.4000112.9I744 H758 Y759 K765I744-H763 HydrophobicContact CD1-CB 4.09Å; I744-H763 VanDerWaalsContact CG2-CE1 3.46Å; I744-H763 WeakPolarHBondContact CG2-CE1 3.31Å; I744-H763 WeakPolarHBondContact CG2-ND1 3.11Å; H758-H763 AromaticContact CE1-CD2 3.98Å; H758-H763 AromaticContact CE1-NE2 3.67Å; H758-H763 AromaticContact NE2-CD2 3.84Å; H758-H763 AromaticContact NE2-NE2 3.57Å; Y759-H763 HydrophobicContact CD2-CB 4.08Å; Y759-H763 HydrophobicContact CE2-CB 4.34Å; Y759-H763 HydrophobicContact CG-CB 4.47Å; Y759-H763 CarbonylContact O-C 3.53Å; Y759-H763 WeakPolarHBondContact O-CA 3.48Å; Y759-H763 WeakPolarHBondContact O-CB 3.4Å; Y759-H763 PolarHBondContact O-N 2.83Å; H763-K765 VanDerWaalsContact C-N 3.35Å
764L63.8Low72Confident110 Ų11079.4 Ų79.458%0.57641%0.412SS*.SBendtrans-82.2-10.8-179.7-145.192000113.8Y759 Q760 E766Y759-L764 HydrophobicContact CD1-CB 4.45Å; Y759-L764 HydrophobicContact CD1-CD1 4.05Å; Y759-L764 HydrophobicContact CE1-CD1 3.56Å; Y759-L764 PolarHBondContact O-N 3.02Å; Q760-L764 HydrophobicContact CG-CD2 4.49Å; L764-E766 VanDerWaalsContact C-N 3.3Å; L764-E766 PolarHBondContact O-N 3.27Å
765K54.1Low72.1Confident121 Ų12177.9 Ų77.953%0.52640%0.401SS..SBendtrans-79.881.7178.6-172.6179.6-179.6171.60110.1Q760 H763 M767Q760-K765 PolarHBondContact O-N 3.27Å; H763-K765 VanDerWaalsContact C-N 3.35Å; K765-M767 PolarHBondContact O-N 2.82Å
766E54.1Low71.7Confident123 Ų12383.7 Ų83.758%0.57543%0.432SS*.  trans26.378.9167.9-163.8-158.4144.600112.5L764 H768L764-E766 VanDerWaalsContact C-N 3.3Å; L764-E766 PolarHBondContact O-N 3.27Å; E766-H768 VanDerWaalsContact C-N 3.31Å; E766-H768 PolarHBondContact O-CD2 3.3Å; E766-H768 VanDerWaalsContact O-CG 3.25Å; E766-H768 PolarHBondContact O-N 3.28Å; E766-H768 PolarHBondContact O-NE2 2.8Å; E766-H768 IonicContact OE1-CE1 3.91Å; E766-H768 PolarHBondContact OE1-CE1 3.01Å; E766-H768 IonicContact OE1-CG 3.21Å; E766-H768 IonicContact OE1-ND1 3.93Å; E766-H768 PolarHBondContact OE1-ND1 3.37Å; E766-H768 IonicContact OE2-CE1 3.16Å; E766-H768 PolarHBondContact OE2-CE1 3.36Å; E766-H768 VanDerWaalsContact OE2-CE1 3.24Å; E766-H768 IonicContact OE2-ND1 2.72Å
767M62.8Low71.8Confident97 Ų9778 Ų7848%0.47841%0.412SS..  trans-64.393.4178.3-71.9-174.560.400109.3K765 M769 A778K765-M767 PolarHBondContact O-N 2.82Å; M767-M769 PolarHBondContact O-N 2.73Å; M767-A778 HydrophobicContact CB-CB 4.31Å; M767-A778 HydrophobicContact CE-CB 3.92Å
768H74.1Confident71.9Confident22 Ų2276.5 Ų76.510%0.10241%0.411CS..EExtended strand (participates in β ladder)trans-69.898.5-171.2-46.8-90.1000109.4E766 F779 R782 R785E766-H768 VanDerWaalsContact C-N 3.31Å; E766-H768 PolarHBondContact O-CD2 3.3Å; E766-H768 VanDerWaalsContact O-CG 3.25Å; E766-H768 PolarHBondContact O-N 3.28Å; E766-H768 PolarHBondContact O-NE2 2.8Å; E766-H768 IonicContact OE1-CE1 3.91Å; E766-H768 PolarHBondContact OE1-CE1 3.01Å; E766-H768 IonicContact OE1-CG 3.21Å; E766-H768 IonicContact OE1-ND1 3.93Å; E766-H768 PolarHBondContact OE1-ND1 3.37Å; E766-H768 IonicContact OE2-CE1 3.16Å; E766-H768 PolarHBondContact OE2-CE1 3.36Å; E766-H768 VanDerWaalsContact OE2-CE1 3.24Å; E766-H768 IonicContact OE2-ND1 2.72Å; H768-F779 PolarHBondContact N-O 3.16Å; H768-F779 VanDerWaalsContact N-O 3.07Å; H768-F779 PolarHBondContact O-N 2.99Å; H768-F779 VanDerWaalsContact O-N 3.09Å; H768-R782 PolarHBondContact CD2-N 2.84Å; H768-R782 PolarHBondContact NE2-N 3.04Å; H768-R785 HydrophobicContact CB-CB 4.14Å; H768-R785 HydrophobicContact CB-CG 4.49Å
769M74.9Confident71.8Confident116 Ų11678 Ų7857%0.57142%0.417SS*.EExtended strand (participates in β ladder)trans-61.2148.6174.9-66.1175.666.400110.9M767 A777 A778 R785M767-M769 PolarHBondContact O-N 2.73Å; M769-A777 CarbonylContact C-O 3.5Å; M769-A778 HydrophobicContact CG-CB 4.05Å; M769-R785 WeakPolarHBondContact O-CD 3.46Å; M769-R785 WeakPolarHBondContact O-CG 3.48Å
770C84Confident71.8Confident15 Ų1577.7 Ų77.710%0.10143%0.427CS..  trans-57.3138.2174.9-164.20000110.9V772 C775 A777 H788 H795C770-V772 PolarHBondContact O-N 3.38Å; C770-C775 HydrophobicContact CB-CB 3.88Å; C770-C775 WeakPolarHBondContact CB-O 3.09Å; C770-A777 PolarHBondContact N-O 2.9Å; C770-H788 VanDerWaalsContact SG-CD2 3.51Å; C770-H795 VanDerWaalsContact SG-CE1 3.52Å
771T81.4Confident72Confident91 Ų9174.7 Ų74.756%0.55842%0.418SS*.SBendtrans-93.343.3177.159.20000110.8
772V80.6Confident72.5Confident32 Ų3277.2 Ų77.219%0.19442%0.421CS..SBendtrans-134.4125.9178.8-178.40000106.7C770 C775 H795C770-V772 PolarHBondContact O-N 3.38Å; V772-C775 HydrophobicContact CB-CB 4.17Å; V772-C775 WeakPolarHBondContact O-CB 3.49Å; V772-C775 PolarHBondContact O-N 2.83Å; V772-H795 HydrophobicContact CG1-CB 4.01Å
773D68.3Low73.2Confident154 Ų15483.4 Ų83.482%0.82444%0.439SS*.THydrogen-bonded Turntrans-61.1142.1-173.6-58.6-54000111.8C775D773-C775 PolarHBondContact O-N 2.88Å
774G73.8Confident73.7Confident57 Ų5783 Ų8359%0.58844%0.439SS*.THydrogen-bonded Turntrans73.8-5.3-170.300000115.7N776G774-N776 PolarHBondContact O-N 3.07Å
775C83.5Confident74.8Confident16 Ų1679.6 Ų79.611%0.10842%0.419CS..  trans-97.389.8-176-165.10000113.8C770 V772 D773 A777 H788 H795 L798C770-C775 HydrophobicContact CB-CB 3.88Å; C770-C775 WeakPolarHBondContact CB-O 3.09Å; V772-C775 HydrophobicContact CB-CB 4.17Å; V772-C775 WeakPolarHBondContact O-CB 3.49Å; V772-C775 PolarHBondContact O-N 2.83Å; D773-C775 PolarHBondContact O-N 2.88Å; C775-A777 PolarHBondContact O-N 3.39Å; C775-H788 PolarHBondContact SG-NE2 2.87Å; C775-H788 VanDerWaalsContact SG-NE2 3.44Å; C775-H795 PolarHBondContact SG-CE1 3.3Å; C775-L798 HydrophobicContact CB-CD1 3.92Å
776N75.4Confident76.1Confident146 Ų14676.9 Ų76.978%0.78141%0.41SS*.  trans-73.318.7-179.7-64.4-23.4000115.4G774G774-N776 PolarHBondContact O-N 3.07Å
777A78.1Confident77.6Confident30 Ų3080.1 Ų80.125%0.24842%0.417CS..  trans-81.3122.1-178.600000111.9M769 C770 C775 F779 H788M769-A777 CarbonylContact C-O 3.5Å; C770-A777 PolarHBondContact N-O 2.9Å; C775-A777 PolarHBondContact O-N 3.39Å; A777-F779 HydrophobicContact CB-CE2 3.73Å; A777-F779 HydrophobicContact CB-CZ 3.89Å; A777-F779 WeakPolarHBondContact O-CE2 3.46Å; A777-H788 WeakPolarHBondContact CB-NE2 3.16Å
778A78.2Confident78.7Confident39 Ų3977.1 Ų77.132%0.32240%0.402SS..EExtended strand (participates in β ladder)trans-117141.1-17700000113M767 M769M767-A778 HydrophobicContact CB-CB 4.31Å; M767-A778 HydrophobicContact CE-CB 3.92Å; M769-A778 HydrophobicContact CG-CB 4.05Å
779F77.3Confident79.1Confident45 Ų4577.2 Ų77.220%0.19741%0.405CS..EExtended strand (participates in β ladder)trans-129.3134-166.8-61.9-87000113.8H768 A777 S781 R785 H788H768-F779 PolarHBondContact N-O 3.16Å; H768-F779 VanDerWaalsContact N-O 3.07Å; H768-F779 PolarHBondContact O-N 2.99Å; H768-F779 VanDerWaalsContact O-N 3.09Å; A777-F779 HydrophobicContact CB-CE2 3.73Å; A777-F779 HydrophobicContact CB-CZ 3.89Å; A777-F779 WeakPolarHBondContact O-CE2 3.46Å; F779-S781 PolarHBondContact O-N 2.69Å; F779-R785 HydrophobicContact CB-CB 4.2Å; F779-R785 HydrophobicContact CD2-CB 3.91Å; F779-R785 HydrophobicContact CD2-CG 4.33Å; F779-R785 HydrophobicContact CG-CB 4.31Å; F779-H788 HydrophobicContact CE1-CB 4.31Å; F779-H788 HydrophobicContact CE2-CB 3.98Å; F779-H788 AromaticContact CE2-CD2 3.29Å; F779-H788 WeakPolarHBondContact CE2-CD2 3.37Å; F779-H788 AromaticContact CE2-CG 3.7Å; F779-H788 AromaticContact CE2-NE2 3.95Å; F779-H788 HydrophobicContact CZ-CB 3.71Å; F779-H788 AromaticContact CZ-CD2 3.38Å; F779-H788 WeakPolarHBondContact CZ-CD2 3.29Å; F779-H788 AromaticContact CZ-CG 3.37Å; F779-H788 AromaticContact CZ-ND1 3.86Å; F779-H788 AromaticContact CZ-NE2 3.85Å
780P73.6Confident79.4Confident90 Ų9075.7 Ų75.758%0.58441%0.411SS*.SBendtrans-65.28.1175.6-23.734.6000116.8
781S74.1Confident79.2Confident50 Ų5077.6 Ų77.635%0.3542%0.42SS..SBendtrans-157.6143.1169.1880000112.3F779 R783 S784 R785F779-S781 PolarHBondContact O-N 2.69Å; S781-R783 VanDerWaalsContact C-N 3.27Å; S781-R783 PolarHBondContact O-N 2.93Å; S781-S784 PolarHBondContact N-OG 2.95Å; S781-S784 PolarHBondContact O-N 3.38Å; S781-S784 PolarHBondContact O-OG 3.4Å; S781-S784 PolarHBondContact OG-N 3.04Å; S781-S784 PolarHBondContact OG-OG 3.15Å; S781-R785 PolarHBondContact O-N 3.5Å; S781-R785 VanDerWaalsContact O-N 3.16Å
