Z4YIB5_DANRE Loading...

RBR-type E3 ubiquitin transferase

E3 ubiquitin-protein ligase which accepts ubiquitin from E2 ubiquitin-conjugating enzymes ube2l3 and ube2l6 in the form of a thioester and then directly transfers the ubiquitin to targeted substrates.

AlphaFold DB , UniProt , Accession Z4YIB5, Species DANRE (Danio rerio, Zebrafish), Gene rnf144ab, Length 294 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
1M39.9Very low43.8Very low248 Ų248155.2 Ų155.2100%1.22280%0.796SS**  094.40-71153.481.800107.5
2S37.7Very low45Very low123 Ų123151.3 Ų151.386%0.8678%0.784SS**  trans-115.7109.2170.5-173.10000106.3S4S2-S4 PolarHBondContact O-N 3.14Å
3S41Very low46.1Very low117 Ų117152 Ų15282%0.81879%0.79SS**  trans-87.1104.9179.9-159.50000107.1R5S3-R5 PolarHBondContact O-N 2.99Å
4S41.8Very low47.4Very low114 Ų114152.6 Ų152.680%0.79779%0.794SS**  trans-74.7115.2172.6-1740000108.3S2 Y6S2-S4 PolarHBondContact O-N 3.14Å; S4-Y6 PolarHBondContact O-N 3.01Å
5R47.8Very low48.9Very low223 Ų223146.3 Ų146.384%0.84277%0.773SS**  trans-72.4116.8170.2-88.4-179.4-87-164.7-4.4108.2S3 E7S3-R5 PolarHBondContact O-N 2.99Å; R5-E7 PolarHBondContact O-N 3.44Å
6Y44Very low50.9Low202 Ų202143.9 Ų143.979%0.79277%0.769SS**  trans-80.3107.4168.3-180-98.5000108.1S4 P8S4-Y6 PolarHBondContact O-N 3.01Å; Y6-P8 HydrophobicContact CE1-CB 4.11Å; Y6-P8 HydrophobicContact CE1-CG 4.38Å
7E42.8Very low53.2Low159 Ų159141.2 Ų141.274%0.74375%0.753SS**  trans-90.2118.1167.3-74.4-75.3126.700107.7R5 S9R5-E7 PolarHBondContact O-N 3.44Å; E7-S9 PolarHBondContact O-N 3.25Å
8P45.4Very low55.3Low61 Ų61136.7 Ų136.740%0.39673%0.729SS.*  trans-77.6115.6172.313.4-0.5000109Y6 W10Y6-P8 HydrophobicContact CE1-CB 4.11Å; Y6-P8 HydrophobicContact CE1-CG 4.38Å; P8-W10 PolarHBondContact O-N 3.47Å
9S44.1Very low57.3Low100 Ų100133.3 Ų133.370%0.69972%0.717SS**  trans-74.5105.6168.357.40000109E7 D11E7-S9 PolarHBondContact O-N 3.25Å; S9-D11 VanDerWaalsContact C-N 3.28Å; S9-D11 PolarHBondContact O-N 3.08Å; S9-D11 VanDerWaalsContact O-N 3.09Å
10W48.2Very low59.2Low217 Ų217126.7 Ų126.782%0.82268%0.681SS**  trans-80.478.8170.7-5686.2000108.9P8 V12P8-W10 PolarHBondContact O-N 3.47Å; W10-V12 VanDerWaalsContact C-N 3.27Å; W10-V12 HydrophobicContact CB-CG2 4.49Å; W10-V12 PolarHBondContact O-N 3.15Å
11D48.8Very low60.7Low143 Ų143126.7 Ų126.777%0.76568%0.675SS**  trans-73.989.6161.9-77.1-45.2000107.4S9 D13S9-D11 VanDerWaalsContact C-N 3.28Å; S9-D11 PolarHBondContact O-N 3.08Å; S9-D11 VanDerWaalsContact O-N 3.09Å; D11-D13 PolarHBondContact O-N 3.27Å
12V58.3Low63.3Low108 Ų108118.3 Ų118.366%0.65564%0.635SS**  trans-78.398.8169.1-178.90000106.5W10 L14W10-V12 VanDerWaalsContact C-N 3.27Å; W10-V12 HydrophobicContact CB-CG2 4.49Å; W10-V12 PolarHBondContact O-N 3.15Å; V12-L14 PolarHBondContact O-N 3.21Å
13D59.9Low66Low161 Ų161115.3 Ų115.386%0.86161%0.613SS**  trans-57.798.4167.5-84.2-37.1000108.7D11 A15D11-D13 PolarHBondContact O-N 3.27Å; D13-A15 PolarHBondContact O-N 3.49Å; D13-A15 VanDerWaalsContact O-N 3.14Å
14L64.4Low68.6Low160 Ų160116.3 Ų116.384%0.83861%0.609SS**  trans-65.3113.6170.1-85.7105.9000108V12V12-L14 PolarHBondContact O-N 3.21Å
15A69.3Low71Confident58 Ų58112 Ų11248%0.47958%0.582SS.*PPolyproline II helixtrans-55.4134.3175.500000110.3D13 L17D13-A15 PolarHBondContact O-N 3.49Å; D13-A15 VanDerWaalsContact O-N 3.14Å; A15-L17 PolarHBondContact O-N 2.83Å
16P81.2Confident73.2Confident109 Ų109108 Ų10871%0.70857%0.573SS**PPolyproline II helixtrans-63.7127.8-178.323.4-31.1000110.9
17L89.3Confident75.5Confident97 Ų97100.8 Ų100.851%0.50855%0.546SS..PPolyproline II helixtrans-81.2144.2174.1-60175.2000110.4A15 E26 P28A15-L17 PolarHBondContact O-N 2.83Å; L17-E26 HydrophobicContact CB-CB 4.18Å; L17-E26 HydrophobicContact CD1-CB 4.28Å; L17-P28 HydrophobicContact CD2-CB 4.06Å
18L91.8Very high77.9Confident61 Ų6194.8 Ų94.832%0.31952%0.52SS..EExtended strand (participates in β ladder)trans-111.2145.6176.4-65.6172.7000109.5E26 F27 L29 M32L18-E26 CarbonylContact O-C 3.55Å; L18-E26 VanDerWaalsContact O-CA 3.3Å; L18-E26 WeakPolarHBondContact O-CA 3.26Å; L18-F27 PolarHBondContact N-O 3.38Å; L18-F27 PolarHBondContact O-N 3.5Å; L18-L29 HydrophobicContact CD1-CD1 3.61Å; L18-M32 HydrophobicContact CB-CE 3.38Å; L18-M32 HydrophobicContact CB-CG 4.15Å; L18-M32 HydrophobicContact CD1-CG 4.08Å; L18-M32 WeakPolarHBondContact O-CE 3.24Å
19S93.4Very high80.1Confident72 Ų7297 Ų9750%0.50353%0.528SS..EExtended strand (participates in β ladder)trans-92.5129.5178-178.80000111.3G25S19-G25 WeakPolarHBondContact CA-O 3.49Å
20C95.2Very high82.4Confident0 Ų099.4 Ų99.40%053%0.529CS..  trans-85.9125.5173.6178.70000110.8L22 L24 G25 F27 M32 C43C20-L22 VanDerWaalsContact C-N 3.28Å; C20-L22 PolarHBondContact O-N 2.91Å; C20-L22 PolarHBondContact SG-N 2.97Å; C20-L24 WeakPolarHBondContact O-CA 3.13Å; C20-L24 PolarHBondContact O-N 3.37Å; C20-G25 PolarHBondContact N-O 2.79Å; C20-F27 HydrophobicContact CB-CD2 4.1Å; C20-F27 HydrophobicContact CB-CE2 4.04Å; C20-M32 HydrophobicContact CB-CE 4.27Å; C20-C43 HydrophobicContact CB-CB 4.04Å; C20-C43 PolarHBondContact SG-N 2.88Å; C20-C43 VanDerWaalsContact SG-SG 3.69Å
21K91.4Very high84.5Confident127 Ų12794.1 Ų94.155%0.55251%0.513SS*.THydrogen-bonded Turntrans-71.7-14.1179.6-65177.9174.4-178.60115.4F42 D67K21-F42 HydrophobicContact CB-CD1 4.44Å; K21-F42 HydrophobicContact CB-CE1 4.14Å; K21-D67 IonicContact NZ-OD2 2.71Å; K21-D67 PolarHBondContact NZ-OD2 3.28Å
22L93.8Very high86.7Confident73 Ų7388.1 Ų88.138%0.38248%0.481SS..THydrogen-bonded Turntrans-88.7-47.1-178.4-70.8172.3000112.4C20 F42 C46 P66C20-L22 VanDerWaalsContact C-N 3.28Å; C20-L22 PolarHBondContact O-N 2.91Å; C20-L22 PolarHBondContact SG-N 2.97Å; L22-F42 HydrophobicContact CD1-CB 4.42Å; L22-F42 HydrophobicContact CD1-CD1 3.73Å; L22-F42 HydrophobicContact CD1-CE1 4.23Å; L22-F42 HydrophobicContact CD1-CG 4.19Å; L22-F42 HydrophobicContact CG-CD1 3.68Å; L22-F42 HydrophobicContact CG-CE1 3.96Å; L22-C46 HydrophobicContact CB-CB 3.87Å; L22-C46 HydrophobicContact CD1-CB 3.76Å; L22-C46 HydrophobicContact CG-CB 4.48Å; L22-P66 HydrophobicContact CD1-CB 4Å; L22-P66 HydrophobicContact CD1-CG 4.17Å; L22-P66 HydrophobicContact CD2-CB 3.88Å; L22-P66 HydrophobicContact CG-CB 4.34Å
23C95.2Very high88.4Confident59 Ų5984.7 Ų84.740%0.39946%0.46SS..THydrogen-bonded Turntrans-104.6-3.9178.662.20000114.2G25 F27 C46C23-G25 PolarHBondContact O-N 3.43Å; C23-G25 VanDerWaalsContact O-N 3.1Å; C23-F27 VanDerWaalsContact SG-CE2 3.54Å; C23-C46 VanDerWaalsContact CB-SG 3.52Å; C23-C46 VanDerWaalsContact SG-SG 3.63Å
24L93.6Very high90.1Very high139 Ų13979.5 Ų79.573%0.72843%0.434SS*.  trans60.813.6-177.8-50.5177.8000114.5C20C20-L24 WeakPolarHBondContact O-CA 3.13Å; C20-L24 PolarHBondContact O-N 3.37Å
25G92.6Very high91.5Very high22 Ų2272 Ų7223%0.22740%0.395CS..  trans-85159.1176.300000113.4S19 C20 C23 F27S19-G25 WeakPolarHBondContact CA-O 3.49Å; C20-G25 PolarHBondContact N-O 2.79Å; C23-G25 PolarHBondContact O-N 3.43Å; C23-G25 VanDerWaalsContact O-N 3.1Å; G25-F27 VanDerWaalsContact C-CE2 3.43Å; G25-F27 WeakPolarHBondContact O-CD2 3.41Å; G25-F27 WeakPolarHBondContact O-CE2 3.46Å
26E94.5Very high92.7Very high139 Ų13972.2 Ų72.265%0.6539%0.393SS*.EExtended strand (participates in β ladder)trans-101.2129.8174.4-64.8-171.3162.200110.7L17 L18L17-E26 HydrophobicContact CB-CB 4.18Å; L17-E26 HydrophobicContact CD1-CB 4.28Å; L18-E26 CarbonylContact O-C 3.55Å; L18-E26 VanDerWaalsContact O-CA 3.3Å; L18-E26 WeakPolarHBondContact O-CA 3.26Å
27F93.3Very high93.4Very high52 Ų5270.9 Ų70.923%0.22838%0.377CS..EExtended strand (participates in β ladder)trans-137.6148.6-174.4-58.4-86.8000110.8L18 C20 C23 G25 Q31 M32 C43L18-F27 PolarHBondContact N-O 3.38Å; L18-F27 PolarHBondContact O-N 3.5Å; C20-F27 HydrophobicContact CB-CD2 4.1Å; C20-F27 HydrophobicContact CB-CE2 4.04Å; C23-F27 VanDerWaalsContact SG-CE2 3.54Å; G25-F27 VanDerWaalsContact C-CE2 3.43Å; G25-F27 WeakPolarHBondContact O-CD2 3.41Å; G25-F27 WeakPolarHBondContact O-CE2 3.46Å; F27-Q31 HydrophobicContact CB-CB 4.2Å; F27-M32 HydrophobicContact CB-CE 3.98Å; F27-M32 HydrophobicContact CB-CG 4.48Å; F27-M32 HydrophobicContact CB-SD 4.14Å; F27-M32 HydrophobicContact CD2-CE 4.18Å; F27-C43 HydrophobicContact CD1-CB 4.44Å; F27-C43 HydrophobicContact CD2-CB 3.61Å; F27-C43 HydrophobicContact CE2-CB 3.8Å; F27-C43 HydrophobicContact CG-CB 3.95Å; F27-C43 HydrophobicContact CZ-CB 4.3Å
28P93.2Very high93.6Very high32 Ų3266.7 Ų66.721%0.20836%0.356CS..  trans-70.6160.1173.735.8-39000110.3L17 E30 Q31L17-P28 HydrophobicContact CD2-CB 4.06Å; P28-E30 VanDerWaalsContact CB-OE2 3.31Å; P28-E30 WeakPolarHBondContact CB-OE2 3.45Å; P28-E30 PolarHBondContact O-N 3.41Å; P28-E30 VanDerWaalsContact O-N 3.14Å; P28-Q31 HydrophobicContact CG-CB 4.37Å; P28-Q31 HydrophobicContact CG-CG 4.04Å; P28-Q31 PolarHBondContact O-N 3.41Å
29L90.7Very high93.7Very high107 Ų10769.3 Ų69.356%0.5637%0.366SS*.G310 helixtrans-57.6-31.8-172.3-177.965.8000113L18 Q31 M32L18-L29 HydrophobicContact CD1-CD1 3.61Å; L29-Q31 PolarHBondContact O-N 3.03Å; L29-M32 WeakPolarHBondContact O-CB 3.46Å; L29-M32 PolarHBondContact O-N 2.95Å; L29-M32 VanDerWaalsContact O-N 3.09Å
30E91.6Very high93.8Very high152 Ų15266.8 Ų66.871%0.7135%0.348SS*.G310 helixtrans-68.2-20.9-179.7-52.577.6-16600112.8P28P28-E30 VanDerWaalsContact CB-OE2 3.31Å; P28-E30 WeakPolarHBondContact CB-OE2 3.45Å; P28-E30 PolarHBondContact O-N 3.41Å; P28-E30 VanDerWaalsContact O-N 3.14Å
31Q93.3Very high93.7Very high106 Ų10669.8 Ų69.850%0.49536%0.364SS..G310 helixtrans-98.77.6176.8-63.3-179.422.200112.3F27 P28 L29 C43 S44F27-Q31 HydrophobicContact CB-CB 4.2Å; P28-Q31 HydrophobicContact CG-CB 4.37Å; P28-Q31 HydrophobicContact CG-CG 4.04Å; P28-Q31 PolarHBondContact O-N 3.41Å; L29-Q31 PolarHBondContact O-N 3.03Å; Q31-C43 CarbonylContact O-C 3.54Å; Q31-C43 WeakPolarHBondContact O-CA 3.24Å; Q31-S44 PolarHBondContact O-N 3.17Å; Q31-S44 PolarHBondContact O-OG 3.15Å; Q31-S44 VanDerWaalsContact O-OG 3.09Å
32M94.6Very high94Very high17 Ų1763.8 Ų63.88%0.08434%0.338CS..EExtended strand (participates in β ladder)trans-105.6144.5177-67.4-61.1-150.700110.6L18 C20 F27 L29 I41 F42 C43L18-M32 HydrophobicContact CB-CE 3.38Å; L18-M32 HydrophobicContact CB-CG 4.15Å; L18-M32 HydrophobicContact CD1-CG 4.08Å; L18-M32 WeakPolarHBondContact O-CE 3.24Å; C20-M32 HydrophobicContact CB-CE 4.27Å; F27-M32 HydrophobicContact CB-CE 3.98Å; F27-M32 HydrophobicContact CB-CG 4.48Å; F27-M32 HydrophobicContact CB-SD 4.14Å; F27-M32 HydrophobicContact CD2-CE 4.18Å; L29-M32 WeakPolarHBondContact O-CB 3.46Å; L29-M32 PolarHBondContact O-N 2.95Å; L29-M32 VanDerWaalsContact O-N 3.09Å; M32-I41 HydrophobicContact CB-CG2 3.7Å; M32-I41 HydrophobicContact CG-CG2 4.13Å; M32-I41 HydrophobicContact SD-CG2 4.28Å; M32-F42 CarbonylContact C-O 3.54Å; M32-F42 WeakPolarHBondContact CA-O 3.49Å; M32-C43 WeakPolarHBondContact SD-CA 3.37Å; M32-C43 HydrophobicContact SD-CB 3.85Å; M32-C43 PolarHBondContact SD-N 3.49Å
33T94.8Very high94.1Very high36 Ų3660.5 Ų60.522%0.22132%0.321CS..EExtended strand (participates in β ladder)trans-120.9134.5171.1-53.90000110I41 F42 S44 L47 M84T33-I41 WeakPolarHBondContact O-CA 3.4Å; T33-F42 PolarHBondContact N-O 3.47Å; T33-F42 PolarHBondContact O-N 2.96Å; T33-S44 WeakPolarHBondContact OG1-CB 3.37Å; T33-S44 PolarHBondContact OG1-OG 3.44Å; T33-L47 HydrophobicContact CG2-CD2 3.97Å; T33-M84 HydrophobicContact CG2-CE 3.44Å; T33-M84 VanDerWaalsContact CG2-CE 3.44Å
34T94.5Very high94.1Very high52 Ų5259.8 Ų59.832%0.31932%0.316SS..EExtended strand (participates in β ladder)trans-104.1130.5178.3-55.40000109.6Q39 C40 I41T34-Q39 HydrophobicContact CG2-CB 4.48Å; T34-C40 WeakPolarHBondContact CA-O 3.14Å; T34-I41 HydrophobicContact CG2-CG1 4.1Å
35I95.1Very high94.2Very high2 Ų258.5 Ų58.51%0.0131%0.31CS..  trans-79.9123174.8-58.2173000109.1Q37 C38 Q39 C40 F42 L47 C65 L76I35-Q37 PolarHBondContact O-N 3.22Å; I35-C38 PolarHBondContact O-N 2.98Å; I35-Q39 VanDerWaalsContact O-CA 3.25Å; I35-Q39 WeakPolarHBondContact O-CA 3.43Å; I35-Q39 PolarHBondContact O-N 3.17Å; I35-C40 PolarHBondContact N-O 3.45Å; I35-F42 HydrophobicContact CD1-CD2 4.23Å; I35-F42 HydrophobicContact CD1-CE2 3.83Å; I35-L47 HydrophobicContact CD1-CD1 4.34Å; I35-L47 HydrophobicContact CG1-CD2 4.2Å; I35-C65 HydrophobicContact CD1-CB 4.25Å; I35-L76 HydrophobicContact CD1-CD1 4.02Å; I35-L76 HydrophobicContact CD1-CG 4.4Å; I35-L76 HydrophobicContact CG1-CG 4.42Å; I35-L76 HydrophobicContact CG2-CG 4.44Å
36S94.3Very high94.4Very high62 Ų6258.3 Ų58.343%0.43431%0.305SS..THydrogen-bonded Turntrans-61.8-39.8-171.4-60.80000113.4Q39 E80S36-Q39 PolarHBondContact O-NE2 2.84Å; S36-E80 WeakPolarHBondContact CB-OE1 3.4Å; S36-E80 PolarHBondContact N-OE1 2.88Å; S36-E80 PolarHBondContact OG-OE1 3.17Å
37Q94.5Very high94.5Very high82 Ų8251.8 Ų51.838%0.38327%0.274SS..THydrogen-bonded Turntrans-69.3-36.1-176.2-65.5-167.61600113.3I35 K72 H75 L77I35-Q37 PolarHBondContact O-N 3.22Å; Q37-K72 WeakPolarHBondContact O-CD 3.44Å; Q37-H75 VanDerWaalsContact CG-O 3.29Å; Q37-H75 WeakPolarHBondContact CG-O 3.29Å; Q37-H75 PolarHBondContact NE2-O 2.94Å; Q37-H75 PolarHBondContact OE1-O 3.22Å; Q37-L77 HydrophobicContact CG-CD2 4.35Å; Q37-L77 HydrophobicContact CG-CG 4.4Å
38C94.4Very high94.6Very high9 Ų953.3 Ų53.36%0.06128%0.281CS..THydrogen-bonded Turntrans-117.3-11.5-172.960.30000115.6I35 C40 C65 C70 K72I35-C38 PolarHBondContact O-N 2.98Å; C38-C40 PolarHBondContact O-N 2.78Å; C38-C40 VanDerWaalsContact SG-SG 3.7Å; C38-C65 VanDerWaalsContact SG-SG 3.67Å; C38-C70 WeakPolarHBondContact CB-SG 3.47Å; C38-K72 HydrophobicContact CB-CB 3.97Å
39Q94.3Very high94.7Very high116 Ų11657 Ų5754%0.54230%0.295SS..  trans61.818.1-175.8-53.7-65.9-44.500113.9T34 I35 S36T34-Q39 HydrophobicContact CG2-CB 4.48Å; I35-Q39 VanDerWaalsContact O-CA 3.25Å; I35-Q39 WeakPolarHBondContact O-CA 3.43Å; I35-Q39 PolarHBondContact O-N 3.17Å; S36-Q39 PolarHBondContact O-NE2 2.84Å
40C94.3Very high94.9Very high18 Ų1854.6 Ų54.612%0.12228%0.279CS..  trans-71.9140.5171-66.40000109.9T34 I35 C38 F42 C70T34-C40 WeakPolarHBondContact CA-O 3.14Å; I35-C40 PolarHBondContact N-O 3.45Å; C38-C40 PolarHBondContact O-N 2.78Å; C38-C40 VanDerWaalsContact SG-SG 3.7Å; C40-F42 HydrophobicContact CB-CE2 3.66Å; C40-F42 HydrophobicContact CB-CZ 4.12Å; C40-C70 VanDerWaalsContact SG-SG 3.65Å
41I94.4Very high95Very high64 Ų6447.4 Ų47.433%0.32825%0.245SC..EExtended strand (participates in β ladder)trans-117.9133.1-174.1-51.2-178.2000109.6M32 T33 T34M32-I41 HydrophobicContact CB-CG2 3.7Å; M32-I41 HydrophobicContact CG-CG2 4.13Å; M32-I41 HydrophobicContact SD-CG2 4.28Å; T33-I41 WeakPolarHBondContact O-CA 3.4Å; T34-I41 HydrophobicContact CG2-CG1 4.1Å
42F96.4Very high95Very high1 Ų144.2 Ų44.20%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-140.1158.7176.3-54.6-87.5000109.9K21 L22 M32 T33 I35 C40 L47 P66 D67K21-F42 HydrophobicContact CB-CD1 4.44Å; K21-F42 HydrophobicContact CB-CE1 4.14Å; L22-F42 HydrophobicContact CD1-CB 4.42Å; L22-F42 HydrophobicContact CD1-CD1 3.73Å; L22-F42 HydrophobicContact CD1-CE1 4.23Å; L22-F42 HydrophobicContact CD1-CG 4.19Å; L22-F42 HydrophobicContact CG-CD1 3.68Å; L22-F42 HydrophobicContact CG-CE1 3.96Å; M32-F42 CarbonylContact C-O 3.54Å; M32-F42 WeakPolarHBondContact CA-O 3.49Å; T33-F42 PolarHBondContact N-O 3.47Å; T33-F42 PolarHBondContact O-N 2.96Å; I35-F42 HydrophobicContact CD1-CD2 4.23Å; I35-F42 HydrophobicContact CD1-CE2 3.83Å; C40-F42 HydrophobicContact CB-CE2 3.66Å; C40-F42 HydrophobicContact CB-CZ 4.12Å; F42-L47 HydrophobicContact CB-CB 4.37Å; F42-L47 HydrophobicContact CD2-CD1 4.38Å; F42-P66 HydrophobicContact CD2-CG 4.44Å; F42-P66 HydrophobicContact CE1-CB 4.15Å; F42-P66 HydrophobicContact CE1-CG 4.43Å; F42-P66 HydrophobicContact CE2-CB 4.48Å; F42-P66 HydrophobicContact CE2-CG 4.02Å; F42-P66 HydrophobicContact CZ-CB 3.95Å; F42-P66 HydrophobicContact CZ-CG 3.99Å; F42-D67 HydrophobicContact CZ-CB 3.93Å
