A0A087XAZ9_POEFO Loading...

Histone deacetylase 1

Histone deacetylase that catalyzes the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4). Histone deacetylation gives a tag for epigenetic repression and plays an important role in transcriptional regulation, cell cycle progression and developmental events. Histone deacetylases act via the formation of large multiprotein complexes. Also functions as deacetylase for non-histone proteins.

AlphaFold DB , UniProt , Accession A0A087XAZ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 488 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
1M32.3Very low55Low227 Ų227127.2 Ų127.2100%1.11870%0.698SS**  01300-64.5174.8-174.300106.9F3M1-F3 PolarHBondContact O-N 3.43Å
2A31.6Very low58.6Low93 Ų93116.8 Ų116.877%0.76964%0.641SS**  trans-81.4110.317800000109.3T4A2-T4 VanDerWaalsContact C-N 3.34Å; A2-T4 PolarHBondContact O-N 3.07Å; A2-T4 VanDerWaalsContact O-N 3.07Å
3F34.8Very low61.7Low196 Ų196107.8 Ų107.886%0.8659%0.592SS**  trans-74.791.6166.3-88.2-86.5000108.5M1 S5M1-F3 PolarHBondContact O-N 3.43Å; F3-S5 PolarHBondContact O-N 3.21Å
4T36.2Very low64.4Low128 Ų128100.1 Ų100.179%0.78555%0.55SS*.  trans-76.572.1165.253.30000108.9A2 Q6A2-T4 VanDerWaalsContact C-N 3.34Å; A2-T4 PolarHBondContact O-N 3.07Å; A2-T4 VanDerWaalsContact O-N 3.07Å; T4-Q6 PolarHBondContact O-N 3.33Å
5S41.5Very low66.7Low78 Ų7894.3 Ų94.355%0.54552%0.516SS..  trans-64.5122.9161.355.30000107.6F3 G7F3-S5 PolarHBondContact O-N 3.21Å; S5-G7 PolarHBondContact O-N 2.78Å
6Q42.3Very low68.7Low199 Ų19990.3 Ų90.393%0.9349%0.491SS*.  trans-65.490.4164.2-72.5177.8-26.800107.1T4 T8T4-Q6 PolarHBondContact O-N 3.33Å; Q6-T8 PolarHBondContact O-N 3.07Å
7G51.2Low70.4Confident60 Ų6085.4 Ų85.462%0.61947%0.465SS*.PPolyproline II helixtrans-66.2125-172.600000111S5S5-G7 PolarHBondContact O-N 2.78Å
8T63.8Low71.9Confident130 Ų13082.7 Ų82.780%0.79846%0.46SS*.PPolyproline II helixtrans-52.6137.3155.141.70000108.4Q6 K10Q6-T8 PolarHBondContact O-N 3.07Å; T8-K10 PolarHBondContact O-N 2.78Å
9K81.6Confident73.3Confident181 Ų18181.7 Ų81.779%0.78745%0.454SS*.PPolyproline II helixtrans-55.4127.3176.9-73.9-174.8176.3-1780109K11K9-K11 PolarHBondContact O-N 3.05Å
10K91.9Very high74.5Confident31 Ų3177.7 Ų77.714%0.13543%0.431CS..PPolyproline II helixtrans-61.6135.9177.9-73.8-169-179.1-174.80110.3T8 D131 I132 K290 N293T8-K10 PolarHBondContact O-N 2.78Å; K10-D131 VanDerWaalsContact CA-OD2 3.32Å; K10-D131 WeakPolarHBondContact CA-OD2 2.93Å; K10-D131 HydrophobicContact CB-CB 3.85Å; K10-D131 HydrophobicContact CD-CB 4.1Å; K10-D131 HydrophobicContact CG-CB 3.99Å; K10-I132 HydrophobicContact CB-CD1 4.37Å; K10-I132 HydrophobicContact CD-CD1 3.98Å; K10-I132 HydrophobicContact CD-CG1 4.16Å; K10-K290 HydrophobicContact CD-CG 4.33Å; K10-K290 PolarHBondContact NZ-O 3.4Å; K10-N293 WeakPolarHBondContact CE-OD1 3.39Å; K10-N293 PolarHBondContact NZ-OD1 2.74Å
11K97.6Very high75.6Confident76 Ų7674.2 Ų74.233%0.3341%0.413SS..PPolyproline II helixtrans-75.3135171.6-172.9174.2173.5-166.70109.5K9 E53 Q129 T130 D131 I132K9-K11 PolarHBondContact O-N 3.05Å; K11-E53 WeakPolarHBondContact CE-OE1 3.45Å; K11-E53 WeakPolarHBondContact CE-OE2 3.48Å; K11-E53 IonicContact NZ-OE1 2.81Å; K11-E53 PolarHBondContact NZ-OE1 3.02Å; K11-E53 IonicContact NZ-OE2 3.83Å; K11-E53 PolarHBondContact NZ-OE2 2.82Å; K11-Q129 VanDerWaalsContact CD-O 3.3Å; K11-Q129 WeakPolarHBondContact CD-O 3.43Å; K11-Q129 WeakPolarHBondContact CE-O 3.43Å; K11-Q129 PolarHBondContact NZ-O 2.86Å; K11-T130 PolarHBondContact O-OG1 2.65Å; K11-D131 PolarHBondContact N-OD2 2.36Å; K11-D131 PolarHBondContact O-N 3.2Å; K11-D131 VanDerWaalsContact O-N 3.14Å; K11-I132 PolarHBondContact O-N 3.23Å
12V98.7Very high78.7Confident3 Ų367.8 Ų67.82%0.01838%0.383CS..EExtended strand (participates in β ladder)trans-124.3126.3-178-174.50000109.3M52 E53 I132 I134 L321V12-M52 HydrophobicContact CB-CB 4.13Å; V12-M52 HydrophobicContact CG1-CB 4.21Å; V12-M52 WeakPolarHBondContact O-CA 3.3Å; V12-M52 WeakPolarHBondContact O-CB 3.21Å; V12-E53 PolarHBondContact O-N 2.84Å; V12-I132 WeakPolarHBondContact CA-O 3.32Å; V12-I132 HydrophobicContact CG1-CB 4.42Å; V12-I132 HydrophobicContact CG1-CG2 4.49Å; V12-I132 HydrophobicContact CG2-CB 4.2Å; V12-I132 HydrophobicContact CG2-CD1 4.34Å; V12-I134 HydrophobicContact CG1-CD1 3.62Å; V12-I134 HydrophobicContact CG1-CG1 4.02Å; V12-L321 HydrophobicContact CB-CD2 3.85Å; V12-L321 HydrophobicContact CG1-CD2 4.4Å; V12-L321 HydrophobicContact CG2-CD2 3.64Å; V12-L321 HydrophobicContact CG2-CG 4.3Å
13C98.8Very high81.9Confident0 Ų064.6 Ų64.60%035%0.351CS..EExtended strand (participates in β ladder)trans-105.9141.8166.9-610000109.3Y15 E53 Y55 T130 I132 A133 I134C13-Y15 HydrophobicContact CB-CE2 4.34Å; C13-E53 CarbonylContact C-O 3.57Å; C13-E53 WeakPolarHBondContact CA-O 3.23Å; C13-E53 PolarHBondContact SG-OE2 3.46Å; C13-Y55 HydrophobicContact CB-CD2 4.09Å; C13-Y55 HydrophobicContact CB-CE2 4.03Å; C13-T130 HydrophobicContact CB-CG2 4.4Å; C13-T130 PolarHBondContact N-OG1 3.38Å; C13-T130 WeakPolarHBondContact SG-CB 3.41Å; C13-T130 PolarHBondContact SG-OG1 3.17Å; C13-T130 VanDerWaalsContact SG-OG1 3.36Å; C13-I132 PolarHBondContact N-O 3.14Å; C13-A133 CarbonylContact O-C 3.59Å; C13-A133 WeakPolarHBondContact O-CA 3.23Å; C13-I134 PolarHBondContact O-N 3.38Å
14Y98.9Very high84.9Confident0 Ų061.3 Ų61.30%033%0.334CS..EExtended strand (participates in β ladder)trans-131.2129.3-178.5166.5-100.4000110.6Y16 H40 L43 M52 E53 I54 Y55 I134 W136Y14-Y16 HydrophobicContact CE1-CG 4.37Å; Y14-H40 AromaticContact CE1-CE1 3.93Å; Y14-H40 AromaticContact CE1-ND1 3.43Å; Y14-H40 WeakPolarHBondContact CE1-ND1 3.26Å; Y14-H40 AromaticContact CZ-ND1 3.77Å; Y14-H40 PolarHBondContact OH-ND1 2.95Å; Y14-L43 HydrophobicContact CE2-CD1 4Å; Y14-M52 HydrophobicContact CD1-CE 3.59Å; Y14-M52 HydrophobicContact CD1-SD 4.44Å; Y14-M52 HydrophobicContact CD2-CE 4.41Å; Y14-M52 HydrophobicContact CE1-CE 4.21Å; Y14-M52 HydrophobicContact CG-CE 3.69Å; Y14-M52 HydrophobicContact CG-SD 4.01Å; Y14-E53 PolarHBondContact N-O 2.84Å; Y14-I54 HydrophobicContact CD1-CD1 4.16Å; Y14-I54 HydrophobicContact CD1-CG1 4Å; Y14-I54 HydrophobicContact CD1-CG2 4.11Å; Y14-I54 WeakPolarHBondContact O-CA 3.32Å; Y14-Y55 PolarHBondContact O-N 2.84Å; Y14-I134 WeakPolarHBondContact CA-O 3.22Å; Y14-I134 HydrophobicContact CD2-CB 4.05Å; Y14-I134 HydrophobicContact CD2-CG2 3.91Å; Y14-I134 HydrophobicContact CE2-CG2 4.46Å; Y14-W136 AromaticContact CE2-CD1 3.58Å; Y14-W136 HydrophobicContact CE2-CG 4.41Å
15Y98.9Very high87.8Confident12 Ų1255.4 Ų55.45%0.04730%0.298CS..EExtended strand (participates in β ladder)trans-104.5128.3-176.3-69.2-90.2000111.6C13 Y55 P57 A120 K124 A133 I134C13-Y15 HydrophobicContact CB-CE2 4.34Å; Y15-Y55 WeakPolarHBondContact CA-O 3.45Å; Y15-Y55 HydrophobicContact CE1-CG 4.24Å; Y15-P57 HydrophobicContact CD1-CB 4.32Å; Y15-A120 HydrophobicContact CD1-CB 4.26Å; Y15-A120 HydrophobicContact CE1-CB 3.51Å; Y15-A120 VanDerWaalsContact OH-C 3.32Å; Y15-A120 PolarHBondContact OH-O 3.23Å; Y15-K124 WeakPolarHBondContact OH-CG 3.24Å; Y15-A133 HydrophobicContact CE2-CB 4.43Å; Y15-I134 PolarHBondContact N-O 2.7Å
16Y98.8Very high90.4Very high30 Ų3052.8 Ų52.812%0.11828%0.283CS..  trans-154.9138.9177.2176.2-100.8000112Y14 V20 I36 H40 Y55 R56 P57Y14-Y16 HydrophobicContact CE1-CG 4.37Å; Y16-V20 HydrophobicContact CD2-CG1 4.23Å; Y16-V20 HydrophobicContact CE2-CG1 3.84Å; Y16-I36 HydrophobicContact CD2-CG2 4.14Å; Y16-I36 HydrophobicContact CE2-CG2 4.19Å; Y16-H40 AromaticContact CD1-CD2 3.87Å; Y16-H40 AromaticContact CD1-CE1 3.34Å; Y16-H40 WeakPolarHBondContact CD1-CE1 3.5Å; Y16-H40 AromaticContact CD1-CG 3.71Å; Y16-H40 AromaticContact CD1-ND1 3.37Å; Y16-H40 WeakPolarHBondContact CD1-ND1 3.38Å; Y16-H40 AromaticContact CD1-NE2 3.66Å; Y16-H40 HydrophobicContact CD2-CB 3.91Å; Y16-H40 AromaticContact CD2-CG 3.89Å; Y16-H40 AromaticContact CD2-ND1 3.77Å; Y16-H40 HydrophobicContact CE1-CB 4.27Å; Y16-H40 AromaticContact CE1-CD2 3.48Å; Y16-H40 VanDerWaalsContact CE1-CD2 3.48Å; Y16-H40 WeakPolarHBondContact CE1-CD2 3.28Å; Y16-H40 AromaticContact CE1-CE1 3.78Å; Y16-H40 AromaticContact CE1-CG 3.58Å; Y16-H40 AromaticContact CE1-ND1 3.77Å; Y16-H40 AromaticContact CE1-NE2 3.62Å; Y16-H40 HydrophobicContact CE2-CB 3.59Å; Y16-H40 AromaticContact CE2-CG 3.77Å; Y16-H40 HydrophobicContact CG-CB 4.38Å; Y16-H40 AromaticContact CG-CE1 3.77Å; Y16-H40 AromaticContact CG-CG 3.84Å; Y16-H40 AromaticContact CG-ND1 3.36Å; Y16-H40 AromaticContact CZ-CD2 3.78Å; Y16-H40 AromaticContact CZ-CG 3.61Å; Y16-Y55 PolarHBondContact N-O 2.82Å; Y16-R56 WeakPolarHBondContact O-CA 3.44Å; Y16-P57 VanDerWaalsContact C-CD 3.49Å; Y16-P57 WeakPolarHBondContact O-CD 3.44Å
17D98.6Very high93Very high8 Ų852.1 Ų52.14%0.04328%0.279CS..  trans-118.3133.6168.1-167.2-53.4000109D19 V20 R56 P57 L113D17-D19 PolarHBondContact O-N 3.17Å; D17-D19 WeakPolarHBondContact OD1-CB 3.22Å; D17-D19 PolarHBondContact OD1-N 3.16Å; D17-V20 WeakPolarHBondContact O-CB 3.39Å; D17-V20 WeakPolarHBondContact O-CG1 3.42Å; D17-V20 PolarHBondContact O-N 3.02Å; D17-R56 HydrophobicContact CB-CG 4.47Å; D17-R56 VanDerWaalsContact CG-NH2 3.27Å; D17-R56 IonicContact OD1-CZ 3.98Å; D17-R56 IonicContact OD1-NE 2.72Å; D17-R56 IonicContact OD1-NH2 3.63Å; D17-R56 PolarHBondContact OD1-NH2 2.85Å; D17-R56 IonicContact OD2-CZ 3.58Å; D17-R56 VanDerWaalsContact OD2-CZ 3.24Å; D17-R56 IonicContact OD2-NE 2.72Å; D17-R56 PolarHBondContact OD2-NE 3.16Å; D17-R56 IonicContact OD2-NH2 3.89Å; D17-R56 PolarHBondContact OD2-NH2 2.82Å; D17-P57 HydrophobicContact CB-CG 4.08Å; D17-L113 HydrophobicContact CB-CD1 4.1Å; D17-L113 HydrophobicContact CB-CD2 3.88Å; D17-L113 HydrophobicContact CB-CG 4.48Å; D17-L113 WeakPolarHBondContact OD2-CD2 3.44Å
18G97.7Very high95.1Very high36 Ų3652.3 Ų52.337%0.37128%0.282SS..G310 helixtrans-59.6-26.2-179.900000114.2V20G18-V20 VanDerWaalsContact C-N 3.33Å
19D97.6Very high96.7Very high65 Ų6547.2 Ų47.235%0.34825%0.249SC..G310 helixtrans-74.7-23.2-179.1-65.6-42.2000112.6D17 G21 N22 Y23 R56 L113D17-D19 PolarHBondContact O-N 3.17Å; D17-D19 WeakPolarHBondContact OD1-CB 3.22Å; D17-D19 PolarHBondContact OD1-N 3.16Å; D19-G21 PolarHBondContact O-N 3.2Å; D19-G21 VanDerWaalsContact O-N 3.1Å; D19-N22 WeakPolarHBondContact O-CB 3.36Å; D19-N22 PolarHBondContact O-N 3.1Å; D19-Y23 HydrophobicContact CB-CE2 4.23Å; D19-Y23 WeakPolarHBondContact O-CD2 3.39Å; D19-Y23 WeakPolarHBondContact O-CE2 3.32Å; D19-R56 IonicContact OD2-NH2 3.16Å; D19-R56 PolarHBondContact OD2-NH2 2.67Å; D19-R56 VanDerWaalsContact OD2-NH2 3.12Å; D19-L113 HydrophobicContact CB-CD1 4.41Å
20V97.6Very high97.5Very high1 Ų139.7 Ų39.71%0.00622%0.219CC..G310 helixtrans-59-32.5-173.181.50000113.1Y16 D17 G18 N22 P33 I36 F110 A137Y16-V20 HydrophobicContact CD2-CG1 4.23Å; Y16-V20 HydrophobicContact CE2-CG1 3.84Å; D17-V20 WeakPolarHBondContact O-CB 3.39Å; D17-V20 WeakPolarHBondContact O-CG1 3.42Å; D17-V20 PolarHBondContact O-N 3.02Å; G18-V20 VanDerWaalsContact C-N 3.33Å; V20-N22 VanDerWaalsContact C-N 3.25Å; V20-N22 PolarHBondContact O-N 3.18Å; V20-P33 WeakPolarHBondContact O-CB 3.36Å; V20-I36 HydrophobicContact CG1-CB 4.03Å; V20-I36 HydrophobicContact CG1-CD1 4.31Å; V20-I36 HydrophobicContact CG1-CG2 3.7Å; V20-I36 HydrophobicContact CG2-CD1 3.83Å; V20-F110 HydrophobicContact CG2-CD2 4.33Å; V20-F110 HydrophobicContact CG2-CE2 4.27Å; V20-A137 HydrophobicContact CG2-CB 3.93Å
21G96.7Very high97.8Very high5 Ų538.9 Ų38.95%0.05222%0.215CC..G310 helixtrans-76.9-6.5179.800000115.2D19 H34D19-G21 PolarHBondContact O-N 3.2Å; D19-G21 VanDerWaalsContact O-N 3.1Å; G21-H34 PolarHBondContact O-ND1 3.02Å
22N98.1Very high97.8Very high92 Ų9237.3 Ų37.349%0.49221%0.209SC..THydrogen-bonded Turntrans-99.8-22.5-174.4-54.5-27000112.5D19 V20 R37D19-N22 WeakPolarHBondContact O-CB 3.36Å; D19-N22 PolarHBondContact O-N 3.1Å; V20-N22 VanDerWaalsContact C-N 3.25Å; V20-N22 PolarHBondContact O-N 3.18Å; N22-R37 PolarHBondContact OD1-NH1 2.74Å
23Y98.4Very high97.8Very high25 Ų2537.3 Ų37.310%0.09821%0.209CC..  trans-65.2139176.2-60.9-78.2000111.7D19 P33 G106 E109 F110 L113D19-Y23 HydrophobicContact CB-CE2 4.23Å; D19-Y23 WeakPolarHBondContact O-CD2 3.39Å; D19-Y23 WeakPolarHBondContact O-CE2 3.32Å; Y23-P33 WeakPolarHBondContact O-CD 3.41Å; Y23-P33 WeakPolarHBondContact O-CG 3.38Å; Y23-G106 WeakPolarHBondContact CE1-O 3.26Å; Y23-E109 HydrophobicContact CE1-CB 4Å; Y23-E109 VanDerWaalsContact OH-CB 3.26Å; Y23-E109 WeakPolarHBondContact OH-CB 3.41Å; Y23-E109 PolarHBondContact OH-OE2 2.98Å; Y23-F110 HydrophobicContact CD1-CB 4.11Å; Y23-F110 HydrophobicContact CD2-CB 4.05Å; Y23-F110 HydrophobicContact CD2-CD2 4.04Å; Y23-F110 HydrophobicContact CE1-CB 4.5Å; Y23-F110 HydrophobicContact CE2-CB 4.44Å; Y23-F110 HydrophobicContact CG-CB 3.88Å; Y23-F110 HydrophobicContact CG-CD2 4.24Å; Y23-F110 HydrophobicContact CG-CG 4.48Å; Y23-L113 HydrophobicContact CE2-CD1 3.76Å
24Y98.1Very high97.8Very high127 Ų12739.6 Ų39.650%0.49822%0.219SC..  trans-134.1109.8-169.3-176.6-106.4000111.8G26 Q27 F104Y24-G26 VanDerWaalsContact CZ-C 3.44Å; Y24-G26 VanDerWaalsContact CZ-O 3.26Å; Y24-G26 PolarHBondContact O-N 2.7Å; Y24-G26 VanDerWaalsContact O-N 3.08Å; Y24-G26 PolarHBondContact OH-O 3.44Å; Y24-Q27 WeakPolarHBondContact OH-CA 3.4Å; Y24-F104 VanDerWaalsContact O-CB 3.29Å; Y24-F104 WeakPolarHBondContact O-CB 3.38Å
25Y97.6Very high97.8Very high5 Ų540 Ų402%0.0222%0.221CC..  trans-63-12.9179.6-85-118.4000114.6H29 M31 P33 P102 F104 F110 F151 Y153Y25-H29 WeakPolarHBondContact CB-ND1 3.4Å; Y25-H29 AromaticContact CD1-CE1 3.3Å; Y25-H29 WeakPolarHBondContact CD1-CE1 3.32Å; Y25-H29 AromaticContact CD1-ND1 3.62Å; Y25-H29 AromaticContact CD1-NE2 3.84Å; Y25-H29 AromaticContact CG-CE1 3.97Å; Y25-H29 AromaticContact CG-ND1 3.8Å; Y25-M31 HydrophobicContact CD1-CB 4.06Å; Y25-M31 HydrophobicContact CD1-CG 4.24Å; Y25-M31 HydrophobicContact CD2-CB 4.34Å; Y25-M31 HydrophobicContact CD2-CG 3.9Å; Y25-M31 HydrophobicContact CE1-CB 4.1Å; Y25-M31 HydrophobicContact CE1-CG 3.94Å; Y25-M31 HydrophobicContact CE2-CB 4.4Å; Y25-M31 HydrophobicContact CE2-CG 3.59Å; Y25-M31 HydrophobicContact CG-CB 4.16Å; Y25-M31 HydrophobicContact CG-CG 4.21Å; Y25-P33 HydrophobicContact CD2-CG 3.93Å; Y25-P33 HydrophobicContact CE2-CG 3.86Å; Y25-P102 HydrophobicContact CD1-CG 4.11Å; Y25-P102 WeakPolarHBondContact O-CG 3.45Å; Y25-F104 HydrophobicContact CD1-CE1 4.08Å; Y25-F104 AromaticContact CD2-CE1 3.84Å; Y25-F104 HydrophobicContact CD2-CE1 3.84Å; Y25-F104 AromaticContact CD2-CZ 3.93Å; Y25-F104 HydrophobicContact CD2-CZ 3.93Å; Y25-F104 HydrophobicContact CE1-CE1 4.22Å; Y25-F104 AromaticContact CE2-CE1 3.96Å; Y25-F104 HydrophobicContact CE2-CE1 3.96Å; Y25-F104 AromaticContact CE2-CZ 3.85Å; Y25-F104 HydrophobicContact CE2-CZ 3.85Å; Y25-F104 HydrophobicContact CG-CD1 4.3Å; Y25-F104 AromaticContact CG-CE1 3.92Å; Y25-F104 HydrophobicContact CG-CE1 3.92Å; Y25-F104 HydrophobicContact CG-CZ 4.47Å; Y25-F110 HydrophobicContact CE2-CD1 4.43Å; Y25-F110 AromaticContact CE2-CE1 3.95Å; Y25-F110 HydrophobicContact CE2-CE1 3.95Å; Y25-F110 HydrophobicContact CE2-CZ 4.08Å; Y25-F110 VanDerWaalsContact OH-CE1 3.26Å; Y25-F110 WeakPolarHBondContact OH-CE1 3.37Å; Y25-F151 HydrophobicContact CE1-CB 3.97Å; Y25-F151 WeakPolarHBondContact CE1-O 3.37Å; Y25-F151 PolarHBondContact OH-O 3.08Å; Y25-Y153 AromaticContact CE1-CE2 3.81Å; Y25-Y153 HydrophobicContact CE1-CE2 3.81Å; Y25-Y153 AromaticContact CZ-CE2 3.91Å
26G96.1Very high97.8Very high22 Ų2239.6 Ų39.623%0.22722%0.219CC..  trans122.7171.6-179.200000115Y24 K32Y24-G26 VanDerWaalsContact CZ-C 3.44Å; Y24-G26 VanDerWaalsContact CZ-O 3.26Å; Y24-G26 PolarHBondContact O-N 2.7Å; Y24-G26 VanDerWaalsContact O-N 3.08Å; Y24-G26 PolarHBondContact OH-O 3.44Å; G26-K32 PolarHBondContact O-NZ 3.25Å
27Q96.2Very high97.8Very high185 Ų18542.3 Ų42.386%0.86423%0.23SC*.SBendtrans-67.3139.3179-169.8176.17.500110.5Y24 H29Y24-Q27 WeakPolarHBondContact OH-CA 3.4Å; Q27-H29 PolarHBondContact O-N 3.38Å
28G95.4Very high97.8Very high65 Ų6542 Ų4267%0.6723%0.228SC*.SBendtrans74.9-32.8-17800000115.3
29H98.1Very high97.9Very high22 Ų2240.2 Ų40.210%0.10221%0.21CC..  trans-52.7133.3-174.2-165.5-82.9000113.4Y25 Q27 M31 K32 D100 F151Y25-H29 WeakPolarHBondContact CB-ND1 3.4Å; Y25-H29 AromaticContact CD1-CE1 3.3Å; Y25-H29 WeakPolarHBondContact CD1-CE1 3.32Å; Y25-H29 AromaticContact CD1-ND1 3.62Å; Y25-H29 AromaticContact CD1-NE2 3.84Å; Y25-H29 AromaticContact CG-CE1 3.97Å; Y25-H29 AromaticContact CG-ND1 3.8Å; Q27-H29 PolarHBondContact O-N 3.38Å; H29-M31 VanDerWaalsContact CE1-CB 3.49Å; H29-M31 WeakPolarHBondContact CE1-CB 3.22Å; H29-M31 PolarHBondContact ND1-N 2.86Å; H29-M31 VanDerWaalsContact ND1-N 3.19Å; H29-K32 WeakPolarHBondContact O-CE 3.26Å; H29-K32 PolarHBondContact O-NZ 3.12Å; H29-D100 PolarHBondContact NE2-O 2.96Å; H29-F151 AromaticContact CE1-CD1 3.25Å; H29-F151 WeakPolarHBondContact CE1-CD1 3.18Å; H29-F151 AromaticContact CE1-CE1 3.59Å; H29-F151 AromaticContact CE1-CG 3.88Å; H29-F151 AromaticContact NE2-CD1 3.28Å; H29-F151 VanDerWaalsContact NE2-CD1 3.28Å; H29-F151 WeakPolarHBondContact NE2-CD1 3.26Å; H29-F151 AromaticContact NE2-CE1 3.43Å; H29-F151 WeakPolarHBondContact NE2-CE1 3.26Å
30P97.5Very high97.9Very high24 Ų2438.3 Ų38.316%0.15620%0.199CC..SBendtrans-73.2-37.1-172.928.4-35.3000113.8K32 F151 L272 Y304P30-K32 PolarHBondContact O-N 3.29Å; P30-F151 HydrophobicContact CG-CE1 4.11Å; P30-F151 HydrophobicContact CG-CE2 4.06Å; P30-F151 HydrophobicContact CG-CZ 3.56Å; P30-L272 HydrophobicContact CB-CD1 4.03Å; P30-L272 HydrophobicContact CB-CD2 4.48Å; P30-L272 HydrophobicContact CB-CG 4.43Å; P30-L272 HydrophobicContact CG-CD1 3.98Å; P30-Y304 HydrophobicContact CB-CD1 3.88Å; P30-Y304 HydrophobicContact CB-CG 4.37Å
31M98Very high98Very high13 Ų1339.1 Ų39.16%0.06420%0.203CC..  trans-62.8126.7174.9-177.855.275.500110.7Y25 H29 R35 F151 Y304Y25-M31 HydrophobicContact CD1-CB 4.06Å; Y25-M31 HydrophobicContact CD1-CG 4.24Å; Y25-M31 HydrophobicContact CD2-CB 4.34Å; Y25-M31 HydrophobicContact CD2-CG 3.9Å; Y25-M31 HydrophobicContact CE1-CB 4.1Å; Y25-M31 HydrophobicContact CE1-CG 3.94Å; Y25-M31 HydrophobicContact CE2-CB 4.4Å; Y25-M31 HydrophobicContact CE2-CG 3.59Å; Y25-M31 HydrophobicContact CG-CB 4.16Å; Y25-M31 HydrophobicContact CG-CG 4.21Å; H29-M31 VanDerWaalsContact CE1-CB 3.49Å; H29-M31 WeakPolarHBondContact CE1-CB 3.22Å; H29-M31 PolarHBondContact ND1-N 2.86Å; H29-M31 VanDerWaalsContact ND1-N 3.19Å; M31-R35 PolarHBondContact SD-NH2 3.29Å; M31-F151 HydrophobicContact CB-CB 4.33Å; M31-F151 HydrophobicContact CB-CD2 4.45Å; M31-F151 HydrophobicContact CB-CG 4.28Å; M31-F151 HydrophobicContact CE-CB 4.32Å; M31-F151 HydrophobicContact CE-CD2 4.39Å; M31-Y304 HydrophobicContact CE-CE1 4.07Å
32K98.5Very high98.1Very high44 Ų4438.9 Ų38.919%0.19120%0.201CC..  trans-134.396.1178.9-64.1-60.4175.1-137.90110.1G26 H29 P30 H34 R35 I306G26-K32 PolarHBondContact O-NZ 3.25Å; H29-K32 WeakPolarHBondContact O-CE 3.26Å; H29-K32 PolarHBondContact O-NZ 3.12Å; P30-K32 PolarHBondContact O-N 3.29Å; K32-H34 PolarHBondContact O-N 3.38Å; K32-R35 WeakPolarHBondContact O-CD 3.49Å; K32-R35 VanDerWaalsContact O-CG 3.24Å; K32-R35 WeakPolarHBondContact O-CG 3.17Å; K32-R35 PolarHBondContact O-N 2.79Å; K32-I306 HydrophobicContact CB-CG2 4.05Å
33P98.5Very high98.1Very high3 Ų334.6 Ų34.62%0.01918%0.177CC..THydrogen-bonded Turntrans-52.3-27177.5-30.838.3000114.5V20 Y23 Y25 R35 I36 F110V20-P33 WeakPolarHBondContact O-CB 3.36Å; Y23-P33 WeakPolarHBondContact O-CD 3.41Å; Y23-P33 WeakPolarHBondContact O-CG 3.38Å; Y25-P33 HydrophobicContact CD2-CG 3.93Å; Y25-P33 HydrophobicContact CE2-CG 3.86Å; P33-R35 PolarHBondContact O-N 3.03Å; P33-I36 WeakPolarHBondContact O-CB 3.43Å; P33-I36 WeakPolarHBondContact O-CG1 3.35Å; P33-I36 PolarHBondContact O-N 3.23Å; P33-F110 HydrophobicContact CB-CD2 4.49Å; P33-F110 HydrophobicContact CB-CE2 3.95Å; P33-F110 HydrophobicContact CG-CD2 4.3Å; P33-F110 HydrophobicContact CG-CE2 3.77Å; P33-F110 HydrophobicContact CG-CZ 4.28Å
34H98.6Very high98.1Very high47 Ų4736.1 Ų36.122%0.21819%0.187CC..Hα-helixtrans-46.7-29.9171.4-165.171.5000115.2G21 K32 I36 R37 M38 Y334G21-H34 PolarHBondContact O-ND1 3.02Å; K32-H34 PolarHBondContact O-N 3.38Å; H34-I36 PolarHBondContact O-N 3.28Å; H34-R37 PolarHBondContact O-N 3.35Å; H34-M38 PolarHBondContact O-N 3.34Å; H34-Y334 AromaticContact CE1-CE1 3.58Å; H34-Y334 AromaticContact CE1-CZ 3.7Å; H34-Y334 AromaticContact NE2-CD1 3.81Å; H34-Y334 AromaticContact NE2-CE1 3.36Å; H34-Y334 WeakPolarHBondContact NE2-CE1 3.36Å; H34-Y334 AromaticContact NE2-CZ 3.76Å
35R98.8Very high98.1Very high8 Ų833.6 Ų33.63%0.0318%0.182CC..Hα-helixtrans-56.6-30.1174.872.2-160.3172.9113.37.8113.4M31 K32 P33 T39 G301 G302 G303 I306 V309 W313M31-R35 PolarHBondContact SD-NH2 3.29Å; K32-R35 WeakPolarHBondContact O-CD 3.49Å; K32-R35 VanDerWaalsContact O-CG 3.24Å; K32-R35 WeakPolarHBondContact O-CG 3.17Å; K32-R35 PolarHBondContact O-N 2.79Å; P33-R35 PolarHBondContact O-N 3.03Å; R35-T39 PolarHBondContact O-N 3.16Å; R35-T39 PolarHBondContact O-OG1 3.07Å; R35-G301 VanDerWaalsContact CZ-O 3.28Å; R35-G301 PolarHBondContact NH1-O 3.3Å; R35-G301 PolarHBondContact NH2-O 2.98Å; R35-G302 PolarHBondContact NH1-O 2.97Å; R35-G303 PolarHBondContact NH1-O 2.9Å; R35-I306 HydrophobicContact CB-CB 3.93Å; R35-I306 HydrophobicContact CB-CG2 3.95Å; R35-V309 HydrophobicContact CB-CB 4.44Å; R35-V309 HydrophobicContact CB-CG1 4.28Å; R35-V309 HydrophobicContact CG-CG1 4.15Å; R35-W313 HydrophobicContact CG-CZ3 4.27Å; R35-W313 VanDerWaalsContact NH1-CH2 3.29Å
36I98.8Very high98.1Very high4 Ų434.7 Ų34.72%0.02119%0.187CC..Hα-helixtrans-69.8-43176.8-55.1157.9000109.8Y16 V20 P33 H34 T39 H40 W136 A137 W313Y16-I36 HydrophobicContact CD2-CG2 4.14Å; Y16-I36 HydrophobicContact CE2-CG2 4.19Å; V20-I36 HydrophobicContact CG1-CB 4.03Å; V20-I36 HydrophobicContact CG1-CD1 4.31Å; V20-I36 HydrophobicContact CG1-CG2 3.7Å; V20-I36 HydrophobicContact CG2-CD1 3.83Å; P33-I36 WeakPolarHBondContact O-CB 3.43Å; P33-I36 WeakPolarHBondContact O-CG1 3.35Å; P33-I36 PolarHBondContact O-N 3.23Å; H34-I36 PolarHBondContact O-N 3.28Å; I36-T39 WeakPolarHBondContact O-CB 3.45Å; I36-T39 PolarHBondContact O-N 3.39Å; I36-H40 PolarHBondContact O-N 3.35Å; I36-W136 HydrophobicContact CG2-CB 4.49Å; I36-A137 HydrophobicContact CD1-CB 3.94Å; I36-A137 HydrophobicContact CG2-CB 4.45Å; I36-W313 HydrophobicContact CG1-CZ3 4.13Å
37R98.8Very high98.2Very high88 Ų8834 Ų3433%0.33218%0.179SC..Hα-helixtrans-67-38.3175.2179.6170.1176.3169.62.6112.3N22 H34 T39 H40 N41 Y334N22-R37 PolarHBondContact OD1-NH1 2.74Å; H34-R37 PolarHBondContact O-N 3.35Å; R37-T39 VanDerWaalsContact C-N 3.35Å; R37-H40 PolarHBondContact O-N 2.94Å; R37-N41 WeakPolarHBondContact O-CB 3.39Å; R37-N41 PolarHBondContact O-N 3.04Å; R37-Y334 WeakPolarHBondContact CD-OH 3.23Å; R37-Y334 HydrophobicContact CG-CE2 4.27Å; R37-Y334 PolarHBondContact NE-OH 3.43Å
38M98.8Very high98.3Very high0 Ų025.2 Ų25.20%014%0.138CC..Hα-helixtrans-60.6-43.6170.7-65.3177.573.600111.8H34 N41 L42 I306 A310 Y334 Y337 F338H34-M38 PolarHBondContact O-N 3.34Å; M38-N41 PolarHBondContact O-N 3.24Å; M38-L42 PolarHBondContact O-N 3.32Å; M38-L42 VanDerWaalsContact O-N 3.09Å; M38-I306 HydrophobicContact SD-CB 4.29Å; M38-I306 HydrophobicContact SD-CD1 3.77Å; M38-I306 HydrophobicContact SD-CG1 3.95Å; M38-A310 HydrophobicContact CB-CB 3.8Å; M38-Y334 HydrophobicContact CB-CD2 4.25Å; M38-Y334 HydrophobicContact CG-CD2 3.9Å; M38-Y334 HydrophobicContact CG-CE2 4.32Å; M38-Y334 HydrophobicContact CG-CG 4.01Å; M38-Y337 HydrophobicContact CE-CD1 3.88Å; M38-Y337 HydrophobicContact CE-CG 3.82Å; M38-F338 HydrophobicContact CE-CE1 4.49Å; M38-F338 HydrophobicContact CE-CE2 4.38Å; M38-F338 HydrophobicContact CE-CZ 3.91Å
39T98.9Very high98.4Very high0 Ų026.8 Ų26.80%012%0.124CC..Hα-helixtrans-60-50.8175.1-52.80000110.6R35 I36 R37 N41 L42 L43 A310 W313R35-T39 PolarHBondContact O-N 3.16Å; R35-T39 PolarHBondContact O-OG1 3.07Å; I36-T39 WeakPolarHBondContact O-CB 3.45Å; I36-T39 PolarHBondContact O-N 3.39Å; R37-T39 VanDerWaalsContact C-N 3.35Å; T39-N41 VanDerWaalsContact C-N 3.33Å; T39-N41 PolarHBondContact O-N 3.01Å; T39-L42 PolarHBondContact O-N 3Å; T39-L43 HydrophobicContact CG2-CD1 4.18Å; T39-L43 HydrophobicContact CG2-CG 4.45Å; T39-L43 WeakPolarHBondContact O-CG 3.46Å; T39-L43 PolarHBondContact O-N 3.43Å; T39-A310 WeakPolarHBondContact OG1-CA 3.43Å; T39-W313 HydrophobicContact CG2-CB 3.6Å; T39-W313 HydrophobicContact CG2-CE3 4.43Å
40H98.8Very high98.4Very high25 Ų2534.3 Ų34.312%0.11615%0.152CC..Hα-helixtrans-55.6-47.1178.7-173.178.9000112.3Y14 Y16 I36 R37 L42 L43 L44Y14-H40 AromaticContact CE1-CE1 3.93Å; Y14-H40 AromaticContact CE1-ND1 3.43Å; Y14-H40 WeakPolarHBondContact CE1-ND1 3.26Å; Y14-H40 AromaticContact CZ-ND1 3.77Å; Y14-H40 PolarHBondContact OH-ND1 2.95Å; Y16-H40 AromaticContact CD1-CD2 3.87Å; Y16-H40 AromaticContact CD1-CE1 3.34Å; Y16-H40 WeakPolarHBondContact CD1-CE1 3.5Å; Y16-H40 AromaticContact CD1-CG 3.71Å; Y16-H40 AromaticContact CD1-ND1 3.37Å; Y16-H40 WeakPolarHBondContact CD1-ND1 3.38Å; Y16-H40 AromaticContact CD1-NE2 3.66Å; Y16-H40 HydrophobicContact CD2-CB 3.91Å; Y16-H40 AromaticContact CD2-CG 3.89Å; Y16-H40 AromaticContact CD2-ND1 3.77Å; Y16-H40 HydrophobicContact CE1-CB 4.27Å; Y16-H40 AromaticContact CE1-CD2 3.48Å; Y16-H40 VanDerWaalsContact CE1-CD2 3.48Å; Y16-H40 WeakPolarHBondContact CE1-CD2 3.28Å; Y16-H40 AromaticContact CE1-CE1 3.78Å; Y16-H40 AromaticContact CE1-CG 3.58Å; Y16-H40 AromaticContact CE1-ND1 3.77Å; Y16-H40 AromaticContact CE1-NE2 3.62Å; Y16-H40 HydrophobicContact CE2-CB 3.59Å; Y16-H40 AromaticContact CE2-CG 3.77Å; Y16-H40 HydrophobicContact CG-CB 4.38Å; Y16-H40 AromaticContact CG-CE1 3.77Å; Y16-H40 AromaticContact CG-CG 3.84Å; Y16-H40 AromaticContact CG-ND1 3.36Å; Y16-H40 AromaticContact CZ-CD2 3.78Å; Y16-H40 AromaticContact CZ-CG 3.61Å; I36-H40 PolarHBondContact O-N 3.35Å; R37-H40 PolarHBondContact O-N 2.94Å; H40-L42 VanDerWaalsContact C-N 3.34Å; H40-L42 PolarHBondContact O-N 2.93Å; H40-L43 WeakPolarHBondContact O-CB 3.06Å; H40-L43 PolarHBondContact O-N 3.38Å; H40-L43 VanDerWaalsContact O-N 3.15Å; H40-L44 WeakPolarHBondContact O-CG 3.43Å; H40-L44 PolarHBondContact O-N 3.01Å
41N98.6Very high98.4Very high18 Ų1838.5 Ų38.510%0.09617%0.168CC..Hα-helixtrans-65.5-34.3-179.7-160.9-103.3000112.7R37 M38 T39 N45 N332 D333 Y334R37-N41 WeakPolarHBondContact O-CB 3.39Å; R37-N41 PolarHBondContact O-N 3.04Å; M38-N41 PolarHBondContact O-N 3.24Å; T39-N41 VanDerWaalsContact C-N 3.33Å; T39-N41 PolarHBondContact O-N 3.01Å; N41-N45 PolarHBondContact O-N 3.14Å; N41-N45 VanDerWaalsContact O-N 3.12Å; N41-N45 PolarHBondContact O-ND2 2.82Å; N41-N332 WeakPolarHBondContact OD1-CB 3.49Å; N41-D333 PolarHBondContact ND2-OD2 3.33Å; N41-D333 PolarHBondContact OD1-N 2.77Å; N41-Y334 HydrophobicContact CB-CD2 4.07Å; N41-Y334 HydrophobicContact CB-CE2 3.93Å
42L98.6Very high98.4Very high0 Ų038.8 Ų38.80%017%0.169CC..Hα-helixtrans-66.8-42.9169.6-77.2-177.7000112.6M38 T39 H40 L44 N45 Y46 A310 T314 L329 N332 F338M38-L42 PolarHBondContact O-N 3.32Å; M38-L42 VanDerWaalsContact O-N 3.09Å; T39-L42 PolarHBondContact O-N 3Å; H40-L42 VanDerWaalsContact C-N 3.34Å; H40-L42 PolarHBondContact O-N 2.93Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-L44 PolarHBondContact O-N 3.46Å; L42-N45 PolarHBondContact O-N 3.49Å; L42-Y46 WeakPolarHBondContact O-CB 3.4Å; L42-Y46 WeakPolarHBondContact O-CD2 3.22Å; L42-Y46 PolarHBondContact O-N 2.92Å; L42-A310 HydrophobicContact CD1-CB 4.05Å; L42-T314 HydrophobicContact CB-CG2 4.07Å; L42-T314 WeakPolarHBondContact CB-OG1 3.4Å; L42-L329 HydrophobicContact CD1-CD2 4.39Å; L42-L329 HydrophobicContact CD2-CD2 4.03Å; L42-N332 HydrophobicContact CD2-CB 4.43Å; L42-N332 WeakPolarHBondContact CD2-ND2 3.38Å; L42-F338 HydrophobicContact CD1-CE1 3.98Å; L42-F338 HydrophobicContact CD1-CE2 4.43Å; L42-F338 HydrophobicContact CD1-CZ 3.66Å; L42-F338 HydrophobicContact CD2-CE2 4.26Å; L42-F338 HydrophobicContact CD2-CZ 4.28Å; L42-F338 HydrophobicContact CG-CE2 4.5Å; L42-F338 HydrophobicContact CG-CZ 4.11Å
43L98.5Very high98.4Very high1 Ų140 Ų401%0.00518%0.176CC..Hα-helixtrans-59.8-39.5177.3-67.4172.5000112.1Y14 T39 H40 G47 L48 M52 T314 T317Y14-L43 HydrophobicContact CE2-CD1 4Å; T39-L43 HydrophobicContact CG2-CD1 4.18Å; T39-L43 HydrophobicContact CG2-CG 4.45Å; T39-L43 WeakPolarHBondContact O-CG 3.46Å; T39-L43 PolarHBondContact O-N 3.43Å; H40-L43 WeakPolarHBondContact O-CB 3.06Å; H40-L43 PolarHBondContact O-N 3.38Å; H40-L43 VanDerWaalsContact O-N 3.15Å; L43-G47 PolarHBondContact O-N 2.73Å; L43-L48 HydrophobicContact CD2-CB 4.39Å; L43-L48 HydrophobicContact CD2-CD1 3.67Å; L43-L48 PolarHBondContact O-N 3.3Å; L43-M52 HydrophobicContact CD1-CE 4.3Å; L43-T314 HydrophobicContact CD2-CG2 4.21Å; L43-T317 HydrophobicContact CD1-CG2 4.38Å; L43-T317 HydrophobicContact CD2-CG2 3.64Å
44L98.4Very high98.4Very high58 Ų5843.1 Ų43.130%0.30419%0.191SC..Hα-helixtrans-61.7-53.6173.1-68.8178.3000111.2H40 L42 Y46 G47 Y49H40-L44 WeakPolarHBondContact O-CG 3.43Å; H40-L44 PolarHBondContact O-N 3.01Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-L44 PolarHBondContact O-N 3.46Å; L44-Y46 PolarHBondContact O-N 3.36Å; L44-G47 WeakPolarHBondContact O-CA 3.41Å; L44-G47 PolarHBondContact O-N 3.31Å; L44-Y49 HydrophobicContact CD2-CD1 4.01Å; L44-Y49 HydrophobicContact CD2-CG 3.94Å; L44-Y49 WeakPolarHBondContact O-CD1 3.05Å; L44-Y49 WeakPolarHBondContact O-CE1 3.39Å
45N98.6Very high98.4Very high73 Ų7344.4 Ų44.439%0.3920%0.195SC..Hα-helixtrans-72.9-24.6-174.5-75.5-68.2000114N41 L42 G47 P330 Y331 N332N41-N45 PolarHBondContact O-N 3.14Å; N41-N45 VanDerWaalsContact O-N 3.12Å; N41-N45 PolarHBondContact O-ND2 2.82Å; L42-N45 PolarHBondContact O-N 3.49Å; N45-G47 PolarHBondContact O-N 2.8Å; N45-P330 HydrophobicContact CB-CB 3.99Å; N45-P330 HydrophobicContact CB-CG 3.71Å; N45-Y331 WeakPolarHBondContact CB-O 3.44Å; N45-Y331 PolarHBondContact OD1-O 3.29Å; N45-N332 HydrophobicContact CB-CB 4.25Å; N45-N332 WeakPolarHBondContact ND2-CB 3.4Å
46Y98.6Very high98.4Very high29 Ų2952 Ų5211%0.11422%0.223CC..THydrogen-bonded Turntrans-74.3-9165.1-88.5-68.2000113.1L42 L44 L48 T314 I325 P326 E328 L329 P330 L344L42-Y46 WeakPolarHBondContact O-CB 3.4Å; L42-Y46 WeakPolarHBondContact O-CD2 3.22Å; L42-Y46 PolarHBondContact O-N 2.92Å; L44-Y46 PolarHBondContact O-N 3.36Å; Y46-L48 VanDerWaalsContact C-N 3.27Å; Y46-L48 PolarHBondContact O-N 3.31Å; Y46-T314 HydrophobicContact CD2-CG2 3.57Å; Y46-T314 HydrophobicContact CE2-CG2 3.81Å; Y46-I325 HydrophobicContact CD1-CB 3.84Å; Y46-I325 HydrophobicContact CD1-CD1 4.3Å; Y46-I325 HydrophobicContact CD1-CG2 4.03Å; Y46-I325 HydrophobicContact CD2-CD1 4.36Å; Y46-I325 HydrophobicContact CE1-CB 3.88Å; Y46-I325 HydrophobicContact CE1-CD1 4.21Å; Y46-I325 HydrophobicContact CE1-CG1 4.44Å; Y46-I325 HydrophobicContact CE2-CD1 4.26Å; Y46-I325 HydrophobicContact CG-CD1 4.37Å; Y46-I325 HydrophobicContact CG-CG2 4.48Å; Y46-P326 HydrophobicContact CE1-CG 3.99Å; Y46-P326 WeakPolarHBondContact CE1-O 3.38Å; Y46-P326 PolarHBondContact OH-O 3.2Å; Y46-E328 PolarHBondContact OH-O 2.93Å; Y46-E328 VanDerWaalsContact OH-O 3.05Å; Y46-L329 HydrophobicContact CE2-CD2 3.98Å; Y46-P330 HydrophobicContact CD1-CG 4.21Å; Y46-P330 HydrophobicContact CD2-CG 3.93Å; Y46-P330 HydrophobicContact CE1-CG 4.4Å; Y46-P330 VanDerWaalsContact CE2-CD 3.48Å; Y46-P330 HydrophobicContact CE2-CG 4.13Å; Y46-P330 HydrophobicContact CG-CG 3.98Å; Y46-P330 VanDerWaalsContact CZ-CD 3.42Å; Y46-L344 HydrophobicContact CE2-CD1 4.2Å
47G98.2Very high98.3Very high6 Ų652.3 Ų52.36%0.06223%0.225CC..THydrogen-bonded Turntrans69.920.8-178.800000114.1L43 L44 N45 Y49 R50L43-G47 PolarHBondContact O-N 2.73Å; L44-G47 WeakPolarHBondContact O-CA 3.41Å; L44-G47 PolarHBondContact O-N 3.31Å; N45-G47 PolarHBondContact O-N 2.8Å; G47-Y49 VanDerWaalsContact C-N 3.32Å; G47-R50 PolarHBondContact O-NE 2.88Å
48L98.1Very high98.2Very high1 Ų151 Ų511%0.00522%0.223CC..G310 helixtrans-72.2-27.6179-70.1172000112.1L43 Y46 R50 K51 A318 L321 I325L43-L48 HydrophobicContact CD2-CB 4.39Å; L43-L48 HydrophobicContact CD2-CD1 3.67Å; L43-L48 PolarHBondContact O-N 3.3Å; Y46-L48 VanDerWaalsContact C-N 3.27Å; Y46-L48 PolarHBondContact O-N 3.31Å; L48-R50 PolarHBondContact O-N 3.16Å; L48-R50 VanDerWaalsContact O-N 3.13Å; L48-K51 WeakPolarHBondContact O-CB 3.4Å; L48-K51 PolarHBondContact O-N 3.35Å; L48-A318 HydrophobicContact CD1-CB 3.97Å; L48-A318 HydrophobicContact CD2-CB 4.21Å; L48-L321 HydrophobicContact CB-CD1 4.13Å; L48-L321 HydrophobicContact CD2-CD1 4.06Å; L48-I325 HydrophobicContact CD1-CD1 4.48Å; L48-I325 HydrophobicContact CD1-CG2 4.33Å; L48-I325 HydrophobicContact CD2-CG2 3.88Å; L48-I325 HydrophobicContact CG-CG2 4.3Å
49Y97.1Very high98.2Very high98 Ų9855 Ų5538%0.38424%0.24SC..G310 helixtrans-51.7-34.317576-87.8000113.5L44 G47 K51 M52L44-Y49 HydrophobicContact CD2-CD1 4.01Å; L44-Y49 HydrophobicContact CD2-CG 3.94Å; L44-Y49 WeakPolarHBondContact O-CD1 3.05Å; L44-Y49 WeakPolarHBondContact O-CE1 3.39Å; G47-Y49 VanDerWaalsContact C-N 3.32Å; Y49-K51 PolarHBondContact O-N 2.95Å; Y49-M52 PolarHBondContact O-N 3.21Å
50R97.3Very high98.1Very high180 Ų18055 Ų5568%0.67924%0.24SC*.G310 helixtrans-69.1-0.2178.4-60.7179.6-70.2-162.7-3.2114.5G47 L48G47-R50 PolarHBondContact O-NE 2.88Å; L48-R50 PolarHBondContact O-N 3.16Å; L48-R50 VanDerWaalsContact O-N 3.13Å
51K97.7Very high98.1Very high113 Ų11355.7 Ų55.749%0.49125%0.248SC..G310 helixtrans-1220.5-175.6-55.6178.2180173.40113.3L48 Y49 L321 S323L48-K51 WeakPolarHBondContact O-CB 3.4Å; L48-K51 PolarHBondContact O-N 3.35Å; Y49-K51 PolarHBondContact O-N 2.95Å; K51-L321 HydrophobicContact CB-CD1 4.19Å; K51-L321 HydrophobicContact CB-CD2 3.91Å; K51-L321 WeakPolarHBondContact O-CD2 3.18Å; K51-S323 WeakPolarHBondContact CD-OG 3.34Å; K51-S323 PolarHBondContact NZ-OG 2.95Å
52M98.1Very high98Very high18 Ų1855.9 Ų55.99%0.08925%0.254CS..SBendtrans-137.6152.9-179.458.2-169.2-169.900110.5V12 Y14 L43 Y49 I54 T317 L321V12-M52 HydrophobicContact CB-CB 4.13Å; V12-M52 HydrophobicContact CG1-CB 4.21Å; V12-M52 WeakPolarHBondContact O-CA 3.3Å; V12-M52 WeakPolarHBondContact O-CB 3.21Å; Y14-M52 HydrophobicContact CD1-CE 3.59Å; Y14-M52 HydrophobicContact CD1-SD 4.44Å; Y14-M52 HydrophobicContact CD2-CE 4.41Å; Y14-M52 HydrophobicContact CE1-CE 4.21Å; Y14-M52 HydrophobicContact CG-CE 3.69Å; Y14-M52 HydrophobicContact CG-SD 4.01Å; L43-M52 HydrophobicContact CD1-CE 4.3Å; Y49-M52 PolarHBondContact O-N 3.21Å; M52-I54 HydrophobicContact CE-CD1 3.91Å; M52-I54 HydrophobicContact CE-CG1 4.15Å; M52-I54 HydrophobicContact CG-CG1 4.21Å; M52-T317 HydrophobicContact CE-CG2 4.43Å; M52-T317 HydrophobicContact SD-CG2 3.82Å; M52-L321 HydrophobicContact CB-CD2 4.19Å; M52-L321 HydrophobicContact SD-CD1 4.26Å
53E98.4Very high97.8Very high71 Ų7163.4 Ų63.433%0.33229%0.289SS..EExtended strand (participates in β ladder)trans-80.5119.5170.6-67.5177.5171.400109K11 V12 C13 Y14 Y55K11-E53 WeakPolarHBondContact CE-OE1 3.45Å; K11-E53 WeakPolarHBondContact CE-OE2 3.48Å; K11-E53 IonicContact NZ-OE1 2.81Å; K11-E53 PolarHBondContact NZ-OE1 3.02Å; K11-E53 IonicContact NZ-OE2 3.83Å; K11-E53 PolarHBondContact NZ-OE2 2.82Å; V12-E53 PolarHBondContact O-N 2.84Å; C13-E53 CarbonylContact C-O 3.57Å; C13-E53 WeakPolarHBondContact CA-O 3.23Å; C13-E53 PolarHBondContact SG-OE2 3.46Å; Y14-E53 PolarHBondContact N-O 2.84Å; E53-Y55 HydrophobicContact CB-CD2 4.25Å; E53-Y55 HydrophobicContact CB-CE2 3.53Å; E53-Y55 PolarHBondContact OE2-OH 3.31Å; E53-Y55 VanDerWaalsContact OE2-OH 3.05Å
54I98.6Very high97.7Very high68 Ų6864.2 Ų64.235%0.34929%0.293SS..EExtended strand (participates in β ladder)trans-94.7128.1177.6-58.7-168.3000109.5Y14 M52Y14-I54 HydrophobicContact CD1-CD1 4.16Å; Y14-I54 HydrophobicContact CD1-CG1 4Å; Y14-I54 HydrophobicContact CD1-CG2 4.11Å; Y14-I54 WeakPolarHBondContact O-CA 3.32Å; M52-I54 HydrophobicContact CE-CD1 3.91Å; M52-I54 HydrophobicContact CE-CG1 4.15Å; M52-I54 HydrophobicContact CG-CG1 4.21Å
55Y98.6Very high97.7Very high74 Ų7461.4 Ų61.429%0.2928%0.279SS..EExtended strand (participates in β ladder)trans-122.1137.8178.7-69.2-81.2000111.1C13 Y14 Y15 Y16 E53 K124C13-Y55 HydrophobicContact CB-CD2 4.09Å; C13-Y55 HydrophobicContact CB-CE2 4.03Å; Y14-Y55 PolarHBondContact O-N 2.84Å; Y15-Y55 WeakPolarHBondContact CA-O 3.45Å; Y15-Y55 HydrophobicContact CE1-CG 4.24Å; Y16-Y55 PolarHBondContact N-O 2.82Å; E53-Y55 HydrophobicContact CB-CD2 4.25Å; E53-Y55 HydrophobicContact CB-CE2 3.53Å; E53-Y55 PolarHBondContact OE2-OH 3.31Å; E53-Y55 VanDerWaalsContact OE2-OH 3.05Å; Y55-K124 PolarHBondContact OH-NZ 2.87Å