782R77.6Confident78.8Confident149 Ų14979.2 Ų79.256%0.56242%0.424SS*.Hα-helixtrans-53.8-43.5178.8-162.6163.9169.6160.2-3.2111.5H768 S784 R785 D786H768-R782 PolarHBondContact CD2-N 2.84Å; H768-R782 PolarHBondContact NE2-N 3.04Å; R782-S784 VanDerWaalsContact C-N 3.32Å; R782-S784 PolarHBondContact O-N 2.88Å; R782-R785 CarbonylContact O-C 3.58Å; R782-R785 WeakPolarHBondContact O-CA 3.47Å; R782-R785 WeakPolarHBondContact O-CB 3.13Å; R782-R785 PolarHBondContact O-N 3.27Å; R782-R785 VanDerWaalsContact O-N 3.09Å; R782-D786 PolarHBondContact O-N 3.29Å; R782-D786 VanDerWaalsContact O-OD2 3.05Å
783R78.7Confident78.5Confident216 Ų21683.9 Ų83.982%0.81545%0.448SS*.Hα-helixtrans-63.3-29.3177.1-59.6-173-167.7-177.65.8114.8S781 R787S781-R783 VanDerWaalsContact C-N 3.27Å; S781-R783 PolarHBondContact O-N 2.93Å; R783-R787 WeakPolarHBondContact O-CB 3.27Å; R783-R787 PolarHBondContact O-N 3.44Å
784S79.1Confident78.8Confident24 Ų2481.1 Ų81.117%0.16843%0.433CS..Hα-helixtrans-74.7-38.9173.328.80000111.7S781 R782 H788S781-S784 PolarHBondContact N-OG 2.95Å; S781-S784 PolarHBondContact O-N 3.38Å; S781-S784 PolarHBondContact O-OG 3.4Å; S781-S784 PolarHBondContact OG-N 3.04Å; S781-S784 PolarHBondContact OG-OG 3.15Å; R782-S784 VanDerWaalsContact C-N 3.32Å; R782-S784 PolarHBondContact O-N 2.88Å; S784-H788 PolarHBondContact O-N 3.44Å
785R86.7Confident79.1Confident39 Ų3978.5 Ų78.515%0.14741%0.405CS..Hα-helixtrans-61.2-53.3170.5178.6-157.464.5168.610.7111.2H768 M769 F779 S781 R782 R787 H788 S789H768-R785 HydrophobicContact CB-CB 4.14Å; H768-R785 HydrophobicContact CB-CG 4.49Å; M769-R785 WeakPolarHBondContact O-CD 3.46Å; M769-R785 WeakPolarHBondContact O-CG 3.48Å; F779-R785 HydrophobicContact CB-CB 4.2Å; F779-R785 HydrophobicContact CD2-CB 3.91Å; F779-R785 HydrophobicContact CD2-CG 4.33Å; F779-R785 HydrophobicContact CG-CB 4.31Å; S781-R785 PolarHBondContact O-N 3.5Å; S781-R785 VanDerWaalsContact O-N 3.16Å; R782-R785 CarbonylContact O-C 3.58Å; R782-R785 WeakPolarHBondContact O-CA 3.47Å; R782-R785 WeakPolarHBondContact O-CB 3.13Å; R782-R785 PolarHBondContact O-N 3.27Å; R782-R785 VanDerWaalsContact O-N 3.09Å; R785-R787 PolarHBondContact O-N 3.44Å; R785-H788 CarbonylContact O-C 3.19Å; R785-H788 WeakPolarHBondContact O-CA 3.21Å; R785-H788 WeakPolarHBondContact O-CB 3.33Å; R785-H788 PolarHBondContact O-N 3.07Å; R785-S789 PolarHBondContact O-N 2.97Å; R785-S789 PolarHBondContact O-OG 3.28Å
786D82.5Confident78.2Confident63 Ų6383 Ų8334%0.33743%0.425SS..Hα-helixtrans-60.7-32.5-174.1-54.2-26.9000111.7R782 H788 S789 A790R782-D786 PolarHBondContact O-N 3.29Å; R782-D786 VanDerWaalsContact O-OD2 3.05Å; D786-H788 VanDerWaalsContact C-N 3.34Å; D786-S789 PolarHBondContact O-OG 2.79Å; D786-A790 WeakPolarHBondContact O-CB 3.41Å; D786-A790 PolarHBondContact O-N 2.88Å
787R84.8Confident77.5Confident192 Ų19285 Ų8573%0.72543%0.427SS*.Hα-helixtrans-73.4-22.6172.6-176.2178.963.2177.8-0.6113.5R783 R785R783-R787 WeakPolarHBondContact O-CB 3.27Å; R783-R787 PolarHBondContact O-N 3.44Å; R785-R787 PolarHBondContact O-N 3.44Å
788H86.1Confident76.5Confident33 Ų3387 Ų8715%0.15343%0.432CS..Hα-helixtrans-89.7-45178.6171.575.2000111.8C770 C775 A777 F779 S784 R785 D786 A790 N791 L794 H795C770-H788 VanDerWaalsContact SG-CD2 3.51Å; C775-H788 PolarHBondContact SG-NE2 2.87Å; C775-H788 VanDerWaalsContact SG-NE2 3.44Å; A777-H788 WeakPolarHBondContact CB-NE2 3.16Å; F779-H788 HydrophobicContact CE1-CB 4.31Å; F779-H788 HydrophobicContact CE2-CB 3.98Å; F779-H788 AromaticContact CE2-CD2 3.29Å; F779-H788 WeakPolarHBondContact CE2-CD2 3.37Å; F779-H788 AromaticContact CE2-CG 3.7Å; F779-H788 AromaticContact CE2-NE2 3.95Å; F779-H788 HydrophobicContact CZ-CB 3.71Å; F779-H788 AromaticContact CZ-CD2 3.38Å; F779-H788 WeakPolarHBondContact CZ-CD2 3.29Å; F779-H788 AromaticContact CZ-CG 3.37Å; F779-H788 AromaticContact CZ-ND1 3.86Å; F779-H788 AromaticContact CZ-NE2 3.85Å; S784-H788 PolarHBondContact O-N 3.44Å; R785-H788 CarbonylContact O-C 3.19Å; R785-H788 WeakPolarHBondContact O-CA 3.21Å; R785-H788 WeakPolarHBondContact O-CB 3.33Å; R785-H788 PolarHBondContact O-N 3.07Å; D786-H788 VanDerWaalsContact C-N 3.34Å; H788-A790 VanDerWaalsContact C-N 3.32Å; H788-A790 PolarHBondContact O-N 3.46Å; H788-N791 PolarHBondContact O-N 2.95Å; H788-N791 VanDerWaalsContact O-N 3.12Å; H788-L794 VanDerWaalsContact ND1-CD1 3.33Å; H788-L794 WeakPolarHBondContact ND1-CD1 3.14Å; H788-H795 AromaticContact CD2-CE1 3.9Å; H788-H795 AromaticContact CE1-CE1 3.83Å; H788-H795 AromaticContact NE2-CE1 3.44Å; H788-H795 PolarHBondContact NE2-CE1 3.03Å; H788-H795 PolarHBondContact O-NE2 2.84Å
789S81.8Confident75.4Confident24 Ų2490.1 Ų90.117%0.16844%0.443CS..Hα-helixtrans-62.9-37.3173.654.30000112R785 D786 N791R785-S789 PolarHBondContact O-N 2.97Å; R785-S789 PolarHBondContact O-OG 3.28Å; D786-S789 PolarHBondContact O-OG 2.79Å; S789-N791 PolarHBondContact O-N 3.24Å; S789-N791 VanDerWaalsContact O-N 3.11Å
790A81.4Confident74.2Confident84 Ų8492.4 Ų92.469%0.69446%0.461SS*.THydrogen-bonded Turntrans-69.70.1174.100000115.3D786 H788D786-A790 WeakPolarHBondContact O-CB 3.41Å; D786-A790 PolarHBondContact O-N 2.88Å; H788-A790 VanDerWaalsContact C-N 3.32Å; H788-A790 PolarHBondContact O-N 3.46Å
791N79.6Confident72.8Confident56 Ų5696.3 Ų96.330%0.29947%0.469SS..  trans-107.984.7179.2-170.3-0.6000111.8H788 S789 N793 L794 H795H788-N791 PolarHBondContact O-N 2.95Å; H788-N791 VanDerWaalsContact O-N 3.12Å; S789-N791 PolarHBondContact O-N 3.24Å; S789-N791 VanDerWaalsContact O-N 3.11Å; N791-N793 PolarHBondContact O-N 2.8Å; N791-N793 WeakPolarHBondContact OD1-CB 3.22Å; N791-N793 PolarHBondContact OD1-N 3.45Å; N791-N793 PolarHBondContact OD1-ND2 3.4Å; N791-L794 HydrophobicContact CB-CD1 4.12Å; N791-L794 HydrophobicContact CB-CG 4.26Å; N791-L794 PolarHBondContact O-N 2.58Å; N791-H795 PolarHBondContact O-CD2 2.85Å; N791-H795 VanDerWaalsContact O-CD2 3.31Å
792L73.3Confident71Confident124 Ų124100.5 Ų100.565%0.64949%0.488SS*.Hα-helixtrans-48.9-33.4178.4-70.9167.1000113.7L794 H795 H796L792-L794 PolarHBondContact O-N 3.37Å; L792-L794 VanDerWaalsContact O-N 3.15Å; L792-H795 CarbonylContact O-C 3.36Å; L792-H795 PolarHBondContact O-N 2.8Å; L792-H796 WeakPolarHBondContact O-CB 3.39Å; L792-H796 PolarHBondContact O-N 2.79Å
793N75.8Confident68.8Low130 Ų13098.4 Ų98.470%0.69550%0.495SS*.Hα-helixtrans-61.7-23.2179-52.1-85.3000113.8N791N791-N793 PolarHBondContact O-N 2.8Å; N791-N793 WeakPolarHBondContact OD1-CB 3.22Å; N791-N793 PolarHBondContact OD1-N 3.45Å; N791-N793 PolarHBondContact OD1-ND2 3.4Å
794L74.5Confident66.9Low96 Ų9694.1 Ų94.150%0.50350%0.496SS..Hα-helixtrans-84.1-29.3175.8-60.1179.2000112.1H788 N791 L792H788-L794 VanDerWaalsContact ND1-CD1 3.33Å; H788-L794 WeakPolarHBondContact ND1-CD1 3.14Å; N791-L794 HydrophobicContact CB-CD1 4.12Å; N791-L794 HydrophobicContact CB-CG 4.26Å; N791-L794 PolarHBondContact O-N 2.58Å; L792-L794 PolarHBondContact O-N 3.37Å; L792-L794 VanDerWaalsContact O-N 3.15Å
795H78.3Confident64.4Low2 Ų298.7 Ų98.71%0.00953%0.528CS..Hα-helixtrans-92.9-13.9-179.7-53-59.1000113C770 V772 C775 H788 N791 L792 K797 L798 L799C770-H795 VanDerWaalsContact SG-CE1 3.52Å; V772-H795 HydrophobicContact CG1-CB 4.01Å; C775-H795 PolarHBondContact SG-CE1 3.3Å; H788-H795 AromaticContact CD2-CE1 3.9Å; H788-H795 AromaticContact CE1-CE1 3.83Å; H788-H795 AromaticContact NE2-CE1 3.44Å; H788-H795 PolarHBondContact NE2-CE1 3.03Å; H788-H795 PolarHBondContact O-NE2 2.84Å; N791-H795 PolarHBondContact O-CD2 2.85Å; N791-H795 VanDerWaalsContact O-CD2 3.31Å; L792-H795 CarbonylContact O-C 3.36Å; L792-H795 PolarHBondContact O-N 2.8Å; H795-K797 PolarHBondContact O-N 2.92Å; H795-L798 WeakPolarHBondContact O-CA 3.49Å; H795-L798 WeakPolarHBondContact O-CB 3.46Å; H795-L798 PolarHBondContact O-N 3.04Å; H795-L799 HydrophobicContact CB-CD1 4.2Å; H795-L799 PolarHBondContact O-N 3.41Å
796H65.4Low61.8Low112 Ų112103.2 Ų103.252%0.51956%0.56SS.*Hα-helixtrans-56.2-27-179.2-158.8-51.8000113.4L792 T800L792-H796 WeakPolarHBondContact O-CB 3.39Å; L792-H796 PolarHBondContact O-N 2.79Å; H796-T800 VanDerWaalsContact CE1-CG2 3.4Å; H796-T800 WeakPolarHBondContact CE1-CG2 3.29Å; H796-T800 VanDerWaalsContact ND1-CG2 3.29Å; H796-T800 WeakPolarHBondContact ND1-CG2 3.37Å; H796-T800 VanDerWaalsContact O-CG2 3.31Å; H796-T800 WeakPolarHBondContact O-CG2 3.42Å; H796-T800 PolarHBondContact O-N 3.32Å; H796-T800 PolarHBondContact O-OG1 3.14Å
797K60Low59.4Low188 Ų188104.9 Ų104.982%0.81758%0.582SS**Hα-helixtrans-79-15.2175.3-73.6-165.7173.2-167.90114.8H795H795-K797 PolarHBondContact O-N 2.92Å
798L58.8Low56.6Low70 Ų70100.9 Ų100.937%0.36659%0.59SS.*Hα-helixtrans-89.1-51.4171.9-58.3169.5000108.4C775 H795 T800 K801C775-L798 HydrophobicContact CB-CD1 3.92Å; H795-L798 WeakPolarHBondContact O-CA 3.49Å; H795-L798 WeakPolarHBondContact O-CB 3.46Å; H795-L798 PolarHBondContact O-N 3.04Å; L798-T800 PolarHBondContact O-N 3.42Å; L798-T800 VanDerWaalsContact O-N 3.13Å; L798-K801 PolarHBondContact O-N 2.88Å