43C96.7Very high94.9Very high3 Ų347.9 Ų47.92%0.0225%0.25CC..EExtended strand (participates in β ladder)trans-66.4142.1172.173.60000109.7C20 F27 Q31 M32 L45 C46 L47C20-C43 HydrophobicContact CB-CB 4.04Å; C20-C43 PolarHBondContact SG-N 2.88Å; C20-C43 VanDerWaalsContact SG-SG 3.69Å; F27-C43 HydrophobicContact CD1-CB 4.44Å; F27-C43 HydrophobicContact CD2-CB 3.61Å; F27-C43 HydrophobicContact CE2-CB 3.8Å; F27-C43 HydrophobicContact CG-CB 3.95Å; F27-C43 HydrophobicContact CZ-CB 4.3Å; Q31-C43 CarbonylContact O-C 3.54Å; Q31-C43 WeakPolarHBondContact O-CA 3.24Å; M32-C43 WeakPolarHBondContact SD-CA 3.37Å; M32-C43 HydrophobicContact SD-CB 3.85Å; M32-C43 PolarHBondContact SD-N 3.49Å; C43-L45 PolarHBondContact O-N 3.48Å; C43-L45 VanDerWaalsContact O-N 3.15Å; C43-C46 PolarHBondContact O-N 2.77Å; C43-C46 VanDerWaalsContact O-N 3.14Å; C43-C46 PolarHBondContact SG-SG 3.09Å; C43-L47 PolarHBondContact O-N 2.73Å; C43-L47 VanDerWaalsContact O-N 3.12Å
44S95.8Very high94.7Very high44 Ų4447.8 Ų47.831%0.30825%0.248SC..Hα-helixtrans-59.1-32.1-172.3-52.60000112Q31 T33 K48Q31-S44 PolarHBondContact O-N 3.17Å; Q31-S44 PolarHBondContact O-OG 3.15Å; Q31-S44 VanDerWaalsContact O-OG 3.09Å; T33-S44 WeakPolarHBondContact OG1-CB 3.37Å; T33-S44 PolarHBondContact OG1-OG 3.44Å; S44-K48 WeakPolarHBondContact O-CB 3.34Å; S44-K48 PolarHBondContact O-N 3.17Å
45L95.9Very high94.6Very high113 Ų11345.4 Ų45.459%0.59223%0.233SC*.Hα-helixtrans-65.2-49.6177.1-176.465.6000112.4C43 K48 Q49C43-L45 PolarHBondContact O-N 3.48Å; C43-L45 VanDerWaalsContact O-N 3.15Å; L45-K48 PolarHBondContact O-N 3.11Å; L45-Q49 WeakPolarHBondContact O-CG 3.43Å; L45-Q49 PolarHBondContact O-N 3.07Å
46C96.8Very high94.2Very high18 Ų1851.9 Ų51.912%0.12226%0.261CS..Hα-helixtrans-66.2-41.6-179.4-74.50000111.6L22 C23 C43 K48 Q49 Y50L22-C46 HydrophobicContact CB-CB 3.87Å; L22-C46 HydrophobicContact CD1-CB 3.76Å; L22-C46 HydrophobicContact CG-CB 4.48Å; C23-C46 VanDerWaalsContact CB-SG 3.52Å; C23-C46 VanDerWaalsContact SG-SG 3.63Å; C43-C46 PolarHBondContact O-N 2.77Å; C43-C46 VanDerWaalsContact O-N 3.14Å; C43-C46 PolarHBondContact SG-SG 3.09Å; C46-K48 VanDerWaalsContact C-N 3.35Å; C46-Q49 PolarHBondContact O-N 3Å; C46-Y50 WeakPolarHBondContact O-CB 3.46Å; C46-Y50 PolarHBondContact O-N 3.03Å
47L95.8Very high93.8Very high1 Ų153.9 Ų53.91%0.00526%0.264CS..Hα-helixtrans-65.1-41.5179-168.458000111.2T33 I35 F42 C43 Y50 V51 P66 L76 M84T33-L47 HydrophobicContact CG2-CD2 3.97Å; I35-L47 HydrophobicContact CD1-CD1 4.34Å; I35-L47 HydrophobicContact CG1-CD2 4.2Å; F42-L47 HydrophobicContact CB-CB 4.37Å; F42-L47 HydrophobicContact CD2-CD1 4.38Å; C43-L47 PolarHBondContact O-N 2.73Å; C43-L47 VanDerWaalsContact O-N 3.12Å; L47-Y50 HydrophobicContact CD1-CD1 4.3Å; L47-Y50 WeakPolarHBondContact O-CB 3.2Å; L47-Y50 PolarHBondContact O-N 3.22Å; L47-V51 VanDerWaalsContact O-CG2 3.25Å; L47-V51 WeakPolarHBondContact O-CG2 3.47Å; L47-V51 PolarHBondContact O-N 3.38Å; L47-P66 HydrophobicContact CD1-CG 3.77Å; L47-L76 HydrophobicContact CD1-CD2 4.21Å; L47-L76 HydrophobicContact CD2-CD2 4.48Å; L47-L76 HydrophobicContact CG-CD2 4.36Å; L47-M84 HydrophobicContact CD2-CE 3.44Å; L47-M84 VanDerWaalsContact CD2-CE 3.44Å; L47-M84 HydrophobicContact CD2-SD 4.02Å; L47-M84 HydrophobicContact CG-CE 4Å; L47-M84 HydrophobicContact CG-SD 3.88Å
48K95.6Very high93Very high85 Ų8551.3 Ų51.337%0.3726%0.26SS..Hα-helixtrans-58.1-49.9173.5175.1172.8-179.8170.80112.4S44 L45 C46 Y50 V51 E52 M84S44-K48 WeakPolarHBondContact O-CB 3.34Å; S44-K48 PolarHBondContact O-N 3.17Å; L45-K48 PolarHBondContact O-N 3.11Å; C46-K48 VanDerWaalsContact C-N 3.35Å; K48-Y50 VanDerWaalsContact C-N 3.3Å; K48-Y50 PolarHBondContact O-N 3.46Å; K48-V51 PolarHBondContact O-N 2.75Å; K48-E52 WeakPolarHBondContact CE-OE1 3.2Å; K48-E52 HydrophobicContact CG-CG 4.4Å; K48-E52 IonicContact NZ-OE1 3.89Å; K48-E52 WeakPolarHBondContact O-CB 3.41Å; K48-E52 WeakPolarHBondContact O-CG 3.47Å; K48-E52 PolarHBondContact O-N 3.35Å; K48-M84 WeakPolarHBondContact CD-O 3.26Å; K48-M84 WeakPolarHBondContact CE-O 3.49Å; K48-M84 WeakPolarHBondContact CG-O 3.23Å
49Q95.2Very high91.5Very high109 Ų10957.1 Ų57.151%0.50929%0.289SS..Hα-helixtrans-60.7-41.6179.5-74175.8-8.800111.9L45 C46 L53L45-Q49 WeakPolarHBondContact O-CG 3.43Å; L45-Q49 PolarHBondContact O-N 3.07Å; C46-Q49 PolarHBondContact O-N 3Å; Q49-L53 VanDerWaalsContact O-CB 3.29Å; Q49-L53 WeakPolarHBondContact O-CB 3.32Å; Q49-L53 PolarHBondContact O-N 3.16Å
50Y94.4Very high90.3Very high57 Ų5754.6 Ų54.622%0.22428%0.278CS..Hα-helixtrans-60.4-48.6175.8171.7-102.5000112.1C46 L47 K48 L53 L54 I63 S64 P66C46-Y50 WeakPolarHBondContact O-CB 3.46Å; C46-Y50 PolarHBondContact O-N 3.03Å; L47-Y50 HydrophobicContact CD1-CD1 4.3Å; L47-Y50 WeakPolarHBondContact O-CB 3.2Å; L47-Y50 PolarHBondContact O-N 3.22Å; K48-Y50 VanDerWaalsContact C-N 3.3Å; K48-Y50 PolarHBondContact O-N 3.46Å; Y50-L53 PolarHBondContact O-N 2.9Å; Y50-L54 HydrophobicContact CD1-CD1 4.22Å; Y50-L54 HydrophobicContact CD2-CD1 4.26Å; Y50-L54 HydrophobicContact CE1-CD1 3.56Å; Y50-L54 HydrophobicContact CE2-CD1 3.61Å; Y50-L54 HydrophobicContact CE2-CG 4.2Å; Y50-L54 PolarHBondContact O-N 2.82Å; Y50-L54 WeakPolarHBondContact OH-CD1 3.5Å; Y50-I63 HydrophobicContact CD1-CG2 4.39Å; Y50-I63 HydrophobicContact CE1-CG2 3.8Å; Y50-S64 VanDerWaalsContact CE1-O 3.29Å; Y50-S64 WeakPolarHBondContact CE1-O 3.38Å; Y50-S64 PolarHBondContact OH-O 3.37Å; Y50-P66 HydrophobicContact CD1-CG 3.72Å; Y50-P66 HydrophobicContact CE1-CB 4.36Å; Y50-P66 HydrophobicContact CE1-CG 3.68Å; Y50-P66 HydrophobicContact CE2-CB 4.41Å; Y50-P66 HydrophobicContact CG-CG 4.15Å
51V94.2Very high89.5Confident0 Ų054.9 Ų54.90%028%0.279CS..Hα-helixtrans-61.7-48.1178.3171.40000111L47 K48 L53 L54 I55 I63 L76 I81 M84 V85L47-V51 VanDerWaalsContact O-CG2 3.25Å; L47-V51 WeakPolarHBondContact O-CG2 3.47Å; L47-V51 PolarHBondContact O-N 3.38Å; K48-V51 PolarHBondContact O-N 2.75Å; V51-L53 VanDerWaalsContact C-N 3.31Å; V51-L53 PolarHBondContact O-N 3Å; V51-L54 PolarHBondContact O-N 3.24Å; V51-I55 HydrophobicContact CG1-CD1 3.66Å; V51-I55 HydrophobicContact CG1-CG1 4.48Å; V51-I55 VanDerWaalsContact O-CG1 3.27Å; V51-I55 WeakPolarHBondContact O-CG1 3.4Å; V51-I55 PolarHBondContact O-N 3.42Å; V51-I63 HydrophobicContact CB-CD1 4.49Å; V51-I63 HydrophobicContact CG1-CD1 3.8Å; V51-I63 HydrophobicContact CG2-CG2 4.34Å; V51-L76 HydrophobicContact CG2-CD2 3.53Å; V51-I81 HydrophobicContact CG1-CG1 4.35Å; V51-I81 HydrophobicContact CG1-CG2 3.9Å; V51-M84 HydrophobicContact CG2-SD 4.06Å; V51-V85 HydrophobicContact CB-CG1 4.43Å; V51-V85 HydrophobicContact CG1-CG1 3.53Å
52E93.9Very high89.2Confident40 Ų4053.6 Ų53.619%0.18728%0.278CS..Hα-helixtrans-61.4-39.1178.4-73.8-178179.100112.5K48 K56 V85K48-E52 WeakPolarHBondContact CE-OE1 3.2Å; K48-E52 HydrophobicContact CG-CG 4.4Å; K48-E52 IonicContact NZ-OE1 3.89Å; K48-E52 WeakPolarHBondContact O-CB 3.41Å; K48-E52 WeakPolarHBondContact O-CG 3.47Å; K48-E52 PolarHBondContact O-N 3.35Å; E52-K56 WeakPolarHBondContact O-CB 3.49Å; E52-K56 WeakPolarHBondContact O-CD 3.4Å; E52-K56 WeakPolarHBondContact O-CG 3.42Å; E52-K56 PolarHBondContact O-N 3.23Å; E52-V85 HydrophobicContact CG-CG1 3.99Å
53L91.9Very high88.9Confident93 Ų9353.7 Ų53.749%0.48728%0.278SS..Hα-helixtrans-62.7-50.3177.3-177.570.5000110.8Q49 Y50 V51 I55 K56 E57Q49-L53 VanDerWaalsContact O-CB 3.29Å; Q49-L53 WeakPolarHBondContact O-CB 3.32Å; Q49-L53 PolarHBondContact O-N 3.16Å; Y50-L53 PolarHBondContact O-N 2.9Å; V51-L53 VanDerWaalsContact C-N 3.31Å; V51-L53 PolarHBondContact O-N 3Å; L53-I55 VanDerWaalsContact C-N 3.33Å; L53-I55 PolarHBondContact O-N 3.4Å; L53-K56 WeakPolarHBondContact O-CB 2.88Å; L53-K56 PolarHBondContact O-N 3.02Å; L53-K56 VanDerWaalsContact O-N 3.12Å; L53-E57 WeakPolarHBondContact O-CG 3.25Å; L53-E57 PolarHBondContact O-N 3.47Å
54L90.3Very high88.7Confident34 Ų3455 Ų5518%0.17829%0.288CS..Hα-helixtrans-64.9-37.3-178.6-71.8-179.2000112.9Y50 V51 K56 E57 G58 I63Y50-L54 HydrophobicContact CD1-CD1 4.22Å; Y50-L54 HydrophobicContact CD2-CD1 4.26Å; Y50-L54 HydrophobicContact CE1-CD1 3.56Å; Y50-L54 HydrophobicContact CE2-CD1 3.61Å; Y50-L54 HydrophobicContact CE2-CG 4.2Å; Y50-L54 PolarHBondContact O-N 2.82Å; Y50-L54 WeakPolarHBondContact OH-CD1 3.5Å; V51-L54 PolarHBondContact O-N 3.24Å; L54-K56 VanDerWaalsContact C-N 3.32Å; L54-E57 PolarHBondContact O-N 2.97Å; L54-G58 PolarHBondContact O-N 3.44Å; L54-I63 HydrophobicContact CD1-CG2 3.7Å
55I91.8Very high88.6Confident3 Ų353.6 Ų53.62%0.01528%0.278CS..Hα-helixtrans-64.2-40.1174.1-67.2167.6000110.6V51 L53 G58 I63 I81 V85 V89 H92 Y93 L96V51-I55 HydrophobicContact CG1-CD1 3.66Å; V51-I55 HydrophobicContact CG1-CG1 4.48Å; V51-I55 VanDerWaalsContact O-CG1 3.27Å; V51-I55 WeakPolarHBondContact O-CG1 3.4Å; V51-I55 PolarHBondContact O-N 3.42Å; L53-I55 VanDerWaalsContact C-N 3.33Å; L53-I55 PolarHBondContact O-N 3.4Å; I55-G58 PolarHBondContact O-N 2.95Å; I55-I63 HydrophobicContact CD1-CD1 4.04Å; I55-I63 HydrophobicContact CG1-CD1 3.76Å; I55-I81 HydrophobicContact CD1-CG2 3.9Å; I55-V85 HydrophobicContact CD1-CG1 4.05Å; I55-V89 HydrophobicContact CB-CG1 4.09Å; I55-V89 HydrophobicContact CD1-CG1 3.86Å; I55-V89 HydrophobicContact CG2-CG1 3.66Å; I55-H92 HydrophobicContact CG2-CB 4.46Å; I55-H92 PolarHBondContact O-CD2 3.15Å; I55-Y93 HydrophobicContact CD1-CD2 4.28Å; I55-Y93 HydrophobicContact CD1-CG 4.24Å; I55-Y93 HydrophobicContact CG1-CD2 3.86Å; I55-Y93 HydrophobicContact CG1-CG 4.26Å; I55-L96 WeakPolarHBondContact O-CD1 3.42Å
56K88Confident88.5Confident138 Ų13849.5 Ų49.560%0.626%0.258SS*.Hα-helixtrans-69.3-35.7177.5-74.2169.7-174.8170.90113E52 L53 L54E52-K56 WeakPolarHBondContact O-CB 3.49Å; E52-K56 WeakPolarHBondContact O-CD 3.4Å; E52-K56 WeakPolarHBondContact O-CG 3.42Å; E52-K56 PolarHBondContact O-N 3.23Å; L53-K56 WeakPolarHBondContact O-CB 2.88Å; L53-K56 PolarHBondContact O-N 3.02Å; L53-K56 VanDerWaalsContact O-N 3.12Å; L54-K56 VanDerWaalsContact C-N 3.32Å
57E86.1Confident88.2Confident103 Ų10349.6 Ų49.648%0.48126%0.257SS..Hα-helixtrans-72.4-29.9177.1-73-179.7175.700112.2L53 L54 L59L53-E57 WeakPolarHBondContact O-CG 3.25Å; L53-E57 PolarHBondContact O-N 3.47Å; L54-E57 PolarHBondContact O-N 2.97Å; E57-L59 HydrophobicContact CB-CG 4.45Å; E57-L59 PolarHBondContact O-N 3.13Å
58G77.4Confident87.8Confident29 Ų2955.4 Ų55.430%0.29930%0.298SS..  trans66.19.5172.300000115.3L54 I55L54-G58 PolarHBondContact O-N 3.44Å; I55-G58 PolarHBondContact O-N 2.95Å
59L63.1Low87.4Confident130 Ų13056.5 Ų56.568%0.68131%0.312SS*.SBendtrans-75.2-25.1-176.2-67173.5000113.2E57E57-L59 HydrophobicContact CB-CG 4.45Å; E57-L59 PolarHBondContact O-N 3.13Å
60E69.4Low87.1Confident64 Ų6451.7 Ų51.730%0.29929%0.29SS..  trans-143.6126.9-179.2-177.6163-117.600111.2A62 K209E60-A62 VanDerWaalsContact C-N 3.34Å; E60-A62 HydrophobicContact CG-CB 4.43Å; E60-A62 WeakPolarHBondContact CG-O 3.16Å; E60-K209 IonicContact OE1-NZ 2.6Å
61T77.5Confident86.7Confident23 Ų2354.8 Ų54.814%0.14132%0.317CS..SBendtrans-85.9-4.717867.10000113.9Y93 L96 R100T61-Y93 VanDerWaalsContact O-CE2 3.31Å; T61-Y93 WeakPolarHBondContact O-CE2 3.48Å; T61-Y93 PolarHBondContact O-OH 3.02Å; T61-L96 HydrophobicContact CG2-CB 4.21Å; T61-L96 WeakPolarHBondContact CG2-O 3.29Å; T61-R100 HydrophobicContact CG2-CB 3.88Å; T61-R100 HydrophobicContact CG2-CG 4.38Å; T61-R100 WeakPolarHBondContact OG1-CD 3.39Å; T61-R100 PolarHBondContact OG1-NH1 2.8Å
62A86.5Confident86.5Confident38 Ų3861.2 Ų61.231%0.31435%0.345SS..SBendtrans-116.395.717900000108.6E60 S64E60-A62 VanDerWaalsContact C-N 3.34Å; E60-A62 HydrophobicContact CG-CB 4.43Å; E60-A62 WeakPolarHBondContact CG-O 3.16Å; A62-S64 PolarHBondContact O-N 3.17Å; A62-S64 VanDerWaalsContact O-N 3.13Å
63I90.9Very high86.3Confident2 Ų266.7 Ų66.71%0.0137%0.371CS..  trans-71.1112.3-172.4-54.6-175000109.4Y50 V51 L54 I55 H75 L76 I81 Y93Y50-I63 HydrophobicContact CD1-CG2 4.39Å; Y50-I63 HydrophobicContact CE1-CG2 3.8Å; V51-I63 HydrophobicContact CB-CD1 4.49Å; V51-I63 HydrophobicContact CG1-CD1 3.8Å; V51-I63 HydrophobicContact CG2-CG2 4.34Å; L54-I63 HydrophobicContact CD1-CG2 3.7Å; I55-I63 HydrophobicContact CD1-CD1 4.04Å; I55-I63 HydrophobicContact CG1-CD1 3.76Å; I63-H75 CarbonylContact O-C 3.55Å; I63-H75 VanDerWaalsContact O-CA 3.29Å; I63-H75 WeakPolarHBondContact O-CA 3.32Å; I63-H75 WeakPolarHBondContact O-CB 3.42Å; I63-L76 HydrophobicContact CB-CB 4.44Å; I63-L76 HydrophobicContact CB-CD1 4.42Å; I63-L76 HydrophobicContact CG2-CD1 3.87Å; I63-L76 PolarHBondContact O-N 2.96Å; I63-I81 HydrophobicContact CB-CD1 4.42Å; I63-I81 HydrophobicContact CD1-CD1 3.75Å; I63-I81 HydrophobicContact CD1-CG1 4.18Å; I63-I81 HydrophobicContact CG1-CD1 4.16Å; I63-Y93 HydrophobicContact CD1-CE2 4.16Å; I63-Y93 HydrophobicContact CG1-CE2 4.16Å
64S92.1Very high86.2Confident32 Ų3262.4 Ų62.422%0.22435%0.349CS..BIsolated β-bridgetrans-78.7160.4-177.4-600000112.3Y50 A62 H75Y50-S64 VanDerWaalsContact CE1-O 3.29Å; Y50-S64 WeakPolarHBondContact CE1-O 3.38Å; Y50-S64 PolarHBondContact OH-O 3.37Å; A62-S64 PolarHBondContact O-N 3.17Å; A62-S64 VanDerWaalsContact O-N 3.13Å; S64-H75 PolarHBondContact OG-CE1 3.39Å; S64-H75 VanDerWaalsContact OG-CE1 3.28Å; S64-H75 PolarHBondContact OG-ND1 3.18Å
65C94.3Very high86.3Confident14 Ų1464 Ų6410%0.09536%0.355CS..  trans-59135.4172.7-179.30000110.6I35 C38 D67 C70 G74I35-C65 HydrophobicContact CD1-CB 4.25Å; C38-C65 VanDerWaalsContact SG-SG 3.67Å; C65-D67 PolarHBondContact O-N 3.04Å; C65-D67 PolarHBondContact SG-N 3.39Å; C65-C70 HydrophobicContact CB-CB 4.33Å; C65-G74 VanDerWaalsContact CB-O 3.23Å; C65-G74 WeakPolarHBondContact CB-O 3.44Å; C65-G74 PolarHBondContact N-O 3.12Å
66P93.4Very high86.4Confident26 Ų2664.3 Ų64.317%0.16936%0.357CS..SBendtrans-64.9-19.9177.7-17.125.9000114.6L22 F42 L47 Y50 S68L22-P66 HydrophobicContact CD1-CB 4Å; L22-P66 HydrophobicContact CD1-CG 4.17Å; L22-P66 HydrophobicContact CD2-CB 3.88Å; L22-P66 HydrophobicContact CG-CB 4.34Å; F42-P66 HydrophobicContact CD2-CG 4.44Å; F42-P66 HydrophobicContact CE1-CB 4.15Å; F42-P66 HydrophobicContact CE1-CG 4.43Å; F42-P66 HydrophobicContact CE2-CB 4.48Å; F42-P66 HydrophobicContact CE2-CG 4.02Å; F42-P66 HydrophobicContact CZ-CB 3.95Å; F42-P66 HydrophobicContact CZ-CG 3.99Å; L47-P66 HydrophobicContact CD1-CG 3.77Å; Y50-P66 HydrophobicContact CD1-CG 3.72Å; Y50-P66 HydrophobicContact CE1-CB 4.36Å; Y50-P66 HydrophobicContact CE1-CG 3.68Å; Y50-P66 HydrophobicContact CE2-CB 4.41Å; Y50-P66 HydrophobicContact CG-CG 4.15Å; P66-S68 PolarHBondContact O-N 3.47Å
67D91.4Very high86.7Confident20 Ų2060.8 Ų60.811%0.10734%0.344CS..  trans-80.5110.2-179.9-172-14.7000110.2K21 F42 C65 T69 C70K21-D67 IonicContact NZ-OD2 2.71Å; K21-D67 PolarHBondContact NZ-OD2 3.28Å; F42-D67 HydrophobicContact CZ-CB 3.93Å; C65-D67 PolarHBondContact O-N 3.04Å; C65-D67 PolarHBondContact SG-N 3.39Å; D67-T69 PolarHBondContact O-N 2.93Å; D67-T69 WeakPolarHBondContact OD1-CA 3.45Å; D67-T69 WeakPolarHBondContact OD1-CB 3.42Å; D67-T69 PolarHBondContact OD1-N 2.94Å; D67-T69 PolarHBondContact OD1-OG1 3.44Å; D67-C70 HydrophobicContact CB-CB 4.14Å; D67-C70 WeakPolarHBondContact O-CB 3.49Å; D67-C70 PolarHBondContact O-N 2.92Å; D67-C70 PolarHBondContact OD1-N 3.15Å