56R98.4Very high97.7Very high167 Ų16760 Ų6063%0.6327%0.273SS*.PPolyproline II helixtrans-79.6122.2163.2-170176-176.5159.710.7108.3Y16 D17 D19Y16-R56 WeakPolarHBondContact O-CA 3.44Å; D17-R56 HydrophobicContact CB-CG 4.47Å; D17-R56 VanDerWaalsContact CG-NH2 3.27Å; D17-R56 IonicContact OD1-CZ 3.98Å; D17-R56 IonicContact OD1-NE 2.72Å; D17-R56 IonicContact OD1-NH2 3.63Å; D17-R56 PolarHBondContact OD1-NH2 2.85Å; D17-R56 IonicContact OD2-CZ 3.58Å; D17-R56 VanDerWaalsContact OD2-CZ 3.24Å; D17-R56 IonicContact OD2-NE 2.72Å; D17-R56 PolarHBondContact OD2-NE 3.16Å; D17-R56 IonicContact OD2-NH2 3.89Å; D17-R56 PolarHBondContact OD2-NH2 2.82Å; D19-R56 IonicContact OD2-NH2 3.16Å; D19-R56 PolarHBondContact OD2-NH2 2.67Å; D19-R56 VanDerWaalsContact OD2-NH2 3.12Å
57P97.3Very high97.7Very high10 Ų1063.4 Ų63.47%0.06529%0.288CS..PPolyproline II helixtrans-67.2149.4177.729.5-35.2000110.8Y15 Y16 D17 L113Y15-P57 HydrophobicContact CD1-CB 4.32Å; Y16-P57 VanDerWaalsContact C-CD 3.49Å; Y16-P57 WeakPolarHBondContact O-CD 3.44Å; D17-P57 HydrophobicContact CB-CG 4.08Å; P57-L113 HydrophobicContact CG-CD2 4.44Å
58H96.3Very high97.7Very high62 Ų6264.1 Ų64.129%0.28729%0.289SS..PPolyproline II helixtrans-71.6154.2165.367.8-63.5000109.7A60 E64 G116 V390H58-A60 PolarHBondContact O-N 3.49Å; H58-A60 VanDerWaalsContact O-N 3.17Å; H58-E64 IonicContact CD2-OE1 2.65Å; H58-E64 IonicContact CD2-OE2 3.51Å; H58-E64 IonicContact CE1-OE1 3.56Å; H58-E64 IonicContact NE2-OE1 2.68Å; H58-E64 PolarHBondContact NE2-OE1 3.02Å; H58-E64 IonicContact NE2-OE2 2.83Å; H58-G116 WeakPolarHBondContact O-CA 3.41Å; H58-V390 WeakPolarHBondContact CE1-CG2 3.37Å
59K98.4Very high97.8Very high82 Ų8264.2 Ų64.236%0.35729%0.289SS..  trans-72.3106.9168.1-77.9-177.4172.9176.90108S61 E109 Q112 L113K59-S61 PolarHBondContact O-N 2.93Å; K59-E109 IonicContact NZ-OE1 2.61Å; K59-E109 PolarHBondContact NZ-OE1 3.42Å; K59-E109 IonicContact NZ-OE2 2.8Å; K59-E109 PolarHBondContact NZ-OE2 2.82Å; K59-E109 VanDerWaalsContact NZ-OE2 3.17Å; K59-Q112 HydrophobicContact CB-CB 3.87Å; K59-Q112 HydrophobicContact CG-CB 4.17Å; K59-L113 HydrophobicContact CG-CD2 3.83Å; K59-L113 HydrophobicContact CG-CG 4.42Å
60A97.9Very high97.8Very high0 Ų060.4 Ų60.40%028%0.277CS..  trans-52.6134.6179.900000111.5H58 M65 Q112 A115H58-A60 PolarHBondContact O-N 3.49Å; H58-A60 VanDerWaalsContact O-N 3.17Å; A60-M65 HydrophobicContact CB-CE 4.16Å; A60-Q112 WeakPolarHBondContact CB-O 3.39Å; A60-Q112 PolarHBondContact N-O 3.46Å; A60-Q112 VanDerWaalsContact O-CG 3.28Å; A60-Q112 WeakPolarHBondContact O-CG 3.41Å; A60-Q112 PolarHBondContact O-NE2 3.4Å; A60-A115 HydrophobicContact CB-CB 3.92Å
61S97.9Very high97.9Very high41 Ų4156.5 Ų56.529%0.28727%0.27SS..  trans-73.4161.4-179.864.70000112.1K59 E63 E64 M65K59-S61 PolarHBondContact O-N 2.93Å; S61-E63 PolarHBondContact O-N 2.83Å; S61-E64 VanDerWaalsContact CB-OE2 3.3Å; S61-E64 WeakPolarHBondContact CB-OE2 3.48Å; S61-E64 PolarHBondContact N-OE2 3.34Å; S61-E64 PolarHBondContact O-N 2.92Å; S61-E64 WeakPolarHBondContact OG-CG 3.27Å; S61-E64 PolarHBondContact OG-N 2.7Å; S61-E64 VanDerWaalsContact OG-N 3.08Å; S61-E64 PolarHBondContact OG-OE2 2.67Å; S61-M65 WeakPolarHBondContact O-CG 3.11Å; S61-M65 PolarHBondContact O-N 2.91Å
62G96.9Very high97.9Very high21 Ų2153.2 Ų53.222%0.21626%0.257CS..Hα-helixtrans-60.5-31.9170.300000112.4M65 T66G62-M65 PolarHBondContact O-N 3.39Å; G62-T66 WeakPolarHBondContact O-CG2 3.21Å; G62-T66 PolarHBondContact O-N 2.67Å; G62-T66 PolarHBondContact O-OG1 3.36Å; G62-T66 VanDerWaalsContact O-OG1 3.1Å
63E95.5Very high98Very high159 Ų15952.3 Ų52.374%0.74325%0.253SS*.Hα-helixtrans-68.6-39.8178.7-62.4176.9-172.100112.1S61 T66S61-E63 PolarHBondContact O-N 2.83Å; E63-T66 PolarHBondContact O-OG1 2.77Å
64E96Very high98Very high17 Ų1749.2 Ų49.28%0.07924%0.239CC..Hα-helixtrans-63-45.1171.1-74.3161.395.600111.2H58 S61 T66 K67 L159 A389H58-E64 IonicContact CD2-OE1 2.65Å; H58-E64 IonicContact CD2-OE2 3.51Å; H58-E64 IonicContact CE1-OE1 3.56Å; H58-E64 IonicContact NE2-OE1 2.68Å; H58-E64 PolarHBondContact NE2-OE1 3.02Å; H58-E64 IonicContact NE2-OE2 2.83Å; S61-E64 VanDerWaalsContact CB-OE2 3.3Å; S61-E64 WeakPolarHBondContact CB-OE2 3.48Å; S61-E64 PolarHBondContact N-OE2 3.34Å; S61-E64 PolarHBondContact O-N 2.92Å; S61-E64 WeakPolarHBondContact OG-CG 3.27Å; S61-E64 PolarHBondContact OG-N 2.7Å; S61-E64 VanDerWaalsContact OG-N 3.08Å; S61-E64 PolarHBondContact OG-OE2 2.67Å; E64-T66 PolarHBondContact O-N 3.41Å; E64-K67 VanDerWaalsContact O-CB 3.32Å; E64-K67 WeakPolarHBondContact O-CB 3.28Å; E64-K67 WeakPolarHBondContact O-CG 3.35Å; E64-K67 PolarHBondContact O-N 3.14Å; E64-L159 WeakPolarHBondContact O-CD2 3.34Å; E64-A389 HydrophobicContact CG-CB 4.4Å
65M98.6Very high98Very high0 Ų052.6 Ų52.60%025%0.247CC..Hα-helixtrans-65-36.5-180-65.5178.7179.500113A60 S61 G62 K67 Y68 H69 I74 F108 C111 Q112 A115 V154 L159A60-M65 HydrophobicContact CB-CE 4.16Å; S61-M65 WeakPolarHBondContact O-CG 3.11Å; S61-M65 PolarHBondContact O-N 2.91Å; G62-M65 PolarHBondContact O-N 3.39Å; M65-K67 PolarHBondContact O-N 3.32Å; M65-Y68 PolarHBondContact O-N 2.87Å; M65-H69 PolarHBondContact O-CD2 3.08Å; M65-H69 PolarHBondContact O-N 3.32Å; M65-I74 HydrophobicContact CB-CD1 3.77Å; M65-I74 HydrophobicContact CB-CG1 3.95Å; M65-I74 HydrophobicContact CB-CG2 4.2Å; M65-I74 HydrophobicContact SD-CD1 4.18Å; M65-I74 HydrophobicContact SD-CG2 4.31Å; M65-F108 HydrophobicContact CE-CE2 4.46Å; M65-F108 HydrophobicContact CE-CZ 4.46Å; M65-F108 HydrophobicContact SD-CE2 3.91Å; M65-F108 HydrophobicContact SD-CZ 4.08Å; M65-C111 HydrophobicContact CE-CB 4.27Å; M65-Q112 HydrophobicContact CE-CB 4.2Å; M65-Q112 HydrophobicContact CE-CG 3.73Å; M65-A115 HydrophobicContact CE-CB 4.32Å; M65-V154 HydrophobicContact CE-CG1 4.49Å; M65-V154 HydrophobicContact CE-CG2 4.39Å; M65-V154 HydrophobicContact CG-CG1 4.13Å; M65-V154 HydrophobicContact SD-CG1 4.38Å; M65-V154 HydrophobicContact SD-CG2 3.97Å; M65-L159 HydrophobicContact CG-CD1 4.4Å
66T98.6Very high98Very high43 Ų4349.1 Ų49.126%0.26423%0.234SC..THydrogen-bonded Turntrans-75.4-2.2178.753.70000114.4G62 E63 E64 Y68 H69 D71 I74G62-T66 WeakPolarHBondContact O-CG2 3.21Å; G62-T66 PolarHBondContact O-N 2.67Å; G62-T66 PolarHBondContact O-OG1 3.36Å; G62-T66 VanDerWaalsContact O-OG1 3.1Å; E63-T66 PolarHBondContact O-OG1 2.77Å; E64-T66 PolarHBondContact O-N 3.41Å; T66-Y68 PolarHBondContact O-N 2.97Å; T66-H69 WeakPolarHBondContact CA-O 3.38Å; T66-D71 HydrophobicContact CG2-CB 4.47Å; T66-I74 HydrophobicContact CG2-CB 3.98Å; T66-I74 HydrophobicContact CG2-CG1 3.9Å; T66-I74 HydrophobicContact CG2-CG2 4.35Å
67K98.4Very high98Very high101 Ų10141.2 Ų41.244%0.43920%0.204SC..THydrogen-bonded Turntrans-59.2-25.8165.8-69.1175.8175.1172.20112.5E64 M65 L159 E163 A389E64-K67 VanDerWaalsContact O-CB 3.32Å; E64-K67 WeakPolarHBondContact O-CB 3.28Å; E64-K67 WeakPolarHBondContact O-CG 3.35Å; E64-K67 PolarHBondContact O-N 3.14Å; M65-K67 PolarHBondContact O-N 3.32Å; K67-L159 HydrophobicContact CB-CD2 4.25Å; K67-E163 IonicContact NZ-OE2 2.69Å; K67-A389 VanDerWaalsContact NZ-CB 3.31Å
68Y98.7Very high98Very high21 Ų2148.1 Ų48.18%0.08223%0.228CC..THydrogen-bonded Turntrans-118.6-54.7171.1172.2-121.5000112.5M65 T66 K145 N155 V158 A187M65-Y68 PolarHBondContact O-N 2.87Å; T66-Y68 PolarHBondContact O-N 2.97Å; Y68-K145 HydrophobicContact CE1-CB 4.34Å; Y68-K145 HydrophobicContact CE2-CB 4.07Å; Y68-K145 HydrophobicContact CE2-CD 4.47Å; Y68-K145 WeakPolarHBondContact O-CE 3.37Å; Y68-K145 WeakPolarHBondContact O-CG 3.27Å; Y68-K145 PolarHBondContact OH-N 3.16Å; Y68-N155 HydrophobicContact CD1-CB 4.39Å; Y68-N155 HydrophobicContact CE1-CB 4.16Å; Y68-V158 HydrophobicContact CD1-CB 4.17Å; Y68-V158 HydrophobicContact CD1-CG1 3.8Å; Y68-V158 HydrophobicContact CD2-CG1 3.57Å; Y68-V158 HydrophobicContact CE1-CB 4.41Å; Y68-V158 HydrophobicContact CE1-CG1 4.2Å; Y68-V158 HydrophobicContact CE1-CG2 4.49Å; Y68-V158 HydrophobicContact CE2-CG1 3.98Å; Y68-V158 HydrophobicContact CG-CB 4.32Å; Y68-V158 HydrophobicContact CG-CG1 3.47Å; Y68-V158 VanDerWaalsContact CG-CG1 3.47Å; Y68-A187 HydrophobicContact CD2-CB 4.46Å; Y68-A187 HydrophobicContact CE2-CB 3.62Å
69H98.8Very high98.1Very high2 Ų246.9 Ų46.91%0.00923%0.227CC..SBendtrans-73.8156-171.1-66.7-79000112.6M65 T66 Y73 I74 K144 K145 N155M65-H69 PolarHBondContact O-CD2 3.08Å; M65-H69 PolarHBondContact O-N 3.32Å; T66-H69 WeakPolarHBondContact CA-O 3.38Å; H69-Y73 HydrophobicContact CB-CD1 4.24Å; H69-Y73 AromaticContact ND1-CD1 3.91Å; H69-Y73 AromaticContact ND1-CE1 3.84Å; H69-I74 HydrophobicContact CB-CD1 3.62Å; H69-I74 HydrophobicContact CB-CG1 3.61Å; H69-K144 PolarHBondContact CE1-O 3.24Å; H69-K144 PolarHBondContact ND1-O 2.93Å; H69-K145 CarbonylContact C-O 3.51Å; H69-K145 WeakPolarHBondContact CA-O 3.47Å; H69-K145 PolarHBondContact ND1-O 3.38Å; H69-N155 PolarHBondContact CE1-N 3.28Å; H69-N155 PolarHBondContact NE2-N 3.35Å
70S98.6Very high98.1Very high19 Ų1943.4 Ų43.413%0.13321%0.212CC..  trans-72.1143.9176.166.30000112.6D72 Y73 I74 K145 S146S70-D72 WeakPolarHBondContact CB-OD1 3.37Å; S70-D72 PolarHBondContact O-N 3Å; S70-D72 PolarHBondContact OG-OD1 2.87Å; S70-Y73 PolarHBondContact O-N 3.07Å; S70-Y73 VanDerWaalsContact O-N 3.09Å; S70-Y73 WeakPolarHBondContact OG-CB 3.34Å; S70-I74 PolarHBondContact O-N 3.2Å; S70-I74 VanDerWaalsContact O-N 3.08Å; S70-K145 PolarHBondContact N-O 3.33Å; S70-S146 VanDerWaalsContact CB-OG 3.28Å; S70-S146 WeakPolarHBondContact CB-OG 3.38Å; S70-S146 PolarHBondContact OG-OG 2.83Å
71D98.4Very high98Very high97 Ų9749.1 Ų49.152%0.51923%0.234SC..Hα-helixtrans-57.6-33.8-178.3-56.5-95.5000113.5T66 R75T66-D71 HydrophobicContact CG2-CB 4.47Å; D71-R75 VanDerWaalsContact O-CB 3.26Å; D71-R75 WeakPolarHBondContact O-CB 3.34Å; D71-R75 WeakPolarHBondContact O-CG 3.42Å; D71-R75 PolarHBondContact O-N 2.91Å; D71-R75 PolarHBondContact O-NE 3.21Å
72D98.3Very high98Very high44 Ų4449.6 Ų49.624%0.23524%0.236CC..Hα-helixtrans-73.7-35.2179.165.6-25.3000112.3S70 F76 R94 F95S70-D72 WeakPolarHBondContact CB-OD1 3.37Å; S70-D72 PolarHBondContact O-N 3Å; S70-D72 PolarHBondContact OG-OD1 2.87Å; D72-F76 WeakPolarHBondContact O-CB 3.19Å; D72-F76 PolarHBondContact O-N 3.22Å; D72-R94 IonicContact OD2-CZ 2.67Å; D72-R94 IonicContact OD2-NH1 3.89Å; D72-R94 PolarHBondContact OD2-NH1 3.39Å; D72-R94 IonicContact OD2-NH2 3.62Å; D72-R94 PolarHBondContact OD2-NH2 3.17Å; D72-F95 HydrophobicContact CB-CZ 4.44Å
73Y98.8Very high98Very high0 Ų053.9 Ų53.90%025%0.254CS..Hα-helixtrans-68.4-47.2174.5178.7-120.7000111.8H69 S70 R75 F76 L77 F95 A148 Y153H69-Y73 HydrophobicContact CB-CD1 4.24Å; H69-Y73 AromaticContact ND1-CD1 3.91Å; H69-Y73 AromaticContact ND1-CE1 3.84Å; S70-Y73 PolarHBondContact O-N 3.07Å; S70-Y73 VanDerWaalsContact O-N 3.09Å; S70-Y73 WeakPolarHBondContact OG-CB 3.34Å; Y73-R75 PolarHBondContact O-N 3.18Å; Y73-F76 HydrophobicContact CD2-CD1 4.3Å; Y73-F76 HydrophobicContact CE2-CD1 4.45Å; Y73-F76 WeakPolarHBondContact O-CB 3.2Å; Y73-F76 PolarHBondContact O-N 2.64Å; Y73-F76 VanDerWaalsContact O-N 3.13Å; Y73-L77 HydrophobicContact CD1-CD1 4.37Å; Y73-L77 HydrophobicContact CD2-CG 4.41Å; Y73-L77 HydrophobicContact CE1-CD1 3.76Å; Y73-L77 HydrophobicContact CE1-CG 4.37Å; Y73-L77 HydrophobicContact CE2-CD1 4.22Å; Y73-L77 HydrophobicContact CE2-CD2 3.98Å; Y73-L77 HydrophobicContact CE2-CG 4.01Å; Y73-L77 PolarHBondContact O-N 3.44Å; Y73-F95 HydrophobicContact CD2-CB 3.83Å; Y73-F95 AromaticContact CD2-CD1 3.76Å; Y73-F95 HydrophobicContact CD2-CD1 3.76Å; Y73-F95 HydrophobicContact CD2-CD2 4.37Å; Y73-F95 HydrophobicContact CD2-CE1 4.29Å; Y73-F95 AromaticContact CD2-CG 3.76Å; Y73-F95 HydrophobicContact CD2-CG 3.76Å; Y73-F95 HydrophobicContact CE2-CB 3.88Å; Y73-F95 HydrophobicContact CE2-CG 4.34Å; Y73-A148 WeakPolarHBondContact OH-CA 3.35Å; Y73-A148 WeakPolarHBondContact OH-CB 3.29Å; Y73-A148 PolarHBondContact OH-N 3.21Å; Y73-A148 VanDerWaalsContact OH-N 3.14Å; Y73-Y153 VanDerWaalsContact CE1-O 3.29Å; Y73-Y153 WeakPolarHBondContact CE1-O 3.46Å; Y73-Y153 PolarHBondContact OH-O 2.95Å
74I98.7Very high98Very high5 Ų546.8 Ų46.83%0.02622%0.221CC..Hα-helixtrans-65.9-37.5176.7-61.6-53.6000111.7M65 T66 H69 S70 F76 L77 R78 F108 V154M65-I74 HydrophobicContact CB-CD1 3.77Å; M65-I74 HydrophobicContact CB-CG1 3.95Å; M65-I74 HydrophobicContact CB-CG2 4.2Å; M65-I74 HydrophobicContact SD-CD1 4.18Å; M65-I74 HydrophobicContact SD-CG2 4.31Å; T66-I74 HydrophobicContact CG2-CB 3.98Å; T66-I74 HydrophobicContact CG2-CG1 3.9Å; T66-I74 HydrophobicContact CG2-CG2 4.35Å; H69-I74 HydrophobicContact CB-CD1 3.62Å; H69-I74 HydrophobicContact CB-CG1 3.61Å; S70-I74 PolarHBondContact O-N 3.2Å; S70-I74 VanDerWaalsContact O-N 3.08Å; I74-F76 VanDerWaalsContact C-N 3.33Å; I74-F76 PolarHBondContact O-N 2.81Å; I74-L77 HydrophobicContact CD1-CD1 4.3Å; I74-L77 PolarHBondContact O-N 3.38Å; I74-R78 WeakPolarHBondContact O-CB 3.24Å; I74-R78 PolarHBondContact O-N 2.78Å; I74-F108 HydrophobicContact CG2-CE2 4.35Å; I74-V154 HydrophobicContact CD1-CG2 4.2Å
75R98.4Very high98Very high139 Ų13949 Ų4953%0.52523%0.232SC..Hα-helixtrans-63.4-37.9171.3-80.2176.7-71.3153.7-4.2112.3D71 Y73 S79D71-R75 VanDerWaalsContact O-CB 3.26Å; D71-R75 WeakPolarHBondContact O-CB 3.34Å; D71-R75 WeakPolarHBondContact O-CG 3.42Å; D71-R75 PolarHBondContact O-N 2.91Å; D71-R75 PolarHBondContact O-NE 3.21Å; Y73-R75 PolarHBondContact O-N 3.18Å; R75-S79 WeakPolarHBondContact O-CB 3.43Å; R75-S79 PolarHBondContact O-N 2.82Å; R75-S79 PolarHBondContact O-OG 3.46Å
76F98.6Very high97.9Very high2 Ų253.6 Ų53.61%0.00926%0.264CS..Hα-helixtrans-63-53.4173.6162.4-101.5000111.4D72 Y73 I74 R78 S79 I80 Y88 Q91 M92 F95 V97D72-F76 WeakPolarHBondContact O-CB 3.19Å; D72-F76 PolarHBondContact O-N 3.22Å; Y73-F76 HydrophobicContact CD2-CD1 4.3Å; Y73-F76 HydrophobicContact CE2-CD1 4.45Å; Y73-F76 WeakPolarHBondContact O-CB 3.2Å; Y73-F76 PolarHBondContact O-N 2.64Å; Y73-F76 VanDerWaalsContact O-N 3.13Å; I74-F76 VanDerWaalsContact C-N 3.33Å; I74-F76 PolarHBondContact O-N 2.81Å; F76-R78 PolarHBondContact O-N 2.87Å; F76-S79 PolarHBondContact O-N 3.45Å; F76-I80 HydrophobicContact CD2-CB 4.27Å; F76-I80 HydrophobicContact CE1-CG2 4.32Å; F76-I80 HydrophobicContact CE2-CB 3.85Å; F76-I80 HydrophobicContact CE2-CD1 4Å; F76-I80 HydrophobicContact CE2-CG1 3.94Å; F76-I80 HydrophobicContact CE2-CG2 4.42Å; F76-I80 HydrophobicContact CZ-CB 4.04Å; F76-I80 HydrophobicContact CZ-CD1 4.35Å; F76-I80 HydrophobicContact CZ-CG1 3.94Å; F76-I80 HydrophobicContact CZ-CG2 4.2Å; F76-I80 WeakPolarHBondContact O-CG2 3.19Å; F76-I80 PolarHBondContact O-N 3.44Å; F76-Y88 AromaticContact CD2-CD1 3.79Å; F76-Y88 HydrophobicContact CD2-CD1 3.79Å; F76-Y88 HydrophobicContact CD2-CE1 4.35Å; F76-Y88 AromaticContact CE2-CD1 3.99Å; F76-Y88 HydrophobicContact CE2-CD1 3.99Å; F76-Y88 HydrophobicContact CE2-CG 4.42Å; F76-Q91 HydrophobicContact CD2-CB 3.72Å; F76-Q91 HydrophobicContact CE2-CB 3.8Å; F76-M92 HydrophobicContact CE2-CG 4.21Å; F76-M92 HydrophobicContact CZ-CG 3.99Å; F76-F95 HydrophobicContact CB-CD2 3.76Å; F76-F95 HydrophobicContact CB-CE2 3.49Å; F76-F95 VanDerWaalsContact CB-CE2 3.49Å; F76-F95 HydrophobicContact CB-CZ 4.41Å; F76-F95 HydrophobicContact CD1-CB 4.06Å; F76-F95 AromaticContact CD1-CD2 3.36Å; F76-F95 HydrophobicContact CD1-CD2 3.36Å; F76-F95 HydrophobicContact CD1-CE2 4.05Å; F76-F95 HydrophobicContact CD1-CG 4.02Å; F76-F95 AromaticContact CD2-CD2 3.87Å; F76-F95 HydrophobicContact CD2-CD2 3.87Å; F76-F95 HydrophobicContact CD2-CE2 4.16Å; F76-F95 HydrophobicContact CE1-CB 3.92Å; F76-F95 AromaticContact CE1-CD2 3.85Å; F76-F95 HydrophobicContact CE1-CD2 3.85Å; F76-F95 HydrophobicContact CE1-CG 4.33Å; F76-F95 HydrophobicContact CE2-CD2 4.31Å; F76-F95 AromaticContact CG-CD2 3.37Å; F76-F95 HydrophobicContact CG-CD2 3.37Å; F76-F95 AromaticContact CG-CE2 3.64Å; F76-F95 HydrophobicContact CG-CE2 3.64Å; F76-F95 HydrophobicContact CG-CG 4.43Å; F76-F95 HydrophobicContact CZ-CD2 4.3Å; F76-V97 HydrophobicContact CE1-CB 4.01Å; F76-V97 HydrophobicContact CE1-CG1 4.33Å; F76-V97 HydrophobicContact CE1-CG2 3.96Å; F76-V97 HydrophobicContact CZ-CB 4.1Å; F76-V97 HydrophobicContact CZ-CG1 4.22Å
77L98.5Very high97.8Very high1 Ų159 Ų591%0.00529%0.286CS..Hα-helixtrans-56.6-36178.5-67.1-175.3000112.7Y73 I74 S79 V97 L107 F108 Y153 V154Y73-L77 HydrophobicContact CD1-CD1 4.37Å; Y73-L77 HydrophobicContact CD2-CG 4.41Å; Y73-L77 HydrophobicContact CE1-CD1 3.76Å; Y73-L77 HydrophobicContact CE1-CG 4.37Å; Y73-L77 HydrophobicContact CE2-CD1 4.22Å; Y73-L77 HydrophobicContact CE2-CD2 3.98Å; Y73-L77 HydrophobicContact CE2-CG 4.01Å; Y73-L77 PolarHBondContact O-N 3.44Å; I74-L77 HydrophobicContact CD1-CD1 4.3Å; I74-L77 PolarHBondContact O-N 3.38Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 PolarHBondContact O-N 2.97Å; L77-V97 HydrophobicContact CD2-CG2 4.42Å; L77-L107 HydrophobicContact CD2-CD2 4.12Å; L77-F108 HydrophobicContact CB-CD2 3.93Å; L77-F108 HydrophobicContact CB-CE2 4.36Å; L77-Y153 HydrophobicContact CD2-CD1 4.32Å; L77-V154 HydrophobicContact CD1-CG2 3.86Å
78R98.1Very high97.7Very high154 Ų15456.6 Ų56.658%0.58128%0.275SS*.Hα-helixtrans-71.9-18.7175.8-16717770.7-177.61.8114I74 F76 F108I74-R78 WeakPolarHBondContact O-CB 3.24Å; I74-R78 PolarHBondContact O-N 2.78Å; F76-R78 PolarHBondContact O-N 2.87Å; R78-F108 HydrophobicContact CB-CD1 4.3Å; R78-F108 HydrophobicContact CB-CD2 4.03Å; R78-F108 HydrophobicContact CB-CE1 4.15Å; R78-F108 HydrophobicContact CB-CE2 3.89Å; R78-F108 HydrophobicContact CB-CG 4.24Å; R78-F108 HydrophobicContact CB-CZ 3.95Å; R78-F108 HydrophobicContact CG-CD1 4Å; R78-F108 HydrophobicContact CG-CE1 3.78Å; R78-F108 HydrophobicContact CG-CE2 4.42Å; R78-F108 HydrophobicContact CG-CG 4.41Å; R78-F108 HydrophobicContact CG-CZ 4.02Å
79S97.9Very high97.6Very high37 Ų3758.8 Ų58.826%0.25929%0.293SS..Hα-helixtrans-108.8-30.4-172.9-50.90000113.5R75 F76 L77 N84R75-S79 WeakPolarHBondContact O-CB 3.43Å; R75-S79 PolarHBondContact O-N 2.82Å; R75-S79 PolarHBondContact O-OG 3.46Å; F76-S79 PolarHBondContact O-N 3.45Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 PolarHBondContact O-N 2.97Å; S79-N84 PolarHBondContact O-ND2 3.13Å
80I98Very high97.5Very high9 Ų967.2 Ų67.25%0.04633%0.33CS..  trans-68135.5179.8-170.361.6000111.1F76 Y88 M92 V103F76-I80 HydrophobicContact CD2-CB 4.27Å; F76-I80 HydrophobicContact CE1-CG2 4.32Å; F76-I80 HydrophobicContact CE2-CB 3.85Å; F76-I80 HydrophobicContact CE2-CD1 4Å; F76-I80 HydrophobicContact CE2-CG1 3.94Å; F76-I80 HydrophobicContact CE2-CG2 4.42Å; F76-I80 HydrophobicContact CZ-CB 4.04Å; F76-I80 HydrophobicContact CZ-CD1 4.35Å; F76-I80 HydrophobicContact CZ-CG1 3.94Å; F76-I80 HydrophobicContact CZ-CG2 4.2Å; F76-I80 WeakPolarHBondContact O-CG2 3.19Å; F76-I80 PolarHBondContact O-N 3.44Å; I80-Y88 HydrophobicContact CD1-CD2 4.15Å; I80-Y88 HydrophobicContact CD1-CG 3.86Å; I80-M92 HydrophobicContact CD1-CG 4.18Å; I80-M92 HydrophobicContact CD1-SD 4.18Å; I80-V103 HydrophobicContact CD1-CG2 4.29Å; I80-V103 HydrophobicContact CG1-CG1 3.95Å; I80-V103 HydrophobicContact CG1-CG2 3.69Å
81R97.1Very high97.4Very high120 Ų12069.9 Ų69.945%0.45334%0.34SS..  trans-153.3162.2179.2-69-170-48.9-91.31.3109.7D83 N84 M85R81-D83 WeakPolarHBondContact CB-OD1 3.45Å; R81-D83 IonicContact CZ-OD1 3.78Å; R81-D83 IonicContact CZ-OD2 3.94Å; R81-D83 IonicContact NE-OD1 2.72Å; R81-D83 PolarHBondContact NE-OD1 3.38Å; R81-D83 IonicContact NE-OD2 3.55Å; R81-D83 PolarHBondContact NE-OD2 3.4Å; R81-D83 IonicContact NH2-OD1 3.93Å; R81-D83 PolarHBondContact NH2-OD1 2.86Å; R81-D83 IonicContact NH2-OD2 2.79Å; R81-D83 PolarHBondContact NH2-OD2 3.06Å; R81-D83 PolarHBondContact O-N 3.42Å; R81-N84 PolarHBondContact N-OD1 3.12Å; R81-N84 PolarHBondContact O-N 3.18Å; R81-N84 PolarHBondContact O-OD1 3.49Å; R81-M85 WeakPolarHBondContact O-CG 3.43Å; R81-M85 PolarHBondContact O-N 2.9Å
82P96.8Very high97.3Very high50 Ų5066.3 Ų66.333%0.32532%0.321SS..THydrogen-bonded Turntrans-57.4-31178.5-28.137.8000114.7N84 V103 D105P82-N84 PolarHBondContact O-N 2.9Å; P82-V103 HydrophobicContact CG-CG1 4.23Å; P82-D105 WeakPolarHBondContact CD-OD1 3.43Å; P82-D105 WeakPolarHBondContact CG-OD1 3.35Å
83D96.6Very high97.3Very high111 Ų11172.3 Ų72.359%0.59435%0.347SS*.THydrogen-bonded Turntrans-71-25179.966.3-38.8000114.1R81R81-D83 WeakPolarHBondContact CB-OD1 3.45Å; R81-D83 IonicContact CZ-OD1 3.78Å; R81-D83 IonicContact CZ-OD2 3.94Å; R81-D83 IonicContact NE-OD1 2.72Å; R81-D83 PolarHBondContact NE-OD1 3.38Å; R81-D83 IonicContact NE-OD2 3.55Å; R81-D83 PolarHBondContact NE-OD2 3.4Å; R81-D83 IonicContact NH2-OD1 3.93Å; R81-D83 PolarHBondContact NH2-OD1 2.86Å; R81-D83 IonicContact NH2-OD2 2.79Å; R81-D83 PolarHBondContact NH2-OD2 3.06Å; R81-D83 PolarHBondContact O-N 3.42Å
84N97Very high97.3Very high11 Ų1179.3 Ų79.36%0.05937%0.374CS..THydrogen-bonded Turntrans-115.96.6-172.969.423000115.2S79 R81 P82 S86 E87 Y88S79-N84 PolarHBondContact O-ND2 3.13Å; R81-N84 PolarHBondContact N-OD1 3.12Å; R81-N84 PolarHBondContact O-N 3.18Å; R81-N84 PolarHBondContact O-OD1 3.49Å; P82-N84 PolarHBondContact O-N 2.9Å; N84-S86 PolarHBondContact O-N 2.87Å; N84-E87 WeakPolarHBondContact O-CB 3.46Å; N84-E87 PolarHBondContact O-N 3.25Å; N84-Y88 HydrophobicContact CB-CD2 4.2Å; N84-Y88 HydrophobicContact CB-CE2 4.24Å; N84-Y88 WeakPolarHBondContact O-CD2 3.36Å; N84-Y88 PolarHBondContact O-N 3.36Å
85M95.7Very high97.2Very high64 Ų6479.1 Ų79.132%0.31537%0.373SS..Hα-helixtrans-50.2-36.9-176.5-64.9175.569.300114.4R81 E87 Y88 S89 M92 V103R81-M85 WeakPolarHBondContact O-CG 3.43Å; R81-M85 PolarHBondContact O-N 2.9Å; M85-E87 PolarHBondContact O-N 3.38Å; M85-Y88 PolarHBondContact O-N 2.95Å; M85-S89 PolarHBondContact O-N 3.27Å; M85-S89 VanDerWaalsContact O-N 3.1Å; M85-M92 HydrophobicContact CB-SD 4Å; M85-M92 HydrophobicContact CE-CE 3.62Å; M85-M92 HydrophobicContact CE-SD 4.37Å; M85-M92 HydrophobicContact CG-SD 4.39Å; M85-V103 HydrophobicContact CE-CB 3.97Å; M85-V103 HydrophobicContact CE-CG2 4.03Å; M85-V103 HydrophobicContact CG-CB 4.2Å; M85-V103 HydrophobicContact CG-CG1 4.12Å; M85-V103 HydrophobicContact CG-CG2 4.29Å; M85-V103 HydrophobicContact SD-CB 3.97Å; M85-V103 HydrophobicContact SD-CG1 4.29Å; M85-V103 HydrophobicContact SD-CG2 4.46Å
86S95.5Very high97.2Very high96 Ų9676.4 Ų76.467%0.67137%0.368SS*.Hα-helixtrans-62.2-41179.953.50000112.9N84 Y88 S89N84-S86 PolarHBondContact O-N 2.87Å; S86-Y88 VanDerWaalsContact C-N 3.3Å; S86-Y88 PolarHBondContact O-N 3.1Å; S86-S89 PolarHBondContact O-OG 2.9Å; S86-S89 VanDerWaalsContact O-OG 3.05Å
87E97.1Very high97.2Very high156 Ų15676.5 Ų76.573%0.72937%0.369SS*.Hα-helixtrans-67-33.5177.3-57.3-178.8-176.300111.7N84 M85N84-E87 WeakPolarHBondContact O-CB 3.46Å; N84-E87 PolarHBondContact O-N 3.25Å; M85-E87 PolarHBondContact O-N 3.38Å
88Y97Very high97Very high50 Ų5077.9 Ų77.920%0.19638%0.384CS..Hα-helixtrans-93.61.1-176.2-77-88.8000114.9F76 I80 N84 M85 S86 K90 Q91 M92F76-Y88 AromaticContact CD2-CD1 3.79Å; F76-Y88 HydrophobicContact CD2-CD1 3.79Å; F76-Y88 HydrophobicContact CD2-CE1 4.35Å; F76-Y88 AromaticContact CE2-CD1 3.99Å; F76-Y88 HydrophobicContact CE2-CD1 3.99Å; F76-Y88 HydrophobicContact CE2-CG 4.42Å; I80-Y88 HydrophobicContact CD1-CD2 4.15Å; I80-Y88 HydrophobicContact CD1-CG 3.86Å; N84-Y88 HydrophobicContact CB-CD2 4.2Å; N84-Y88 HydrophobicContact CB-CE2 4.24Å; N84-Y88 WeakPolarHBondContact O-CD2 3.36Å; N84-Y88 PolarHBondContact O-N 3.36Å; M85-Y88 PolarHBondContact O-N 2.95Å; S86-Y88 VanDerWaalsContact C-N 3.3Å; S86-Y88 PolarHBondContact O-N 3.1Å; Y88-K90 VanDerWaalsContact C-N 3.27Å; Y88-K90 PolarHBondContact O-N 3.41Å; Y88-Q91 HydrophobicContact CD1-CB 4.34Å; Y88-Q91 CarbonylContact O-C 3.57Å; Y88-Q91 WeakPolarHBondContact O-CA 3.37Å; Y88-Q91 WeakPolarHBondContact O-CB 3.2Å; Y88-Q91 PolarHBondContact O-N 2.94Å; Y88-M92 PolarHBondContact O-N 3.34Å
89S95.2Very high96.6Very high67 Ų6779.3 Ų79.347%0.46940%0.397SS..Hα-helixtrans-40.4-44.6-178.350.10000115.9M85 S86 Q93M85-S89 PolarHBondContact O-N 3.27Å; M85-S89 VanDerWaalsContact O-N 3.1Å; S86-S89 PolarHBondContact O-OG 2.9Å; S86-S89 VanDerWaalsContact O-OG 3.05Å; S89-Q93 PolarHBondContact O-N 3.36Å; S89-Q93 VanDerWaalsContact O-N 3.16Å
90K96.3Very high96.4Very high179 Ų17982.9 Ų82.978%0.77841%0.413SS*.Hα-helixtrans-68.4-35.4176.4-68.2-177.4179.4177.50114Y88 R94Y88-K90 VanDerWaalsContact C-N 3.27Å; Y88-K90 PolarHBondContact O-N 3.41Å; K90-R94 WeakPolarHBondContact O-CB 3.21Å; K90-R94 PolarHBondContact O-N 3.29Å
91Q96.9Very high96.4Very high76 Ų7682.6 Ų82.636%0.35541%0.412SS..Hα-helixtrans-76.7-39.7177.5-67.1-17657.500110.8F76 Y88 Q93 R94 F95F76-Q91 HydrophobicContact CD2-CB 3.72Å; F76-Q91 HydrophobicContact CE2-CB 3.8Å; Y88-Q91 HydrophobicContact CD1-CB 4.34Å; Y88-Q91 CarbonylContact O-C 3.57Å; Y88-Q91 WeakPolarHBondContact O-CA 3.37Å; Y88-Q91 WeakPolarHBondContact O-CB 3.2Å; Y88-Q91 PolarHBondContact O-N 2.94Å; Q91-Q93 VanDerWaalsContact C-N 3.34Å; Q91-Q93 PolarHBondContact O-N 3.35Å; Q91-R94 PolarHBondContact O-N 3.44Å; Q91-R94 VanDerWaalsContact O-N 3.12Å; Q91-F95 HydrophobicContact CB-CD2 3.91Å; Q91-F95 HydrophobicContact CB-CE2 3.96Å; Q91-F95 HydrophobicContact CG-CE2 4.3Å; Q91-F95 VanDerWaalsContact O-CB 3.31Å; Q91-F95 WeakPolarHBondContact O-CB 3.46Å; Q91-F95 WeakPolarHBondContact O-CD2 3.32Å; Q91-F95 WeakPolarHBondContact O-CG 3.49Å; Q91-F95 PolarHBondContact O-N 2.84Å
92M97.9Very high96.4Very high21 Ų2177.7 Ų77.710%0.10340%0.396CS..Hα-helixtrans-51.6-50.1170.9-80.2-178.86900112F76 I80 M85 Y88 F95 N96 V97 V103F76-M92 HydrophobicContact CE2-CG 4.21Å; F76-M92 HydrophobicContact CZ-CG 3.99Å; I80-M92 HydrophobicContact CD1-CG 4.18Å; I80-M92 HydrophobicContact CD1-SD 4.18Å; M85-M92 HydrophobicContact CB-SD 4Å; M85-M92 HydrophobicContact CE-CE 3.62Å; M85-M92 HydrophobicContact CE-SD 4.37Å; M85-M92 HydrophobicContact CG-SD 4.39Å; Y88-M92 PolarHBondContact O-N 3.34Å; M92-F95 PolarHBondContact O-N 2.77Å; M92-N96 PolarHBondContact O-N 3.07Å; M92-V97 CarbonylContact C-O 3.45Å; M92-V97 WeakPolarHBondContact CA-O 3.44Å; M92-V97 WeakPolarHBondContact CB-O 2.96Å; M92-V97 VanDerWaalsContact CE-O 3.25Å; M92-V97 WeakPolarHBondContact CE-O 2.94Å; M92-V97 PolarHBondContact O-N 3.05Å; M92-V103 HydrophobicContact CE-CG2 3.99Å; M92-V103 HydrophobicContact SD-CG2 4.44Å
93Q97.2Very high96.5Very high170 Ų17076 Ų7679%0.79439%0.385SS*.Hα-helixtrans-63.6-43174.8-171.2-178.421.400112.7S89 Q91 F95S89-Q93 PolarHBondContact O-N 3.36Å; S89-Q93 VanDerWaalsContact O-N 3.16Å; Q91-Q93 VanDerWaalsContact C-N 3.34Å; Q91-Q93 PolarHBondContact O-N 3.35Å; Q93-F95 VanDerWaalsContact C-N 3.31Å; Q93-F95 PolarHBondContact O-N 3.1Å
94R97.8Very high96.6Very high148 Ų14871.4 Ų71.456%0.55836%0.359SS*.Hα-helixtrans-64.6-34.3-179.7176.9179172.6-136-10.6113.2D72 K90 Q91D72-R94 IonicContact OD2-CZ 2.67Å; D72-R94 IonicContact OD2-NH1 3.89Å; D72-R94 PolarHBondContact OD2-NH1 3.39Å; D72-R94 IonicContact OD2-NH2 3.62Å; D72-R94 PolarHBondContact OD2-NH2 3.17Å; K90-R94 WeakPolarHBondContact O-CB 3.21Å; K90-R94 PolarHBondContact O-N 3.29Å; Q91-R94 PolarHBondContact O-N 3.44Å; Q91-R94 VanDerWaalsContact O-N 3.12Å
95F98.5Very high96.6Very high1 Ų176.9 Ų76.90%0.00439%0.389CS..THydrogen-bonded Turntrans-104.910-173.2-61.1-45.5000113D72 Y73 F76 Q91 M92 Q93 V97 S146 E147 A148D72-F95 HydrophobicContact CB-CZ 4.44Å; Y73-F95 HydrophobicContact CD2-CB 3.83Å; Y73-F95 AromaticContact CD2-CD1 3.76Å; Y73-F95 HydrophobicContact CD2-CD1 3.76Å; Y73-F95 HydrophobicContact CD2-CD2 4.37Å; Y73-F95 HydrophobicContact CD2-CE1 4.29Å; Y73-F95 AromaticContact CD2-CG 3.76Å; Y73-F95 HydrophobicContact CD2-CG 3.76Å; Y73-F95 HydrophobicContact CE2-CB 3.88Å; Y73-F95 HydrophobicContact CE2-CG 4.34Å; F76-F95 HydrophobicContact CB-CD2 3.76Å; F76-F95 HydrophobicContact CB-CE2 3.49Å; F76-F95 VanDerWaalsContact CB-CE2 3.49Å; F76-F95 HydrophobicContact CB-CZ 4.41Å; F76-F95 HydrophobicContact CD1-CB 4.06Å; F76-F95 AromaticContact CD1-CD2 3.36Å; F76-F95 HydrophobicContact CD1-CD2 3.36Å; F76-F95 HydrophobicContact CD1-CE2 4.05Å; F76-F95 HydrophobicContact CD1-CG 4.02Å; F76-F95 AromaticContact CD2-CD2 3.87Å; F76-F95 HydrophobicContact CD2-CD2 3.87Å; F76-F95 HydrophobicContact CD2-CE2 4.16Å; F76-F95 HydrophobicContact CE1-CB 3.92Å; F76-F95 AromaticContact CE1-CD2 3.85Å; F76-F95 HydrophobicContact CE1-CD2 3.85Å; F76-F95 HydrophobicContact CE1-CG 4.33Å; F76-F95 HydrophobicContact CE2-CD2 4.31Å; F76-F95 AromaticContact CG-CD2 3.37Å; F76-F95 HydrophobicContact CG-CD2 3.37Å; F76-F95 AromaticContact CG-CE2 3.64Å; F76-F95 HydrophobicContact CG-CE2 3.64Å; F76-F95 HydrophobicContact CG-CG 4.43Å; F76-F95 HydrophobicContact CZ-CD2 4.3Å; Q91-F95 HydrophobicContact CB-CD2 3.91Å; Q91-F95 HydrophobicContact CB-CE2 3.96Å; Q91-F95 HydrophobicContact CG-CE2 4.3Å; Q91-F95 VanDerWaalsContact O-CB 3.31Å; Q91-F95 WeakPolarHBondContact O-CB 3.46Å; Q91-F95 WeakPolarHBondContact O-CD2 3.32Å; Q91-F95 WeakPolarHBondContact O-CG 3.49Å; Q91-F95 PolarHBondContact O-N 2.84Å; M92-F95 PolarHBondContact O-N 2.77Å; Q93-F95 VanDerWaalsContact C-N 3.31Å; Q93-F95 PolarHBondContact O-N 3.1Å; F95-V97 VanDerWaalsContact C-N 3.34Å; F95-V97 PolarHBondContact O-N 3.25Å; F95-S146 WeakPolarHBondContact CD1-O 3.48Å; F95-E147 WeakPolarHBondContact O-CA 3.38Å; F95-A148 PolarHBondContact O-N 2.93Å
96N98.1Very high96.7Very high81 Ų8175.3 Ų75.343%0.43339%0.389SS..THydrogen-bonded Turntrans52.943.6179.1-165.639.5000114.3M92 E147 A148M92-N96 PolarHBondContact O-N 3.07Å; N96-E147 HydrophobicContact CB-CB 4.19Å; N96-A148 WeakPolarHBondContact CB-O 3.42Å; N96-A148 PolarHBondContact ND2-O 3.18Å
97V97.8Very high96.8Very high5 Ų570.9 Ų70.93%0.0336%0.358CS..  trans-116.9121.7177.8169.30000109.5F76 L77 M92 F95 C101 V103 A148 Y153F76-V97 HydrophobicContact CE1-CB 4.01Å; F76-V97 HydrophobicContact CE1-CG1 4.33Å; F76-V97 HydrophobicContact CE1-CG2 3.96Å; F76-V97 HydrophobicContact CZ-CB 4.1Å; F76-V97 HydrophobicContact CZ-CG1 4.22Å; L77-V97 HydrophobicContact CD2-CG2 4.42Å; M92-V97 CarbonylContact C-O 3.45Å; M92-V97 WeakPolarHBondContact CA-O 3.44Å; M92-V97 WeakPolarHBondContact CB-O 2.96Å; M92-V97 VanDerWaalsContact CE-O 3.25Å; M92-V97 WeakPolarHBondContact CE-O 2.94Å; M92-V97 PolarHBondContact O-N 3.05Å; F95-V97 VanDerWaalsContact C-N 3.34Å; F95-V97 PolarHBondContact O-N 3.25Å; V97-C101 CarbonylContact C-O 3.49Å; V97-C101 WeakPolarHBondContact CA-O 3.41Å; V97-C101 WeakPolarHBondContact CG1-O 3.37Å; V97-V103 HydrophobicContact CG1-CG2 3.58Å; V97-A148 HydrophobicContact CG2-CB 3.64Å; V97-Y153 HydrophobicContact CG2-CD1 4.07Å; V97-Y153 HydrophobicContact CG2-CE1 4.15Å
98G93.8Very high96.9Very high30 Ų3064.9 Ų64.931%0.30933%0.329SS..SBendtrans157.2-51176.300000114.3C101G98-C101 PolarHBondContact N-O 3.34Å
99E90.9Very high97Very high183 Ų18366 Ų6686%0.85534%0.337SS*.SBendtrans-89.8-98.3-177-62.5-175.1175.100111.1C101E99-C101 PolarHBondContact O-N 3.21Å
100D92.6Very high97.1Very high112 Ų11263.1 Ų63.160%0.59932%0.315SS*.SBendtrans-64-24.1177.3-72.6-17.8000112.7H29 P102 F151H29-D100 PolarHBondContact NE2-O 2.96Å; D100-P102 VanDerWaalsContact C-CD 3.4Å; D100-P102 WeakPolarHBondContact O-CD 3.32Å; D100-F151 HydrophobicContact CB-CE1 4.44Å; D100-F151 WeakPolarHBondContact O-CD1 3.48Å
101C97.9Very high97.3Very high3 Ų354.6 Ų54.62%0.0228%0.279CS..SBendtrans-111.275.9173.3-65.10000109.4V97 G98 E99 A148 F151 Y153V97-C101 CarbonylContact C-O 3.49Å; V97-C101 WeakPolarHBondContact CA-O 3.41Å; V97-C101 WeakPolarHBondContact CG1-O 3.37Å; G98-C101 PolarHBondContact N-O 3.34Å; E99-C101 PolarHBondContact O-N 3.21Å; C101-A148 HydrophobicContact CB-CB 3.82Å; C101-F151 PolarHBondContact SG-N 3.44Å; C101-F151 VanDerWaalsContact SG-N 3.43Å; C101-Y153 WeakPolarHBondContact CA-OH 3.29Å; C101-Y153 HydrophobicContact CB-CD1 4.43Å; C101-Y153 HydrophobicContact CB-CE1 3.64Å
102P98.1Very high97.4Very high17 Ų1752.4 Ų52.411%0.1127%0.268CS..  trans-71152.8-17029-37.3000113.6Y25 D100 F104 L107 Y153Y25-P102 HydrophobicContact CD1-CG 4.11Å; Y25-P102 WeakPolarHBondContact O-CG 3.45Å; D100-P102 VanDerWaalsContact C-CD 3.4Å; D100-P102 WeakPolarHBondContact O-CD 3.32Å; P102-F104 WeakPolarHBondContact O-CD1 3.49Å; P102-L107 WeakPolarHBondContact O-CD1 3.45Å; P102-Y153 WeakPolarHBondContact CD-OH 3.42Å; P102-Y153 PolarHBondContact O-OH 3.39Å
103V98.3Very high97.4Very high16 Ų1651.5 Ų51.510%0.09726%0.264CS..  trans-78.6127.6167.7-177.50000109.2I80 P82 M85 M92 V97I80-V103 HydrophobicContact CD1-CG2 4.29Å; I80-V103 HydrophobicContact CG1-CG1 3.95Å; I80-V103 HydrophobicContact CG1-CG2 3.69Å; P82-V103 HydrophobicContact CG-CG1 4.23Å; M85-V103 HydrophobicContact CE-CB 3.97Å; M85-V103 HydrophobicContact CE-CG2 4.03Å; M85-V103 HydrophobicContact CG-CB 4.2Å; M85-V103 HydrophobicContact CG-CG1 4.12Å; M85-V103 HydrophobicContact CG-CG2 4.29Å; M85-V103 HydrophobicContact SD-CB 3.97Å; M85-V103 HydrophobicContact SD-CG1 4.29Å; M85-V103 HydrophobicContact SD-CG2 4.46Å; M92-V103 HydrophobicContact CE-CG2 3.99Å; M92-V103 HydrophobicContact SD-CG2 4.44Å; V97-V103 HydrophobicContact CG1-CG2 3.58Å
104F98.1Very high97.4Very high13 Ų1343.5 Ų43.56%0.05723%0.227CC..  trans-140.5160.6176.561.2-92.1000111.9Y24 Y25 P102 G106 L107 F110 Y153Y24-F104 VanDerWaalsContact O-CB 3.29Å; Y24-F104 WeakPolarHBondContact O-CB 3.38Å; Y25-F104 HydrophobicContact CD1-CE1 4.08Å; Y25-F104 AromaticContact CD2-CE1 3.84Å; Y25-F104 HydrophobicContact CD2-CE1 3.84Å; Y25-F104 AromaticContact CD2-CZ 3.93Å; Y25-F104 HydrophobicContact CD2-CZ 3.93Å; Y25-F104 HydrophobicContact CE1-CE1 4.22Å; Y25-F104 AromaticContact CE2-CE1 3.96Å; Y25-F104 HydrophobicContact CE2-CE1 3.96Å; Y25-F104 AromaticContact CE2-CZ 3.85Å; Y25-F104 HydrophobicContact CE2-CZ 3.85Å; Y25-F104 HydrophobicContact CG-CD1 4.3Å; Y25-F104 AromaticContact CG-CE1 3.92Å; Y25-F104 HydrophobicContact CG-CE1 3.92Å; Y25-F104 HydrophobicContact CG-CZ 4.47Å; P102-F104 WeakPolarHBondContact O-CD1 3.49Å; F104-G106 PolarHBondContact O-N 3.35Å; F104-L107 HydrophobicContact CD1-CB 4.23Å; F104-L107 HydrophobicContact CD1-CD1 3.97Å; F104-L107 HydrophobicContact CD1-CG 4.38Å; F104-L107 HydrophobicContact CD2-CB 4.11Å; F104-L107 HydrophobicContact CE1-CB 4.09Å; F104-L107 HydrophobicContact CE1-CD1 3.87Å; F104-L107 HydrophobicContact CE1-CG 3.96Å; F104-L107 HydrophobicContact CE2-CB 3.96Å; F104-L107 HydrophobicContact CG-CB 4.25Å; F104-L107 HydrophobicContact CZ-CB 3.95Å; F104-L107 HydrophobicContact CZ-CD1 4.48Å; F104-L107 HydrophobicContact CZ-CG 4.08Å; F104-L107 VanDerWaalsContact O-CB 3.29Å; F104-L107 WeakPolarHBondContact O-CB 3.16Å; F104-L107 PolarHBondContact O-N 3.3Å; F104-L107 VanDerWaalsContact O-N 3.17Å; F104-F110 HydrophobicContact CE2-CB 4.32Å; F104-F110 HydrophobicContact CZ-CB 4.39Å; F104-F110 HydrophobicContact CZ-CD1 4.17Å; F104-F110 HydrophobicContact CZ-CG 4.36Å; F104-Y153 HydrophobicContact CE1-CE2 4.07Å
105D97.9Very high97.5Very high126 Ų12636.4 Ų36.467%0.67420%0.2SC*.THydrogen-bonded Turntrans-62.9127.1179.7-70.4-48.4000111.4P82P82-D105 WeakPolarHBondContact CD-OD1 3.43Å; P82-D105 WeakPolarHBondContact CG-OD1 3.35Å
106G97.8Very high97.5Very high32 Ų3236.4 Ų36.433%0.3320%0.2SC..THydrogen-bonded Turntrans78.311.3-177.300000115.5Y23 F104 F108 E109 F110Y23-G106 WeakPolarHBondContact CE1-O 3.26Å; F104-G106 PolarHBondContact O-N 3.35Å; G106-F108 VanDerWaalsContact C-N 3.28Å; G106-F108 PolarHBondContact O-N 2.96Å; G106-E109 WeakPolarHBondContact O-CB 3.16Å; G106-E109 PolarHBondContact O-N 2.81Å; G106-F110 PolarHBondContact O-N 3.5Å
107L98.4Very high97.5Very high3 Ų332.5 Ų32.52%0.01618%0.179CC..Hα-helixtrans-47.4-46.1178.2177.8156.3000113.6L77 P102 F104 F110 C111 Y153L77-L107 HydrophobicContact CD2-CD2 4.12Å; P102-L107 WeakPolarHBondContact O-CD1 3.45Å; F104-L107 HydrophobicContact CD1-CB 4.23Å; F104-L107 HydrophobicContact CD1-CD1 3.97Å; F104-L107 HydrophobicContact CD1-CG 4.38Å; F104-L107 HydrophobicContact CD2-CB 4.11Å; F104-L107 HydrophobicContact CE1-CB 4.09Å; F104-L107 HydrophobicContact CE1-CD1 3.87Å; F104-L107 HydrophobicContact CE1-CG 3.96Å; F104-L107 HydrophobicContact CE2-CB 3.96Å; F104-L107 HydrophobicContact CG-CB 4.25Å; F104-L107 HydrophobicContact CZ-CB 3.95Å; F104-L107 HydrophobicContact CZ-CD1 4.48Å; F104-L107 HydrophobicContact CZ-CG 4.08Å; F104-L107 VanDerWaalsContact O-CB 3.29Å; F104-L107 WeakPolarHBondContact O-CB 3.16Å; F104-L107 PolarHBondContact O-N 3.3Å; F104-L107 VanDerWaalsContact O-N 3.17Å; L107-F110 PolarHBondContact O-N 3.23Å; L107-C111 PolarHBondContact O-N 2.99Å; L107-C111 PolarHBondContact O-SG 2.97Å; L107-Y153 HydrophobicContact CD1-CD1 4.25Å; L107-Y153 HydrophobicContact CD1-CE1 3.76Å; L107-Y153 HydrophobicContact CD1-CE2 4.37Å; L107-Y153 HydrophobicContact CD2-CD1 4.4Å; L107-Y153 HydrophobicContact CD2-CG 4.49Å; L107-Y153 HydrophobicContact CG-CE1 4.48Å; L107-Y153 HydrophobicContact CG-CE2 4.5Å