799L55.2Low53.8Low105 Ų105104.6 Ų104.655%0.5562%0.62SS.*Hα-helixtrans-62.9-19.6-177.4-64.8169.1000115H795H795-L799 HydrophobicContact CB-CD1 4.2Å; H795-L799 PolarHBondContact O-N 3.41Å
800T51.3Low52.3Low94 Ų94108.1 Ų108.158%0.57764%0.643SS**THydrogen-bonded Turntrans-92.78.317557.30000114.6H796 L798H796-T800 VanDerWaalsContact CE1-CG2 3.4Å; H796-T800 WeakPolarHBondContact CE1-CG2 3.29Å; H796-T800 VanDerWaalsContact ND1-CG2 3.29Å; H796-T800 WeakPolarHBondContact ND1-CG2 3.37Å; H796-T800 VanDerWaalsContact O-CG2 3.31Å; H796-T800 WeakPolarHBondContact O-CG2 3.42Å; H796-T800 PolarHBondContact O-N 3.32Å; H796-T800 PolarHBondContact O-OG1 3.14Å; L798-T800 PolarHBondContact O-N 3.42Å; L798-T800 VanDerWaalsContact O-N 3.13Å
801K44.9Very low49.6Very low171 Ų171114.7 Ų114.774%0.74365%0.651SS**SBendtrans-91.7-25.6177-161.8174.1178.4-1710113.4L798L798-K801 PolarHBondContact O-N 2.88Å
802D36.3Very low47Very low139 Ų139117.4 Ų117.474%0.74367%0.674SS**SBendtrans-108.678.7-169.9-58.9-44.5000112.7
803S29.5Very low45.1Very low104 Ų104116.9 Ų116.973%0.72768%0.678SS**  trans-176.3134.115526.70000108.4
804P39.8Very low42.9Very low127 Ų127115.4 Ų115.483%0.82568%0.678SS**  -147.3178.377.641-24.5000116.8
805S26Very low40.6Very low119 Ų119118.5 Ų118.583%0.83269%0.69SS**  trans95.3159.1160.9-147.80000118.2
806T31.7Very low38Very low134 Ų134127.1 Ų127.182%0.82272%0.722SS**  trans-153.2155-164.1-66.10000110.7
807A32.1Very low36.2Very low98 Ų98130.3 Ų130.381%0.8173%0.73SS**  trans77.796.1169.900000118.8
808A27.6Very low34.6Very low108 Ų108126.4 Ų126.489%0.89372%0.718SS**  trans-167156.9134.700000110.7
809S26.1Very low33.2Very low112 Ų112133 Ų13378%0.78374%0.738SS**  trans-167.5155174.6-169.70000108
810P51Low31.8Very low98 Ų98133.2 Ų133.264%0.63674%0.74SS**  cis-124.2-157.44.235.6-15.5000113.6
811Y24.3Very low30.7Very low221 Ų221134.1 Ų134.187%0.86775%0.75SS**  trans97143.7170.3-62.5-75.1000119.4
812S25.3Very low29.9Very low113 Ų113135.2 Ų135.279%0.7976%0.758SS**  trans-130.7168.4176.9-73.60000106.7
813P33.1Very low29.5Very low114 Ų114132.1 Ų132.174%0.7476%0.759SS**  cis-146.3167.627.443.6-23.9000119.4
814S28.8Very low29.4Very low99 Ų99135.1 Ų135.169%0.69277%0.766SS**  trans24.2129148.763.50000123.8
815H27.9Very low28.8Very low160 Ų160136.7 Ų136.774%0.74176%0.762SS**  trans-147-179.5130.6-146.8-106.5000112.5
816W22.6Very low29.2Very low183 Ų183133.7 Ų133.769%0.69374%0.74SS**  trans-124.2147.1-148.4-69.186.5000118
817R28.8Very low29.1Very low179 Ų179128.8 Ų128.868%0.67572%0.715SS**  trans63.8169144.4-56.5-97.8-75.6-76.4-6.4117.1
818D25.9Very low29.1Very low107 Ų107127.4 Ų127.457%0.57269%0.692SS**  cis-153136.8-16.2-112.1-24.8000104.7
819R29.5Very low28.9Very low207 Ų207128.4 Ų128.478%0.78168%0.683SS**  90.3120.282.3-168171.7-177.7-162.2-11117.7
820D26.1Very low29.2Very low110 Ų110129.1 Ų129.159%0.58867%0.674SS**  trans58.9125157.6-57.4-5000124.6
821S27.9Very low28.1Very low113 Ų113131.6 Ų131.679%0.7968%0.677SS**  trans49.7148.2132.9-530000123.1
822E28Very low28.2Very low195 Ų195125.9 Ų125.991%0.91166%0.661SS**  cis-149.8174.710.6-63.7-172.2151.700112.3
823G27.4Very low28.3Very low74 Ų74128 Ų12876%0.76366%0.656SS**  trans123.195.6140.100000123.4
824L28.2Very low27.9Very low167 Ų167129 Ų12987%0.87466%0.655SS**  trans41.6116.7141.6-69.5160.4000125
825E26Very low28Very low159 Ų159129 Ų12974%0.74366%0.661SS**  25.3155.2122.4-68.7-57.9119.200122.7
826P35Very low27.9Very low57 Ų57129.6 Ų129.637%0.3767%0.669SS.*  cis-126.8-142.930.98.520.2000118.7D247 S248 I249D247-P826 VanDerWaalsContact C-CG 3.48Å; D247-P826 WeakPolarHBondContact O-CD 3.4Å; D247-P826 WeakPolarHBondContact O-CG 3.31Å; S248-P826 CarbonylContact C-O 3.52Å; I249-P826 PolarHBondContact N-O 2.76Å
827G30.2Very low28.3Very low30 Ų30129 Ų12931%0.30967%0.674SS.*  trans-134.2-146.9-169.800000119.6D247 S248D247-G827 CarbonylContact C-O 3.58Å; D247-G827 WeakPolarHBondContact CA-O 3.47Å; S248-G827 VanDerWaalsContact CA-O 3.3Å; S248-G827 WeakPolarHBondContact CA-O 3.39Å; S248-G827 PolarHBondContact N-O 3.3Å; S248-G827 PolarHBondContact OG-O 3.18Å
828Q31Very low28.2Very low70 Ų70131.6 Ų131.633%0.32768%0.683SS.*  trans80.9163.2171.1-51.8-158.61.500121D247D247-Q828 WeakPolarHBondContact OD1-CB 3.12Å; D247-Q828 PolarHBondContact OD1-OE1 2.86Å
829N24.8Very low28.1Very low129 Ų129133.3 Ų133.369%0.6969%0.693SS**  cis-167.9175.6-46.8-154.6-2.5000111.1
830Q30.8Very low28.9Very low127 Ų127128 Ų12859%0.59369%0.685SS**  trans100.3113.3178.8-58.2-22.9103.900114.9
831Q29.5Very low28.9Very low150 Ų150128.2 Ų128.270%0.70169%0.691SS**  84.614681.3-87.7-168.1-68.500114.2
832D26.2Very low29Very low101 Ų101127.5 Ų127.554%0.5469%0.685SS.*  cis-154.5168.715.5-147.712.4000114.8
833K26.8Very low29.3Very low156 Ų156126.4 Ų126.468%0.67868%0.68SS**  trans84.3133148.7-83177.9-179.774.20126.4
834D25.6Very low29.2Very low135 Ų135128.5 Ų128.572%0.72268%0.678SS**  trans81.669.2135-56.6-18.1000124.2
835A29.9Very low29.2Very low100 Ų100125.5 Ų125.583%0.82667%0.671SS**  17.3141125.300000123.8
836L26.1Very low29.3Very low172 Ų172124 Ų12490%0.90167%0.673SS**  -154152126-115.5174.5000113.5
837H31.6Very low29Very low172 Ų172128.2 Ų128.280%0.79669%0.691SS**  trans-46.6157.7-178.4-97.4-127.6000116
838R26Very low28.9Very low232 Ų232135.9 Ų135.988%0.87572%0.716SS**  cis-163.1152.546.8-154.3-177.4-170.2-178.54.3113.7
839D22.6Very low28.7Very low143 Ų143144.1 Ų144.177%0.76574%0.744SS**  trans-121.4-172.8176.2-147.829.1000108.7
840P48.1Very low28.7Very low96 Ų96141 Ų14162%0.62374%0.743SS**  cis-1401741.437.3-15.4000118.3
841T26.2Very low28.5Very low115 Ų115143.2 Ų143.271%0.70675%0.752SS**  148.588118.4-50.60000115.1
842S29.8Very low28.3Very low97 Ų97141.4 Ų141.468%0.67875%0.748SS**  44.3124.5126.7-56.50000124.6
843Q33.1Very low28.6Very low172 Ų172143.5 Ų143.580%0.80475%0.754SS**  94.6102123.3-78.5-178.58.900123.9
844T26.5Very low28.6Very low118 Ų118144.6 Ų144.672%0.72476%0.764SS**  61.6103.2125.153.60000123.4
845S27.8Very low28.6Very low104 Ų104141.4 Ų141.473%0.72776%0.763SS**  101.2146.6101.980.70000123.5
846V26.8Very low28.5Very low128 Ų128144.9 Ų144.978%0.77677%0.766SS**  trans77.2140.4158-135.30000122.2
847I29.7Very low28.5Very low146 Ų146143.2 Ų143.275%0.74976%0.763SS**  trans97.4112155-51.6-174.3000120.9
848F27.5Very low28.6Very low190 Ų190144.4 Ų144.483%0.83377%0.767SS**  trans7.4150.8145.6-73.3-94.4000125.2
849R27.8Very low29.5Very low244 Ų244139 Ų13992%0.92176%0.761SS**  trans70.7145.4159.9-72.8171.3162-179.7-6.7116.3
850G24Very low29.6Very low64 Ų64140.4 Ų140.466%0.6677%0.765SS**  cis147.5151.7-11.100000114.4
851H26Very low28.7Very low172 Ų172140 Ų14080%0.79677%0.765SS**  trans87.5128.8172.6-67.789.7000120.7
852N26.6Very low28.6Very low113 Ų113144.3 Ų144.360%0.60477%0.774SS**  trans88109.8130.9-69.96.6000124.9
853H32Very low28.5Very low144 Ų144143.7 Ų143.767%0.66777%0.774SS**  79.9111.7127.8-53.6-36.2000123.7
854M27.5Very low29.2Very low180 Ų180141.4 Ų141.489%0.88777%0.774SS**  trans58.8144.6134.779.4177.465.500124
855G24.9Very low29.3Very low68 Ų68139.9 Ų139.970%0.70177%0.774SS**  trans155.876.7153.200000121.3
856L28.8Very low29.2Very low172 Ų172139.3 Ų139.390%0.90178%0.776SS**  trans57.4174.4152.3-51.9178.7000117.7
857V25Very low29.1Very low138 Ų138140.8 Ų140.884%0.83678%0.778SS**  cis-147165.114.2-153.40000110.8
858F33.3Very low28.9Very low197 Ų197144.4 Ų144.486%0.86478%0.783SS**  trans-95.9158.5168.1-88.2-77.9000112.6
859P45Very low28.9Very low117 Ų117141 Ų14176%0.7678%0.782SS**  -154.1164.7101.439.8-21.3000118.6
860M25.5Very low29Very low173 Ų173133.1 Ų133.185%0.85277%0.769SS**  trans4.1159.9143-68.51777100122.2
861S29.4Very low29.1Very low88 Ų88137.9 Ų137.962%0.61577%0.774SS**  cis178.5162.2-10.757.70000111.7
862K24Very low29.1Very low205 Ų205136 Ų13689%0.89178%0.775SS**  trans-173.7165.4144.4-136.375178.9-173.20114.2
863A28.3Very low29Very low84 Ų84136 Ų13669%0.69478%0.784SS**  trans-141-164176.500000108.5
864P47.3Very low29.5Very low124 Ų124134 Ų13481%0.80578%0.784SS**  cis-123.9-138.5-4.227.31000111.4
865A27.5Very low29.5Very low87 Ų87132.4 Ų132.472%0.71978%0.778SS**  cis-167.8165.98.500000115.9
866A25.9Very low29.6Very low92 Ų92137.4 Ų137.476%0.7678%0.783SS**  trans76.5119.9139.500000126
867L24.5Very low29.4Very low159 Ų159137.1 Ų137.183%0.83278%0.777SS**  trans90.8124.7132.1-97.1160.3000124.9