68S85.6Confident87Confident124 Ų12459.9 Ų59.987%0.86734%0.34SS*.THydrogen-bonded Turntrans-65-18.7177.158.80000113.5P66P66-S68 PolarHBondContact O-N 3.47Å
69T87.5Confident87.8Confident108 Ų10863.1 Ų63.166%0.66335%0.35SS*.THydrogen-bonded Turntrans-99.310.3175.865.40000112.6D67 P71D67-T69 PolarHBondContact O-N 2.93Å; D67-T69 WeakPolarHBondContact OD1-CA 3.45Å; D67-T69 WeakPolarHBondContact OD1-CB 3.42Å; D67-T69 PolarHBondContact OD1-N 2.94Å; D67-T69 PolarHBondContact OD1-OG1 3.44Å; T69-P71 WeakPolarHBondContact O-CD 3.46Å; T69-P71 VanDerWaalsContact O-N 3.14Å
70C90Very high89.3Confident7 Ų757.9 Ų57.95%0.04732%0.322CS..  trans-57.7116.5178.5-176.30000110.9C38 C40 C65 D67 K72 Q73C38-C70 WeakPolarHBondContact CB-SG 3.47Å; C40-C70 VanDerWaalsContact SG-SG 3.65Å; C65-C70 HydrophobicContact CB-CB 4.33Å; D67-C70 HydrophobicContact CB-CB 4.14Å; D67-C70 WeakPolarHBondContact O-CB 3.49Å; D67-C70 PolarHBondContact O-N 2.92Å; D67-C70 PolarHBondContact OD1-N 3.15Å; C70-K72 PolarHBondContact O-N 2.8Å; C70-Q73 PolarHBondContact O-N 2.96Å; C70-Q73 PolarHBondContact SG-N 2.87Å
71P86.3Confident90.5Very high123 Ų12354.8 Ų54.880%0.79931%0.308SS*.THydrogen-bonded Turntrans-67.5-26.8-174.926.2-34.5000112.7T69T69-P71 WeakPolarHBondContact O-CD 3.46Å; T69-P71 VanDerWaalsContact O-N 3.14Å
72K89.6Confident91.3Very high135 Ų13558.8 Ų58.859%0.58733%0.325SS*.THydrogen-bonded Turntrans-94.8-9.6-178.8-69.7177.6172.4-177.70113.4Q37 C38 C70 G74Q37-K72 WeakPolarHBondContact O-CD 3.44Å; C38-K72 HydrophobicContact CB-CB 3.97Å; C70-K72 PolarHBondContact O-N 2.8Å; K72-G74 PolarHBondContact O-N 3.48Å; K72-G74 VanDerWaalsContact O-N 3.1Å
73Q88.9Confident91.5Very high155 Ų15562.7 Ų62.772%0.72435%0.348SS*.  trans44.144.7-175.3-61.5179.4-15.600112.3C70C70-Q73 PolarHBondContact O-N 2.96Å; C70-Q73 PolarHBondContact SG-N 2.87Å
74G89.7Confident91.6Very high2 Ų263.7 Ų63.72%0.02135%0.353CS..  trans-69.1159.4-172.400000112.5C65 K72C65-G74 VanDerWaalsContact CB-O 3.23Å; C65-G74 WeakPolarHBondContact CB-O 3.44Å; C65-G74 PolarHBondContact N-O 3.12Å; K72-G74 PolarHBondContact O-N 3.48Å; K72-G74 VanDerWaalsContact O-N 3.1Å
75H93.1Very high91.7Very high69 Ų6962.9 Ų62.932%0.31935%0.347SS..BIsolated β-bridgetrans-112.3155.6172.6-58.8-87.2000110.6Q37 I63 S64Q37-H75 VanDerWaalsContact CG-O 3.29Å; Q37-H75 WeakPolarHBondContact CG-O 3.29Å; Q37-H75 PolarHBondContact NE2-O 2.94Å; Q37-H75 PolarHBondContact OE1-O 3.22Å; I63-H75 CarbonylContact O-C 3.55Å; I63-H75 VanDerWaalsContact O-CA 3.29Å; I63-H75 WeakPolarHBondContact O-CA 3.32Å; I63-H75 WeakPolarHBondContact O-CB 3.42Å; S64-H75 PolarHBondContact OG-CE1 3.39Å; S64-H75 VanDerWaalsContact OG-CE1 3.28Å; S64-H75 PolarHBondContact OG-ND1 3.18Å
76L94.1Very high91.6Very high8 Ų864.8 Ų64.84%0.04236%0.364CS..  trans-74.9135.3171-73.385.2000109.8I35 L47 V51 I63 I81 M84I35-L76 HydrophobicContact CD1-CD1 4.02Å; I35-L76 HydrophobicContact CD1-CG 4.4Å; I35-L76 HydrophobicContact CG1-CG 4.42Å; I35-L76 HydrophobicContact CG2-CG 4.44Å; L47-L76 HydrophobicContact CD1-CD2 4.21Å; L47-L76 HydrophobicContact CD2-CD2 4.48Å; L47-L76 HydrophobicContact CG-CD2 4.36Å; V51-L76 HydrophobicContact CG2-CD2 3.53Å; I63-L76 HydrophobicContact CB-CB 4.44Å; I63-L76 HydrophobicContact CB-CD1 4.42Å; I63-L76 HydrophobicContact CG2-CD1 3.87Å; I63-L76 PolarHBondContact O-N 2.96Å; L76-I81 HydrophobicContact CB-CD1 4.19Å; L76-I81 HydrophobicContact CB-CG1 3.96Å; L76-I81 HydrophobicContact CD2-CG1 4.49Å; L76-M84 HydrophobicContact CD2-CE 4.31Å; L76-M84 HydrophobicContact CD2-SD 4.05Å
77L94.1Very high91.6Very high64 Ų6466 Ų6634%0.33538%0.382SS..  trans-79.2157.1175.9-62.4172000111Q37 N79 E80 I81Q37-L77 HydrophobicContact CG-CD2 4.35Å; Q37-L77 HydrophobicContact CG-CG 4.4Å; L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 WeakPolarHBondContact CB-OD1 3.49Å; L77-N79 PolarHBondContact O-N 3.43Å; L77-E80 HydrophobicContact CB-CG 4.15Å; L77-E80 PolarHBondContact N-OE2 2.99Å; L77-E80 WeakPolarHBondContact O-CB 3.25Å; L77-E80 PolarHBondContact O-N 2.95Å; L77-I81 WeakPolarHBondContact O-CG1 3.02Å; L77-I81 PolarHBondContact O-N 3.2Å
78E92.9Very high91.7Very high85 Ų8572.8 Ų72.840%0.39741%0.412SS..Hα-helixtrans-58.4-41-178.6-170.7-178.7164.800112.6E80 I81 E82 M90 K94E78-E80 VanDerWaalsContact C-N 3.31Å; E78-E80 PolarHBondContact O-N 3.44Å; E78-I81 PolarHBondContact O-N 3.05Å; E78-E82 WeakPolarHBondContact O-CB 3.33Å; E78-E82 PolarHBondContact O-N 3.2Å; E78-M90 HydrophobicContact CG-CE 3.37Å; E78-K94 WeakPolarHBondContact OE1-CE 3.39Å; E78-K94 IonicContact OE1-NZ 3.41Å; E78-K94 PolarHBondContact OE1-NZ 2.9Å
79N93.6Very high92Very high97 Ų9768.2 Ų68.252%0.51938%0.379SS..Hα-helixtrans-66.7-31.1176.664.7-43.9000113L77 C83L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 WeakPolarHBondContact CB-OD1 3.49Å; L77-N79 PolarHBondContact O-N 3.43Å; N79-C83 PolarHBondContact O-N 2.97Å; N79-C83 PolarHBondContact O-SG 3.37Å; N79-C83 VanDerWaalsContact O-SG 3.35Å
80E94.3Very high92.3Very high19 Ų1963.5 Ų63.59%0.08935%0.35CS..Hα-helixtrans-70.3-42.4174.4-64175.7136.500110.3S36 L77 E78 C83 M84S36-E80 WeakPolarHBondContact CB-OE1 3.4Å; S36-E80 PolarHBondContact N-OE1 2.88Å; S36-E80 PolarHBondContact OG-OE1 3.17Å; L77-E80 HydrophobicContact CB-CG 4.15Å; L77-E80 PolarHBondContact N-OE2 2.99Å; L77-E80 WeakPolarHBondContact O-CB 3.25Å; L77-E80 PolarHBondContact O-N 2.95Å; E78-E80 VanDerWaalsContact C-N 3.31Å; E78-E80 PolarHBondContact O-N 3.44Å; E80-C83 PolarHBondContact O-N 3.47Å; E80-M84 HydrophobicContact CB-CE 4.44Å; E80-M84 VanDerWaalsContact O-CG 3.29Å; E80-M84 WeakPolarHBondContact O-CG 3.36Å; E80-M84 PolarHBondContact O-N 2.94Å
81I94.1Very high92.4Very high0 Ų069.7 Ų69.70%038%0.378CS..Hα-helixtrans-64-46.4177.5-64.7165.1000110.5V51 I55 I63 L76 L77 E78 C83 M84 V85 M90 Y93V51-I81 HydrophobicContact CG1-CG1 4.35Å; V51-I81 HydrophobicContact CG1-CG2 3.9Å; I55-I81 HydrophobicContact CD1-CG2 3.9Å; I63-I81 HydrophobicContact CB-CD1 4.42Å; I63-I81 HydrophobicContact CD1-CD1 3.75Å; I63-I81 HydrophobicContact CD1-CG1 4.18Å; I63-I81 HydrophobicContact CG1-CD1 4.16Å; L76-I81 HydrophobicContact CB-CD1 4.19Å; L76-I81 HydrophobicContact CB-CG1 3.96Å; L76-I81 HydrophobicContact CD2-CG1 4.49Å; L77-I81 WeakPolarHBondContact O-CG1 3.02Å; L77-I81 PolarHBondContact O-N 3.2Å; E78-I81 PolarHBondContact O-N 3.05Å; I81-C83 VanDerWaalsContact C-N 3.26Å; I81-C83 PolarHBondContact O-N 3.42Å; I81-M84 PolarHBondContact O-N 3.16Å; I81-V85 HydrophobicContact CG2-CG1 4.4Å; I81-V85 HydrophobicContact CG2-CG2 4.22Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 3.41Å; I81-V85 VanDerWaalsContact O-N 3.09Å; I81-M90 HydrophobicContact CG2-SD 3.95Å; I81-Y93 HydrophobicContact CD1-CE1 3.77Å; I81-Y93 HydrophobicContact CD1-CE2 4.31Å; I81-Y93 WeakPolarHBondContact CD1-OH 3.4Å; I81-Y93 HydrophobicContact CG2-CD1 4.27Å; I81-Y93 HydrophobicContact CG2-CE1 4.4Å
82E94.1Very high92.6Very high107 Ų10767.1 Ų67.150%0.536%0.355SS..Hα-helixtrans-58.1-36.8-179.6-173.8167.9-144.900112.5E78 M84 M90E78-E82 WeakPolarHBondContact O-CB 3.33Å; E78-E82 PolarHBondContact O-N 3.2Å; E82-M84 VanDerWaalsContact C-N 3.31Å; E82-M84 PolarHBondContact O-N 3.45Å; E82-M90 HydrophobicContact CB-CE 3.94Å; E82-M90 HydrophobicContact CB-SD 4.16Å; E82-M90 HydrophobicContact CG-CG 4.43Å
83C91.8Very high92.8Very high119 Ų11961.1 Ų61.180%0.80433%0.329SS*.Hα-helixtrans-71.9-22.5175.4-72.40000113.7N79 E80 I81N79-C83 PolarHBondContact O-N 2.97Å; N79-C83 PolarHBondContact O-SG 3.37Å; N79-C83 VanDerWaalsContact O-SG 3.35Å; E80-C83 PolarHBondContact O-N 3.47Å; I81-C83 VanDerWaalsContact C-N 3.26Å; I81-C83 PolarHBondContact O-N 3.42Å
84M92.4Very high92.8Very high23 Ų2358 Ų5811%0.11331%0.313CS..Hα-helixtrans-93.3-31.4-175-69174.2-167.800113.2T33 L47 K48 V51 L76 E80 I81 E82T33-M84 HydrophobicContact CG2-CE 3.44Å; T33-M84 VanDerWaalsContact CG2-CE 3.44Å; L47-M84 HydrophobicContact CD2-CE 3.44Å; L47-M84 VanDerWaalsContact CD2-CE 3.44Å; L47-M84 HydrophobicContact CD2-SD 4.02Å; L47-M84 HydrophobicContact CG-CE 4Å; L47-M84 HydrophobicContact CG-SD 3.88Å; K48-M84 WeakPolarHBondContact CD-O 3.26Å; K48-M84 WeakPolarHBondContact CE-O 3.49Å; K48-M84 WeakPolarHBondContact CG-O 3.23Å; V51-M84 HydrophobicContact CG2-SD 4.06Å; L76-M84 HydrophobicContact CD2-CE 4.31Å; L76-M84 HydrophobicContact CD2-SD 4.05Å; E80-M84 HydrophobicContact CB-CE 4.44Å; E80-M84 VanDerWaalsContact O-CG 3.29Å; E80-M84 WeakPolarHBondContact O-CG 3.36Å; E80-M84 PolarHBondContact O-N 2.94Å; I81-M84 PolarHBondContact O-N 3.16Å; E82-M84 VanDerWaalsContact C-N 3.31Å; E82-M84 PolarHBondContact O-N 3.45Å
85V93.8Very high92.8Very high15 Ų1564.3 Ų64.39%0.09134%0.336CS..SBendtrans-109.5157.6-170.6-52.50000112.9V51 E52 I55 I81 V89 M90V51-V85 HydrophobicContact CB-CG1 4.43Å; V51-V85 HydrophobicContact CG1-CG1 3.53Å; E52-V85 HydrophobicContact CG-CG1 3.99Å; I55-V85 HydrophobicContact CD1-CG1 4.05Å; I81-V85 HydrophobicContact CG2-CG1 4.4Å; I81-V85 HydrophobicContact CG2-CG2 4.22Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 3.41Å; I81-V85 VanDerWaalsContact O-N 3.09Å; V85-V89 HydrophobicContact CB-CB 4.01Å; V85-V89 HydrophobicContact CB-CG1 3.89Å; V85-V89 HydrophobicContact CG1-CG1 4.15Å; V85-V89 HydrophobicContact CG2-CB 4.2Å; V85-V89 HydrophobicContact CG2-CG1 4.17Å; V85-M90 HydrophobicContact CG2-CB 3.86Å; V85-M90 HydrophobicContact CG2-SD 4.23Å
86A94.1Very high92.5Very high55 Ų5562.2 Ų62.246%0.45533%0.327SS..  trans-69.2155.6172.300000111.5E88 V89 M90A86-E88 VanDerWaalsContact C-N 3.26Å; A86-E88 PolarHBondContact O-N 3.39Å; A86-E88 VanDerWaalsContact O-N 3.16Å; A86-V89 PolarHBondContact O-N 3.37Å; A86-M90 PolarHBondContact O-N 2.9Å
87G92.8Very high92.3Very high52 Ų5264 Ų6454%0.53634%0.335SS..Hα-helixtrans-54.8-36.9-178.200000114.3M90 Q91G87-M90 PolarHBondContact O-N 2.85Å; G87-Q91 VanDerWaalsContact O-CG 3.32Å; G87-Q91 WeakPolarHBondContact O-CG 3.12Å; G87-Q91 PolarHBondContact O-N 3.13Å
88E92.8Very high91.9Very high161 Ų16164.9 Ų64.975%0.75234%0.337SS*.Hα-helixtrans-63.9-42.4176.1-64.1-179.4177.500112.4A86 Q91 H92A86-E88 VanDerWaalsContact C-N 3.26Å; A86-E88 PolarHBondContact O-N 3.39Å; A86-E88 VanDerWaalsContact O-N 3.16Å; E88-Q91 PolarHBondContact O-N 2.92Å; E88-H92 PolarHBondContact O-N 2.83Å
89V92.1Very high91.5Very high28 Ų2864 Ų6417%0.1733%0.333CS..Hα-helixtrans-68-39.3177179.50000110.1I55 V85 A86 H92 Y93I55-V89 HydrophobicContact CB-CG1 4.09Å; I55-V89 HydrophobicContact CD1-CG1 3.86Å; I55-V89 HydrophobicContact CG2-CG1 3.66Å; V85-V89 HydrophobicContact CB-CB 4.01Å; V85-V89 HydrophobicContact CB-CG1 3.89Å; V85-V89 HydrophobicContact CG1-CG1 4.15Å; V85-V89 HydrophobicContact CG2-CB 4.2Å; V85-V89 HydrophobicContact CG2-CG1 4.17Å; A86-V89 PolarHBondContact O-N 3.37Å; V89-H92 WeakPolarHBondContact O-CB 3.45Å; V89-H92 PolarHBondContact O-N 2.94Å; V89-Y93 PolarHBondContact O-N 3Å
90M94.2Very high90.9Very high9 Ų961.4 Ų61.44%0.04432%0.315CS..Hα-helixtrans-63.8-40.9175.3-169.560.2-175.900112.1E78 I81 E82 V85 A86 G87 H92 Y93 K94E78-M90 HydrophobicContact CG-CE 3.37Å; I81-M90 HydrophobicContact CG2-SD 3.95Å; E82-M90 HydrophobicContact CB-CE 3.94Å; E82-M90 HydrophobicContact CB-SD 4.16Å; E82-M90 HydrophobicContact CG-CG 4.43Å; V85-M90 HydrophobicContact CG2-CB 3.86Å; V85-M90 HydrophobicContact CG2-SD 4.23Å; A86-M90 PolarHBondContact O-N 2.9Å; G87-M90 PolarHBondContact O-N 2.85Å; M90-H92 VanDerWaalsContact C-N 3.3Å; M90-H92 PolarHBondContact O-N 3.07Å; M90-Y93 HydrophobicContact CE-CD1 4.1Å; M90-Y93 WeakPolarHBondContact O-CB 3.45Å; M90-Y93 PolarHBondContact O-N 3.35Å; M90-Y93 HydrophobicContact SD-CD1 4.02Å; M90-K94 HydrophobicContact CE-CG 4.44Å; M90-K94 WeakPolarHBondContact O-CG 3.03Å; M90-K94 PolarHBondContact O-N 2.73Å
91Q92.1Very high90.5Very high137 Ų13765.8 Ų65.864%0.6434%0.336SS*.Hα-helixtrans-62.5-39.2174.2-75.6176.8-1.500111.8G87 E88 K94 R95G87-Q91 VanDerWaalsContact O-CG 3.32Å; G87-Q91 WeakPolarHBondContact O-CG 3.12Å; G87-Q91 PolarHBondContact O-N 3.13Å; E88-Q91 PolarHBondContact O-N 2.92Å; Q91-K94 PolarHBondContact O-N 2.91Å; Q91-R95 PolarHBondContact O-N 3.28Å
92H90.9Very high90Very high70 Ų7065.9 Ų65.932%0.32434%0.337SS..Hα-helixtrans-62.8-46173.9-170.859.4000111.6I55 E88 V89 M90 K94 R95 L96I55-H92 HydrophobicContact CG2-CB 4.46Å; I55-H92 PolarHBondContact O-CD2 3.15Å; E88-H92 PolarHBondContact O-N 2.83Å; V89-H92 WeakPolarHBondContact O-CB 3.45Å; V89-H92 PolarHBondContact O-N 2.94Å; M90-H92 VanDerWaalsContact C-N 3.3Å; M90-H92 PolarHBondContact O-N 3.07Å; H92-K94 PolarHBondContact O-N 3.35Å; H92-R95 WeakPolarHBondContact O-CB 3.41Å; H92-R95 PolarHBondContact O-N 3.41Å; H92-R95 VanDerWaalsContact O-N 3.15Å; H92-L96 WeakPolarHBondContact O-CG 3.16Å; H92-L96 PolarHBondContact O-N 2.9Å
93Y92.4Very high89.2Confident9 Ų963.8 Ų63.84%0.03533%0.328CS..Hα-helixtrans-57.7-46.2175.6177.9-114.9000112.7I55 T61 I63 I81 V89 M90 R95 L96 Q97I55-Y93 HydrophobicContact CD1-CD2 4.28Å; I55-Y93 HydrophobicContact CD1-CG 4.24Å; I55-Y93 HydrophobicContact CG1-CD2 3.86Å; I55-Y93 HydrophobicContact CG1-CG 4.26Å; T61-Y93 VanDerWaalsContact O-CE2 3.31Å; T61-Y93 WeakPolarHBondContact O-CE2 3.48Å; T61-Y93 PolarHBondContact O-OH 3.02Å; I63-Y93 HydrophobicContact CD1-CE2 4.16Å; I63-Y93 HydrophobicContact CG1-CE2 4.16Å; I81-Y93 HydrophobicContact CD1-CE1 3.77Å; I81-Y93 HydrophobicContact CD1-CE2 4.31Å; I81-Y93 WeakPolarHBondContact CD1-OH 3.4Å; I81-Y93 HydrophobicContact CG2-CD1 4.27Å; I81-Y93 HydrophobicContact CG2-CE1 4.4Å; V89-Y93 PolarHBondContact O-N 3Å; M90-Y93 HydrophobicContact CE-CD1 4.1Å; M90-Y93 WeakPolarHBondContact O-CB 3.45Å; M90-Y93 PolarHBondContact O-N 3.35Å; M90-Y93 HydrophobicContact SD-CD1 4.02Å; Y93-R95 VanDerWaalsContact C-N 3.31Å; Y93-R95 PolarHBondContact O-N 3.01Å; Y93-L96 PolarHBondContact O-N 2.94Å; Y93-Q97 HydrophobicContact CE1-CG 4.38Å; Y93-Q97 VanDerWaalsContact CE1-NE2 3.27Å; Y93-Q97 HydrophobicContact CE2-CG 4.3Å; Y93-Q97 PolarHBondContact O-N 3.4Å; Y93-Q97 PolarHBondContact OH-NE2 3.06Å
94K90.8Very high88.4Confident88 Ų8862.2 Ų62.238%0.38331%0.312SS..Hα-helixtrans-61.1-38.6175.6-72.8-176.7177.1-171.60112.4E78 M90 Q91 H92 Q97 F98E78-K94 WeakPolarHBondContact OE1-CE 3.39Å; E78-K94 IonicContact OE1-NZ 3.41Å; E78-K94 PolarHBondContact OE1-NZ 2.9Å; M90-K94 HydrophobicContact CE-CG 4.44Å; M90-K94 WeakPolarHBondContact O-CG 3.03Å; M90-K94 PolarHBondContact O-N 2.73Å; Q91-K94 PolarHBondContact O-N 2.91Å; H92-K94 PolarHBondContact O-N 3.35Å; K94-Q97 PolarHBondContact O-N 3.41Å; K94-F98 WeakPolarHBondContact O-CB 3.22Å; K94-F98 PolarHBondContact O-N 2.82Å
95R88.7Confident87.9Confident135 Ų13563.4 Ų63.451%0.50932%0.319SS..Hα-helixtrans-63.3-46.8174.7-173-175.7-56.6172.63.4111.3Q91 H92 Y93 Q97 F98 E99Q91-R95 PolarHBondContact O-N 3.28Å; H92-R95 WeakPolarHBondContact O-CB 3.41Å; H92-R95 PolarHBondContact O-N 3.41Å; H92-R95 VanDerWaalsContact O-N 3.15Å; Y93-R95 VanDerWaalsContact C-N 3.31Å; Y93-R95 PolarHBondContact O-N 3.01Å; R95-Q97 VanDerWaalsContact C-N 3.31Å; R95-Q97 PolarHBondContact O-N 3.49Å; R95-F98 PolarHBondContact O-N 3.25Å; R95-E99 WeakPolarHBondContact CD-OE1 3.49Å; R95-E99 HydrophobicContact CG-CG 4.38Å; R95-E99 WeakPolarHBondContact CG-OE1 3.33Å; R95-E99 WeakPolarHBondContact O-CB 3.27Å; R95-E99 WeakPolarHBondContact O-CG 3.17Å; R95-E99 PolarHBondContact O-N 3.24Å