108F98.6Very high97.6Very high29 Ų2932.3 Ų32.313%0.12718%0.178CC..Hα-helixtrans-63.6-44178.5-170-111.2000111.6M65 I74 L77 R78 G106 F110 C111 Q112M65-F108 HydrophobicContact CE-CE2 4.46Å; M65-F108 HydrophobicContact CE-CZ 4.46Å; M65-F108 HydrophobicContact SD-CE2 3.91Å; M65-F108 HydrophobicContact SD-CZ 4.08Å; I74-F108 HydrophobicContact CG2-CE2 4.35Å; L77-F108 HydrophobicContact CB-CD2 3.93Å; L77-F108 HydrophobicContact CB-CE2 4.36Å; R78-F108 HydrophobicContact CB-CD1 4.3Å; R78-F108 HydrophobicContact CB-CD2 4.03Å; R78-F108 HydrophobicContact CB-CE1 4.15Å; R78-F108 HydrophobicContact CB-CE2 3.89Å; R78-F108 HydrophobicContact CB-CG 4.24Å; R78-F108 HydrophobicContact CB-CZ 3.95Å; R78-F108 HydrophobicContact CG-CD1 4Å; R78-F108 HydrophobicContact CG-CE1 3.78Å; R78-F108 HydrophobicContact CG-CE2 4.42Å; R78-F108 HydrophobicContact CG-CG 4.41Å; R78-F108 HydrophobicContact CG-CZ 4.02Å; G106-F108 VanDerWaalsContact C-N 3.28Å; G106-F108 PolarHBondContact O-N 2.96Å; F108-F110 PolarHBondContact O-N 3.18Å; F108-C111 WeakPolarHBondContact O-CA 3.31Å; F108-C111 VanDerWaalsContact O-CB 3.3Å; F108-C111 WeakPolarHBondContact O-CB 3.41Å; F108-C111 PolarHBondContact O-N 2.92Å; F108-C111 VanDerWaalsContact O-N 3.08Å; F108-Q112 HydrophobicContact CD1-CG 3.89Å; F108-Q112 HydrophobicContact CE1-CG 3.67Å; F108-Q112 HydrophobicContact CZ-CG 4.13Å; F108-Q112 WeakPolarHBondContact O-CG 3.37Å; F108-Q112 PolarHBondContact O-N 3.27Å
109E98.6Very high97.8Very high74 Ų7431 Ų3135%0.34616%0.164SC..Hα-helixtrans-64.3-38.9-180-54.4-157.3131.500112.7Y23 K59 G106 C111 Q112 L113Y23-E109 HydrophobicContact CE1-CB 4Å; Y23-E109 VanDerWaalsContact OH-CB 3.26Å; Y23-E109 WeakPolarHBondContact OH-CB 3.41Å; Y23-E109 PolarHBondContact OH-OE2 2.98Å; K59-E109 IonicContact NZ-OE1 2.61Å; K59-E109 PolarHBondContact NZ-OE1 3.42Å; K59-E109 IonicContact NZ-OE2 2.8Å; K59-E109 PolarHBondContact NZ-OE2 2.82Å; K59-E109 VanDerWaalsContact NZ-OE2 3.17Å; G106-E109 WeakPolarHBondContact O-CB 3.16Å; G106-E109 PolarHBondContact O-N 2.81Å; E109-C111 VanDerWaalsContact C-N 3.27Å; E109-C111 PolarHBondContact O-N 3.02Å; E109-Q112 WeakPolarHBondContact O-CB 3.42Å; E109-Q112 PolarHBondContact O-N 3.28Å; E109-Q112 VanDerWaalsContact O-N 3.07Å; E109-L113 WeakPolarHBondContact O-CG 3.33Å; E109-L113 PolarHBondContact O-N 2.93Å
110F98.7Very high98.2Very high6 Ų622.9 Ų22.93%0.02613%0.128CC..Hα-helixtrans-55.9-44.1171.7171.7-99.7000111.2V20 Y23 Y25 P33 F104 G106 L107 F108 L113 S114 L140V20-F110 HydrophobicContact CG2-CD2 4.33Å; V20-F110 HydrophobicContact CG2-CE2 4.27Å; Y23-F110 HydrophobicContact CD1-CB 4.11Å; Y23-F110 HydrophobicContact CD2-CB 4.05Å; Y23-F110 HydrophobicContact CD2-CD2 4.04Å; Y23-F110 HydrophobicContact CE1-CB 4.5Å; Y23-F110 HydrophobicContact CE2-CB 4.44Å; Y23-F110 HydrophobicContact CG-CB 3.88Å; Y23-F110 HydrophobicContact CG-CD2 4.24Å; Y23-F110 HydrophobicContact CG-CG 4.48Å; Y25-F110 HydrophobicContact CE2-CD1 4.43Å; Y25-F110 AromaticContact CE2-CE1 3.95Å; Y25-F110 HydrophobicContact CE2-CE1 3.95Å; Y25-F110 HydrophobicContact CE2-CZ 4.08Å; Y25-F110 VanDerWaalsContact OH-CE1 3.26Å; Y25-F110 WeakPolarHBondContact OH-CE1 3.37Å; P33-F110 HydrophobicContact CB-CD2 4.49Å; P33-F110 HydrophobicContact CB-CE2 3.95Å; P33-F110 HydrophobicContact CG-CD2 4.3Å; P33-F110 HydrophobicContact CG-CE2 3.77Å; P33-F110 HydrophobicContact CG-CZ 4.28Å; F104-F110 HydrophobicContact CE2-CB 4.32Å; F104-F110 HydrophobicContact CZ-CB 4.39Å; F104-F110 HydrophobicContact CZ-CD1 4.17Å; F104-F110 HydrophobicContact CZ-CG 4.36Å; G106-F110 PolarHBondContact O-N 3.5Å; L107-F110 PolarHBondContact O-N 3.23Å; F108-F110 PolarHBondContact O-N 3.18Å; F110-L113 PolarHBondContact O-N 3.24Å; F110-S114 WeakPolarHBondContact O-CB 3.15Å; F110-S114 PolarHBondContact O-N 2.92Å; F110-L140 HydrophobicContact CE1-CD2 4.15Å
111C98.8Very high98.5Very high1 Ų117.5 Ų17.51%0.00710%0.099CC..Hα-helixtrans-64.2-39.5174.1-57.10000112.1M65 L107 F108 E109 A115 V154M65-C111 HydrophobicContact CE-CB 4.27Å; L107-C111 PolarHBondContact O-N 2.99Å; L107-C111 PolarHBondContact O-SG 2.97Å; F108-C111 WeakPolarHBondContact O-CA 3.31Å; F108-C111 VanDerWaalsContact O-CB 3.3Å; F108-C111 WeakPolarHBondContact O-CB 3.41Å; F108-C111 PolarHBondContact O-N 2.92Å; F108-C111 VanDerWaalsContact O-N 3.08Å; E109-C111 VanDerWaalsContact C-N 3.27Å; E109-C111 PolarHBondContact O-N 3.02Å; C111-A115 VanDerWaalsContact O-CB 3.26Å; C111-A115 WeakPolarHBondContact O-CB 3.31Å; C111-A115 PolarHBondContact O-N 3.34Å; C111-V154 HydrophobicContact CB-CB 4.16Å; C111-V154 HydrophobicContact CB-CG2 3.79Å
112Q98.8Very high98.5Very high30 Ų3017.4 Ų17.414%0.1410%0.098CC..Hα-helixtrans-64.4-40.5178.5-66-172.2-82.600112.9K59 A60 M65 F108 E109 G116K59-Q112 HydrophobicContact CB-CB 3.87Å; K59-Q112 HydrophobicContact CG-CB 4.17Å; A60-Q112 WeakPolarHBondContact CB-O 3.39Å; A60-Q112 PolarHBondContact N-O 3.46Å; A60-Q112 VanDerWaalsContact O-CG 3.28Å; A60-Q112 WeakPolarHBondContact O-CG 3.41Å; A60-Q112 PolarHBondContact O-NE2 3.4Å; M65-Q112 HydrophobicContact CE-CB 4.2Å; M65-Q112 HydrophobicContact CE-CG 3.73Å; F108-Q112 HydrophobicContact CD1-CG 3.89Å; F108-Q112 HydrophobicContact CE1-CG 3.67Å; F108-Q112 HydrophobicContact CZ-CG 4.13Å; F108-Q112 WeakPolarHBondContact O-CG 3.37Å; F108-Q112 PolarHBondContact O-N 3.27Å; E109-Q112 WeakPolarHBondContact O-CB 3.42Å; E109-Q112 PolarHBondContact O-N 3.28Å; E109-Q112 VanDerWaalsContact O-N 3.07Å; Q112-G116 WeakPolarHBondContact O-CA 3.34Å; Q112-G116 PolarHBondContact O-N 3.26Å
113L98.8Very high98.6Very high2 Ų216.9 Ų16.91%0.0110%0.095CC..Hα-helixtrans-71.7-43.1178.1-66.2174.7000111.7D17 D19 Y23 P57 K59 E109 F110 G116 G117D17-L113 HydrophobicContact CB-CD1 4.1Å; D17-L113 HydrophobicContact CB-CD2 3.88Å; D17-L113 HydrophobicContact CB-CG 4.48Å; D17-L113 WeakPolarHBondContact OD2-CD2 3.44Å; D19-L113 HydrophobicContact CB-CD1 4.41Å; Y23-L113 HydrophobicContact CE2-CD1 3.76Å; P57-L113 HydrophobicContact CG-CD2 4.44Å; K59-L113 HydrophobicContact CG-CD2 3.83Å; K59-L113 HydrophobicContact CG-CG 4.42Å; E109-L113 WeakPolarHBondContact O-CG 3.33Å; E109-L113 PolarHBondContact O-N 2.93Å; F110-L113 PolarHBondContact O-N 3.24Å; L113-G116 PolarHBondContact O-N 3.42Å; L113-G117 PolarHBondContact O-N 3.04Å; L113-G117 VanDerWaalsContact O-N 3.15Å
114S98.1Very high98.6Very high1 Ų117.2 Ų17.21%0.00710%0.095CC..Hα-helixtrans-59.6-53176.3-179.40000111.4F110 S118 N135 A137 L140F110-S114 WeakPolarHBondContact O-CB 3.15Å; F110-S114 PolarHBondContact O-N 2.92Å; S114-S118 PolarHBondContact O-OG 2.84Å; S114-N135 PolarHBondContact O-ND2 3.36Å; S114-A137 WeakPolarHBondContact CB-O 3.45Å; S114-A137 PolarHBondContact OG-O 2.85Å; S114-L140 WeakPolarHBondContact OG-CD1 3.35Å
115A98.8Very high98.6Very high0 Ų016.7 Ų16.70%09%0.093CC..Hα-helixtrans-65.2-41177.300000113.1A60 M65 C111 G117 S118 V119 V154 D156 L159A60-A115 HydrophobicContact CB-CB 3.92Å; M65-A115 HydrophobicContact CE-CB 4.32Å; C111-A115 VanDerWaalsContact O-CB 3.26Å; C111-A115 WeakPolarHBondContact O-CB 3.31Å; C111-A115 PolarHBondContact O-N 3.34Å; A115-G117 PolarHBondContact O-N 3.27Å; A115-S118 PolarHBondContact O-N 3.01Å; A115-V119 WeakPolarHBondContact O-CB 3.02Å; A115-V119 WeakPolarHBondContact O-CG2 3.5Å; A115-V119 PolarHBondContact O-N 2.72Å; A115-V154 HydrophobicContact CB-CG1 4.11Å; A115-D156 HydrophobicContact CB-CB 4.32Å; A115-L159 HydrophobicContact CB-CD1 4.24Å
116G98.7Very high98.6Very high0 Ų011 Ų110%06%0.062CC..Hα-helixtrans-60.2-43.3-178.900000113H58 Q112 L113 S118 A120H58-G116 WeakPolarHBondContact O-CA 3.41Å; Q112-G116 WeakPolarHBondContact O-CA 3.34Å; Q112-G116 PolarHBondContact O-N 3.26Å; L113-G116 PolarHBondContact O-N 3.42Å; G116-S118 PolarHBondContact O-N 3.4Å; G116-A120 WeakPolarHBondContact O-CB 3.38Å; G116-A120 PolarHBondContact O-N 3.23Å
117G98.8Very high98.6Very high0 Ų012.3 Ų12.30%06%0.059CC..Hα-helixtrans-62.6-41.7176.300000113.5L113 A115 G121L113-G117 PolarHBondContact O-N 3.04Å; L113-G117 VanDerWaalsContact O-N 3.15Å; A115-G117 PolarHBondContact O-N 3.27Å; G117-G121 PolarHBondContact O-N 3.42Å
118S98.9Very high98.6Very high0 Ų020.6 Ų20.60%010%0.097CC..Hα-helixtrans-72.7-40.6-178.9-58.50000111.9S114 A115 G116 A122 N135 D156 L299S114-S118 PolarHBondContact O-OG 2.84Å; A115-S118 PolarHBondContact O-N 3.01Å; G116-S118 PolarHBondContact O-N 3.4Å; S118-A122 PolarHBondContact O-N 3.18Å; S118-N135 PolarHBondContact N-ND2 2.85Å; S118-N135 PolarHBondContact OG-ND2 2.84Å; S118-D156 WeakPolarHBondContact CB-OD2 3.25Å; S118-D156 PolarHBondContact OG-OD2 2.89Å; S118-L299 VanDerWaalsContact OG-CD2 3.28Å; S118-L299 WeakPolarHBondContact OG-CD2 3.28Å
119V98.8Very high98.5Very high4 Ų422.4 Ų22.42%0.02411%0.106CC..Hα-helixtrans-68.7-44.6176173.60000111.3A115 G121 A122 V123 L159 A389 V390A115-V119 WeakPolarHBondContact O-CB 3.02Å; A115-V119 WeakPolarHBondContact O-CG2 3.5Å; A115-V119 PolarHBondContact O-N 2.72Å; V119-G121 VanDerWaalsContact C-N 3.33Å; V119-G121 PolarHBondContact O-N 2.77Å; V119-A122 WeakPolarHBondContact O-CB 3.44Å; V119-A122 PolarHBondContact O-N 2.68Å; V119-V123 WeakPolarHBondContact O-CG2 3.39Å; V119-V123 PolarHBondContact O-N 3.33Å; V119-L159 HydrophobicContact CG2-CB 3.84Å; V119-A389 HydrophobicContact CG1-CB 3.4Å; V119-A389 VanDerWaalsContact CG1-CB 3.4Å; V119-V390 HydrophobicContact CG1-CG2 4.26Å
120A98.7Very high98.5Very high11 Ų1119.3 Ų19.39%0.0919%0.092CC..Hα-helixtrans-62.9-39.3175.700000112Y15 G116 V123 K124Y15-A120 HydrophobicContact CD1-CB 4.26Å; Y15-A120 HydrophobicContact CE1-CB 3.51Å; Y15-A120 VanDerWaalsContact OH-C 3.32Å; Y15-A120 PolarHBondContact OH-O 3.23Å; G116-A120 WeakPolarHBondContact O-CB 3.38Å; G116-A120 PolarHBondContact O-N 3.23Å; A120-V123 PolarHBondContact O-N 3.41Å; A120-K124 PolarHBondContact O-N 2.88Å
121G98.8Very high98.5Very high0 Ų022.5 Ų22.50%011%0.11CC..Hα-helixtrans-60.1-44172.300000112.8G117 V119 K124 L125G117-G121 PolarHBondContact O-N 3.42Å; V119-G121 VanDerWaalsContact C-N 3.33Å; V119-G121 PolarHBondContact O-N 2.77Å; G121-K124 PolarHBondContact O-N 2.83Å; G121-L125 WeakPolarHBondContact O-CG 3.46Å; G121-L125 PolarHBondContact O-N 3.22Å; G121-L125 VanDerWaalsContact O-N 3.08Å
122A98.8Very high98.5Very high0 Ų022.4 Ų22.40%011%0.109CC..Hα-helixtrans-62.2-41.5174.100000112.8S118 V119 L125 N126 A160 E163 L164S118-A122 PolarHBondContact O-N 3.18Å; V119-A122 WeakPolarHBondContact O-CB 3.44Å; V119-A122 PolarHBondContact O-N 2.68Å; A122-L125 PolarHBondContact O-N 3.4Å; A122-N126 WeakPolarHBondContact O-CB 3.41Å; A122-N126 PolarHBondContact O-N 3.38Å; A122-A160 HydrophobicContact CB-CB 4.14Å; A122-A160 WeakPolarHBondContact CB-O 3.38Å; A122-E163 HydrophobicContact CB-CB 3.86Å; A122-E163 HydrophobicContact CB-CG 4.02Å; A122-L164 HydrophobicContact CB-CD2 4.16Å; A122-L164 HydrophobicContact CB-CG 3.99Å
123V98.6Very high98.5Very high6 Ų621 Ų214%0.03610%0.103CC..Hα-helixtrans-62.4-44.3174.6173.90000111.4V119 A120 L125 N126 K127 E163 A389 V390V119-V123 WeakPolarHBondContact O-CG2 3.39Å; V119-V123 PolarHBondContact O-N 3.33Å; A120-V123 PolarHBondContact O-N 3.41Å; V123-L125 VanDerWaalsContact C-N 3.31Å; V123-L125 PolarHBondContact O-N 2.95Å; V123-N126 PolarHBondContact O-N 3.2Å; V123-K127 HydrophobicContact CG1-CD 3.88Å; V123-K127 HydrophobicContact CG1-CG 4.32Å; V123-K127 WeakPolarHBondContact O-CB 3.16Å; V123-K127 WeakPolarHBondContact O-CG 3.37Å; V123-K127 PolarHBondContact O-N 3.26Å; V123-E163 HydrophobicContact CG2-CG 3.77Å; V123-A389 HydrophobicContact CG2-CB 4.41Å; V123-V390 HydrophobicContact CG1-CB 4.49Å; V123-V390 HydrophobicContact CG2-CB 4.21Å; V123-V390 HydrophobicContact CG2-CG2 4.1Å
124K98.5Very high98.5Very high23 Ų2320.9 Ų20.910%0.110%0.102CC..Hα-helixtrans-59.4-39.4175.5-86.7-71.8-177.2175.70112.9Y15 Y55 A120 G121 Q128 Q129 T130Y15-K124 WeakPolarHBondContact OH-CG 3.24Å; Y55-K124 PolarHBondContact OH-NZ 2.87Å; A120-K124 PolarHBondContact O-N 2.88Å; G121-K124 PolarHBondContact O-N 2.83Å; K124-Q128 PolarHBondContact O-N 3.41Å; K124-Q129 HydrophobicContact CD-CB 3.78Å; K124-Q129 VanDerWaalsContact CD-OE1 3.28Å; K124-Q129 PolarHBondContact O-N 2.94Å; K124-T130 HydrophobicContact CB-CG2 3.94Å
125L98.6Very high98.5Very high3 Ų321 Ų212%0.01610%0.102CC..Hα-helixtrans-68.8-47176.8-68.9165.9000111.4G121 A122 V123 K127 Q128 T130 A133 L164 P295 L297G121-L125 WeakPolarHBondContact O-CG 3.46Å; G121-L125 PolarHBondContact O-N 3.22Å; G121-L125 VanDerWaalsContact O-N 3.08Å; A122-L125 PolarHBondContact O-N 3.4Å; V123-L125 VanDerWaalsContact C-N 3.31Å; V123-L125 PolarHBondContact O-N 2.95Å; L125-K127 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 2.97Å; L125-Q128 WeakPolarHBondContact O-CA 3.36Å; L125-Q128 PolarHBondContact O-N 2.86Å; L125-T130 HydrophobicContact CD2-CG2 3.76Å; L125-T130 HydrophobicContact CG-CG2 4.14Å; L125-A133 HydrophobicContact CD1-CB 4.03Å; L125-A133 HydrophobicContact CG-CB 4.13Å; L125-L164 HydrophobicContact CB-CD2 4.09Å; L125-L164 HydrophobicContact CD1-CD2 4.41Å; L125-P295 HydrophobicContact CB-CB 4.43Å; L125-P295 HydrophobicContact CD2-CB 3.93Å; L125-L297 HydrophobicContact CD1-CB 3.79Å
126N98.4Very high98.6Very high5 Ų521 Ų213%0.02710%0.103CC..Hα-helixtrans-56.7-44.9175.1-80.7-18.4000112.5A122 V123 Q128 E163 L164 Y167 H168A122-N126 WeakPolarHBondContact O-CB 3.41Å; A122-N126 PolarHBondContact O-N 3.38Å; V123-N126 PolarHBondContact O-N 3.2Å; N126-Q128 PolarHBondContact O-N 3.17Å; N126-E163 PolarHBondContact ND2-O 2.96Å; N126-L164 WeakPolarHBondContact OD1-CA 3.32Å; N126-Y167 HydrophobicContact CB-CD2 3.56Å; N126-Y167 HydrophobicContact CB-CE2 3.89Å; N126-Y167 HydrophobicContact CB-CG 4.11Å; N126-Y167 WeakPolarHBondContact ND2-CD2 3.14Å; N126-H168 PolarHBondContact OD1-CD2 2.72Å
127K97.6Very high98.6Very high60 Ų6021.6 Ų21.626%0.26111%0.107SC..THydrogen-bonded Turntrans-720.1176.3-69.5-178.7174.9175.70113.7V123 L125 Q129 D388 E392V123-K127 HydrophobicContact CG1-CD 3.88Å; V123-K127 HydrophobicContact CG1-CG 4.32Å; V123-K127 WeakPolarHBondContact O-CB 3.16Å; V123-K127 WeakPolarHBondContact O-CG 3.37Å; V123-K127 PolarHBondContact O-N 3.26Å; L125-K127 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 2.97Å; K127-Q129 HydrophobicContact CB-CG 3.91Å; K127-Q129 PolarHBondContact O-N 2.99Å; K127-Q129 VanDerWaalsContact O-N 3.16Å; K127-D388 WeakPolarHBondContact CE-OD2 3.32Å; K127-D388 IonicContact NZ-OD2 3.44Å; K127-E392 IonicContact NZ-OE2 3.73Å; K127-E392 PolarHBondContact NZ-OE2 3.47Å
128Q97.5Very high98.6Very high177 Ų17721.6 Ų21.683%0.82711%0.108SC*.THydrogen-bonded Turntrans56.827.8-179.5-55.917424.600113.2K124 L125 N126K124-Q128 PolarHBondContact O-N 3.41Å; L125-Q128 WeakPolarHBondContact O-CA 3.36Å; L125-Q128 PolarHBondContact O-N 2.86Å; N126-Q128 PolarHBondContact O-N 3.17Å
129Q97.6Very high98.5Very high67 Ų6721.7 Ų21.731%0.31311%0.108SC..SBendtrans-90.1-5.3-178.6-66.6-176.711.200113.1K11 K124 K127K11-Q129 VanDerWaalsContact CD-O 3.3Å; K11-Q129 WeakPolarHBondContact CD-O 3.43Å; K11-Q129 WeakPolarHBondContact CE-O 3.43Å; K11-Q129 PolarHBondContact NZ-O 2.86Å; K124-Q129 HydrophobicContact CD-CB 3.78Å; K124-Q129 VanDerWaalsContact CD-OE1 3.28Å; K124-Q129 PolarHBondContact O-N 2.94Å; K127-Q129 HydrophobicContact CB-CG 3.91Å; K127-Q129 PolarHBondContact O-N 2.99Å; K127-Q129 VanDerWaalsContact O-N 3.16Å
130T98.3Very high98.5Very high9 Ų922.1 Ų22.16%0.05511%0.11CC..  trans-153.1154.8174.2-1630000110.7K11 C13 K124 L125 I132 A133K11-T130 PolarHBondContact O-OG1 2.65Å; C13-T130 HydrophobicContact CB-CG2 4.4Å; C13-T130 PolarHBondContact N-OG1 3.38Å; C13-T130 WeakPolarHBondContact SG-CB 3.41Å; C13-T130 PolarHBondContact SG-OG1 3.17Å; C13-T130 VanDerWaalsContact SG-OG1 3.36Å; K124-T130 HydrophobicContact CB-CG2 3.94Å; L125-T130 HydrophobicContact CD2-CG2 3.76Å; L125-T130 HydrophobicContact CG-CG2 4.14Å; T130-I132 WeakPolarHBondContact CG2-O 3.36Å; T130-I132 PolarHBondContact OG1-O 3.34Å; T130-A133 HydrophobicContact CG2-CB 4.31Å
131D98.6Very high98.5Very high73 Ų7321.8 Ų21.839%0.3911%0.107SC..SBendtrans-89-34.3172.3-60.8-74.3000111.6K10 K11 P295 L296K10-D131 VanDerWaalsContact CA-OD2 3.32Å; K10-D131 WeakPolarHBondContact CA-OD2 2.93Å; K10-D131 HydrophobicContact CB-CB 3.85Å; K10-D131 HydrophobicContact CD-CB 4.1Å; K10-D131 HydrophobicContact CG-CB 3.99Å; K11-D131 PolarHBondContact N-OD2 2.36Å; K11-D131 PolarHBondContact O-N 3.2Å; K11-D131 VanDerWaalsContact O-N 3.14Å; D131-P295 WeakPolarHBondContact O-CA 3.33Å; D131-L296 PolarHBondContact O-N 2.78Å
132I98.9Very high98.6Very high0 Ų022.1 Ų22.10%011%0.108CC..EExtended strand (participates in β ladder)trans-129.1135.7179.4-50.5-178.9000109.2K10 K11 V12 C13 T130 I134 K290 L296 M298 A320K10-I132 HydrophobicContact CB-CD1 4.37Å; K10-I132 HydrophobicContact CD-CD1 3.98Å; K10-I132 HydrophobicContact CD-CG1 4.16Å; K11-I132 PolarHBondContact O-N 3.23Å; V12-I132 WeakPolarHBondContact CA-O 3.32Å; V12-I132 HydrophobicContact CG1-CB 4.42Å; V12-I132 HydrophobicContact CG1-CG2 4.49Å; V12-I132 HydrophobicContact CG2-CB 4.2Å; V12-I132 HydrophobicContact CG2-CD1 4.34Å; C13-I132 PolarHBondContact N-O 3.14Å; T130-I132 WeakPolarHBondContact CG2-O 3.36Å; T130-I132 PolarHBondContact OG1-O 3.34Å; I132-I134 HydrophobicContact CG2-CG1 4.01Å; I132-K290 HydrophobicContact CD1-CD 4.38Å; I132-K290 HydrophobicContact CD1-CG 4.31Å; I132-L296 CarbonylContact C-O 3.54Å; I132-L296 VanDerWaalsContact CA-O 3.26Å; I132-L296 WeakPolarHBondContact CA-O 3.39Å; I132-L296 HydrophobicContact CG1-CB 4.39Å; I132-M298 HydrophobicContact CG2-CG 4.3Å; I132-M298 HydrophobicContact CG2-SD 3.89Å; I132-A320 HydrophobicContact CD1-CB 4.1Å
133A98.9Very high98.5Very high0 Ų022.1 Ų22.10%011%0.108CC..EExtended strand (participates in β ladder)trans-118.9138.6166.800000109.2C13 Y15 L125 T130 L296 L297 M298C13-A133 CarbonylContact O-C 3.59Å; C13-A133 WeakPolarHBondContact O-CA 3.23Å; Y15-A133 HydrophobicContact CE2-CB 4.43Å; L125-A133 HydrophobicContact CD1-CB 4.03Å; L125-A133 HydrophobicContact CG-CB 4.13Å; T130-A133 HydrophobicContact CG2-CB 4.31Å; A133-L296 PolarHBondContact N-O 2.78Å; A133-L297 HydrophobicContact CB-CD1 3.8Å; A133-L297 CarbonylContact O-C 3.53Å; A133-L297 WeakPolarHBondContact O-CA 3.27Å; A133-M298 PolarHBondContact O-N 2.84Å
134I98.9Very high98.5Very high0 Ų022.6 Ų22.60%011%0.11CC..EExtended strand (participates in β ladder)trans-125.1125.4-176.8-53.6-178.6000109.9V12 C13 Y14 Y15 I132 W136 M298 T317 A320V12-I134 HydrophobicContact CG1-CD1 3.62Å; V12-I134 HydrophobicContact CG1-CG1 4.02Å; C13-I134 PolarHBondContact O-N 3.38Å; Y14-I134 WeakPolarHBondContact CA-O 3.22Å; Y14-I134 HydrophobicContact CD2-CB 4.05Å; Y14-I134 HydrophobicContact CD2-CG2 3.91Å; Y14-I134 HydrophobicContact CE2-CG2 4.46Å; Y15-I134 PolarHBondContact N-O 2.7Å; I132-I134 HydrophobicContact CG2-CG1 4.01Å; I134-W136 HydrophobicContact CG2-CD2 3.73Å; I134-W136 HydrophobicContact CG2-CE3 4.26Å; I134-W136 HydrophobicContact CG2-CG 4.21Å; I134-W136 HydrophobicContact CG2-CH2 4.23Å; I134-W136 HydrophobicContact CG2-CZ2 3.65Å; I134-W136 HydrophobicContact CG2-CZ3 4.47Å; I134-M298 CarbonylContact C-O 3.56Å; I134-M298 WeakPolarHBondContact CA-O 3.41Å; I134-M298 HydrophobicContact CD1-SD 4.44Å; I134-M298 HydrophobicContact CG1-CB 4.25Å; I134-M298 HydrophobicContact CG1-SD 4.36Å; I134-M298 HydrophobicContact CG2-CB 4.5Å; I134-T317 HydrophobicContact CD1-CG2 4.08Å; I134-A320 HydrophobicContact CD1-CB 3.92Å
135N98.9Very high98.6Very high2 Ų226.7 Ų26.71%0.01113%0.128CC..EExtended strand (participates in β ladder)trans-133.993.4171.317823.1000111.3S114 S118 A137 G138 M298 L299 G300S114-N135 PolarHBondContact O-ND2 3.36Å; S118-N135 PolarHBondContact N-ND2 2.85Å; S118-N135 PolarHBondContact OG-ND2 2.84Å; N135-A137 PolarHBondContact O-N 3.06Å; N135-A137 WeakPolarHBondContact OD1-CB 3.44Å; N135-A137 PolarHBondContact OD1-N 3.18Å; N135-A137 VanDerWaalsContact OD1-N 3.1Å; N135-G138 PolarHBondContact ND2-N 2.96Å; N135-G138 PolarHBondContact O-N 2.88Å; N135-G138 VanDerWaalsContact O-N 3.13Å; N135-G138 PolarHBondContact OD1-N 3.24Å; N135-M298 PolarHBondContact N-O 3.32Å; N135-L299 HydrophobicContact CB-CD2 3.91Å; N135-L299 WeakPolarHBondContact O-CA 3.38Å; N135-G300 PolarHBondContact O-N 3.03Å
136W98.9Very high98.5Very high2 Ų228.6 Ų28.61%0.00814%0.141CC..THydrogen-bonded Turntrans-70.9-7.9177.5-60.1140.8000114.3Y14 I36 I134 C262 M298 L299 W313 E316 T317Y14-W136 AromaticContact CE2-CD1 3.58Å; Y14-W136 HydrophobicContact CE2-CG 4.41Å; I36-W136 HydrophobicContact CG2-CB 4.49Å; I134-W136 HydrophobicContact CG2-CD2 3.73Å; I134-W136 HydrophobicContact CG2-CE3 4.26Å; I134-W136 HydrophobicContact CG2-CG 4.21Å; I134-W136 HydrophobicContact CG2-CH2 4.23Å; I134-W136 HydrophobicContact CG2-CZ2 3.65Å; I134-W136 HydrophobicContact CG2-CZ3 4.47Å; W136-C262 HydrophobicContact CH2-CB 4.45Å; W136-C262 HydrophobicContact CZ3-CB 3.88Å; W136-M298 HydrophobicContact CH2-CB 4.43Å; W136-M298 HydrophobicContact CH2-CE 3.61Å; W136-M298 HydrophobicContact CZ2-CE 4.14Å; W136-L299 WeakPolarHBondContact CZ3-O 3.32Å; W136-W313 HydrophobicContact CB-CD2 4.29Å; W136-W313 HydrophobicContact CB-CE3 3.75Å; W136-W313 HydrophobicContact CB-CZ3 3.95Å; W136-W313 HydrophobicContact CD2-CB 3.84Å; W136-W313 HydrophobicContact CD2-CD2 4.07Å; W136-W313 HydrophobicContact CD2-CE3 4.4Å; W136-W313 AromaticContact CD2-CG 3.84Å; W136-W313 HydrophobicContact CD2-CG 3.84Å; W136-W313 HydrophobicContact CE3-CB 4.3Å; W136-W313 AromaticContact CE3-CD1 3.89Å; W136-W313 HydrophobicContact CE3-CD2 4.02Å; W136-W313 AromaticContact CE3-CG 3.85Å; W136-W313 HydrophobicContact CE3-CG 3.85Å; W136-W313 HydrophobicContact CG-CB 4.17Å; W136-W313 HydrophobicContact CG-CD2 4.2Å; W136-W313 HydrophobicContact CG-CE3 4.04Å; W136-W313 HydrophobicContact CG-CG 4.3Å; W136-W313 HydrophobicContact CH2-CB 4.4Å; W136-W313 HydrophobicContact CH2-CG 4.38Å; W136-W313 HydrophobicContact CZ2-CB 3.97Å; W136-W313 HydrophobicContact CZ2-CG 4.4Å; W136-W313 WeakPolarHBondContact CZ2-O 3.44Å; W136-W313 AromaticContact CZ3-CD1 3.79Å; W136-W313 HydrophobicContact CZ3-CG 4.14Å; W136-W313 WeakPolarHBondContact O-CH2 3.12Å; W136-W313 WeakPolarHBondContact O-CZ3 3.14Å; W136-E316 HydrophobicContact CH2-CB 4.04Å; W136-E316 HydrophobicContact CZ2-CB 4.2Å; W136-T317 WeakPolarHBondContact CZ2-OG1 3.44Å; W136-T317 PolarHBondContact NE1-OG1 3.5Å
137A98.8Very high98.5Very high11 Ų1132.4 Ų32.49%0.09116%0.159CC..THydrogen-bonded Turntrans-87.5-13.7170.900000113.5V20 I36 S114 N135 L140V20-A137 HydrophobicContact CG2-CB 3.93Å; I36-A137 HydrophobicContact CD1-CB 3.94Å; I36-A137 HydrophobicContact CG2-CB 4.45Å; S114-A137 WeakPolarHBondContact CB-O 3.45Å; S114-A137 PolarHBondContact OG-O 2.85Å; N135-A137 PolarHBondContact O-N 3.06Å; N135-A137 WeakPolarHBondContact OD1-CB 3.44Å; N135-A137 PolarHBondContact OD1-N 3.18Å; N135-A137 VanDerWaalsContact OD1-N 3.1Å; A137-L140 WeakPolarHBondContact O-CD1 3.34Å
138G98.7Very high98.6Very high1 Ų129.6 Ų29.61%0.0115%0.147CC..  trans-88-168.4174.300000113.2N135 D156 G300 G301N135-G138 PolarHBondContact ND2-N 2.96Å; N135-G138 PolarHBondContact O-N 2.88Å; N135-G138 VanDerWaalsContact O-N 3.13Å; N135-G138 PolarHBondContact OD1-N 3.24Å; G138-D156 WeakPolarHBondContact CA-OD2 3.3Å; G138-G300 CarbonylContact O-C 3.59Å; G138-G300 VanDerWaalsContact O-CA 3.26Å; G138-G300 WeakPolarHBondContact O-CA 3.17Å; G138-G300 PolarHBondContact O-N 2.89Å; G138-G301 PolarHBondContact O-N 3.02Å
139G98.7Very high98.6Very high1 Ų122 Ų221%0.0111%0.113CC..  trans94.522.2178.800000114.3H141 D156 Q261G139-H141 PolarHBondContact O-N 2.8Å; G139-D156 VanDerWaalsContact N-CG 3.33Å; G139-D156 PolarHBondContact N-OD1 3.15Å; G139-D156 PolarHBondContact N-OD2 3.49Å; G139-Q261 PolarHBondContact O-NE2 2.66Å
140L98.8Very high98.6Very high14 Ų1419.4 Ų19.47%0.07310%0.104CC..  trans-81.563.6-174.3-79.768.1000111.3F110 S114 A137 H142 A143 C152 D156F110-L140 HydrophobicContact CE1-CD2 4.15Å; S114-L140 WeakPolarHBondContact OG-CD1 3.35Å; A137-L140 WeakPolarHBondContact O-CD1 3.34Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 3.46Å; L140-A143 PolarHBondContact O-N 3.43Å; L140-C152 VanDerWaalsContact C-SG 3.52Å; L140-C152 VanDerWaalsContact CA-SG 3.5Å; L140-C152 HydrophobicContact CB-CB 3.86Å; L140-C152 HydrophobicContact CG-CB 4.39Å; L140-D156 PolarHBondContact N-OD1 3.5Å
141H98.8Very high98.6Very high4 Ų420.1 Ų20.12%0.01911%0.107CC..THydrogen-bonded Turntrans-65.3-19.8-165.663.7174.2000116.6G139 N155 I157 D175 D177 G181 G183 V184G139-H141 PolarHBondContact O-N 2.8Å; H141-N155 PolarHBondContact O-ND2 3.17Å; H141-I157 HydrophobicContact CB-CD1 3.59Å; H141-D175 IonicContact CE1-OD1 3.62Å; H141-D175 IonicContact CE1-OD2 2.75Å; H141-D175 IonicContact CG-OD2 3.58Å; H141-D175 IonicContact ND1-OD1 2.68Å; H141-D175 IonicContact ND1-OD2 3.24Å; H141-D175 PolarHBondContact ND1-OD2 2.88Å; H141-D177 VanDerWaalsContact CE1-CB 3.45Å; H141-D177 WeakPolarHBondContact CE1-CB 3.33Å; H141-D177 IonicContact CE1-OD1 2.8Å; H141-D177 IonicContact CE1-OD2 2.9Å; H141-D177 IonicContact NE2-OD1 3.62Å; H141-D177 IonicContact NE2-OD2 2.89Å; H141-G181 WeakPolarHBondContact ND1-CA 3.21Å; H141-G183 WeakPolarHBondContact O-CA 3.41Å; H141-G183 PolarHBondContact O-N 2.96Å; H141-G183 VanDerWaalsContact O-N 3.08Å; H141-V184 HydrophobicContact CB-CG2 3.96Å; H141-V184 PolarHBondContact O-N 2.7Å
142H98.9Very high98.6Very high6 Ų617 Ų173%0.0289%0.091CC..THydrogen-bonded Turntrans-82.9-19.3-176.1-68.7-47000114.2L140 K144 S149 C152 H179 H180 D182 F206L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 3.46Å; H142-K144 PolarHBondContact O-N 2.88Å; H142-S149 VanDerWaalsContact CB-O 3.28Å; H142-S149 WeakPolarHBondContact CB-O 3.39Å; H142-S149 WeakPolarHBondContact O-CB 3.43Å; H142-C152 HydrophobicContact CB-CB 4.06Å; H142-H179 WeakPolarHBondContact NE2-CB 3.47Å; H142-H179 AromaticContact NE2-CG 3.9Å; H142-H180 PolarHBondContact CE1-O 2.93Å; H142-D182 IonicContact CE1-OD1 3.19Å; H142-D182 IonicContact CG-OD1 3.13Å; H142-D182 IonicContact ND1-OD1 3.7Å; H142-D182 PolarHBondContact ND1-OD1 3.3Å; H142-F206 AromaticContact CD2-CE1 3.68Å; H142-F206 AromaticContact CE1-CE1 3.65Å; H142-F206 AromaticContact CG-CE1 3.9Å; H142-F206 AromaticContact ND1-CE1 3.87Å; H142-F206 AromaticContact NE2-CD1 3.84Å; H142-F206 AromaticContact NE2-CE1 3.48Å; H142-F206 WeakPolarHBondContact NE2-CE1 3.47Å
143A98.8Very high98.6Very high0 Ų017 Ų170%09%0.091CC..  trans-61.5131.1-17600000111.2L140 C152 N155L140-A143 PolarHBondContact O-N 3.43Å; A143-C152 HydrophobicContact CB-CB 3.75Å; A143-N155 HydrophobicContact CB-CB 3.82Å; A143-N155 WeakPolarHBondContact O-CB 3.26Å; A143-N155 PolarHBondContact O-ND2 3.33Å
144K98.6Very high98.6Very high17 Ų1717.2 Ų17.27%0.0749%0.092CC..  trans-99.3172.7-175.9-56.1-59.5-174.5159.90111H69 H142 S146 E147 D182 E186H69-K144 PolarHBondContact CE1-O 3.24Å; H69-K144 PolarHBondContact ND1-O 2.93Å; H142-K144 PolarHBondContact O-N 2.88Å; K144-S146 PolarHBondContact O-N 3.38Å; K144-E147 HydrophobicContact CB-CG 3.63Å; K144-E147 HydrophobicContact CG-CG 3.85Å; K144-E147 PolarHBondContact N-O 2.84Å; K144-D182 WeakPolarHBondContact CE-OD2 3.15Å; K144-D182 VanDerWaalsContact NZ-CG 3.3Å; K144-D182 PolarHBondContact NZ-O 3.48Å; K144-D182 IonicContact NZ-OD1 3.5Å; K144-D182 IonicContact NZ-OD2 3.38Å; K144-D182 PolarHBondContact NZ-OD2 3.25Å; K144-E186 WeakPolarHBondContact CD-OE2 3.23Å; K144-E186 WeakPolarHBondContact CE-OE2 3.47Å; K144-E186 IonicContact NZ-OE2 3.8Å; K144-E186 PolarHBondContact NZ-OE2 3.18Å
145K98.6Very high98.6Very high109 Ų10917.2 Ų17.247%0.4749%0.092SC..SBendtrans-57.2-35.9-179.5179.6157.8-176.9156.50113.4Y68 H69 S70Y68-K145 HydrophobicContact CE1-CB 4.34Å; Y68-K145 HydrophobicContact CE2-CB 4.07Å; Y68-K145 HydrophobicContact CE2-CD 4.47Å; Y68-K145 WeakPolarHBondContact O-CE 3.37Å; Y68-K145 WeakPolarHBondContact O-CG 3.27Å; Y68-K145 PolarHBondContact OH-N 3.16Å; H69-K145 CarbonylContact C-O 3.51Å; H69-K145 WeakPolarHBondContact CA-O 3.47Å; H69-K145 PolarHBondContact ND1-O 3.38Å; S70-K145 PolarHBondContact N-O 3.33Å
146S98.5Very high98.6Very high43 Ų4317.1 Ų17.130%0.3019%0.091SC..SBendtrans-138.920.1-173.8-62.60000114S70 F95 K144S70-S146 VanDerWaalsContact CB-OG 3.28Å; S70-S146 WeakPolarHBondContact CB-OG 3.38Å; S70-S146 PolarHBondContact OG-OG 2.83Å; F95-S146 WeakPolarHBondContact CD1-O 3.48Å; K144-S146 PolarHBondContact O-N 3.38Å
147E98Very high98.6Very high85 Ų8517 Ų1740%0.3979%0.091SC..SBendtrans-156.3153.2175.460.4-174148.100111.6F95 N96 K144F95-E147 WeakPolarHBondContact O-CA 3.38Å; N96-E147 HydrophobicContact CB-CB 4.19Å; K144-E147 HydrophobicContact CB-CG 3.63Å; K144-E147 HydrophobicContact CG-CG 3.85Å; K144-E147 PolarHBondContact N-O 2.84Å
148A98.7Very high98.6Very high0 Ų016.6 Ų16.60%09%0.087CC..  trans-78.9154.5169.500000110.1Y73 F95 N96 V97 C101 C152 Y153Y73-A148 WeakPolarHBondContact OH-CA 3.35Å; Y73-A148 WeakPolarHBondContact OH-CB 3.29Å; Y73-A148 PolarHBondContact OH-N 3.21Å; Y73-A148 VanDerWaalsContact OH-N 3.14Å; F95-A148 PolarHBondContact O-N 2.93Å; N96-A148 WeakPolarHBondContact CB-O 3.42Å; N96-A148 PolarHBondContact ND2-O 3.18Å; V97-A148 HydrophobicContact CG2-CB 3.64Å; C101-A148 HydrophobicContact CB-CB 3.82Å; A148-C152 CarbonylContact C-O 3.58Å; A148-C152 VanDerWaalsContact CA-O 3.25Å; A148-C152 WeakPolarHBondContact CA-O 3.35Å; A148-C152 WeakPolarHBondContact CB-O 3.49Å; A148-Y153 HydrophobicContact CB-CD1 3.71Å; A148-Y153 HydrophobicContact CB-CE1 4.23Å; A148-Y153 HydrophobicContact CB-CG 4.43Å
149S98.6Very high98.6Very high18 Ų1816.9 Ų16.913%0.1269%0.088CC..BIsolated β-bridgetrans-160.4146.1175.6-1700000109.8H142 F151 C152 F206H142-S149 VanDerWaalsContact CB-O 3.28Å; H142-S149 WeakPolarHBondContact CB-O 3.39Å; H142-S149 WeakPolarHBondContact O-CB 3.43Å; S149-F151 PolarHBondContact O-N 3.28Å; S149-C152 PolarHBondContact N-O 2.8Å; S149-C152 WeakPolarHBondContact O-CA 3.28Å; S149-C152 VanDerWaalsContact O-CB 3.24Å; S149-C152 WeakPolarHBondContact O-CB 3.38Å; S149-C152 PolarHBondContact O-N 2.67Å; S149-F206 WeakPolarHBondContact OG-CZ 3.41Å
150G97.1Very high98.6Very high12 Ų1216.8 Ų16.812%0.1249%0.088CC..THydrogen-bonded Turntrans49.151.9172.800000114.5C152G150-C152 PolarHBondContact O-N 2.76Å; G150-C152 VanDerWaalsContact O-N 3.1Å; G150-C152 PolarHBondContact O-SG 2.82Å
151F98.3Very high98.7Very high25 Ų2516.1 Ų16.111%0.118%0.084CC..THydrogen-bonded Turntrans66.40.8-176.4-38.6-47.9000116.1Y25 H29 P30 M31 D100 C101 S149 L272 Y304Y25-F151 HydrophobicContact CE1-CB 3.97Å; Y25-F151 WeakPolarHBondContact CE1-O 3.37Å; Y25-F151 PolarHBondContact OH-O 3.08Å; H29-F151 AromaticContact CE1-CD1 3.25Å; H29-F151 WeakPolarHBondContact CE1-CD1 3.18Å; H29-F151 AromaticContact CE1-CE1 3.59Å; H29-F151 AromaticContact CE1-CG 3.88Å; H29-F151 AromaticContact NE2-CD1 3.28Å; H29-F151 VanDerWaalsContact NE2-CD1 3.28Å; H29-F151 WeakPolarHBondContact NE2-CD1 3.26Å; H29-F151 AromaticContact NE2-CE1 3.43Å; H29-F151 WeakPolarHBondContact NE2-CE1 3.26Å; P30-F151 HydrophobicContact CG-CE1 4.11Å; P30-F151 HydrophobicContact CG-CE2 4.06Å; P30-F151 HydrophobicContact CG-CZ 3.56Å; M31-F151 HydrophobicContact CB-CB 4.33Å; M31-F151 HydrophobicContact CB-CD2 4.45Å; M31-F151 HydrophobicContact CB-CG 4.28Å; M31-F151 HydrophobicContact CE-CB 4.32Å; M31-F151 HydrophobicContact CE-CD2 4.39Å; D100-F151 HydrophobicContact CB-CE1 4.44Å; D100-F151 WeakPolarHBondContact O-CD1 3.48Å; C101-F151 PolarHBondContact SG-N 3.44Å; C101-F151 VanDerWaalsContact SG-N 3.43Å; S149-F151 PolarHBondContact O-N 3.28Å; F151-L272 HydrophobicContact CE2-CD1 4.05Å; F151-L272 HydrophobicContact CZ-CD1 4.26Å; F151-Y304 AromaticContact CD2-CE1 3.92Å; F151-Y304 HydrophobicContact CD2-CE1 3.92Å; F151-Y304 WeakPolarHBondContact CD2-OH 3.39Å; F151-Y304 AromaticContact CE2-CE1 3.77Å; F151-Y304 HydrophobicContact CE2-CE1 3.77Å; F151-Y304 AromaticContact CE2-CZ 3.79Å; F151-Y304 WeakPolarHBondContact CE2-OH 3.42Å
152C98.8Very high98.6Very high8 Ų818.7 Ų18.75%0.05410%0.098CC..BIsolated β-bridgetrans-106.2128.8-173.7-57.40000111.4L140 H142 A143 A148 S149 G150L140-C152 VanDerWaalsContact C-SG 3.52Å; L140-C152 VanDerWaalsContact CA-SG 3.5Å; L140-C152 HydrophobicContact CB-CB 3.86Å; L140-C152 HydrophobicContact CG-CB 4.39Å; H142-C152 HydrophobicContact CB-CB 4.06Å; A143-C152 HydrophobicContact CB-CB 3.75Å; A148-C152 CarbonylContact C-O 3.58Å; A148-C152 VanDerWaalsContact CA-O 3.25Å; A148-C152 WeakPolarHBondContact CA-O 3.35Å; A148-C152 WeakPolarHBondContact CB-O 3.49Å; S149-C152 PolarHBondContact N-O 2.8Å; S149-C152 WeakPolarHBondContact O-CA 3.28Å; S149-C152 VanDerWaalsContact O-CB 3.24Å; S149-C152 WeakPolarHBondContact O-CB 3.38Å; S149-C152 PolarHBondContact O-N 2.67Å; G150-C152 PolarHBondContact O-N 2.76Å; G150-C152 VanDerWaalsContact O-N 3.1Å; G150-C152 PolarHBondContact O-SG 2.82Å
153Y98.8Very high98.6Very high0 Ų018.5 Ų18.50%010%0.097CC..SBendtrans-108.8-46.6179.8-50.5-89.4000112.4Y25 Y73 L77 V97 C101 P102 F104 L107 A148Y25-Y153 AromaticContact CE1-CE2 3.81Å; Y25-Y153 HydrophobicContact CE1-CE2 3.81Å; Y25-Y153 AromaticContact CZ-CE2 3.91Å; Y73-Y153 VanDerWaalsContact CE1-O 3.29Å; Y73-Y153 WeakPolarHBondContact CE1-O 3.46Å; Y73-Y153 PolarHBondContact OH-O 2.95Å; L77-Y153 HydrophobicContact CD2-CD1 4.32Å; V97-Y153 HydrophobicContact CG2-CD1 4.07Å; V97-Y153 HydrophobicContact CG2-CE1 4.15Å; C101-Y153 WeakPolarHBondContact CA-OH 3.29Å; C101-Y153 HydrophobicContact CB-CD1 4.43Å; C101-Y153 HydrophobicContact CB-CE1 3.64Å; P102-Y153 WeakPolarHBondContact CD-OH 3.42Å; P102-Y153 PolarHBondContact O-OH 3.39Å; F104-Y153 HydrophobicContact CE1-CE2 4.07Å; L107-Y153 HydrophobicContact CD1-CD1 4.25Å; L107-Y153 HydrophobicContact CD1-CE1 3.76Å; L107-Y153 HydrophobicContact CD1-CE2 4.37Å; L107-Y153 HydrophobicContact CD2-CD1 4.4Å; L107-Y153 HydrophobicContact CD2-CG 4.49Å; L107-Y153 HydrophobicContact CG-CE1 4.48Å; L107-Y153 HydrophobicContact CG-CE2 4.5Å; A148-Y153 HydrophobicContact CB-CD1 3.71Å; A148-Y153 HydrophobicContact CB-CE1 4.23Å; A148-Y153 HydrophobicContact CB-CG 4.43Å
154V98.9Very high98.6Very high3 Ų318.5 Ų18.52%0.01810%0.097CC..SBendtrans-116.6131.7177174.10000108.2M65 I74 L77 C111 A115 D156 L159M65-V154 HydrophobicContact CE-CG1 4.49Å; M65-V154 HydrophobicContact CE-CG2 4.39Å; M65-V154 HydrophobicContact CG-CG1 4.13Å; M65-V154 HydrophobicContact SD-CG1 4.38Å; M65-V154 HydrophobicContact SD-CG2 3.97Å; I74-V154 HydrophobicContact CD1-CG2 4.2Å; L77-V154 HydrophobicContact CD1-CG2 3.86Å; C111-V154 HydrophobicContact CB-CB 4.16Å; C111-V154 HydrophobicContact CB-CG2 3.79Å; A115-V154 HydrophobicContact CB-CG1 4.11Å; V154-D156 PolarHBondContact O-N 2.88Å; V154-L159 HydrophobicContact CG1-CD1 3.85Å
155N98.9Very high98.6Very high0 Ų018.8 Ų18.80%010%0.099CC..  trans-87.884-179.2-160-46.9000109.4Y68 H69 H141 A143 I157 V158 L159Y68-N155 HydrophobicContact CD1-CB 4.39Å; Y68-N155 HydrophobicContact CE1-CB 4.16Å; H69-N155 PolarHBondContact CE1-N 3.28Å; H69-N155 PolarHBondContact NE2-N 3.35Å; H141-N155 PolarHBondContact O-ND2 3.17Å; A143-N155 HydrophobicContact CB-CB 3.82Å; A143-N155 WeakPolarHBondContact O-CB 3.26Å; A143-N155 PolarHBondContact O-ND2 3.33Å; N155-I157 PolarHBondContact O-N 3.36Å; N155-I157 WeakPolarHBondContact OD1-CB 3.21Å; N155-I157 PolarHBondContact OD1-N 2.96Å; N155-V158 HydrophobicContact CB-CB 4.21Å; N155-V158 HydrophobicContact CB-CG2 4.19Å; N155-V158 PolarHBondContact O-N 2.92Å; N155-V158 WeakPolarHBondContact OD1-CG2 3.21Å; N155-V158 PolarHBondContact OD1-N 2.96Å; N155-L159 WeakPolarHBondContact O-CG 3.38Å; N155-L159 PolarHBondContact O-N 2.84Å
156D98.9Very high98.6Very high1 Ų115.1 Ų15.11%0.0058%0.083CC..Hα-helixtrans-57.3-31.2179.470.5-69.7000112.4A115 S118 G138 G139 L140 V154 L159 A160A115-D156 HydrophobicContact CB-CB 4.32Å; S118-D156 WeakPolarHBondContact CB-OD2 3.25Å; S118-D156 PolarHBondContact OG-OD2 2.89Å; G138-D156 WeakPolarHBondContact CA-OD2 3.3Å; G139-D156 VanDerWaalsContact N-CG 3.33Å; G139-D156 PolarHBondContact N-OD1 3.15Å; G139-D156 PolarHBondContact N-OD2 3.49Å; L140-D156 PolarHBondContact N-OD1 3.5Å; V154-D156 PolarHBondContact O-N 2.88Å; D156-L159 PolarHBondContact O-N 3.43Å; D156-A160 WeakPolarHBondContact O-CB 3.28Å; D156-A160 PolarHBondContact O-N 3.06Å
157I98.9Very high98.6Very high0 Ų018 Ų180%09%0.088CC..Hα-helixtrans-66.3-49.6179.5-40.7-172000110.9H141 N155 L159 A160 I161 Y173 V184 V259 Q261 L299H141-I157 HydrophobicContact CB-CD1 3.59Å; N155-I157 PolarHBondContact O-N 3.36Å; N155-I157 WeakPolarHBondContact OD1-CB 3.21Å; N155-I157 PolarHBondContact OD1-N 2.96Å; I157-L159 VanDerWaalsContact C-N 3.3Å; I157-L159 PolarHBondContact O-N 2.8Å; I157-A160 PolarHBondContact O-N 3.08Å; I157-I161 HydrophobicContact CG2-CD1 3.88Å; I157-I161 HydrophobicContact CG2-CG1 4.48Å; I157-I161 VanDerWaalsContact O-CG1 3.31Å; I157-I161 WeakPolarHBondContact O-CG1 3.4Å; I157-I161 PolarHBondContact O-N 3.09Å; I157-Y173 HydrophobicContact CD1-CE2 4.01Å; I157-Y173 WeakPolarHBondContact CD1-OH 3.44Å; I157-Y173 HydrophobicContact CG2-CD2 3.77Å; I157-Y173 HydrophobicContact CG2-CE2 3.4Å; I157-Y173 VanDerWaalsContact CG2-CE2 3.4Å; I157-V184 HydrophobicContact CB-CG2 3.93Å; I157-V184 HydrophobicContact CD1-CG2 3.89Å; I157-V184 HydrophobicContact CG1-CG2 4.39Å; I157-V184 HydrophobicContact CG2-CG1 4.35Å; I157-V184 HydrophobicContact CG2-CG2 4.01Å; I157-V259 HydrophobicContact CG2-CG1 3.94Å; I157-Q261 HydrophobicContact CD1-CB 4.4Å; I157-Q261 HydrophobicContact CD1-CG 3.93Å; I157-L299 HydrophobicContact CB-CD1 4.21Å; I157-L299 HydrophobicContact CD1-CD1 4.41Å; I157-L299 HydrophobicContact CG1-CD1 3.8Å; I157-L299 HydrophobicContact CG2-CD1 4.08Å