868R26.3Very low29.7Very low222 Ų222136.4 Ų136.484%0.83877%0.768SS**  trans96.4114.1154.6-65.4-156.2165.8-145.4-6.4122
869S27.3Very low29.5Very low117 Ų117135.5 Ų135.582%0.81877%0.767SS**  27143.6119.9-49.70000120.5
870A29.8Very low28.6Very low79 Ų79133.5 Ų133.565%0.65377%0.768SS**  cis-154-172.2-1.100000108.2
871E26Very low28.7Very low164 Ų164134 Ų13477%0.76677%0.773SS**  cis-165.1168.446.4-79.8-63.3164.100112.5
872T26.1Very low28.5Very low132 Ų132133.6 Ų133.681%0.8178%0.782SS**  trans60.4111.7160480000121.5
873S24.2Very low28.8Very low113 Ų113133.3 Ų133.379%0.7978%0.784SS**  trans-87.8-175155-139.10000109.5
874P42.9Very low28.9Very low104 Ų104133.9 Ų133.968%0.67579%0.789SS**  cis-149.4155.843.541.6-20.4000120
875L27.4Very low28.1Very low145 Ų145136.4 Ų136.476%0.75980%0.795SS**  trans64.4148.1143.6-68.9165.9000119.6
876Q26.7Very low28Very low173 Ų173135.4 Ų135.481%0.80879%0.794SS**  cis-134.9127.47-171.1151.4-10.800113.5
877E25.2Very low28.1Very low166 Ų166135.1 Ų135.178%0.77680%0.8SS**  trans-80.5173.2167.3-79.7175.9123.800111.8
878L31.2Very low28.2Very low123 Ų123131.1 Ų131.164%0.64480%0.797SS**  cis174.9167.8-23.7-177.161.3000106.1
879E28.2Very low28.3Very low179 Ų179129 Ų12984%0.83680%0.802SS**  trans65.3168.8152.3-98.2159.3-149.400120.2
880G26.6Very low28.5Very low75 Ų75126.1 Ų126.177%0.77379%0.792SS**  trans152.452.6178.100000116.3
881L28.7Very low28.5Very low184 Ų184129.7 Ų129.796%0.96380%0.799SS**  trans-71.3142.5174.7-74.6160.2000112.3
882G25.4Very low28.8Very low79 Ų79129.3 Ų129.381%0.81480%0.803SS**  trans179.2126.4170.300000113.3
883E29.9Very low29.2Very low199 Ų199126.8 Ų126.893%0.9380%0.803SS**  trans-93.7150.6-177-57.6168.8107.800112.4
884A30.9Very low29.7Very low96 Ų96126.9 Ų126.979%0.79380%0.799SS**  166138.2113.300000115.7
885D28.8Very low29Very low176 Ų176128.9 Ų128.994%0.94180%0.803SS**  trans71.7158146.8-151.815.7000121.8
886G27Very low29.2Very low67 Ų67129.7 Ų129.769%0.69181%0.807SS**  trans106.959.5166.100000117.9
887G26.2Very low29.2Very low86 Ų86128.2 Ų128.289%0.88780%0.804SS**  trans-78.1-180-172.400000118.7
888G27Very low29.3Very low75 Ų75126.6 Ų126.677%0.77380%0.8SS**  trans-165.7133.7174.700000114.5
889N29.4Very low29.2Very low176 Ų176125.5 Ų125.594%0.94180%0.803SS**  trans-10.4144174-60.9-1.4000119.3
890G30.3Very low29Very low58 Ų58123.1 Ų123.160%0.59880%0.801SS**  cis14114716.800000111.2
891N31.1Very low29Very low153 Ų153124.3 Ų124.382%0.81880%0.797SS**  trans56.6128.9-179.368.999.6000117.7
892D32.8Very low28.8Very low157 Ų157121.4 Ų121.484%0.8479%0.787SS**  cis96.8133.129.3-71.1-48.6000114.8
893G32.8Very low28.8Very low79 Ų79122.4 Ų122.481%0.81478%0.782SS**  trans172.459.2-177.400000114.9
894T34.8Very low28.7Very low115 Ų115119.4 Ų119.471%0.70678%0.777SS**  trans-92.7137.4-169.541.20000115.9
895I28.7Very low28.5Very low146 Ų146122.2 Ų122.275%0.74978%0.778SS**  trans34.7127.1135.5-31.8162.5000119.3
896L32.5Very low28.9Very low162 Ų162119.2 Ų119.285%0.84877%0.768SS**  159.8130.8120.1-85.9172.4000118.1
897D26.5Very low28.8Very low141 Ų141122 Ų12275%0.75478%0.776SS**  trans75.1-166.1130.9-140.947.8000124.5
898L27.4Very low28.7Very low133 Ų133121.1 Ų121.170%0.69677%0.766SS**  trans-111.2143.8-132.7-86.4162.2000118.6
899S28.2Very low28.5Very low99 Ų99122.7 Ų122.769%0.69277%0.765SS**  trans62.4133.8143.5-56.60000122.4
900T24.7Very low28.2Very low129 Ų129119 Ų11979%0.79175%0.754SS**  166.6141.3108.1-66.30000114.2
901S25.6Very low28.1Very low101 Ų101121.8 Ų121.871%0.70676%0.764SS**  trans-17.3154.1166.5-44.90000120.3
902T24.8Very low27.9Very low122 Ų122118.4 Ų118.475%0.74876%0.757SS**  176.4157.765.1-40.70000111.3
903S26.2Very low27.7Very low101 Ų101119 Ų11971%0.70676%0.755SS**  trans18.1151.9153.265.50000122.7
904V26.4Very low27.5Very low136 Ų136120.2 Ų120.282%0.82475%0.751SS**  cis-153167.347.7-167.70000112.7
905L27.2Very low27.3Very low154 Ų154119.2 Ų119.281%0.80675%0.748SS**  trans-68.4-179.1165.6-80.7166.2000112.8
906P37.8Very low27.2Very low114 Ų114119.7 Ų119.774%0.7474%0.741SS**  cis-147.7153.821.642.2-20.8000121.6
907C25Very low27Very low126 Ų126118.2 Ų118.285%0.85173%0.734SS**  53.3127.7128.7-160.50000124.5
908G22.9Very low27.5Very low67 Ų67115.9 Ų115.969%0.69173%0.728SS**  trans120.8149.4143.200000115.6
909S24.4Very low27.6Very low107 Ų107116.3 Ų116.375%0.74873%0.732SS**  cis-162.7156.2-14.4-85.30000111.1
910S23.1Very low27.6Very low100 Ų100120.2 Ų120.270%0.69974%0.739SS**  trans44.6125.7144.564.50000123.7
911S27.1Very low27.8Very low115 Ų115117.9 Ų117.980%0.80473%0.733SS**  64.1157.8125.664.40000122.1
912A27Very low27.9Very low83 Ų83121.8 Ų121.869%0.68674%0.74SS**  cis-176.8175.7-23.700000110
913Q29.4Very low28.1Very low170 Ų170120.8 Ų120.879%0.79474%0.738SS**  trans79.6137148.5-136.881.2-2.500121.9
914S27.1Very low28.2Very low103 Ų103122.9 Ų122.972%0.7274%0.741SS**  trans69.4163.2148.470.40000118.9
915S31.6Very low28.4Very low94 Ų94124.3 Ų124.366%0.65774%0.739SS**  cis-149.4152.910.6-168.90000114.9
916W26.5Very low28.5Very low156 Ų156125.3 Ų125.359%0.59174%0.739SS**  trans-29.3163.1150.7-39.578.7000116.4C536 M537C536-W916 WeakPolarHBondContact SG-CH2 3.36Å; C536-W916 VanDerWaalsContact SG-CZ2 3.58Å; M537-W916 HydrophobicContact CE-CZ2 3.97Å
917D28.6Very low28.2Very low131 Ų131124.7 Ų124.770%0.70174%0.744SS**  cis-161.3179.913.1-146.6-3.7000115.4
918S35.8Very low28.4Very low92 Ų92122.4 Ų122.464%0.64374%0.741SS**  trans-59.2-175.8174.1-37.80000117
919D30.1Very low28.8Very low143 Ų143128.3 Ų128.377%0.76575%0.751SS**  cis-163.8176.7-4.2-132.9-37.3000112.3
920E27.7Very low29.1Very low180 Ų180131.8 Ų131.884%0.84176%0.755SS**  trans58.4157.6157.4-71.6-166103.900121.7
921A30.7Very low29.5Very low80 Ų80134.1 Ų134.166%0.66176%0.76SS**  cis-170.4168.6-25.400000112.6
922E25.7Very low29.7Very low184 Ų184135.9 Ų135.986%0.8676%0.756SS**  trans79.6136.2148-158.3166.2-120.900123.3
923S29.4Very low29.8Very low101 Ų101140 Ų14071%0.70676%0.76SS**  trans67.6147.5163.669.10000119.2
924D28.9Very low29.6Very low144 Ų144137.9 Ų137.977%0.7776%0.759SS**  cis-156.1155.2-5.1-123.3-0.9000112.7
925E29.9Very low30Very low167 Ų167140.8 Ų140.878%0.7877%0.766SS**  trans53150.8151.4-66-68.1-174.800126.1
926E29.8Very low29.9Very low175 Ų175141.6 Ų141.682%0.81877%0.768SS**  trans74.2124.6152.5-115.9-176162.900125.1
927A31.5Very low30Very low101 Ų101141.4 Ų141.484%0.83578%0.777SS**  trans64.2139.3145.200000122.8
928G29.7Very low30.1Very low77 Ų77143.3 Ų143.379%0.79478%0.782SS**  trans140.6107.4161.900000115.3
929E31Very low29.6Very low192 Ų192145.5 Ų145.590%0.89779%0.787SS**  trans-79.8165.1155.6-56172.3153.700106.8
930E30.8Very low29.6Very low180 Ų180143.8 Ų143.884%0.84179%0.786SS**  cis-165.8161.230.956.9-156.6125.700113.5
931D31.5Very low29.7Very low148 Ų148142.5 Ų142.579%0.79179%0.785SS**  trans80.9155.8147.6-135.85.5000125.6
932E31.9Very low29.8Very low153 Ų153147.9 Ų147.972%0.71580%0.796SS**  trans79.4159.3161.6-82.3-65.8168.700124
933E28.1Very low30Very low168 Ų168144.9 Ų144.979%0.78580%0.796SS**  trans-73.2154-159.7-73.3-172.915700117.8
934V26.1Very low30Very low126 Ų126145.1 Ų145.176%0.76480%0.796SS**  159.6138.1118.4159.90000112.4
935L34.8Very low30Very low165 Ų165146.2 Ų146.286%0.86480%0.802SS**  trans-84.2141.6170.9-64.7170.1000112.1
936P30.4Very low30.1Very low110 Ų110141.4 Ų141.471%0.71480%0.798SS**  -145.8136.5121.636.2-20.8000117.1
937I28.5Very low30.1Very low152 Ų152142 Ų14278%0.77981%0.805SS**  1.7131124.8-11.4-178.8000114.3
938E29.1Very low29.8Very low171 Ų171139.9 Ų139.980%0.79979%0.794SS**  -158.7163.760.2-77.6-173.2144.100115.6
939D26.4Very low29.7Very low138 Ų138143.4 Ų143.474%0.73880%0.8SS**  trans25119.9150.1-61.60.3000122.2
940S28.8Very low29.4Very low108 Ų108145.5 Ų145.576%0.75580%0.799SS**  178.4123.2100.2-75.40000115.6
941D29.9Very low29.4Very low153 Ų153146.6 Ų146.682%0.81880%0.796SS**  34.1132122.8-56.4-12.3000123.8
942E33.7Very low30Very low192 Ų192144.2 Ų144.290%0.89779%0.788SS**  trans87.7119.2150.4-49.4-139.3108.100123.4
943S29.4Very low29.7Very low122 Ų122145.1 Ų145.185%0.85379%0.793SS**  trans103.1164138.2-146.10000121.5
944C29.2Very low29.7Very low106 Ų106139.8 Ų139.872%0.71678%0.783SS**  trans-98.8174.8-175.4-50.50000111
945D30.3Very low29.9Very low166 Ų166142.9 Ų142.989%0.88879%0.789SS**  cis-139.5169.716.7-96.9-61.3000111.3
946G32.1Very low29.7Very low67 Ų67143.8 Ų143.869%0.69179%0.788SS**  trans-116.9154.8-163.500000119.1
947L28.9Very low29.5Very low186 Ų186141.9 Ų141.997%0.97479%0.789SS**  trans-147.8165.3163.4-70.8179000108.2