96L87.4Confident87.1Confident26 Ų2666.9 Ų66.914%0.13634%0.341CS..Hα-helixtrans-60.1-41.4177.1-69.4170.2000111.8I55 T61 H92 Y93 E99 R100I55-L96 WeakPolarHBondContact O-CD1 3.42Å; T61-L96 HydrophobicContact CG2-CB 4.21Å; T61-L96 WeakPolarHBondContact CG2-O 3.29Å; H92-L96 WeakPolarHBondContact O-CG 3.16Å; H92-L96 PolarHBondContact O-N 2.9Å; Y93-L96 PolarHBondContact O-N 2.94Å; L96-E99 PolarHBondContact O-N 3.02Å; L96-R100 WeakPolarHBondContact O-CB 3.37Å; L96-R100 PolarHBondContact O-N 3.41Å
97Q88.4Confident86.5Confident44 Ų4465.1 Ų65.121%0.20633%0.326CS..Hα-helixtrans-60.9-49.9174-75.3-173.2-26.700111.8Y93 K94 R95 E99 R100 E101Y93-Q97 HydrophobicContact CE1-CG 4.38Å; Y93-Q97 VanDerWaalsContact CE1-NE2 3.27Å; Y93-Q97 HydrophobicContact CE2-CG 4.3Å; Y93-Q97 PolarHBondContact O-N 3.4Å; Y93-Q97 PolarHBondContact OH-NE2 3.06Å; K94-Q97 PolarHBondContact O-N 3.41Å; R95-Q97 VanDerWaalsContact C-N 3.31Å; R95-Q97 PolarHBondContact O-N 3.49Å; Q97-E99 VanDerWaalsContact C-N 3.35Å; Q97-E99 PolarHBondContact O-N 3.28Å; Q97-R100 WeakPolarHBondContact O-CB 3.2Å; Q97-R100 PolarHBondContact O-N 3.09Å; Q97-E101 WeakPolarHBondContact O-CG 3.33Å; Q97-E101 PolarHBondContact O-N 2.88Å
98F87.5Confident86.1Confident84 Ų8466.7 Ų66.737%0.36832%0.315SS..Hα-helixtrans-60.2-43.8177.3179-106.3000112.1K94 R95 R100 E101 V102 W110 V119K94-F98 WeakPolarHBondContact O-CB 3.22Å; K94-F98 PolarHBondContact O-N 2.82Å; R95-F98 PolarHBondContact O-N 3.25Å; F98-R100 VanDerWaalsContact C-N 3.28Å; F98-R100 PolarHBondContact O-N 3.46Å; F98-E101 PolarHBondContact O-N 3.35Å; F98-V102 HydrophobicContact CD1-CG2 4.25Å; F98-V102 HydrophobicContact CD2-CG2 4.36Å; F98-V102 HydrophobicContact CE1-CG2 3.9Å; F98-V102 HydrophobicContact CE2-CG2 4.01Å; F98-V102 HydrophobicContact CG-CG2 4.48Å; F98-V102 HydrophobicContact CZ-CG2 3.78Å; F98-V102 VanDerWaalsContact O-CG2 3.25Å; F98-V102 WeakPolarHBondContact O-CG2 3.4Å; F98-V102 PolarHBondContact O-N 3.28Å; F98-W110 AromaticContact CD1-CH2 3.92Å; F98-W110 HydrophobicContact CD1-CH2 3.92Å; F98-W110 HydrophobicContact CD1-CZ2 4.34Å; F98-W110 AromaticContact CE1-CH2 3.64Å; F98-W110 HydrophobicContact CE1-CH2 3.64Å; F98-W110 HydrophobicContact CE1-CZ2 4.21Å; F98-V119 HydrophobicContact CE1-CG2 3.6Å; F98-V119 HydrophobicContact CZ-CB 4.41Å; F98-V119 HydrophobicContact CZ-CG2 3.65Å
99E83.9Confident85.7Confident67 Ų6759.5 Ų59.531%0.31328%0.283SS..Hα-helixtrans-58.1-42.4175.6-75.6175-167.200112.1R95 L96 Q97 L103 W110R95-E99 WeakPolarHBondContact CD-OE1 3.49Å; R95-E99 HydrophobicContact CG-CG 4.38Å; R95-E99 WeakPolarHBondContact CG-OE1 3.33Å; R95-E99 WeakPolarHBondContact O-CB 3.27Å; R95-E99 WeakPolarHBondContact O-CG 3.17Å; R95-E99 PolarHBondContact O-N 3.24Å; L96-E99 PolarHBondContact O-N 3.02Å; Q97-E99 VanDerWaalsContact C-N 3.35Å; Q97-E99 PolarHBondContact O-N 3.28Å; E99-L103 VanDerWaalsContact O-CG 3.25Å; E99-L103 WeakPolarHBondContact O-CG 3.01Å; E99-L103 PolarHBondContact O-N 3.04Å; E99-W110 HydrophobicContact CB-CZ2 4.33Å; E99-W110 HydrophobicContact CG-CH2 4.07Å; E99-W110 HydrophobicContact CG-CZ2 3.83Å
100R81.5Confident85.4Confident41 Ų4160.5 Ų60.516%0.15528%0.283CS..Hα-helixtrans-66.4-43.9175.2-172.2179.4-172.2162.16.2112.3T61 L96 Q97 F98 V102 L103 L104 N207T61-R100 HydrophobicContact CG2-CB 3.88Å; T61-R100 HydrophobicContact CG2-CG 4.38Å; T61-R100 WeakPolarHBondContact OG1-CD 3.39Å; T61-R100 PolarHBondContact OG1-NH1 2.8Å; L96-R100 WeakPolarHBondContact O-CB 3.37Å; L96-R100 PolarHBondContact O-N 3.41Å; Q97-R100 WeakPolarHBondContact O-CB 3.2Å; Q97-R100 PolarHBondContact O-N 3.09Å; F98-R100 VanDerWaalsContact C-N 3.28Å; F98-R100 PolarHBondContact O-N 3.46Å; R100-V102 VanDerWaalsContact C-N 3.32Å; R100-V102 PolarHBondContact O-N 3.02Å; R100-L103 PolarHBondContact O-N 3.44Å; R100-L104 HydrophobicContact CG-CD1 3.94Å; R100-L104 HydrophobicContact CG-CG 4.34Å; R100-L104 WeakPolarHBondContact O-CB 3.29Å; R100-L104 VanDerWaalsContact O-CG 3.29Å; R100-L104 WeakPolarHBondContact O-CG 3.34Å; R100-L104 PolarHBondContact O-N 2.94Å; R100-N207 PolarHBondContact NH2-O 3.33Å
101E84.9Confident85Confident111 Ų11160.5 Ų60.552%0.51928%0.284SS..Hα-helixtrans-58.2-45.6176.8-74.5175.4-174.700111.3Q97 F98 L103 L104 D105Q97-E101 WeakPolarHBondContact O-CG 3.33Å; Q97-E101 PolarHBondContact O-N 2.88Å; F98-E101 PolarHBondContact O-N 3.35Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.31Å; E101-L104 PolarHBondContact O-N 3.37Å; E101-L104 VanDerWaalsContact O-N 3.16Å; E101-D105 WeakPolarHBondContact O-CB 3.31Å; E101-D105 PolarHBondContact O-N 3.37Å
102V84Confident84.7Confident3 Ų356.5 Ų56.52%0.01827%0.27CS..Hα-helixtrans-63.5-37.3177.3175.50000111.7F98 R100 L104 R108 W110 V119F98-V102 HydrophobicContact CD1-CG2 4.25Å; F98-V102 HydrophobicContact CD2-CG2 4.36Å; F98-V102 HydrophobicContact CE1-CG2 3.9Å; F98-V102 HydrophobicContact CE2-CG2 4.01Å; F98-V102 HydrophobicContact CG-CG2 4.48Å; F98-V102 HydrophobicContact CZ-CG2 3.78Å; F98-V102 VanDerWaalsContact O-CG2 3.25Å; F98-V102 WeakPolarHBondContact O-CG2 3.4Å; F98-V102 PolarHBondContact O-N 3.28Å; R100-V102 VanDerWaalsContact C-N 3.32Å; R100-V102 PolarHBondContact O-N 3.02Å; V102-L104 VanDerWaalsContact C-N 3.32Å; V102-R108 HydrophobicContact CG1-CB 3.99Å; V102-W110 HydrophobicContact CB-CZ2 3.86Å; V102-W110 HydrophobicContact CG1-CD2 4.34Å; V102-W110 HydrophobicContact CG1-CG 4.46Å; V102-W110 HydrophobicContact CG1-CZ2 3.9Å; V102-W110 VanDerWaalsContact CG1-NE1 3.28Å; V102-W110 HydrophobicContact CG2-CZ2 3.94Å; V102-V119 HydrophobicContact CG1-CG1 3.8Å; V102-V119 HydrophobicContact CG1-CG2 4.07Å; V102-V119 HydrophobicContact CG2-CG1 3.99Å; V102-V119 HydrophobicContact CG2-CG2 3.76Å
103L77.1Confident84.4Confident62 Ų6254.5 Ų54.533%0.32526%0.264SS..Hα-helixtrans-70.8-26.8175.9-73.6171.4000113.6E99 R100 E101E99-L103 VanDerWaalsContact O-CG 3.25Å; E99-L103 WeakPolarHBondContact O-CG 3.01Å; E99-L103 PolarHBondContact O-N 3.04Å; R100-L103 PolarHBondContact O-N 3.44Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.31Å
104L75.2Confident83.8Confident87 Ų8759.7 Ų59.746%0.45530%0.301SS..Hα-helixtrans-88.3-24.6179.3-69.3175.5000112.5R100 E101 V102 P106 C208R100-L104 HydrophobicContact CG-CD1 3.94Å; R100-L104 HydrophobicContact CG-CG 4.34Å; R100-L104 WeakPolarHBondContact O-CB 3.29Å; R100-L104 VanDerWaalsContact O-CG 3.29Å; R100-L104 WeakPolarHBondContact O-CG 3.34Å; R100-L104 PolarHBondContact O-N 2.94Å; E101-L104 PolarHBondContact O-N 3.37Å; E101-L104 VanDerWaalsContact O-N 3.16Å; V102-L104 VanDerWaalsContact C-N 3.32Å; L104-P106 VanDerWaalsContact O-CD 3.23Å; L104-P106 WeakPolarHBondContact O-CD 3.41Å; L104-C208 HydrophobicContact CD2-CB 3.99Å
105D81.1Confident83.5Confident48 Ų4860.7 Ų60.726%0.25732%0.319SS..  trans-80.4109.6176.7-172.3-15.8000110.7E101 C107 R108E101-D105 WeakPolarHBondContact O-CB 3.31Å; E101-D105 PolarHBondContact O-N 3.37Å; D105-C107 PolarHBondContact O-N 3.4Å; D105-C107 VanDerWaalsContact O-N 3.13Å; D105-C107 WeakPolarHBondContact OD1-CA 3.37Å; D105-C107 WeakPolarHBondContact OD1-CB 3.39Å; D105-C107 PolarHBondContact OD1-N 3.17Å; D105-R108 HydrophobicContact CB-CB 4.21Å; D105-R108 HydrophobicContact CB-CG 4.13Å; D105-R108 PolarHBondContact O-N 3.28Å; D105-R108 VanDerWaalsContact O-N 3.15Å; D105-R108 WeakPolarHBondContact OD2-CD 3.16Å; D105-R108 WeakPolarHBondContact OD2-CG 3.49Å; D105-R108 IonicContact OD2-CZ 3.79Å; D105-R108 IonicContact OD2-NE 3.13Å; D105-R108 PolarHBondContact OD2-NE 2.84Å; D105-R108 VanDerWaalsContact OD2-NE 3.13Å
106P76.8Confident83.3Confident87 Ų8755.8 Ų55.857%0.56531%0.305SS*.THydrogen-bonded Turntrans-62.8-20.7179.3-22.337.2000113.3L104 R108 V127L104-P106 VanDerWaalsContact O-CD 3.23Å; L104-P106 WeakPolarHBondContact O-CD 3.41Å; P106-R108 VanDerWaalsContact C-N 3.31Å; P106-V127 HydrophobicContact CB-CG1 3.48Å; P106-V127 VanDerWaalsContact CB-CG1 3.48Å; P106-V127 VanDerWaalsContact O-CG1 3.26Å; P106-V127 WeakPolarHBondContact O-CG1 3.23Å
107C82.8Confident83.1Confident19 Ų1960.9 Ų60.913%0.12833%0.329CS..THydrogen-bonded Turntrans-90.37.5-178.5-58.90000112.8D105 L122D105-C107 PolarHBondContact O-N 3.4Å; D105-C107 VanDerWaalsContact O-N 3.13Å; D105-C107 WeakPolarHBondContact OD1-CA 3.37Å; D105-C107 WeakPolarHBondContact OD1-CB 3.39Å; D105-C107 PolarHBondContact OD1-N 3.17Å; C107-L122 PolarHBondContact O-N 3.11Å
108R84.4Confident82.9Confident85 Ų8559.4 Ų59.432%0.32132%0.324SS..EExtended strand (participates in β ladder)trans-126.1145.9178.6-65.5179.2178.1-177.72.4111.3V102 D105 P106 V119 C120V102-R108 HydrophobicContact CG1-CB 3.99Å; D105-R108 HydrophobicContact CB-CB 4.21Å; D105-R108 HydrophobicContact CB-CG 4.13Å; D105-R108 PolarHBondContact O-N 3.28Å; D105-R108 VanDerWaalsContact O-N 3.15Å; D105-R108 WeakPolarHBondContact OD2-CD 3.16Å; D105-R108 WeakPolarHBondContact OD2-CG 3.49Å; D105-R108 IonicContact OD2-CZ 3.79Å; D105-R108 IonicContact OD2-NE 3.13Å; D105-R108 PolarHBondContact OD2-NE 2.84Å; D105-R108 VanDerWaalsContact OD2-NE 3.13Å; P106-R108 VanDerWaalsContact C-N 3.31Å; R108-V119 HydrophobicContact CB-CG1 3.9Å; R108-V119 HydrophobicContact CG-CG1 4.18Å; R108-C120 WeakPolarHBondContact CA-O 3.48Å
109T84.3Confident83Confident10 Ų1057.2 Ų57.26%0.06132%0.317CS..EExtended strand (participates in β ladder)trans-145.4150.3175-166.80000111.4C120 L122 V133 F142T109-C120 HydrophobicContact CG2-CB 4.1Å; T109-C120 PolarHBondContact N-O 3.14Å; T109-C120 PolarHBondContact O-N 3.43Å; T109-L122 HydrophobicContact CG2-CD1 4.42Å; T109-L122 HydrophobicContact CG2-CD2 3.94Å; T109-L122 HydrophobicContact CG2-CG 4.23Å; T109-V133 HydrophobicContact CG2-CG1 4.42Å; T109-F142 HydrophobicContact CG2-CE2 3.79Å; T109-F142 HydrophobicContact CG2-CZ 3.91Å
110W86Confident83.2Confident48 Ų4854.1 Ų54.118%0.18230%0.303CS..EExtended strand (participates in β ladder)trans-80.3139.7177-69.795.8000111.1F98 E99 V102 Q117 V119F98-W110 AromaticContact CD1-CH2 3.92Å; F98-W110 HydrophobicContact CD1-CH2 3.92Å; F98-W110 HydrophobicContact CD1-CZ2 4.34Å; F98-W110 AromaticContact CE1-CH2 3.64Å; F98-W110 HydrophobicContact CE1-CH2 3.64Å; F98-W110 HydrophobicContact CE1-CZ2 4.21Å; E99-W110 HydrophobicContact CB-CZ2 4.33Å; E99-W110 HydrophobicContact CG-CH2 4.07Å; E99-W110 HydrophobicContact CG-CZ2 3.83Å; V102-W110 HydrophobicContact CB-CZ2 3.86Å; V102-W110 HydrophobicContact CG1-CD2 4.34Å; V102-W110 HydrophobicContact CG1-CG 4.46Å; V102-W110 HydrophobicContact CG1-CZ2 3.9Å; V102-W110 VanDerWaalsContact CG1-NE1 3.28Å; V102-W110 HydrophobicContact CG2-CZ2 3.94Å; W110-Q117 WeakPolarHBondContact CZ3-O 3.29Å; W110-V119 HydrophobicContact CD2-CG2 4.18Å; W110-V119 HydrophobicContact CE3-CG2 3.84Å; W110-V119 HydrophobicContact CH2-CG2 3.57Å; W110-V119 HydrophobicContact CZ2-CG2 3.86Å; W110-V119 HydrophobicContact CZ3-CG2 3.56Å
111C85.9Confident83.4Confident9 Ų957.9 Ų57.96%0.06132%0.322CS..  trans-59.6130167.4-175.60000109.7S113 C116 A118 C138C111-S113 PolarHBondContact O-N 3.03Å; C111-C116 HydrophobicContact CB-CB 4.26Å; C111-A118 HydrophobicContact CB-CB 4.39Å; C111-A118 WeakPolarHBondContact CB-O 3.48Å; C111-A118 PolarHBondContact N-O 2.89Å; C111-C138 VanDerWaalsContact SG-SG 3.61Å
112P84.8Confident83.2Confident54 Ų5453.3 Ų53.335%0.35130%0.301SS..SBendtrans-70.6-14.1179.425.1-31.7000113.8S114 L140 F142 R147P112-S114 PolarHBondContact O-N 2.98Å; P112-L140 HydrophobicContact CG-CD2 3.85Å; P112-F142 HydrophobicContact CG-CB 3.88Å; P112-F142 HydrophobicContact CG-CD1 4.07Å; P112-F142 HydrophobicContact CG-CD2 4.04Å; P112-F142 HydrophobicContact CG-CG 3.73Å; P112-R147 HydrophobicContact CB-CB 4.19Å; P112-R147 WeakPolarHBondContact CB-O 3.25Å; P112-R147 WeakPolarHBondContact CG-O 3.34Å
113S83.6Confident82.8Confident28 Ų2858.4 Ų58.420%0.19633%0.328CS..  trans-66.5118.9175.8175.20000110.5C111 S115 C116C111-S113 PolarHBondContact O-N 3.03Å; S113-S115 PolarHBondContact O-N 3.35Å; S113-S115 VanDerWaalsContact O-N 3.15Å; S113-S115 PolarHBondContact OG-OG 3.41Å; S113-S115 VanDerWaalsContact OG-OG 3.14Å; S113-C116 PolarHBondContact O-N 3.38Å; S113-C116 VanDerWaalsContact O-N 3.08Å
114S81.8Confident82.4Confident117 Ų11763.2 Ų63.282%0.81835%0.349SS*.THydrogen-bonded Turntrans-59.7-23.9179.354.20000113.7P112P112-S114 PolarHBondContact O-N 2.98Å
115S83.5Confident81.8Confident109 Ų10963.9 Ų63.976%0.76237%0.367SS*.THydrogen-bonded Turntrans-93.7-9.9179.157.40000114.3S113S113-S115 PolarHBondContact O-N 3.35Å; S113-S115 VanDerWaalsContact O-N 3.15Å; S113-S115 PolarHBondContact OG-OG 3.41Å; S113-S115 VanDerWaalsContact OG-OG 3.14Å
116C85.5Confident80.9Confident32 Ų3266.4 Ų66.422%0.21638%0.377CS..THydrogen-bonded Turntrans-96.2-49.7-172.9-173.70000112.2C111 S113 A118 C138C111-C116 HydrophobicContact CB-CB 4.26Å; S113-C116 PolarHBondContact O-N 3.38Å; S113-C116 VanDerWaalsContact O-N 3.08Å; C116-A118 PolarHBondContact O-N 3.18Å; C116-A118 WeakPolarHBondContact SG-CB 3.34Å; C116-C138 HydrophobicContact CB-CB 4.29Å
117Q81.3Confident80.2Confident134 Ų13464.5 Ų64.563%0.62636%0.364SS*.  trans49.124.1-174.8-56.7-161.2-42.500114.5W110W110-Q117 WeakPolarHBondContact CZ3-O 3.29Å
118A85.7Confident79.1Confident12 Ų1272.7 Ų72.710%0.09940%0.4CS..  trans-79.3145.4177.500000111.6C111 C116 E137C111-A118 HydrophobicContact CB-CB 4.39Å; C111-A118 WeakPolarHBondContact CB-O 3.48Å; C111-A118 PolarHBondContact N-O 2.89Å; C116-A118 PolarHBondContact O-N 3.18Å; C116-A118 WeakPolarHBondContact SG-CB 3.34Å; A118-E137 HydrophobicContact CB-CB 3.99Å; A118-E137 HydrophobicContact CB-CG 3.56Å
119V88.4Confident78.3Confident38 Ų3874 Ų7423%0.2341%0.413CS..EExtended strand (participates in β ladder)trans-90.9126.4170.9-1790000109.1F98 V102 R108 W110F98-V119 HydrophobicContact CE1-CG2 3.6Å; F98-V119 HydrophobicContact CZ-CB 4.41Å; F98-V119 HydrophobicContact CZ-CG2 3.65Å; V102-V119 HydrophobicContact CG1-CG1 3.8Å; V102-V119 HydrophobicContact CG1-CG2 4.07Å; V102-V119 HydrophobicContact CG2-CG1 3.99Å; V102-V119 HydrophobicContact CG2-CG2 3.76Å; R108-V119 HydrophobicContact CB-CG1 3.9Å; R108-V119 HydrophobicContact CG-CG1 4.18Å; W110-V119 HydrophobicContact CD2-CG2 4.18Å; W110-V119 HydrophobicContact CE3-CG2 3.84Å; W110-V119 HydrophobicContact CH2-CG2 3.57Å; W110-V119 HydrophobicContact CZ2-CG2 3.86Å; W110-V119 HydrophobicContact CZ3-CG2 3.56Å
120C87.7Confident77.7Confident2 Ų277 Ų771%0.01443%0.432CS..EExtended strand (participates in β ladder)trans-105.7137.8179.7-54.70000109.8R108 T109 V133 F142R108-C120 WeakPolarHBondContact CA-O 3.48Å; T109-C120 HydrophobicContact CG2-CB 4.1Å; T109-C120 PolarHBondContact N-O 3.14Å; T109-C120 PolarHBondContact O-N 3.43Å; C120-V133 HydrophobicContact CB-CG1 3.56Å; C120-F142 HydrophobicContact CB-CZ 4.21Å
121Q85.9Confident77.4Confident121 Ų12175.3 Ų75.357%0.56543%0.427SS*.EExtended strand (participates in β ladder)trans-84138.2176.1-159.478.930.900110.1
122L82.1Confident77.3Confident14 Ų1479 Ų797%0.07345%0.451CS..PPolyproline II helixtrans-103.5154173.3-58.9177.4000110C107 T109 E124 Q131 V133C107-L122 PolarHBondContact O-N 3.11Å; T109-L122 HydrophobicContact CG2-CD1 4.42Å; T109-L122 HydrophobicContact CG2-CD2 3.94Å; T109-L122 HydrophobicContact CG2-CG 4.23Å; L122-E124 PolarHBondContact O-N 2.86Å; L122-Q131 HydrophobicContact CD2-CG 4.36Å; L122-V133 HydrophobicContact CD2-CB 4.45Å; L122-V133 HydrophobicContact CD2-CG1 4.33Å; L122-V133 HydrophobicContact CD2-CG2 3.27Å
123N75.6Confident77.4Confident110 Ų11076.9 Ų76.959%0.58844%0.437SS*.PPolyproline II helixtrans-72.3125.5173.5-73.7-27.9000110.6A125 E126N123-A125 PolarHBondContact O-N 3Å; N123-E126 PolarHBondContact O-N 3.12Å; N123-E126 VanDerWaalsContact O-N 3.17Å