158V98.9Very high98.5Very high1 Ų115.1 Ų15.11%0.0068%0.075CC..Hα-helixtrans-61.9-40.7178.6172.70000110.6Y68 N155 I161 L162 V184 A187 F188Y68-V158 HydrophobicContact CD1-CB 4.17Å; Y68-V158 HydrophobicContact CD1-CG1 3.8Å; Y68-V158 HydrophobicContact CD2-CG1 3.57Å; Y68-V158 HydrophobicContact CE1-CB 4.41Å; Y68-V158 HydrophobicContact CE1-CG1 4.2Å; Y68-V158 HydrophobicContact CE1-CG2 4.49Å; Y68-V158 HydrophobicContact CE2-CG1 3.98Å; Y68-V158 HydrophobicContact CG-CB 4.32Å; Y68-V158 HydrophobicContact CG-CG1 3.47Å; Y68-V158 VanDerWaalsContact CG-CG1 3.47Å; N155-V158 HydrophobicContact CB-CB 4.21Å; N155-V158 HydrophobicContact CB-CG2 4.19Å; N155-V158 PolarHBondContact O-N 2.92Å; N155-V158 WeakPolarHBondContact OD1-CG2 3.21Å; N155-V158 PolarHBondContact OD1-N 2.96Å; V158-I161 PolarHBondContact O-N 3.28Å; V158-L162 HydrophobicContact CG1-CD1 4.12Å; V158-L162 HydrophobicContact CG1-CG 4.45Å; V158-L162 WeakPolarHBondContact O-CB 3.48Å; V158-L162 VanDerWaalsContact O-CG 3.27Å; V158-L162 WeakPolarHBondContact O-CG 3.45Å; V158-L162 PolarHBondContact O-N 3.49Å; V158-V184 HydrophobicContact CG2-CB 4.45Å; V158-V184 HydrophobicContact CG2-CG1 4.38Å; V158-V184 HydrophobicContact CG2-CG2 4.34Å; V158-A187 HydrophobicContact CB-CB 4.41Å; V158-A187 HydrophobicContact CG1-CB 3.89Å; V158-A187 HydrophobicContact CG2-CB 3.54Å; V158-F188 HydrophobicContact CB-CE2 4.34Å; V158-F188 HydrophobicContact CB-CZ 4.49Å; V158-F188 HydrophobicContact CG1-CE2 4.15Å; V158-F188 HydrophobicContact CG1-CZ 3.92Å; V158-F188 HydrophobicContact CG2-CE2 3.99Å
159L98.9Very high98.3Very high7 Ų718 Ų184%0.0379%0.088CC..Hα-helixtrans-63-44.2175.5-63175.6000112E64 M65 K67 A115 V119 V154 N155 D156 I157 L162 E163E64-L159 WeakPolarHBondContact O-CD2 3.34Å; M65-L159 HydrophobicContact CG-CD1 4.4Å; K67-L159 HydrophobicContact CB-CD2 4.25Å; A115-L159 HydrophobicContact CB-CD1 4.24Å; V119-L159 HydrophobicContact CG2-CB 3.84Å; V154-L159 HydrophobicContact CG1-CD1 3.85Å; N155-L159 WeakPolarHBondContact O-CG 3.38Å; N155-L159 PolarHBondContact O-N 2.84Å; D156-L159 PolarHBondContact O-N 3.43Å; I157-L159 VanDerWaalsContact C-N 3.3Å; I157-L159 PolarHBondContact O-N 2.8Å; L159-L162 PolarHBondContact O-N 3.18Å; L159-E163 PolarHBondContact O-N 3.06Å
160A98.9Very high98.3Very high0 Ų019.3 Ų19.30%09%0.09CC..Hα-helixtrans-65.4-39.5176.200000112.7A122 D156 I157 E163 L164 L297A122-A160 HydrophobicContact CB-CB 4.14Å; A122-A160 WeakPolarHBondContact CB-O 3.38Å; D156-A160 WeakPolarHBondContact O-CB 3.28Å; D156-A160 PolarHBondContact O-N 3.06Å; I157-A160 PolarHBondContact O-N 3.08Å; A160-E163 WeakPolarHBondContact O-CB 3.13Å; A160-E163 PolarHBondContact O-N 3.49Å; A160-L164 WeakPolarHBondContact O-CG 3.45Å; A160-L164 PolarHBondContact O-N 2.58Å; A160-L297 HydrophobicContact CB-CD2 3.63Å
161I98.9Very high98.4Very high0 Ų018.8 Ų18.80%09%0.085CC..Hα-helixtrans-66.5-41.8175.5-68.2167.8000110.9I157 V158 E163 L164 L165 V171 Y173 V184 F188 V194 V259I157-I161 HydrophobicContact CG2-CD1 3.88Å; I157-I161 HydrophobicContact CG2-CG1 4.48Å; I157-I161 VanDerWaalsContact O-CG1 3.31Å; I157-I161 WeakPolarHBondContact O-CG1 3.4Å; I157-I161 PolarHBondContact O-N 3.09Å; V158-I161 PolarHBondContact O-N 3.28Å; I161-E163 PolarHBondContact O-N 3.49Å; I161-L164 PolarHBondContact O-N 2.85Å; I161-L165 HydrophobicContact CG2-CD1 3.99Å; I161-L165 HydrophobicContact CG2-CG 4.23Å; I161-L165 WeakPolarHBondContact O-CB 3.27Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 2.81Å; I161-V171 HydrophobicContact CG1-CG1 4.27Å; I161-V171 HydrophobicContact CG2-CB 4.32Å; I161-V171 HydrophobicContact CG2-CG1 4.18Å; I161-Y173 HydrophobicContact CD1-CD2 4.11Å; I161-Y173 HydrophobicContact CD1-CG 4.28Å; I161-V184 HydrophobicContact CD1-CG1 3.91Å; I161-F188 HydrophobicContact CB-CE2 3.92Å; I161-F188 HydrophobicContact CB-CZ 3.79Å; I161-F188 HydrophobicContact CD1-CD2 4.5Å; I161-F188 HydrophobicContact CD1-CE2 3.83Å; I161-F188 HydrophobicContact CG1-CE2 4.49Å; I161-F188 HydrophobicContact CG2-CE1 4.06Å; I161-F188 HydrophobicContact CG2-CE2 3.67Å; I161-F188 HydrophobicContact CG2-CZ 3.4Å; I161-F188 VanDerWaalsContact CG2-CZ 3.4Å; I161-V194 HydrophobicContact CG2-CG1 4.16Å; I161-V194 HydrophobicContact CG2-CG2 3.58Å; I161-V259 HydrophobicContact CG1-CB 4.42Å; I161-V259 HydrophobicContact CG1-CG2 3.8Å
162L98.8Very high98.4Very high57 Ų5717.6 Ų17.630%0.2988%0.079SC..Hα-helixtrans-59.9-35.2173.9-74.2171.5000112.2V158 L159 L165 F188V158-L162 HydrophobicContact CG1-CD1 4.12Å; V158-L162 HydrophobicContact CG1-CG 4.45Å; V158-L162 WeakPolarHBondContact O-CB 3.48Å; V158-L162 VanDerWaalsContact O-CG 3.27Å; V158-L162 WeakPolarHBondContact O-CG 3.45Å; V158-L162 PolarHBondContact O-N 3.49Å; L159-L162 PolarHBondContact O-N 3.18Å; L162-L165 HydrophobicContact CD2-CD1 4.43Å; L162-F188 HydrophobicContact CD2-CE1 4.25Å; L162-F188 HydrophobicContact CG-CZ 4.41Å
163E98.8Very high98.4Very high2 Ų217.3 Ų17.31%0.0098%0.077CC..Hα-helixtrans-69-47.7173.9-164.361.3-155.900111.5K67 A122 V123 N126 L159 A160 I161 L165 K166 D388 A389K67-E163 IonicContact NZ-OE2 2.69Å; A122-E163 HydrophobicContact CB-CB 3.86Å; A122-E163 HydrophobicContact CB-CG 4.02Å; V123-E163 HydrophobicContact CG2-CG 3.77Å; N126-E163 PolarHBondContact ND2-O 2.96Å; L159-E163 PolarHBondContact O-N 3.06Å; A160-E163 WeakPolarHBondContact O-CB 3.13Å; A160-E163 PolarHBondContact O-N 3.49Å; I161-E163 PolarHBondContact O-N 3.49Å; E163-L165 VanDerWaalsContact C-N 3.27Å; E163-L165 PolarHBondContact O-N 3.22Å; E163-K166 WeakPolarHBondContact O-CB 3.49Å; E163-K166 WeakPolarHBondContact O-CG 3.47Å; E163-K166 PolarHBondContact O-N 3.07Å; E163-K166 IonicContact OE1-NZ 2.8Å; E163-K166 PolarHBondContact OE1-NZ 2.88Å; E163-K166 WeakPolarHBondContact OE2-CE 3.42Å; E163-K166 IonicContact OE2-NZ 2.7Å; E163-K166 PolarHBondContact OE2-NZ 3.08Å; E163-D388 WeakPolarHBondContact OE1-CA 3.36Å; E163-A389 VanDerWaalsContact CD-CB 3.49Å; E163-A389 HydrophobicContact CG-CB 4.39Å; E163-A389 PolarHBondContact OE1-N 2.91Å; E163-A389 VanDerWaalsContact OE2-CB 3.23Å; E163-A389 WeakPolarHBondContact OE2-CB 3.37Å
164L98.8Very high98.4Very high0 Ų017.3 Ų17.30%08%0.077CC..Hα-helixtrans-58.6-37.8175.1-70172.1000112.3A122 L125 N126 A160 I161 K166 Y167 H168 V171 A257 V259A122-L164 HydrophobicContact CB-CD2 4.16Å; A122-L164 HydrophobicContact CB-CG 3.99Å; L125-L164 HydrophobicContact CB-CD2 4.09Å; L125-L164 HydrophobicContact CD1-CD2 4.41Å; N126-L164 WeakPolarHBondContact OD1-CA 3.32Å; A160-L164 WeakPolarHBondContact O-CG 3.45Å; A160-L164 PolarHBondContact O-N 2.58Å; I161-L164 PolarHBondContact O-N 2.85Å; L164-K166 PolarHBondContact O-N 3.23Å; L164-Y167 PolarHBondContact O-N 2.91Å; L164-Y167 VanDerWaalsContact O-N 3.1Å; L164-H168 WeakPolarHBondContact O-CB 3.45Å; L164-H168 PolarHBondContact O-CD2 2.9Å; L164-H168 PolarHBondContact O-N 3.09Å; L164-V171 HydrophobicContact CB-CG2 3.8Å; L164-V171 HydrophobicContact CD1-CG1 4.08Å; L164-A257 HydrophobicContact CD1-CB 4.37Å; L164-A257 HydrophobicContact CD2-CB 4.37Å; L164-V259 HydrophobicContact CD1-CG2 3.51Å
165L98.4Very high98.4Very high23 Ų2317.1 Ų17.112%0.128%0.076CC..THydrogen-bonded Turntrans-63.4-7.2179.2-76.8170.6000114.6I161 L162 E163 V171 F188 R193 V194I161-L165 HydrophobicContact CG2-CD1 3.99Å; I161-L165 HydrophobicContact CG2-CG 4.23Å; I161-L165 WeakPolarHBondContact O-CB 3.27Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 2.81Å; L162-L165 HydrophobicContact CD2-CD1 4.43Å; E163-L165 VanDerWaalsContact C-N 3.27Å; E163-L165 PolarHBondContact O-N 3.22Å; L165-V171 HydrophobicContact CD2-CG2 3.96Å; L165-V171 HydrophobicContact CG-CG2 4.12Å; L165-F188 HydrophobicContact CD1-CE1 4.1Å; L165-R193 HydrophobicContact CD2-CB 3.82Å; L165-R193 PolarHBondContact O-NH1 3.21Å; L165-R193 PolarHBondContact O-NH2 3.27Å; L165-V194 HydrophobicContact CD1-CG2 3.74Å; L165-V194 HydrophobicContact CD2-CG2 4.04Å; L165-V194 HydrophobicContact CG-CG2 4.25Å
166K97.8Very high98.5Very high33 Ų3317.1 Ų17.114%0.1438%0.076CC..THydrogen-bonded Turntrans-70.8-35.4170.5-64179.5-176.31690112.8E163 L164 I385 E387 D388E163-K166 WeakPolarHBondContact O-CB 3.49Å; E163-K166 WeakPolarHBondContact O-CG 3.47Å; E163-K166 PolarHBondContact O-N 3.07Å; E163-K166 IonicContact OE1-NZ 2.8Å; E163-K166 PolarHBondContact OE1-NZ 2.88Å; E163-K166 WeakPolarHBondContact OE2-CE 3.42Å; E163-K166 IonicContact OE2-NZ 2.7Å; E163-K166 PolarHBondContact OE2-NZ 3.08Å; L164-K166 PolarHBondContact O-N 3.23Å; K166-I385 HydrophobicContact CB-CG2 4.14Å; K166-E387 PolarHBondContact NZ-O 2.99Å; K166-D388 VanDerWaalsContact NZ-CA 3.31Å
167Y97.6Very high98.4Very high103 Ų10317.1 Ų17.140%0.4048%0.076SC..THydrogen-bonded Turntrans-113.7-28.9-176.2-62.8-97.6000112.4N126 L164 I385 D388N126-Y167 HydrophobicContact CB-CD2 3.56Å; N126-Y167 HydrophobicContact CB-CE2 3.89Å; N126-Y167 HydrophobicContact CB-CG 4.11Å; N126-Y167 WeakPolarHBondContact ND2-CD2 3.14Å; L164-Y167 PolarHBondContact O-N 2.91Å; L164-Y167 VanDerWaalsContact O-N 3.1Å; Y167-I385 HydrophobicContact CD1-CD1 4.15Å; Y167-I385 HydrophobicContact CE1-CD1 4.05Å; Y167-I385 HydrophobicContact CE1-CG2 4.1Å; Y167-I385 HydrophobicContact CE2-CG2 3.99Å; Y167-D388 WeakPolarHBondContact CE2-OD1 3.38Å; Y167-D388 PolarHBondContact OH-OD1 2.96Å
168H97.3Very high98.4Very high25 Ų2517.1 Ų17.112%0.1168%0.076CC..  trans-98.2114.5-176.8-65.6-72.1000111.7N126 L164 R170 V171 R193 S256 A257N126-H168 PolarHBondContact OD1-CD2 2.72Å; L164-H168 WeakPolarHBondContact O-CB 3.45Å; L164-H168 PolarHBondContact O-CD2 2.9Å; L164-H168 PolarHBondContact O-N 3.09Å; H168-R170 PolarHBondContact O-N 2.72Å; H168-V171 HydrophobicContact CB-CG2 3.84Å; H168-R193 PolarHBondContact O-NH2 2.84Å; H168-S256 WeakPolarHBondContact CB-OG 3.48Å; H168-S256 PolarHBondContact CE1-O 3.42Å; H168-S256 VanDerWaalsContact CE1-O 3.29Å; H168-S256 PolarHBondContact ND1-O 2.61Å; H168-S256 VanDerWaalsContact ND1-O 3.12Å; H168-S256 PolarHBondContact ND1-OG 3Å; H168-A257 HydrophobicContact CB-CB 4.24Å
169Q95.1Very high98.4Very high61 Ų6117.7 Ų17.729%0.2858%0.079SC..SBendtrans-59.6-37.5178.3179.15971.300112.1R193Q169-R193 PolarHBondContact O-NE 3.07Å
170R97.9Very high98.4Very high45 Ų4517.4 Ų17.417%0.178%0.077CC..  trans-133.3123.3178.1-71.1-177-56.2-87.3-1.1109.8H168 R193 Y253 Q254 S256H168-R170 PolarHBondContact O-N 2.72Å; R170-R193 WeakPolarHBondContact CA-O 3.46Å; R170-Y253 HydrophobicContact CB-CE1 4.14Å; R170-Y253 HydrophobicContact CB-CE2 4.16Å; R170-Y253 VanDerWaalsContact CD-O 3.23Å; R170-Y253 WeakPolarHBondContact CD-O 3.48Å; R170-Y253 HydrophobicContact CG-CE2 3.98Å; R170-Y253 PolarHBondContact NE-O 2.97Å; R170-Q254 PolarHBondContact NE-O 3.12Å; R170-Q254 PolarHBondContact NH2-O 3.45Å; R170-S256 PolarHBondContact O-N 2.79Å; R170-S256 PolarHBondContact O-OG 2.94Å
171V98.9Very high98.4Very high0 Ų017.5 Ų17.50%08%0.078CC..EExtended strand (participates in β ladder)trans-108.8136.7171.7-178.30000108.1I161 L164 L165 H168 R193 V194 M195 Y253 V259I161-V171 HydrophobicContact CG1-CG1 4.27Å; I161-V171 HydrophobicContact CG2-CB 4.32Å; I161-V171 HydrophobicContact CG2-CG1 4.18Å; L164-V171 HydrophobicContact CB-CG2 3.8Å; L164-V171 HydrophobicContact CD1-CG1 4.08Å; L165-V171 HydrophobicContact CD2-CG2 3.96Å; L165-V171 HydrophobicContact CG-CG2 4.12Å; H168-V171 HydrophobicContact CB-CG2 3.84Å; V171-R193 PolarHBondContact N-O 3.28Å; V171-V194 WeakPolarHBondContact O-CA 3.34Å; V171-M195 PolarHBondContact O-N 2.93Å; V171-Y253 PolarHBondContact N-OH 3.19Å; V171-Y253 VanDerWaalsContact O-CE1 3.26Å; V171-Y253 WeakPolarHBondContact O-CE1 3.44Å; V171-Y253 PolarHBondContact O-OH 3.06Å; V171-V259 HydrophobicContact CG1-CG2 4.19Å
172L98.9Very high98.4Very high0 Ų018.1 Ų18.10%08%0.082CC..EExtended strand (participates in β ladder)trans-103.8126.3172.9170.863.7000109.1I174 M195 V197 M246 V249 M250 Y253 P255 A257 V258 V259L172-I174 HydrophobicContact CD1-CG1 4.31Å; L172-I174 HydrophobicContact CD2-CD1 3.92Å; L172-I174 HydrophobicContact CD2-CG1 4.02Å; L172-I174 HydrophobicContact CG-CD1 4.23Å; L172-I174 HydrophobicContact CG-CG1 3.81Å; L172-M195 HydrophobicContact CD1-CB 4.12Å; L172-M195 HydrophobicContact CD1-CG 4.08Å; L172-M195 HydrophobicContact CD1-SD 4.4Å; L172-V197 HydrophobicContact CD1-CG2 3.73Å; L172-M246 HydrophobicContact CD2-CE 3.82Å; L172-V249 HydrophobicContact CD1-CG1 3.63Å; L172-V249 HydrophobicContact CD2-CG1 3.79Å; L172-V249 HydrophobicContact CG-CG1 4.39Å; L172-M250 HydrophobicContact CD2-CE 3.58Å; L172-M250 HydrophobicContact CD2-SD 3.91Å; L172-Y253 HydrophobicContact CB-CD1 4.24Å; L172-Y253 HydrophobicContact CB-CE1 4.02Å; L172-Y253 HydrophobicContact CD1-CD1 4.38Å; L172-P255 HydrophobicContact CB-CB 3.58Å; L172-P255 HydrophobicContact CB-CG 3.76Å; L172-P255 HydrophobicContact CD2-CG 3.93Å; L172-P255 HydrophobicContact CG-CG 4.5Å; L172-A257 PolarHBondContact N-O 3.46Å; L172-V258 HydrophobicContact CB-CG2 4.46Å; L172-V258 CarbonylContact O-C 3.58Å; L172-V258 WeakPolarHBondContact O-CA 3.35Å; L172-V259 PolarHBondContact O-N 3.08Å
173Y98.9Very high98.4Very high2 Ų215.4 Ų15.41%0.0087%0.067CC..EExtended strand (participates in β ladder)trans-101.2132.2169178-112.4000109.8I157 I161 D175 V184 M195 T196 V197 V259 Q261I157-Y173 HydrophobicContact CD1-CE2 4.01Å; I157-Y173 WeakPolarHBondContact CD1-OH 3.44Å; I157-Y173 HydrophobicContact CG2-CD2 3.77Å; I157-Y173 HydrophobicContact CG2-CE2 3.4Å; I157-Y173 VanDerWaalsContact CG2-CE2 3.4Å; I161-Y173 HydrophobicContact CD1-CD2 4.11Å; I161-Y173 HydrophobicContact CD1-CG 4.28Å; Y173-D175 HydrophobicContact CE1-CB 3.72Å; Y173-D175 WeakPolarHBondContact CE1-OD2 3.2Å; Y173-D175 VanDerWaalsContact OH-CG 3.29Å; Y173-D175 PolarHBondContact OH-OD2 3.41Å; Y173-V184 HydrophobicContact CD1-CB 4.1Å; Y173-V184 HydrophobicContact CD1-CG1 3.62Å; Y173-V184 HydrophobicContact CD2-CG1 4.22Å; Y173-V184 HydrophobicContact CE1-CB 3.8Å; Y173-V184 HydrophobicContact CE1-CG1 3.8Å; Y173-V184 HydrophobicContact CE1-CG2 4.03Å; Y173-V184 HydrophobicContact CE2-CG1 4.39Å; Y173-V184 HydrophobicContact CE2-CG2 4.46Å; Y173-V184 HydrophobicContact CG-CG1 3.84Å; Y173-M195 PolarHBondContact N-O 3.18Å; Y173-T196 HydrophobicContact CD1-CG2 3.93Å; Y173-V197 PolarHBondContact O-N 3.3Å; Y173-V259 WeakPolarHBondContact CA-O 3.42Å; Y173-V259 HydrophobicContact CD2-CB 4.11Å; Y173-V259 HydrophobicContact CD2-CG1 4.07Å; Y173-V259 HydrophobicContact CE2-CG1 4.34Å; Y173-Q261 HydrophobicContact CE2-CB 3.92Å; Y173-Q261 WeakPolarHBondContact OH-CB 3.19Å
174I98.9Very high98.4Very high0 Ų015.3 Ų15.30%07%0.067CC..EExtended strand (participates in β ladder)trans-128130.6179-47.8170.8000107.7L172 V197 F242 M246 V258 V259 L260 Q261 I289L172-I174 HydrophobicContact CD1-CG1 4.31Å; L172-I174 HydrophobicContact CD2-CD1 3.92Å; L172-I174 HydrophobicContact CD2-CG1 4.02Å; L172-I174 HydrophobicContact CG-CD1 4.23Å; L172-I174 HydrophobicContact CG-CG1 3.81Å; I174-V197 CarbonylContact C-O 3.38Å; I174-V197 WeakPolarHBondContact CA-O 3.39Å; I174-F242 HydrophobicContact CG2-CE2 4.02Å; I174-F242 HydrophobicContact CG2-CZ 4.23Å; I174-M246 HydrophobicContact CD1-CE 3.56Å; I174-M246 HydrophobicContact CG1-CE 3.76Å; I174-M246 HydrophobicContact CG2-CE 4.43Å; I174-M246 HydrophobicContact CG2-SD 4.35Å; I174-V258 HydrophobicContact CD1-CG1 3.61Å; I174-V258 HydrophobicContact CG1-CG1 4.16Å; I174-V259 PolarHBondContact N-O 2.83Å; I174-L260 HydrophobicContact CB-CD1 3.72Å; I174-L260 HydrophobicContact CG2-CD1 3.71Å; I174-L260 WeakPolarHBondContact O-CA 3.46Å; I174-Q261 PolarHBondContact O-N 3.11Å; I174-I289 HydrophobicContact CD1-CB 4.44Å; I174-I289 HydrophobicContact CD1-CD1 3.45Å; I174-I289 VanDerWaalsContact CD1-CD1 3.45Å; I174-I289 HydrophobicContact CD1-CG1 3.64Å; I174-I289 HydrophobicContact CD1-CG2 3.91Å
175D98.9Very high98.5Very high0 Ų015.8 Ų15.80%07%0.069CC..EExtended strand (participates in β ladder)trans-124.9120.4-176.7-154.4-38000110.2H141 Y173 D177 G181 V197 F199 Q261H141-D175 IonicContact CE1-OD1 3.62Å; H141-D175 IonicContact CE1-OD2 2.75Å; H141-D175 IonicContact CG-OD2 3.58Å; H141-D175 IonicContact ND1-OD1 2.68Å; H141-D175 IonicContact ND1-OD2 3.24Å; H141-D175 PolarHBondContact ND1-OD2 2.88Å; Y173-D175 HydrophobicContact CE1-CB 3.72Å; Y173-D175 WeakPolarHBondContact CE1-OD2 3.2Å; Y173-D175 VanDerWaalsContact OH-CG 3.29Å; Y173-D175 PolarHBondContact OH-OD2 3.41Å; D175-D177 WeakPolarHBondContact OD1-CB 3.46Å; D175-D177 PolarHBondContact OD1-N 2.92Å; D175-G181 WeakPolarHBondContact OD2-CA 3.3Å; D175-V197 PolarHBondContact N-O 2.72Å; D175-F199 PolarHBondContact O-N 3.22Å; D175-Q261 PolarHBondContact OD1-OE1 3.24Å
176I98.9Very high98.5Very high0 Ų019.6 Ų19.60%09%0.086CC..  trans-118.713.8177.263.8172.5000112.9Y238 F242 Q261 S266 H282 C285I176-Y238 WeakPolarHBondContact CB-OH 3.33Å; I176-Y238 HydrophobicContact CG2-CE1 4.5Å; I176-Y238 WeakPolarHBondContact CG2-OH 2.55Å; I176-F242 HydrophobicContact CG2-CD2 4.4Å; I176-F242 HydrophobicContact CG2-CE2 3.76Å; I176-Q261 VanDerWaalsContact CG1-O 3.27Å; I176-Q261 WeakPolarHBondContact CG1-O 3.4Å; I176-Q261 PolarHBondContact N-O 3.07Å; I176-S266 VanDerWaalsContact O-CB 3.3Å; I176-S266 WeakPolarHBondContact O-CB 3.47Å; I176-S266 PolarHBondContact O-OG 2.86Å; I176-S266 VanDerWaalsContact O-OG 3.11Å; I176-H282 WeakPolarHBondContact CD1-CE1 3.15Å; I176-C285 HydrophobicContact CD1-CB 3.9Å; I176-C285 HydrophobicContact CG2-CB 4.48Å
177D98.9Very high98.5Very high0 Ų019.4 Ų19.40%09%0.091CC..SBendtrans-57.8156.1161.8-155.3-79.9000110.9H141 D175 H179 Q261 G263 D265 G302H141-D177 VanDerWaalsContact CE1-CB 3.45Å; H141-D177 WeakPolarHBondContact CE1-CB 3.33Å; H141-D177 IonicContact CE1-OD1 2.8Å; H141-D177 IonicContact CE1-OD2 2.9Å; H141-D177 IonicContact NE2-OD1 3.62Å; H141-D177 IonicContact NE2-OD2 2.89Å; D175-D177 WeakPolarHBondContact OD1-CB 3.46Å; D175-D177 PolarHBondContact OD1-N 2.92Å; D177-H179 PolarHBondContact O-N 3.2Å; D177-H179 WeakPolarHBondContact OD1-CB 3.22Å; D177-H179 IonicContact OD1-CE1 2.72Å; D177-H179 IonicContact OD1-CG 3.44Å; D177-H179 PolarHBondContact OD1-N 2.89Å; D177-H179 IonicContact OD1-ND1 3.55Å; D177-H179 PolarHBondContact OD1-ND1 3.2Å; D177-Q261 PolarHBondContact OD2-NE2 2.94Å; D177-G263 WeakPolarHBondContact OD2-CA 3.37Å; D177-D265 VanDerWaalsContact OD1-OD1 3.12Å; D177-G302 WeakPolarHBondContact OD2-CA 3.3Å; D177-G302 PolarHBondContact OD2-N 3.19Å
178I98.8Very high98.6Very high0 Ų015.2 Ų15.20%08%0.075CC..SBendtrans-72.7-21.8173.9-158.9176.2000112.3H200 K201 Y205 D265 F275I178-H200 CarbonylContact O-C 3.54Å; I178-H200 WeakPolarHBondContact O-CA 3.37Å; I178-H200 WeakPolarHBondContact O-CB 3.4Å; I178-K201 HydrophobicContact CD1-CB 4.46Å; I178-K201 HydrophobicContact CG1-CB 4Å; I178-K201 PolarHBondContact O-N 2.99Å; I178-Y205 HydrophobicContact CG2-CE1 4.16Å; I178-D265 HydrophobicContact CG2-CB 4Å; I178-D265 VanDerWaalsContact CG2-CG 3.5Å; I178-D265 WeakPolarHBondContact CG2-OD1 3.26Å; I178-D265 PolarHBondContact N-OD1 3.39Å; I178-D265 VanDerWaalsContact N-OD1 3.08Å; I178-F275 HydrophobicContact CD1-CB 4.06Å; I178-F275 HydrophobicContact CD1-CD1 3.63Å; I178-F275 HydrophobicContact CD1-CD2 4.19Å; I178-F275 HydrophobicContact CD1-CE1 4.09Å; I178-F275 HydrophobicContact CD1-CG 3.68Å; I178-F275 HydrophobicContact CG1-CD1 3.89Å; I178-F275 HydrophobicContact CG1-CD2 3.88Å; I178-F275 HydrophobicContact CG1-CE1 3.9Å; I178-F275 HydrophobicContact CG1-CE2 3.87Å; I178-F275 HydrophobicContact CG1-CG 3.87Å; I178-F275 HydrophobicContact CG1-CZ 3.87Å
179H98.9Very high98.6Very high13 Ų1317.3 Ų17.36%0.068%0.082CC..SBendtrans-91.7151.3177.9-49.488.1000111.3H142 D177 G181 H200 Y205 D265H142-H179 WeakPolarHBondContact NE2-CB 3.47Å; H142-H179 AromaticContact NE2-CG 3.9Å; D177-H179 PolarHBondContact O-N 3.2Å; D177-H179 WeakPolarHBondContact OD1-CB 3.22Å; D177-H179 IonicContact OD1-CE1 2.72Å; D177-H179 IonicContact OD1-CG 3.44Å; D177-H179 PolarHBondContact OD1-N 2.89Å; D177-H179 IonicContact OD1-ND1 3.55Å; D177-H179 PolarHBondContact OD1-ND1 3.2Å; H179-G181 PolarHBondContact O-N 3.49Å; H179-H200 VanDerWaalsContact C-CB 3.47Å; H179-Y205 AromaticContact CD2-CE1 3.35Å; H179-Y205 WeakPolarHBondContact CD2-CE1 3.22Å; H179-Y205 AromaticContact CD2-CZ 3.97Å; H179-Y205 AromaticContact NE2-CE1 3.52Å; H179-Y205 AromaticContact NE2-CZ 3.63Å; H179-Y205 PolarHBondContact NE2-OH 2.58Å; H179-D265 IonicContact CE1-OD2 2.74Å; H179-D265 PolarHBondContact CE1-OD2 3.08Å; H179-D265 IonicContact ND1-OD2 2.7Å; H179-D265 PolarHBondContact ND1-OD2 3.18Å
180H98.9Very high98.8Very high2 Ų219 Ų191%0.00910%0.097CC..  trans-66.1131.5174.4175.1-133.6000110.8H142 D182 E185 H200 P207 T209 G210 N226H142-H180 PolarHBondContact CE1-O 2.93Å; H180-D182 WeakPolarHBondContact ND1-CB 3.34Å; H180-D182 PolarHBondContact O-N 2.92Å; H180-E185 IonicContact CE1-OE1 3.88Å; H180-E185 PolarHBondContact CE1-OE1 2.78Å; H180-E185 IonicContact NE2-OE1 3.79Å; H180-E185 IonicContact NE2-OE2 3.67Å; H180-E185 PolarHBondContact NE2-OE2 2.79Å; H180-H200 HydrophobicContact CB-CB 4.31Å; H180-H200 AromaticContact CD2-CE1 3.5Å; H180-H200 PolarHBondContact CD2-CE1 3.41Å; H180-H200 VanDerWaalsContact CD2-CE1 3.5Å; H180-H200 AromaticContact CD2-ND1 3.62Å; H180-H200 AromaticContact CD2-NE2 3.3Å; H180-H200 PolarHBondContact CD2-NE2 2.85Å; H180-H200 VanDerWaalsContact CD2-NE2 3.3Å; H180-H200 AromaticContact CG-ND1 3.99Å; H180-H200 AromaticContact CG-NE2 3.94Å; H180-H200 AromaticContact NE2-NE2 3.95Å; H180-P207 HydrophobicContact CB-CG 3.95Å; H180-T209 PolarHBondContact ND1-OG1 3.16Å; H180-G210 PolarHBondContact ND1-N 3.22Å; H180-N226 PolarHBondContact CD2-OD1 3.49Å; H180-N226 PolarHBondContact NE2-OD1 3.13Å; H180-N226 VanDerWaalsContact NE2-OD1 3.14Å
181G98.8Very high98.8Very high2 Ų218.6 Ų18.62%0.02110%0.099CC..  trans-7050.8177.400000115H141 D175 H179 G183 V184 E185H141-G181 WeakPolarHBondContact ND1-CA 3.21Å; D175-G181 WeakPolarHBondContact OD2-CA 3.3Å; H179-G181 PolarHBondContact O-N 3.49Å; G181-G183 PolarHBondContact O-N 2.74Å; G181-V184 PolarHBondContact O-N 3.22Å; G181-E185 PolarHBondContact O-N 3.37Å
182D98.8Very high98.7Very high13 Ų1321.3 Ų21.37%0.0711%0.114CC..Hα-helixtrans-69.3-28.8-161.877.5-44.6000114.8H142 K144 H180 E186 P207 T209H142-D182 IonicContact CE1-OD1 3.19Å; H142-D182 IonicContact CG-OD1 3.13Å; H142-D182 IonicContact ND1-OD1 3.7Å; H142-D182 PolarHBondContact ND1-OD1 3.3Å; K144-D182 WeakPolarHBondContact CE-OD2 3.15Å; K144-D182 VanDerWaalsContact NZ-CG 3.3Å; K144-D182 PolarHBondContact NZ-O 3.48Å; K144-D182 IonicContact NZ-OD1 3.5Å; K144-D182 IonicContact NZ-OD2 3.38Å; K144-D182 PolarHBondContact NZ-OD2 3.25Å; H180-D182 WeakPolarHBondContact ND1-CB 3.34Å; H180-D182 PolarHBondContact O-N 2.92Å; D182-E186 WeakPolarHBondContact O-CB 3.25Å; D182-E186 PolarHBondContact O-N 3.17Å; D182-P207 HydrophobicContact CB-CB 4.48Å; D182-P207 HydrophobicContact CB-CG 3.79Å; D182-T209 WeakPolarHBondContact CB-OG1 3.24Å
183G98.8Very high98.7Very high0 Ų023.5 Ų23.50%012%0.122CC..Hα-helixtrans-71.5-3517400000112.7H141 G181 A187H141-G183 WeakPolarHBondContact O-CA 3.41Å; H141-G183 PolarHBondContact O-N 2.96Å; H141-G183 VanDerWaalsContact O-N 3.08Å; G181-G183 PolarHBondContact O-N 2.74Å; G183-A187 WeakPolarHBondContact O-CB 3.47Å; G183-A187 PolarHBondContact O-N 2.88Å
184V98.9Very high98.7Very high0 Ų023.5 Ų23.50%012%0.122CC..Hα-helixtrans-75-43175.3-170.40000110.8H141 I157 V158 I161 Y173 G181 A187 F188 T196H141-V184 HydrophobicContact CB-CG2 3.96Å; H141-V184 PolarHBondContact O-N 2.7Å; I157-V184 HydrophobicContact CB-CG2 3.93Å; I157-V184 HydrophobicContact CD1-CG2 3.89Å; I157-V184 HydrophobicContact CG1-CG2 4.39Å; I157-V184 HydrophobicContact CG2-CG1 4.35Å; I157-V184 HydrophobicContact CG2-CG2 4.01Å; V158-V184 HydrophobicContact CG2-CB 4.45Å; V158-V184 HydrophobicContact CG2-CG1 4.38Å; V158-V184 HydrophobicContact CG2-CG2 4.34Å; I161-V184 HydrophobicContact CD1-CG1 3.91Å; Y173-V184 HydrophobicContact CD1-CB 4.1Å; Y173-V184 HydrophobicContact CD1-CG1 3.62Å; Y173-V184 HydrophobicContact CD2-CG1 4.22Å; Y173-V184 HydrophobicContact CE1-CB 3.8Å; Y173-V184 HydrophobicContact CE1-CG1 3.8Å; Y173-V184 HydrophobicContact CE1-CG2 4.03Å; Y173-V184 HydrophobicContact CE2-CG1 4.39Å; Y173-V184 HydrophobicContact CE2-CG2 4.46Å; Y173-V184 HydrophobicContact CG-CG1 3.84Å; G181-V184 PolarHBondContact O-N 3.22Å; V184-A187 PolarHBondContact O-N 3.3Å; V184-F188 HydrophobicContact CG1-CD2 4.04Å; V184-F188 HydrophobicContact CG1-CE2 4.18Å; V184-F188 WeakPolarHBondContact O-CD2 3.33Å; V184-F188 PolarHBondContact O-N 3.37Å; V184-T196 HydrophobicContact CG1-CG2 4.25Å
185E98.9Very high98.7Very high10 Ų1023.5 Ų23.55%0.04712%0.122CC..Hα-helixtrans-59.2-48.6174.1175.7159.8117.500111.6H180 G181 A187 F188 Y189 T196 A224 N226H180-E185 IonicContact CE1-OE1 3.88Å; H180-E185 PolarHBondContact CE1-OE1 2.78Å; H180-E185 IonicContact NE2-OE1 3.79Å; H180-E185 IonicContact NE2-OE2 3.67Å; H180-E185 PolarHBondContact NE2-OE2 2.79Å; G181-E185 PolarHBondContact O-N 3.37Å; E185-A187 PolarHBondContact O-N 3.43Å; E185-F188 CarbonylContact O-C 3.59Å; E185-F188 PolarHBondContact O-N 3.5Å; E185-Y189 HydrophobicContact CG-CD2 3.59Å; E185-Y189 HydrophobicContact CG-CE2 3.93Å; E185-Y189 WeakPolarHBondContact O-CA 3.44Å; E185-Y189 WeakPolarHBondContact O-CB 3.36Å; E185-Y189 PolarHBondContact O-N 3.25Å; E185-T196 PolarHBondContact OE2-OG1 2.8Å; E185-A224 HydrophobicContact CG-CB 4.32Å; E185-A224 WeakPolarHBondContact OE2-CB 3.28Å; E185-N226 PolarHBondContact OE1-ND2 3.43Å; E185-N226 PolarHBondContact OE2-ND2 2.87Å
186E98.8Very high98.7Very high102 Ų10223.9 Ų23.948%0.47713%0.125SC..Hα-helixtrans-60.1-43.3178.7-175.1-172.2124.500112.4K144 D182 F188 Y189K144-E186 WeakPolarHBondContact CD-OE2 3.23Å; K144-E186 WeakPolarHBondContact CE-OE2 3.47Å; K144-E186 IonicContact NZ-OE2 3.8Å; K144-E186 PolarHBondContact NZ-OE2 3.18Å; D182-E186 WeakPolarHBondContact O-CB 3.25Å; D182-E186 PolarHBondContact O-N 3.17Å; E186-F188 PolarHBondContact O-N 1.88Å; E186-Y189 PolarHBondContact O-N 2.87Å
187A98.8Very high98.7Very high29 Ų2924 Ų2424%0.2413%0.125CC..Hα-helixtrans-59.5-31.4179.500000113.3Y68 V158 G183 V184 E185Y68-A187 HydrophobicContact CD2-CB 4.46Å; Y68-A187 HydrophobicContact CE2-CB 3.62Å; V158-A187 HydrophobicContact CB-CB 4.41Å; V158-A187 HydrophobicContact CG1-CB 3.89Å; V158-A187 HydrophobicContact CG2-CB 3.54Å; G183-A187 WeakPolarHBondContact O-CB 3.47Å; G183-A187 PolarHBondContact O-N 2.88Å; V184-A187 PolarHBondContact O-N 3.3Å; E185-A187 PolarHBondContact O-N 3.43Å
188F98.8Very high98.7Very high15 Ų1524.1 Ų24.17%0.06613%0.126CC..Hα-helixtrans-114.94.8-176-60.9-62.4000114.7V158 I161 L162 L165 V184 E185 E186 T190 T191 V194V158-F188 HydrophobicContact CB-CE2 4.34Å; V158-F188 HydrophobicContact CB-CZ 4.49Å; V158-F188 HydrophobicContact CG1-CE2 4.15Å; V158-F188 HydrophobicContact CG1-CZ 3.92Å; V158-F188 HydrophobicContact CG2-CE2 3.99Å; I161-F188 HydrophobicContact CB-CE2 3.92Å; I161-F188 HydrophobicContact CB-CZ 3.79Å; I161-F188 HydrophobicContact CD1-CD2 4.5Å; I161-F188 HydrophobicContact CD1-CE2 3.83Å; I161-F188 HydrophobicContact CG1-CE2 4.49Å; I161-F188 HydrophobicContact CG2-CE1 4.06Å; I161-F188 HydrophobicContact CG2-CE2 3.67Å; I161-F188 HydrophobicContact CG2-CZ 3.4Å; I161-F188 VanDerWaalsContact CG2-CZ 3.4Å; L162-F188 HydrophobicContact CD2-CE1 4.25Å; L162-F188 HydrophobicContact CG-CZ 4.41Å; L165-F188 HydrophobicContact CD1-CE1 4.1Å; V184-F188 HydrophobicContact CG1-CD2 4.04Å; V184-F188 HydrophobicContact CG1-CE2 4.18Å; V184-F188 WeakPolarHBondContact O-CD2 3.33Å; V184-F188 PolarHBondContact O-N 3.37Å; E185-F188 CarbonylContact O-C 3.59Å; E185-F188 PolarHBondContact O-N 3.5Å; E186-F188 PolarHBondContact O-N 1.88Å; F188-T190 PolarHBondContact O-N 3.24Å; F188-T191 HydrophobicContact CB-CG2 3.88Å; F188-T191 HydrophobicContact CD1-CG2 3.92Å; F188-T191 HydrophobicContact CG-CG2 4.37Å; F188-T191 VanDerWaalsContact O-CG2 3.28Å; F188-T191 WeakPolarHBondContact O-CG2 3.45Å; F188-T191 PolarHBondContact O-N 3.07Å; F188-V194 HydrophobicContact CB-CB 3.9Å; F188-V194 HydrophobicContact CB-CG1 4.13Å; F188-V194 HydrophobicContact CB-CG2 4.46Å; F188-V194 HydrophobicContact CD1-CB 4.04Å; F188-V194 HydrophobicContact CD1-CG2 3.64Å; F188-V194 HydrophobicContact CD2-CB 4.23Å; F188-V194 HydrophobicContact CD2-CG1 3.82Å; F188-V194 HydrophobicContact CD2-CG2 4.31Å; F188-V194 HydrophobicContact CE1-CG2 3.9Å; F188-V194 HydrophobicContact CE2-CG1 4.39Å; F188-V194 HydrophobicContact CG-CB 3.78Å; F188-V194 HydrophobicContact CG-CG1 3.89Å; F188-V194 HydrophobicContact CG-CG2 3.87Å; F188-V194 HydrophobicContact CZ-CG2 4.34Å
189Y98.6Very high98.7Very high69 Ų6924.1 Ų24.127%0.27113%0.126SC..THydrogen-bonded Turntrans-54.6-17.9-172.4-153.4-111.8000115.8E185 E186 G216 A217 A224E185-Y189 HydrophobicContact CG-CD2 3.59Å; E185-Y189 HydrophobicContact CG-CE2 3.93Å; E185-Y189 WeakPolarHBondContact O-CA 3.44Å; E185-Y189 WeakPolarHBondContact O-CB 3.36Å; E185-Y189 PolarHBondContact O-N 3.25Å; E186-Y189 PolarHBondContact O-N 2.87Å; Y189-G216 VanDerWaalsContact CZ-CA 3.41Å; Y189-G216 PolarHBondContact OH-N 3.04Å; Y189-A217 HydrophobicContact CD1-CB 3.83Å; Y189-A217 HydrophobicContact CE1-CB 3.87Å; Y189-A217 PolarHBondContact O-N 2.9Å; Y189-A224 HydrophobicContact CE2-CB 4.3Å
190T98.4Very high98.7Very high97 Ų9723.5 Ų23.560%0.59512%0.123SC*.THydrogen-bonded Turntrans-115.45.6-176.359.30000115.3F188 A217 G220F188-T190 PolarHBondContact O-N 3.24Å; T190-A217 WeakPolarHBondContact CA-O 3.48Å; T190-A217 HydrophobicContact CG2-CB 4.38Å; T190-G220 PolarHBondContact O-N 3.38Å
191T97.8Very high98.7Very high37 Ų3724.8 Ų24.823%0.22713%0.129CC..  trans-115.2149.5179.1-173.70000112.9F188 R193 V194 G220F188-T191 HydrophobicContact CB-CG2 3.88Å; F188-T191 HydrophobicContact CD1-CG2 3.92Å; F188-T191 HydrophobicContact CG-CG2 4.37Å; F188-T191 VanDerWaalsContact O-CG2 3.28Å; F188-T191 WeakPolarHBondContact O-CG2 3.45Å; F188-T191 PolarHBondContact O-N 3.07Å; T191-R193 PolarHBondContact OG1-N 3.4Å; T191-V194 HydrophobicContact CG2-CB 4.39Å; T191-V194 HydrophobicContact CG2-CG2 4.5Å; T191-G220 WeakPolarHBondContact O-CA 3.38Å
192D97Very high98.6Very high56 Ų5628.1 Ų28.130%0.29914%0.141SC..SBendtrans-95.1-1.7173.655.9-14.3000113Y223D192-Y223 HydrophobicContact CB-CD1 4.3Å; D192-Y223 HydrophobicContact CB-CD2 4.16Å; D192-Y223 HydrophobicContact CB-CE1 3.93Å; D192-Y223 HydrophobicContact CB-CE2 3.8Å; D192-Y223 HydrophobicContact CB-CG 4.42Å; D192-Y223 WeakPolarHBondContact O-CE1 3.4Å
193R98.3Very high98.4Very high47 Ų4729.3 Ų29.318%0.17716%0.157CC..SBendtrans-86.8-12.4178.9-65.9-164.362.5-162.4-9.7114.7L165 H168 Q169 R170 V171 T191 Y253L165-R193 HydrophobicContact CD2-CB 3.82Å; L165-R193 PolarHBondContact O-NH1 3.21Å; L165-R193 PolarHBondContact O-NH2 3.27Å; H168-R193 PolarHBondContact O-NH2 2.84Å; Q169-R193 PolarHBondContact O-NE 3.07Å; R170-R193 WeakPolarHBondContact CA-O 3.46Å; V171-R193 PolarHBondContact N-O 3.28Å; T191-R193 PolarHBondContact OG1-N 3.4Å; R193-Y253 PolarHBondContact O-OH 2.97Å
194V98.8Very high98.2Very high2 Ų239.2 Ų39.21%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-130132.2173.1-175.70000107.3I161 L165 V171 F188 T191 Y253I161-V194 HydrophobicContact CG2-CG1 4.16Å; I161-V194 HydrophobicContact CG2-CG2 3.58Å; L165-V194 HydrophobicContact CD1-CG2 3.74Å; L165-V194 HydrophobicContact CD2-CG2 4.04Å; L165-V194 HydrophobicContact CG-CG2 4.25Å; V171-V194 WeakPolarHBondContact O-CA 3.34Å; F188-V194 HydrophobicContact CB-CB 3.9Å; F188-V194 HydrophobicContact CB-CG1 4.13Å; F188-V194 HydrophobicContact CB-CG2 4.46Å; F188-V194 HydrophobicContact CD1-CB 4.04Å; F188-V194 HydrophobicContact CD1-CG2 3.64Å; F188-V194 HydrophobicContact CD2-CB 4.23Å; F188-V194 HydrophobicContact CD2-CG1 3.82Å; F188-V194 HydrophobicContact CD2-CG2 4.31Å; F188-V194 HydrophobicContact CE1-CG2 3.9Å; F188-V194 HydrophobicContact CE2-CG1 4.39Å; F188-V194 HydrophobicContact CG-CB 3.78Å; F188-V194 HydrophobicContact CG-CG1 3.89Å; F188-V194 HydrophobicContact CG-CG2 3.87Å; F188-V194 HydrophobicContact CZ-CG2 4.34Å; T191-V194 HydrophobicContact CG2-CB 4.39Å; T191-V194 HydrophobicContact CG2-CG2 4.5Å; V194-Y253 VanDerWaalsContact CA-OH 3.22Å; V194-Y253 WeakPolarHBondContact CA-OH 3.4Å; V194-Y253 PolarHBondContact N-OH 3.01Å
195M98.9Very high98.1Very high0 Ų041.4 Ų41.40%021%0.212CC..EExtended strand (participates in β ladder)trans-108.7129.2167.9174.5172.7-82.200108.1V171 L172 Y173 V197 Y223 V225 V249 Y253 L371 L374V171-M195 PolarHBondContact O-N 2.93Å; L172-M195 HydrophobicContact CD1-CB 4.12Å; L172-M195 HydrophobicContact CD1-CG 4.08Å; L172-M195 HydrophobicContact CD1-SD 4.4Å; Y173-M195 PolarHBondContact N-O 3.18Å; M195-V197 HydrophobicContact CG-CG2 4.01Å; M195-V197 HydrophobicContact SD-CG2 4.31Å; M195-Y223 CarbonylContact C-O 3.51Å; M195-Y223 WeakPolarHBondContact CA-O 3.42Å; M195-Y223 HydrophobicContact CE-CD1 4.1Å; M195-Y223 WeakPolarHBondContact CG-O 3.46Å; M195-V225 HydrophobicContact CE-CG2 4.37Å; M195-V225 HydrophobicContact CG-CG2 4.35Å; M195-V225 HydrophobicContact SD-CG2 4.2Å; M195-V249 HydrophobicContact SD-CB 4.45Å; M195-V249 HydrophobicContact SD-CG1 3.7Å; M195-V249 HydrophobicContact SD-CG2 4.2Å; M195-Y253 HydrophobicContact CB-CD1 3.68Å; M195-Y253 HydrophobicContact CB-CD2 4Å; M195-Y253 HydrophobicContact CB-CE1 3.49Å; M195-Y253 VanDerWaalsContact CB-CE1 3.49Å; M195-Y253 HydrophobicContact CB-CE2 3.83Å; M195-Y253 HydrophobicContact CB-CG 3.94Å; M195-Y253 HydrophobicContact CE-CD2 4.01Å; M195-Y253 HydrophobicContact CE-CG 4.01Å; M195-Y253 HydrophobicContact CG-CD1 4.45Å; M195-Y253 PolarHBondContact N-OH 3.42Å; M195-Y253 VanDerWaalsContact N-OH 3.16Å; M195-Y253 HydrophobicContact SD-CD1 4.1Å; M195-Y253 HydrophobicContact SD-CD2 4.34Å; M195-Y253 HydrophobicContact SD-CG 3.82Å; M195-L371 HydrophobicContact CE-CD2 4.09Å; M195-L371 HydrophobicContact SD-CD2 4.42Å; M195-L374 HydrophobicContact CE-CD1 4.28Å; M195-L374 HydrophobicContact CE-CD2 3.59Å
196T98.9Very high98.1Very high8 Ų845 Ų455%0.04923%0.227CC..EExtended strand (participates in β ladder)trans-100.7132.1172.954.60000109.7Y173 V184 E185 Y223 V225Y173-T196 HydrophobicContact CD1-CG2 3.93Å; V184-T196 HydrophobicContact CG1-CG2 4.25Å; E185-T196 PolarHBondContact OE2-OG1 2.8Å; T196-Y223 PolarHBondContact N-O 3.07Å; T196-V225 PolarHBondContact O-N 3.45Å
197V98.9Very high98.1Very high1 Ų141.5 Ų41.51%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-130.8116176.3-168.70000109L172 Y173 I174 D175 M195 F199 V225 I245 M246 V249L172-V197 HydrophobicContact CD1-CG2 3.73Å; Y173-V197 PolarHBondContact O-N 3.3Å; I174-V197 CarbonylContact C-O 3.38Å; I174-V197 WeakPolarHBondContact CA-O 3.39Å; D175-V197 PolarHBondContact N-O 2.72Å; M195-V197 HydrophobicContact CG-CG2 4.01Å; M195-V197 HydrophobicContact SD-CG2 4.31Å; V197-F199 HydrophobicContact CG1-CD2 4.42Å; V197-F199 HydrophobicContact CG1-CE2 3.69Å; V197-F199 HydrophobicContact CG1-CZ 4.15Å; V197-V225 WeakPolarHBondContact CA-O 3.44Å; V197-V225 HydrophobicContact CB-CB 4.39Å; V197-V225 HydrophobicContact CG1-CB 4.12Å; V197-V225 HydrophobicContact CG1-CG1 4.06Å; V197-V225 HydrophobicContact CG2-CB 4.09Å; V197-V225 HydrophobicContact CG2-CG2 4.38Å; V197-I245 HydrophobicContact CG1-CG2 4.31Å; V197-M246 HydrophobicContact CB-SD 4.31Å; V197-M246 HydrophobicContact CG1-SD 3.79Å; V197-M246 HydrophobicContact CG2-CE 4.47Å; V197-V249 HydrophobicContact CG2-CG1 4.22Å; V197-V249 HydrophobicContact CG2-CG2 4.04Å
198S98.9Very high98Very high4 Ų442.6 Ų42.63%0.02823%0.228CC..EExtended strand (participates in β ladder)trans-127.3137.9-175.2-175.50000112.2H200 V225 Y227S198-H200 WeakPolarHBondContact CA-CE1 3.28Å; S198-H200 WeakPolarHBondContact CB-CE1 3.35Å; S198-H200 WeakPolarHBondContact CB-ND1 3.36Å; S198-H200 PolarHBondContact O-CE1 3.36Å; S198-H200 VanDerWaalsContact O-CE1 3.25Å; S198-H200 PolarHBondContact OG-CE1 3.15Å; S198-H200 PolarHBondContact OG-ND1 3.05Å; S198-V225 PolarHBondContact N-O 2.85Å; S198-Y227 PolarHBondContact O-N 2.73Å
199F98.9Very high98Very high0 Ų044.7 Ų44.70%024%0.242CC..EExtended strand (participates in β ladder)trans-123.281.1-176.8-66-94.7000111.2D175 V197 Y227 Y238 I241 F242 I245 M246D175-F199 PolarHBondContact O-N 3.22Å; V197-F199 HydrophobicContact CG1-CD2 4.42Å; V197-F199 HydrophobicContact CG1-CE2 3.69Å; V197-F199 HydrophobicContact CG1-CZ 4.15Å; F199-Y227 HydrophobicContact CD1-CD2 4.05Å; F199-Y227 AromaticContact CD1-CG 3.83Å; F199-Y227 HydrophobicContact CD1-CG 3.83Å; F199-Y227 AromaticContact CE1-CD2 3.81Å; F199-Y227 HydrophobicContact CE1-CD2 3.81Å; F199-Y227 HydrophobicContact CE1-CG 4.08Å; F199-Y238 HydrophobicContact CB-CE2 4.25Å; F199-Y238 WeakPolarHBondContact CB-OH 3.5Å; F199-I241 HydrophobicContact CD1-CD1 4.34Å; F199-F242 AromaticContact CD2-CD2 3.96Å; F199-F242 HydrophobicContact CD2-CD2 3.96Å; F199-F242 HydrophobicContact CD2-CE2 4.15Å; F199-F242 HydrophobicContact CE1-CD2 4.27Å; F199-F242 AromaticContact CE2-CD2 3.53Å; F199-F242 HydrophobicContact CE2-CD2 3.53Å; F199-F242 AromaticContact CE2-CE2 3.73Å; F199-F242 HydrophobicContact CE2-CE2 3.73Å; F199-F242 HydrophobicContact CG-CD2 4.49Å; F199-F242 AromaticContact CZ-CD2 3.7Å; F199-F242 HydrophobicContact CZ-CD2 3.7Å; F199-F242 HydrophobicContact CZ-CE2 4.31Å; F199-F242 HydrophobicContact CZ-CG 4.44Å; F199-I245 HydrophobicContact CE1-CB 4.33Å; F199-I245 HydrophobicContact CE1-CG2 4.26Å; F199-I245 HydrophobicContact CZ-CB 4.05Å; F199-I245 HydrophobicContact CZ-CG2 3.71Å; F199-M246 HydrophobicContact CE2-CG 4.43Å; F199-M246 HydrophobicContact CE2-SD 3.88Å; F199-M246 HydrophobicContact CZ-CG 4.36Å; F199-M246 HydrophobicContact CZ-SD 4.08Å