948G26.1Very low29.6Very low58 Ų58139.5 Ų139.560%0.59879%0.792SS**  cis147.9136.9-7.300000112
949V27.8Very low29.7Very low151 Ų151138 Ų13892%0.91579%0.794SS**  trans73139.3-174-170.10000111.1
950R24.3Very low29.7Very low236 Ų236134.5 Ų134.589%0.89179%0.791SS**  cis-135.8165.132.3-151.6179.3175.3133-4.3114.5
951R29.6Very low29.7Very low203 Ų203138.1 Ų138.177%0.76679%0.788SS**  trans-123.9-165.3175.3-127-152.7173.7-154.4-0.9107.6
952P44.9Very low29.7Very low97 Ų97138.3 Ų138.363%0.6378%0.783SS**  cis-102.6-149.2-2.625.6-0.7000109.4
953E25.4Very low29.6Very low173 Ų173138 Ų13881%0.80877%0.774SS**  cis-137.2-177.15.5-72.6-179.2157.100108.5
954G27.8Very low29.5Very low56 Ų56138.6 Ų138.658%0.57777%0.768SS**  cis-162156.6-9.200000110.1
955E30.2Very low29.6Very low191 Ų191139.8 Ų139.889%0.89377%0.772SS**  trans63.1141.7160.4-53.2-178.4151.700118.8
956E30.2Very low29.4Very low183 Ų183135.6 Ų135.686%0.85577%0.768SS**  cis-155.9164.2-16.7-113.7-155.914200110.4
957G27.9Very low29.3Very low70 Ų70138.2 Ų138.272%0.72278%0.775SS**  trans65.2107.8166.100000118.5
958A29.9Very low29.1Very low102 Ų102135.5 Ų135.584%0.84377%0.771SS**  cis7113134.700000113.3
959V30Very low29.7Very low140 Ų140144.3 Ų144.385%0.84879%0.786SS**  cis-147.7152.52.1-1790000108
960G27Very low29.9Very low65 Ų65143 Ų14367%0.6778%0.784SS**  cis138.1146.4-8.400000115.3
961R29.8Very low30.4Very low183 Ų183135.5 Ų135.569%0.69178%0.78SS**  trans70.8112.7154.2-163-163.1-148.1-121.516.8120.6
962H28.9Very low30.5Very low157 Ų157133.6 Ų133.673%0.72778%0.78SS**  -175.8166.9113.9-111.2-92.2000112.4
963R31.3Very low30.1Very low185 Ų185134.9 Ų134.970%0.69879%0.786SS**  -150.6163-99.3-141.5-172.8-169.6-164.72.8110.1
964N28.9Very low30.7Very low135 Ų135136.8 Ų136.872%0.72279%0.785SS**  trans70.7155.3165.3-64.924.3000117.8
965T30.5Very low31.7Very low131 Ų131142 Ų14280%0.80479%0.794SS**  cis-165.4142.2-25.9-84.20000107.9
966G26.5Very low33.3Very low78 Ų78137.3 Ų137.380%0.80478%0.783SS**  trans177.1109.516800000114.6
967C28.6Very low35.4Very low123 Ų123132.7 Ų132.783%0.83177%0.769SS**  trans-121.9139176.4-175.70000110.8
968S26.5Very low38Very low128 Ų128132 Ų13290%0.89575%0.748SS**  trans-162.5152.7161.7-88.20000111.9
969R38.4Very low40.5Very low244 Ų244131.2 Ų131.292%0.92173%0.733SS**  trans-133.3114.5-160.7-179.8-177.978.8178.84.6112.5
970S31.1Very low43.1Very low124 Ų124124.5 Ų124.587%0.86769%0.692SS**  trans-157.1124.216360.80000111.6
971G34.6Very low45.4Very low78 Ų78127.6 Ų127.680%0.80469%0.689SS**  trans-96.4171.1-168.500000116.5
972Q33.1Very low47.6Very low163 Ų163122.5 Ų122.576%0.76268%0.678SS**  trans-147.5101.4156.4-96.2-175.730.800109.4R974Q972-R974 PolarHBondContact O-N 2.96Å
973T34.8Very low50Low124 Ų124117.3 Ų117.376%0.76166%0.659SS**  trans-73.990.216851.90000109.3H975T973-H975 PolarHBondContact O-N 2.86Å; T973-H975 VanDerWaalsContact O-N 3.15Å
974R39.1Very low52.5Low212 Ų212116.3 Ų116.380%0.866%0.662SS**  trans-62.3117.4170.2-73.9-165.6172.4-150.60108.9Q972 S976Q972-R974 PolarHBondContact O-N 2.96Å; R974-S976 PolarHBondContact O-N 2.71Å
975H48.7Very low55Low165 Ų165115.8 Ų115.876%0.76465%0.653SS**  trans-71.695.2175.3-68-50000110T973T973-H975 PolarHBondContact O-N 2.86Å; T973-H975 VanDerWaalsContact O-N 3.15Å
976S64.6Low57.6Low94 Ų94114.1 Ų114.166%0.65764%0.643SS**PPolyproline II helixtrans-54.1138.5167.5-59.50000110.2R974 I978R974-S976 PolarHBondContact O-N 2.71Å; S976-I978 PolarHBondContact O-N 3.3Å
977P72.4Confident60.6Low85 Ų85112.5 Ų112.555%0.55261%0.613SS**PPolyproline II helixtrans-66.7126.3-178.628.1-34.7000110.4V986P977-V986 HydrophobicContact CB-CG1 3.62Å; P977-V986 HydrophobicContact CG-CG1 4.35Å
978I82.8Confident63.2Low57 Ų57110.8 Ų110.829%0.29260%0.602SS.*EExtended strand (participates in β ladder)trans-87.6116.2-172.6-61.7167.9000108.9S976 Y987 K990 F993S976-I978 PolarHBondContact O-N 3.3Å; I978-Y987 PolarHBondContact N-O 3.24Å; I978-Y987 WeakPolarHBondContact O-CB 3.35Å; I978-Y987 PolarHBondContact O-N 3.38Å; I978-K990 HydrophobicContact CD1-CB 3.7Å; I978-K990 HydrophobicContact CD1-CG 4Å; I978-F993 HydrophobicContact CG2-CB 4.1Å; I978-F993 HydrophobicContact CG2-CD1 3.68Å; I978-F993 HydrophobicContact CG2-CD2 4.3Å; I978-F993 HydrophobicContact CG2-CE1 4.21Å; I978-F993 HydrophobicContact CG2-CG 3.73Å
979T82.9Confident66Low84 Ų84109.1 Ų109.152%0.51558%0.583SS.*EExtended strand (participates in β ladder)trans-84.5140.2174.757.60000111.1H981 K985 V986T979-H981 PolarHBondContact O-N 3.5Å; T979-K985 WeakPolarHBondContact CA-O 3.34Å; T979-V986 HydrophobicContact CG2-CG1 4.47Å; T979-V986 HydrophobicContact CG2-CG2 4.01Å
980C85.1Confident67.9Low0 Ų0104.9 Ų104.90%057%0.571CS.*  trans-80.3113.1170.7179.70000109.9V982 C983 Q984 K985 Y987 F993 H996C980-V982 PolarHBondContact O-N 3.12Å; C980-C983 PolarHBondContact O-N 3.4Å; C980-Q984 WeakPolarHBondContact O-CA 3.33Å; C980-Q984 PolarHBondContact O-N 2.94Å; C980-K985 PolarHBondContact N-O 3.05Å; C980-Y987 HydrophobicContact CB-CE2 4.16Å; C980-F993 HydrophobicContact CB-CD2 4.06Å; C980-F993 HydrophobicContact CB-CE2 3.77Å; C980-H996 WeakPolarHBondContact CB-NE2 3.3Å; C980-H996 PolarHBondContact SG-NE2 3.47Å
981H74.9Confident70.4Confident129 Ų129101.4 Ų101.460%0.59756%0.555SS**THydrogen-bonded Turntrans-57.4-24.8-178.855.6-95.4000114.2T979 Y997T979-H981 PolarHBondContact O-N 3.5Å; H981-Y997 AromaticContact CE1-CE2 3.57Å; H981-Y997 AromaticContact CE1-CZ 3.72Å; H981-Y997 PolarHBondContact CE1-OH 3.17Å; H981-Y997 AromaticContact NE2-CE2 3.54Å; H981-Y997 AromaticContact NE2-CZ 3.77Å; H981-Y997 PolarHBondContact NE2-OH 2.87Å
982V75.9Confident72.7Confident77 Ų77100.8 Ų100.847%0.46754%0.536SS..THydrogen-bonded Turntrans-88.8-18-176.8-161.30000114.3C980 Y997 H1001C980-V982 PolarHBondContact O-N 3.12Å; V982-Y997 HydrophobicContact CG2-CE2 3.84Å; V982-H1001 WeakPolarHBondContact CG1-ND1 3.15Å
983C79.8Confident75.3Confident48 Ų4894.7 Ų94.732%0.32451%0.507SS..THydrogen-bonded Turntrans-144.214.6174.271.90000115.1C980 K985 H996 H1001C980-C983 PolarHBondContact O-N 3.4Å; C983-K985 PolarHBondContact O-N 2.82Å; C983-H996 PolarHBondContact SG-CE1 2.91Å; C983-H996 PolarHBondContact SG-NE2 2.98Å; C983-H1001 PolarHBondContact SG-NE2 3.47Å
984Q83Confident77.5Confident164 Ų16497.5 Ų97.577%0.76650%0.504SS*.  trans55.17.7176.9-57.3-177.85.400116.1C980 V986C980-Q984 WeakPolarHBondContact O-CA 3.33Å; C980-Q984 PolarHBondContact O-N 2.94Å; Q984-V986 PolarHBondContact O-N 3.24Å
985K81.3Confident79.6Confident123 Ų12390.1 Ų90.154%0.53549%0.488SS..  trans-65.7132.9176.7-73.6-179.1-177.8175.40111.4T979 C980 C983 Y987T979-K985 WeakPolarHBondContact CA-O 3.34Å; C980-K985 PolarHBondContact N-O 3.05Å; C983-K985 PolarHBondContact O-N 2.82Å; K985-Y987 HydrophobicContact CB-CE2 3.53Å; K985-Y987 VanDerWaalsContact O-CD2 3.22Å; K985-Y987 WeakPolarHBondContact O-CD2 3.31Å; K985-Y987 VanDerWaalsContact O-CE2 3.26Å; K985-Y987 WeakPolarHBondContact O-CE2 3.42Å
986V86Confident81.4Confident96 Ų9682.9 Ų82.958%0.58246%0.455SS*.EExtended strand (participates in β ladder)trans-88.5131.1-176.9-170.40000110P977 T979 Q984P977-V986 HydrophobicContact CB-CG1 3.62Å; P977-V986 HydrophobicContact CG-CG1 4.35Å; T979-V986 HydrophobicContact CG2-CG1 4.47Å; T979-V986 HydrophobicContact CG2-CG2 4.01Å; Q984-V986 PolarHBondContact O-N 3.24Å
987Y89.9Confident82.1Confident45 Ų4581.7 Ų81.718%0.17644%0.436CS..EExtended strand (participates in β ladder)trans-126.9126-179.9-66.5-82.1000111.4I978 C980 K985 N989 F993 H996I978-Y987 PolarHBondContact N-O 3.24Å; I978-Y987 WeakPolarHBondContact O-CB 3.35Å; I978-Y987 PolarHBondContact O-N 3.38Å; C980-Y987 HydrophobicContact CB-CE2 4.16Å; K985-Y987 HydrophobicContact CB-CE2 3.53Å; K985-Y987 VanDerWaalsContact O-CD2 3.22Å; K985-Y987 WeakPolarHBondContact O-CD2 3.31Å; K985-Y987 VanDerWaalsContact O-CE2 3.26Å; K985-Y987 WeakPolarHBondContact O-CE2 3.42Å; Y987-N989 PolarHBondContact O-N 2.89Å; Y987-F993 HydrophobicContact CD2-CB 4.29Å; Y987-F993 HydrophobicContact CD2-CD2 4.22Å; Y987-F993 HydrophobicContact CG-CB 4.17Å; Y987-H996 HydrophobicContact CE1-CB 3.9Å; Y987-H996 HydrophobicContact CE2-CB 4.14Å; Y987-H996 AromaticContact CE2-CD2 3.17Å; Y987-H996 WeakPolarHBondContact CE2-CD2 3.38Å; Y987-H996 AromaticContact CE2-CG 3.69Å; Y987-H996 AromaticContact CE2-NE2 3.83Å; Y987-H996 AromaticContact CZ-CD2 3.42Å; Y987-H996 VanDerWaalsContact CZ-CD2 3.42Å; Y987-H996 AromaticContact CZ-CG 3.4Å; Y987-H996 VanDerWaalsContact CZ-CG 3.4Å; Y987-H996 PolarHBondContact OH-CD2 3.28Å; Y987-H996 PolarHBondContact OH-ND1 3.43Å