124E68.2Low77.7Confident164 Ų16480.5 Ų80.577%0.76645%0.451SS*.G310 helixtrans-56.9-31.7-177.6-64.9-176.816100113.4L122 E126 V127L122-E124 PolarHBondContact O-N 2.86Å; E124-E126 VanDerWaalsContact C-N 3.3Å; E124-E126 PolarHBondContact O-N 3.15Å; E124-V127 WeakPolarHBondContact O-CG2 3.09Å
125A62.8Low78Confident100 Ų10075 Ų7583%0.82641%0.412SS*.G310 helixtrans-71.5-19.4-177.500000114.2N123N123-A125 PolarHBondContact O-N 3Å
126E62.4Low78.3Confident102 Ų10274.1 Ų74.148%0.47740%0.404SS..G310 helixtrans-130.822.4-169.4-64.1-174.817200113.1N123 E124 Q128 L129 Q131N123-E126 PolarHBondContact O-N 3.12Å; N123-E126 VanDerWaalsContact O-N 3.17Å; E124-E126 VanDerWaalsContact C-N 3.3Å; E124-E126 PolarHBondContact O-N 3.15Å; E126-Q128 PolarHBondContact O-N 2.86Å; E126-L129 PolarHBondContact O-N 2.97Å; E126-Q131 PolarHBondContact O-NE2 3.01Å
127V61Low78.4Confident46 Ų4679.6 Ų79.628%0.27943%0.426SS..THydrogen-bonded Turntrans-55.7-28.3-175.6173.90000113.4P106 E124P106-V127 HydrophobicContact CB-CG1 3.48Å; P106-V127 VanDerWaalsContact CB-CG1 3.48Å; P106-V127 VanDerWaalsContact O-CG1 3.26Å; P106-V127 WeakPolarHBondContact O-CG1 3.23Å; E124-V127 WeakPolarHBondContact O-CG2 3.09Å
128Q59.8Low78.9Confident192 Ų19275.9 Ų75.990%0.89741%0.414SS*.THydrogen-bonded Turntrans-89.6-8.2-179.1-61.4-169.5-5.700114.1E126E126-Q128 PolarHBondContact O-N 2.86Å
129L68Low79Confident112 Ų11278.8 Ų78.859%0.58643%0.434SS*.SBendtrans-105.8144177.6-79112.7000111.6E126 Q131E126-L129 PolarHBondContact O-N 2.97Å; L129-Q131 PolarHBondContact O-N 3.13Å; L129-Q131 VanDerWaalsContact O-N 3.11Å
130P71.5Confident78.9Confident72 Ų7280 Ų8047%0.46844%0.439SS..  trans-58.9116.2170.1-19.731.4000109.8A145P130-A145 HydrophobicContact CB-CB 4.18Å; P130-A145 HydrophobicContact CG-CB 4.23Å
131Q79.4Confident79Confident13 Ų1386.5 Ų86.56%0.06146%0.463CS..  trans-124.3148.3178.565.7-177.2-75.300110.5L122 E126 L129 V133 S144L122-Q131 HydrophobicContact CD2-CG 4.36Å; E126-Q131 PolarHBondContact O-NE2 3.01Å; L129-Q131 PolarHBondContact O-N 3.13Å; L129-Q131 VanDerWaalsContact O-N 3.11Å; Q131-V133 PolarHBondContact O-N 2.89Å; Q131-S144 PolarHBondContact N-OG 2.92Å; Q131-S144 PolarHBondContact O-N 3.36Å; Q131-S144 PolarHBondContact O-OG 3.18Å
132P83.6Confident79Confident88 Ų8880.9 Ų80.957%0.57144%0.437SS*.EExtended strand (participates in β ladder)trans-72.5125.9174.529.3-33000110.5C150P132-C150 HydrophobicContact CB-CB 4.26Å; P132-C150 VanDerWaalsContact CB-SG 3.55Å
133V87.6Confident79.1Confident9 Ų980.3 Ų80.36%0.05543%0.434CS..EExtended strand (participates in β ladder)trans-111.8136.5178.6-171.70000108.5T109 C120 L122 Q131 R141 F142T109-V133 HydrophobicContact CG2-CG1 4.42Å; C120-V133 HydrophobicContact CB-CG1 3.56Å; L122-V133 HydrophobicContact CD2-CB 4.45Å; L122-V133 HydrophobicContact CD2-CG1 4.33Å; L122-V133 HydrophobicContact CD2-CG2 3.27Å; Q131-V133 PolarHBondContact O-N 2.89Å; V133-R141 CarbonylContact O-C 3.58Å; V133-R141 VanDerWaalsContact O-CA 3.26Å; V133-R141 WeakPolarHBondContact O-CA 3.34Å; V133-F142 HydrophobicContact CB-CD1 4.4Å; V133-F142 HydrophobicContact CB-CD2 4.4Å; V133-F142 HydrophobicContact CB-CE1 4.04Å; V133-F142 HydrophobicContact CB-CE2 4.04Å; V133-F142 HydrophobicContact CB-CZ 3.85Å; V133-F142 HydrophobicContact CG1-CE1 3.93Å; V133-F142 HydrophobicContact CG1-CE2 4.28Å; V133-F142 HydrophobicContact CG1-CZ 3.67Å; V133-F142 HydrophobicContact CG2-CE2 4.38Å; V133-F142 PolarHBondContact N-O 2.84Å; V133-F142 PolarHBondContact O-N 2.8Å
134Q89.6Confident79.4Confident104 Ų10475.9 Ų75.949%0.48641%0.412SS..EExtended strand (participates in β ladder)trans-111.3123171.1-177.1173-9.800109.2R141Q134-R141 HydrophobicContact CB-CG 4.34Å; Q134-R141 HydrophobicContact CG-CG 4.19Å
135C89Confident79.8Confident0 Ų071.1 Ų71.10%040%0.4CS..  trans-68128.8176.1-177.70000110.5E137 S139 L140 F142C135-E137 VanDerWaalsContact C-N 3.32Å; C135-E137 PolarHBondContact O-N 3.42Å; C135-S139 WeakPolarHBondContact O-CA 3.32Å; C135-S139 PolarHBondContact O-N 2.73Å; C135-L140 HydrophobicContact CB-CB 4.45Å; C135-L140 PolarHBondContact N-O 3.38Å; C135-F142 HydrophobicContact CB-CE1 4.37Å
136P88.2Confident80.4Confident91 Ų9167.6 Ų67.659%0.59137%0.369SS*.THydrogen-bonded Turntrans-70-28.1179.726.9-33.7000113.2
137E89.6Confident81.1Confident148 Ų14868.2 Ų68.269%0.69237%0.367SS*.THydrogen-bonded Turntrans-84.9-49.7-175.1-61.3-58.2145.900112.5A118 C135A118-E137 HydrophobicContact CB-CB 3.99Å; A118-E137 HydrophobicContact CB-CG 3.56Å; C135-E137 VanDerWaalsContact C-N 3.32Å; C135-E137 PolarHBondContact O-N 3.42Å
138C90.2Very high81.9Confident55 Ų5567.6 Ų67.637%0.37237%0.367SS..THydrogen-bonded Turntrans-107.90.5-175.771.20000114.2C111 C116 L140C111-C138 VanDerWaalsContact SG-SG 3.61Å; C116-C138 HydrophobicContact CB-CB 4.29Å; C138-L140 PolarHBondContact O-N 3.25Å; C138-L140 WeakPolarHBondContact SG-CB 3.39Å
139S88.3Confident82.8Confident73 Ų7364.8 Ų64.851%0.5136%0.358SS..  trans58.710.2-177.1-640000115.8C135 R141C135-S139 WeakPolarHBondContact O-CA 3.32Å; C135-S139 PolarHBondContact O-N 2.73Å; S139-R141 PolarHBondContact O-N 2.83Å
140L87.3Confident83.2Confident65 Ų6561.9 Ų61.934%0.3435%0.347SS..  trans-63131.7175.5-177.563.6000110.4P112 C135 C138P112-L140 HydrophobicContact CG-CD2 3.85Å; C135-L140 HydrophobicContact CB-CB 4.45Å; C135-L140 PolarHBondContact N-O 3.38Å; C138-L140 PolarHBondContact O-N 3.25Å; C138-L140 WeakPolarHBondContact SG-CB 3.39Å
141R88Confident83.2Confident138 Ų13860.7 Ų60.752%0.52134%0.335SS..EExtended strand (participates in β ladder)trans-101.9125.1176.3-60.3-179.780.295.91.3109.6V133 Q134 S139V133-R141 CarbonylContact O-C 3.58Å; V133-R141 VanDerWaalsContact O-CA 3.26Å; V133-R141 WeakPolarHBondContact O-CA 3.34Å; Q134-R141 HydrophobicContact CB-CG 4.34Å; Q134-R141 HydrophobicContact CG-CG 4.19Å; S139-R141 PolarHBondContact O-N 2.83Å
142F86.8Confident82.4Confident2 Ų266.8 Ų66.81%0.00937%0.373CS..EExtended strand (participates in β ladder)trans-146.4162.2-176.864.2-82.7000111.8T109 P112 C120 V133 C135 A148 C150T109-F142 HydrophobicContact CG2-CE2 3.79Å; T109-F142 HydrophobicContact CG2-CZ 3.91Å; P112-F142 HydrophobicContact CG-CB 3.88Å; P112-F142 HydrophobicContact CG-CD1 4.07Å; P112-F142 HydrophobicContact CG-CD2 4.04Å; P112-F142 HydrophobicContact CG-CG 3.73Å; C120-F142 HydrophobicContact CB-CZ 4.21Å; V133-F142 HydrophobicContact CB-CD1 4.4Å; V133-F142 HydrophobicContact CB-CD2 4.4Å; V133-F142 HydrophobicContact CB-CE1 4.04Å; V133-F142 HydrophobicContact CB-CE2 4.04Å; V133-F142 HydrophobicContact CB-CZ 3.85Å; V133-F142 HydrophobicContact CG1-CE1 3.93Å; V133-F142 HydrophobicContact CG1-CE2 4.28Å; V133-F142 HydrophobicContact CG1-CZ 3.67Å; V133-F142 HydrophobicContact CG2-CE2 4.38Å; V133-F142 PolarHBondContact N-O 2.84Å; V133-F142 PolarHBondContact O-N 2.8Å; C135-F142 HydrophobicContact CB-CE1 4.37Å; F142-A148 CarbonylContact C-O 3.5Å; F142-A148 VanDerWaalsContact CA-O 3.24Å; F142-A148 WeakPolarHBondContact CA-O 3.03Å; F142-A148 WeakPolarHBondContact CB-O 3.48Å; F142-C150 PolarHBondContact N-SG 3.43Å; F142-C150 VanDerWaalsContact N-SG 3.37Å; F142-C150 PolarHBondContact O-SG 3.46Å
143C85.1Confident81.3Confident3 Ų366.9 Ų66.92%0.0239%0.39CS..EExtended strand (participates in β ladder)trans-78.8132.6175178.60000111.4A145 C146 R147 A148C143-A145 PolarHBondContact O-N 2.84Å; C143-A145 PolarHBondContact SG-N 2.93Å; C143-C146 WeakPolarHBondContact CB-SG 3.29Å; C143-R147 VanDerWaalsContact O-CA 3.24Å; C143-R147 WeakPolarHBondContact O-CA 3.43Å; C143-R147 PolarHBondContact O-N 3.14Å; C143-A148 PolarHBondContact N-O 3.17Å
144S81.6Confident80.1Confident17 Ų1772.9 Ų72.912%0.11942%0.418CS..THydrogen-bonded Turntrans-57.2-30.3177.461.30000114.1Q131Q131-S144 PolarHBondContact N-OG 2.92Å; Q131-S144 PolarHBondContact O-N 3.36Å; Q131-S144 PolarHBondContact O-OG 3.18Å
145A76.6Confident78.9Confident63 Ų6372.3 Ų72.352%0.52143%0.431SS..THydrogen-bonded Turntrans-92.4-51.4-172.400000113.6P130 C143P130-A145 HydrophobicContact CB-CB 4.18Å; P130-A145 HydrophobicContact CG-CB 4.23Å; C143-A145 PolarHBondContact O-N 2.84Å; C143-A145 PolarHBondContact SG-N 2.93Å
146C75.8Confident78Confident26 Ų2674.1 Ų74.118%0.17644%0.443CS..THydrogen-bonded Turntrans-95.1-13.6-177.966.20000113.9C143 A148 H151 C156C143-C146 WeakPolarHBondContact CB-SG 3.29Å; C146-A148 PolarHBondContact O-N 3.38Å; C146-A148 VanDerWaalsContact O-N 3.15Å; C146-H151 PolarHBondContact SG-NE2 3.41Å; C146-C156 HydrophobicContact CB-CB 3.83Å
147R76Confident76.5Confident115 Ų11577.9 Ų77.943%0.43445%0.453SS..  trans60.812.8-175.8-50.6-178-179.1173.8-1114.8P112 C143P112-R147 HydrophobicContact CB-CB 4.19Å; P112-R147 WeakPolarHBondContact CB-O 3.25Å; P112-R147 WeakPolarHBondContact CG-O 3.34Å; C143-R147 VanDerWaalsContact O-CA 3.24Å; C143-R147 WeakPolarHBondContact O-CA 3.43Å; C143-R147 PolarHBondContact O-N 3.14Å
148A78.8Confident74.8Confident34 Ų3476.9 Ų76.928%0.28145%0.448SS..SBendtrans-90.8-174170.100000111.2F142 C143 C146F142-A148 CarbonylContact C-O 3.5Å; F142-A148 VanDerWaalsContact CA-O 3.24Å; F142-A148 WeakPolarHBondContact CA-O 3.03Å; F142-A148 WeakPolarHBondContact CB-O 3.48Å; C143-A148 PolarHBondContact N-O 3.17Å; C146-A148 PolarHBondContact O-N 3.38Å; C146-A148 VanDerWaalsContact O-N 3.15Å
149D78.1Confident72.8Confident132 Ų13281 Ų8171%0.70646%0.463SS*.BIsolated β-bridgetrans-55.4147.2178.1-67.2-31.2000112.4H151D149-H151 PolarHBondContact O-CD2 3.33Å; D149-H151 PolarHBondContact O-N 2.94Å
150C75.1Confident70.8Confident52 Ų5282.1 Ų82.135%0.35146%0.463SS..  trans-60122.9179.9-71.80000111.5P132 F142P132-C150 HydrophobicContact CB-CB 4.26Å; P132-C150 VanDerWaalsContact CB-SG 3.55Å; F142-C150 PolarHBondContact N-SG 3.43Å; F142-C150 VanDerWaalsContact N-SG 3.37Å; F142-C150 PolarHBondContact O-SG 3.46Å
151H73.6Confident68.6Low47 Ų4781 Ų8122%0.21846%0.46CS..  trans-123145.6173.858.882.9000110.5C146 D149 Q154 C156C146-H151 PolarHBondContact SG-NE2 3.41Å; D149-H151 PolarHBondContact O-CD2 3.33Å; D149-H151 PolarHBondContact O-N 2.94Å; H151-Q154 PolarHBondContact CE1-O 2.91Å; H151-Q154 PolarHBondContact ND1-O 3.34Å; H151-C156 VanDerWaalsContact CE1-SG 3.52Å; H151-C156 PolarHBondContact NE2-SG 2.88Å
152T61.8Low66.6Low140 Ų14079 Ų7986%0.85946%0.459SS*.SBendtrans-116.4120.9-177.2-22.80000109.3Q154T152-Q154 PolarHBondContact O-N 3.45Å; T152-Q154 VanDerWaalsContact O-N 3.17Å
153G60.5Low64.3Low91 Ų9183.5 Ų83.594%0.93849%0.486SS*.SBendtrans73.6-0174.600000116.5
154Q62.3Low62.2Low134 Ų13488.3 Ų88.363%0.62652%0.516SS*.SBendtrans-97.7141.6170.7-66.3-179.5-42.300110.3H151 T152H151-Q154 PolarHBondContact CE1-O 2.91Å; H151-Q154 PolarHBondContact ND1-O 3.34Å; T152-Q154 PolarHBondContact O-N 3.45Å; T152-Q154 VanDerWaalsContact O-N 3.17Å
155A63.6Low60.3Low92 Ų9296 Ų9676%0.7655%0.547SS*.  trans-62140.3170.100000109.5Q157A155-Q157 PolarHBondContact O-N 2.99Å
156C69.9Low58.4Low38 Ų3899.7 Ų99.726%0.25756%0.558SS.*  trans-52.7113176.3-73.60000110.1C146 H151 E158C146-C156 HydrophobicContact CB-CB 3.83Å; H151-C156 VanDerWaalsContact CE1-SG 3.52Å; H151-C156 PolarHBondContact NE2-SG 2.88Å; C156-E158 VanDerWaalsContact C-N 3.32Å; C156-E158 PolarHBondContact O-N 3.25Å
157Q58.6Low56.3Low171 Ų171104.8 Ų104.880%0.79959%0.59SS**  trans-81.3-8.3-168.2-164.8155.40.700114A155A155-Q157 PolarHBondContact O-N 2.99Å
158E53Low54.5Low126 Ų126102.1 Ų102.159%0.58960%0.599SS**  trans-111.586179.8-74.6-174.1150.600112.7C156C156-E158 VanDerWaalsContact C-N 3.32Å; C156-E158 PolarHBondContact O-N 3.25Å
159M49.1Very low52.5Low142 Ų142109.8 Ų109.870%0.763%0.629SS**  trans-114.227.8153.2-66.3-159.2-3600111.6P161M159-P161 WeakPolarHBondContact O-CD 3.45Å
160L44.5Very low50.6Low96 Ų96111.6 Ų111.650%0.50364%0.638SS.*  trans-71.2126.9174.9-74.7166.5000109.6L175L160-L175 HydrophobicContact CD2-CD2 4.05Å
161P41Very low49.1Very low42 Ų42112.5 Ų112.527%0.27366%0.656SS.*  trans-60.9156.2170.522.9-29.1000110.4M159 T163M159-P161 WeakPolarHBondContact O-CD 3.45Å; P161-T163 PolarHBondContact O-N 3.28Å
162I46.5Very low47.3Very low96 Ų96116.2 Ų116.249%0.49269%0.688SS.*THydrogen-bonded Turntrans-67.755.4175.6-55.8175.5000109.7F165 Y193I162-F165 HydrophobicContact CG2-CD2 3.5Å; I162-F165 HydrophobicContact CG2-CE2 3.68Å; I162-Y193 HydrophobicContact CD1-CD1 4.4Å; I162-Y193 HydrophobicContact CD1-CE1 3.75Å; I162-Y193 HydrophobicContact CD1-CE2 4.08Å; I162-Y193 HydrophobicContact CG1-CE1 4.21Å
163T39.6Very low46.4Very low96 Ų96115 Ų11559%0.58969%0.685SS**THydrogen-bonded Turntrans-108.3-9.9169.342.20000111.4P161 F165P161-T163 PolarHBondContact O-N 3.28Å; T163-F165 VanDerWaalsContact C-N 3.34Å; T163-F165 PolarHBondContact O-N 3.28Å
164T39.8Very low45.3Very low105 Ų105117.1 Ų117.164%0.64468%0.675SS**THydrogen-bonded Turntrans-87.28.6-177.4-24.30000114.7L166T164-L166 PolarHBondContact O-N 3.19Å
165F41.3Very low44.4Very low177 Ų177115.5 Ų115.578%0.77667%0.67SS**THydrogen-bonded Turntrans-78.92.2171.3-74.7-81.9000113.5I162 T163I162-F165 HydrophobicContact CG2-CD2 3.5Å; I162-F165 HydrophobicContact CG2-CE2 3.68Å; T163-F165 VanDerWaalsContact C-N 3.34Å; T163-F165 PolarHBondContact O-N 3.28Å
166L36.9Very low43.5Very low142 Ų142120.2 Ų120.274%0.74367%0.673SS**SBendtrans-94.3121.3167.6-65.7176000109.6T164 G168T164-L166 PolarHBondContact O-N 3.19Å; L166-G168 PolarHBondContact O-N 3.44Å
167P33.3Very low42.1Very low132 Ų132122.7 Ų122.786%0.85769%0.691SS**  trans-69.9128.3177-14.528.2000111.5
168G38.4Very low41.6Very low59 Ų59121.9 Ų121.961%0.60869%0.687SS**  trans99.1112.4-177.100000108.6L166L166-G168 PolarHBondContact O-N 3.44Å
169E35.4Very low41.7Very low196 Ų196119.7 Ų119.792%0.91668%0.677SS**  -168.8155.557.239.9-165.476.900110.4
170N39.4Very low42.2Very low169 Ų169115.6 Ų115.690%0.90466%0.658SS**  trans-64.3151.4-165.9-68.3-31.1000114.6
171G42.9Very low43.2Very low71 Ų71118.3 Ų118.373%0.73267%0.668SS**  trans-62.4158.1-169.800000116.7
172S34.9Very low44.7Very low125 Ų125117 Ų11787%0.87466%0.661SS**  trans-163.3136.7151.6-81.60000109.7N174S172-N174 PolarHBondContact O-N 3.33Å; S172-N174 VanDerWaalsContact O-N 3.09Å
173S43.2Very low46.4Very low115 Ų115116.2 Ų116.280%0.80466%0.662SS**SBendtrans-53.2100.9178.648.90000113.5
174N38.2Very low48.5Very low135 Ų135115.5 Ų115.572%0.72265%0.654SS**  trans-168.256157-115.9-52.6000112.1S172 K176S172-N174 PolarHBondContact O-N 3.33Å; S172-N174 VanDerWaalsContact O-N 3.09Å; N174-K176 PolarHBondContact O-N 3.09Å
175L44.1Very low50.7Low101 Ų101111.7 Ų111.753%0.52963%0.628SS.*THydrogen-bonded Turntrans-81.5-4.7-165.6-155.567.5000116L160L160-L175 HydrophobicContact CD2-CD2 4.05Å
176K42.8Very low52.7Low190 Ų190107.8 Ų107.883%0.82661%0.608SS**THydrogen-bonded Turntrans-80-23.9-174.7-75.6-174.8175.5-178.80114.8N174N174-K176 PolarHBondContact O-N 3.09Å
177S41.2Very low54.9Low90 Ų90101 Ų10163%0.62957%0.573SS**THydrogen-bonded Turntrans-90.6-13.5-173.327.60000114
178Q48Very low57.4Low154 Ų15496.2 Ų96.272%0.7254%0.542SS*.THydrogen-bonded Turntrans-96.2-15.5-176.7-127.11758.700113.7
179E56Low59.3Low80 Ų8099.2 Ų99.237%0.37454%0.538SS..SBendtrans-76.8-27.9-177.9-65.4-179.3146.500113.4E181 K185E179-E181 VanDerWaalsContact C-N 3.27Å; E179-E181 PolarHBondContact O-N 2.79Å; E179-K185 WeakPolarHBondContact O-CE 3.46Å; E179-K185 PolarHBondContact O-NZ 3.04Å
180D58.7Low61.1Low56 Ų5690.3 Ų90.330%0.29950%0.497SS..THydrogen-bonded Turntrans-67.2-29-177.3-97.6-0.4000112.6Y215 K237D180-Y215 HydrophobicContact CB-CD1 4.22Å; D180-K237 IonicContact OD2-NZ 2.71Å; D180-K237 PolarHBondContact OD2-NZ 3.22Å; D180-K237 VanDerWaalsContact OD2-NZ 3.17Å