200H98.9Very high98Very high0 Ų041.4 Ų41.40%023%0.229CC..EExtended strand (participates in β ladder)trans-125.8161.8-162.652.4-96.2000112.7I178 H179 H180 S198 G210 N226 Y227 L229I178-H200 CarbonylContact O-C 3.54Å; I178-H200 WeakPolarHBondContact O-CA 3.37Å; I178-H200 WeakPolarHBondContact O-CB 3.4Å; H179-H200 VanDerWaalsContact C-CB 3.47Å; H180-H200 HydrophobicContact CB-CB 4.31Å; H180-H200 AromaticContact CD2-CE1 3.5Å; H180-H200 PolarHBondContact CD2-CE1 3.41Å; H180-H200 VanDerWaalsContact CD2-CE1 3.5Å; H180-H200 AromaticContact CD2-ND1 3.62Å; H180-H200 AromaticContact CD2-NE2 3.3Å; H180-H200 PolarHBondContact CD2-NE2 2.85Å; H180-H200 VanDerWaalsContact CD2-NE2 3.3Å; H180-H200 AromaticContact CG-ND1 3.99Å; H180-H200 AromaticContact CG-NE2 3.94Å; H180-H200 AromaticContact NE2-NE2 3.95Å; S198-H200 WeakPolarHBondContact CA-CE1 3.28Å; S198-H200 WeakPolarHBondContact CB-CE1 3.35Å; S198-H200 WeakPolarHBondContact CB-ND1 3.36Å; S198-H200 PolarHBondContact O-CE1 3.36Å; S198-H200 VanDerWaalsContact O-CE1 3.25Å; S198-H200 PolarHBondContact OG-CE1 3.15Å; S198-H200 PolarHBondContact OG-ND1 3.05Å; H200-G210 PolarHBondContact NE2-O 3.41Å; H200-N226 WeakPolarHBondContact NE2-CA 3.41Å; H200-N226 WeakPolarHBondContact NE2-CB 3.44Å; H200-N226 PolarHBondContact NE2-OD1 3.45Å; H200-Y227 PolarHBondContact N-O 3.35Å; H200-L229 WeakPolarHBondContact O-CB 3.22Å; H200-L229 PolarHBondContact O-N 2.95Å
201K98.8Very high98Very high28 Ų2837.7 Ų37.712%0.12221%0.206CC..EExtended strand (participates in β ladder)trans-68.1136.8169.2170.5168.1163.261.60110.4I178 Y205 L229 D231 C274 F275I178-K201 HydrophobicContact CD1-CB 4.46Å; I178-K201 HydrophobicContact CG1-CB 4Å; I178-K201 PolarHBondContact O-N 2.99Å; K201-Y205 HydrophobicContact CB-CD1 3.79Å; K201-Y205 HydrophobicContact CB-CE1 4.06Å; K201-Y205 HydrophobicContact CB-CG 4.3Å; K201-Y205 HydrophobicContact CD-CD1 3.9Å; K201-Y205 HydrophobicContact CD-CD2 3.65Å; K201-Y205 HydrophobicContact CD-CE1 4.16Å; K201-Y205 HydrophobicContact CD-CE2 3.9Å; K201-Y205 HydrophobicContact CD-CG 3.64Å; K201-Y205 HydrophobicContact CG-CD1 3.77Å; K201-Y205 HydrophobicContact CG-CD2 4.28Å; K201-Y205 HydrophobicContact CG-CE1 4.33Å; K201-Y205 HydrophobicContact CG-CG 3.74Å; K201-L229 WeakPolarHBondContact CA-O 3.42Å; K201-D231 WeakPolarHBondContact CE-OD1 3.26Å; K201-D231 IonicContact NZ-OD1 2.72Å; K201-D231 PolarHBondContact NZ-OD1 3.13Å; K201-C274 WeakPolarHBondContact CD-SG 3.44Å; K201-F275 HydrophobicContact CB-CE1 3.96Å; K201-F275 HydrophobicContact CB-CZ 4.3Å
202Y98.4Very high98Very high72 Ų7237 Ų3728%0.28220%0.2SC..  trans-133.9148.5177.9-174-106.4000112.5D211 P228 L229Y202-D211 HydrophobicContact CE1-CB 4.32Å; Y202-D211 WeakPolarHBondContact CE1-OD2 3.49Å; Y202-D211 HydrophobicContact CE2-CB 4.29Å; Y202-D211 WeakPolarHBondContact OH-CB 3.49Å; Y202-D211 PolarHBondContact OH-OD2 3.18Å; Y202-P228 HydrophobicContact CD1-CB 3.83Å; Y202-P228 HydrophobicContact CG-CB 3.74Å; Y202-L229 PolarHBondContact N-O 2.7Å
203G93.8Very high98Very high39 Ų3943 Ų4340%0.40222%0.219SC..SBendtrans91.3115.7-173.300000112.4Y205G203-Y205 VanDerWaalsContact C-N 3.26Å; G203-Y205 PolarHBondContact O-N 2.95Å
204E94.6Very high98Very high208 Ų20843 Ų4397%0.97222%0.222SC*.SBendtrans47.945.2-177.7-63.8-177.2-174.500113.2
205Y97.8Very high98Very high45 Ų4544.3 Ų44.318%0.17623%0.229CC..  trans-144.3151.6-177.6-155.5-113.5000111.2I178 H179 K201 G203 G208 L272I178-Y205 HydrophobicContact CG2-CE1 4.16Å; H179-Y205 AromaticContact CD2-CE1 3.35Å; H179-Y205 WeakPolarHBondContact CD2-CE1 3.22Å; H179-Y205 AromaticContact CD2-CZ 3.97Å; H179-Y205 AromaticContact NE2-CE1 3.52Å; H179-Y205 AromaticContact NE2-CZ 3.63Å; H179-Y205 PolarHBondContact NE2-OH 2.58Å; K201-Y205 HydrophobicContact CB-CD1 3.79Å; K201-Y205 HydrophobicContact CB-CE1 4.06Å; K201-Y205 HydrophobicContact CB-CG 4.3Å; K201-Y205 HydrophobicContact CD-CD1 3.9Å; K201-Y205 HydrophobicContact CD-CD2 3.65Å; K201-Y205 HydrophobicContact CD-CE1 4.16Å; K201-Y205 HydrophobicContact CD-CE2 3.9Å; K201-Y205 HydrophobicContact CD-CG 3.64Å; K201-Y205 HydrophobicContact CG-CD1 3.77Å; K201-Y205 HydrophobicContact CG-CD2 4.28Å; K201-Y205 HydrophobicContact CG-CE1 4.33Å; K201-Y205 HydrophobicContact CG-CG 3.74Å; G203-Y205 VanDerWaalsContact C-N 3.26Å; G203-Y205 PolarHBondContact O-N 2.95Å; Y205-G208 WeakPolarHBondContact O-CA 3.43Å; Y205-G208 PolarHBondContact O-N 2.92Å; Y205-L272 PolarHBondContact OH-O 2.99Å
206F98.1Very high98Very high85 Ų8544.8 Ų44.837%0.37323%0.233SC..THydrogen-bonded Turntrans-69.9143.5176.2-174.8-90.7000110.6H142 S149H142-F206 AromaticContact CD2-CE1 3.68Å; H142-F206 AromaticContact CE1-CE1 3.65Å; H142-F206 AromaticContact CG-CE1 3.9Å; H142-F206 AromaticContact ND1-CE1 3.87Å; H142-F206 AromaticContact NE2-CD1 3.84Å; H142-F206 AromaticContact NE2-CE1 3.48Å; H142-F206 WeakPolarHBondContact NE2-CE1 3.47Å; S149-F206 WeakPolarHBondContact OG-CZ 3.41Å
207P98.1Very high97.9Very high30 Ų3046.3 Ų46.320%0.19525%0.247CC..THydrogen-bonded Turncis-86.22.1-233.8-34.9000114.7H180 D182H180-P207 HydrophobicContact CB-CG 3.95Å; D182-P207 HydrophobicContact CB-CB 4.48Å; D182-P207 HydrophobicContact CB-CG 3.79Å
208G97.7Very high97.9Very high52 Ų5249.6 Ų49.654%0.53628%0.281SS..  trans85.34.9179.800000115.5Y205Y205-G208 WeakPolarHBondContact O-CA 3.43Å; Y205-G208 PolarHBondContact O-N 2.92Å
209T98.4Very high97.7Very high59 Ų5956.4 Ų56.436%0.36231%0.31SS..  trans-109.7177.6172.854.50000110.6H180 D182H180-T209 PolarHBondContact ND1-OG1 3.16Å; D182-T209 WeakPolarHBondContact CB-OG1 3.24Å
210G98.2Very high97.7Very high0 Ų056.5 Ų56.50%031%0.311CS..  trans92.631.8179.300000113.1H180 H200 D214H180-G210 PolarHBondContact ND1-N 3.22Å; H200-G210 PolarHBondContact NE2-O 3.41Å; G210-D214 PolarHBondContact N-OD2 3.17Å; G210-D214 VanDerWaalsContact N-OD2 3.07Å
211D98.1Very high97.6Very high18 Ų1861 Ų6110%0.09633%0.331CS..  trans-62.1155.2171.6-163.6-78.4000110.3Y202 R213 D214Y202-D211 HydrophobicContact CE1-CB 4.32Å; Y202-D211 WeakPolarHBondContact CE1-OD2 3.49Å; Y202-D211 HydrophobicContact CE2-CB 4.29Å; Y202-D211 WeakPolarHBondContact OH-CB 3.49Å; Y202-D211 PolarHBondContact OH-OD2 3.18Å; D211-R213 VanDerWaalsContact CG-NH2 3.31Å; D211-R213 PolarHBondContact O-N 2.86Å; D211-R213 WeakPolarHBondContact OD1-CB 3.47Å; D211-R213 WeakPolarHBondContact OD1-CG 3.34Å; D211-R213 IonicContact OD1-CZ 2.84Å; D211-R213 PolarHBondContact OD1-N 3.34Å; D211-R213 IonicContact OD1-NE 2.72Å; D211-R213 PolarHBondContact OD1-NE 2.88Å; D211-R213 IonicContact OD1-NH2 3.96Å; D211-R213 PolarHBondContact OD1-NH2 2.67Å; D211-R213 IonicContact OD2-CZ 3.85Å; D211-R213 IonicContact OD2-NE 2.77Å; D211-R213 IonicContact OD2-NH2 3.24Å; D211-R213 PolarHBondContact OD2-NH2 2.82Å; D211-D214 PolarHBondContact N-OD2 3.02Å; D211-D214 WeakPolarHBondContact O-CB 3.36Å; D211-D214 PolarHBondContact O-N 3.4Å
212L97.6Very high97.6Very high22 Ų2262.2 Ų62.212%0.11534%0.335CS..THydrogen-bonded Turntrans-56.7-17.2170.5-177.354.6000113.7P228 I363 R366 L367L212-P228 HydrophobicContact CB-CG 3.99Å; L212-I363 HydrophobicContact CD1-CG2 4.02Å; L212-I363 HydrophobicContact CD2-CG1 4.14Å; L212-I363 HydrophobicContact CD2-CG2 4.46Å; L212-R366 HydrophobicContact CD1-CB 4.42Å; L212-R366 HydrophobicContact CD2-CB 4.29Å; L212-L367 HydrophobicContact CD1-CD2 3.5Å; L212-L367 VanDerWaalsContact CD1-CD2 3.5Å; L212-L367 HydrophobicContact CD1-CG 3.82Å
213R98.1Very high97.6Very high184 Ų18459.7 Ų59.769%0.69433%0.325SS*.THydrogen-bonded Turntrans-92.2-10.7176.5-64.6168.4-69.6158.43.6113.6D211 I215D211-R213 VanDerWaalsContact CG-NH2 3.31Å; D211-R213 PolarHBondContact O-N 2.86Å; D211-R213 WeakPolarHBondContact OD1-CB 3.47Å; D211-R213 WeakPolarHBondContact OD1-CG 3.34Å; D211-R213 IonicContact OD1-CZ 2.84Å; D211-R213 PolarHBondContact OD1-N 3.34Å; D211-R213 IonicContact OD1-NE 2.72Å; D211-R213 PolarHBondContact OD1-NE 2.88Å; D211-R213 IonicContact OD1-NH2 3.96Å; D211-R213 PolarHBondContact OD1-NH2 2.67Å; D211-R213 IonicContact OD2-CZ 3.85Å; D211-R213 IonicContact OD2-NE 2.77Å; D211-R213 IonicContact OD2-NH2 3.24Å; D211-R213 PolarHBondContact OD2-NH2 2.82Å; R213-I215 PolarHBondContact O-N 2.87Å; R213-I215 VanDerWaalsContact O-N 3.12Å
214D98.2Very high97.8Very high46 Ų4658 Ų5825%0.24631%0.307CS..  trans-79.994.5176.4-62.5-21.9000107.9G210 D211 N226G210-D214 PolarHBondContact N-OD2 3.17Å; G210-D214 VanDerWaalsContact N-OD2 3.07Å; D211-D214 PolarHBondContact N-OD2 3.02Å; D211-D214 WeakPolarHBondContact O-CB 3.36Å; D211-D214 PolarHBondContact O-N 3.4Å; D214-N226 PolarHBondContact O-ND2 2.92Å
215I98.6Very high98Very high30 Ų3048.5 Ų48.515%0.15426%0.263CS..  trans-121.417.1-169.862.7167.3000113R213 K221 Y222R213-I215 PolarHBondContact O-N 2.87Å; R213-I215 VanDerWaalsContact O-N 3.12Å; I215-K221 HydrophobicContact CD1-CG 4.18Å; I215-K221 HydrophobicContact CG1-CG 4.42Å; I215-K221 CarbonylContact O-C 3.57Å; I215-K221 WeakPolarHBondContact O-CA 3.5Å; I215-Y222 HydrophobicContact CD1-CD1 4.11Å; I215-Y222 HydrophobicContact CD1-CE1 3.79Å; I215-Y222 PolarHBondContact O-N 2.91Å
216G98.3Very high98.1Very high9 Ų946.4 Ų46.49%0.09326%0.255CS..  trans79.4170.8-177.200000113.9Y189Y189-G216 VanDerWaalsContact CZ-CA 3.41Å; Y189-G216 PolarHBondContact OH-N 3.04Å
217A97.9Very high98.1Very high40 Ų4042.5 Ų42.533%0.33124%0.238SC..  trans-134.3158.1-174.300000112.9Y189 T190 K219 G220 K221Y189-A217 HydrophobicContact CD1-CB 3.83Å; Y189-A217 HydrophobicContact CE1-CB 3.87Å; Y189-A217 PolarHBondContact O-N 2.9Å; T190-A217 WeakPolarHBondContact CA-O 3.48Å; T190-A217 HydrophobicContact CG2-CB 4.38Å; A217-K219 PolarHBondContact O-N 2.97Å; A217-G220 WeakPolarHBondContact O-CA 3.1Å; A217-G220 PolarHBondContact O-N 2.93Å; A217-K221 PolarHBondContact O-N 3.07Å
218G97.6Very high98.2Very high71 Ų7141.4 Ų41.473%0.73223%0.231SC*.G310 helixtrans57.9-122.6179.200000111.9
219K96.2Very high98.2Very high147 Ų14738.9 Ų38.964%0.63921%0.205SC*.G310 helixtrans-71.5-31.1174.5-67.9-173.2174.2-170.20113.1A217 K221A217-K219 PolarHBondContact O-N 2.97Å; K219-K221 PolarHBondContact O-N 3.13Å
220G97.5Very high98.2Very high1 Ų141.4 Ų41.41%0.0121%0.208CC..G310 helixtrans-75.53.3177.500000114.4T190 T191 A217 Y222 Y223T190-G220 PolarHBondContact O-N 3.38Å; T191-G220 WeakPolarHBondContact O-CA 3.38Å; A217-G220 WeakPolarHBondContact O-CA 3.1Å; A217-G220 PolarHBondContact O-N 2.93Å; G220-Y222 PolarHBondContact O-N 3.48Å; G220-Y223 WeakPolarHBondContact O-CA 3.35Å; G220-Y223 WeakPolarHBondContact O-CB 3.35Å; G220-Y223 PolarHBondContact O-N 3.01Å
221K98.1Very high98.3Very high95 Ų9543.3 Ų43.341%0.41322%0.218SC..THydrogen-bonded Turntrans-65128.8175.3-165.7-172.1-179.1-168.30110.6I215 A217 K219 Y223I215-K221 HydrophobicContact CD1-CG 4.18Å; I215-K221 HydrophobicContact CG1-CG 4.42Å; I215-K221 CarbonylContact O-C 3.57Å; I215-K221 WeakPolarHBondContact O-CA 3.5Å; A217-K221 PolarHBondContact O-N 3.07Å; K219-K221 PolarHBondContact O-N 3.13Å; K221-Y223 VanDerWaalsContact C-N 3.29Å; K221-Y223 WeakPolarHBondContact O-CD2 3.43Å
222Y98.3Very high98.3Very high53 Ų5342.5 Ų42.521%0.20821%0.214CC..THydrogen-bonded Turntrans73.14.7-167.6-48.3-72.5000115.6I215 G220 N370 M373 L374I215-Y222 HydrophobicContact CD1-CD1 4.11Å; I215-Y222 HydrophobicContact CD1-CE1 3.79Å; I215-Y222 PolarHBondContact O-N 2.91Å; G220-Y222 PolarHBondContact O-N 3.48Å; Y222-N370 HydrophobicContact CD1-CB 4.02Å; Y222-M373 HydrophobicContact CD1-CB 4.07Å; Y222-M373 HydrophobicContact CD1-CG 4.2Å; Y222-M373 HydrophobicContact CD2-CB 3.72Å; Y222-M373 HydrophobicContact CD2-CG 4.43Å; Y222-M373 HydrophobicContact CE1-CB 4.14Å; Y222-M373 HydrophobicContact CE1-CG 3.85Å; Y222-M373 HydrophobicContact CE2-CB 3.81Å; Y222-M373 HydrophobicContact CE2-CG 4.13Å; Y222-M373 HydrophobicContact CG-CB 3.87Å; Y222-M373 HydrophobicContact CG-CG 4.47Å; Y222-L374 WeakPolarHBondContact O-CD1 3.46Å
223Y98.5Very high98.3Very high20 Ų2041.4 Ų41.48%0.07821%0.208CC..  trans-101.1-2.2175.5-64.5-99.3000113.5D192 M195 T196 G220 K221 Y253 L374D192-Y223 HydrophobicContact CB-CD1 4.3Å; D192-Y223 HydrophobicContact CB-CD2 4.16Å; D192-Y223 HydrophobicContact CB-CE1 3.93Å; D192-Y223 HydrophobicContact CB-CE2 3.8Å; D192-Y223 HydrophobicContact CB-CG 4.42Å; D192-Y223 WeakPolarHBondContact O-CE1 3.4Å; M195-Y223 CarbonylContact C-O 3.51Å; M195-Y223 WeakPolarHBondContact CA-O 3.42Å; M195-Y223 HydrophobicContact CE-CD1 4.1Å; M195-Y223 WeakPolarHBondContact CG-O 3.46Å; T196-Y223 PolarHBondContact N-O 3.07Å; G220-Y223 WeakPolarHBondContact O-CA 3.35Å; G220-Y223 WeakPolarHBondContact O-CB 3.35Å; G220-Y223 PolarHBondContact O-N 3.01Å; K221-Y223 VanDerWaalsContact C-N 3.29Å; K221-Y223 WeakPolarHBondContact O-CD2 3.43Å; Y223-Y253 AromaticContact CD1-CD2 3.84Å; Y223-Y253 HydrophobicContact CD1-CD2 3.84Å; Y223-Y253 AromaticContact CD1-CE2 3.64Å; Y223-Y253 HydrophobicContact CD1-CE2 3.64Å; Y223-Y253 AromaticContact CE1-CD2 3.7Å; Y223-Y253 HydrophobicContact CE1-CD2 3.7Å; Y223-Y253 AromaticContact CE1-CE2 3.67Å; Y223-Y253 HydrophobicContact CE1-CE2 3.67Å; Y223-L374 HydrophobicContact CD1-CD2 4.43Å; Y223-L374 HydrophobicContact CE1-CD2 3.89Å; Y223-L374 HydrophobicContact CE1-CG 4.36Å; Y223-L374 HydrophobicContact CE2-CG 4.48Å
224A98.8Very high98.4Very high4 Ų434.7 Ų34.73%0.03319%0.186CC..EExtended strand (participates in β ladder)trans-102.7131.9160.700000109.7E185 Y189E185-A224 HydrophobicContact CG-CB 4.32Å; E185-A224 WeakPolarHBondContact OE2-CB 3.28Å; Y189-A224 HydrophobicContact CE2-CB 4.3Å
225V98.9Very high98.4Very high7 Ų733.4 Ų33.44%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-132.399.4-173.5-175.90000109.5M195 T196 V197 S198 L367 L371M195-V225 HydrophobicContact CE-CG2 4.37Å; M195-V225 HydrophobicContact CG-CG2 4.35Å; M195-V225 HydrophobicContact SD-CG2 4.2Å; T196-V225 PolarHBondContact O-N 3.45Å; V197-V225 WeakPolarHBondContact CA-O 3.44Å; V197-V225 HydrophobicContact CB-CB 4.39Å; V197-V225 HydrophobicContact CG1-CB 4.12Å; V197-V225 HydrophobicContact CG1-CG1 4.06Å; V197-V225 HydrophobicContact CG2-CB 4.09Å; V197-V225 HydrophobicContact CG2-CG2 4.38Å; S198-V225 PolarHBondContact N-O 2.85Å; V225-L367 HydrophobicContact CG1-CD1 4.32Å; V225-L367 HydrophobicContact CG1-CD2 4.12Å; V225-L371 HydrophobicContact CG2-CD2 4.11Å
226N98.9Very high98.4Very high2 Ų238.3 Ų38.31%0.01120%0.202CC..EExtended strand (participates in β ladder)trans-105.5124.6-175.3-73.6-55.2000112.5H180 E185 H200 D214 P228H180-N226 PolarHBondContact CD2-OD1 3.49Å; H180-N226 PolarHBondContact NE2-OD1 3.13Å; H180-N226 VanDerWaalsContact NE2-OD1 3.14Å; E185-N226 PolarHBondContact OE1-ND2 3.43Å; E185-N226 PolarHBondContact OE2-ND2 2.87Å; H200-N226 WeakPolarHBondContact NE2-CA 3.41Å; H200-N226 WeakPolarHBondContact NE2-CB 3.44Å; H200-N226 PolarHBondContact NE2-OD1 3.45Å; D214-N226 PolarHBondContact O-ND2 2.92Å; N226-P228 VanDerWaalsContact C-CD 3.49Å; N226-P228 WeakPolarHBondContact O-CD 3.21Å
227Y98.8Very high98.4Very high2 Ų238.6 Ų38.61%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-108.786.7175.9-153.9-56.6000109.8S198 F199 H200 L229 I241 I245 L360 I363 K364 L367S198-Y227 PolarHBondContact O-N 2.73Å; F199-Y227 HydrophobicContact CD1-CD2 4.05Å; F199-Y227 AromaticContact CD1-CG 3.83Å; F199-Y227 HydrophobicContact CD1-CG 3.83Å; F199-Y227 AromaticContact CE1-CD2 3.81Å; F199-Y227 HydrophobicContact CE1-CD2 3.81Å; F199-Y227 HydrophobicContact CE1-CG 4.08Å; H200-Y227 PolarHBondContact N-O 3.35Å; Y227-L229 HydrophobicContact CD1-CD2 3.55Å; Y227-L229 HydrophobicContact CD1-CG 4Å; Y227-L229 HydrophobicContact CE1-CD2 3.56Å; Y227-L229 HydrophobicContact CE1-CG 4.5Å; Y227-L229 PolarHBondContact O-N 3.01Å; Y227-I241 HydrophobicContact CD1-CD1 3.95Å; Y227-I241 HydrophobicContact CD2-CD1 4.42Å; Y227-I241 HydrophobicContact CE1-CD1 3.59Å; Y227-I241 HydrophobicContact CE2-CB 3.9Å; Y227-I241 HydrophobicContact CE2-CD1 4.1Å; Y227-I241 HydrophobicContact CE2-CG1 4.47Å; Y227-I241 HydrophobicContact CE2-CG2 4.36Å; Y227-I241 HydrophobicContact CG-CD1 4.37Å; Y227-I241 VanDerWaalsContact OH-CG2 3.25Å; Y227-I241 WeakPolarHBondContact OH-CG2 3.38Å; Y227-I245 HydrophobicContact CD2-CD1 4.29Å; Y227-I245 HydrophobicContact CD2-CG1 4.04Å; Y227-I245 HydrophobicContact CE2-CD1 4.25Å; Y227-I245 HydrophobicContact CE2-CG1 3.98Å; Y227-L360 HydrophobicContact CE1-CD2 3.86Å; Y227-L360 WeakPolarHBondContact OH-CA 3.29Å; Y227-L360 PolarHBondContact OH-O 3.45Å; Y227-I363 HydrophobicContact CD1-CG2 3.77Å; Y227-I363 HydrophobicContact CD2-CG2 4.04Å; Y227-I363 HydrophobicContact CE1-CB 4Å; Y227-I363 HydrophobicContact CE1-CD1 4.22Å; Y227-I363 HydrophobicContact CE1-CG2 3.57Å; Y227-I363 HydrophobicContact CE2-CG2 3.86Å; Y227-I363 HydrophobicContact CG-CG2 3.98Å; Y227-K364 HydrophobicContact CE2-CB 4.34Å; Y227-L367 HydrophobicContact CD2-CD1 3.42Å; Y227-L367 VanDerWaalsContact CD2-CD1 3.42Å; Y227-L367 HydrophobicContact CE2-CD1 4.05Å; Y227-L367 HydrophobicContact CG-CD1 4.02Å
228P98.8Very high98.4Very high7 Ų736.8 Ų36.85%0.04519%0.186CC..EExtended strand (participates in β ladder)trans-70.5127.9179.126.4-33.9000111.4Y202 L212 N226 Y359 I363Y202-P228 HydrophobicContact CD1-CB 3.83Å; Y202-P228 HydrophobicContact CG-CB 3.74Å; L212-P228 HydrophobicContact CB-CG 3.99Å; N226-P228 VanDerWaalsContact C-CD 3.49Å; N226-P228 WeakPolarHBondContact O-CD 3.21Å; P228-Y359 PolarHBondContact O-OH 2.89Å; P228-I363 HydrophobicContact CG-CD1 4.23Å; P228-I363 VanDerWaalsContact O-CD1 3.24Å; P228-I363 WeakPolarHBondContact O-CD1 3.47Å
229L98.8Very high98.5Very high0 Ų036 Ų360%016%0.164CC..EExtended strand (participates in β ladder)trans-119.4165.2-177.3-64.8173.8000112.5H200 K201 Y202 Y227 I233 Y238 I241 F275 L360H200-L229 WeakPolarHBondContact O-CB 3.22Å; H200-L229 PolarHBondContact O-N 2.95Å; K201-L229 WeakPolarHBondContact CA-O 3.42Å; Y202-L229 PolarHBondContact N-O 2.7Å; Y227-L229 HydrophobicContact CD1-CD2 3.55Å; Y227-L229 HydrophobicContact CD1-CG 4Å; Y227-L229 HydrophobicContact CE1-CD2 3.56Å; Y227-L229 HydrophobicContact CE1-CG 4.5Å; Y227-L229 PolarHBondContact O-N 3.01Å; L229-I233 HydrophobicContact CD1-CD1 3.92Å; L229-I233 HydrophobicContact CD2-CD1 3.86Å; L229-I233 HydrophobicContact CG-CD1 4.47Å; L229-Y238 HydrophobicContact CD1-CD2 4.35Å; L229-Y238 HydrophobicContact CD1-CE2 4.09Å; L229-I241 HydrophobicContact CD1-CD1 4.4Å; L229-I241 HydrophobicContact CD2-CD1 3.86Å; L229-F275 HydrophobicContact CB-CE1 4.05Å; L229-F275 HydrophobicContact CB-CZ 3.73Å; L229-F275 HydrophobicContact CD1-CE2 3.96Å; L229-F275 HydrophobicContact CD1-CZ 3.64Å; L229-F275 HydrophobicContact CG-CZ 4.33Å; L229-L360 HydrophobicContact CD2-CD2 3.72Å
230R98.7Very high98.6Very high112 Ų11231.6 Ų31.642%0.42316%0.155SC..  trans-111.1171.1173.5-60.2176.8173.1-169.2-6.8110.8Q354 N355 Y359R230-Q354 HydrophobicContact CB-CB 3.84Å; R230-N355 PolarHBondContact N-OD1 2.96Å; R230-N355 PolarHBondContact O-ND2 2.99Å; R230-Y359 HydrophobicContact CG-CE1 4.08Å
231D98.7Very high98.7Very high40 Ų4031.7 Ų31.721%0.21416%0.155CC..THydrogen-bonded Turntrans-58.2152-177.2-40.6-16.8000113K201 I233 C274 Q354 N355K201-D231 WeakPolarHBondContact CE-OD1 3.26Å; K201-D231 IonicContact NZ-OD1 2.72Å; K201-D231 PolarHBondContact NZ-OD1 3.13Å; D231-I233 PolarHBondContact O-N 3.47Å; D231-C274 WeakPolarHBondContact CA-O 3.37Å; D231-Q354 PolarHBondContact O-N 3.34Å; D231-Q354 PolarHBondContact OD2-NE2 3.1Å; D231-Q354 VanDerWaalsContact OD2-NE2 3.07Å; D231-N355 PolarHBondContact O-ND2 3.05Å
232G98.5Very high98.7Very high0 Ų027.3 Ų27.30%014%0.136CC..THydrogen-bonded Turntrans75.816.4167.800000116.3D234 C274 M351 N353G232-D234 PolarHBondContact O-N 3.18Å; G232-C274 PolarHBondContact N-O 3.23Å; G232-M351 VanDerWaalsContact CA-SD 3.51Å; G232-N353 VanDerWaalsContact O-CA 3.24Å; G232-N353 WeakPolarHBondContact O-CA 3.35Å; G232-N353 WeakPolarHBondContact O-CB 3.35Å
233I98.8Very high98.7Very high0 Ų027.5 Ų27.50%014%0.138CC..  trans-56.5134.7175.8-164.7163.2000111.4L229 D231 Y238 I241 F275 N276 L277L229-I233 HydrophobicContact CD1-CD1 3.92Å; L229-I233 HydrophobicContact CD2-CD1 3.86Å; L229-I233 HydrophobicContact CG-CD1 4.47Å; D231-I233 PolarHBondContact O-N 3.47Å; I233-Y238 HydrophobicContact CD1-CD2 3.95Å; I233-Y238 HydrophobicContact CG1-CD2 4.4Å; I233-Y238 HydrophobicContact CG2-CD2 4.05Å; I233-I241 HydrophobicContact CD1-CD1 4.1Å; I233-F275 HydrophobicContact CG2-CB 4.06Å; I233-F275 HydrophobicContact CG2-CD1 3.73Å; I233-F275 HydrophobicContact CG2-CD2 3.56Å; I233-F275 HydrophobicContact CG2-CE1 4.01Å; I233-F275 HydrophobicContact CG2-CE2 3.88Å; I233-F275 HydrophobicContact CG2-CG 3.5Å; I233-F275 HydrophobicContact CG2-CZ 4.1Å; I233-N276 CarbonylContact O-C 3.47Å; I233-N276 WeakPolarHBondContact O-CA 3.32Å; I233-N276 WeakPolarHBondContact O-CB 3.39Å; I233-N276 PolarHBondContact O-N 2.91Å; I233-L277 HydrophobicContact CG2-CD2 4.3Å
234D98.6Very high98.7Very high43 Ų4328.7 Ų28.723%0.2315%0.148CC..  trans-101.1167.7-17951.847.7000112.6G232 E236 S237 Y238 N353G232-D234 PolarHBondContact O-N 3.18Å; D234-E236 VanDerWaalsContact C-N 3.29Å; D234-E236 PolarHBondContact O-N 3.05Å; D234-S237 PolarHBondContact O-N 2.68Å; D234-S237 WeakPolarHBondContact OD1-CB 3.43Å; D234-S237 PolarHBondContact OD1-N 3.08Å; D234-S237 PolarHBondContact OD1-OG 3.46Å; D234-Y238 WeakPolarHBondContact O-CB 3.45Å; D234-Y238 PolarHBondContact O-N 3.17Å; D234-N353 VanDerWaalsContact CG-ND2 3.31Å; D234-N353 PolarHBondContact OD2-ND2 2.96Å
235D98.8Very high98.7Very high18 Ų1828.5 Ų28.510%0.09615%0.146CC..Hα-helixtrans-55.6-42.8-177.6-73.23.2000112.1E239 L277 T278 G281D235-E239 VanDerWaalsContact O-CB 3.3Å; D235-E239 WeakPolarHBondContact O-CB 3.43Å; D235-E239 PolarHBondContact O-N 3.14Å; D235-L277 WeakPolarHBondContact OD1-CA 3.45Å; D235-T278 PolarHBondContact OD1-N 2.76Å; D235-T278 WeakPolarHBondContact OD2-CB 3.4Å; D235-T278 WeakPolarHBondContact OD2-CG2 3.33Å; D235-T278 PolarHBondContact OD2-OG1 2.84Å; D235-G281 WeakPolarHBondContact OD1-CA 3.43Å; D235-G281 WeakPolarHBondContact OD2-CA 3.37Å; D235-G281 PolarHBondContact OD2-N 3.36Å
236E98.5Very high98.7Very high134 Ų13428.1 Ų28.163%0.62614%0.144SC*.Hα-helixtrans-66.6-47-178.8-69.272.7-161.300111.8D234 A240D234-E236 VanDerWaalsContact C-N 3.29Å; D234-E236 PolarHBondContact O-N 3.05Å; E236-A240 VanDerWaalsContact O-CB 3.23Å; E236-A240 WeakPolarHBondContact O-CB 3.24Å; E236-A240 PolarHBondContact O-N 3.02Å
237S98.7Very high98.7Very high14 Ų1429.9 Ų29.910%0.09816%0.159CC..Hα-helixtrans-64.2-43.8177.8-60.80000111.4D234 A240 I241 N353D234-S237 PolarHBondContact O-N 2.68Å; D234-S237 WeakPolarHBondContact OD1-CB 3.43Å; D234-S237 PolarHBondContact OD1-N 3.08Å; D234-S237 PolarHBondContact OD1-OG 3.46Å; S237-A240 PolarHBondContact O-N 3.35Å; S237-I241 PolarHBondContact O-N 3.08Å; S237-N353 PolarHBondContact OG-ND2 3.04Å
238Y98.9Very high98.7Very high2 Ų231 Ų311%0.00816%0.164CC..Hα-helixtrans-66.7-45.6-178.9-158.3-78.3000111.3I176 F199 L229 I233 D234 A240 I241 F242 F275 L277I176-Y238 WeakPolarHBondContact CB-OH 3.33Å; I176-Y238 HydrophobicContact CG2-CE1 4.5Å; I176-Y238 WeakPolarHBondContact CG2-OH 2.55Å; F199-Y238 HydrophobicContact CB-CE2 4.25Å; F199-Y238 WeakPolarHBondContact CB-OH 3.5Å; L229-Y238 HydrophobicContact CD1-CD2 4.35Å; L229-Y238 HydrophobicContact CD1-CE2 4.09Å; I233-Y238 HydrophobicContact CD1-CD2 3.95Å; I233-Y238 HydrophobicContact CG1-CD2 4.4Å; I233-Y238 HydrophobicContact CG2-CD2 4.05Å; D234-Y238 WeakPolarHBondContact O-CB 3.45Å; D234-Y238 PolarHBondContact O-N 3.17Å; Y238-A240 VanDerWaalsContact C-N 3.32Å; Y238-A240 PolarHBondContact O-N 3.34Å; Y238-I241 WeakPolarHBondContact O-CG1 3.46Å; Y238-I241 PolarHBondContact O-N 2.86Å; Y238-F242 HydrophobicContact CD1-CB 4.12Å; Y238-F242 HydrophobicContact CE1-CB 4.21Å; Y238-F242 AromaticContact CE1-CD2 3.95Å; Y238-F242 HydrophobicContact CE1-CD2 3.95Å; Y238-F242 HydrophobicContact CE1-CG 4.33Å; Y238-F242 WeakPolarHBondContact O-CB 3.33Å; Y238-F242 PolarHBondContact O-N 3.23Å; Y238-F275 HydrophobicContact CE2-CE2 4.24Å; Y238-L277 HydrophobicContact CD2-CD1 3.87Å; Y238-L277 HydrophobicContact CD2-CD2 3.99Å; Y238-L277 HydrophobicContact CD2-CG 4.47Å; Y238-L277 HydrophobicContact CE2-CD1 4Å; Y238-L277 HydrophobicContact CG-CD1 4.19Å; Y238-L277 HydrophobicContact CG-CD2 3.98Å
239E98.8Very high98.7Very high55 Ų5530.7 Ų30.726%0.25716%0.162SC..Hα-helixtrans-60.8-40.4175.4-178.4174.6-161.200112.2D235 I241 K243 K284D235-E239 VanDerWaalsContact O-CB 3.3Å; D235-E239 WeakPolarHBondContact O-CB 3.43Å; D235-E239 PolarHBondContact O-N 3.14Å; E239-I241 PolarHBondContact O-N 2.84Å; E239-K243 HydrophobicContact CG-CD 3.83Å; E239-K243 HydrophobicContact CG-CG 4.23Å; E239-K243 PolarHBondContact O-N 2.97Å; E239-K243 VanDerWaalsContact OE1-CE 3.28Å; E239-K243 WeakPolarHBondContact OE1-CE 3.42Å; E239-K243 IonicContact OE1-NZ 3.94Å; E239-K243 PolarHBondContact OE1-NZ 2.98Å; E239-K284 WeakPolarHBondContact OE2-CD 3.4Å; E239-K284 WeakPolarHBondContact OE2-CE 3.31Å; E239-K284 IonicContact OE2-NZ 3.46Å; E239-K284 PolarHBondContact OE2-NZ 3.45Å
240A98.5Very high98.6Very high55 Ų5531.5 Ų31.546%0.45517%0.166SC..Hα-helixtrans-67.4-17.4-179.600000114.4E236 S237 Y238 P244E236-A240 VanDerWaalsContact O-CB 3.23Å; E236-A240 WeakPolarHBondContact O-CB 3.24Å; E236-A240 PolarHBondContact O-N 3.02Å; S237-A240 PolarHBondContact O-N 3.35Å; Y238-A240 VanDerWaalsContact C-N 3.32Å; Y238-A240 PolarHBondContact O-N 3.34Å; A240-P244 WeakPolarHBondContact O-CD 3.17Å; A240-P244 WeakPolarHBondContact O-CG 3.45Å
241I98.6Very high98.5Very high2 Ų231.4 Ų31.41%0.0117%0.17CC..Hα-helixtrans-103.1-40.6173.565.4171000112.3F199 Y227 L229 I233 S237 Y238 E239 P244 I245 L360F199-I241 HydrophobicContact CD1-CD1 4.34Å; Y227-I241 HydrophobicContact CD1-CD1 3.95Å; Y227-I241 HydrophobicContact CD2-CD1 4.42Å; Y227-I241 HydrophobicContact CE1-CD1 3.59Å; Y227-I241 HydrophobicContact CE2-CB 3.9Å; Y227-I241 HydrophobicContact CE2-CD1 4.1Å; Y227-I241 HydrophobicContact CE2-CG1 4.47Å; Y227-I241 HydrophobicContact CE2-CG2 4.36Å; Y227-I241 HydrophobicContact CG-CD1 4.37Å; Y227-I241 VanDerWaalsContact OH-CG2 3.25Å; Y227-I241 WeakPolarHBondContact OH-CG2 3.38Å; L229-I241 HydrophobicContact CD1-CD1 4.4Å; L229-I241 HydrophobicContact CD2-CD1 3.86Å; I233-I241 HydrophobicContact CD1-CD1 4.1Å; S237-I241 PolarHBondContact O-N 3.08Å; Y238-I241 WeakPolarHBondContact O-CG1 3.46Å; Y238-I241 PolarHBondContact O-N 2.86Å; E239-I241 PolarHBondContact O-N 2.84Å; I241-P244 WeakPolarHBondContact O-CD 3.17Å; I241-I245 WeakPolarHBondContact O-CB 3.49Å; I241-I245 VanDerWaalsContact O-CG1 3.24Å; I241-I245 WeakPolarHBondContact O-CG1 3.28Å; I241-I245 PolarHBondContact O-N 3.23Å; I241-I245 VanDerWaalsContact O-N 3.13Å; I241-L360 HydrophobicContact CD1-CD2 4.26Å; I241-L360 HydrophobicContact CG2-CB 3.99Å; I241-L360 HydrophobicContact CG2-CD1 4.14Å; I241-L360 HydrophobicContact CG2-CD2 4.26Å; I241-L360 HydrophobicContact CG2-CG 4.36Å
242F98.9Very high98.4Very high3 Ų329.7 Ų29.71%0.01316%0.161CC..Hα-helixtrans-64.2-52.3-175.8-175.6-92.2000110.8I174 I176 F199 Y238 I245 M246 C285 Y288 I289I174-F242 HydrophobicContact CG2-CE2 4.02Å; I174-F242 HydrophobicContact CG2-CZ 4.23Å; I176-F242 HydrophobicContact CG2-CD2 4.4Å; I176-F242 HydrophobicContact CG2-CE2 3.76Å; F199-F242 AromaticContact CD2-CD2 3.96Å; F199-F242 HydrophobicContact CD2-CD2 3.96Å; F199-F242 HydrophobicContact CD2-CE2 4.15Å; F199-F242 HydrophobicContact CE1-CD2 4.27Å; F199-F242 AromaticContact CE2-CD2 3.53Å; F199-F242 HydrophobicContact CE2-CD2 3.53Å; F199-F242 AromaticContact CE2-CE2 3.73Å; F199-F242 HydrophobicContact CE2-CE2 3.73Å; F199-F242 HydrophobicContact CG-CD2 4.49Å; F199-F242 AromaticContact CZ-CD2 3.7Å; F199-F242 HydrophobicContact CZ-CD2 3.7Å; F199-F242 HydrophobicContact CZ-CE2 4.31Å; F199-F242 HydrophobicContact CZ-CG 4.44Å; Y238-F242 HydrophobicContact CD1-CB 4.12Å; Y238-F242 HydrophobicContact CE1-CB 4.21Å; Y238-F242 AromaticContact CE1-CD2 3.95Å; Y238-F242 HydrophobicContact CE1-CD2 3.95Å; Y238-F242 HydrophobicContact CE1-CG 4.33Å; Y238-F242 WeakPolarHBondContact O-CB 3.33Å; Y238-F242 PolarHBondContact O-N 3.23Å; F242-I245 PolarHBondContact O-N 2.87Å; F242-M246 HydrophobicContact CD1-CG 4.05Å; F242-M246 HydrophobicContact CD2-CG 4.08Å; F242-M246 HydrophobicContact CE1-CB 4.46Å; F242-M246 HydrophobicContact CE1-CG 3.81Å; F242-M246 HydrophobicContact CE2-CG 3.84Å; F242-M246 HydrophobicContact CE2-SD 4.49Å; F242-M246 HydrophobicContact CG-CG 4.19Å; F242-M246 HydrophobicContact CZ-CG 3.7Å; F242-M246 WeakPolarHBondContact O-CB 3.47Å; F242-M246 VanDerWaalsContact O-CG 3.31Å; F242-M246 WeakPolarHBondContact O-CG 3.47Å; F242-M246 PolarHBondContact O-N 3.06Å; F242-C285 HydrophobicContact CD1-CB 4.26Å; F242-C285 HydrophobicContact CE1-CB 3.73Å; F242-C285 HydrophobicContact CE2-CB 4.08Å; F242-C285 HydrophobicContact CZ-CB 3.63Å; F242-Y288 HydrophobicContact CD1-CD1 4.2Å; F242-Y288 HydrophobicContact CE1-CD1 4.03Å; F242-I289 HydrophobicContact CE1-CD1 4.03Å; F242-I289 HydrophobicContact CE1-CG1 4.02Å; F242-I289 HydrophobicContact CZ-CD1 3.97Å; F242-I289 HydrophobicContact CZ-CG1 3.82Å
243K98.7Very high98.4Very high57 Ų5729.9 Ų29.925%0.24816%0.162CC..Hα-helixtrans-60.4-48.3-176.8-68.8-173.1170.7174.40112.5E239 A247 Y288E239-K243 HydrophobicContact CG-CD 3.83Å; E239-K243 HydrophobicContact CG-CG 4.23Å; E239-K243 PolarHBondContact O-N 2.97Å; E239-K243 VanDerWaalsContact OE1-CE 3.28Å; E239-K243 WeakPolarHBondContact OE1-CE 3.42Å; E239-K243 IonicContact OE1-NZ 3.94Å; E239-K243 PolarHBondContact OE1-NZ 2.98Å; K243-A247 VanDerWaalsContact O-CB 3.24Å; K243-A247 WeakPolarHBondContact O-CB 3.48Å; K243-A247 PolarHBondContact O-N 3.2Å; K243-Y288 HydrophobicContact CB-CD1 4.36Å; K243-Y288 HydrophobicContact CB-CE1 4.05Å; K243-Y288 HydrophobicContact CB-CE2 4.29Å; K243-Y288 HydrophobicContact CD-CD2 3.88Å; K243-Y288 HydrophobicContact CD-CE2 4.14Å; K243-Y288 HydrophobicContact CD-CG 4.22Å; K243-Y288 HydrophobicContact CG-CD1 3.88Å; K243-Y288 HydrophobicContact CG-CD2 3.85Å; K243-Y288 HydrophobicContact CG-CE1 4.06Å; K243-Y288 HydrophobicContact CG-CE2 4.04Å; K243-Y288 HydrophobicContact CG-CG 3.77Å; K243-Y288 WeakPolarHBondContact O-CE1 3.46Å; K243-Y288 PolarHBondContact O-OH 3.45Å
244P98.6Very high98.3Very high45 Ų4534.1 Ų34.129%0.29218%0.181SC..Hα-helixtrans-66.2-38.4177.6-25.637.5000114.8A240 I241 K248 K364 F368A240-P244 WeakPolarHBondContact O-CD 3.17Å; A240-P244 WeakPolarHBondContact O-CG 3.45Å; I241-P244 WeakPolarHBondContact O-CD 3.17Å; P244-K248 PolarHBondContact O-N 2.9Å; P244-K364 HydrophobicContact CB-CD 4.11Å; P244-F368 HydrophobicContact CB-CE1 4.47Å; P244-F368 HydrophobicContact CB-CZ 4.08Å; P244-F368 WeakPolarHBondContact O-CZ 3.36Å
245I98.8Very high98.2Very high0 Ų032.6 Ų32.60%017%0.174CC..Hα-helixtrans-64.8-51176.3-70.4-75.1000109.8V197 F199 Y227 I241 F242 A247 K248 V249 K364 L367 F368V197-I245 HydrophobicContact CG1-CG2 4.31Å; F199-I245 HydrophobicContact CE1-CB 4.33Å; F199-I245 HydrophobicContact CE1-CG2 4.26Å; F199-I245 HydrophobicContact CZ-CB 4.05Å; F199-I245 HydrophobicContact CZ-CG2 3.71Å; Y227-I245 HydrophobicContact CD2-CD1 4.29Å; Y227-I245 HydrophobicContact CD2-CG1 4.04Å; Y227-I245 HydrophobicContact CE2-CD1 4.25Å; Y227-I245 HydrophobicContact CE2-CG1 3.98Å; I241-I245 WeakPolarHBondContact O-CB 3.49Å; I241-I245 VanDerWaalsContact O-CG1 3.24Å; I241-I245 WeakPolarHBondContact O-CG1 3.28Å; I241-I245 PolarHBondContact O-N 3.23Å; I241-I245 VanDerWaalsContact O-N 3.13Å; F242-I245 PolarHBondContact O-N 2.87Å; I245-A247 VanDerWaalsContact C-N 3.34Å; I245-A247 PolarHBondContact O-N 2.92Å; I245-K248 PolarHBondContact O-N 2.92Å; I245-V249 HydrophobicContact CG2-CG2 4.32Å; I245-V249 WeakPolarHBondContact O-CG2 3.3Å; I245-V249 PolarHBondContact O-N 3.4Å; I245-K364 HydrophobicContact CD1-CG 4.13Å; I245-K364 HydrophobicContact CG1-CG 4.4Å; I245-L367 HydrophobicContact CD1-CB 3.68Å; I245-L367 HydrophobicContact CD1-CD1 3.8Å; I245-L367 HydrophobicContact CD1-CG 4.4Å; I245-F368 HydrophobicContact CD1-CD1 3.99Å; I245-F368 HydrophobicContact CD1-CE1 3.9Å; I245-F368 HydrophobicContact CG1-CE1 4.47Å
246M98.8Very high98.2Very high0 Ų033.6 Ų33.60%018%0.183CC..Hα-helixtrans-67.6-33.8-177.7-63.6-45.8-51.400112.6L172 I174 V197 F199 F242 K248 V249 M250 Y288 I289L172-M246 HydrophobicContact CD2-CE 3.82Å; I174-M246 HydrophobicContact CD1-CE 3.56Å; I174-M246 HydrophobicContact CG1-CE 3.76Å; I174-M246 HydrophobicContact CG2-CE 4.43Å; I174-M246 HydrophobicContact CG2-SD 4.35Å; V197-M246 HydrophobicContact CB-SD 4.31Å; V197-M246 HydrophobicContact CG1-SD 3.79Å; V197-M246 HydrophobicContact CG2-CE 4.47Å; F199-M246 HydrophobicContact CE2-CG 4.43Å; F199-M246 HydrophobicContact CE2-SD 3.88Å; F199-M246 HydrophobicContact CZ-CG 4.36Å; F199-M246 HydrophobicContact CZ-SD 4.08Å; F242-M246 HydrophobicContact CD1-CG 4.05Å; F242-M246 HydrophobicContact CD2-CG 4.08Å; F242-M246 HydrophobicContact CE1-CB 4.46Å; F242-M246 HydrophobicContact CE1-CG 3.81Å; F242-M246 HydrophobicContact CE2-CG 3.84Å; F242-M246 HydrophobicContact CE2-SD 4.49Å; F242-M246 HydrophobicContact CG-CG 4.19Å; F242-M246 HydrophobicContact CZ-CG 3.7Å; F242-M246 WeakPolarHBondContact O-CB 3.47Å; F242-M246 VanDerWaalsContact O-CG 3.31Å; F242-M246 WeakPolarHBondContact O-CG 3.47Å; F242-M246 PolarHBondContact O-N 3.06Å; M246-K248 VanDerWaalsContact C-N 3.33Å; M246-K248 PolarHBondContact O-N 3.35Å; M246-V249 HydrophobicContact CE-CB 4.09Å; M246-V249 HydrophobicContact CE-CG1 3.88Å; M246-V249 HydrophobicContact CE-CG2 4.49Å; M246-V249 PolarHBondContact O-N 3.46Å; M246-M250 WeakPolarHBondContact O-CB 3.47Å; M246-M250 WeakPolarHBondContact O-CG 3.44Å; M246-M250 PolarHBondContact O-N 2.95Å; M246-Y288 HydrophobicContact CB-CD1 4.26Å; M246-Y288 HydrophobicContact CB-CE1 3.94Å; M246-I289 HydrophobicContact CB-CD1 4.05Å; M246-I289 HydrophobicContact CE-CD1 4.15Å; M246-I289 HydrophobicContact CG-CD1 4.08Å
247A98.6Very high98.2Very high38 Ų3827.2 Ų27.231%0.31415%0.153SC..Hα-helixtrans-56.2-47.3168.500000111.7K243 I245 M250 E251 Y288K243-A247 VanDerWaalsContact O-CB 3.24Å; K243-A247 WeakPolarHBondContact O-CB 3.48Å; K243-A247 PolarHBondContact O-N 3.2Å; I245-A247 VanDerWaalsContact C-N 3.34Å; I245-A247 PolarHBondContact O-N 2.92Å; A247-M250 PolarHBondContact O-N 2.8Å; A247-E251 WeakPolarHBondContact O-CB 3.45Å; A247-E251 PolarHBondContact O-N 3.15Å; A247-Y288 WeakPolarHBondContact CB-OH 3.36Å
248K98.2Very high98.3Very high27 Ų2726.7 Ų26.712%0.11715%0.149CC..Hα-helixtrans-72.3-36-177.9-168.551170.8167.60112.4P244 I245 M246 E251 M252 F368 L371P244-K248 PolarHBondContact O-N 2.9Å; I245-K248 PolarHBondContact O-N 2.92Å; M246-K248 VanDerWaalsContact C-N 3.33Å; M246-K248 PolarHBondContact O-N 3.35Å; K248-E251 HydrophobicContact CD-CB 4.48Å; K248-E251 WeakPolarHBondContact CD-OE2 3.41Å; K248-E251 IonicContact NZ-OE1 3.73Å; K248-E251 PolarHBondContact NZ-OE1 3.44Å; K248-E251 IonicContact NZ-OE2 3.84Å; K248-E251 PolarHBondContact NZ-OE2 3.18Å; K248-E251 PolarHBondContact O-N 3.23Å; K248-M252 HydrophobicContact CD-CG 3.82Å; K248-M252 HydrophobicContact CD-SD 4.35Å; K248-M252 HydrophobicContact CG-CG 4.22Å; K248-M252 PolarHBondContact NZ-SD 3.41Å; K248-M252 WeakPolarHBondContact O-CB 3.33Å; K248-M252 WeakPolarHBondContact O-CG 3.39Å; K248-M252 PolarHBondContact O-N 2.69Å; K248-F368 HydrophobicContact CB-CE1 4.16Å; K248-F368 HydrophobicContact CB-CE2 4.5Å; K248-F368 HydrophobicContact CB-CZ 4.08Å; K248-L371 HydrophobicContact CB-CD1 4.05Å; K248-L371 HydrophobicContact CG-CB 4.13Å; K248-L371 HydrophobicContact CG-CD1 3.9Å
249V98.5Very high98.3Very high0 Ų026.6 Ų26.60%015%0.149CC..Hα-helixtrans-58.3-51.9170.2164.60000110.4L172 M195 V197 I245 M246 E251 M252 Y253 L371L172-V249 HydrophobicContact CD1-CG1 3.63Å; L172-V249 HydrophobicContact CD2-CG1 3.79Å; L172-V249 HydrophobicContact CG-CG1 4.39Å; M195-V249 HydrophobicContact SD-CB 4.45Å; M195-V249 HydrophobicContact SD-CG1 3.7Å; M195-V249 HydrophobicContact SD-CG2 4.2Å; V197-V249 HydrophobicContact CG2-CG1 4.22Å; V197-V249 HydrophobicContact CG2-CG2 4.04Å; I245-V249 HydrophobicContact CG2-CG2 4.32Å; I245-V249 WeakPolarHBondContact O-CG2 3.3Å; I245-V249 PolarHBondContact O-N 3.4Å; M246-V249 HydrophobicContact CE-CB 4.09Å; M246-V249 HydrophobicContact CE-CG1 3.88Å; M246-V249 HydrophobicContact CE-CG2 4.49Å; M246-V249 PolarHBondContact O-N 3.46Å; V249-E251 VanDerWaalsContact C-N 3.34Å; V249-E251 PolarHBondContact O-N 3.24Å; V249-M252 PolarHBondContact O-N 3.07Å; V249-Y253 VanDerWaalsContact O-CB 3.23Å; V249-Y253 WeakPolarHBondContact O-CB 3.41Å; V249-Y253 PolarHBondContact O-N 2.93Å; V249-L371 HydrophobicContact CG2-CD1 3.95Å; V249-L371 HydrophobicContact CG2-CD2 4.01Å