988S82.3Confident82.2Confident86 Ų8685.3 Ų85.360%0.60144%0.443SS*.SBendtrans-67.6-15.817952.70000114.8
989N85.6Confident81.8Confident94 Ų9487.5 Ų87.550%0.50346%0.459SS..SBendtrans-139.8137.2-172.6-55.270.4000111.2Y987 G991 T992 F993Y987-N989 PolarHBondContact O-N 2.89Å; N989-G991 PolarHBondContact O-N 2.96Å; N989-G991 VanDerWaalsContact O-N 3.1Å; N989-T992 HydrophobicContact CB-CG2 4.47Å; N989-T992 PolarHBondContact O-N 2.99Å; N989-T992 PolarHBondContact O-OG1 3.45Å; N989-F993 PolarHBondContact O-N 3.36Å
990K78.8Confident81.1Confident154 Ų15486.5 Ų86.567%0.6745%0.453SS*.Hα-helixtrans-56-30.2176.4-162.4170.4-176.3176.20112.9I978 R994I978-K990 HydrophobicContact CD1-CB 3.7Å; I978-K990 HydrophobicContact CD1-CG 4Å; K990-R994 WeakPolarHBondContact O-CB 3.17Å; K990-R994 PolarHBondContact O-N 3.49Å
991G82.9Confident80.6Confident52 Ų5289.1 Ų89.154%0.53647%0.465SS..Hα-helixtrans-71.2-40.8174.600000114.7N989 R994 A995N989-G991 PolarHBondContact O-N 2.96Å; N989-G991 VanDerWaalsContact O-N 3.1Å; G991-R994 PolarHBondContact O-N 3.32Å; G991-A995 WeakPolarHBondContact O-CB 3.32Å; G991-A995 PolarHBondContact O-N 3.16Å
992T82.8Confident80.2Confident65 Ų6586.8 Ų86.840%0.39946%0.457SS..Hα-helixtrans-73.6-36177.353.10000111.2N989 A995 H996N989-T992 HydrophobicContact CB-CG2 4.47Å; N989-T992 PolarHBondContact O-N 2.99Å; N989-T992 PolarHBondContact O-OG1 3.45Å; T992-A995 PolarHBondContact O-N 3.18Å; T992-H996 WeakPolarHBondContact O-CB 3.43Å; T992-H996 PolarHBondContact O-N 3.3Å
993F88.3Confident79.3Confident34 Ų3491.7 Ų91.715%0.14947%0.467CS..Hα-helixtrans-57.2-53.4166.6170-120000111.8I978 C980 Y987 N989 A995 H996 Y997I978-F993 HydrophobicContact CG2-CB 4.1Å; I978-F993 HydrophobicContact CG2-CD1 3.68Å; I978-F993 HydrophobicContact CG2-CD2 4.3Å; I978-F993 HydrophobicContact CG2-CE1 4.21Å; I978-F993 HydrophobicContact CG2-CG 3.73Å; C980-F993 HydrophobicContact CB-CD2 4.06Å; C980-F993 HydrophobicContact CB-CE2 3.77Å; Y987-F993 HydrophobicContact CD2-CB 4.29Å; Y987-F993 HydrophobicContact CD2-CD2 4.22Å; Y987-F993 HydrophobicContact CG-CB 4.17Å; N989-F993 PolarHBondContact O-N 3.36Å; F993-A995 VanDerWaalsContact C-N 3.33Å; F993-A995 PolarHBondContact O-N 3.4Å; F993-H996 PolarHBondContact O-N 2.89Å; F993-Y997 HydrophobicContact CE2-CD2 4.11Å; F993-Y997 HydrophobicContact CE2-CG 4.19Å; F993-Y997 HydrophobicContact CZ-CD2 4.17Å; F993-Y997 HydrophobicContact CZ-CG 4.09Å; F993-Y997 WeakPolarHBondContact O-CB 3.42Å; F993-Y997 PolarHBondContact O-N 3.2Å
994R81.3Confident78.1Confident183 Ų18395.2 Ų95.269%0.69148%0.482SS*.Hα-helixtrans-58-41.3178.2-89.9-170.7161-148.8-4.3113K990 G991 K998K990-R994 WeakPolarHBondContact O-CB 3.17Å; K990-R994 PolarHBondContact O-N 3.49Å; G991-R994 PolarHBondContact O-N 3.32Å; R994-K998 VanDerWaalsContact O-CB 3.27Å; R994-K998 WeakPolarHBondContact O-CB 3.36Å; R994-K998 PolarHBondContact O-N 3.14Å
995A82.6Confident77.3Confident57 Ų5791.6 Ų91.647%0.47147%0.467SS..Hα-helixtrans-64.2-43.4176.800000112.1G991 T992 F993 T999G991-A995 WeakPolarHBondContact O-CB 3.32Å; G991-A995 PolarHBondContact O-N 3.16Å; T992-A995 PolarHBondContact O-N 3.18Å; F993-A995 VanDerWaalsContact C-N 3.33Å; F993-A995 PolarHBondContact O-N 3.4Å; A995-T999 WeakPolarHBondContact O-CB 3.28Å; A995-T999 WeakPolarHBondContact O-CG2 3.22Å; A995-T999 PolarHBondContact O-N 3.24Å; A995-T999 VanDerWaalsContact O-N 3.16Å; A995-T999 PolarHBondContact O-OG1 3.49Å
996H85.8Confident77.1Confident14 Ų1488.6 Ų88.67%0.06546%0.455CS..Hα-helixtrans-62.9-51.3173.9157.856.4000112C980 C983 Y987 T992 F993 K998 T999 V1000 H1001C980-H996 WeakPolarHBondContact CB-NE2 3.3Å; C980-H996 PolarHBondContact SG-NE2 3.47Å; C983-H996 PolarHBondContact SG-CE1 2.91Å; C983-H996 PolarHBondContact SG-NE2 2.98Å; Y987-H996 HydrophobicContact CE1-CB 3.9Å; Y987-H996 HydrophobicContact CE2-CB 4.14Å; Y987-H996 AromaticContact CE2-CD2 3.17Å; Y987-H996 WeakPolarHBondContact CE2-CD2 3.38Å; Y987-H996 AromaticContact CE2-CG 3.69Å; Y987-H996 AromaticContact CE2-NE2 3.83Å; Y987-H996 AromaticContact CZ-CD2 3.42Å; Y987-H996 VanDerWaalsContact CZ-CD2 3.42Å; Y987-H996 AromaticContact CZ-CG 3.4Å; Y987-H996 VanDerWaalsContact CZ-CG 3.4Å; Y987-H996 PolarHBondContact OH-CD2 3.28Å; Y987-H996 PolarHBondContact OH-ND1 3.43Å; T992-H996 WeakPolarHBondContact O-CB 3.43Å; T992-H996 PolarHBondContact O-N 3.3Å; F993-H996 PolarHBondContact O-N 2.89Å; H996-K998 VanDerWaalsContact C-N 3.33Å; H996-K998 PolarHBondContact O-N 2.95Å; H996-T999 PolarHBondContact O-N 3.07Å; H996-T999 VanDerWaalsContact O-N 3.1Å; H996-T999 PolarHBondContact O-OG1 3.08Å; H996-V1000 VanDerWaalsContact ND1-CG2 3.31Å; H996-V1000 WeakPolarHBondContact ND1-CG2 3.5Å; H996-V1000 WeakPolarHBondContact O-CB 3.27Å; H996-V1000 PolarHBondContact O-N 3.15Å; H996-H1001 AromaticContact CE1-CD2 3.58Å; H996-H1001 AromaticContact CE1-NE2 3.27Å; H996-H1001 PolarHBondContact CE1-NE2 3.28Å; H996-H1001 VanDerWaalsContact CE1-NE2 3.27Å; H996-H1001 AromaticContact NE2-CD2 3.6Å; H996-H1001 AromaticContact NE2-NE2 3.42Å; H996-H1001 PolarHBondContact NE2-NE2 2.97Å
997Y79.7Confident76.7Confident69 Ų6990.6 Ų90.627%0.27146%0.456SS..Iπ-helixtrans-57.3-46.7-178.5-167.1-119.5000110.7H981 V982 F993 T999 H1001 L1002H981-Y997 AromaticContact CE1-CE2 3.57Å; H981-Y997 AromaticContact CE1-CZ 3.72Å; H981-Y997 PolarHBondContact CE1-OH 3.17Å; H981-Y997 AromaticContact NE2-CE2 3.54Å; H981-Y997 AromaticContact NE2-CZ 3.77Å; H981-Y997 PolarHBondContact NE2-OH 2.87Å; V982-Y997 HydrophobicContact CG2-CE2 3.84Å; F993-Y997 HydrophobicContact CE2-CD2 4.11Å; F993-Y997 HydrophobicContact CE2-CG 4.19Å; F993-Y997 HydrophobicContact CZ-CD2 4.17Å; F993-Y997 HydrophobicContact CZ-CG 4.09Å; F993-Y997 WeakPolarHBondContact O-CB 3.42Å; F993-Y997 PolarHBondContact O-N 3.2Å; Y997-T999 PolarHBondContact O-N 3.12Å; Y997-H1001 HydrophobicContact CD2-CB 4.15Å; Y997-H1001 HydrophobicContact CE2-CB 4.31Å; Y997-H1001 PolarHBondContact O-N 2.74Å; Y997-H1001 VanDerWaalsContact O-N 3.08Å; Y997-L1002 HydrophobicContact CD1-CD1 3.77Å; Y997-L1002 HydrophobicContact CE1-CD1 3.58Å; Y997-L1002 HydrophobicContact CE1-CG 4.48Å; Y997-L1002 PolarHBondContact O-N 3.19Å
998K75.5Confident76.5Confident161 Ų16189.2 Ų89.270%0.745%0.453SS*.Iπ-helixtrans-68.5-22.7177.4-170.7164.8-176.4167.30115.1R994 H996R994-K998 VanDerWaalsContact O-CB 3.27Å; R994-K998 WeakPolarHBondContact O-CB 3.36Å; R994-K998 PolarHBondContact O-N 3.14Å; H996-K998 VanDerWaalsContact C-N 3.33Å; H996-K998 PolarHBondContact O-N 2.95Å
999T73.4Confident76.6Confident102 Ų10292.8 Ų92.863%0.62646%0.457SS*.Iπ-helixtrans-101.5-26.9-178.251.90000114.2A995 H996 Y997A995-T999 WeakPolarHBondContact O-CB 3.28Å; A995-T999 WeakPolarHBondContact O-CG2 3.22Å; A995-T999 PolarHBondContact O-N 3.24Å; A995-T999 VanDerWaalsContact O-N 3.16Å; A995-T999 PolarHBondContact O-OG1 3.49Å; H996-T999 PolarHBondContact O-N 3.07Å; H996-T999 VanDerWaalsContact O-N 3.1Å; H996-T999 PolarHBondContact O-OG1 3.08Å; Y997-T999 PolarHBondContact O-N 3.12Å
1000V68.9Low76.5Confident64 Ų6490.3 Ų90.339%0.38845%0.445SS..Iπ-helixtrans-101.3-42.3-176.6-177.60000111.8H996H996-V1000 VanDerWaalsContact ND1-CG2 3.31Å; H996-V1000 WeakPolarHBondContact ND1-CG2 3.5Å; H996-V1000 WeakPolarHBondContact O-CB 3.27Å; H996-V1000 PolarHBondContact O-N 3.15Å
1001H74Confident76.2Confident55 Ų5588.5 Ų88.526%0.25545%0.45SS..Iπ-helixtrans-108.6-48.6-169.6-59.9-66.9000112.6V982 C983 H996 Y997 R1003V982-H1001 WeakPolarHBondContact CG1-ND1 3.15Å; C983-H1001 PolarHBondContact SG-NE2 3.47Å; H996-H1001 AromaticContact CE1-CD2 3.58Å; H996-H1001 AromaticContact CE1-NE2 3.27Å; H996-H1001 PolarHBondContact CE1-NE2 3.28Å; H996-H1001 VanDerWaalsContact CE1-NE2 3.27Å; H996-H1001 AromaticContact NE2-CD2 3.6Å; H996-H1001 AromaticContact NE2-NE2 3.42Å; H996-H1001 PolarHBondContact NE2-NE2 2.97Å; Y997-H1001 HydrophobicContact CD2-CB 4.15Å; Y997-H1001 HydrophobicContact CE2-CB 4.31Å; Y997-H1001 PolarHBondContact O-N 2.74Å; Y997-H1001 VanDerWaalsContact O-N 3.08Å; H1001-R1003 PolarHBondContact O-N 2.94Å
1002L67.4Low75.8Confident80 Ų8088.8 Ų88.842%0.41945%0.453SS..  trans-79.155.1178.8-112.3162.3000112.2Y997 L1004Y997-L1002 HydrophobicContact CD1-CD1 3.77Å; Y997-L1002 HydrophobicContact CE1-CD1 3.58Å; Y997-L1002 HydrophobicContact CE1-CG 4.48Å; Y997-L1002 PolarHBondContact O-N 3.19Å; L1002-L1004 HydrophobicContact CD2-CD1 3.91Å; L1002-L1004 HydrophobicContact CD2-CG 4.13Å; L1002-L1004 PolarHBondContact O-N 3.12Å