181E66.1Low62.8Low153 Ų15388 Ų8872%0.71548%0.479SS*.THydrogen-bonded Turntrans-104-0.8-175.1-68.1-94.5112.600113.3E179E179-E181 VanDerWaalsContact C-N 3.27Å; E179-E181 PolarHBondContact O-N 2.79Å
182A72.1Confident64.5Low15 Ų1587 Ų8712%0.12446%0.458CS..  trans-57.8132.2178.800000109.9I184 W214A182-I184 VanDerWaalsContact C-N 3.26Å; A182-I184 PolarHBondContact O-N 3.28Å; A182-W214 WeakPolarHBondContact O-CZ2 3.23Å
183P81.6Confident66.8Low79 Ų7986.2 Ų86.251%0.51344%0.437SS..SBendtrans-72.9-19.4-177.127.2-34.2000113.1E195 R196P183-E195 WeakPolarHBondContact O-CA 3.45Å; P183-R196 PolarHBondContact O-N 2.98Å
184I84.3Confident68.7Low81 Ų8181.7 Ų81.742%0.41540%0.404SS..EExtended strand (participates in β ladder)trans-128.1128.8-176.6-57.2173000109.2A182 Y193 I194 E195A182-I184 VanDerWaalsContact C-N 3.26Å; A182-I184 PolarHBondContact O-N 3.28Å; I184-Y193 HydrophobicContact CG2-CD1 4.01Å; I184-Y193 HydrophobicContact CG2-CG 4.47Å; I184-I194 WeakPolarHBondContact CA-O 3.42Å; I184-E195 HydrophobicContact CG1-CB 4.46Å
185K85.7Confident71Confident26 Ų2681.7 Ų81.711%0.11340%0.399CS..EExtended strand (participates in β ladder)trans-135.3166.9173.7-62.9-173.4-175.8-170.90111.1E179 Y193 I194 W214 L217E179-K185 WeakPolarHBondContact O-CE 3.46Å; E179-K185 PolarHBondContact O-NZ 3.04Å; K185-Y193 CarbonylContact O-C 3.57Å; K185-Y193 WeakPolarHBondContact O-CA 3.47Å; K185-I194 PolarHBondContact N-O 2.79Å; K185-I194 PolarHBondContact O-N 2.93Å; K185-W214 HydrophobicContact CB-CE3 4.14Å; K185-W214 HydrophobicContact CB-CH2 3.59Å; K185-W214 HydrophobicContact CB-CZ2 4.12Å; K185-W214 HydrophobicContact CB-CZ3 3.56Å; K185-W214 HydrophobicContact CD-CD2 3.78Å; K185-W214 HydrophobicContact CD-CE3 3.93Å; K185-W214 HydrophobicContact CD-CG 4.49Å; K185-W214 HydrophobicContact CD-CH2 4.1Å; K185-W214 HydrophobicContact CD-CZ2 3.82Å; K185-W214 HydrophobicContact CD-CZ3 4.12Å; K185-W214 WeakPolarHBondContact CD-O 3.2Å; K185-W214 HydrophobicContact CG-CD2 4.36Å; K185-W214 HydrophobicContact CG-CE3 4.25Å; K185-W214 HydrophobicContact CG-CH2 3.59Å; K185-W214 HydrophobicContact CG-CZ2 3.57Å; K185-W214 HydrophobicContact CG-CZ3 3.91Å; K185-W214 PolarHBondContact NZ-O 3.27Å; K185-L217 HydrophobicContact CD-CD2 4.2Å
186R82.5Confident72.9Confident94 Ų9479.6 Ų79.636%0.35538%0.384SS..EExtended strand (participates in β ladder)trans-93.4140.3176.2-65.1-176.6-169.9131.40.7110.9K191 V192 Y193R186-K191 WeakPolarHBondContact CG-O 3.43Å; R186-V192 CarbonylContact C-O 3.55Å; R186-V192 WeakPolarHBondContact CA-O 3.32Å; R186-Y193 HydrophobicContact CG-CD1 3.66Å; R186-Y193 HydrophobicContact CG-CE1 3.61Å; R186-Y193 HydrophobicContact CG-CG 4.35Å; R186-Y193 VanDerWaalsContact NE-CZ 3.26Å; R186-Y193 PolarHBondContact NE-OH 3.14Å; R186-Y193 VanDerWaalsContact NE-OH 3.17Å; R186-Y193 PolarHBondContact NH2-OH 3.09Å
187C84.6Confident74.1Confident0 Ų075.4 Ų75.40%037%0.371CS..  trans-56129.2171.2-179.40000110.3K189 K191 V192 I194 C205 C208C187-K189 PolarHBondContact O-N 3.36Å; C187-K191 WeakPolarHBondContact O-CA 3.47Å; C187-K191 PolarHBondContact O-N 2.79Å; C187-V192 HydrophobicContact CB-CG1 4.2Å; C187-V192 PolarHBondContact N-O 3.27Å; C187-I194 HydrophobicContact CB-CD1 3.65Å; C187-I194 HydrophobicContact CB-CG1 4.5Å; C187-C205 HydrophobicContact CB-CB 4.36Å; C187-C208 VanDerWaalsContact SG-SG 3.66Å
188P84.3Confident75.5Confident31 Ų3180.4 Ų80.420%0.20138%0.384CS..THydrogen-bonded Turntrans-64.3-28.1-17922.2-30.8000113K191 F212 L217P188-K191 WeakPolarHBondContact O-CE 3.43Å; P188-K191 PolarHBondContact O-NZ 2.77Å; P188-F212 HydrophobicContact CG-CB 3.73Å; P188-F212 HydrophobicContact CG-CD1 4.16Å; P188-F212 HydrophobicContact CG-CD2 3.91Å; P188-F212 HydrophobicContact CG-CG 3.66Å; P188-L217 HydrophobicContact CB-CB 4.26Å; P188-L217 WeakPolarHBondContact CB-O 3.27Å; P188-L217 HydrophobicContact CG-CB 4.43Å; P188-L217 WeakPolarHBondContact CG-O 3.34Å
189K78.7Confident76.8Confident123 Ų12375.3 Ų75.354%0.53537%0.373SS..THydrogen-bonded Turntrans-81.7-58.5179.4-167.9175.7-171.3174.20113.2C187 H210C187-K189 PolarHBondContact O-N 3.36Å; K189-H210 HydrophobicContact CB-CB 4Å; K189-H210 HydrophobicContact CD-CB 3.71Å
190C73.6Confident78.1Confident8 Ų873.3 Ų73.35%0.05437%0.368CS..THydrogen-bonded Turntrans-113.36.1-171.860.20000114.9V192 C205 C208C190-V192 HydrophobicContact CB-CG1 4.36Å; C190-V192 PolarHBondContact O-N 3Å; C190-V192 WeakPolarHBondContact SG-CG1 3.43Å; C190-C205 VanDerWaalsContact SG-SG 3.61Å; C190-C208 HydrophobicContact CB-CB 4.08Å; C190-C208 VanDerWaalsContact SG-CB 3.57Å; C190-C208 PolarHBondContact SG-SG 3.46Å
191K75.3Confident79.5Confident122 Ų12270.6 Ų70.653%0.5335%0.353SS..  trans614.7170.8-47.2-61.8175.7-169.60117.3R186 C187 P188R186-K191 WeakPolarHBondContact CG-O 3.43Å; C187-K191 WeakPolarHBondContact O-CA 3.47Å; C187-K191 PolarHBondContact O-N 2.79Å; P188-K191 WeakPolarHBondContact O-CE 3.43Å; P188-K191 PolarHBondContact O-NZ 2.77Å
192V78.6Confident80.6Confident48 Ų4866.3 Ų66.329%0.29133%0.333SS..  trans-60.9142.2167.928.90000110.4R186 C187 C190 N207R186-V192 CarbonylContact C-O 3.55Å; R186-V192 WeakPolarHBondContact CA-O 3.32Å; C187-V192 HydrophobicContact CB-CG1 4.2Å; C187-V192 PolarHBondContact N-O 3.27Å; C190-V192 HydrophobicContact CB-CG1 4.36Å; C190-V192 PolarHBondContact O-N 3Å; C190-V192 WeakPolarHBondContact SG-CG1 3.43Å; V192-N207 HydrophobicContact CG1-CB 3.98Å
193Y82.3Confident81.4Confident109 Ų10966.4 Ų66.443%0.42733%0.331SS..EExtended strand (participates in β ladder)trans-68.3136.2173.9-64.3-80.7000111.3I162 I184 K185 R186I162-Y193 HydrophobicContact CD1-CD1 4.4Å; I162-Y193 HydrophobicContact CD1-CE1 3.75Å; I162-Y193 HydrophobicContact CD1-CE2 4.08Å; I162-Y193 HydrophobicContact CG1-CE1 4.21Å; I184-Y193 HydrophobicContact CG2-CD1 4.01Å; I184-Y193 HydrophobicContact CG2-CG 4.47Å; K185-Y193 CarbonylContact O-C 3.57Å; K185-Y193 WeakPolarHBondContact O-CA 3.47Å; R186-Y193 HydrophobicContact CG-CD1 3.66Å; R186-Y193 HydrophobicContact CG-CE1 3.61Å; R186-Y193 HydrophobicContact CG-CG 4.35Å; R186-Y193 VanDerWaalsContact NE-CZ 3.26Å; R186-Y193 PolarHBondContact NE-OH 3.14Å; R186-Y193 VanDerWaalsContact NE-OH 3.17Å; R186-Y193 PolarHBondContact NH2-OH 3.09Å
194I84.6Confident81.7Confident21 Ų2168.3 Ų68.311%0.10834%0.335CS..EExtended strand (participates in β ladder)trans-129.1125.7-178.8-64.2173.9000106.3I184 K185 C187 M203 C205 F212 W214I184-I194 WeakPolarHBondContact CA-O 3.42Å; K185-I194 PolarHBondContact N-O 2.79Å; K185-I194 PolarHBondContact O-N 2.93Å; C187-I194 HydrophobicContact CB-CD1 3.65Å; C187-I194 HydrophobicContact CB-CG1 4.5Å; I194-M203 HydrophobicContact CG2-CE 3.38Å; I194-M203 HydrophobicContact CG2-SD 4Å; I194-C205 HydrophobicContact CD1-CB 3.89Å; I194-F212 HydrophobicContact CD1-CE1 3.63Å; I194-F212 HydrophobicContact CD1-CZ 3.55Å; I194-W214 HydrophobicContact CG2-CZ3 4.28Å; I194-W214 WeakPolarHBondContact O-CH2 3.42Å
195E86.1Confident81.8Confident134 Ų13464.5 Ų64.563%0.62632%0.315SS*.EExtended strand (participates in β ladder)trans-86.3142.3168-177.1174.9-169.300109.6P183 I184 D197 M203P183-E195 WeakPolarHBondContact O-CA 3.45Å; I184-E195 HydrophobicContact CG1-CB 4.46Å; E195-D197 PolarHBondContact O-N 2.79Å; E195-M203 WeakPolarHBondContact O-CE 3.42Å
196R83.3Confident81.7Confident57 Ų5770.2 Ų70.222%0.21534%0.34CS..  trans-80.8109.1178-173.1-178.6-174.9-177.9-0.7110.8P183 E198 W214 Y215P183-R196 PolarHBondContact O-N 2.98Å; R196-E198 PolarHBondContact O-N 2.63Å; R196-W214 HydrophobicContact CB-CH2 3.86Å; R196-W214 HydrophobicContact CB-CZ2 3.59Å; R196-W214 HydrophobicContact CG-CZ2 4.35Å; R196-Y215 PolarHBondContact NH2-OH 3.49Å
197D69.1Low81.4Confident102 Ų10267.4 Ų67.455%0.54533%0.332SS..  trans-66.1124162.1-58.4-32.1000107.8E195 K206E195-D197 PolarHBondContact O-N 2.79Å; D197-K206 IonicContact OD2-NZ 3.17Å
198E70.8Confident81Confident195 Ų19568.1 Ų68.191%0.91134%0.337SS*.THydrogen-bonded Turntrans-54.5148.6-171.9-65.1-175.9153.900113.5R196R196-E198 PolarHBondContact O-N 2.63Å
199G74.4Confident81Confident47 Ų4771.3 Ų71.349%0.48535%0.348SS..THydrogen-bonded Turntrans98.6-20.1165.300000118G239G199-G239 CarbonylContact O-C 3.23Å; G199-G239 VanDerWaalsContact O-C 3.23Å; G199-G239 VanDerWaalsContact O-CA 3.3Å; G199-G239 WeakPolarHBondContact O-CA 3.31Å
200C84.5Confident81.3Confident38 Ų3866.1 Ų66.126%0.25733%0.325SS..  trans-126.3134.1175.4-168.90000112.2Q202 L238 H240C200-Q202 PolarHBondContact SG-N 3.45Å; C200-Q202 VanDerWaalsContact SG-N 3.41Å; C200-Q202 PolarHBondContact SG-O 3.28Å; C200-Q202 VanDerWaalsContact SG-O 3.36Å; C200-L238 WeakPolarHBondContact CA-O 3.36Å; C200-H240 PolarHBondContact SG-CE1 3.47Å
201A87.9Confident82.1Confident0 Ų066 Ų660%033%0.325CS..SBendtrans-90.4-17.2174.700000113.8M203 W214 Y215 Y229 K237 L238A201-M203 PolarHBondContact O-N 3.39Å; A201-W214 WeakPolarHBondContact O-CB 3.12Å; A201-W214 PolarHBondContact O-N 3.02Å; A201-Y215 HydrophobicContact CB-CD2 3.97Å; A201-Y215 HydrophobicContact CB-CE2 3.42Å; A201-Y215 VanDerWaalsContact CB-CE2 3.42Å; A201-Y229 HydrophobicContact CB-CE1 3.89Å; A201-Y229 PolarHBondContact O-OH 3.32Å; A201-K237 WeakPolarHBondContact CB-O 3.33Å; A201-L238 PolarHBondContact N-O 2.76Å
202Q88.7Confident82.8Confident63 Ų6360.2 Ų60.229%0.29430%0.3SS..EExtended strand (participates in β ladder)trans-78.7112.9168.3179.8-171.317.300107.8C200 L220 L226 Y229 L238C200-Q202 PolarHBondContact SG-N 3.45Å; C200-Q202 VanDerWaalsContact SG-N 3.41Å; C200-Q202 PolarHBondContact SG-O 3.28Å; C200-Q202 VanDerWaalsContact SG-O 3.36Å; Q202-L220 HydrophobicContact CB-CD1 4.25Å; Q202-L220 HydrophobicContact CG-CD1 3.92Å; Q202-L226 HydrophobicContact CG-CD2 4.5Å; Q202-Y229 PolarHBondContact N-OH 3.25Å; Q202-Y229 VanDerWaalsContact N-OH 3.14Å; Q202-L238 HydrophobicContact CB-CD1 4.13Å
203M88.4Confident83.3Confident17 Ų1757.9 Ų57.98%0.08429%0.286CS..EExtended strand (participates in β ladder)trans-105.8148.1177.8-63.8-151.574.700110.5I194 E195 A201 A211 F212 W214I194-M203 HydrophobicContact CG2-CE 3.38Å; I194-M203 HydrophobicContact CG2-SD 4Å; E195-M203 WeakPolarHBondContact O-CE 3.42Å; A201-M203 PolarHBondContact O-N 3.39Å; M203-A211 CarbonylContact O-C 3.55Å; M203-A211 VanDerWaalsContact O-CA 3.27Å; M203-A211 WeakPolarHBondContact O-CA 3.45Å; M203-F212 HydrophobicContact CB-CD1 4.47Å; M203-F212 HydrophobicContact CB-CE1 3.95Å; M203-F212 HydrophobicContact CB-CE2 4.14Å; M203-F212 HydrophobicContact CB-CZ 3.75Å; M203-F212 PolarHBondContact N-O 2.76Å; M203-F212 PolarHBondContact O-N 3.49Å; M203-W214 HydrophobicContact CE-CZ3 4.37Å; M203-W214 HydrophobicContact CG-CB 4.32Å; M203-W214 HydrophobicContact CG-CE3 4.1Å; M203-W214 HydrophobicContact SD-CB 4.48Å; M203-W214 HydrophobicContact SD-CD2 3.77Å; M203-W214 HydrophobicContact SD-CE3 3Å; M203-W214 HydrophobicContact SD-CG 4.42Å; M203-W214 HydrophobicContact SD-CH2 4.17Å; M203-W214 HydrophobicContact SD-CZ3 3.23Å; M203-W214 WeakPolarHBondContact SD-CZ3 3.41Å
204M88.7Confident83.7Confident119 Ų11952.7 Ų52.759%0.58627%0.266SS*.EExtended strand (participates in β ladder)trans-120.3120170.8-175.2178.6-71.500108.5K206 H210M204-K206 PolarHBondContact O-N 3.18Å; M204-H210 WeakPolarHBondContact CA-O 3.46Å
205C85.7Confident83.8Confident1 Ų153.7 Ų53.71%0.00727%0.268CS..  trans-63.4118.1178.2179.80000110.1C187 C190 I194 N207 C208 K209 H210 F212C187-C205 HydrophobicContact CB-CB 4.36Å; C190-C205 VanDerWaalsContact SG-SG 3.61Å; I194-C205 HydrophobicContact CD1-CB 3.89Å; C205-N207 PolarHBondContact O-N 3.09Å; C205-C208 VanDerWaalsContact CB-SG 3.59Å; C205-C208 PolarHBondContact SG-N 3.47Å; C205-K209 WeakPolarHBondContact O-CA 3.19Å; C205-K209 PolarHBondContact O-N 2.98Å; C205-H210 HydrophobicContact CB-CB 4.49Å; C205-H210 PolarHBondContact N-O 3.1Å; C205-F212 HydrophobicContact CB-CE1 4.37Å
206K83.1Confident83.8Confident146 Ų14649.8 Ų49.864%0.63526%0.255SS*.THydrogen-bonded Turntrans-59.5-31.2179.8-67.2-179.7-177.6168.50112.4D197 M204 K209D197-K206 IonicContact OD2-NZ 3.17Å; M204-K206 PolarHBondContact O-N 3.18Å; K206-K209 WeakPolarHBondContact O-CE 3.25Å; K206-K209 PolarHBondContact O-NZ 2.84Å
207N76.9Confident84Confident34 Ų3450.4 Ų50.418%0.18226%0.262CS..THydrogen-bonded Turntrans-77.1-57.7-179.3-174.335.2000113.6R100 V192 C205R100-N207 PolarHBondContact NH2-O 3.33Å; V192-N207 HydrophobicContact CG1-CB 3.98Å; C205-N207 PolarHBondContact O-N 3.09Å
208C76.4Confident84.8Confident15 Ų1551 Ų5110%0.10126%0.262CS..THydrogen-bonded Turntrans-103.21.5-175.273.60000115L104 C187 C190 C205 H210L104-C208 HydrophobicContact CD2-CB 3.99Å; C187-C208 VanDerWaalsContact SG-SG 3.66Å; C190-C208 HydrophobicContact CB-CB 4.08Å; C190-C208 VanDerWaalsContact SG-CB 3.57Å; C190-C208 PolarHBondContact SG-SG 3.46Å; C205-C208 VanDerWaalsContact CB-SG 3.59Å; C205-C208 PolarHBondContact SG-N 3.47Å; C208-H210 PolarHBondContact O-N 2.84Å; C208-H210 WeakPolarHBondContact SG-CB 3.23Å
209K84.2Confident85.6Confident99 Ų9944.7 Ų44.743%0.4324%0.239SC..  trans58.59.3-177.8-49.1-55.2-172.4-166.90115.7E60 C205 K206 A211E60-K209 IonicContact OE1-NZ 2.6Å; C205-K209 WeakPolarHBondContact O-CA 3.19Å; C205-K209 PolarHBondContact O-N 2.98Å; K206-K209 WeakPolarHBondContact O-CE 3.25Å; K206-K209 PolarHBondContact O-NZ 2.84Å; K209-A211 PolarHBondContact O-N 3.31Å
210H85.2Confident86.2Confident13 Ų1342.7 Ų42.76%0.0622%0.218CC..  trans-64.5124.8175-176.859.8000111.1K189 M204 C205 C208 F212 S219 D221K189-H210 HydrophobicContact CB-CB 4Å; K189-H210 HydrophobicContact CD-CB 3.71Å; M204-H210 WeakPolarHBondContact CA-O 3.46Å; C205-H210 HydrophobicContact CB-CB 4.49Å; C205-H210 PolarHBondContact N-O 3.1Å; C208-H210 PolarHBondContact O-N 2.84Å; C208-H210 WeakPolarHBondContact SG-CB 3.23Å; H210-F212 AromaticContact CD2-CD1 3.98Å; H210-S219 PolarHBondContact CE1-OG 3.08Å; H210-S219 VanDerWaalsContact CE1-OG 3.25Å; H210-D221 IonicContact CE1-OD2 3.94Å; H210-D221 PolarHBondContact CE1-OD2 3.25Å; H210-D221 IonicContact CG-OD2 2.73Å; H210-D221 VanDerWaalsContact ND1-CG 3.34Å; H210-D221 IonicContact ND1-OD1 3.42Å; H210-D221 PolarHBondContact ND1-OD1 3.3Å; H210-D221 IonicContact ND1-OD2 3.99Å; H210-D221 PolarHBondContact ND1-OD2 3.36Å
211A89.8Confident86.1Confident6 Ų643.5 Ų43.55%0.0522%0.219CC..EExtended strand (participates in β ladder)trans-87131.7171.300000109.7M203 K209 L220 D221M203-A211 CarbonylContact O-C 3.55Å; M203-A211 VanDerWaalsContact O-CA 3.27Å; M203-A211 WeakPolarHBondContact O-CA 3.45Å; K209-A211 PolarHBondContact O-N 3.31Å; A211-L220 HydrophobicContact CB-CB 4.28Å; A211-L220 PolarHBondContact O-N 3.35Å; A211-D221 PolarHBondContact N-OD1 3.45Å
212F90.8Very high85.7Confident0 Ų050.1 Ų50.10%025%0.254CS..EExtended strand (participates in β ladder)trans-150.9161.1-179.366-82.1000112P188 I194 M203 C205 H210 W214 L217 E218P188-F212 HydrophobicContact CG-CB 3.73Å; P188-F212 HydrophobicContact CG-CD1 4.16Å; P188-F212 HydrophobicContact CG-CD2 3.91Å; P188-F212 HydrophobicContact CG-CG 3.66Å; I194-F212 HydrophobicContact CD1-CE1 3.63Å; I194-F212 HydrophobicContact CD1-CZ 3.55Å; M203-F212 HydrophobicContact CB-CD1 4.47Å; M203-F212 HydrophobicContact CB-CE1 3.95Å; M203-F212 HydrophobicContact CB-CE2 4.14Å; M203-F212 HydrophobicContact CB-CZ 3.75Å; M203-F212 PolarHBondContact N-O 2.76Å; M203-F212 PolarHBondContact O-N 3.49Å; C205-F212 HydrophobicContact CB-CE1 4.37Å; H210-F212 AromaticContact CD2-CD1 3.98Å; F212-W214 HydrophobicContact CE2-CE3 4.32Å; F212-L217 HydrophobicContact CD2-CD2 4.03Å; F212-L217 HydrophobicContact CE2-CD2 3.93Å; F212-E218 CarbonylContact C-O 3.58Å; F212-E218 WeakPolarHBondContact CA-O 3.29Å; F212-E218 WeakPolarHBondContact CB-O 3.3Å