250M98Very high98.3Very high16 Ų1624 Ų248%0.07914%0.136CC..Hα-helixtrans-61.7-39.8179.9-67.6-71-172.300112.3L172 M246 A247 Q254 P255 V258 I289 F292 L294L172-M250 HydrophobicContact CD2-CE 3.58Å; L172-M250 HydrophobicContact CD2-SD 3.91Å; M246-M250 WeakPolarHBondContact O-CB 3.47Å; M246-M250 WeakPolarHBondContact O-CG 3.44Å; M246-M250 PolarHBondContact O-N 2.95Å; A247-M250 PolarHBondContact O-N 2.8Å; M250-Q254 WeakPolarHBondContact O-CA 3.06Å; M250-Q254 PolarHBondContact O-N 2.81Å; M250-Q254 VanDerWaalsContact O-N 3.14Å; M250-P255 HydrophobicContact SD-CG 3.57Å; M250-P255 VanDerWaalsContact SD-CG 3.57Å; M250-V258 HydrophobicContact CE-CG2 4.1Å; M250-I289 HydrophobicContact CE-CD1 4.17Å; M250-F292 HydrophobicContact CB-CD1 3.94Å; M250-F292 HydrophobicContact CB-CE1 3.64Å; M250-F292 HydrophobicContact CB-CZ 4.18Å; M250-F292 HydrophobicContact CE-CB 4.26Å; M250-F292 HydrophobicContact CE-CD2 3.91Å; M250-F292 HydrophobicContact CE-CE2 4.41Å; M250-F292 HydrophobicContact CE-CG 4.01Å; M250-F292 HydrophobicContact CG-CD1 3.73Å; M250-F292 HydrophobicContact CG-CD2 4.2Å; M250-F292 HydrophobicContact CG-CE1 3.6Å; M250-F292 HydrophobicContact CG-CE2 4.09Å; M250-F292 HydrophobicContact CG-CG 4.03Å; M250-F292 HydrophobicContact CG-CZ 3.79Å; M250-F292 HydrophobicContact SD-CB 4.49Å; M250-F292 HydrophobicContact SD-CD1 4.27Å; M250-F292 HydrophobicContact SD-CG 4.19Å; M250-L294 HydrophobicContact SD-CD1 4.27Å
251E96.5Very high98.3Very high110 Ų11021.4 Ų21.451%0.51412%0.115SC..Hα-helixtrans-62-47176-171.1-157.5145.900112.9A247 K248 V249 Q254A247-E251 WeakPolarHBondContact O-CB 3.45Å; A247-E251 PolarHBondContact O-N 3.15Å; K248-E251 HydrophobicContact CD-CB 4.48Å; K248-E251 WeakPolarHBondContact CD-OE2 3.41Å; K248-E251 IonicContact NZ-OE1 3.73Å; K248-E251 PolarHBondContact NZ-OE1 3.44Å; K248-E251 IonicContact NZ-OE2 3.84Å; K248-E251 PolarHBondContact NZ-OE2 3.18Å; K248-E251 PolarHBondContact O-N 3.23Å; V249-E251 VanDerWaalsContact C-N 3.34Å; V249-E251 PolarHBondContact O-N 3.24Å; E251-Q254 WeakPolarHBondContact O-CG 3.23Å; E251-Q254 PolarHBondContact O-NE2 3.22Å
252M96.3Very high98.3Very high5 Ų521.3 Ų21.33%0.02511%0.114CC..Hα-helixtrans-85.7-43.6-172-64.3-57-56.500113.1K248 V249 L371 L374 H376K248-M252 HydrophobicContact CD-CG 3.82Å; K248-M252 HydrophobicContact CD-SD 4.35Å; K248-M252 HydrophobicContact CG-CG 4.22Å; K248-M252 PolarHBondContact NZ-SD 3.41Å; K248-M252 WeakPolarHBondContact O-CB 3.33Å; K248-M252 WeakPolarHBondContact O-CG 3.39Å; K248-M252 PolarHBondContact O-N 2.69Å; V249-M252 PolarHBondContact O-N 3.07Å; M252-L371 VanDerWaalsContact CE-O 3.26Å; M252-L371 WeakPolarHBondContact CE-O 3.38Å; M252-L371 HydrophobicContact CG-CB 4.45Å; M252-L374 HydrophobicContact CB-CB 4.44Å; M252-L374 HydrophobicContact CB-CD2 4.39Å; M252-L374 HydrophobicContact CE-CB 4.07Å; M252-H376 WeakPolarHBondContact CE-CE1 3.25Å; M252-H376 WeakPolarHBondContact CE-ND1 3.41Å
253Y97.5Very high98.3Very high4 Ų421.1 Ų21.12%0.01611%0.114CC..Hα-helixtrans-89.6-26.7-173.7-178-118.8000112.6R170 V171 L172 R193 V194 M195 Y223 V249 P255 L374R170-Y253 HydrophobicContact CB-CE1 4.14Å; R170-Y253 HydrophobicContact CB-CE2 4.16Å; R170-Y253 VanDerWaalsContact CD-O 3.23Å; R170-Y253 WeakPolarHBondContact CD-O 3.48Å; R170-Y253 HydrophobicContact CG-CE2 3.98Å; R170-Y253 PolarHBondContact NE-O 2.97Å; V171-Y253 PolarHBondContact N-OH 3.19Å; V171-Y253 VanDerWaalsContact O-CE1 3.26Å; V171-Y253 WeakPolarHBondContact O-CE1 3.44Å; V171-Y253 PolarHBondContact O-OH 3.06Å; L172-Y253 HydrophobicContact CB-CD1 4.24Å; L172-Y253 HydrophobicContact CB-CE1 4.02Å; L172-Y253 HydrophobicContact CD1-CD1 4.38Å; R193-Y253 PolarHBondContact O-OH 2.97Å; V194-Y253 VanDerWaalsContact CA-OH 3.22Å; V194-Y253 WeakPolarHBondContact CA-OH 3.4Å; V194-Y253 PolarHBondContact N-OH 3.01Å; M195-Y253 HydrophobicContact CB-CD1 3.68Å; M195-Y253 HydrophobicContact CB-CD2 4Å; M195-Y253 HydrophobicContact CB-CE1 3.49Å; M195-Y253 VanDerWaalsContact CB-CE1 3.49Å; M195-Y253 HydrophobicContact CB-CE2 3.83Å; M195-Y253 HydrophobicContact CB-CG 3.94Å; M195-Y253 HydrophobicContact CE-CD2 4.01Å; M195-Y253 HydrophobicContact CE-CG 4.01Å; M195-Y253 HydrophobicContact CG-CD1 4.45Å; M195-Y253 PolarHBondContact N-OH 3.42Å; M195-Y253 VanDerWaalsContact N-OH 3.16Å; M195-Y253 HydrophobicContact SD-CD1 4.1Å; M195-Y253 HydrophobicContact SD-CD2 4.34Å; M195-Y253 HydrophobicContact SD-CG 3.82Å; Y223-Y253 AromaticContact CD1-CD2 3.84Å; Y223-Y253 HydrophobicContact CD1-CD2 3.84Å; Y223-Y253 AromaticContact CD1-CE2 3.64Å; Y223-Y253 HydrophobicContact CD1-CE2 3.64Å; Y223-Y253 AromaticContact CE1-CD2 3.7Å; Y223-Y253 HydrophobicContact CE1-CD2 3.7Å; Y223-Y253 AromaticContact CE1-CE2 3.67Å; Y223-Y253 HydrophobicContact CE1-CE2 3.67Å; V249-Y253 VanDerWaalsContact O-CB 3.23Å; V249-Y253 WeakPolarHBondContact O-CB 3.41Å; V249-Y253 PolarHBondContact O-N 2.93Å; Y253-P255 HydrophobicContact CD1-CB 3.95Å; Y253-P255 HydrophobicContact CD1-CG 4.22Å; Y253-P255 HydrophobicContact CE1-CB 3.92Å; Y253-L374 HydrophobicContact CD2-CD2 4.22Å
254Q97.2Very high98.3Very high88 Ų8818.5 Ų18.541%0.41110%0.102SC..  trans46.160.4176-60.2166.926.800112.5R170 M250 E251 H376R170-Q254 PolarHBondContact NE-O 3.12Å; R170-Q254 PolarHBondContact NH2-O 3.45Å; M250-Q254 WeakPolarHBondContact O-CA 3.06Å; M250-Q254 PolarHBondContact O-N 2.81Å; M250-Q254 VanDerWaalsContact O-N 3.14Å; E251-Q254 WeakPolarHBondContact O-CG 3.23Å; E251-Q254 PolarHBondContact O-NE2 3.22Å; Q254-H376 PolarHBondContact NE2-O 3.37Å
255P98Very high98.3Very high11 Ų1116.3 Ų16.37%0.0719%0.088CC..  trans-65.5161.2179.729.1-34.8000111.9L172 M250 Y253 L294L172-P255 HydrophobicContact CB-CB 3.58Å; L172-P255 HydrophobicContact CB-CG 3.76Å; L172-P255 HydrophobicContact CD2-CG 3.93Å; L172-P255 HydrophobicContact CG-CG 4.5Å; M250-P255 HydrophobicContact SD-CG 3.57Å; M250-P255 VanDerWaalsContact SD-CG 3.57Å; Y253-P255 HydrophobicContact CD1-CB 3.95Å; Y253-P255 HydrophobicContact CD1-CG 4.22Å; Y253-P255 HydrophobicContact CE1-CB 3.92Å; P255-L294 HydrophobicContact CB-CD1 4.35Å; P255-L294 HydrophobicContact CG-CD1 3.8Å; P255-L294 WeakPolarHBondContact O-CD1 3.42Å
256S98.3Very high98.3Very high40 Ų4016.3 Ų16.328%0.289%0.088SC..SBendtrans-113.3-10.1177.157.50000113.8H168 R170 P295H168-S256 WeakPolarHBondContact CB-OG 3.48Å; H168-S256 PolarHBondContact CE1-O 3.42Å; H168-S256 VanDerWaalsContact CE1-O 3.29Å; H168-S256 PolarHBondContact ND1-O 2.61Å; H168-S256 VanDerWaalsContact ND1-O 3.12Å; H168-S256 PolarHBondContact ND1-OG 3Å; R170-S256 PolarHBondContact O-N 2.79Å; R170-S256 PolarHBondContact O-OG 2.94Å; S256-P295 WeakPolarHBondContact O-CD 3.39Å
257A98.8Very high98.3Very high0 Ų016.4 Ų16.40%09%0.089CC..EExtended strand (participates in β ladder)trans-150.7155.716800000108.9L164 H168 L172 P295L164-A257 HydrophobicContact CD1-CB 4.37Å; L164-A257 HydrophobicContact CD2-CB 4.37Å; H168-A257 HydrophobicContact CB-CB 4.24Å; L172-A257 PolarHBondContact N-O 3.46Å; A257-P295 HydrophobicContact CB-CB 4.32Å
258V98.9Very high98.3Very high3 Ų315 Ų152%0.0188%0.076CC..EExtended strand (participates in β ladder)trans-127.5137.4-179.1-174.50000110.1L172 I174 M250 I289 L294 P295 L296 L297L172-V258 HydrophobicContact CB-CG2 4.46Å; L172-V258 CarbonylContact O-C 3.58Å; L172-V258 WeakPolarHBondContact O-CA 3.35Å; I174-V258 HydrophobicContact CD1-CG1 3.61Å; I174-V258 HydrophobicContact CG1-CG1 4.16Å; M250-V258 HydrophobicContact CE-CG2 4.1Å; V258-I289 HydrophobicContact CG1-CG2 3.81Å; V258-L294 HydrophobicContact CG2-CB 4.12Å; V258-L294 HydrophobicContact CG2-CD1 3.82Å; V258-P295 PolarHBondContact N-O 3.49Å; V258-L296 HydrophobicContact CB-CD1 3.9Å; V258-L296 HydrophobicContact CG1-CD1 3.87Å; V258-L296 WeakPolarHBondContact O-CA 3.5Å; V258-L297 PolarHBondContact O-N 2.72Å
259V98.9Very high98.3Very high0 Ų016.1 Ų16.10%010%0.096CC..EExtended strand (participates in β ladder)trans-113.9122.8165.4-176.20000107.4I157 I161 L164 V171 L172 Y173 I174 L297 L299I157-V259 HydrophobicContact CG2-CG1 3.94Å; I161-V259 HydrophobicContact CG1-CB 4.42Å; I161-V259 HydrophobicContact CG1-CG2 3.8Å; L164-V259 HydrophobicContact CD1-CG2 3.51Å; V171-V259 HydrophobicContact CG1-CG2 4.19Å; L172-V259 PolarHBondContact O-N 3.08Å; Y173-V259 WeakPolarHBondContact CA-O 3.42Å; Y173-V259 HydrophobicContact CD2-CB 4.11Å; Y173-V259 HydrophobicContact CD2-CG1 4.07Å; Y173-V259 HydrophobicContact CE2-CG1 4.34Å; I174-V259 PolarHBondContact N-O 2.83Å; V259-L297 CarbonylContact C-O 3.54Å; V259-L297 WeakPolarHBondContact CA-O 3.45Å; V259-L297 HydrophobicContact CG1-CB 4.37Å; V259-L297 HydrophobicContact CG1-CD2 4.16Å; V259-L297 HydrophobicContact CG1-CG 4.39Å; V259-L297 HydrophobicContact CG2-CB 4.17Å; V259-L297 HydrophobicContact CG2-CD2 4.23Å; V259-L299 HydrophobicContact CG1-CD1 3.78Å; V259-L299 HydrophobicContact CG1-CG 4.3Å
260L98.9Very high98.3Very high0 Ų017 Ų170%010%0.101CC..EExtended strand (participates in β ladder)trans-116.2112.2178.4177.463.3000108.5I174 V286 I289 L296 L297 M298 L299I174-L260 HydrophobicContact CB-CD1 3.72Å; I174-L260 HydrophobicContact CG2-CD1 3.71Å; I174-L260 WeakPolarHBondContact O-CA 3.46Å; L260-V286 HydrophobicContact CD2-CB 4.37Å; L260-V286 HydrophobicContact CD2-CG2 3.86Å; L260-I289 HydrophobicContact CD2-CB 4.49Å; L260-L296 HydrophobicContact CB-CD1 4Å; L260-L297 PolarHBondContact N-O 3.47Å; L260-M298 WeakPolarHBondContact O-CA 3.15Å; L260-L299 PolarHBondContact O-N 2.84Å
261Q98.9Very high98.3Very high0 Ų023.9 Ų23.90%013%0.126CC..EExtended strand (participates in β ladder)trans-81.8126.8169.1-167.5-82.318.300107.2G139 I157 Y173 I174 D175 I176 D177 G300G139-Q261 PolarHBondContact O-NE2 2.66Å; I157-Q261 HydrophobicContact CD1-CB 4.4Å; I157-Q261 HydrophobicContact CD1-CG 3.93Å; Y173-Q261 HydrophobicContact CE2-CB 3.92Å; Y173-Q261 WeakPolarHBondContact OH-CB 3.19Å; I174-Q261 PolarHBondContact O-N 3.11Å; D175-Q261 PolarHBondContact OD1-OE1 3.24Å; I176-Q261 VanDerWaalsContact CG1-O 3.27Å; I176-Q261 WeakPolarHBondContact CG1-O 3.4Å; I176-Q261 PolarHBondContact N-O 3.07Å; D177-Q261 PolarHBondContact OD2-NE2 2.94Å; Q261-G300 WeakPolarHBondContact CG-O 3.45Å
262C98.9Very high98.3Very high0 Ų022.1 Ų22.10%012%0.12CC..  trans-111.358.7-176.6-65.50000111.4W136 A264 L299 G300 W313 E316W136-C262 HydrophobicContact CH2-CB 4.45Å; W136-C262 HydrophobicContact CZ3-CB 3.88Å; C262-A264 PolarHBondContact O-N 3.22Å; C262-L299 WeakPolarHBondContact CB-O 3.35Å; C262-L299 PolarHBondContact N-O 2.94Å; C262-G300 CarbonylContact C-O 3.59Å; C262-G300 PolarHBondContact N-O 3.35Å; C262-G300 VanDerWaalsContact N-O 3.08Å; C262-W313 PolarHBondContact O-NE1 3.03Å; C262-E316 WeakPolarHBondContact CB-OE2 3.38Å
263G98.8Very high98.4Very high0 Ų022.5 Ų22.50%012%0.124CC..  trans-61.4110.7179.700000112.9D177 D265 S266 H282D177-G263 WeakPolarHBondContact OD2-CA 3.37Å; G263-D265 VanDerWaalsContact C-N 3.3Å; G263-D265 PolarHBondContact O-N 3.1Å; G263-S266 PolarHBondContact O-OG 2.67Å; G263-H282 PolarHBondContact O-NE2 2.9Å
264A98.9Very high98.4Very high1 Ų123.6 Ų23.61%0.00813%0.132CC..THydrogen-bonded Turntrans-88.213.5-16800000114.2C262 L267 G302 V309C262-A264 PolarHBondContact O-N 3.22Å; A264-L267 HydrophobicContact CB-CD1 4.03Å; A264-L267 WeakPolarHBondContact O-CB 3.47Å; A264-L267 WeakPolarHBondContact O-CD1 3.43Å; A264-L267 WeakPolarHBondContact O-CG 3.3Å; A264-G302 PolarHBondContact N-O 3.08Å; A264-V309 HydrophobicContact CB-CB 4.33Å; A264-V309 HydrophobicContact CB-CG1 4.14Å; A264-V309 HydrophobicContact CB-CG2 4.03Å
265D98.8Very high98.5Very high0 Ų019.5 Ų19.50%011%0.113CC..THydrogen-bonded Turntrans-87.9-9.7169.848.316.9000113.4D177 I178 H179 G263 L267 D270 G273 G302 G303 Y304D177-D265 VanDerWaalsContact OD1-OD1 3.12Å; I178-D265 HydrophobicContact CG2-CB 4Å; I178-D265 VanDerWaalsContact CG2-CG 3.5Å; I178-D265 WeakPolarHBondContact CG2-OD1 3.26Å; I178-D265 PolarHBondContact N-OD1 3.39Å; I178-D265 VanDerWaalsContact N-OD1 3.08Å; H179-D265 IonicContact CE1-OD2 2.74Å; H179-D265 PolarHBondContact CE1-OD2 3.08Å; H179-D265 IonicContact ND1-OD2 2.7Å; H179-D265 PolarHBondContact ND1-OD2 3.18Å; G263-D265 VanDerWaalsContact C-N 3.3Å; G263-D265 PolarHBondContact O-N 3.1Å; D265-L267 PolarHBondContact O-N 2.99Å; D265-D270 HydrophobicContact CB-CB 4.43Å; D265-G273 WeakPolarHBondContact O-CA 3.48Å; D265-G302 WeakPolarHBondContact OD2-CA 3.11Å; D265-G303 PolarHBondContact OD2-N 3.22Å; D265-Y304 HydrophobicContact CB-CD2 3.91Å; D265-Y304 HydrophobicContact CB-CE2 3.83Å; D265-Y304 WeakPolarHBondContact OD2-CE2 3.49Å
266S98.8Very high98.5Very high0 Ų019.4 Ų19.40%011%0.112CC..SBendtrans-68.1-5.3164.4640000113.2I176 G263 F275 L277 H282I176-S266 VanDerWaalsContact O-CB 3.3Å; I176-S266 WeakPolarHBondContact O-CB 3.47Å; I176-S266 PolarHBondContact O-OG 2.86Å; I176-S266 VanDerWaalsContact O-OG 3.11Å; G263-S266 PolarHBondContact O-OG 2.67Å; S266-F275 WeakPolarHBondContact O-CB 3.21Å; S266-L277 WeakPolarHBondContact O-CB 3.34Å; S266-L277 WeakPolarHBondContact O-CG 3.37Å; S266-H282 PolarHBondContact OG-CD2 3.17Å; S266-H282 PolarHBondContact OG-NE2 3.12Å; S266-H282 VanDerWaalsContact OG-NE2 3.15Å
267L98.9Very high98.6Very high2 Ų217.5 Ų17.51%0.0110%0.099CC..BIsolated β-bridgetrans-79.3149178.2-63.9175.7000113.9A264 D265 G269 D270 I279 H282 N308 C312 I346A264-L267 HydrophobicContact CB-CD1 4.03Å; A264-L267 WeakPolarHBondContact O-CB 3.47Å; A264-L267 WeakPolarHBondContact O-CD1 3.43Å; A264-L267 WeakPolarHBondContact O-CG 3.3Å; D265-L267 PolarHBondContact O-N 2.99Å; L267-G269 PolarHBondContact O-N 2.84Å; L267-D270 PolarHBondContact O-N 2.96Å; L267-I279 HydrophobicContact CD1-CG1 4.46Å; L267-I279 HydrophobicContact CD2-CG1 4.44Å; L267-H282 HydrophobicContact CD2-CB 3.84Å; L267-N308 HydrophobicContact CD1-CB 4.34Å; L267-C312 HydrophobicContact CD1-CB 3.69Å; L267-I346 HydrophobicContact CB-CD1 4.44Å
268S98.7Very high98.6Very high8 Ų818.1 Ų18.16%0.05610%0.102CC..THydrogen-bonded Turntrans-52.4128.4168.5173.70000112D270 N276 L277 N308 S349S268-D270 VanDerWaalsContact C-N 3.35Å; S268-N276 PolarHBondContact OG-OD1 3.41Å; S268-L277 WeakPolarHBondContact CB-O 3.42Å; S268-L277 PolarHBondContact N-O 3.06Å; S268-N308 PolarHBondContact O-ND2 2.96Å; S268-S349 PolarHBondContact OG-N 3.38Å
269G97.3Very high98.6Very high51 Ų5118 Ų1853%0.52610%0.102SC..THydrogen-bonded Turntrans71.426.4176.800000114.2L267 T305L267-G269 PolarHBondContact O-N 2.84Å; G269-T305 WeakPolarHBondContact O-CB 3.34Å; G269-T305 PolarHBondContact O-OG1 3.19Å
270D98.6Very high98.5Very high19 Ų1923.1 Ų23.110%0.10212%0.124CC..  trans-62.6163.3162.1-169.4-98.5000112D265 L267 S268 L272 G273 Y304 T305D265-D270 HydrophobicContact CB-CB 4.43Å; L267-D270 PolarHBondContact O-N 2.96Å; S268-D270 VanDerWaalsContact C-N 3.35Å; D270-L272 PolarHBondContact OD1-N 2.82Å; D270-G273 PolarHBondContact OD1-N 3.33Å; D270-Y304 WeakPolarHBondContact OD1-CD2 3.33Å; D270-Y304 WeakPolarHBondContact OD2-CA 3.37Å; D270-Y304 PolarHBondContact OD2-N 3.23Å; D270-T305 WeakPolarHBondContact CA-OG1 3.48Å; D270-T305 PolarHBondContact OD2-N 2.85Å
271R98Very high98.5Very high159 Ų15923.4 Ų23.460%0.613%0.127SC*.SBendtrans-85.5-25.7-179.9-64-175.562.5-151.4-6.1114.2Y304 T305R271-Y304 WeakPolarHBondContact CD-O 3.5Å; R271-T305 WeakPolarHBondContact CG-OG1 3.44Å; R271-T305 PolarHBondContact N-OG1 3.34Å
272L97.7Very high98.5Very high74 Ų7423.5 Ų23.539%0.38713%0.127SC..SBendtrans-114.9-38.4178.4-56.3-172.6000110.9P30 F151 Y205 D270 Y304P30-L272 HydrophobicContact CB-CD1 4.03Å; P30-L272 HydrophobicContact CB-CD2 4.48Å; P30-L272 HydrophobicContact CB-CG 4.43Å; P30-L272 HydrophobicContact CG-CD1 3.98Å; F151-L272 HydrophobicContact CE2-CD1 4.05Å; F151-L272 HydrophobicContact CZ-CD1 4.26Å; Y205-L272 PolarHBondContact OH-O 2.99Å; D270-L272 PolarHBondContact OD1-N 2.82Å; L272-Y304 HydrophobicContact CB-CD2 3.78Å; L272-Y304 HydrophobicContact CB-CE2 4.13Å; L272-Y304 HydrophobicContact CD1-CD1 4.17Å; L272-Y304 HydrophobicContact CD1-CD2 3.63Å; L272-Y304 HydrophobicContact CD1-CE1 4.16Å; L272-Y304 HydrophobicContact CD1-CE2 3.63Å; L272-Y304 HydrophobicContact CD1-CG 3.92Å; L272-Y304 HydrophobicContact CG-CD2 3.66Å; L272-Y304 HydrophobicContact CG-CE2 4.12Å; L272-Y304 HydrophobicContact CG-CG 3.96Å
273G97.8Very high98.5Very high12 Ų1223.6 Ų23.612%0.12413%0.128CC..  trans-71.2151.4178.600000114.2D265 D270D265-G273 WeakPolarHBondContact O-CA 3.48Å; D270-G273 PolarHBondContact OD1-N 3.33Å
274C98.2Very high98.5Very high27 Ų2726.5 Ų26.518%0.18214%0.141CC..  trans-130.633.1179600000113.3K201 D231 G232K201-C274 WeakPolarHBondContact CD-SG 3.44Å; D231-C274 WeakPolarHBondContact CA-O 3.37Å; G232-C274 PolarHBondContact N-O 3.23Å
275F98.8Very high98.5Very high2 Ų226.6 Ų26.61%0.00914%0.141CC..  trans-89.3173.2163.5-78.34.1000110.9I178 K201 L229 I233 Y238 S266I178-F275 HydrophobicContact CD1-CB 4.06Å; I178-F275 HydrophobicContact CD1-CD1 3.63Å; I178-F275 HydrophobicContact CD1-CD2 4.19Å; I178-F275 HydrophobicContact CD1-CE1 4.09Å; I178-F275 HydrophobicContact CD1-CG 3.68Å; I178-F275 HydrophobicContact CG1-CD1 3.89Å; I178-F275 HydrophobicContact CG1-CD2 3.88Å; I178-F275 HydrophobicContact CG1-CE1 3.9Å; I178-F275 HydrophobicContact CG1-CE2 3.87Å; I178-F275 HydrophobicContact CG1-CG 3.87Å; I178-F275 HydrophobicContact CG1-CZ 3.87Å; K201-F275 HydrophobicContact CB-CE1 3.96Å; K201-F275 HydrophobicContact CB-CZ 4.3Å; L229-F275 HydrophobicContact CB-CE1 4.05Å; L229-F275 HydrophobicContact CB-CZ 3.73Å; L229-F275 HydrophobicContact CD1-CE2 3.96Å; L229-F275 HydrophobicContact CD1-CZ 3.64Å; L229-F275 HydrophobicContact CG-CZ 4.33Å; I233-F275 HydrophobicContact CG2-CB 4.06Å; I233-F275 HydrophobicContact CG2-CD1 3.73Å; I233-F275 HydrophobicContact CG2-CD2 3.56Å; I233-F275 HydrophobicContact CG2-CE1 4.01Å; I233-F275 HydrophobicContact CG2-CE2 3.88Å; I233-F275 HydrophobicContact CG2-CG 3.5Å; I233-F275 HydrophobicContact CG2-CZ 4.1Å; Y238-F275 HydrophobicContact CE2-CE2 4.24Å; S266-F275 WeakPolarHBondContact O-CB 3.21Å
276N98.7Very high98.5Very high10 Ų1026.6 Ų26.65%0.05314%0.141CC..  trans-125.422.5-175.7-15525.9000113.1I233 S268 S349I233-N276 CarbonylContact O-C 3.47Å; I233-N276 WeakPolarHBondContact O-CA 3.32Å; I233-N276 WeakPolarHBondContact O-CB 3.39Å; I233-N276 PolarHBondContact O-N 2.91Å; S268-N276 PolarHBondContact OG-OD1 3.41Å; N276-S349 PolarHBondContact ND2-O 2.82Å; N276-S349 WeakPolarHBondContact OD1-CB 3.26Å; N276-S349 PolarHBondContact OD1-N 2.83Å; N276-S349 PolarHBondContact OD1-OG 2.96Å
277L98.9Very high98.5Very high0 Ų031.9 Ų31.90%017%0.166CC..BIsolated β-bridgetrans-68.9142.6-177.2-56.1-178.1000112.2I233 D235 Y238 S266 S268I233-L277 HydrophobicContact CG2-CD2 4.3Å; D235-L277 WeakPolarHBondContact OD1-CA 3.45Å; Y238-L277 HydrophobicContact CD2-CD1 3.87Å; Y238-L277 HydrophobicContact CD2-CD2 3.99Å; Y238-L277 HydrophobicContact CD2-CG 4.47Å; Y238-L277 HydrophobicContact CE2-CD1 4Å; Y238-L277 HydrophobicContact CG-CD1 4.19Å; Y238-L277 HydrophobicContact CG-CD2 3.98Å; S266-L277 WeakPolarHBondContact O-CB 3.34Å; S266-L277 WeakPolarHBondContact O-CG 3.37Å; S268-L277 WeakPolarHBondContact CB-O 3.42Å; S268-L277 PolarHBondContact N-O 3.06Å
278T98.8Very high98.5Very high12 Ų1234.1 Ų34.17%0.07418%0.175CC..  trans-87.5164.5165.583.20000110.6D235 K280 G281 H282 P348D235-T278 PolarHBondContact OD1-N 2.76Å; D235-T278 WeakPolarHBondContact OD2-CB 3.4Å; D235-T278 WeakPolarHBondContact OD2-CG2 3.33Å; D235-T278 PolarHBondContact OD2-OG1 2.84Å; T278-K280 PolarHBondContact O-N 2.59Å; T278-K280 VanDerWaalsContact O-N 3.12Å; T278-K280 PolarHBondContact OG1-N 2.93Å; T278-G281 PolarHBondContact O-N 2.82Å; T278-G281 VanDerWaalsContact O-N 3.1Å; T278-G281 PolarHBondContact OG1-N 3.2Å; T278-H282 PolarHBondContact O-N 2.75Å; T278-P348 HydrophobicContact CG2-CB 4.31Å; T278-P348 HydrophobicContact CG2-CG 4.35Å
279I98.8Very high98.5Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-55.3-28.1170.5-68.3156.9000112L267 A283 R311 C312 F315 L344 I346L267-I279 HydrophobicContact CD1-CG1 4.46Å; L267-I279 HydrophobicContact CD2-CG1 4.44Å; I279-A283 WeakPolarHBondContact O-CB 3.33Å; I279-A283 PolarHBondContact O-N 2.71Å; I279-A283 VanDerWaalsContact O-N 3.07Å; I279-R311 HydrophobicContact CD1-CB 3.49Å; I279-R311 VanDerWaalsContact CD1-CB 3.49Å; I279-R311 HydrophobicContact CD1-CG 4.46Å; I279-C312 HydrophobicContact CG1-CB 4.06Å; I279-F315 HydrophobicContact CG2-CB 3.67Å; I279-F315 HydrophobicContact CG2-CD1 3.6Å; I279-F315 HydrophobicContact CG2-CG 3.87Å; I279-L344 WeakPolarHBondContact CD1-O 3.41Å; I279-I346 HydrophobicContact CD1-CB 4.47Å; I279-I346 HydrophobicContact CD1-CD1 4.37Å; I279-I346 HydrophobicContact CD1-CG1 4.01Å; I279-I346 HydrophobicContact CD1-CG2 4Å; I279-I346 HydrophobicContact CG1-CD1 4.23Å; I279-I346 HydrophobicContact CG1-CG1 4.11Å
280K98.6Very high98.5Very high109 Ų10932.2 Ų32.247%0.47415%0.151SC..Hα-helixtrans-76.8-42.5176.4-65.2-176.1178.7-179.70111.8T278 K284 H345T278-K280 PolarHBondContact O-N 2.59Å; T278-K280 VanDerWaalsContact O-N 3.12Å; T278-K280 PolarHBondContact OG1-N 2.93Å; K280-K284 WeakPolarHBondContact O-CG 3.45Å; K280-K284 PolarHBondContact O-N 3.43Å; K280-H345 WeakPolarHBondContact CE-CD2 3.48Å; K280-H345 VanDerWaalsContact CE-CE1 3.41Å; K280-H345 WeakPolarHBondContact CE-CE1 3.49Å; K280-H345 WeakPolarHBondContact CE-NE2 3.28Å
281G98.5Very high98.5Very high6 Ų634.5 Ų34.56%0.06217%0.169CC..Hα-helixtrans-59.7-47.3173.700000112.1D235 T278 K284D235-G281 WeakPolarHBondContact OD1-CA 3.43Å; D235-G281 WeakPolarHBondContact OD2-CA 3.37Å; D235-G281 PolarHBondContact OD2-N 3.36Å; T278-G281 PolarHBondContact O-N 2.82Å; T278-G281 VanDerWaalsContact O-N 3.1Å; T278-G281 PolarHBondContact OG1-N 3.2Å; G281-K284 WeakPolarHBondContact O-CB 3.18Å; G281-K284 PolarHBondContact O-N 2.66Å
282H98.9Very high98.5Very high1 Ų130.1 Ų30.11%0.00515%0.154CC..Hα-helixtrans-58.9-54.5176.1-161-87.4000111.6I176 G263 S266 L267 T278 K284 C285 E316I176-H282 WeakPolarHBondContact CD1-CE1 3.15Å; G263-H282 PolarHBondContact O-NE2 2.9Å; S266-H282 PolarHBondContact OG-CD2 3.17Å; S266-H282 PolarHBondContact OG-NE2 3.12Å; S266-H282 VanDerWaalsContact OG-NE2 3.15Å; L267-H282 HydrophobicContact CD2-CB 3.84Å; T278-H282 PolarHBondContact O-N 2.75Å; H282-K284 VanDerWaalsContact C-N 3.27Å; H282-K284 PolarHBondContact O-N 3.2Å; H282-C285 WeakPolarHBondContact O-CB 3.34Å; H282-C285 PolarHBondContact O-N 3.04Å; H282-C285 PolarHBondContact O-SG 2.68Å; H282-C285 VanDerWaalsContact O-SG 3.41Å; H282-E316 IonicContact CE1-OE1 3.55Å; H282-E316 PolarHBondContact CE1-OE1 2.89Å; H282-E316 IonicContact CG-OE1 2.71Å; H282-E316 IonicContact ND1-OE1 3.12Å; H282-E316 PolarHBondContact ND1-OE1 3.31Å; H282-E316 IonicContact ND1-OE2 3.17Å
283A98.8Very high98.5Very high2 Ų231.3 Ų31.32%0.01716%0.161CC..Hα-helixtrans-67.9-18.7-17700000114.7I279 C285 V286 E287 F315 E316 V319I279-A283 WeakPolarHBondContact O-CB 3.33Å; I279-A283 PolarHBondContact O-N 2.71Å; I279-A283 VanDerWaalsContact O-N 3.07Å; A283-C285 PolarHBondContact O-N 2.92Å; A283-V286 WeakPolarHBondContact O-CB 3.5Å; A283-V286 PolarHBondContact O-N 3.24Å; A283-E287 PolarHBondContact O-N 3.08Å; A283-F315 HydrophobicContact CB-CD1 3.58Å; A283-F315 HydrophobicContact CB-CE1 3.71Å; A283-E316 HydrophobicContact CB-CG 3.8Å; A283-V319 HydrophobicContact CB-CG2 4.26Å
284K98.8Very high98.5Very high61 Ų6132.8 Ų32.827%0.26517%0.166SC..Hα-helixtrans-60.7-26.3168-81.3170.5175.9-179.70112.1E239 K280 G281 H282 Y288E239-K284 WeakPolarHBondContact OE2-CD 3.4Å; E239-K284 WeakPolarHBondContact OE2-CE 3.31Å; E239-K284 IonicContact OE2-NZ 3.46Å; E239-K284 PolarHBondContact OE2-NZ 3.45Å; K280-K284 WeakPolarHBondContact O-CG 3.45Å; K280-K284 PolarHBondContact O-N 3.43Å; G281-K284 WeakPolarHBondContact O-CB 3.18Å; G281-K284 PolarHBondContact O-N 2.66Å; H282-K284 VanDerWaalsContact C-N 3.27Å; H282-K284 PolarHBondContact O-N 3.2Å; K284-Y288 VanDerWaalsContact O-CB 3.25Å; K284-Y288 WeakPolarHBondContact O-CB 3.47Å; K284-Y288 PolarHBondContact O-N 3.43Å
285C98.8Very high98.5Very high3 Ų333.2 Ų33.22%0.0217%0.168CC..Hα-helixtrans-67-49.9174-56.50000110I176 F242 H282 A283 E287 Y288 I289I176-C285 HydrophobicContact CD1-CB 3.9Å; I176-C285 HydrophobicContact CG2-CB 4.48Å; F242-C285 HydrophobicContact CD1-CB 4.26Å; F242-C285 HydrophobicContact CE1-CB 3.73Å; F242-C285 HydrophobicContact CE2-CB 4.08Å; F242-C285 HydrophobicContact CZ-CB 3.63Å; H282-C285 WeakPolarHBondContact O-CB 3.34Å; H282-C285 PolarHBondContact O-N 3.04Å; H282-C285 PolarHBondContact O-SG 2.68Å; H282-C285 VanDerWaalsContact O-SG 3.41Å; A283-C285 PolarHBondContact O-N 2.92Å; C285-E287 PolarHBondContact O-N 2.88Å; C285-Y288 PolarHBondContact O-N 2.99Å; C285-I289 WeakPolarHBondContact O-CG1 3.42Å; C285-I289 PolarHBondContact O-N 3.39Å
286V98.8Very high98.5Very high0 Ų033.2 Ų33.20%017%0.168CC..Hα-helixtrans-56.7-49.8173.4179.90000111.3L260 A283 Y288 I289 K290 M298 E316 V319L260-V286 HydrophobicContact CD2-CB 4.37Å; L260-V286 HydrophobicContact CD2-CG2 3.86Å; A283-V286 WeakPolarHBondContact O-CB 3.5Å; A283-V286 PolarHBondContact O-N 3.24Å; V286-Y288 VanDerWaalsContact C-N 3.32Å; V286-Y288 PolarHBondContact O-N 2.98Å; V286-I289 PolarHBondContact O-N 3.17Å; V286-K290 WeakPolarHBondContact O-CB 3.25Å; V286-K290 PolarHBondContact O-N 2.99Å; V286-M298 HydrophobicContact CG1-CE 3.53Å; V286-M298 HydrophobicContact CG1-SD 3.89Å; V286-M298 HydrophobicContact CG2-CE 4.11Å; V286-E316 HydrophobicContact CG2-CB 4.3Å; V286-E316 HydrophobicContact CG2-CG 4.02Å; V286-E316 VanDerWaalsContact CG2-OE1 3.29Å; V286-E316 WeakPolarHBondContact CG2-OE1 3.5Å; V286-V319 HydrophobicContact CB-CG1 4.37Å; V286-V319 HydrophobicContact CG1-CG1 4Å
287E98.5Very high98.5Very high112 Ų11232.8 Ų32.852%0.52317%0.166SC..Hα-helixtrans-56.3-45.9177.8-175.9-175.6-144.100111.6A283 C285 S291 V319A283-E287 PolarHBondContact O-N 3.08Å; C285-E287 PolarHBondContact O-N 2.88Å; E287-S291 PolarHBondContact O-N 3.4Å; E287-S291 VanDerWaalsContact O-N 3.17Å; E287-V319 HydrophobicContact CB-CG1 3.94Å
288Y98.8Very high98.5Very high48 Ų4832.8 Ų32.819%0.18817%0.166CC..Hα-helixtrans-66.5-46.6-179-170.3-115000112.4F242 K243 M246 A247 K284 C285 V286 S291 F292F242-Y288 HydrophobicContact CD1-CD1 4.2Å; F242-Y288 HydrophobicContact CE1-CD1 4.03Å; K243-Y288 HydrophobicContact CB-CD1 4.36Å; K243-Y288 HydrophobicContact CB-CE1 4.05Å; K243-Y288 HydrophobicContact CB-CE2 4.29Å; K243-Y288 HydrophobicContact CD-CD2 3.88Å; K243-Y288 HydrophobicContact CD-CE2 4.14Å; K243-Y288 HydrophobicContact CD-CG 4.22Å; K243-Y288 HydrophobicContact CG-CD1 3.88Å; K243-Y288 HydrophobicContact CG-CD2 3.85Å; K243-Y288 HydrophobicContact CG-CE1 4.06Å; K243-Y288 HydrophobicContact CG-CE2 4.04Å; K243-Y288 HydrophobicContact CG-CG 3.77Å; K243-Y288 WeakPolarHBondContact O-CE1 3.46Å; K243-Y288 PolarHBondContact O-OH 3.45Å; M246-Y288 HydrophobicContact CB-CD1 4.26Å; M246-Y288 HydrophobicContact CB-CE1 3.94Å; A247-Y288 WeakPolarHBondContact CB-OH 3.36Å; K284-Y288 VanDerWaalsContact O-CB 3.25Å; K284-Y288 WeakPolarHBondContact O-CB 3.47Å; K284-Y288 PolarHBondContact O-N 3.43Å; C285-Y288 PolarHBondContact O-N 2.99Å; V286-Y288 VanDerWaalsContact C-N 3.32Å; V286-Y288 PolarHBondContact O-N 2.98Å; Y288-S291 WeakPolarHBondContact O-CB 3.43Å; Y288-S291 PolarHBondContact O-N 3.37Å; Y288-S291 PolarHBondContact O-OG 2.86Å; Y288-F292 AromaticContact CD1-CE2 3.94Å; Y288-F292 HydrophobicContact CD1-CE2 3.94Å; Y288-F292 AromaticContact CE1-CE2 3.59Å; Y288-F292 HydrophobicContact CE1-CE2 3.59Å; Y288-F292 AromaticContact CE1-CZ 3.83Å; Y288-F292 HydrophobicContact CE1-CZ 3.83Å; Y288-F292 HydrophobicContact CE2-CE2 4.37Å; Y288-F292 HydrophobicContact CE2-CZ 4.49Å; Y288-F292 HydrophobicContact CG-CE2 4.46Å; Y288-F292 AromaticContact CZ-CE2 3.82Å; Y288-F292 AromaticContact CZ-CZ 3.75Å; Y288-F292 VanDerWaalsContact O-CD2 3.27Å; Y288-F292 WeakPolarHBondContact O-CD2 3.49Å; Y288-F292 WeakPolarHBondContact O-CE2 3.48Å
289I98.6Very high98.5Very high5 Ų532.2 Ų32.23%0.02616%0.162CC..Hα-helixtrans-65.6-40.6178.4-64-50.2000111.4I174 F242 M246 M250 V258 L260 C285 V286 S291 F292 L296I174-I289 HydrophobicContact CD1-CB 4.44Å; I174-I289 HydrophobicContact CD1-CD1 3.45Å; I174-I289 VanDerWaalsContact CD1-CD1 3.45Å; I174-I289 HydrophobicContact CD1-CG1 3.64Å; I174-I289 HydrophobicContact CD1-CG2 3.91Å; F242-I289 HydrophobicContact CE1-CD1 4.03Å; F242-I289 HydrophobicContact CE1-CG1 4.02Å; F242-I289 HydrophobicContact CZ-CD1 3.97Å; F242-I289 HydrophobicContact CZ-CG1 3.82Å; M246-I289 HydrophobicContact CB-CD1 4.05Å; M246-I289 HydrophobicContact CE-CD1 4.15Å; M246-I289 HydrophobicContact CG-CD1 4.08Å; M250-I289 HydrophobicContact CE-CD1 4.17Å; V258-I289 HydrophobicContact CG1-CG2 3.81Å; L260-I289 HydrophobicContact CD2-CB 4.49Å; C285-I289 WeakPolarHBondContact O-CG1 3.42Å; C285-I289 PolarHBondContact O-N 3.39Å; V286-I289 PolarHBondContact O-N 3.17Å; I289-S291 PolarHBondContact O-N 3.19Å; I289-F292 PolarHBondContact O-N 3.44Å; I289-L296 HydrophobicContact CG2-CD1 4.02Å
290K97.8Very high98.5Very high15 Ų1532.2 Ų32.27%0.06516%0.162CC..Hα-helixtrans-56.6-35.2174.4-175.7-172.2179.3-1670112.1K10 I132 V286 F292 N293 V319 A320 D322K10-K290 HydrophobicContact CD-CG 4.33Å; K10-K290 PolarHBondContact NZ-O 3.4Å; I132-K290 HydrophobicContact CD1-CD 4.38Å; I132-K290 HydrophobicContact CD1-CG 4.31Å; V286-K290 WeakPolarHBondContact O-CB 3.25Å; V286-K290 PolarHBondContact O-N 2.99Å; K290-F292 PolarHBondContact O-N 3.15Å; K290-N293 PolarHBondContact O-N 3.2Å; K290-N293 VanDerWaalsContact O-N 3.17Å; K290-N293 PolarHBondContact O-OD1 2.63Å; K290-V319 PolarHBondContact NZ-O 2.96Å; K290-A320 VanDerWaalsContact CE-O 3.26Å; K290-A320 WeakPolarHBondContact CE-O 3.38Å; K290-A320 PolarHBondContact NZ-O 2.72Å; K290-D322 IonicContact NZ-OD1 2.67Å; K290-D322 PolarHBondContact NZ-OD1 3.03Å; K290-D322 IonicContact NZ-OD2 3.74Å; K290-D322 PolarHBondContact NZ-OD2 3.36Å
291S97.9Very high98.6Very high67 Ų6727.3 Ų27.347%0.46914%0.143SC..THydrogen-bonded Turntrans-62.8-19.8-177.880.80000114.8E287 Y288 I289 N293E287-S291 PolarHBondContact O-N 3.4Å; E287-S291 VanDerWaalsContact O-N 3.17Å; Y288-S291 WeakPolarHBondContact O-CB 3.43Å; Y288-S291 PolarHBondContact O-N 3.37Å; Y288-S291 PolarHBondContact O-OG 2.86Å; I289-S291 PolarHBondContact O-N 3.19Å; S291-N293 VanDerWaalsContact C-N 3.26Å; S291-N293 PolarHBondContact O-N 3.16Å; S291-N293 PolarHBondContact O-ND2 3.21Å
292F97.9Very high98.5Very high66 Ų6627.2 Ų27.229%0.28914%0.142SC..THydrogen-bonded Turntrans-77.3-6.4177.2-68.3-86000114.3M250 Y288 I289 K290 L294M250-F292 HydrophobicContact CB-CD1 3.94Å; M250-F292 HydrophobicContact CB-CE1 3.64Å; M250-F292 HydrophobicContact CB-CZ 4.18Å; M250-F292 HydrophobicContact CE-CB 4.26Å; M250-F292 HydrophobicContact CE-CD2 3.91Å; M250-F292 HydrophobicContact CE-CE2 4.41Å; M250-F292 HydrophobicContact CE-CG 4.01Å; M250-F292 HydrophobicContact CG-CD1 3.73Å; M250-F292 HydrophobicContact CG-CD2 4.2Å; M250-F292 HydrophobicContact CG-CE1 3.6Å; M250-F292 HydrophobicContact CG-CE2 4.09Å; M250-F292 HydrophobicContact CG-CG 4.03Å; M250-F292 HydrophobicContact CG-CZ 3.79Å; M250-F292 HydrophobicContact SD-CB 4.49Å; M250-F292 HydrophobicContact SD-CD1 4.27Å; M250-F292 HydrophobicContact SD-CG 4.19Å; Y288-F292 AromaticContact CD1-CE2 3.94Å; Y288-F292 HydrophobicContact CD1-CE2 3.94Å; Y288-F292 AromaticContact CE1-CE2 3.59Å; Y288-F292 HydrophobicContact CE1-CE2 3.59Å; Y288-F292 AromaticContact CE1-CZ 3.83Å; Y288-F292 HydrophobicContact CE1-CZ 3.83Å; Y288-F292 HydrophobicContact CE2-CE2 4.37Å; Y288-F292 HydrophobicContact CE2-CZ 4.49Å; Y288-F292 HydrophobicContact CG-CE2 4.46Å; Y288-F292 AromaticContact CZ-CE2 3.82Å; Y288-F292 AromaticContact CZ-CZ 3.75Å; Y288-F292 VanDerWaalsContact O-CD2 3.27Å; Y288-F292 WeakPolarHBondContact O-CD2 3.49Å; Y288-F292 WeakPolarHBondContact O-CE2 3.48Å; I289-F292 PolarHBondContact O-N 3.44Å; K290-F292 PolarHBondContact O-N 3.15Å; F292-L294 VanDerWaalsContact C-N 3.32Å; F292-L294 PolarHBondContact O-N 2.85Å
293N97.3Very high98.5Very high99 Ų9927.2 Ų27.253%0.52914%0.142SC..  trans56.638.8172.8-60.4-40.1000115.5K10 K290 S291K10-N293 WeakPolarHBondContact CE-OD1 3.39Å; K10-N293 PolarHBondContact NZ-OD1 2.74Å; K290-N293 PolarHBondContact O-N 3.2Å; K290-N293 VanDerWaalsContact O-N 3.17Å; K290-N293 PolarHBondContact O-OD1 2.63Å; S291-N293 VanDerWaalsContact C-N 3.26Å; S291-N293 PolarHBondContact O-N 3.16Å; S291-N293 PolarHBondContact O-ND2 3.21Å
294L98.2Very high98.5Very high43 Ų4327.8 Ų27.823%0.22514%0.144CC..  trans-98.7158.2167.8-62.9176.6000111.1M250 P255 V258 F292 L296M250-L294 HydrophobicContact SD-CD1 4.27Å; P255-L294 HydrophobicContact CB-CD1 4.35Å; P255-L294 HydrophobicContact CG-CD1 3.8Å; P255-L294 WeakPolarHBondContact O-CD1 3.42Å; V258-L294 HydrophobicContact CG2-CB 4.12Å; V258-L294 HydrophobicContact CG2-CD1 3.82Å; F292-L294 VanDerWaalsContact C-N 3.32Å; F292-L294 PolarHBondContact O-N 2.85Å; L294-L296 PolarHBondContact O-N 2.87Å
295P98.8Very high98.5Very high36 Ų3625.8 Ų25.823%0.23414%0.137CC..  trans-51.9126.8164.1-24.534.2000110.4L125 D131 S256 A257 V258L125-P295 HydrophobicContact CB-CB 4.43Å; L125-P295 HydrophobicContact CD2-CB 3.93Å; D131-P295 WeakPolarHBondContact O-CA 3.33Å; S256-P295 WeakPolarHBondContact O-CD 3.39Å; A257-P295 HydrophobicContact CB-CB 4.32Å; V258-P295 PolarHBondContact N-O 3.49Å
296L98.9Very high98.5Very high3 Ų327.4 Ų27.42%0.01615%0.145CC..EExtended strand (participates in β ladder)trans-128.1119-170.8177.362.9000111.6D131 I132 A133 V258 L260 I289 L294 M298D131-L296 PolarHBondContact O-N 2.78Å; I132-L296 CarbonylContact C-O 3.54Å; I132-L296 VanDerWaalsContact CA-O 3.26Å; I132-L296 WeakPolarHBondContact CA-O 3.39Å; I132-L296 HydrophobicContact CG1-CB 4.39Å; A133-L296 PolarHBondContact N-O 2.78Å; V258-L296 HydrophobicContact CB-CD1 3.9Å; V258-L296 HydrophobicContact CG1-CD1 3.87Å; V258-L296 WeakPolarHBondContact O-CA 3.5Å; L260-L296 HydrophobicContact CB-CD1 4Å; I289-L296 HydrophobicContact CG2-CD1 4.02Å; L294-L296 PolarHBondContact O-N 2.87Å; L296-M298 HydrophobicContact CD1-CG 4.46Å; L296-M298 HydrophobicContact CD2-CG 3.95Å; L296-M298 HydrophobicContact CD2-SD 4.09Å; L296-M298 HydrophobicContact CG-CG 3.92Å
297L98.9Very high98.4Very high0 Ų032.2 Ų32.20%016%0.163CC..EExtended strand (participates in β ladder)trans-95.2117.8165.7-177.562.1000108.8L125 A133 A160 V258 V259 L260 L299L125-L297 HydrophobicContact CD1-CB 3.79Å; A133-L297 HydrophobicContact CB-CD1 3.8Å; A133-L297 CarbonylContact O-C 3.53Å; A133-L297 WeakPolarHBondContact O-CA 3.27Å; A160-L297 HydrophobicContact CB-CD2 3.63Å; V258-L297 PolarHBondContact O-N 2.72Å; V259-L297 CarbonylContact C-O 3.54Å; V259-L297 WeakPolarHBondContact CA-O 3.45Å; V259-L297 HydrophobicContact CG1-CB 4.37Å; V259-L297 HydrophobicContact CG1-CD2 4.16Å; V259-L297 HydrophobicContact CG1-CG 4.39Å; V259-L297 HydrophobicContact CG2-CB 4.17Å; V259-L297 HydrophobicContact CG2-CD2 4.23Å; L260-L297 PolarHBondContact N-O 3.47Å; L297-L299 HydrophobicContact CD1-CD2 3.94Å; L297-L299 HydrophobicContact CD2-CD1 4.3Å; L297-L299 HydrophobicContact CD2-CD2 4.04Å; L297-L299 HydrophobicContact CD2-CG 4.31Å; L297-L299 HydrophobicContact CG-CD2 3.76Å; L297-L299 HydrophobicContact CG-CG 4.03Å
298M98.9Very high98.5Very high0 Ų027.6 Ų27.60%014%0.142CC..EExtended strand (participates in β ladder)trans-100.6124.9172.9-64.817254.500109.3I132 A133 I134 N135 W136 L260 V286 L296 E316 A320I132-M298 HydrophobicContact CG2-CG 4.3Å; I132-M298 HydrophobicContact CG2-SD 3.89Å; A133-M298 PolarHBondContact O-N 2.84Å; I134-M298 CarbonylContact C-O 3.56Å; I134-M298 WeakPolarHBondContact CA-O 3.41Å; I134-M298 HydrophobicContact CD1-SD 4.44Å; I134-M298 HydrophobicContact CG1-CB 4.25Å; I134-M298 HydrophobicContact CG1-SD 4.36Å; I134-M298 HydrophobicContact CG2-CB 4.5Å; N135-M298 PolarHBondContact N-O 3.32Å; W136-M298 HydrophobicContact CH2-CB 4.43Å; W136-M298 HydrophobicContact CH2-CE 3.61Å; W136-M298 HydrophobicContact CZ2-CE 4.14Å; L260-M298 WeakPolarHBondContact O-CA 3.15Å; V286-M298 HydrophobicContact CG1-CE 3.53Å; V286-M298 HydrophobicContact CG1-SD 3.89Å; V286-M298 HydrophobicContact CG2-CE 4.11Å; L296-M298 HydrophobicContact CD1-CG 4.46Å; L296-M298 HydrophobicContact CD2-CG 3.95Å; L296-M298 HydrophobicContact CD2-SD 4.09Å; L296-M298 HydrophobicContact CG-CG 3.92Å; M298-E316 HydrophobicContact CE-CB 4.2Å; M298-A320 HydrophobicContact CE-CB 4.4Å; M298-A320 HydrophobicContact SD-CB 3.93Å