1003R55.3Low75.9Confident179 Ų17986.3 Ų86.368%0.67544%0.437SS*.  trans-73.269170.3-63.9-173.2-167165.15.8110.5H1001 L1005H1001-R1003 PolarHBondContact O-N 2.94Å; R1003-L1005 PolarHBondContact O-N 3.49Å
1004L56.3Low75.3Confident122 Ų12291 Ų9164%0.63946%0.464SS*.  trans-60.790.8158.8-83.5160.7000107.9L1002 H1006L1002-L1004 HydrophobicContact CD2-CD1 3.91Å; L1002-L1004 HydrophobicContact CD2-CG 4.13Å; L1002-L1004 PolarHBondContact O-N 3.12Å; L1004-H1006 PolarHBondContact O-CD2 3.38Å; L1004-H1006 PolarHBondContact O-N 2.9Å
1005L66.3Low75.2Confident89 Ų8984.9 Ų84.947%0.46645%0.447SS..  trans-66.5107.2176.5-68.4175.1000107.6R1003 K1007R1003-L1005 PolarHBondContact O-N 3.49Å; L1005-K1007 PolarHBondContact O-N 3.33Å
1006H76.6Confident75.2Confident60 Ų6084.7 Ų84.728%0.27844%0.442SS..EExtended strand (participates in β ladder)trans-70.396.5-178.6-55.8-73.5000108.5L1004 F1017 S1019 V1020 R1023L1004-H1006 PolarHBondContact O-CD2 3.38Å; L1004-H1006 PolarHBondContact O-N 2.9Å; H1006-F1017 PolarHBondContact CD2-O 3.2Å; H1006-F1017 PolarHBondContact N-O 3.09Å; H1006-F1017 PolarHBondContact O-N 3.07Å; H1006-S1019 VanDerWaalsContact CD2-C 3.46Å; H1006-V1020 PolarHBondContact CD2-N 3.38Å; H1006-V1020 WeakPolarHBondContact NE2-CG2 3.25Å; H1006-R1023 HydrophobicContact CB-CB 4.16Å; H1006-R1023 HydrophobicContact CB-CG 4.48Å
1007K77.9Confident74.9Confident137 Ų13786 Ų8660%0.59645%0.448SS*.EExtended strand (participates in β ladder)trans-50.3150.5170.7-69.2-165.1173.9-161.40111L1005 T1015 R1023L1005-K1007 PolarHBondContact O-N 3.33Å; K1007-T1015 CarbonylContact C-O 3.52Å; K1007-T1015 WeakPolarHBondContact CA-O 3.46Å; K1007-R1023 WeakPolarHBondContact O-CD 3.39Å; K1007-R1023 WeakPolarHBondContact O-CG 3.24Å
1008C86Confident74.3Confident16 Ų1687.7 Ų87.711%0.10847%0.47CS..  trans-55156.2174.2-162.20000111.6C1013 T1015C1008-C1013 HydrophobicContact CB-CB 3.8Å; C1008-C1013 VanDerWaalsContact CB-O 3.26Å; C1008-C1013 WeakPolarHBondContact CB-O 3.41Å; C1008-C1013 VanDerWaalsContact SG-SG 3.7Å; C1008-T1015 PolarHBondContact N-O 2.88Å
1009K82.9Confident74.2Confident162 Ų16282.5 Ų82.570%0.70445%0.454SS*.SBendtrans-96.40.2173.5-85.6-155.7167-1500113.5
1010V83.1Confident74.3Confident41 Ų4180.8 Ų80.825%0.24844%0.443CS..SBendtrans-92128.5178.1-176.30000107.8C1013 H1033V1010-C1013 HydrophobicContact CB-CB 4.12Å; V1010-C1013 VanDerWaalsContact O-CB 3.31Å; V1010-C1013 WeakPolarHBondContact O-CB 3.43Å; V1010-C1013 PolarHBondContact O-N 3.29Å; V1010-H1033 HydrophobicContact CG1-CB 4.12Å
1011P73.8Confident74.6Confident117 Ų11787.7 Ų87.776%0.7646%0.462SS*.THydrogen-bonded Turntrans-59.2147.3174.925.6-33.8000110.8C1013P1011-C1013 PolarHBondContact O-N 3.41Å
1012G73.8Confident74.8Confident58 Ų5886.1 Ų86.160%0.59846%0.457SS*.THydrogen-bonded Turntrans73.42.8-173.200000115.6
1013C84.8Confident75.7Confident12 Ų1284.5 Ų84.58%0.08145%0.446CS..  trans-111.494.8-177.4-167.60000113.5C1008 V1010 P1011 T1015 H1026 H1033 L1036C1008-C1013 HydrophobicContact CB-CB 3.8Å; C1008-C1013 VanDerWaalsContact CB-O 3.26Å; C1008-C1013 WeakPolarHBondContact CB-O 3.41Å; C1008-C1013 VanDerWaalsContact SG-SG 3.7Å; V1010-C1013 HydrophobicContact CB-CB 4.12Å; V1010-C1013 VanDerWaalsContact O-CB 3.31Å; V1010-C1013 WeakPolarHBondContact O-CB 3.43Å; V1010-C1013 PolarHBondContact O-N 3.29Å; P1011-C1013 PolarHBondContact O-N 3.41Å; C1013-T1015 PolarHBondContact O-N 3.33Å; C1013-T1015 PolarHBondContact SG-OG1 3.15Å; C1013-T1015 VanDerWaalsContact SG-OG1 3.37Å; C1013-H1026 PolarHBondContact SG-NE2 2.87Å; C1013-H1026 VanDerWaalsContact SG-NE2 3.39Å; C1013-H1033 PolarHBondContact SG-CE1 3.36Å; C1013-H1033 PolarHBondContact SG-ND1 3.04Å; C1013-L1036 HydrophobicContact CB-CD1 3.64Å
1014D76.3Confident77.1Confident133 Ų13378.7 Ų78.771%0.71143%0.428SS*.  trans-75.21.5-179.8-75-61.2000115.9S1016D1014-S1016 PolarHBondContact O-N 2.86Å
1015T78.5Confident78.5Confident55 Ų5581.3 Ų81.334%0.33743%0.43SS..  trans-64.2137.3-179.770.40000111K1007 C1008 C1013 F1017 H1026K1007-T1015 CarbonylContact C-O 3.52Å; K1007-T1015 WeakPolarHBondContact CA-O 3.46Å; C1008-T1015 PolarHBondContact N-O 2.88Å; C1013-T1015 PolarHBondContact O-N 3.33Å; C1013-T1015 PolarHBondContact SG-OG1 3.15Å; C1013-T1015 VanDerWaalsContact SG-OG1 3.37Å; T1015-F1017 VanDerWaalsContact OG1-CE2 3.23Å; T1015-F1017 WeakPolarHBondContact OG1-CE2 3.41Å; T1015-F1017 WeakPolarHBondContact OG1-CZ 3.25Å; T1015-H1026 PolarHBondContact OG1-CD2 2.93Å; T1015-H1026 PolarHBondContact OG1-NE2 3.02Å
1016S82.4Confident79.5Confident52 Ų5278.3 Ų78.336%0.36441%0.413SS..EExtended strand (participates in β ladder)trans-134.2144.6-174.8720000112.3D1014D1014-S1016 PolarHBondContact O-N 2.86Å
1017F80.6Confident79.8Confident43 Ų4376.9 Ų76.919%0.18941%0.41CS..EExtended strand (participates in β ladder)trans-130.6136.6-163-60.6-84.9000113.4H1006 T1015 S1019 R1023 H1026H1006-F1017 PolarHBondContact CD2-O 3.2Å; H1006-F1017 PolarHBondContact N-O 3.09Å; H1006-F1017 PolarHBondContact O-N 3.07Å; T1015-F1017 VanDerWaalsContact OG1-CE2 3.23Å; T1015-F1017 WeakPolarHBondContact OG1-CE2 3.41Å; T1015-F1017 WeakPolarHBondContact OG1-CZ 3.25Å; F1017-S1019 PolarHBondContact O-N 3.11Å; F1017-R1023 HydrophobicContact CB-CB 4.11Å; F1017-R1023 VanDerWaalsContact CD2-CA 3.48Å; F1017-R1023 HydrophobicContact CD2-CB 3.76Å; F1017-R1023 HydrophobicContact CD2-CG 4.11Å; F1017-R1023 HydrophobicContact CG-CB 4.17Å; F1017-H1026 HydrophobicContact CE1-CB 4.12Å; F1017-H1026 HydrophobicContact CE2-CB 3.83Å; F1017-H1026 AromaticContact CE2-CD2 3.52Å; F1017-H1026 AromaticContact CE2-CG 3.77Å; F1017-H1026 HydrophobicContact CZ-CB 3.48Å; F1017-H1026 VanDerWaalsContact CZ-CB 3.48Å; F1017-H1026 AromaticContact CZ-CD2 3.44Å; F1017-H1026 VanDerWaalsContact CZ-CD2 3.44Å; F1017-H1026 WeakPolarHBondContact CZ-CD2 3.25Å; F1017-H1026 AromaticContact CZ-CG 3.32Å; F1017-H1026 AromaticContact CZ-ND1 3.9Å
1018S67.1Low80Confident103 Ų10377.5 Ų77.572%0.7242%0.415SS*.SBendtrans-66.96.1172.355.60000115.2
1019S73.5Confident79.8Confident53 Ų5379.4 Ų79.437%0.37142%0.424SS..SBendtrans-154.9138.7172.3-175.60000112.3H1006 F1017 R1021 S1022 R1023H1006-S1019 VanDerWaalsContact CD2-C 3.46Å; F1017-S1019 PolarHBondContact O-N 3.11Å; S1019-R1021 PolarHBondContact O-N 3.43Å; S1019-R1021 VanDerWaalsContact O-N 3.11Å; S1019-R1021 PolarHBondContact OG-N 3.22Å; S1019-S1022 WeakPolarHBondContact CB-OG 3.32Å; S1019-S1022 PolarHBondContact O-N 3.11Å; S1019-S1022 VanDerWaalsContact O-N 3.13Å; S1019-S1022 PolarHBondContact O-OG 3.44Å; S1019-R1023 PolarHBondContact O-N 3.04Å
1020V74.6Confident79.4Confident65 Ų6576 Ų7639%0.39442%0.418SS..Hα-helixtrans-47.1-37.9168.1-176.40000111.6H1006 N1024H1006-V1020 PolarHBondContact CD2-N 3.38Å; H1006-V1020 WeakPolarHBondContact NE2-CG2 3.25Å; V1020-N1024 WeakPolarHBondContact O-CB 3.2Å; V1020-N1024 PolarHBondContact O-N 3.02Å; V1020-N1024 PolarHBondContact O-OD1 2.9Å; V1020-N1024 VanDerWaalsContact O-OD1 3.09Å
1021R76.2Confident79Confident209 Ų20978.6 Ų78.679%0.78943%0.431SS*.Hα-helixtrans-76.9-30.7-175.2-163172.3-172.3162.63.7113.4S1019 R1025S1019-R1021 PolarHBondContact O-N 3.43Å; S1019-R1021 VanDerWaalsContact O-N 3.11Å; S1019-R1021 PolarHBondContact OG-N 3.22Å; R1021-R1025 WeakPolarHBondContact O-CB 3.42Å; R1021-R1025 PolarHBondContact O-N 3.26Å
1022S77.2Confident79.1Confident23 Ų2377.6 Ų77.616%0.16142%0.418CS..Hα-helixtrans-77.2-38.7171.438.90000111.5S1019 R1025 H1026S1019-S1022 WeakPolarHBondContact CB-OG 3.32Å; S1019-S1022 PolarHBondContact O-N 3.11Å; S1019-S1022 VanDerWaalsContact O-N 3.13Å; S1019-S1022 PolarHBondContact O-OG 3.44Å; S1022-R1025 PolarHBondContact O-N 2.87Å; S1022-H1026 WeakPolarHBondContact O-CB 3.48Å; S1022-H1026 PolarHBondContact O-N 2.73Å
1023R86.8Confident79.3Confident45 Ų4575.6 Ų75.617%0.1739%0.394CS..Hα-helixtrans-54.5-56.3169.2-177.9-158.759.6-167.22.1111H1006 K1007 F1017 S1019 R1025 H1026 S1027H1006-R1023 HydrophobicContact CB-CB 4.16Å; H1006-R1023 HydrophobicContact CB-CG 4.48Å; K1007-R1023 WeakPolarHBondContact O-CD 3.39Å; K1007-R1023 WeakPolarHBondContact O-CG 3.24Å; F1017-R1023 HydrophobicContact CB-CB 4.11Å; F1017-R1023 VanDerWaalsContact CD2-CA 3.48Å; F1017-R1023 HydrophobicContact CD2-CB 3.76Å; F1017-R1023 HydrophobicContact CD2-CG 4.11Å; F1017-R1023 HydrophobicContact CG-CB 4.17Å; S1019-R1023 PolarHBondContact O-N 3.04Å; R1023-R1025 VanDerWaalsContact C-N 3.28Å; R1023-R1025 PolarHBondContact O-N 3.46Å; R1023-H1026 CarbonylContact O-C 3.6Å; R1023-H1026 WeakPolarHBondContact O-CA 3.43Å; R1023-H1026 WeakPolarHBondContact O-CB 2.9Å; R1023-H1026 PolarHBondContact O-N 3.24Å; R1023-S1027 PolarHBondContact O-N 2.8Å; R1023-S1027 PolarHBondContact O-OG 3.05Å