213C89.7Confident85.3Confident0 Ų048.5 Ų48.50%025%0.248CC..EExtended strand (participates in β ladder)trans-82.5130175178.40000110.9Y215 C216 L217 E218 L220 H228C213-Y215 VanDerWaalsContact C-N 3.27Å; C213-Y215 PolarHBondContact O-N 3.22Å; C213-C216 WeakPolarHBondContact CB-SG 3.39Å; C213-C216 VanDerWaalsContact SG-SG 3.61Å; C213-L217 WeakPolarHBondContact O-CA 3.25Å; C213-L217 PolarHBondContact O-N 3.24Å; C213-E218 PolarHBondContact N-O 2.83Å; C213-L220 HydrophobicContact CB-CD1 3.98Å; C213-L220 HydrophobicContact CB-CG 4.35Å; C213-H228 PolarHBondContact SG-NE2 2.85Å
214W89.4Confident84.5Confident0 Ų054.1 Ų54.10%027%0.272CS..THydrogen-bonded Turntrans-60.8-33.5-179.8-176.8-110.6000114.2A182 K185 I194 R196 A201 M203 F212A182-W214 WeakPolarHBondContact O-CZ2 3.23Å; K185-W214 HydrophobicContact CB-CE3 4.14Å; K185-W214 HydrophobicContact CB-CH2 3.59Å; K185-W214 HydrophobicContact CB-CZ2 4.12Å; K185-W214 HydrophobicContact CB-CZ3 3.56Å; K185-W214 HydrophobicContact CD-CD2 3.78Å; K185-W214 HydrophobicContact CD-CE3 3.93Å; K185-W214 HydrophobicContact CD-CG 4.49Å; K185-W214 HydrophobicContact CD-CH2 4.1Å; K185-W214 HydrophobicContact CD-CZ2 3.82Å; K185-W214 HydrophobicContact CD-CZ3 4.12Å; K185-W214 WeakPolarHBondContact CD-O 3.2Å; K185-W214 HydrophobicContact CG-CD2 4.36Å; K185-W214 HydrophobicContact CG-CE3 4.25Å; K185-W214 HydrophobicContact CG-CH2 3.59Å; K185-W214 HydrophobicContact CG-CZ2 3.57Å; K185-W214 HydrophobicContact CG-CZ3 3.91Å; K185-W214 PolarHBondContact NZ-O 3.27Å; I194-W214 HydrophobicContact CG2-CZ3 4.28Å; I194-W214 WeakPolarHBondContact O-CH2 3.42Å; R196-W214 HydrophobicContact CB-CH2 3.86Å; R196-W214 HydrophobicContact CB-CZ2 3.59Å; R196-W214 HydrophobicContact CG-CZ2 4.35Å; A201-W214 WeakPolarHBondContact O-CB 3.12Å; A201-W214 PolarHBondContact O-N 3.02Å; M203-W214 HydrophobicContact CE-CZ3 4.37Å; M203-W214 HydrophobicContact CG-CB 4.32Å; M203-W214 HydrophobicContact CG-CE3 4.1Å; M203-W214 HydrophobicContact SD-CB 4.48Å; M203-W214 HydrophobicContact SD-CD2 3.77Å; M203-W214 HydrophobicContact SD-CE3 3Å; M203-W214 HydrophobicContact SD-CG 4.42Å; M203-W214 HydrophobicContact SD-CH2 4.17Å; M203-W214 HydrophobicContact SD-CZ3 3.23Å; M203-W214 WeakPolarHBondContact SD-CZ3 3.41Å; F212-W214 HydrophobicContact CE2-CE3 4.32Å
215Y87.1Confident84Confident41 Ų4153.8 Ų53.816%0.16127%0.272CS..THydrogen-bonded Turntrans-82.3-51.5-173.9-59.2-73.8000111.9D180 R196 A201 C213 K237D180-Y215 HydrophobicContact CB-CD1 4.22Å; R196-Y215 PolarHBondContact NH2-OH 3.49Å; A201-Y215 HydrophobicContact CB-CD2 3.97Å; A201-Y215 HydrophobicContact CB-CE2 3.42Å; A201-Y215 VanDerWaalsContact CB-CE2 3.42Å; C213-Y215 VanDerWaalsContact C-N 3.27Å; C213-Y215 PolarHBondContact O-N 3.22Å; Y215-K237 HydrophobicContact CD1-CD 4.21Å; Y215-K237 HydrophobicContact CD2-CB 3.8Å; Y215-K237 HydrophobicContact CD2-CD 3.78Å; Y215-K237 HydrophobicContact CD2-CG 4.47Å; Y215-K237 HydrophobicContact CE1-CD 4.28Å; Y215-K237 HydrophobicContact CE2-CB 3.4Å; Y215-K237 VanDerWaalsContact CE2-CB 3.4Å; Y215-K237 HydrophobicContact CE2-CD 3.85Å; Y215-K237 HydrophobicContact CE2-CG 4.25Å; Y215-K237 WeakPolarHBondContact CE2-O 3.47Å; Y215-K237 HydrophobicContact CG-CD 3.95Å
216C86.7Confident83.7Confident53 Ų5354.3 Ų54.336%0.35828%0.275SS..THydrogen-bonded Turntrans-97.9-7.1-176.565.30000114.5C213 E218 H228 C234C213-C216 WeakPolarHBondContact CB-SG 3.39Å; C213-C216 VanDerWaalsContact SG-SG 3.61Å; C216-E218 PolarHBondContact O-N 3.17Å; C216-E218 VanDerWaalsContact O-N 3.11Å; C216-E218 WeakPolarHBondContact SG-CB 3.34Å; C216-H228 PolarHBondContact SG-CE1 3.48Å; C216-H228 PolarHBondContact SG-NE2 2.71Å; C216-C234 VanDerWaalsContact SG-SG 3.69Å
217L86.9Confident83.7Confident69 Ų6951.5 Ų51.536%0.36127%0.266SS..  trans58.119.5-176.6-53.4177.6000114.3K185 P188 F212 C213K185-L217 HydrophobicContact CD-CD2 4.2Å; P188-L217 HydrophobicContact CB-CB 4.26Å; P188-L217 WeakPolarHBondContact CB-O 3.27Å; P188-L217 HydrophobicContact CG-CB 4.43Å; P188-L217 WeakPolarHBondContact CG-O 3.34Å; F212-L217 HydrophobicContact CD2-CD2 4.03Å; F212-L217 HydrophobicContact CE2-CD2 3.93Å; C213-L217 WeakPolarHBondContact O-CA 3.25Å; C213-L217 PolarHBondContact O-N 3.24Å
218E85.8Confident84.2Confident115 Ų11551.6 Ų51.654%0.53727%0.265SS..  trans-77.6145.3176.9-164.8167.9-160.100110.9F212 C213 C216 H228F212-E218 CarbonylContact C-O 3.58Å; F212-E218 WeakPolarHBondContact CA-O 3.29Å; F212-E218 WeakPolarHBondContact CB-O 3.3Å; C213-E218 PolarHBondContact N-O 2.83Å; C216-E218 PolarHBondContact O-N 3.17Å; C216-E218 VanDerWaalsContact O-N 3.11Å; C216-E218 WeakPolarHBondContact SG-CB 3.34Å; E218-H228 IonicContact OE2-CE1 3.38Å; E218-H228 PolarHBondContact OE2-CE1 3.42Å; E218-H228 IonicContact OE2-ND1 3.89Å; E218-H228 PolarHBondContact OE2-ND1 2.67Å
219S87.1Confident84.7Confident62 Ų6251.1 Ų51.143%0.43426%0.261SS..BIsolated β-bridgetrans-62.1132.8177.2-179.60000111H210 D221H210-S219 PolarHBondContact CE1-OG 3.08Å; H210-S219 VanDerWaalsContact CE1-OG 3.25Å; S219-D221 PolarHBondContact OG-N 3.14Å
220L88.1Confident84.7Confident6 Ų649.2 Ų49.23%0.03126%0.256CS..  trans-117.614.1173.1-61.1179.6000111.9Q202 A211 C213 D222 D223 H228 Y229Q202-L220 HydrophobicContact CB-CD1 4.25Å; Q202-L220 HydrophobicContact CG-CD1 3.92Å; A211-L220 HydrophobicContact CB-CB 4.28Å; A211-L220 PolarHBondContact O-N 3.35Å; C213-L220 HydrophobicContact CB-CD1 3.98Å; C213-L220 HydrophobicContact CB-CG 4.35Å; L220-D222 PolarHBondContact O-N 3.02Å; L220-D223 HydrophobicContact CB-CB 4.49Å; L220-D223 HydrophobicContact CD2-CB 4.08Å; L220-D223 PolarHBondContact O-N 2.87Å; L220-H228 HydrophobicContact CD2-CB 3.57Å; L220-Y229 HydrophobicContact CD1-CE2 3.99Å
221D81.1Confident84.5Confident55 Ų5556.5 Ų56.529%0.29429%0.287SS..THydrogen-bonded Turntrans-56-37.1-178.4-74.8-21.9000112H210 A211 S219 F224H210-D221 IonicContact CE1-OD2 3.94Å; H210-D221 PolarHBondContact CE1-OD2 3.25Å; H210-D221 IonicContact CG-OD2 2.73Å; H210-D221 VanDerWaalsContact ND1-CG 3.34Å; H210-D221 IonicContact ND1-OD1 3.42Å; H210-D221 PolarHBondContact ND1-OD1 3.3Å; H210-D221 IonicContact ND1-OD2 3.99Å; H210-D221 PolarHBondContact ND1-OD2 3.36Å; A211-D221 PolarHBondContact N-OD1 3.45Å; S219-D221 PolarHBondContact OG-N 3.14Å; D221-F224 WeakPolarHBondContact O-CZ 3.45Å
222D80.5Confident84.1Confident138 Ų13859 Ų5974%0.73831%0.313SS*.THydrogen-bonded Turntrans-100.2-5179.7-62.5-49.6000113.9L220 F224L220-D222 PolarHBondContact O-N 3.02Å; D222-F224 VanDerWaalsContact C-N 3.28Å; D222-F224 VanDerWaalsContact O-CD2 3.23Å; D222-F224 WeakPolarHBondContact O-CD2 3.3Å; D222-F224 PolarHBondContact O-N 3.1Å; D222-F224 VanDerWaalsContact O-N 3.12Å
223D79.2Confident83.8Confident30 Ų3064.3 Ų64.316%0.1635%0.348CS..  trans-91.359.6-178.5-170.916.5000111.7L220 L225 L226 I227 H228L220-D223 HydrophobicContact CB-CB 4.49Å; L220-D223 HydrophobicContact CD2-CB 4.08Å; L220-D223 PolarHBondContact O-N 2.87Å; D223-L225 PolarHBondContact O-N 2.99Å; D223-L226 PolarHBondContact O-N 3.05Å; D223-L226 PolarHBondContact OD1-N 3.14Å; D223-L226 VanDerWaalsContact OD1-N 3.14Å; D223-L226 WeakPolarHBondContact OD2-CA 3.07Å; D223-I227 VanDerWaalsContact CG-N 3.34Å; D223-I227 PolarHBondContact OD1-N 3.29Å; D223-I227 PolarHBondContact OD2-N 3.47Å; D223-H228 WeakPolarHBondContact OD2-CB 3.07Å; D223-H228 PolarHBondContact OD2-N 2.86Å
224F72.1Confident83.6Confident134 Ų13464.5 Ų64.559%0.58835%0.349SS*.THydrogen-bonded Turntrans-59.1-21.8-178.5-56.4-76.2000114.1D221 D222 R249D221-F224 WeakPolarHBondContact O-CZ 3.45Å; D222-F224 VanDerWaalsContact C-N 3.28Å; D222-F224 VanDerWaalsContact O-CD2 3.23Å; D222-F224 WeakPolarHBondContact O-CD2 3.3Å; D222-F224 PolarHBondContact O-N 3.1Å; D222-F224 VanDerWaalsContact O-N 3.12Å; F224-R249 PolarHBondContact O-NH1 2.81Å
225L77.6Confident83.4Confident112 Ų11271.9 Ų71.959%0.58638%0.377SS*.THydrogen-bonded Turntrans-94.5-5.7-179.2-69.1179.4000112.6D223 I227 R242D223-L225 PolarHBondContact O-N 2.99Å; L225-I227 HydrophobicContact CB-CD1 3.85Å; L225-I227 HydrophobicContact CB-CG1 3.7Å; L225-I227 HydrophobicContact CD1-CD1 4.03Å; L225-I227 PolarHBondContact O-N 3.22Å; L225-R242 PolarHBondContact O-NE 3.09Å; L225-R242 PolarHBondContact O-NH2 3.46Å
226L80.3Confident83.1Confident12 Ų1276.2 Ų76.26%0.06340%0.403CS..  trans60.934.3-178-47.1175.1000112.3Q202 D223 H228 Y229 L238Q202-L226 HydrophobicContact CG-CD2 4.5Å; D223-L226 PolarHBondContact O-N 3.05Å; D223-L226 PolarHBondContact OD1-N 3.14Å; D223-L226 VanDerWaalsContact OD1-N 3.14Å; D223-L226 WeakPolarHBondContact OD2-CA 3.07Å; L226-H228 PolarHBondContact O-N 3.49Å; L226-Y229 HydrophobicContact CB-CD2 4.16Å; L226-Y229 PolarHBondContact O-N 2.6Å; L226-L238 HydrophobicContact CD1-CD1 4.27Å; L226-L238 HydrophobicContact CD1-CD2 3.77Å
227I83.6Confident83Confident88 Ų8877 Ų7745%0.45140%0.401SS..G310 helixtrans-65.9-26.2-179.7-61.8166000110.6D223 L225 Y229 D230D223-I227 VanDerWaalsContact CG-N 3.34Å; D223-I227 PolarHBondContact OD1-N 3.29Å; D223-I227 PolarHBondContact OD2-N 3.47Å; L225-I227 HydrophobicContact CB-CD1 3.85Å; L225-I227 HydrophobicContact CB-CG1 3.7Å; L225-I227 HydrophobicContact CD1-CD1 4.03Å; L225-I227 PolarHBondContact O-N 3.22Å; I227-Y229 PolarHBondContact O-N 2.93Å; I227-Y229 VanDerWaalsContact O-N 3.08Å; I227-D230 WeakPolarHBondContact O-CB 3.05Å; I227-D230 PolarHBondContact O-N 3.32Å
228H87.3Confident82.9Confident36 Ų3674.1 Ų74.117%0.16739%0.386CS..G310 helixtrans-50.1-33.9173.4179.383.5000112.4C213 C216 E218 L220 D223 L226 D230 C234C213-H228 PolarHBondContact SG-NE2 2.85Å; C216-H228 PolarHBondContact SG-CE1 3.48Å; C216-H228 PolarHBondContact SG-NE2 2.71Å; E218-H228 IonicContact OE2-CE1 3.38Å; E218-H228 PolarHBondContact OE2-CE1 3.42Å; E218-H228 IonicContact OE2-ND1 3.89Å; E218-H228 PolarHBondContact OE2-ND1 2.67Å; L220-H228 HydrophobicContact CD2-CB 3.57Å; D223-H228 WeakPolarHBondContact OD2-CB 3.07Å; D223-H228 PolarHBondContact OD2-N 2.86Å; L226-H228 PolarHBondContact O-N 3.49Å; H228-D230 VanDerWaalsContact C-N 3.33Å; H228-D230 PolarHBondContact O-N 3.43Å; H228-C234 WeakPolarHBondContact NE2-CB 3.33Å; H228-C234 PolarHBondContact NE2-SG 3.48Å
229Y86.6Confident82.4Confident4 Ų471.4 Ų71.42%0.01639%0.388CS..G310 helixtrans-85.73.7-179.4-63.1-85000114.6A201 Q202 L220 L226 I227 C234 R235 N236 L238A201-Y229 HydrophobicContact CB-CE1 3.89Å; A201-Y229 PolarHBondContact O-OH 3.32Å; Q202-Y229 PolarHBondContact N-OH 3.25Å; Q202-Y229 VanDerWaalsContact N-OH 3.14Å; L220-Y229 HydrophobicContact CD1-CE2 3.99Å; L226-Y229 HydrophobicContact CB-CD2 4.16Å; L226-Y229 PolarHBondContact O-N 2.6Å; I227-Y229 PolarHBondContact O-N 2.93Å; I227-Y229 VanDerWaalsContact O-N 3.08Å; Y229-C234 HydrophobicContact CD1-CB 4.48Å; Y229-C234 WeakPolarHBondContact CD1-O 2.96Å; Y229-R235 VanDerWaalsContact O-CA 3.25Å; Y229-R235 WeakPolarHBondContact O-CA 3.4Å; Y229-N236 PolarHBondContact O-N 3.43Å; Y229-L238 HydrophobicContact CD1-CB 3.84Å; Y229-L238 HydrophobicContact CD1-CD1 4.39Å; Y229-L238 HydrophobicContact CD2-CB 4.32Å; Y229-L238 HydrophobicContact CD2-CD1 3.72Å; Y229-L238 HydrophobicContact CD2-CG 4.47Å; Y229-L238 HydrophobicContact CE1-CB 4.19Å; Y229-L238 HydrophobicContact CE1-CD1 4.17Å; Y229-L238 HydrophobicContact CE2-CD1 3.45Å; Y229-L238 VanDerWaalsContact CE2-CD1 3.45Å; Y229-L238 HydrophobicContact CG-CB 3.91Å; Y229-L238 HydrophobicContact CG-CD1 4.18Å
230D84.3Confident81.8Confident59 Ų5971.4 Ų71.432%0.31638%0.381SS..G310 helixtrans-91.7-22178.9-69.6-25.9000113.5I227 H228 R235 R242I227-D230 WeakPolarHBondContact O-CB 3.05Å; I227-D230 PolarHBondContact O-N 3.32Å; H228-D230 VanDerWaalsContact C-N 3.33Å; H228-D230 PolarHBondContact O-N 3.43Å; D230-R235 WeakPolarHBondContact O-CD 3.48Å; D230-R235 PolarHBondContact O-NE 2.83Å; D230-R242 IonicContact OD1-CZ 3.44Å; D230-R242 IonicContact OD1-NH1 3.56Å; D230-R242 PolarHBondContact OD1-NH1 3.5Å; D230-R242 IonicContact OD2-CZ 3.19Å; D230-R242 IonicContact OD2-NH1 3.71Å; D230-R242 PolarHBondContact OD2-NH1 2.87Å; D230-R242 IonicContact OD2-NH2 3.55Å
231K79.9Confident81Confident166 Ų16675 Ų7572%0.72241%0.406SS*.SBendtrans-141.8165.5-171.7-60.7-176.5-174.9175.30111.1
232G82.6Confident80.3Confident58 Ų5875.8 Ų75.860%0.59841%0.405SS*.G310 helixtrans68.3-160174.300000114.2C234 R235G232-C234 VanDerWaalsContact C-N 3.28Å; G232-C234 PolarHBondContact O-N 2.71Å; G232-R235 WeakPolarHBondContact O-CB 3.23Å; G232-R235 PolarHBondContact O-N 2.64Å
233P83.4Confident79.5Confident113 Ų11372.1 Ų72.173%0.73440%0.395SS*.G310 helixtrans-71.8-18.4-169.427.9-34.8000114.4K237P233-K237 WeakPolarHBondContact O-CE 3.36Å
234C86.4Confident78.8Confident3 Ų373.7 Ų73.72%0.0241%0.408CS..G310 helixtrans-95.64.9179.6-61.60000113C216 H228 Y229 G232 N236 K237C216-C234 VanDerWaalsContact SG-SG 3.69Å; H228-C234 WeakPolarHBondContact NE2-CB 3.33Å; H228-C234 PolarHBondContact NE2-SG 3.48Å; Y229-C234 HydrophobicContact CD1-CB 4.48Å; Y229-C234 WeakPolarHBondContact CD1-O 2.96Å; G232-C234 VanDerWaalsContact C-N 3.28Å; G232-C234 PolarHBondContact O-N 2.71Å; C234-N236 PolarHBondContact O-N 3.12Å; C234-K237 WeakPolarHBondContact O-CB 3.2Å; C234-K237 PolarHBondContact O-N 3.05Å; C234-K237 VanDerWaalsContact O-N 3.09Å
235R84.9Confident78.6Confident155 Ų15569.6 Ų69.659%0.58539%0.393SS*.THydrogen-bonded Turntrans-55.7130.6-177.2-175.8176.6177.6-169.4-0.7111.6Y229 D230 G232 K237Y229-R235 VanDerWaalsContact O-CA 3.25Å; Y229-R235 WeakPolarHBondContact O-CA 3.4Å; D230-R235 WeakPolarHBondContact O-CD 3.48Å; D230-R235 PolarHBondContact O-NE 2.83Å; G232-R235 WeakPolarHBondContact O-CB 3.23Å; G232-R235 PolarHBondContact O-N 2.64Å; R235-K237 PolarHBondContact O-N 2.89Å
236N81.8Confident78.1Confident133 Ų13368.7 Ų68.771%0.71139%0.388SS*.THydrogen-bonded Turntrans61.910.5-179.1-56.1-36.4000115.9Y229 C234 L238Y229-N236 PolarHBondContact O-N 3.43Å; C234-N236 PolarHBondContact O-N 3.12Å; N236-L238 PolarHBondContact O-N 3.26Å
237K84.7Confident77.6Confident70 Ų7076.8 Ų76.830%0.30442%0.418SS..  trans-88.88.9-179.2-60.3-167.3176.3-176.50114.7D180 A201 Y215 P233 C234 R235 G239D180-K237 IonicContact OD2-NZ 2.71Å; D180-K237 PolarHBondContact OD2-NZ 3.22Å; D180-K237 VanDerWaalsContact OD2-NZ 3.17Å; A201-K237 WeakPolarHBondContact CB-O 3.33Å; Y215-K237 HydrophobicContact CD1-CD 4.21Å; Y215-K237 HydrophobicContact CD2-CB 3.8Å; Y215-K237 HydrophobicContact CD2-CD 3.78Å; Y215-K237 HydrophobicContact CD2-CG 4.47Å; Y215-K237 HydrophobicContact CE1-CD 4.28Å; Y215-K237 HydrophobicContact CE2-CB 3.4Å; Y215-K237 VanDerWaalsContact CE2-CB 3.4Å; Y215-K237 HydrophobicContact CE2-CD 3.85Å; Y215-K237 HydrophobicContact CE2-CG 4.25Å; Y215-K237 WeakPolarHBondContact CE2-O 3.47Å; Y215-K237 HydrophobicContact CG-CD 3.95Å; P233-K237 WeakPolarHBondContact O-CE 3.36Å; C234-K237 WeakPolarHBondContact O-CB 3.2Å; C234-K237 PolarHBondContact O-N 3.05Å; C234-K237 VanDerWaalsContact O-N 3.09Å; R235-K237 PolarHBondContact O-N 2.89Å; K237-G239 VanDerWaalsContact C-N 3.28Å; K237-G239 PolarHBondContact O-N 3.25Å