299L99Very high98.5Very high0 Ų025.3 Ų25.30%013%0.133CC..EExtended strand (participates in β ladder)trans-117.4162.1-178.5-59.7-178.4000110.8S118 N135 W136 I157 V259 L260 C262 L297S118-L299 VanDerWaalsContact OG-CD2 3.28Å; S118-L299 WeakPolarHBondContact OG-CD2 3.28Å; N135-L299 HydrophobicContact CB-CD2 3.91Å; N135-L299 WeakPolarHBondContact O-CA 3.38Å; W136-L299 WeakPolarHBondContact CZ3-O 3.32Å; I157-L299 HydrophobicContact CB-CD1 4.21Å; I157-L299 HydrophobicContact CD1-CD1 4.41Å; I157-L299 HydrophobicContact CG1-CD1 3.8Å; I157-L299 HydrophobicContact CG2-CD1 4.08Å; V259-L299 HydrophobicContact CG1-CD1 3.78Å; V259-L299 HydrophobicContact CG1-CG 4.3Å; L260-L299 PolarHBondContact O-N 2.84Å; C262-L299 WeakPolarHBondContact CB-O 3.35Å; C262-L299 PolarHBondContact N-O 2.94Å; L297-L299 HydrophobicContact CD1-CD2 3.94Å; L297-L299 HydrophobicContact CD2-CD1 4.3Å; L297-L299 HydrophobicContact CD2-CD2 4.04Å; L297-L299 HydrophobicContact CD2-CG 4.31Å; L297-L299 HydrophobicContact CG-CD2 3.76Å; L297-L299 HydrophobicContact CG-CG 4.03Å
300G98.9Very high98.5Very high0 Ų025.1 Ų25.10%013%0.132CC..  trans-69.7-136.6169.500000112.2N135 G138 Q261 C262 W313N135-G300 PolarHBondContact O-N 3.03Å; G138-G300 CarbonylContact O-C 3.59Å; G138-G300 VanDerWaalsContact O-CA 3.26Å; G138-G300 WeakPolarHBondContact O-CA 3.17Å; G138-G300 PolarHBondContact O-N 2.89Å; Q261-G300 WeakPolarHBondContact CG-O 3.45Å; C262-G300 CarbonylContact C-O 3.59Å; C262-G300 PolarHBondContact N-O 3.35Å; C262-G300 VanDerWaalsContact N-O 3.08Å; G300-W313 VanDerWaalsContact CA-CZ2 3.49Å
301G98.7Very high98.5Very high7 Ų724.7 Ų24.77%0.07213%0.13CC..  trans149.2-153.2-173.900000111.6R35 G138R35-G301 VanDerWaalsContact CZ-O 3.28Å; R35-G301 PolarHBondContact NH1-O 3.3Å; R35-G301 PolarHBondContact NH2-O 2.98Å; G138-G301 PolarHBondContact O-N 3.02Å
302G98Very high98.6Very high4 Ų421.5 Ų21.54%0.04111%0.108CC..  trans-61.7-174.4171.300000114.5R35 D177 A264 D265R35-G302 PolarHBondContact NH1-O 2.97Å; D177-G302 WeakPolarHBondContact OD2-CA 3.3Å; D177-G302 PolarHBondContact OD2-N 3.19Å; A264-G302 PolarHBondContact N-O 3.08Å; D265-G302 WeakPolarHBondContact OD2-CA 3.11Å
303G98.4Very high98.6Very high1 Ų118.3 Ų18.31%0.019%0.094CC..  trans120.6113.6-178.400000113.2R35 D265 V309R35-G303 PolarHBondContact NH1-O 2.9Å; D265-G303 PolarHBondContact OD2-N 3.22Å; G303-V309 VanDerWaalsContact C-CG2 3.5Å; G303-V309 WeakPolarHBondContact O-CG2 3.36Å
304Y98.6Very high98.7Very high13 Ų1313.6 Ų13.65%0.0517%0.069CC..  trans-124.6-17.5-164.2-51.4-73000113.1P30 M31 F151 D265 D270 R271 L272 I306P30-Y304 HydrophobicContact CB-CD1 3.88Å; P30-Y304 HydrophobicContact CB-CG 4.37Å; M31-Y304 HydrophobicContact CE-CE1 4.07Å; F151-Y304 AromaticContact CD2-CE1 3.92Å; F151-Y304 HydrophobicContact CD2-CE1 3.92Å; F151-Y304 WeakPolarHBondContact CD2-OH 3.39Å; F151-Y304 AromaticContact CE2-CE1 3.77Å; F151-Y304 HydrophobicContact CE2-CE1 3.77Å; F151-Y304 AromaticContact CE2-CZ 3.79Å; F151-Y304 WeakPolarHBondContact CE2-OH 3.42Å; D265-Y304 HydrophobicContact CB-CD2 3.91Å; D265-Y304 HydrophobicContact CB-CE2 3.83Å; D265-Y304 WeakPolarHBondContact OD2-CE2 3.49Å; D270-Y304 WeakPolarHBondContact OD1-CD2 3.33Å; D270-Y304 WeakPolarHBondContact OD2-CA 3.37Å; D270-Y304 PolarHBondContact OD2-N 3.23Å; R271-Y304 WeakPolarHBondContact CD-O 3.5Å; L272-Y304 HydrophobicContact CB-CD2 3.78Å; L272-Y304 HydrophobicContact CB-CE2 4.13Å; L272-Y304 HydrophobicContact CD1-CD1 4.17Å; L272-Y304 HydrophobicContact CD1-CD2 3.63Å; L272-Y304 HydrophobicContact CD1-CE1 4.16Å; L272-Y304 HydrophobicContact CD1-CE2 3.63Å; L272-Y304 HydrophobicContact CD1-CG 3.92Å; L272-Y304 HydrophobicContact CG-CD2 3.66Å; L272-Y304 HydrophobicContact CG-CE2 4.12Å; L272-Y304 HydrophobicContact CG-CG 3.96Å; Y304-I306 VanDerWaalsContact C-N 3.33Å; Y304-I306 PolarHBondContact O-N 2.95Å
305T98.6Very high98.7Very high19 Ų1913.4 Ų13.412%0.1177%0.066CC..SBendtrans-81.579.6158.3-680000109.4G269 D270 R271 R307 N308 V309G269-T305 WeakPolarHBondContact O-CB 3.34Å; G269-T305 PolarHBondContact O-OG1 3.19Å; D270-T305 WeakPolarHBondContact CA-OG1 3.48Å; D270-T305 PolarHBondContact OD2-N 2.85Å; R271-T305 WeakPolarHBondContact CG-OG1 3.44Å; R271-T305 PolarHBondContact N-OG1 3.34Å; T305-R307 HydrophobicContact CG2-CG 3.95Å; T305-R307 PolarHBondContact O-N 2.85Å; T305-N308 HydrophobicContact CG2-CB 4.06Å; T305-N308 WeakPolarHBondContact O-CA 3.37Å; T305-N308 WeakPolarHBondContact O-CB 3.36Å; T305-N308 PolarHBondContact O-N 3.11Å; T305-V309 PolarHBondContact O-N 3.06Å
306I98.4Very high98.7Very high37 Ų3711.7 Ų11.719%0.196%0.055CC..Hα-helixtrans-52.2-32.3-166.866.1179.4000115.9K32 R35 M38 Y304 N308 V309 A310 Y337K32-I306 HydrophobicContact CB-CG2 4.05Å; R35-I306 HydrophobicContact CB-CB 3.93Å; R35-I306 HydrophobicContact CB-CG2 3.95Å; M38-I306 HydrophobicContact SD-CB 4.29Å; M38-I306 HydrophobicContact SD-CD1 3.77Å; M38-I306 HydrophobicContact SD-CG1 3.95Å; Y304-I306 VanDerWaalsContact C-N 3.33Å; Y304-I306 PolarHBondContact O-N 2.95Å; I306-N308 VanDerWaalsContact C-N 3.34Å; I306-N308 PolarHBondContact O-N 3.43Å; I306-V309 PolarHBondContact O-N 3.47Å; I306-A310 PolarHBondContact O-N 2.86Å; I306-Y337 HydrophobicContact CD1-CD1 4.43Å; I306-Y337 HydrophobicContact CD1-CE1 4.27Å
307R98.4Very high98.7Very high102 Ų10211.6 Ų11.639%0.3855%0.054SC..Hα-helixtrans-65-35.3174.763.3-178.8-179.7173.8-0.7112.6T305 R311 Y337 F338 G339T305-R307 HydrophobicContact CG2-CG 3.95Å; T305-R307 PolarHBondContact O-N 2.85Å; R307-R311 WeakPolarHBondContact O-CD 3.34Å; R307-R311 WeakPolarHBondContact O-CG 3.24Å; R307-R311 PolarHBondContact O-N 3.43Å; R307-R311 VanDerWaalsContact O-N 3.16Å; R307-Y337 VanDerWaalsContact CD-O 3.29Å; R307-Y337 WeakPolarHBondContact CD-O 3.35Å; R307-F338 HydrophobicContact CB-CD1 4.08Å; R307-F338 HydrophobicContact CB-CE1 4.12Å; R307-F338 WeakPolarHBondContact O-CE1 3.28Å; R307-G339 PolarHBondContact NH1-O 3.12Å
308N98.7Very high98.7Very high14 Ų1411.6 Ų11.68%0.0756%0.055CC..Hα-helixtrans-77.8-34.5177.3-69.41.4000111L267 S268 T305 I306 R311 C312L267-N308 HydrophobicContact CD1-CB 4.34Å; S268-N308 PolarHBondContact O-ND2 2.96Å; T305-N308 HydrophobicContact CG2-CB 4.06Å; T305-N308 WeakPolarHBondContact O-CA 3.37Å; T305-N308 WeakPolarHBondContact O-CB 3.36Å; T305-N308 PolarHBondContact O-N 3.11Å; I306-N308 VanDerWaalsContact C-N 3.34Å; I306-N308 PolarHBondContact O-N 3.43Å; N308-R311 PolarHBondContact O-N 3.22Å; N308-R311 PolarHBondContact OD1-NH1 2.86Å; N308-C312 VanDerWaalsContact O-CB 3.27Å; N308-C312 WeakPolarHBondContact O-CB 3.35Å; N308-C312 PolarHBondContact O-N 3.25Å
309V98.9Very high98.7Very high1 Ų112.9 Ų12.91%0.0066%0.062CC..Hα-helixtrans-57.9-52.1170.3-176.60000110.5R35 A264 G303 T305 I306 R311 C312 W313R35-V309 HydrophobicContact CB-CB 4.44Å; R35-V309 HydrophobicContact CB-CG1 4.28Å; R35-V309 HydrophobicContact CG-CG1 4.15Å; A264-V309 HydrophobicContact CB-CB 4.33Å; A264-V309 HydrophobicContact CB-CG1 4.14Å; A264-V309 HydrophobicContact CB-CG2 4.03Å; G303-V309 VanDerWaalsContact C-CG2 3.5Å; G303-V309 WeakPolarHBondContact O-CG2 3.36Å; T305-V309 PolarHBondContact O-N 3.06Å; I306-V309 PolarHBondContact O-N 3.47Å; V309-R311 VanDerWaalsContact C-N 3.32Å; V309-R311 PolarHBondContact O-N 3.42Å; V309-C312 PolarHBondContact O-N 3.37Å; V309-C312 VanDerWaalsContact O-N 3.08Å; V309-W313 HydrophobicContact CG1-CD2 3.65Å; V309-W313 HydrophobicContact CG1-CE3 3.51Å; V309-W313 HydrophobicContact CG1-CG 4.48Å; V309-W313 HydrophobicContact CG1-CH2 3.74Å; V309-W313 HydrophobicContact CG1-CZ2 3.81Å; V309-W313 HydrophobicContact CG1-CZ3 3.57Å; V309-W313 PolarHBondContact O-N 2.95Å
310A98.9Very high98.7Very high0 Ų012.9 Ų12.90%06%0.062CC..Hα-helixtrans-59.6-41.5179.500000112.4M38 T39 L42 I306 T314 F338M38-A310 HydrophobicContact CB-CB 3.8Å; T39-A310 WeakPolarHBondContact OG1-CA 3.43Å; L42-A310 HydrophobicContact CD1-CB 4.05Å; I306-A310 PolarHBondContact O-N 2.86Å; A310-T314 WeakPolarHBondContact O-CB 3.37Å; A310-T314 PolarHBondContact O-N 3.11Å; A310-T314 PolarHBondContact O-OG1 3.19Å; A310-F338 HydrophobicContact CB-CE1 4.19Å; A310-F338 HydrophobicContact CB-CZ 4.16Å
311R98.9Very high98.7Very high6 Ų613.6 Ų13.62%0.0237%0.066CC..Hα-helixtrans-62.7-43.4172.9-71.9162.4158.4157.8-7.5112.6I279 R307 N308 V309 F315 F338 D341 K343 L344I279-R311 HydrophobicContact CD1-CB 3.49Å; I279-R311 VanDerWaalsContact CD1-CB 3.49Å; I279-R311 HydrophobicContact CD1-CG 4.46Å; R307-R311 WeakPolarHBondContact O-CD 3.34Å; R307-R311 WeakPolarHBondContact O-CG 3.24Å; R307-R311 PolarHBondContact O-N 3.43Å; R307-R311 VanDerWaalsContact O-N 3.16Å; N308-R311 PolarHBondContact O-N 3.22Å; N308-R311 PolarHBondContact OD1-NH1 2.86Å; V309-R311 VanDerWaalsContact C-N 3.32Å; V309-R311 PolarHBondContact O-N 3.42Å; R311-F315 PolarHBondContact O-N 3.1Å; R311-F315 VanDerWaalsContact O-N 3.11Å; R311-F338 HydrophobicContact CG-CD1 4.05Å; R311-F338 HydrophobicContact CG-CE1 4.04Å; R311-D341 IonicContact NH2-OD1 3.11Å; R311-D341 PolarHBondContact NH2-OD1 3.41Å; R311-D341 VanDerWaalsContact NH2-OD1 3.11Å; R311-D341 IonicContact NH2-OD2 2.99Å; R311-D341 PolarHBondContact NH2-OD2 3.19Å; R311-K343 VanDerWaalsContact CZ-O 3.22Å; R311-K343 PolarHBondContact NE-O 3.46Å; R311-K343 PolarHBondContact NH2-O 3.44Å; R311-L344 HydrophobicContact CB-CD1 4.08Å; R311-L344 WeakPolarHBondContact CB-O 3.45Å; R311-L344 VanDerWaalsContact CD-O 3.28Å; R311-L344 WeakPolarHBondContact CD-O 2.95Å; R311-L344 HydrophobicContact CG-CD1 4.32Å; R311-L344 WeakPolarHBondContact CG-O 3.43Å; R311-L344 WeakPolarHBondContact O-CD1 3.16Å
312C98.9Very high98.6Very high0 Ų018.4 Ų18.40%09%0.09CC..Hα-helixtrans-65.5-60.9-176.1-172.20000111.8L267 I279 N308 V309 T314 F315 E316L267-C312 HydrophobicContact CD1-CB 3.69Å; I279-C312 HydrophobicContact CG1-CB 4.06Å; N308-C312 VanDerWaalsContact O-CB 3.27Å; N308-C312 WeakPolarHBondContact O-CB 3.35Å; N308-C312 PolarHBondContact O-N 3.25Å; V309-C312 PolarHBondContact O-N 3.37Å; V309-C312 VanDerWaalsContact O-N 3.08Å; C312-T314 PolarHBondContact O-N 3.21Å; C312-F315 WeakPolarHBondContact O-CA 3.36Å; C312-F315 WeakPolarHBondContact O-CB 3.34Å; C312-F315 PolarHBondContact O-N 3.48Å; C312-E316 WeakPolarHBondContact O-CG 3.49Å; C312-E316 PolarHBondContact O-N 3.24Å
313W98.9Very high98.5Very high0 Ų019.1 Ų19.10%09%0.094CC..Hα-helixtrans-63-29.1-178.8-65.7-18.3000112.8R35 I36 T39 W136 C262 G300 V309 T317R35-W313 HydrophobicContact CG-CZ3 4.27Å; R35-W313 VanDerWaalsContact NH1-CH2 3.29Å; I36-W313 HydrophobicContact CG1-CZ3 4.13Å; T39-W313 HydrophobicContact CG2-CB 3.6Å; T39-W313 HydrophobicContact CG2-CE3 4.43Å; W136-W313 HydrophobicContact CB-CD2 4.29Å; W136-W313 HydrophobicContact CB-CE3 3.75Å; W136-W313 HydrophobicContact CB-CZ3 3.95Å; W136-W313 HydrophobicContact CD2-CB 3.84Å; W136-W313 HydrophobicContact CD2-CD2 4.07Å; W136-W313 HydrophobicContact CD2-CE3 4.4Å; W136-W313 AromaticContact CD2-CG 3.84Å; W136-W313 HydrophobicContact CD2-CG 3.84Å; W136-W313 HydrophobicContact CE3-CB 4.3Å; W136-W313 AromaticContact CE3-CD1 3.89Å; W136-W313 HydrophobicContact CE3-CD2 4.02Å; W136-W313 AromaticContact CE3-CG 3.85Å; W136-W313 HydrophobicContact CE3-CG 3.85Å; W136-W313 HydrophobicContact CG-CB 4.17Å; W136-W313 HydrophobicContact CG-CD2 4.2Å; W136-W313 HydrophobicContact CG-CE3 4.04Å; W136-W313 HydrophobicContact CG-CG 4.3Å; W136-W313 HydrophobicContact CH2-CB 4.4Å; W136-W313 HydrophobicContact CH2-CG 4.38Å; W136-W313 HydrophobicContact CZ2-CB 3.97Å; W136-W313 HydrophobicContact CZ2-CG 4.4Å; W136-W313 WeakPolarHBondContact CZ2-O 3.44Å; W136-W313 AromaticContact CZ3-CD1 3.79Å; W136-W313 HydrophobicContact CZ3-CG 4.14Å; W136-W313 WeakPolarHBondContact O-CH2 3.12Å; W136-W313 WeakPolarHBondContact O-CZ3 3.14Å; C262-W313 PolarHBondContact O-NE1 3.03Å; G300-W313 VanDerWaalsContact CA-CZ2 3.49Å; V309-W313 HydrophobicContact CG1-CD2 3.65Å; V309-W313 HydrophobicContact CG1-CE3 3.51Å; V309-W313 HydrophobicContact CG1-CG 4.48Å; V309-W313 HydrophobicContact CG1-CH2 3.74Å; V309-W313 HydrophobicContact CG1-CZ2 3.81Å; V309-W313 HydrophobicContact CG1-CZ3 3.57Å; V309-W313 PolarHBondContact O-N 2.95Å; W313-T317 WeakPolarHBondContact O-CB 3.41Å; W313-T317 PolarHBondContact O-N 3.12Å; W313-T317 PolarHBondContact O-OG1 2.79Å
314T98.9Very high98.3Very high0 Ų024.9 Ų24.90%014%0.135CC..Hα-helixtrans-61.7-48.4168.9-65.10000111.7L42 L43 Y46 A310 C312 T317 A318 I325 L344L42-T314 HydrophobicContact CB-CG2 4.07Å; L42-T314 WeakPolarHBondContact CB-OG1 3.4Å; L43-T314 HydrophobicContact CD2-CG2 4.21Å; Y46-T314 HydrophobicContact CD2-CG2 3.57Å; Y46-T314 HydrophobicContact CE2-CG2 3.81Å; A310-T314 WeakPolarHBondContact O-CB 3.37Å; A310-T314 PolarHBondContact O-N 3.11Å; A310-T314 PolarHBondContact O-OG1 3.19Å; C312-T314 PolarHBondContact O-N 3.21Å; T314-T317 PolarHBondContact O-N 3.13Å; T314-A318 PolarHBondContact O-N 3.07Å; T314-A318 VanDerWaalsContact O-N 3.17Å; T314-I325 HydrophobicContact CG2-CD1 4.22Å; T314-L344 HydrophobicContact CG2-CD1 4.33Å
315F98.9Very high98.3Very high39 Ų3925.1 Ų25.117%0.17114%0.137CC..Hα-helixtrans-68.2-38.5179-172.6-112.9000112.2I279 A283 R311 C312 A318 V319 I325 L344 H345I279-F315 HydrophobicContact CG2-CB 3.67Å; I279-F315 HydrophobicContact CG2-CD1 3.6Å; I279-F315 HydrophobicContact CG2-CG 3.87Å; A283-F315 HydrophobicContact CB-CD1 3.58Å; A283-F315 HydrophobicContact CB-CE1 3.71Å; R311-F315 PolarHBondContact O-N 3.1Å; R311-F315 VanDerWaalsContact O-N 3.11Å; C312-F315 WeakPolarHBondContact O-CA 3.36Å; C312-F315 WeakPolarHBondContact O-CB 3.34Å; C312-F315 PolarHBondContact O-N 3.48Å; F315-A318 CarbonylContact O-C 3.57Å; F315-A318 WeakPolarHBondContact O-CA 3.46Å; F315-A318 VanDerWaalsContact O-CB 3.28Å; F315-A318 WeakPolarHBondContact O-CB 3.46Å; F315-A318 PolarHBondContact O-N 2.58Å; F315-A318 VanDerWaalsContact O-N 3.08Å; F315-V319 HydrophobicContact CD1-CG2 4.42Å; F315-V319 HydrophobicContact CE1-CG2 4.13Å; F315-V319 HydrophobicContact CZ-CG2 4.39Å; F315-V319 WeakPolarHBondContact O-CG2 3.29Å; F315-V319 PolarHBondContact O-N 2.97Å; F315-I325 HydrophobicContact CD2-CD1 4.25Å; F315-I325 HydrophobicContact CD2-CG1 4.22Å; F315-L344 HydrophobicContact CB-CD2 4.22Å; F315-L344 HydrophobicContact CD2-CD2 3.79Å; F315-L344 HydrophobicContact CG-CD2 4.37Å; F315-H345 AromaticContact CD2-CE1 3.8Å; F315-H345 AromaticContact CE2-CE1 3.57Å; F315-H345 AromaticContact CZ-CE1 3.72Å
316E98.9Very high98.3Very high0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-67.8-34.9177-68.2-171.9141.900113W136 C262 H282 A283 V286 M298 C312 A318 V319 A320W136-E316 HydrophobicContact CH2-CB 4.04Å; W136-E316 HydrophobicContact CZ2-CB 4.2Å; C262-E316 WeakPolarHBondContact CB-OE2 3.38Å; H282-E316 IonicContact CE1-OE1 3.55Å; H282-E316 PolarHBondContact CE1-OE1 2.89Å; H282-E316 IonicContact CG-OE1 2.71Å; H282-E316 IonicContact ND1-OE1 3.12Å; H282-E316 PolarHBondContact ND1-OE1 3.31Å; H282-E316 IonicContact ND1-OE2 3.17Å; A283-E316 HydrophobicContact CB-CG 3.8Å; V286-E316 HydrophobicContact CG2-CB 4.3Å; V286-E316 HydrophobicContact CG2-CG 4.02Å; V286-E316 VanDerWaalsContact CG2-OE1 3.29Å; V286-E316 WeakPolarHBondContact CG2-OE1 3.5Å; M298-E316 HydrophobicContact CE-CB 4.2Å; C312-E316 WeakPolarHBondContact O-CG 3.49Å; C312-E316 PolarHBondContact O-N 3.24Å; E316-A318 VanDerWaalsContact C-N 3.28Å; E316-A318 PolarHBondContact O-N 3.27Å; E316-V319 PolarHBondContact O-N 3Å; E316-A320 PolarHBondContact O-N 3.28Å
317T98.9Very high98.3Very high0 Ų029.2 Ų29.20%016%0.163CC..Hα-helixtrans-62.5-38.8169.3-52.70000110.7L43 M52 I134 W136 W313 T314 A320 L321L43-T317 HydrophobicContact CD1-CG2 4.38Å; L43-T317 HydrophobicContact CD2-CG2 3.64Å; M52-T317 HydrophobicContact CE-CG2 4.43Å; M52-T317 HydrophobicContact SD-CG2 3.82Å; I134-T317 HydrophobicContact CD1-CG2 4.08Å; W136-T317 WeakPolarHBondContact CZ2-OG1 3.44Å; W136-T317 PolarHBondContact NE1-OG1 3.5Å; W313-T317 WeakPolarHBondContact O-CB 3.41Å; W313-T317 PolarHBondContact O-N 3.12Å; W313-T317 PolarHBondContact O-OG1 2.79Å; T314-T317 PolarHBondContact O-N 3.13Å; T317-A320 WeakPolarHBondContact O-CB 3.38Å; T317-A320 PolarHBondContact O-N 2.76Å; T317-L321 HydrophobicContact CG2-CD1 4.05Å; T317-L321 WeakPolarHBondContact O-CB 3.15Å; T317-L321 WeakPolarHBondContact O-CD1 3.45Å; T317-L321 VanDerWaalsContact O-CG 3.29Å; T317-L321 WeakPolarHBondContact O-CG 3.44Å; T317-L321 PolarHBondContact O-N 2.84Å; T317-L321 VanDerWaalsContact O-N 3.07Å
318A98.8Very high98.3Very high1 Ų129.4 Ų29.41%0.00817%0.168CC..Hα-helixtrans-65.8-36.9174.800000112.5L48 T314 F315 E316 L321 D322 S323 I325L48-A318 HydrophobicContact CD1-CB 3.97Å; L48-A318 HydrophobicContact CD2-CB 4.21Å; T314-A318 PolarHBondContact O-N 3.07Å; T314-A318 VanDerWaalsContact O-N 3.17Å; F315-A318 CarbonylContact O-C 3.57Å; F315-A318 WeakPolarHBondContact O-CA 3.46Å; F315-A318 VanDerWaalsContact O-CB 3.28Å; F315-A318 WeakPolarHBondContact O-CB 3.46Å; F315-A318 PolarHBondContact O-N 2.58Å; F315-A318 VanDerWaalsContact O-N 3.08Å; E316-A318 VanDerWaalsContact C-N 3.28Å; E316-A318 PolarHBondContact O-N 3.27Å; A318-L321 CarbonylContact O-C 3.59Å; A318-L321 PolarHBondContact O-N 2.98Å; A318-D322 PolarHBondContact O-N 3.26Å; A318-S323 WeakPolarHBondContact CB-O 3.34Å; A318-S323 PolarHBondContact O-N 3.09Å; A318-I325 HydrophobicContact CB-CD1 3.76Å; A318-I325 HydrophobicContact CB-CG1 3.95Å; A318-I325 HydrophobicContact CB-CG2 4.18Å
319V98.6Very high98.3Very high27 Ų2729.4 Ų29.416%0.16417%0.168CC..Hα-helixtrans-64.8-44.3171.7171.60000111.4A283 V286 E287 K290 F315 E316 L321 D322A283-V319 HydrophobicContact CB-CG2 4.26Å; V286-V319 HydrophobicContact CB-CG1 4.37Å; V286-V319 HydrophobicContact CG1-CG1 4Å; E287-V319 HydrophobicContact CB-CG1 3.94Å; K290-V319 PolarHBondContact NZ-O 2.96Å; F315-V319 HydrophobicContact CD1-CG2 4.42Å; F315-V319 HydrophobicContact CE1-CG2 4.13Å; F315-V319 HydrophobicContact CZ-CG2 4.39Å; F315-V319 WeakPolarHBondContact O-CG2 3.29Å; F315-V319 PolarHBondContact O-N 2.97Å; E316-V319 PolarHBondContact O-N 3Å; V319-L321 PolarHBondContact O-N 3.47Å; V319-D322 PolarHBondContact O-N 3.48Å
320A98.4Very high98.2Very high0 Ų030.9 Ų30.90%018%0.177CC..Hα-helixtrans-56-36.7173.400000111.8I132 I134 K290 M298 E316 T317I132-A320 HydrophobicContact CD1-CB 4.1Å; I134-A320 HydrophobicContact CD1-CB 3.92Å; K290-A320 VanDerWaalsContact CE-O 3.26Å; K290-A320 WeakPolarHBondContact CE-O 3.38Å; K290-A320 PolarHBondContact NZ-O 2.72Å; M298-A320 HydrophobicContact CE-CB 4.4Å; M298-A320 HydrophobicContact SD-CB 3.93Å; E316-A320 PolarHBondContact O-N 3.28Å; T317-A320 WeakPolarHBondContact O-CB 3.38Å; T317-A320 PolarHBondContact O-N 2.76Å
321L98.2Very high98.2Very high15 Ų1538.6 Ų38.68%0.07921%0.208CC..THydrogen-bonded Turntrans-87.96.7-178.9-70.6169.9000116.4V12 L48 K51 M52 T317 A318 V319 S323V12-L321 HydrophobicContact CB-CD2 3.85Å; V12-L321 HydrophobicContact CG1-CD2 4.4Å; V12-L321 HydrophobicContact CG2-CD2 3.64Å; V12-L321 HydrophobicContact CG2-CG 4.3Å; L48-L321 HydrophobicContact CB-CD1 4.13Å; L48-L321 HydrophobicContact CD2-CD1 4.06Å; K51-L321 HydrophobicContact CB-CD1 4.19Å; K51-L321 HydrophobicContact CB-CD2 3.91Å; K51-L321 WeakPolarHBondContact O-CD2 3.18Å; M52-L321 HydrophobicContact CB-CD2 4.19Å; M52-L321 HydrophobicContact SD-CD1 4.26Å; T317-L321 HydrophobicContact CG2-CD1 4.05Å; T317-L321 WeakPolarHBondContact O-CB 3.15Å; T317-L321 WeakPolarHBondContact O-CD1 3.45Å; T317-L321 VanDerWaalsContact O-CG 3.29Å; T317-L321 WeakPolarHBondContact O-CG 3.44Å; T317-L321 PolarHBondContact O-N 2.84Å; T317-L321 VanDerWaalsContact O-N 3.07Å; A318-L321 CarbonylContact O-C 3.59Å; A318-L321 PolarHBondContact O-N 2.98Å; V319-L321 PolarHBondContact O-N 3.47Å; L321-S323 PolarHBondContact O-N 3.04Å; L321-S323 VanDerWaalsContact O-N 3.08Å; L321-S323 PolarHBondContact O-OG 3.4Å
322D96.9Very high98.1Very high108 Ų10838.3 Ų38.358%0.57821%0.207SC*.THydrogen-bonded Turntrans47.138.3-172.8-64.3-58000112.5K290 A318 V319K290-D322 IonicContact NZ-OD1 2.67Å; K290-D322 PolarHBondContact NZ-OD1 3.03Å; K290-D322 IonicContact NZ-OD2 3.74Å; K290-D322 PolarHBondContact NZ-OD2 3.36Å; A318-D322 PolarHBondContact O-N 3.26Å; V319-D322 PolarHBondContact O-N 3.48Å
323S95.8Very high98.1Very high18 Ų1843.3 Ų43.313%0.12623%0.233CC..  trans-117.1115.1-168.7-77.20000111.1K51 A318 L321K51-S323 WeakPolarHBondContact CD-OG 3.34Å; K51-S323 PolarHBondContact NZ-OG 2.95Å; A318-S323 WeakPolarHBondContact CB-O 3.34Å; A318-S323 PolarHBondContact O-N 3.09Å; L321-S323 PolarHBondContact O-N 3.04Å; L321-S323 VanDerWaalsContact O-N 3.08Å; L321-S323 PolarHBondContact O-OG 3.4Å
324S95.8Very high98Very high123 Ų12344.5 Ų44.586%0.8624%0.238SC*.  trans-68.5131.4167.4-172.60000110.2
325I97.9Very high97.9Very high17 Ų1746.6 Ų46.69%0.08725%0.247CC..  trans-123.7146172.655.4171.7000109.8Y46 L48 T314 F315 A318 L344Y46-I325 HydrophobicContact CD1-CB 3.84Å; Y46-I325 HydrophobicContact CD1-CD1 4.3Å; Y46-I325 HydrophobicContact CD1-CG2 4.03Å; Y46-I325 HydrophobicContact CD2-CD1 4.36Å; Y46-I325 HydrophobicContact CE1-CB 3.88Å; Y46-I325 HydrophobicContact CE1-CD1 4.21Å; Y46-I325 HydrophobicContact CE1-CG1 4.44Å; Y46-I325 HydrophobicContact CE2-CD1 4.26Å; Y46-I325 HydrophobicContact CG-CD1 4.37Å; Y46-I325 HydrophobicContact CG-CG2 4.48Å; L48-I325 HydrophobicContact CD1-CD1 4.48Å; L48-I325 HydrophobicContact CD1-CG2 4.33Å; L48-I325 HydrophobicContact CD2-CG2 3.88Å; L48-I325 HydrophobicContact CG-CG2 4.3Å; T314-I325 HydrophobicContact CG2-CD1 4.22Å; F315-I325 HydrophobicContact CD2-CD1 4.25Å; F315-I325 HydrophobicContact CD2-CG1 4.22Å; A318-I325 HydrophobicContact CB-CD1 3.76Å; A318-I325 HydrophobicContact CB-CG1 3.95Å; A318-I325 HydrophobicContact CB-CG2 4.18Å; I325-L344 HydrophobicContact CD1-CD2 3.52Å; I325-L344 HydrophobicContact CG1-CD2 3.92Å
326P98.1Very high97.9Very high81 Ų8150.8 Ų50.853%0.52627%0.267SS..  trans-69.6151.3-178.828.1-33.9000111.7Y46 E328Y46-P326 HydrophobicContact CE1-CG 3.99Å; Y46-P326 WeakPolarHBondContact CE1-O 3.38Å; Y46-P326 PolarHBondContact OH-O 3.2Å; P326-E328 PolarHBondContact O-N 3.15Å
327N98.3Very high97.8Very high62 Ų6256.4 Ų56.433%0.33229%0.289SS..SBendtrans-70.8-16.4175.2-171.246.5000113.1K343 L344 H345N327-K343 CarbonylContact O-C 3.5Å; N327-K343 WeakPolarHBondContact O-CA 3.48Å; N327-L344 PolarHBondContact O-N 3.01Å; N327-L344 PolarHBondContact OD1-N 2.94Å; N327-H345 WeakPolarHBondContact OD1-CB 3.49Å; N327-H345 PolarHBondContact OD1-CD2 3.18Å; N327-H345 PolarHBondContact OD1-N 3.17Å
328E98.2Very high97.8Very high106 Ų10656.4 Ų56.450%0.49529%0.289SS..BIsolated β-bridgetrans-70.5126.4167.8-56.6-55.3137.600109Y46 P326 K343Y46-E328 PolarHBondContact OH-O 2.93Å; Y46-E328 VanDerWaalsContact OH-O 3.05Å; P326-E328 PolarHBondContact O-N 3.15Å; E328-K343 IonicContact OE1-NZ 3.92Å; E328-K343 PolarHBondContact OE1-NZ 2.86Å; E328-K343 IonicContact OE2-NZ 2.99Å; E328-K343 PolarHBondContact OE2-NZ 3.26Å
329L98.4Very high97.4Very high13 Ų1357.2 Ų57.27%0.06830%0.298CS..PPolyproline II helixtrans-72136.4171.7-69171.5000109.7L42 Y46 F335 F338 F342 K343 L344L42-L329 HydrophobicContact CD1-CD2 4.39Å; L42-L329 HydrophobicContact CD2-CD2 4.03Å; Y46-L329 HydrophobicContact CE2-CD2 3.98Å; L329-F335 HydrophobicContact CB-CE2 4.16Å; L329-F338 HydrophobicContact CD1-CB 3.28Å; L329-F338 HydrophobicContact CD1-CD1 3.7Å; L329-F338 HydrophobicContact CD1-CD2 3.92Å; L329-F338 HydrophobicContact CD1-CG 3.35Å; L329-F342 WeakPolarHBondContact CB-O 3.49Å; L329-F342 WeakPolarHBondContact CG-O 3.25Å; L329-F342 PolarHBondContact N-O 2.83Å; L329-K343 WeakPolarHBondContact CD1-O 3.28Å; L329-L344 HydrophobicContact CD2-CB 4.17Å; L329-L344 HydrophobicContact CD2-CD1 3.97Å
330P98.1Very high97.3Very high32 Ų3261.8 Ų61.821%0.20833%0.328CS..PPolyproline II helixtrans-69.3154.4168.332.1-35.4000110N45 Y46 N332 F335N45-P330 HydrophobicContact CB-CB 3.99Å; N45-P330 HydrophobicContact CB-CG 3.71Å; Y46-P330 HydrophobicContact CD1-CG 4.21Å; Y46-P330 HydrophobicContact CD2-CG 3.93Å; Y46-P330 HydrophobicContact CE1-CG 4.4Å; Y46-P330 VanDerWaalsContact CE2-CD 3.48Å; Y46-P330 HydrophobicContact CE2-CG 4.13Å; Y46-P330 HydrophobicContact CG-CG 3.98Å; Y46-P330 VanDerWaalsContact CZ-CD 3.42Å; P330-N332 PolarHBondContact O-ND2 3.19Å; P330-F335 WeakPolarHBondContact O-CD2 3.19Å
331Y97.8Very high97.2Very high162 Ų16264.8 Ų64.864%0.63534%0.344SS*.PPolyproline II helixtrans-57.2141169-173.9-103.7000110N45 F335N45-Y331 WeakPolarHBondContact CB-O 3.44Å; N45-Y331 PolarHBondContact OD1-O 3.29Å; Y331-F335 HydrophobicContact CD2-CB 4.05Å; Y331-F335 HydrophobicContact CD2-CD1 4.23Å; Y331-F335 HydrophobicContact CD2-CD2 4.47Å; Y331-F335 HydrophobicContact CD2-CG 4.01Å; Y331-F335 HydrophobicContact CE2-CB 4.16Å; Y331-F335 HydrophobicContact CE2-CG 4.48Å
332N97.6Very high97.1Very high1 Ų167.3 Ų67.31%0.00536%0.355CS..  trans-162.2166.3-172.37085.7000109.3N41 L42 N45 P330 Y334 F335N41-N332 WeakPolarHBondContact OD1-CB 3.49Å; L42-N332 HydrophobicContact CD2-CB 4.43Å; L42-N332 WeakPolarHBondContact CD2-ND2 3.38Å; N45-N332 HydrophobicContact CB-CB 4.25Å; N45-N332 WeakPolarHBondContact ND2-CB 3.4Å; P330-N332 PolarHBondContact O-ND2 3.19Å; N332-Y334 PolarHBondContact O-N 3.45Å; N332-Y334 VanDerWaalsContact OD1-C 3.26Å; N332-Y334 WeakPolarHBondContact OD1-CA 3.4Å; N332-Y334 PolarHBondContact OD1-N 2.8Å; N332-F335 WeakPolarHBondContact O-CB 3.4Å; N332-F335 PolarHBondContact O-N 2.88Å; N332-F335 VanDerWaalsContact O-N 3.08Å; N332-F335 PolarHBondContact OD1-N 2.9Å
333D97.8Very high97.2Very high105 Ų10565.2 Ų65.256%0.56134%0.34SS*.THydrogen-bonded Turntrans-64.7-12.8-172.6-56.9-26.5000113.8N41N41-D333 PolarHBondContact ND2-OD2 3.33Å; N41-D333 PolarHBondContact OD1-N 2.77Å
334Y97.8Very high97.3Very high25 Ų2564.4 Ų64.410%0.09833%0.334CS..THydrogen-bonded Turntrans-12219.9-178-50.1-65.8000112.2H34 R37 M38 N41 N332 E336 Y337 F338H34-Y334 AromaticContact CE1-CE1 3.58Å; H34-Y334 AromaticContact CE1-CZ 3.7Å; H34-Y334 AromaticContact NE2-CD1 3.81Å; H34-Y334 AromaticContact NE2-CE1 3.36Å; H34-Y334 WeakPolarHBondContact NE2-CE1 3.36Å; H34-Y334 AromaticContact NE2-CZ 3.76Å; R37-Y334 WeakPolarHBondContact CD-OH 3.23Å; R37-Y334 HydrophobicContact CG-CE2 4.27Å; R37-Y334 PolarHBondContact NE-OH 3.43Å; M38-Y334 HydrophobicContact CB-CD2 4.25Å; M38-Y334 HydrophobicContact CG-CD2 3.9Å; M38-Y334 HydrophobicContact CG-CE2 4.32Å; M38-Y334 HydrophobicContact CG-CG 4.01Å; N41-Y334 HydrophobicContact CB-CD2 4.07Å; N41-Y334 HydrophobicContact CB-CE2 3.93Å; N332-Y334 PolarHBondContact O-N 3.45Å; N332-Y334 VanDerWaalsContact OD1-C 3.26Å; N332-Y334 WeakPolarHBondContact OD1-CA 3.4Å; N332-Y334 PolarHBondContact OD1-N 2.8Å; Y334-E336 PolarHBondContact O-N 3.1Å; Y334-E336 VanDerWaalsContact O-N 3.1Å; Y334-Y337 HydrophobicContact CD1-CE2 4.33Å; Y334-Y337 WeakPolarHBondContact O-CB 3.3Å; Y334-Y337 PolarHBondContact O-N 3.35Å; Y334-F338 WeakPolarHBondContact O-CD2 3.49Å; Y334-F338 WeakPolarHBondContact O-CE2 3.37Å
335F97.3Very high97.4Very high43 Ų4360.4 Ų60.419%0.18930%0.302CS..G310 helixtrans-53.4-37.6-170.3-171.2-105.5000113.4L329 P330 Y331 N332 Y337 F338 F342L329-F335 HydrophobicContact CB-CE2 4.16Å; P330-F335 WeakPolarHBondContact O-CD2 3.19Å; Y331-F335 HydrophobicContact CD2-CB 4.05Å; Y331-F335 HydrophobicContact CD2-CD1 4.23Å; Y331-F335 HydrophobicContact CD2-CD2 4.47Å; Y331-F335 HydrophobicContact CD2-CG 4.01Å; Y331-F335 HydrophobicContact CE2-CB 4.16Å; Y331-F335 HydrophobicContact CE2-CG 4.48Å; N332-F335 WeakPolarHBondContact O-CB 3.4Å; N332-F335 PolarHBondContact O-N 2.88Å; N332-F335 VanDerWaalsContact O-N 3.08Å; N332-F335 PolarHBondContact OD1-N 2.9Å; F335-Y337 VanDerWaalsContact C-N 3.26Å; F335-Y337 PolarHBondContact O-N 3.19Å; F335-F338 PolarHBondContact O-N 2.96Å; F335-F338 VanDerWaalsContact O-N 3.16Å; F335-F342 AromaticContact CD1-CD1 3.71Å; F335-F342 HydrophobicContact CD1-CD1 3.71Å; F335-F342 AromaticContact CD1-CE1 3.73Å; F335-F342 HydrophobicContact CD1-CE1 3.73Å; F335-F342 HydrophobicContact CD2-CD1 4.43Å; F335-F342 HydrophobicContact CE1-CB 4.4Å; F335-F342 AromaticContact CE1-CD1 3.26Å; F335-F342 HydrophobicContact CE1-CD1 3.26Å; F335-F342 AromaticContact CE1-CE1 3.55Å; F335-F342 HydrophobicContact CE1-CE1 3.55Å; F335-F342 AromaticContact CE1-CG 3.85Å; F335-F342 HydrophobicContact CE1-CG 3.85Å; F335-F342 HydrophobicContact CE1-CZ 4.34Å; F335-F342 HydrophobicContact CE2-CB 4.27Å; F335-F342 HydrophobicContact CE2-CD1 4.07Å; F335-F342 HydrophobicContact CG-CD1 4.27Å; F335-F342 HydrophobicContact CZ-CB 3.78Å; F335-F342 AromaticContact CZ-CD1 3.48Å; F335-F342 HydrophobicContact CZ-CD1 3.48Å; F335-F342 VanDerWaalsContact CZ-CD1 3.48Å; F335-F342 HydrophobicContact CZ-CE1 4.24Å; F335-F342 AromaticContact CZ-CG 3.75Å; F335-F342 HydrophobicContact CZ-CG 3.75Å; F335-F342 WeakPolarHBondContact O-CE1 3.24Å
336E97.6Very high97.4Very high127 Ų12760.8 Ų60.859%0.59330%0.304SS*.G310 helixtrans-63.9-25.4179.6-64.670.3-154.500113.5Y334 F338 G339Y334-E336 PolarHBondContact O-N 3.1Å; Y334-E336 VanDerWaalsContact O-N 3.1Å; E336-F338 PolarHBondContact O-N 2.97Å; E336-G339 PolarHBondContact O-N 3.38Å
337Y97.7Very high97.3Very high119 Ų11961.6 Ų61.647%0.46731%0.312SS..G310 helixtrans-65.1-20.4176.6-77.7-107.7000112.9M38 I306 R307 Y334 F335M38-Y337 HydrophobicContact CE-CD1 3.88Å; M38-Y337 HydrophobicContact CE-CG 3.82Å; I306-Y337 HydrophobicContact CD1-CD1 4.43Å; I306-Y337 HydrophobicContact CD1-CE1 4.27Å; R307-Y337 VanDerWaalsContact CD-O 3.29Å; R307-Y337 WeakPolarHBondContact CD-O 3.35Å; Y334-Y337 HydrophobicContact CD1-CE2 4.33Å; Y334-Y337 WeakPolarHBondContact O-CB 3.3Å; Y334-Y337 PolarHBondContact O-N 3.35Å; F335-Y337 VanDerWaalsContact C-N 3.26Å; F335-Y337 PolarHBondContact O-N 3.19Å
338F98Very high97.2Very high0 Ų062.1 Ų62.10%032%0.319CS..G310 helixtrans-96.69.2-178.8-51.3-81.4000113.2M38 L42 R307 A310 R311 L329 Y334 F335 E336 F342M38-F338 HydrophobicContact CE-CE1 4.49Å; M38-F338 HydrophobicContact CE-CE2 4.38Å; M38-F338 HydrophobicContact CE-CZ 3.91Å; L42-F338 HydrophobicContact CD1-CE1 3.98Å; L42-F338 HydrophobicContact CD1-CE2 4.43Å; L42-F338 HydrophobicContact CD1-CZ 3.66Å; L42-F338 HydrophobicContact CD2-CE2 4.26Å; L42-F338 HydrophobicContact CD2-CZ 4.28Å; L42-F338 HydrophobicContact CG-CE2 4.5Å; L42-F338 HydrophobicContact CG-CZ 4.11Å; R307-F338 HydrophobicContact CB-CD1 4.08Å; R307-F338 HydrophobicContact CB-CE1 4.12Å; R307-F338 WeakPolarHBondContact O-CE1 3.28Å; A310-F338 HydrophobicContact CB-CE1 4.19Å; A310-F338 HydrophobicContact CB-CZ 4.16Å; R311-F338 HydrophobicContact CG-CD1 4.05Å; R311-F338 HydrophobicContact CG-CE1 4.04Å; L329-F338 HydrophobicContact CD1-CB 3.28Å; L329-F338 HydrophobicContact CD1-CD1 3.7Å; L329-F338 HydrophobicContact CD1-CD2 3.92Å; L329-F338 HydrophobicContact CD1-CG 3.35Å; Y334-F338 WeakPolarHBondContact O-CD2 3.49Å; Y334-F338 WeakPolarHBondContact O-CE2 3.37Å; F335-F338 PolarHBondContact O-N 2.96Å; F335-F338 VanDerWaalsContact O-N 3.16Å; E336-F338 PolarHBondContact O-N 2.97Å; F338-F342 WeakPolarHBondContact O-CA 3.37Å; F338-F342 PolarHBondContact O-N 3.09Å
339G91.8Very high97.2Very high18 Ų1859.5 Ų59.519%0.18631%0.312CS..THydrogen-bonded Turntrans-66.3155.8171.500000113.3R307 E336R307-G339 PolarHBondContact NH1-O 3.12Å; E336-G339 PolarHBondContact O-N 3.38Å
340P95.3Very high97.1Very high123 Ų12366.7 Ų66.780%0.79935%0.351SS*.THydrogen-bonded Turncis-90.1-64.536.9-36.6000114.3F342P340-F342 WeakPolarHBondContact O-CD2 3.15Å; P340-F342 WeakPolarHBondContact O-CE2 3.43Å
341D96.1Very high97Very high62 Ų6269.1 Ų69.133%0.33236%0.36SS..THydrogen-bonded Turntrans-93.5-28.3-167.367.5-72.7000113.9R311 K343R311-D341 IonicContact NH2-OD1 3.11Å; R311-D341 PolarHBondContact NH2-OD1 3.41Å; R311-D341 VanDerWaalsContact NH2-OD1 3.11Å; R311-D341 IonicContact NH2-OD2 2.99Å; R311-D341 PolarHBondContact NH2-OD2 3.19Å; D341-K343 HydrophobicContact CB-CG 4.25Å; D341-K343 WeakPolarHBondContact O-CD 3.25Å; D341-K343 WeakPolarHBondContact O-CE 3.33Å; D341-K343 WeakPolarHBondContact O-CG 3.45Å; D341-K343 PolarHBondContact O-N 3.12Å; D341-K343 WeakPolarHBondContact OD2-CA 3.2Å; D341-K343 VanDerWaalsContact OD2-CB 3.25Å; D341-K343 WeakPolarHBondContact OD2-CB 3.17Å; D341-K343 PolarHBondContact OD2-N 3.36Å
342F97.4Very high97Very high69 Ų6966.7 Ų66.730%0.30336%0.362SS..  trans54.629.3-178-50.6-82000114L329 F335 F338 P340L329-F342 WeakPolarHBondContact CB-O 3.49Å; L329-F342 WeakPolarHBondContact CG-O 3.25Å; L329-F342 PolarHBondContact N-O 2.83Å; F335-F342 AromaticContact CD1-CD1 3.71Å; F335-F342 HydrophobicContact CD1-CD1 3.71Å; F335-F342 AromaticContact CD1-CE1 3.73Å; F335-F342 HydrophobicContact CD1-CE1 3.73Å; F335-F342 HydrophobicContact CD2-CD1 4.43Å; F335-F342 HydrophobicContact CE1-CB 4.4Å; F335-F342 AromaticContact CE1-CD1 3.26Å; F335-F342 HydrophobicContact CE1-CD1 3.26Å; F335-F342 AromaticContact CE1-CE1 3.55Å; F335-F342 HydrophobicContact CE1-CE1 3.55Å; F335-F342 AromaticContact CE1-CG 3.85Å; F335-F342 HydrophobicContact CE1-CG 3.85Å; F335-F342 HydrophobicContact CE1-CZ 4.34Å; F335-F342 HydrophobicContact CE2-CB 4.27Å; F335-F342 HydrophobicContact CE2-CD1 4.07Å; F335-F342 HydrophobicContact CG-CD1 4.27Å; F335-F342 HydrophobicContact CZ-CB 3.78Å; F335-F342 AromaticContact CZ-CD1 3.48Å; F335-F342 HydrophobicContact CZ-CD1 3.48Å; F335-F342 VanDerWaalsContact CZ-CD1 3.48Å; F335-F342 HydrophobicContact CZ-CE1 4.24Å; F335-F342 AromaticContact CZ-CG 3.75Å; F335-F342 HydrophobicContact CZ-CG 3.75Å; F335-F342 WeakPolarHBondContact O-CE1 3.24Å; F338-F342 WeakPolarHBondContact O-CA 3.37Å; F338-F342 PolarHBondContact O-N 3.09Å; P340-F342 WeakPolarHBondContact O-CD2 3.15Å; P340-F342 WeakPolarHBondContact O-CE2 3.43Å
343K98.3Very high97.1Very high64 Ų6468.5 Ų68.528%0.27837%0.372SS..BIsolated β-bridgetrans-99.8158.9176.1-49-52.9173-176.50112.3R311 N327 E328 L329 D341R311-K343 VanDerWaalsContact CZ-O 3.22Å; R311-K343 PolarHBondContact NE-O 3.46Å; R311-K343 PolarHBondContact NH2-O 3.44Å; N327-K343 CarbonylContact O-C 3.5Å; N327-K343 WeakPolarHBondContact O-CA 3.48Å; E328-K343 IonicContact OE1-NZ 3.92Å; E328-K343 PolarHBondContact OE1-NZ 2.86Å; E328-K343 IonicContact OE2-NZ 2.99Å; E328-K343 PolarHBondContact OE2-NZ 3.26Å; L329-K343 WeakPolarHBondContact CD1-O 3.28Å; D341-K343 HydrophobicContact CB-CG 4.25Å; D341-K343 WeakPolarHBondContact O-CD 3.25Å; D341-K343 WeakPolarHBondContact O-CE 3.33Å; D341-K343 WeakPolarHBondContact O-CG 3.45Å; D341-K343 PolarHBondContact O-N 3.12Å; D341-K343 WeakPolarHBondContact OD2-CA 3.2Å; D341-K343 VanDerWaalsContact OD2-CB 3.25Å; D341-K343 WeakPolarHBondContact OD2-CB 3.17Å; D341-K343 PolarHBondContact OD2-N 3.36Å
344L98.4Very high97.1Very high0 Ų067.9 Ų67.90%037%0.365CS..SBendtrans-75.3-50.3174.2-176.566.1000111.6Y46 I279 R311 T314 F315 I325 N327 L329Y46-L344 HydrophobicContact CE2-CD1 4.2Å; I279-L344 WeakPolarHBondContact CD1-O 3.41Å; R311-L344 HydrophobicContact CB-CD1 4.08Å; R311-L344 WeakPolarHBondContact CB-O 3.45Å; R311-L344 VanDerWaalsContact CD-O 3.28Å; R311-L344 WeakPolarHBondContact CD-O 2.95Å; R311-L344 HydrophobicContact CG-CD1 4.32Å; R311-L344 WeakPolarHBondContact CG-O 3.43Å; R311-L344 WeakPolarHBondContact O-CD1 3.16Å; T314-L344 HydrophobicContact CG2-CD1 4.33Å; F315-L344 HydrophobicContact CB-CD2 4.22Å; F315-L344 HydrophobicContact CD2-CD2 3.79Å; F315-L344 HydrophobicContact CG-CD2 4.37Å; I325-L344 HydrophobicContact CD1-CD2 3.52Å; I325-L344 HydrophobicContact CG1-CD2 3.92Å; N327-L344 PolarHBondContact O-N 3.01Å; N327-L344 PolarHBondContact OD1-N 2.94Å; L329-L344 HydrophobicContact CD2-CB 4.17Å; L329-L344 HydrophobicContact CD2-CD1 3.97Å
345H98.3Very high97.1Very high39 Ų3966.9 Ų66.918%0.18136%0.362CS..PPolyproline II helixtrans-82.2143-175.4-62.2-53.7000112.9K280 F315 N327K280-H345 WeakPolarHBondContact CE-CD2 3.48Å; K280-H345 VanDerWaalsContact CE-CE1 3.41Å; K280-H345 WeakPolarHBondContact CE-CE1 3.49Å; K280-H345 WeakPolarHBondContact CE-NE2 3.28Å; F315-H345 AromaticContact CD2-CE1 3.8Å; F315-H345 AromaticContact CE2-CE1 3.57Å; F315-H345 AromaticContact CZ-CE1 3.72Å; N327-H345 WeakPolarHBondContact OD1-CB 3.49Å; N327-H345 PolarHBondContact OD1-CD2 3.18Å; N327-H345 PolarHBondContact OD1-N 3.17Å
346I97.1Very high97.2Very high25 Ų2568.8 Ų68.813%0.12838%0.377CS..PPolyproline II helixtrans-101153.1171.364.7179.6000110.7L267 I279L267-I346 HydrophobicContact CB-CD1 4.44Å; I279-I346 HydrophobicContact CD1-CB 4.47Å; I279-I346 HydrophobicContact CD1-CD1 4.37Å; I279-I346 HydrophobicContact CD1-CG1 4.01Å; I279-I346 HydrophobicContact CD1-CG2 4Å; I279-I346 HydrophobicContact CG1-CD1 4.23Å; I279-I346 HydrophobicContact CG1-CG1 4.11Å
347S96Very high97.2Very high99 Ų9968.5 Ų68.569%0.69238%0.38SS*.PPolyproline II helixtrans-90.9152.7168.5-61.80000110.8
348P96.9Very high97.2Very high73 Ų7368 Ų6847%0.47439%0.385SS..PPolyproline II helixtrans-66.7154.7169.531-34.3000110.4T278T278-P348 HydrophobicContact CG2-CB 4.31Å; T278-P348 HydrophobicContact CG2-CG 4.35Å