1024N85.3Confident78.6Confident58 Ų5881.1 Ų81.131%0.3142%0.416SS..Hα-helixtrans-59-41.3-176-72.115.5000111.4V1020 H1026 S1027 Q1028V1020-N1024 WeakPolarHBondContact O-CB 3.2Å; V1020-N1024 PolarHBondContact O-N 3.02Å; V1020-N1024 PolarHBondContact O-OD1 2.9Å; V1020-N1024 VanDerWaalsContact O-OD1 3.09Å; N1024-H1026 VanDerWaalsContact C-N 3.29Å; N1024-H1026 PolarHBondContact O-N 3.31Å; N1024-S1027 PolarHBondContact O-N 3.12Å; N1024-S1027 PolarHBondContact O-OG 2.94Å; N1024-Q1028 WeakPolarHBondContact O-CB 3.49Å; N1024-Q1028 WeakPolarHBondContact O-CG 3.49Å; N1024-Q1028 PolarHBondContact O-N 3.04Å; N1024-Q1028 PolarHBondContact O-OE1 2.88Å
1025R85.3Confident77.7Confident177 Ų17782 Ų8267%0.66842%0.421SS*.Hα-helixtrans-64.3-30.2174.8-176.217964.2-149.8-2.3113.4R1021 S1022 R1023R1021-R1025 WeakPolarHBondContact O-CB 3.42Å; R1021-R1025 PolarHBondContact O-N 3.26Å; S1022-R1025 PolarHBondContact O-N 2.87Å; R1023-R1025 VanDerWaalsContact C-N 3.28Å; R1023-R1025 PolarHBondContact O-N 3.46Å
1026H86.2Confident76.9Confident26 Ų2682.4 Ų82.412%0.1242%0.421CS..Hα-helixtrans-77.4-47.4175.5178.374.8000111.5C1013 T1015 F1017 S1022 R1023 N1024 Q1028 N1029 L1032 H1033C1013-H1026 PolarHBondContact SG-NE2 2.87Å; C1013-H1026 VanDerWaalsContact SG-NE2 3.39Å; T1015-H1026 PolarHBondContact OG1-CD2 2.93Å; T1015-H1026 PolarHBondContact OG1-NE2 3.02Å; F1017-H1026 HydrophobicContact CE1-CB 4.12Å; F1017-H1026 HydrophobicContact CE2-CB 3.83Å; F1017-H1026 AromaticContact CE2-CD2 3.52Å; F1017-H1026 AromaticContact CE2-CG 3.77Å; F1017-H1026 HydrophobicContact CZ-CB 3.48Å; F1017-H1026 VanDerWaalsContact CZ-CB 3.48Å; F1017-H1026 AromaticContact CZ-CD2 3.44Å; F1017-H1026 VanDerWaalsContact CZ-CD2 3.44Å; F1017-H1026 WeakPolarHBondContact CZ-CD2 3.25Å; F1017-H1026 AromaticContact CZ-CG 3.32Å; F1017-H1026 AromaticContact CZ-ND1 3.9Å; S1022-H1026 WeakPolarHBondContact O-CB 3.48Å; S1022-H1026 PolarHBondContact O-N 2.73Å; R1023-H1026 CarbonylContact O-C 3.6Å; R1023-H1026 WeakPolarHBondContact O-CA 3.43Å; R1023-H1026 WeakPolarHBondContact O-CB 2.9Å; R1023-H1026 PolarHBondContact O-N 3.24Å; N1024-H1026 VanDerWaalsContact C-N 3.29Å; N1024-H1026 PolarHBondContact O-N 3.31Å; H1026-Q1028 VanDerWaalsContact C-N 3.25Å; H1026-Q1028 PolarHBondContact O-N 3.07Å; H1026-N1029 PolarHBondContact O-N 3.22Å; H1026-N1029 VanDerWaalsContact O-N 3.14Å; H1026-L1032 WeakPolarHBondContact ND1-CD1 3.3Å; H1026-H1033 AromaticContact CD2-CE1 3.65Å; H1026-H1033 AromaticContact CE1-CE1 3.94Å; H1026-H1033 AromaticContact NE2-CE1 3.31Å; H1026-H1033 PolarHBondContact NE2-CE1 3.35Å; H1026-H1033 VanDerWaalsContact NE2-CE1 3.31Å; H1026-H1033 AromaticContact NE2-NE2 3.94Å; H1026-H1033 PolarHBondContact O-NE2 2.74Å
1027S83.3Confident75.4Confident30 Ų3085.4 Ų85.421%0.2144%0.441CS..Hα-helixtrans-66-25.7176.763.30000113.3R1023 N1024 N1029R1023-S1027 PolarHBondContact O-N 2.8Å; R1023-S1027 PolarHBondContact O-OG 3.05Å; N1024-S1027 PolarHBondContact O-N 3.12Å; N1024-S1027 PolarHBondContact O-OG 2.94Å; S1027-N1029 VanDerWaalsContact C-N 3.34Å
1028Q82.3Confident73.8Confident150 Ų15089 Ų8970%0.70147%0.466SS*.THydrogen-bonded Turntrans-84.80.5174.9-71173-35.300114.1N1024 H1026 P1030N1024-Q1028 WeakPolarHBondContact O-CB 3.49Å; N1024-Q1028 WeakPolarHBondContact O-CG 3.49Å; N1024-Q1028 PolarHBondContact O-N 3.04Å; N1024-Q1028 PolarHBondContact O-OE1 2.88Å; H1026-Q1028 VanDerWaalsContact C-N 3.25Å; H1026-Q1028 PolarHBondContact O-N 3.07Å; Q1028-P1030 WeakPolarHBondContact O-CD 3.24Å
1029N81.6Confident72.7Confident56 Ų5690 Ų9030%0.29947%0.468SS..  trans-107.792.9176.7-173-0.3000110.4H1026 S1027 N1031 L1032 H1033H1026-N1029 PolarHBondContact O-N 3.22Å; H1026-N1029 VanDerWaalsContact O-N 3.14Å; S1027-N1029 VanDerWaalsContact C-N 3.34Å; N1029-N1031 PolarHBondContact O-N 3.1Å; N1029-N1031 WeakPolarHBondContact OD1-CB 3.18Å; N1029-N1031 PolarHBondContact OD1-N 3.19Å; N1029-N1031 PolarHBondContact OD1-ND2 2.96Å; N1029-L1032 HydrophobicContact CB-CD1 4.11Å; N1029-L1032 HydrophobicContact CB-CG 4.22Å; N1029-L1032 PolarHBondContact O-N 3.3Å; N1029-H1033 PolarHBondContact O-CD2 3.41Å; N1029-H1033 VanDerWaalsContact O-CD2 3.26Å
1030P74.8Confident71.4Confident90 Ų9093.2 Ų93.258%0.58449%0.49SS*.G310 helixtrans-59.5-25.5-175.424-34.4000112.8Q1028 L1032 H1033 K1034Q1028-P1030 WeakPolarHBondContact O-CD 3.24Å; P1030-L1032 PolarHBondContact O-N 3.5Å; P1030-L1032 VanDerWaalsContact O-N 3.11Å; P1030-H1033 PolarHBondContact O-N 2.74Å; P1030-K1034 PolarHBondContact O-N 3.38Å; P1030-K1034 VanDerWaalsContact O-N 3.16Å
1031N75.1Confident69.8Low96 Ų9694 Ų9451%0.51351%0.511SS..G310 helixtrans-60.9-21.3176.7-58.2-75.9000114N1029 K1034N1029-N1031 PolarHBondContact O-N 3.1Å; N1029-N1031 WeakPolarHBondContact OD1-CB 3.18Å; N1029-N1031 PolarHBondContact OD1-N 3.19Å; N1029-N1031 PolarHBondContact OD1-ND2 2.96Å; N1031-K1034 WeakPolarHBondContact OD1-CE 3.22Å; N1031-K1034 PolarHBondContact OD1-NZ 3.28Å
1032L74.7Confident67.8Low95 Ų9588.6 Ų88.650%0.49751%0.511SS..G310 helixtrans-89.5-7.2177.6-57179.9000113.1H1026 N1029 P1030H1026-L1032 WeakPolarHBondContact ND1-CD1 3.3Å; N1029-L1032 HydrophobicContact CB-CD1 4.11Å; N1029-L1032 HydrophobicContact CB-CG 4.22Å; N1029-L1032 PolarHBondContact O-N 3.3Å; P1030-L1032 PolarHBondContact O-N 3.5Å; P1030-L1032 VanDerWaalsContact O-N 3.11Å
1033H78.8Confident66Low16 Ų1694.7 Ų94.77%0.07455%0.547CS..THydrogen-bonded Turntrans-117.60-179.7-51.3-72.9000113V1010 C1013 H1026 N1029 P1030 N1035 L1036V1010-H1033 HydrophobicContact CG1-CB 4.12Å; C1013-H1033 PolarHBondContact SG-CE1 3.36Å; C1013-H1033 PolarHBondContact SG-ND1 3.04Å; H1026-H1033 AromaticContact CD2-CE1 3.65Å; H1026-H1033 AromaticContact CE1-CE1 3.94Å; H1026-H1033 AromaticContact NE2-CE1 3.31Å; H1026-H1033 PolarHBondContact NE2-CE1 3.35Å; H1026-H1033 VanDerWaalsContact NE2-CE1 3.31Å; H1026-H1033 AromaticContact NE2-NE2 3.94Å; H1026-H1033 PolarHBondContact O-NE2 2.74Å; N1029-H1033 PolarHBondContact O-CD2 3.41Å; N1029-H1033 VanDerWaalsContact O-CD2 3.26Å; P1030-H1033 PolarHBondContact O-N 2.74Å; H1033-N1035 PolarHBondContact O-N 3.35Å; H1033-N1035 VanDerWaalsContact O-N 3.09Å; H1033-L1036 HydrophobicContact CB-CD1 4.35Å; H1033-L1036 WeakPolarHBondContact O-CB 3.42Å; H1033-L1036 PolarHBondContact O-N 3.21Å
1034K70.1Confident64.1Low129 Ų12997 Ų9756%0.56158%0.576SS**THydrogen-bonded Turntrans-50.5-35.4180-85177171.1171.10113.7P1030 N1031P1030-K1034 PolarHBondContact O-N 3.38Å; P1030-K1034 VanDerWaalsContact O-N 3.16Å; N1031-K1034 WeakPolarHBondContact OD1-CE 3.22Å; N1031-K1034 PolarHBondContact OD1-NZ 3.28Å
1035N58.3Low61.7Low150 Ų150107.2 Ų107.280%0.80262%0.622SS**THydrogen-bonded Turntrans-90.1-1.6-177.7-57.71.5000113.3H1033H1033-N1035 PolarHBondContact O-N 3.35Å; H1033-N1035 VanDerWaalsContact O-N 3.09Å
1036L59.8Low60.5Low64 Ų64103.8 Ų103.834%0.33562%0.62SS.*THydrogen-bonded Turntrans-101.2-15.3-177.7-55.1177.2000112.6C1013 H1033 V1038C1013-L1036 HydrophobicContact CB-CD1 3.64Å; H1033-L1036 HydrophobicContact CB-CD1 4.35Å; H1033-L1036 WeakPolarHBondContact O-CB 3.42Å; H1033-L1036 PolarHBondContact O-N 3.21Å; L1036-V1038 VanDerWaalsContact C-N 3.27Å; L1036-V1038 PolarHBondContact O-N 2.83Å
1037C51.3Low59.1Low116 Ų116107.8 Ų107.878%0.78465%0.646SS**THydrogen-bonded Turntrans-86.911.4-176.5-158.80000113.8
1038V47.5Very low57.8Low119 Ų119112.2 Ų112.272%0.72167%0.67SS**THydrogen-bonded Turntrans-105.8-14.7-169.9-174.90000112.4L1036 S1040L1036-V1038 VanDerWaalsContact C-N 3.27Å; L1036-V1038 PolarHBondContact O-N 2.83Å; V1038-S1040 PolarHBondContact O-N 2.89Å
1039T44.5Very low56.4Low123 Ų123109.9 Ų109.976%0.75567%0.669SS**SBendtrans-100.962.5-178.954.90000112
1040S46.5Very low54.8Low121 Ų121113.3 Ų113.385%0.84669%0.692SS**SBendtrans-155.292.8170.4-720000110.5V1038V1038-S1040 PolarHBondContact O-N 2.89Å
1041G40Very low53.4Low80 Ų80114.9 Ų114.983%0.82570%0.699SS**  trans126.189.9171.900000114.8
1042A35.1Very low51.9Low96 Ų96116.2 Ų116.279%0.79371%0.712SS**  trans176.486.4151.900000110.6
1043T39.2Very low50.1Low151 Ų151117.8 Ų117.893%0.92673%0.729SS**  trans-146.867.6163.451.20000109.7
1044A45.9Very low47.8Very low93 Ų93126.3 Ų126.377%0.76978%0.783SS**  trans-165.412716100000104.6
1045E34.9Very low45.7Very low274 Ų274126.1 Ų126.1100%1.2880%0.803SS**  cis-111.90-0.7-64.8171.4116.500111.5

Retrieved 1,045 of 1,045 residues in 1305 ms (Link to these results)

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