349S96.6Very high97.3Very high50 Ų5070.4 Ų70.435%0.3540%0.395SS..PPolyproline II helixtrans-80171.6171.875.40000111.7S268 N276 M351S268-S349 PolarHBondContact OG-N 3.38Å; N276-S349 PolarHBondContact ND2-O 2.82Å; N276-S349 WeakPolarHBondContact OD1-CB 3.26Å; N276-S349 PolarHBondContact OD1-N 2.83Å; N276-S349 PolarHBondContact OD1-OG 2.96Å; S349-M351 PolarHBondContact O-N 2.92Å; S349-M351 VanDerWaalsContact OG-CB 3.26Å; S349-M351 WeakPolarHBondContact OG-CB 3.18Å; S349-M351 PolarHBondContact OG-N 2.99Å
350N96.7Very high97.6Very high165 Ų16569.9 Ų69.988%0.88239%0.388SS*.SBendtrans-81.918.3171.469.8-41.6000113.7
351M96.5Very high97.7Very high82 Ų8267.9 Ų67.940%0.40437%0.368SS..  trans-60.4137.9173.9-176.7179.9-70.900110.8G232 S349 N353G232-M351 VanDerWaalsContact CA-SD 3.51Å; S349-M351 PolarHBondContact O-N 2.92Å; S349-M351 VanDerWaalsContact OG-CB 3.26Å; S349-M351 WeakPolarHBondContact OG-CB 3.18Å; S349-M351 PolarHBondContact OG-N 2.99Å; M351-N353 PolarHBondContact O-N 3.06Å
352T98.2Very high97.8Very high112 Ų11270.6 Ų70.669%0.68738%0.376SS*.  trans-73.1122.1175.8-55.20000110.6Q354T352-Q354 PolarHBondContact O-N 3.02Å
353N98.6Very high97.9Very high39 Ų3967.7 Ų67.721%0.20936%0.364CS..  trans-67.8114.9169.5-175.2-5000110.3G232 D234 S237 M351 N355G232-N353 VanDerWaalsContact O-CA 3.24Å; G232-N353 WeakPolarHBondContact O-CA 3.35Å; G232-N353 WeakPolarHBondContact O-CB 3.35Å; D234-N353 VanDerWaalsContact CG-ND2 3.31Å; D234-N353 PolarHBondContact OD2-ND2 2.96Å; S237-N353 PolarHBondContact OG-ND2 3.04Å; M351-N353 PolarHBondContact O-N 3.06Å; N353-N355 VanDerWaalsContact C-N 3.31Å; N353-N355 VanDerWaalsContact OD1-CB 3.23Å; N353-N355 WeakPolarHBondContact OD1-CB 3.4Å; N353-N355 PolarHBondContact OD1-N 3.27Å; N353-N355 PolarHBondContact OD1-ND2 2.92Å
354Q98.6Very high97.9Very high91 Ų9166 Ų6643%0.42536%0.356SS..  trans-86.8-1.1-179.7-60.8-172.840.900113.4R230 D231 T352 T356R230-Q354 HydrophobicContact CB-CB 3.84Å; D231-Q354 PolarHBondContact O-N 3.34Å; D231-Q354 PolarHBondContact OD2-NE2 3.1Å; D231-Q354 VanDerWaalsContact OD2-NE2 3.07Å; T352-Q354 PolarHBondContact O-N 3.02Å; Q354-T356 PolarHBondContact O-N 2.89Å
355N98.6Very high97.9Very high4 Ų471.2 Ų71.22%0.02138%0.381CS..  trans-92.783.7-178.4-55.3-86.2000110R230 D231 N353 Y359 L360R230-N355 PolarHBondContact N-OD1 2.96Å; R230-N355 PolarHBondContact O-ND2 2.99Å; D231-N355 PolarHBondContact O-ND2 3.05Å; N353-N355 VanDerWaalsContact C-N 3.31Å; N353-N355 VanDerWaalsContact OD1-CB 3.23Å; N353-N355 WeakPolarHBondContact OD1-CB 3.4Å; N353-N355 PolarHBondContact OD1-N 3.27Å; N353-N355 PolarHBondContact OD1-ND2 2.92Å; N355-Y359 HydrophobicContact CB-CD1 4.37Å; N355-L360 HydrophobicContact CB-CD1 4.09Å; N355-L360 HydrophobicContact CB-CD2 3.9Å; N355-L360 HydrophobicContact CB-CG 4.02Å
356T98.4Very high97.9Very high84 Ų8476.3 Ų76.352%0.51540%0.399SS..  trans-63.2149.2176.663.40000111.3Q354 D358 Y359 L360Q354-T356 PolarHBondContact O-N 2.89Å; T356-D358 PolarHBondContact O-N 3.05Å; T356-D358 VanDerWaalsContact O-N 3.15Å; T356-Y359 WeakPolarHBondContact O-CA 3.37Å; T356-Y359 WeakPolarHBondContact O-CB 3.42Å; T356-Y359 PolarHBondContact O-N 3.1Å; T356-Y359 PolarHBondContact OG1-N 3.24Å; T356-L360 PolarHBondContact O-N 3.02Å
357N98Very high97.9Very high121 Ų12175.2 Ų75.265%0.64739%0.393SS*.Hα-helixtrans-51.8-41.2176.9-65.1-10.5000111.9Y359 L360 E361N357-Y359 VanDerWaalsContact C-N 3.3Å; N357-Y359 PolarHBondContact O-N 3.48Å; N357-L360 PolarHBondContact O-N 2.99Å; N357-E361 WeakPolarHBondContact O-CB 3.41Å; N357-E361 WeakPolarHBondContact O-CG 3.26Å; N357-E361 PolarHBondContact O-N 3.35Å
358D98.3Very high98Very high107 Ų10773 Ų7357%0.57237%0.371SS*.Hα-helixtrans-56.9-37.5173.6-102.850.9000114.3T356 K362T356-D358 PolarHBondContact O-N 3.05Å; T356-D358 VanDerWaalsContact O-N 3.15Å; D358-K362 WeakPolarHBondContact O-CB 3.42Å; D358-K362 WeakPolarHBondContact O-CD 3.48Å; D358-K362 WeakPolarHBondContact O-CE 3.36Å; D358-K362 WeakPolarHBondContact O-CG 3.43Å; D358-K362 PolarHBondContact O-N 2.99Å; D358-K362 IonicContact OD2-NZ 2.66Å; D358-K362 PolarHBondContact OD2-NZ 3.16Å
359Y98.4Very high98.1Very high52 Ų5274.7 Ų74.720%0.20437%0.373CS..Hα-helixtrans-72.8-48.9177.9171-103.8000110.4P228 R230 N355 T356 N357 K362 I363P228-Y359 PolarHBondContact O-OH 2.89Å; R230-Y359 HydrophobicContact CG-CE1 4.08Å; N355-Y359 HydrophobicContact CB-CD1 4.37Å; T356-Y359 WeakPolarHBondContact O-CA 3.37Å; T356-Y359 WeakPolarHBondContact O-CB 3.42Å; T356-Y359 PolarHBondContact O-N 3.1Å; T356-Y359 PolarHBondContact OG1-N 3.24Å; N357-Y359 VanDerWaalsContact C-N 3.3Å; N357-Y359 PolarHBondContact O-N 3.48Å; Y359-K362 PolarHBondContact O-N 3.39Å; Y359-I363 HydrophobicContact CD1-CD1 4.19Å; Y359-I363 HydrophobicContact CD2-CD1 4.28Å; Y359-I363 HydrophobicContact CE1-CD1 3.67Å; Y359-I363 HydrophobicContact CE2-CD1 3.75Å; Y359-I363 HydrophobicContact CG-CD1 4.48Å; Y359-I363 VanDerWaalsContact CZ-CD1 3.42Å; Y359-I363 WeakPolarHBondContact O-CG1 3.33Å; Y359-I363 PolarHBondContact O-N 3.38Å; Y359-I363 VanDerWaalsContact O-N 3.16Å
360L98.6Very high98.1Very high7 Ų774.1 Ų74.14%0.03737%0.366CS..Hα-helixtrans-61.5-47.1178.6-65.1179.5000112.1Y227 L229 I241 N355 T356 N357 K362 I363 K364Y227-L360 HydrophobicContact CE1-CD2 3.86Å; Y227-L360 WeakPolarHBondContact OH-CA 3.29Å; Y227-L360 PolarHBondContact OH-O 3.45Å; L229-L360 HydrophobicContact CD2-CD2 3.72Å; I241-L360 HydrophobicContact CD1-CD2 4.26Å; I241-L360 HydrophobicContact CG2-CB 3.99Å; I241-L360 HydrophobicContact CG2-CD1 4.14Å; I241-L360 HydrophobicContact CG2-CD2 4.26Å; I241-L360 HydrophobicContact CG2-CG 4.36Å; N355-L360 HydrophobicContact CB-CD1 4.09Å; N355-L360 HydrophobicContact CB-CD2 3.9Å; N355-L360 HydrophobicContact CB-CG 4.02Å; T356-L360 PolarHBondContact O-N 3.02Å; N357-L360 PolarHBondContact O-N 2.99Å; L360-K362 VanDerWaalsContact C-N 3.33Å; L360-K362 PolarHBondContact O-N 3.49Å; L360-I363 PolarHBondContact O-N 3.4Å; L360-K364 WeakPolarHBondContact O-CB 3.35Å; L360-K364 PolarHBondContact O-N 3.35Å
361E97.9Very high98.1Very high81 Ų8166.3 Ų66.338%0.37932%0.324SS..Hα-helixtrans-61.8-39178.1-73.1-60.115200112.5N357 I363 K364 Q365N357-E361 WeakPolarHBondContact O-CB 3.41Å; N357-E361 WeakPolarHBondContact O-CG 3.26Å; N357-E361 PolarHBondContact O-N 3.35Å; E361-I363 PolarHBondContact O-N 2.85Å; E361-K364 VanDerWaalsContact CD-CE 3.42Å; E361-K364 VanDerWaalsContact CD-NZ 3.29Å; E361-K364 PolarHBondContact O-N 3.16Å; E361-K364 WeakPolarHBondContact OE1-CE 3.29Å; E361-K364 IonicContact OE1-NZ 2.67Å; E361-K364 PolarHBondContact OE1-NZ 3.25Å; E361-K364 WeakPolarHBondContact OE2-CE 3.47Å; E361-K364 IonicContact OE2-NZ 2.67Å; E361-K364 PolarHBondContact OE2-NZ 3.19Å; E361-Q365 WeakPolarHBondContact O-CB 3.37Å; E361-Q365 WeakPolarHBondContact O-CG 3.43Å; E361-Q365 PolarHBondContact O-N 3.19Å
362K98.3Very high98.1Very high118 Ų11869.3 Ų69.351%0.51333%0.331SS..Hα-helixtrans-65-37.5177.1-75.3166.1-164.7149.50112.5D358 Y359 L360 R366D358-K362 WeakPolarHBondContact O-CB 3.42Å; D358-K362 WeakPolarHBondContact O-CD 3.48Å; D358-K362 WeakPolarHBondContact O-CE 3.36Å; D358-K362 WeakPolarHBondContact O-CG 3.43Å; D358-K362 PolarHBondContact O-N 2.99Å; D358-K362 IonicContact OD2-NZ 2.66Å; D358-K362 PolarHBondContact OD2-NZ 3.16Å; Y359-K362 PolarHBondContact O-N 3.39Å; L360-K362 VanDerWaalsContact C-N 3.33Å; L360-K362 PolarHBondContact O-N 3.49Å; K362-R366 WeakPolarHBondContact O-CG 3.41Å; K362-R366 PolarHBondContact O-N 3.24Å
363I98.6Very high97.9Very high8 Ų869.3 Ų69.34%0.04132%0.324CS..Hα-helixtrans-69.2-52174.7-65.8177.7000109.9L212 Y227 P228 Y359 L360 E361 Q365 R366 L367L212-I363 HydrophobicContact CD1-CG2 4.02Å; L212-I363 HydrophobicContact CD2-CG1 4.14Å; L212-I363 HydrophobicContact CD2-CG2 4.46Å; Y227-I363 HydrophobicContact CD1-CG2 3.77Å; Y227-I363 HydrophobicContact CD2-CG2 4.04Å; Y227-I363 HydrophobicContact CE1-CB 4Å; Y227-I363 HydrophobicContact CE1-CD1 4.22Å; Y227-I363 HydrophobicContact CE1-CG2 3.57Å; Y227-I363 HydrophobicContact CE2-CG2 3.86Å; Y227-I363 HydrophobicContact CG-CG2 3.98Å; P228-I363 HydrophobicContact CG-CD1 4.23Å; P228-I363 VanDerWaalsContact O-CD1 3.24Å; P228-I363 WeakPolarHBondContact O-CD1 3.47Å; Y359-I363 HydrophobicContact CD1-CD1 4.19Å; Y359-I363 HydrophobicContact CD2-CD1 4.28Å; Y359-I363 HydrophobicContact CE1-CD1 3.67Å; Y359-I363 HydrophobicContact CE2-CD1 3.75Å; Y359-I363 HydrophobicContact CG-CD1 4.48Å; Y359-I363 VanDerWaalsContact CZ-CD1 3.42Å; Y359-I363 WeakPolarHBondContact O-CG1 3.33Å; Y359-I363 PolarHBondContact O-N 3.38Å; Y359-I363 VanDerWaalsContact O-N 3.16Å; L360-I363 PolarHBondContact O-N 3.4Å; E361-I363 PolarHBondContact O-N 2.85Å; I363-Q365 VanDerWaalsContact C-N 3.3Å; I363-Q365 PolarHBondContact O-N 2.74Å; I363-R366 PolarHBondContact O-N 2.82Å; I363-R366 VanDerWaalsContact O-N 3.1Å; I363-L367 HydrophobicContact CG2-CD1 3.97Å; I363-L367 HydrophobicContact CG2-CG 4.31Å; I363-L367 PolarHBondContact O-N 2.91Å
364K98.4Very high97.5Very high28 Ų2867.7 Ų67.712%0.12232%0.315CS..Hα-helixtrans-55.4-42.6179.9-176.9172.360.6-173.40112.3Y227 P244 I245 L360 E361 L367 F368Y227-K364 HydrophobicContact CE2-CB 4.34Å; P244-K364 HydrophobicContact CB-CD 4.11Å; I245-K364 HydrophobicContact CD1-CG 4.13Å; I245-K364 HydrophobicContact CG1-CG 4.4Å; L360-K364 WeakPolarHBondContact O-CB 3.35Å; L360-K364 PolarHBondContact O-N 3.35Å; E361-K364 VanDerWaalsContact CD-CE 3.42Å; E361-K364 VanDerWaalsContact CD-NZ 3.29Å; E361-K364 PolarHBondContact O-N 3.16Å; E361-K364 WeakPolarHBondContact OE1-CE 3.29Å; E361-K364 IonicContact OE1-NZ 2.67Å; E361-K364 PolarHBondContact OE1-NZ 3.25Å; E361-K364 WeakPolarHBondContact OE2-CE 3.47Å; E361-K364 IonicContact OE2-NZ 2.67Å; E361-K364 PolarHBondContact OE2-NZ 3.19Å; K364-L367 PolarHBondContact O-N 2.8Å; K364-F368 HydrophobicContact CD-CE1 4.39Å; K364-F368 HydrophobicContact CG-CD1 4Å; K364-F368 HydrophobicContact CG-CE1 3.81Å; K364-F368 WeakPolarHBondContact O-CB 3.35Å; K364-F368 WeakPolarHBondContact O-CD1 3.11Å; K364-F368 PolarHBondContact O-N 2.92Å
365Q98.3Very high96.8Very high111 Ų11166.5 Ų66.552%0.51932%0.316SS..Hα-helixtrans-62.3-44.2177.4-74.8171.921.200112.4E361 I363 F368 E369E361-Q365 WeakPolarHBondContact O-CB 3.37Å; E361-Q365 WeakPolarHBondContact O-CG 3.43Å; E361-Q365 PolarHBondContact O-N 3.19Å; I363-Q365 VanDerWaalsContact C-N 3.3Å; I363-Q365 PolarHBondContact O-N 2.74Å; Q365-F368 WeakPolarHBondContact O-CB 3.12Å; Q365-F368 PolarHBondContact O-N 3.29Å; Q365-E369 WeakPolarHBondContact O-CG 3.43Å; Q365-E369 PolarHBondContact O-N 3.39Å
366R98.4Very high95.2Very high146 Ų14672 Ų7255%0.55134%0.341SS*.Hα-helixtrans-66-39176.4-73.6173.8170.7-164.21.9112.7L212 K362 I363 F368 E369 N370L212-R366 HydrophobicContact CD1-CB 4.42Å; L212-R366 HydrophobicContact CD2-CB 4.29Å; K362-R366 WeakPolarHBondContact O-CG 3.41Å; K362-R366 PolarHBondContact O-N 3.24Å; I363-R366 PolarHBondContact O-N 2.82Å; I363-R366 VanDerWaalsContact O-N 3.1Å; R366-F368 VanDerWaalsContact C-N 3.33Å; R366-E369 WeakPolarHBondContact O-CB 3.41Å; R366-E369 PolarHBondContact O-N 3.4Å; R366-N370 PolarHBondContact O-N 3.29Å
367L98.4Very high93.1Very high2 Ų272 Ų721%0.0135%0.35CS..Hα-helixtrans-66.1-36.5173.5-65.9-179000111.7L212 V225 Y227 I245 I363 K364 E369 N370 L371L212-L367 HydrophobicContact CD1-CD2 3.5Å; L212-L367 VanDerWaalsContact CD1-CD2 3.5Å; L212-L367 HydrophobicContact CD1-CG 3.82Å; V225-L367 HydrophobicContact CG1-CD1 4.32Å; V225-L367 HydrophobicContact CG1-CD2 4.12Å; Y227-L367 HydrophobicContact CD2-CD1 3.42Å; Y227-L367 VanDerWaalsContact CD2-CD1 3.42Å; Y227-L367 HydrophobicContact CE2-CD1 4.05Å; Y227-L367 HydrophobicContact CG-CD1 4.02Å; I245-L367 HydrophobicContact CD1-CB 3.68Å; I245-L367 HydrophobicContact CD1-CD1 3.8Å; I245-L367 HydrophobicContact CD1-CG 4.4Å; I363-L367 HydrophobicContact CG2-CD1 3.97Å; I363-L367 HydrophobicContact CG2-CG 4.31Å; I363-L367 PolarHBondContact O-N 2.91Å; K364-L367 PolarHBondContact O-N 2.8Å; L367-E369 VanDerWaalsContact C-N 3.33Å; L367-E369 PolarHBondContact O-N 2.83Å; L367-N370 PolarHBondContact O-N 2.72Å; L367-L371 WeakPolarHBondContact O-CB 3.4Å; L367-L371 VanDerWaalsContact O-CG 3.29Å; L367-L371 WeakPolarHBondContact O-CG 3.45Å; L367-L371 PolarHBondContact O-N 2.8Å
368F98.3Very high91Very high53 Ų5368.7 Ų68.723%0.23234%0.335CS..Hα-helixtrans-65.2-34.3171.7-87.746.5000112.4P244 I245 K248 K364 Q365 R366 R372P244-F368 HydrophobicContact CB-CE1 4.47Å; P244-F368 HydrophobicContact CB-CZ 4.08Å; P244-F368 WeakPolarHBondContact O-CZ 3.36Å; I245-F368 HydrophobicContact CD1-CD1 3.99Å; I245-F368 HydrophobicContact CD1-CE1 3.9Å; I245-F368 HydrophobicContact CG1-CE1 4.47Å; K248-F368 HydrophobicContact CB-CE1 4.16Å; K248-F368 HydrophobicContact CB-CE2 4.5Å; K248-F368 HydrophobicContact CB-CZ 4.08Å; K364-F368 HydrophobicContact CD-CE1 4.39Å; K364-F368 HydrophobicContact CG-CD1 4Å; K364-F368 HydrophobicContact CG-CE1 3.81Å; K364-F368 WeakPolarHBondContact O-CB 3.35Å; K364-F368 WeakPolarHBondContact O-CD1 3.11Å; K364-F368 PolarHBondContact O-N 2.92Å; Q365-F368 WeakPolarHBondContact O-CB 3.12Å; Q365-F368 PolarHBondContact O-N 3.29Å; R366-F368 VanDerWaalsContact C-N 3.33Å; F368-R372 WeakPolarHBondContact O-CD 3.42Å; F368-R372 WeakPolarHBondContact O-CG 3.5Å; F368-R372 PolarHBondContact O-N 3.43Å; F368-R372 VanDerWaalsContact O-N 3.16Å
369E97.8Very high88.8Confident108 Ų10867.3 Ų67.351%0.50535%0.346SS..Hα-helixtrans-65.9-46.4171.9-72168.6177.500111.7Q365 R366 L367 R372Q365-E369 WeakPolarHBondContact O-CG 3.43Å; Q365-E369 PolarHBondContact O-N 3.39Å; R366-E369 WeakPolarHBondContact O-CB 3.41Å; R366-E369 PolarHBondContact O-N 3.4Å; L367-E369 VanDerWaalsContact C-N 3.33Å; L367-E369 PolarHBondContact O-N 2.83Å; E369-R372 PolarHBondContact O-N 3.24Å
370N97.8Very high86.6Confident38 Ų3869.9 Ų69.920%0.20337%0.367CS..Hα-helixtrans-58.9-48174.3-72.2-18.4000111.7Y222 R366 L367 R372 M373Y222-N370 HydrophobicContact CD1-CB 4.02Å; R366-N370 PolarHBondContact O-N 3.29Å; L367-N370 PolarHBondContact O-N 2.72Å; N370-R372 VanDerWaalsContact C-N 3.27Å; N370-R372 PolarHBondContact O-N 3.3Å; N370-M373 VanDerWaalsContact O-CB 3.28Å; N370-M373 WeakPolarHBondContact O-CB 3.33Å; N370-M373 PolarHBondContact O-N 2.97Å
371L96.6Very high84.2Confident0 Ų075.9 Ų75.90%039%0.394CS..Hα-helixtrans-64.6-27.7-179.3-73.1169.5000113.3M195 V225 K248 V249 M252 L367 M373 L374M195-L371 HydrophobicContact CE-CD2 4.09Å; M195-L371 HydrophobicContact SD-CD2 4.42Å; V225-L371 HydrophobicContact CG2-CD2 4.11Å; K248-L371 HydrophobicContact CB-CD1 4.05Å; K248-L371 HydrophobicContact CG-CB 4.13Å; K248-L371 HydrophobicContact CG-CD1 3.9Å; V249-L371 HydrophobicContact CG2-CD1 3.95Å; V249-L371 HydrophobicContact CG2-CD2 4.01Å; M252-L371 VanDerWaalsContact CE-O 3.26Å; M252-L371 WeakPolarHBondContact CE-O 3.38Å; M252-L371 HydrophobicContact CG-CB 4.45Å; L367-L371 WeakPolarHBondContact O-CB 3.4Å; L367-L371 VanDerWaalsContact O-CG 3.29Å; L367-L371 WeakPolarHBondContact O-CG 3.45Å; L367-L371 PolarHBondContact O-N 2.8Å; L371-M373 PolarHBondContact O-N 3.34Å; L371-L374 PolarHBondContact O-N 3.07Å
372R95Very high81.9Confident146 Ų14680.1 Ų80.155%0.55142%0.416SS*.THydrogen-bonded Turntrans-66.9-18173-75.7164.6-173.8152.81.9113.5F368 E369 N370 L374F368-R372 WeakPolarHBondContact O-CD 3.42Å; F368-R372 WeakPolarHBondContact O-CG 3.5Å; F368-R372 PolarHBondContact O-N 3.43Å; F368-R372 VanDerWaalsContact O-N 3.16Å; E369-R372 PolarHBondContact O-N 3.24Å; N370-R372 VanDerWaalsContact C-N 3.27Å; N370-R372 PolarHBondContact O-N 3.3Å; R372-L374 VanDerWaalsContact C-N 3.26Å; R372-L374 PolarHBondContact O-N 3.49Å
373M94.1Very high79.9Confident111 Ų11180.5 Ų80.555%0.54742%0.42SS..THydrogen-bonded Turntrans-76.4-11.8179.1-59-58.2-60.500113.1Y222 N370 L371Y222-M373 HydrophobicContact CD1-CB 4.07Å; Y222-M373 HydrophobicContact CD1-CG 4.2Å; Y222-M373 HydrophobicContact CD2-CB 3.72Å; Y222-M373 HydrophobicContact CD2-CG 4.43Å; Y222-M373 HydrophobicContact CE1-CB 4.14Å; Y222-M373 HydrophobicContact CE1-CG 3.85Å; Y222-M373 HydrophobicContact CE2-CB 3.81Å; Y222-M373 HydrophobicContact CE2-CG 4.13Å; Y222-M373 HydrophobicContact CG-CB 3.87Å; Y222-M373 HydrophobicContact CG-CG 4.47Å; N370-M373 VanDerWaalsContact O-CB 3.28Å; N370-M373 WeakPolarHBondContact O-CB 3.33Å; N370-M373 PolarHBondContact O-N 2.97Å; L371-M373 PolarHBondContact O-N 3.34Å
374L90.8Very high78Confident5 Ų584.7 Ų84.73%0.02646%0.456CS..SBendtrans-69.8139.6177.5-88.475.4000111.9M195 Y222 Y223 M252 Y253 L371 R372 H376M195-L374 HydrophobicContact CE-CD1 4.28Å; M195-L374 HydrophobicContact CE-CD2 3.59Å; Y222-L374 WeakPolarHBondContact O-CD1 3.46Å; Y223-L374 HydrophobicContact CD1-CD2 4.43Å; Y223-L374 HydrophobicContact CE1-CD2 3.89Å; Y223-L374 HydrophobicContact CE1-CG 4.36Å; Y223-L374 HydrophobicContact CE2-CG 4.48Å; M252-L374 HydrophobicContact CB-CB 4.44Å; M252-L374 HydrophobicContact CB-CD2 4.39Å; M252-L374 HydrophobicContact CE-CB 4.07Å; Y253-L374 HydrophobicContact CD2-CD2 4.22Å; L371-L374 PolarHBondContact O-N 3.07Å; R372-L374 VanDerWaalsContact C-N 3.26Å; R372-L374 PolarHBondContact O-N 3.49Å; L374-H376 PolarHBondContact O-N 2.74Å; L374-H376 PolarHBondContact O-ND1 2.96Å; L374-H376 VanDerWaalsContact O-ND1 3.07Å
375P83.4Confident76.6Confident67 Ų6788 Ų8844%0.43547%0.474SS..  trans-65.2126.3167.729.1-33000108.9A377 P378P375-A377 PolarHBondContact O-N 2.95Å; P375-A377 VanDerWaalsContact O-N 3.07Å; P375-P378 HydrophobicContact CG-CB 4.22Å
376H66.2Low75.4Confident118 Ų11886.4 Ų86.455%0.54647%0.473SS..SBendtrans-72.6-3.9-173.6-61.144.5000113.4M252 Q254 L374M252-H376 WeakPolarHBondContact CE-CE1 3.25Å; M252-H376 WeakPolarHBondContact CE-ND1 3.41Å; Q254-H376 PolarHBondContact NE2-O 3.37Å; L374-H376 PolarHBondContact O-N 2.74Å; L374-H376 PolarHBondContact O-ND1 2.96Å; L374-H376 VanDerWaalsContact O-ND1 3.07Å
377A54Low74.3Confident86 Ų8686.9 Ų86.971%0.71148%0.482SS*.SBendtrans-162.385.9172.600000111.3P375P375-A377 PolarHBondContact O-N 2.95Å; P375-A377 VanDerWaalsContact O-N 3.07Å
378P54.3Low73.1Confident51 Ų5188.4 Ų88.433%0.33149%0.49SS..PPolyproline II helixtrans-73.1148.3171.530.3-33000111.5P375P375-P378 HydrophobicContact CG-CB 4.22Å
379G50.3Low71.6Confident77 Ų7786.7 Ų86.779%0.79449%0.486SS*.PPolyproline II helixtrans-68.4144.4-178.100000113.6
380V52.3Low70.4Confident107 Ų10783.1 Ų83.165%0.64847%0.471SS*.PPolyproline II helixtrans-80.9123.3178.2-177.10000109.9
381Q49.9Very low68.6Low132 Ų13288.6 Ų88.662%0.61750%0.495SS*.  trans-100114.9172.7-176.3175.6-4.800109.6Q383Q381-Q383 PolarHBondContact O-N 3.45Å
382M47.8Very low66.3Low171 Ų17193.2 Ų93.284%0.84252%0.517SS*.  trans-65129.7175.2-60.7-65.3-73.100110.6
383Q57.3Low63.8Low125 Ų12594.2 Ų94.258%0.58453%0.533SS*.  trans-130.1151.6171.8-67.3-173.7-25.600109.1Q381Q381-Q383 PolarHBondContact O-N 3.45Å
384A57.8Low61.1Low96 Ų9692.4 Ų92.479%0.79353%0.531SS*.PPolyproline II helixtrans-72.7134.7171.600000109.5P386A384-P386 WeakPolarHBondContact O-CD 3.49Å
385I68.8Low58.7Low98 Ų9895.7 Ų95.750%0.50357%0.566SS.*PPolyproline II helixtrans-75.8120.2-178.4-55.2178.9000108.6K166 Y167K166-I385 HydrophobicContact CB-CG2 4.14Å; Y167-I385 HydrophobicContact CD1-CD1 4.15Å; Y167-I385 HydrophobicContact CE1-CD1 4.05Å; Y167-I385 HydrophobicContact CE1-CG2 4.1Å; Y167-I385 HydrophobicContact CE2-CG2 3.99Å
386P73.9Confident56.6Low78 Ų7899.8 Ų99.851%0.50659%0.585SS.*PPolyproline II helixtrans-69.8156.1172.2-15.830.9000111.8A384A384-P386 WeakPolarHBondContact O-CD 3.49Å
387E75.4Confident55.5Low156 Ų156101 Ų10173%0.72959%0.59SS**PPolyproline II helixtrans-57.3142.1176.9-65.1-179.6-17200113K166K166-E387 PolarHBondContact NZ-O 2.99Å
388D74.1Confident54.9Low33 Ų33106.1 Ų106.118%0.17660%0.6CS.*PPolyproline II helixtrans-56.3149.5179.1-77-11.3000113K127 E163 K166 Y167 V390K127-D388 WeakPolarHBondContact CE-OD2 3.32Å; K127-D388 IonicContact NZ-OD2 3.44Å; E163-D388 WeakPolarHBondContact OE1-CA 3.36Å; K166-D388 VanDerWaalsContact NZ-CA 3.31Å; Y167-D388 WeakPolarHBondContact CE2-OD1 3.38Å; Y167-D388 PolarHBondContact OH-OD1 2.96Å; D388-V390 VanDerWaalsContact C-N 3.32Å; D388-V390 PolarHBondContact O-N 3.06Å
389A66.9Low54.4Low18 Ų18108.7 Ų108.715%0.14961%0.611CS.*SBendtrans-66.1-34.8177.200000113.3E64 K67 V119 V123 E163E64-A389 HydrophobicContact CG-CB 4.4Å; K67-A389 VanDerWaalsContact NZ-CB 3.31Å; V119-A389 HydrophobicContact CG1-CB 3.4Å; V119-A389 VanDerWaalsContact CG1-CB 3.4Å; V123-A389 HydrophobicContact CG2-CB 4.41Å; E163-A389 VanDerWaalsContact CD-CB 3.49Å; E163-A389 HydrophobicContact CG-CB 4.39Å; E163-A389 PolarHBondContact OE1-N 2.91Å; E163-A389 VanDerWaalsContact OE2-CB 3.23Å; E163-A389 WeakPolarHBondContact OE2-CB 3.37Å
390V71.5Confident54.3Low32 Ų32108.2 Ų108.219%0.19459%0.59CS.*SBendtrans-112.3104.5-178.5-172.60000108H58 V119 V123 D388 E392H58-V390 WeakPolarHBondContact CE1-CG2 3.37Å; V119-V390 HydrophobicContact CG1-CG2 4.26Å; V123-V390 HydrophobicContact CG1-CB 4.49Å; V123-V390 HydrophobicContact CG2-CB 4.21Å; V123-V390 HydrophobicContact CG2-CG2 4.1Å; D388-V390 VanDerWaalsContact C-N 3.32Å; D388-V390 PolarHBondContact O-N 3.06Å; V390-E392 PolarHBondContact O-N 3.18Å
391Q59.1Low54.5Low154 Ų154109.2 Ų109.272%0.7260%0.599SS**  trans-70.2117.3165.2-66.4-178.1-600107.5D393Q391-D393 PolarHBondContact O-N 3.03Å
392E49.5Very low54.7Low97 Ų97109.6 Ų109.645%0.45361%0.605SS.*  trans-74.1112.7164-76.5169.7144.500106.2K127 V390 S394K127-E392 IonicContact NZ-OE2 3.73Å; K127-E392 PolarHBondContact NZ-OE2 3.47Å; V390-E392 PolarHBondContact O-N 3.18Å; E392-S394 PolarHBondContact O-N 3.05Å
393D42.9Very low55.3Low166 Ų166107.6 Ų107.689%0.88859%0.592SS**  trans-60.687.2153.1-89.9-20.4000105.5Q391 G395Q391-D393 PolarHBondContact O-N 3.03Å; D393-G395 PolarHBondContact O-N 3.38Å
394S36.7Very low55.1Low73 Ų73113.5 Ų113.551%0.5161%0.609SS.*  trans-65.9101.5175.553.20000107.6E392 D396 E397E392-S394 PolarHBondContact O-N 3.05Å; S394-D396 PolarHBondContact O-N 3.41Å; S394-E397 PolarHBondContact O-N 3.48Å; S394-E397 VanDerWaalsContact O-N 3.16Å
395G41.5Very low55.1Low74 Ų74113.2 Ų113.276%0.76359%0.593SS**THydrogen-bonded Turntrans-64.615.3170.300000114.4D393D393-G395 PolarHBondContact O-N 3.38Å
396D38.9Very low54.7Low154 Ų154112 Ų11282%0.82459%0.593SS**THydrogen-bonded Turntrans-105.514.6173.1-59.2-41.5000111.5S394 E398S394-D396 PolarHBondContact O-N 3.41Å; D396-E398 PolarHBondContact O-N 3.18Å
397E41.5Very low53.9Low142 Ų142114.8 Ų114.866%0.66460%0.602SS**SBendtrans-61.3120.7146.3-78.6-159.7178.900106.7S394 D399S394-E397 PolarHBondContact O-N 3.48Å; S394-E397 VanDerWaalsContact O-N 3.16Å; E397-D399 PolarHBondContact O-N 3.19Å
398E43.3Very low53Low194 Ų194117.7 Ų117.791%0.90761%0.607SS**  trans-56.1101.6170-68.9-177.2149.300108.3D396 D400D396-E398 PolarHBondContact O-N 3.18Å; E398-D400 PolarHBondContact O-N 3.08Å
399D43.4Very low52.2Low106 Ų106118 Ų11857%0.56761%0.614SS**  trans-55.2101.5179.5-105.8-28.3000108.3E397 P401E397-D399 PolarHBondContact O-N 3.19Å; D399-P401 WeakPolarHBondContact O-CD 3.46Å
400D48.4Very low51.4Low66 Ų66123.1 Ų123.135%0.35363%0.634SS.*  trans-50117.5175.7166.49.2000107.8E398 N402 K403E398-D400 PolarHBondContact O-N 3.08Å; D400-N402 PolarHBondContact O-N 3.18Å; D400-N402 WeakPolarHBondContact OD1-CB 3.42Å; D400-N402 PolarHBondContact OD1-N 2.92Å; D400-N402 PolarHBondContact OD1-ND2 2.71Å; D400-K403 HydrophobicContact CB-CD 4.07Å; D400-K403 HydrophobicContact CB-CG 4.03Å; D400-K403 PolarHBondContact O-N 3.06Å
401P54.7Low50.7Low128 Ų128125.8 Ų125.883%0.83165%0.648SS**THydrogen-bonded Turntrans-63.5-3.7-172.623.8-33.6000113.7D399D399-P401 WeakPolarHBondContact O-CD 3.46Å
402N55.2Low50.6Low141 Ų141127.5 Ų127.575%0.75465%0.653SS**THydrogen-bonded Turntrans-97.4-7.2173.6-52.4-79.1000114.1D400D400-N402 PolarHBondContact O-N 3.18Å; D400-N402 WeakPolarHBondContact OD1-CB 3.42Å; D400-N402 PolarHBondContact OD1-N 2.92Å; D400-N402 PolarHBondContact OD1-ND2 2.71Å
403K59.9Low50.8Low129 Ų129131.3 Ų131.356%0.56166%0.663SS**SBendtrans-84.3121.6177.4-75.3-179.3-173.3169.50111.4D400 I405D400-K403 HydrophobicContact CB-CD 4.07Å; D400-K403 HydrophobicContact CB-CG 4.03Å; D400-K403 PolarHBondContact O-N 3.06Å; K403-I405 PolarHBondContact O-N 3.01Å
404R53.6Low51Low248 Ų248129.4 Ų129.494%0.93665%0.652SS**  trans-80.1107.5179.4-162.7-179.8-163.8-168.55.2111
405I58.4Low51.7Low91 Ų91129.4 Ų129.447%0.46766%0.656SS.*  trans-58.4138175.2-57.9174.1000110.3K403 A409K403-I405 PolarHBondContact O-N 3.01Å; I405-A409 HydrophobicContact CG2-CB 3.84Å
406S59.9Low51.9Low73 Ų73129.8 Ų129.851%0.5165%0.646SS.*  trans-77.2148.1178.481.80000112.2R408 A409 H410S406-R408 PolarHBondContact O-N 2.85Å; S406-A409 WeakPolarHBondContact O-CB 3.4Å; S406-A409 PolarHBondContact O-N 2.78Å; S406-H410 PolarHBondContact O-N 3.2Å
407I57.8Low52.3Low135 Ų135132.1 Ų132.169%0.69265%0.652SS**Hα-helixtrans-53.1-40.7178.6-62.1170.2000111.1A409 H410 D411I407-A409 PolarHBondContact O-N 2.61Å; I407-H410 WeakPolarHBondContact O-CA 3.29Å; I407-H410 WeakPolarHBondContact O-CB 3.4Å; I407-H410 PolarHBondContact O-N 2.93Å; I407-D411 PolarHBondContact O-N 3.07Å
408R55.4Low52.6Low217 Ų217133.4 Ų133.482%0.81966%0.658SS**Hα-helixtrans-63.7-22.8179-159.7177.6-171-177.42.5114.3S406S406-R408 PolarHBondContact O-N 2.85Å
409A57.2Low52.7Low41 Ų41131.4 Ų131.434%0.33965%0.648SS.*Hα-helixtrans-86.2-26.7173.500000112.3I405 S406 I407I405-A409 HydrophobicContact CG2-CB 3.84Å; S406-A409 WeakPolarHBondContact O-CB 3.4Å; S406-A409 PolarHBondContact O-N 2.78Å; I407-A409 PolarHBondContact O-N 2.61Å
410H50.4Low52.7Low124 Ų124136.1 Ų136.157%0.57466%0.664SS**Hα-helixtrans-71-46.5171-178.7-83.4000111.3S406 I407 K412 R413S406-H410 PolarHBondContact O-N 3.2Å; I407-H410 WeakPolarHBondContact O-CA 3.29Å; I407-H410 WeakPolarHBondContact O-CB 3.4Å; I407-H410 PolarHBondContact O-N 2.93Å; H410-K412 PolarHBondContact O-N 2.72Å; H410-K412 VanDerWaalsContact O-N 3.16Å; H410-R413 WeakPolarHBondContact O-CB 3.19Å; H410-R413 PolarHBondContact O-N 3.19Å
411D57.4Low52.5Low89 Ų89137.6 Ų137.648%0.47668%0.68SS.*G310 helixtrans-62.6-25.6-179.5-59.2-21000112.6I407 R413I407-D411 PolarHBondContact O-N 3.07Å; D411-R413 PolarHBondContact O-N 2.9Å
412K56.7Low52.2Low189 Ų189139.1 Ų139.182%0.82268%0.681SS**G310 helixtrans-69.4-13.6173.6-126.1-172.1-178.7-168.90113.9H410H410-K412 PolarHBondContact O-N 2.72Å; H410-K412 VanDerWaalsContact O-N 3.16Å
413R53.5Low51.6Low178 Ų178135.9 Ų135.967%0.67267%0.669SS**G310 helixtrans-101.24.6-178.6-64.6-177.6178.5178.20.4113.5H410 D411 A415H410-R413 WeakPolarHBondContact O-CB 3.19Å; H410-R413 PolarHBondContact O-N 3.19Å; D411-R413 PolarHBondContact O-N 2.9Å; R413-A415 PolarHBondContact O-N 3.21Å
414I47.6Very low50.7Low126 Ų126139.4 Ų139.465%0.64669%0.688SS**  trans-77.7103.6176.4-58.2178.2000108.7
415A50.7Low50.2Low73 Ų73134.6 Ų134.660%0.60368%0.681SS**  trans-68150.3167.600000110.5R413R413-A415 PolarHBondContact O-N 3.21Å
416C45.4Very low49.7Very low81 Ų81136.9 Ų136.955%0.54769%0.69SS.*  trans-76.8133.7177.1-167.70000110.2E418 E419C416-E418 PolarHBondContact O-N 2.99Å; C416-E419 HydrophobicContact CB-CG 4.45Å; C416-E419 PolarHBondContact O-N 3.11Å; C416-E419 VanDerWaalsContact O-N 3.15Å
417E48.3Very low48.6Very low203 Ų203136 Ų13695%0.94969%0.692SS**THydrogen-bonded Turntrans-65.8-7.7-178.8-63.5-169.9158.800114.1
418E47.1Very low47.8Very low169 Ų169139.9 Ų139.979%0.7971%0.707SS**THydrogen-bonded Turntrans-95.1-0.2176.2-61.8-167.5167.400114.3C416 F420C416-E418 PolarHBondContact O-N 2.99Å; E418-F420 PolarHBondContact O-N 3.45Å
419E44.9Very low46.9Very low152 Ų152132.4 Ų132.471%0.7170%0.698SS**  trans-80.4104.3174.1-73.2-171.6161.300111.7C416 S421C416-E419 HydrophobicContact CB-CG 4.45Å; C416-E419 PolarHBondContact O-N 3.11Å; C416-E419 VanDerWaalsContact O-N 3.15Å; E419-S421 PolarHBondContact O-N 2.7Å
420F43.2Very low45.9Very low206 Ų206133.8 Ų133.890%0.90472%0.716SS**  trans-6792.5170.4-77.2-87.4000111.2E418E418-F420 PolarHBondContact O-N 3.45Å
421S46.2Very low45.1Very low97 Ų97137.6 Ų137.668%0.67873%0.725SS**  trans-89.696166.9-167.10000110.1E419 S423E419-S421 PolarHBondContact O-N 2.7Å; S421-S423 PolarHBondContact O-N 3.08Å
422D46.6Very low44Very low159 Ų159144.3 Ų144.385%0.8574%0.744SS**  trans-76.875.4161.3-84.8-18.1000108.3
423S43.7Very low43.2Very low73 Ų73143.3 Ų143.351%0.5175%0.747SS.*  trans-72.1126.3172.558.40000110.1S421 D425S421-S423 PolarHBondContact O-N 3.08Å; S423-D425 PolarHBondContact O-N 3.1Å
424E40.8Very low42.3Very low204 Ų204139.2 Ų139.295%0.95375%0.752SS**THydrogen-bonded Turntrans-71.921.3177.8-59.7-173.9154.700113.3
425D43.8Very low41.7Very low147 Ų147138 Ų13879%0.78676%0.76SS**THydrogen-bonded Turntrans-104.811.8-179.9-157.829.9000113S423 G427S423-D425 PolarHBondContact O-N 3.1Å; D425-G427 PolarHBondContact O-N 3.16Å
426E47.6Very low40.9Very low139 Ų139140.1 Ų140.165%0.6577%0.771SS**  trans-70.974.4156.6-80.1-146-165.400109.5R431E426-R431 IonicContact OE1-CZ 3.45Å; E426-R431 IonicContact OE1-NH2 2.8Å; E426-R431 PolarHBondContact OE1-NH2 2.95Å; E426-R431 IonicContact OE2-NE 3.33Å; E426-R431 IonicContact OE2-NH2 2.77Å
427G37.2Very low40.2Very low55 Ų55146.1 Ų146.157%0.56778%0.783SS**  trans-57163.5170.700000112.7D425 G429D425-G427 PolarHBondContact O-N 3.16Å; G427-G429 VanDerWaalsContact C-N 3.34Å; G427-G429 WeakPolarHBondContact O-CA 3.46Å; G427-G429 PolarHBondContact O-N 3.27Å
428E41.2Very low39.4Very low216 Ų216144.6 Ų144.6100%1.00977%0.773SS**SBendtrans-51.882.6-170.5-62.9-173.5136.800114.8
429G35.7Very low38.6Very low60 Ų60147 Ų14762%0.61978%0.781SS**  trans-142.955-165.600000112.5G427 R431G427-G429 VanDerWaalsContact C-N 3.34Å; G427-G429 WeakPolarHBondContact O-CA 3.46Å; G427-G429 PolarHBondContact O-N 3.27Å; G429-R431 PolarHBondContact O-N 3.36Å
430G35Very low37.9Very low69 Ų69144.6 Ų144.671%0.71179%0.788SS**  trans-48.5122-17300000114.3R432G430-R432 PolarHBondContact O-N 3.21Å
431R35.1Very low37.3Very low204 Ų204144.7 Ų144.777%0.7779%0.787SS**  trans-55.690.8-178.2-65.7-179.9-176.7179.3-0.8112.2E426 G429 N433E426-R431 IonicContact OE1-CZ 3.45Å; E426-R431 IonicContact OE1-NH2 2.8Å; E426-R431 PolarHBondContact OE1-NH2 2.95Å; E426-R431 IonicContact OE2-NE 3.33Å; E426-R431 IonicContact OE2-NH2 2.77Å; G429-R431 PolarHBondContact O-N 3.36Å; R431-N433 PolarHBondContact O-N 2.97Å
432R34.8Very low36.4Very low231 Ų231151.2 Ų151.287%0.87280%0.797SS**  trans-87.993.5171.4-76.5-174178169.62.9110.5G430 A434G430-R432 PolarHBondContact O-N 3.21Å; R432-A434 PolarHBondContact O-N 3.22Å; R432-A434 VanDerWaalsContact O-N 3.09Å
433N39Very low35.5Very low168 Ų168149.6 Ų149.690%0.89879%0.793SS**  trans-56.3112156.9-79.9-30.4000109R431R431-N433 PolarHBondContact O-N 2.97Å
434A35.4Very low34.7Very low92 Ų92156.1 Ų156.176%0.7681%0.812SS**  trans-128.977.7-177.700000110.9R432R432-A434 PolarHBondContact O-N 3.22Å; R432-A434 VanDerWaalsContact O-N 3.09Å
435A33.3Very low34.2Very low100 Ų100152 Ų15283%0.82680%0.801SS**  trans-64.2139.6159.300000110Y437A435-Y437 PolarHBondContact O-N 2.93Å
436S35.2Very low33.5Very low118 Ų118153.9 Ų153.983%0.82581%0.806SS**  trans-4112.1166.1-173.50000118.1
437Y30.6Very low32.6Very low206 Ų206150.9 Ų150.981%0.80881%0.812SS**  trans-154.5163.2133.9-145.8-111.3000114.9A435A435-Y437 PolarHBondContact O-N 2.93Å
438K30.7Very low32.2Very low171 Ų171156.2 Ų156.274%0.74382%0.822SS**  trans-73.4150.7-167.1-67.8169175.7171.80114.4A440K438-A440 PolarHBondContact O-N 3.26Å
439K30.4Very low31.5Very low220 Ų220152.9 Ų152.996%0.95780%0.804SS**  trans-49.7131.1165.8-91.5175173.5167.50112.1
440A30.1Very low31.2Very low102 Ų102156.7 Ų156.784%0.84381%0.806SS**  trans-133.3128.8156.400000109.6K438K438-A440 PolarHBondContact O-N 3.26Å
441K30.2Very low30.9Very low207 Ų207159.2 Ų159.290%0.981%0.807SS**  trans-91.5141.9-179.4-116.6-178.8177-177.10110
442R28.7Very low30.6Very low235 Ų235157.5 Ų157.589%0.88781%0.808SS**  trans-137.5103.6154.8-99.8-170.6160.5174.2-5.7108.3
443T26.2Very low30.3Very low125 Ų125152.5 Ų152.577%0.76780%0.795SS**  65.6104101.753.20000114.5
444K28.2Very low29.8Very low209 Ų209151.2 Ų151.291%0.90978%0.781SS**  trans-101.7139145-94.8-175170.6-176.80107.6
445T29.7Very low29.5Very low118 Ų118155.8 Ų155.872%0.72478%0.784SS**  trans-62.7131.9172.713.20000110.8
446E29.4Very low29.2Very low187 Ų187159.9 Ų159.987%0.87478%0.783SS**  57.8110.3105-64.1178.6175.300112.8
447G27.6Very low28.8Very low75 Ų75158.6 Ų158.677%0.77377%0.774SS**  cis-148.1-144.13.600000112.7
448E29.1Very low28.7Very low167 Ų167154.2 Ų154.278%0.7877%0.769SS**  cis-157.8-179.14.3-118.8-76.152.500110.3
449K27.6Very low28.6Very low146 Ų146154.3 Ų154.364%0.63577%0.772SS**  trans-55.9168.1173.6-71.8162.3167.2-92.90116.1
450E28.3Very low28.4Very low141 Ų141152.6 Ų152.666%0.65977%0.767SS**  cis-163.7146.6-11.4-101.4156.9-171.600103.7
451T28.6Very low29.4Very low121 Ų121152.6 Ų152.674%0.74276%0.759SS**  -179.4151.282.335.20000112
452E28.7Very low29.3Very low169 Ų169151.6 Ų151.679%0.7976%0.755SS**  trans29.9145.4136.1-62.3-173.414800122.2
453E29.9Very low29.4Very low125 Ų125148.4 Ų148.458%0.58475%0.749SS**  cis-166.5159.713.6-131-166.7161.600114.8
454K28.6Very low29.6Very low142 Ų142148.6 Ų148.662%0.61775%0.75SS**  trans71.7131144.3-84.6171.9-174.1134.80125.2
455K28.1Very low29.7Very low188 Ų188148 Ų14882%0.81775%0.748SS**  trans74143.4144.4-71.2174180178.40118.5
456K27.5Very low29.7Very low185 Ų185150.5 Ų150.580%0.80475%0.751SS**  cis178.1139.7-18.5-140.4-171.3-179.6-165.50106
457S26.4Very low29.7Very low91 Ų91150.2 Ų150.264%0.63675%0.75SS**  trans37.9139.1142.661.50000121
458T28.1Very low29.8Very low115 Ų115153.2 Ų153.271%0.70674%0.744SS**  cis-167.7143.843.760000112
459E29.1Very low29.9Very low173 Ų173153.3 Ų153.381%0.80874%0.741SS**  30.4118.3125.8-63.8169.6152.800123
460E26.6Very low30Very low183 Ų183152.9 Ų152.986%0.85575%0.751SS**  27.9171.5111.8-79.3-170-161.100123.3
461P50.8Low31Very low103 Ų103151.3 Ų151.367%0.66975%0.753SS**  cis-139.3-162.8-41.340.9-22.7000112.5
462K28.8Very low31.2Very low186 Ų186154.8 Ų154.881%0.80976%0.761SS**  trans-173113.3148.9-104.7164-174.7-175.80110.8
463E29.8Very low31.4Very low167 Ų167155.2 Ų155.278%0.7876%0.763SS**  60.4113.992.2-67.7-171.9143.900114
464V31.4Very low31.5Very low129 Ų129155.4 Ų155.478%0.78276%0.764SS**  cis88.9119.445.2176.10000114.5
465K29.6Very low31.8Very low196 Ų196157 Ų15785%0.85277%0.771SS**  trans170122.5143.5-94.7171.9-178.4-1660107.9
466E29.2Very low32Very low171 Ų171155.9 Ų155.980%0.79977%0.77SS**  cis80149.347.7-78.2-161.6144.500116.6
467E30.5Very low32.3Very low181 Ų181154.6 Ų154.685%0.84677%0.772SS**  trans76.9147.2175.5-61.1-17718000118.9
468E30Very low32.7Very low138 Ų138155.8 Ų155.865%0.64578%0.776SS**  cis-168.8164.7-39.9-136.9-163.6148.500110.5
469K30.3Very low33.1Very low169 Ų169156.3 Ų156.374%0.73578%0.784SS**  trans78.3135.3152.2-76.8163.4178133.90123.6
470V30.2Very low33.5Very low137 Ų137157.6 Ų157.683%0.8379%0.787SS**  trans-93.8-168.3173-126.30000109.5
471P49.3Very low34.6Very low109 Ų109154.4 Ų154.471%0.70878%0.782SS**  cis-128.4-176.7-32.534.3-16.2000112.6
472E31.6Very low34Very low194 Ų194157.3 Ų157.391%0.90779%0.792SS**  trans-150153.2153.1-134.8173.8-155.800113.4
473E33Very low34.5Very low177 Ų177156.7 Ų156.783%0.82779%0.792SS**  trans-125176.6-177.9-56.1-173.280.800108.4
474E32.9Very low35.1Very low130 Ų130157.4 Ų157.461%0.60780%0.795SS**  cis-161.615121-173.3-126.1133.700107.7
475K33.7Very low36.6Very low176 Ų176155.7 Ų155.777%0.76579%0.787SS**  161.6141.7127.1-88.4164.2-170-178.20117.7
476M32.8Very low37.3Very low164 Ų164156.2 Ų156.281%0.80879%0.79SS**  trans-75.7157166.7-54.1160.1104.500111.6
477D34.3Very low37.9Very low158 Ų158153.9 Ų153.985%0.84579%0.787SS**  -149.4154.4122.5-154.5-0.9000111.5
478T34.9Very low39.3Very low115 Ų115154.6 Ų154.671%0.70681%0.808SS**  trans-130.6134.2-175.951.70000110.4
479S35.7Very low39.8Very low127 Ų127155.5 Ų155.589%0.88882%0.816SS**  trans-143.7143.3160.352.50000112.2
480K38.3Very low40.3Very low199 Ų199154.7 Ų154.787%0.86582%0.82SS**  trans-100.4164.1-173.5-93.1-176.8176-178.50111.5
481P48.6Very low40.9Very low117 Ų117155.7 Ų155.776%0.7682%0.819SS**  trans-75.9167.1177.234.4-37.3000112.3
482N39.5Very low40.4Very low163 Ų163158.5 Ų158.587%0.87283%0.826SS**  trans-133.1160.5176.1-132.220.7000112.8
483E38.3Very low40.9Very low174 Ų174156.3 Ų156.381%0.81382%0.821SS**  trans-90.8137.9-154.8-69.6165.5147.200117
484E41.9Very low41.5Very low181 Ų181154.9 Ų154.985%0.84682%0.82SS**  64.6-174.4117.5-128.7-166.8-123.700120.2
485P63.1Low42.1Very low94 Ų94156.6 Ų156.661%0.6184%0.836SS**  -123.7-179.4-11043.2-28.2000116.1
486K45.5Very low42.7Very low207 Ų207155.2 Ų155.290%0.984%0.841SS**  trans-170.1137.7144.6-108.8152.1-169.6170.10116.9
487T40.8Very low43.5Very low121 Ų121154.4 Ų154.474%0.74284%0.844SS**  trans-75.3169.6159.920.20000111.7
488P61.5Low44.4Very low197 Ų197154.1 Ų154.1100%1.27984%0.844SS**  -102.6076.9-15.333.1000115.2

Retrieved 488 of 488 residues in 782.9 ms (Link to these results)

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