238L82.8Confident76.9Confident8 Ų878.4 Ų78.44%0.04242%0.423CS..SBendtrans-62.5-31.3-175-175.365.7000113.6C200 A201 Q202 L226 Y229 N236 H240 R242C200-L238 WeakPolarHBondContact CA-O 3.36Å; A201-L238 PolarHBondContact N-O 2.76Å; Q202-L238 HydrophobicContact CB-CD1 4.13Å; L226-L238 HydrophobicContact CD1-CD1 4.27Å; L226-L238 HydrophobicContact CD1-CD2 3.77Å; Y229-L238 HydrophobicContact CD1-CB 3.84Å; Y229-L238 HydrophobicContact CD1-CD1 4.39Å; Y229-L238 HydrophobicContact CD2-CB 4.32Å; Y229-L238 HydrophobicContact CD2-CD1 3.72Å; Y229-L238 HydrophobicContact CD2-CG 4.47Å; Y229-L238 HydrophobicContact CE1-CB 4.19Å; Y229-L238 HydrophobicContact CE1-CD1 4.17Å; Y229-L238 HydrophobicContact CE2-CD1 3.45Å; Y229-L238 VanDerWaalsContact CE2-CD1 3.45Å; Y229-L238 HydrophobicContact CG-CB 3.91Å; Y229-L238 HydrophobicContact CG-CD1 4.18Å; N236-L238 PolarHBondContact O-N 3.26Å; L238-H240 VanDerWaalsContact CG-CE1 3.42Å; L238-H240 WeakPolarHBondContact CG-CE1 3.48Å; L238-R242 HydrophobicContact CD2-CG 3.83Å
239G77.3Confident76.4Confident57 Ų5783.5 Ų83.559%0.58844%0.441SS*.SBendtrans89.9-9.5178.300000115.5G199 K237G199-G239 CarbonylContact O-C 3.23Å; G199-G239 VanDerWaalsContact O-C 3.23Å; G199-G239 VanDerWaalsContact O-CA 3.3Å; G199-G239 WeakPolarHBondContact O-CA 3.31Å; K237-G239 VanDerWaalsContact C-N 3.28Å; K237-G239 PolarHBondContact O-N 3.25Å
240H74.1Confident76Confident63 Ų6387.1 Ų87.129%0.29246%0.464SS..SBendtrans-144.7163.2174.263.5-78.6000111.6C200 L238 R242 V245C200-H240 PolarHBondContact SG-CE1 3.47Å; L238-H240 VanDerWaalsContact CG-CE1 3.42Å; L238-H240 WeakPolarHBondContact CG-CE1 3.48Å; H240-R242 PolarHBondContact O-N 3.24Å; H240-V245 WeakPolarHBondContact NE2-CG2 3.43Å
241S70.3Confident75.9Confident80 Ų8088.7 Ų88.756%0.55947%0.47SS*.  trans-74.6125.4179-178.90000110.9A243 S244S241-A243 PolarHBondContact O-N 3.25Å; S241-A243 VanDerWaalsContact O-N 3.14Å; S241-A243 PolarHBondContact OG-N 3.41Å; S241-S244 WeakPolarHBondContact O-CB 2.92Å; S241-S244 PolarHBondContact O-N 3.31Å; S241-S244 PolarHBondContact O-OG 2.79Å
242R66Low76.1Confident72 Ų7283.2 Ų83.227%0.27245%0.45SS..Hα-helixtrans-56.1-29.6175.6-68.1174.471.1-172.25.4112.8L225 D230 L238 H240 S244 V245 I246L225-R242 PolarHBondContact O-NE 3.09Å; L225-R242 PolarHBondContact O-NH2 3.46Å; D230-R242 IonicContact OD1-CZ 3.44Å; D230-R242 IonicContact OD1-NH1 3.56Å; D230-R242 PolarHBondContact OD1-NH1 3.5Å; D230-R242 IonicContact OD2-CZ 3.19Å; D230-R242 IonicContact OD2-NH1 3.71Å; D230-R242 PolarHBondContact OD2-NH1 2.87Å; D230-R242 IonicContact OD2-NH2 3.55Å; L238-R242 HydrophobicContact CD2-CG 3.83Å; H240-R242 PolarHBondContact O-N 3.24Å; R242-S244 PolarHBondContact O-N 2.92Å; R242-V245 PolarHBondContact O-N 3.14Å; R242-I246 WeakPolarHBondContact O-CG1 3.39Å; R242-I246 PolarHBondContact O-N 3.38Å
243A63.5Low76.2Confident62 Ų6285.3 Ų85.351%0.51245%0.451SS..Hα-helixtrans-58.7-35.2175.200000111.5S241 W247S241-A243 PolarHBondContact O-N 3.25Å; S241-A243 VanDerWaalsContact O-N 3.14Å; S241-A243 PolarHBondContact OG-N 3.41Å; A243-W247 WeakPolarHBondContact O-CA 3.27Å; A243-W247 WeakPolarHBondContact O-CB 3.39Å; A243-W247 PolarHBondContact O-N 2.62Å
244S65.6Low76.5Confident62 Ų6282 Ų8243%0.43444%0.437SS..Hα-helixtrans-66.6-40.1178.568.50000112.9S241 R242 H248S241-S244 WeakPolarHBondContact O-CB 2.92Å; S241-S244 PolarHBondContact O-N 3.31Å; S241-S244 PolarHBondContact O-OG 2.79Å; R242-S244 PolarHBondContact O-N 2.92Å; S244-H248 VanDerWaalsContact O-CB 3.27Å; S244-H248 WeakPolarHBondContact O-CB 3.18Å; S244-H248 PolarHBondContact O-N 3.06Å
245V66.9Low76.6Confident48 Ų4885.6 Ų85.629%0.29146%0.455SS..Hα-helixtrans-71.9-44.3179.3-1800000111.1H240 R242 H248 R249H240-V245 WeakPolarHBondContact NE2-CG2 3.43Å; R242-V245 PolarHBondContact O-N 3.14Å; V245-H248 PolarHBondContact O-N 2.98Å; V245-R249 WeakPolarHBondContact O-CB 3.45Å; V245-R249 WeakPolarHBondContact O-CG 3.44Å; V245-R249 PolarHBondContact O-N 3.47Å
246I68.9Low76.9Confident93 Ų9385.3 Ų85.348%0.47746%0.458SS..Hα-helixtrans-66.1-43.6176.9-64171.9000109.9R242 R249 T250R242-I246 WeakPolarHBondContact O-CG1 3.39Å; R242-I246 PolarHBondContact O-N 3.38Å; I246-R249 PolarHBondContact O-N 3.28Å; I246-T250 HydrophobicContact CG2-CG2 4.36Å; I246-T250 WeakPolarHBondContact O-CG2 3.5Å; I246-T250 PolarHBondContact O-N 3.29Å; I246-T250 PolarHBondContact O-OG1 3.14Å
247W69.4Low77.3Confident182 Ų18282 Ų8269%0.68945%0.449SS*.Hα-helixtrans-60.2-45.5175.7-174.5-86.6000111.7A243 R249 T250 Q251A243-W247 WeakPolarHBondContact O-CA 3.27Å; A243-W247 WeakPolarHBondContact O-CB 3.39Å; A243-W247 PolarHBondContact O-N 2.62Å; W247-R249 PolarHBondContact O-N 3.42Å; W247-T250 WeakPolarHBondContact CA-OG1 3.47Å; W247-T250 PolarHBondContact O-N 2.83Å; W247-T250 PolarHBondContact O-OG1 2.98Å; W247-Q251 WeakPolarHBondContact O-CA 3.19Å; W247-Q251 WeakPolarHBondContact O-CB 3.41Å; W247-Q251 PolarHBondContact O-N 3.42Å
248H69.3Low77.7Confident122 Ų12280.5 Ų80.557%0.56545%0.454SS*.Hα-helixtrans-63.1-42.5177.1-168.2-84.1000111.4S244 V245 V252S244-H248 VanDerWaalsContact O-CB 3.27Å; S244-H248 WeakPolarHBondContact O-CB 3.18Å; S244-H248 PolarHBondContact O-N 3.06Å; V245-H248 PolarHBondContact O-N 2.98Å; H248-V252 WeakPolarHBondContact O-CB 3.01Å; H248-V252 WeakPolarHBondContact O-CG2 3.48Å; H248-V252 PolarHBondContact O-N 2.98Å
249R76.1Confident78.2Confident143 Ų14386.3 Ų86.354%0.5448%0.479SS..Hα-helixtrans-62.9-46.5176.2-78.1178143.2178.4-5.7112.5F224 V245 I246 W247 V253F224-R249 PolarHBondContact O-NH1 2.81Å; V245-R249 WeakPolarHBondContact O-CB 3.45Å; V245-R249 WeakPolarHBondContact O-CG 3.44Å; V245-R249 PolarHBondContact O-N 3.47Å; I246-R249 PolarHBondContact O-N 3.28Å; W247-R249 PolarHBondContact O-N 3.42Å; R249-V253 WeakPolarHBondContact O-CG2 3.38Å; R249-V253 PolarHBondContact O-N 3.47Å
250T78.3Confident78.9Confident81 Ų8185.3 Ų85.350%0.49747%0.468SS..Hα-helixtrans-72.1-34.3178.9530000112.3I246 W247 V253 G254I246-T250 HydrophobicContact CG2-CG2 4.36Å; I246-T250 WeakPolarHBondContact O-CG2 3.5Å; I246-T250 PolarHBondContact O-N 3.29Å; I246-T250 PolarHBondContact O-OG1 3.14Å; W247-T250 WeakPolarHBondContact CA-OG1 3.47Å; W247-T250 PolarHBondContact O-N 2.83Å; W247-T250 PolarHBondContact O-OG1 2.98Å; T250-V253 PolarHBondContact O-N 3.46Å; T250-G254 PolarHBondContact O-N 2.77Å
251Q81.1Confident79.8Confident92 Ų9287.8 Ų87.843%0.4348%0.483SS..Hα-helixtrans-62.6-45.9174.5-179.4176.711.400110.9W247 G254 I255W247-Q251 WeakPolarHBondContact O-CA 3.19Å; W247-Q251 WeakPolarHBondContact O-CB 3.41Å; W247-Q251 PolarHBondContact O-N 3.42Å; Q251-G254 PolarHBondContact O-N 2.86Å; Q251-I255 HydrophobicContact CG-CD1 3.82Å; Q251-I255 HydrophobicContact CG-CG1 4.42Å; Q251-I255 WeakPolarHBondContact O-CB 3.34Å; Q251-I255 WeakPolarHBondContact O-CG1 3.13Å; Q251-I255 PolarHBondContact O-N 3.2Å
252V84.4Confident81Confident51 Ų5189.1 Ų89.131%0.30948%0.483SS..Hα-helixtrans-62.1-46.9177.9171.20000110.9H248 G254 I255 F256H248-V252 WeakPolarHBondContact O-CB 3.01Å; H248-V252 WeakPolarHBondContact O-CG2 3.48Å; H248-V252 PolarHBondContact O-N 2.98Å; V252-G254 VanDerWaalsContact C-N 3.33Å; V252-G254 PolarHBondContact O-N 3.01Å; V252-I255 PolarHBondContact O-N 2.91Å; V252-F256 HydrophobicContact CG1-CD2 3.67Å; V252-F256 HydrophobicContact CG1-CE2 3.44Å; V252-F256 VanDerWaalsContact CG1-CE2 3.44Å; V252-F256 WeakPolarHBondContact O-CD2 3.34Å; V252-F256 PolarHBondContact O-N 3.29Å
253V85.5Confident82.2Confident102 Ų10290.9 Ų90.962%0.61850%0.497SS*.Hα-helixtrans-61-43176174.60000111.2R249 T250 F256 A257R249-V253 WeakPolarHBondContact O-CG2 3.38Å; R249-V253 PolarHBondContact O-N 3.47Å; T250-V253 PolarHBondContact O-N 3.46Å; V253-F256 PolarHBondContact O-N 2.84Å; V253-A257 WeakPolarHBondContact O-CB 3.47Å; V253-A257 PolarHBondContact O-N 3.38Å
254G88.4Confident83.6Confident42 Ų4294 Ų9443%0.43351%0.505SS..Hα-helixtrans-63.9-39.6177.200000113.1T250 Q251 V252 G258T250-G254 PolarHBondContact O-N 2.77Å; Q251-G254 PolarHBondContact O-N 2.86Å; V252-G254 VanDerWaalsContact C-N 3.33Å; V252-G254 PolarHBondContact O-N 3.01Å; G254-G258 PolarHBondContact O-N 3.44Å
255I90.1Very high85Confident80 Ų8095.2 Ų95.241%0.4151%0.51SS..Hα-helixtrans-61.9-50.3174.6-73.2167000109.8Q251 V252 A257 G258 F259Q251-I255 HydrophobicContact CG-CD1 3.82Å; Q251-I255 HydrophobicContact CG-CG1 4.42Å; Q251-I255 WeakPolarHBondContact O-CB 3.34Å; Q251-I255 WeakPolarHBondContact O-CG1 3.13Å; Q251-I255 PolarHBondContact O-N 3.2Å; V252-I255 PolarHBondContact O-N 2.91Å; I255-A257 PolarHBondContact O-N 2.85Å; I255-G258 PolarHBondContact O-N 3.27Å; I255-F259 HydrophobicContact CG2-CD2 3.57Å; I255-F259 HydrophobicContact CG2-CE2 3.68Å; I255-F259 VanDerWaalsContact O-CD2 3.3Å; I255-F259 WeakPolarHBondContact O-CD2 3.32Å; I255-F259 PolarHBondContact O-N 3.49Å
256F90Very high86.2Confident149 Ų14994.3 Ų94.365%0.65451%0.507SS*.Hα-helixtrans-63.8-42.5179.7-76.9-63.2000112.7V252 V253 G258 G260V252-F256 HydrophobicContact CG1-CD2 3.67Å; V252-F256 HydrophobicContact CG1-CE2 3.44Å; V252-F256 VanDerWaalsContact CG1-CE2 3.44Å; V252-F256 WeakPolarHBondContact O-CD2 3.34Å; V252-F256 PolarHBondContact O-N 3.29Å; V253-F256 PolarHBondContact O-N 2.84Å; F256-G258 VanDerWaalsContact C-N 3.35Å; F256-G260 PolarHBondContact O-N 2.93Å
257A90Very high87.3Confident62 Ų6292.5 Ų92.551%0.51250%0.502SS..Hα-helixtrans-63.1-41.8175.100000111.8V253 I255 G260 L261V253-A257 WeakPolarHBondContact O-CB 3.47Å; V253-A257 PolarHBondContact O-N 3.38Å; I255-A257 PolarHBondContact O-N 2.85Å; A257-G260 PolarHBondContact O-N 3.35Å; A257-L261 WeakPolarHBondContact O-CB 3.3Å; A257-L261 PolarHBondContact O-N 3.49Å
258G93.5Very high88.3Confident39 Ų3987 Ų8740%0.40249%0.491SS..Hα-helixtrans-64.6-47177.700000112.7G254 I255 F256 G260 L261 L262G254-G258 PolarHBondContact O-N 3.44Å; I255-G258 PolarHBondContact O-N 3.27Å; F256-G258 VanDerWaalsContact C-N 3.35Å; G258-G260 VanDerWaalsContact C-N 3.34Å; G258-G260 PolarHBondContact O-N 2.93Å; G258-L261 PolarHBondContact O-N 3.47Å; G258-L262 WeakPolarHBondContact O-CB 3.36Å; G258-L262 PolarHBondContact O-N 3.48Å
259F92.4Very high89.3Confident131 Ų13188.1 Ų88.158%0.57549%0.494SS*.Hα-helixtrans-61.8-41.7173.7-88-72000111.9I255 L262 L263I255-F259 HydrophobicContact CG2-CD2 3.57Å; I255-F259 HydrophobicContact CG2-CE2 3.68Å; I255-F259 VanDerWaalsContact O-CD2 3.3Å; I255-F259 WeakPolarHBondContact O-CD2 3.32Å; I255-F259 PolarHBondContact O-N 3.49Å; F259-L262 PolarHBondContact O-N 3.39Å; F259-L263 WeakPolarHBondContact O-CB 3.17Å; F259-L263 WeakPolarHBondContact O-CG 3.34Å; F259-L263 PolarHBondContact O-N 2.92Å
260G92.4Very high89.8Confident35 Ų3586.5 Ų86.536%0.36150%0.495SS..Hα-helixtrans-59.9-45.9175.600000112.7F256 A257 G258 L263 L264F256-G260 PolarHBondContact O-N 2.93Å; A257-G260 PolarHBondContact O-N 3.35Å; G258-G260 VanDerWaalsContact C-N 3.34Å; G258-G260 PolarHBondContact O-N 2.93Å; G260-L263 PolarHBondContact O-N 2.82Å; G260-L264 PolarHBondContact O-N 3.25Å
261L94.3Very high90.3Very high116 Ų11688.3 Ų88.361%0.60750%0.502SS*.Hα-helixtrans-64.3-43.7176.5-173.872.6000111.7A257 G258 L263 L264 V265A257-L261 WeakPolarHBondContact O-CB 3.3Å; A257-L261 PolarHBondContact O-N 3.49Å; G258-L261 PolarHBondContact O-N 3.47Å; L261-L263 PolarHBondContact O-N 2.9Å; L261-L264 WeakPolarHBondContact O-CB 3.46Å; L261-L264 PolarHBondContact O-N 3.38Å; L261-V265 WeakPolarHBondContact O-CG2 3.47Å; L261-V265 PolarHBondContact O-N 3.27Å
262L94.2Very high90.6Very high107 Ų10789.9 Ų89.956%0.5651%0.512SS*.Hα-helixtrans-62.4-43179.5-172.1148.9000111.3G258 F259 V265 A266G258-L262 WeakPolarHBondContact O-CB 3.36Å; G258-L262 PolarHBondContact O-N 3.48Å; F259-L262 PolarHBondContact O-N 3.39Å; L262-V265 PolarHBondContact O-N 3.48Å; L262-A266 WeakPolarHBondContact O-CB 3.18Å; L262-A266 PolarHBondContact O-N 3.35Å
263L91.4Very high90.5Very high109 Ų10989.5 Ų89.557%0.57151%0.514SS*.Hα-helixtrans-64.2-40.3175.3-72.7173.2000112.1F259 G260 L261 V265 A266 S267F259-L263 WeakPolarHBondContact O-CB 3.17Å; F259-L263 WeakPolarHBondContact O-CG 3.34Å; F259-L263 PolarHBondContact O-N 2.92Å; G260-L263 PolarHBondContact O-N 2.82Å; L261-L263 PolarHBondContact O-N 2.9Å; L263-V265 PolarHBondContact O-N 2.96Å; L263-A266 PolarHBondContact O-N 3.36Å; L263-S267 WeakPolarHBondContact O-CB 3.49Å; L263-S267 PolarHBondContact O-N 2.9Å
264L94.1Very high90.3Very high129 Ų12987.8 Ų87.868%0.67550%0.504SS*.Hα-helixtrans-60.3-44.3174.7-94.7166.9000112.1G260 L261 P268G260-L264 PolarHBondContact O-N 3.25Å; L261-L264 WeakPolarHBondContact O-CB 3.46Å; L261-L264 PolarHBondContact O-N 3.38Å; L264-P268 VanDerWaalsContact O-CD 3.23Å; L264-P268 WeakPolarHBondContact O-CD 3.15Å
265V94.6Very high90Very high87 Ų8789.3 Ų89.353%0.52751%0.507SS..Hα-helixtrans-73.8-38179.9175.50000111.7L261 L262 L263 P268 F269L261-V265 WeakPolarHBondContact O-CG2 3.47Å; L261-V265 PolarHBondContact O-N 3.27Å; L262-V265 PolarHBondContact O-N 3.48Å; L263-V265 PolarHBondContact O-N 2.96Å; V265-P268 WeakPolarHBondContact O-CD 3.37Å; V265-F269 HydrophobicContact CG1-CE2 4.46Å; V265-F269 WeakPolarHBondContact O-CD2 3.39Å; V265-F269 WeakPolarHBondContact O-CE2 3.45Å
266A90.8Very high89.5Confident28 Ų2893.1 Ų93.123%0.23152%0.52CS..Hα-helixtrans-74.3-28-179.900000112.8L262 L263 F269 L270L262-A266 WeakPolarHBondContact O-CB 3.18Å; L262-A266 PolarHBondContact O-N 3.35Å; L263-A266 PolarHBondContact O-N 3.36Å; A266-F269 PolarHBondContact O-N 2.67Å; A266-L270 HydrophobicContact CB-CD1 4.31Å; A266-L270 WeakPolarHBondContact O-CG 3.38Å; A266-L270 PolarHBondContact O-N 3.27Å
267S92.3Very high88.9Confident55 Ų5590.3 Ų90.339%0.38552%0.515SS..Hα-helixtrans-53.1-48.9-176.2172.20000113.8L263 F269 L270 L271L263-S267 WeakPolarHBondContact O-CB 3.49Å; L263-S267 PolarHBondContact O-N 2.9Å; S267-F269 VanDerWaalsContact C-N 3.35Å; S267-F269 PolarHBondContact O-N 3.49Å; S267-L270 PolarHBondContact O-N 3.14Å; S267-L271 VanDerWaalsContact O-CG 3.32Å; S267-L271 WeakPolarHBondContact O-CG 3.27Å; S267-L271 PolarHBondContact O-N 3.07Å
268P92.1Very high88.2Confident68 Ų6892.3 Ų92.344%0.44252%0.517SS..Hα-helixtrans-57.2-41.5173.9-25.932.8000114.3L264 V265 L271 L272L264-P268 VanDerWaalsContact O-CD 3.23Å; L264-P268 WeakPolarHBondContact O-CD 3.15Å; V265-P268 WeakPolarHBondContact O-CD 3.37Å; P268-L271 PolarHBondContact O-N 3.34Å; P268-L272 VanDerWaalsContact O-CG 3.3Å; P268-L272 WeakPolarHBondContact O-CG 3.48Å; P268-L272 PolarHBondContact O-N 2.97Å
269F90.3Very high87.2Confident145 Ų14594.5 Ų94.564%0.63653%0.525SS*.Hα-helixtrans-71.2-38.5-180-62.5-80.2000111.8V265 A266 S267 L272 A273V265-F269 HydrophobicContact CG1-CE2 4.46Å; V265-F269 WeakPolarHBondContact O-CD2 3.39Å; V265-F269 WeakPolarHBondContact O-CE2 3.45Å; A266-F269 PolarHBondContact O-N 2.67Å; S267-F269 VanDerWaalsContact C-N 3.35Å; S267-F269 PolarHBondContact O-N 3.49Å; F269-L272 PolarHBondContact O-N 3.04Å; F269-A273 WeakPolarHBondContact O-CB 3.34Å; F269-A273 PolarHBondContact O-N 3.3Å
270L85.6Confident86Confident108 Ų10892.1 Ų92.157%0.56552%0.523SS*.Hα-helixtrans-64-42.8175-68.5174.9000110.9A266 S267 L272 A273 T274A266-L270 HydrophobicContact CB-CD1 4.31Å; A266-L270 WeakPolarHBondContact O-CG 3.38Å; A266-L270 PolarHBondContact O-N 3.27Å; S267-L270 PolarHBondContact O-N 3.14Å; L270-L272 VanDerWaalsContact C-N 3.34Å; L270-L272 PolarHBondContact O-N 3.34Å; L270-A273 PolarHBondContact O-N 2.99Å; L270-T274 PolarHBondContact O-N 3.47Å; L270-T274 PolarHBondContact O-OG1 2.91Å
271L88Confident84.7Confident120 Ų12097.9 Ų97.963%0.62854%0.539SS*.Hα-helixtrans-62.8-39.1175.7-70.9173.1000112.4S267 P268 P275S267-L271 VanDerWaalsContact O-CG 3.32Å; S267-L271 WeakPolarHBondContact O-CG 3.27Å; S267-L271 PolarHBondContact O-N 3.07Å; P268-L271 PolarHBondContact O-N 3.34Å; L271-P275 VanDerWaalsContact O-CD 3.24Å; L271-P275 WeakPolarHBondContact O-CD 3.44Å
272L87.6Confident82.9Confident124 Ų12496.4 Ų96.465%0.64954%0.537SS*.Hα-helixtrans-70.5-34.1175.8-71.3171.9000113.1P268 F269 L270 P275P268-L272 VanDerWaalsContact O-CG 3.3Å; P268-L272 WeakPolarHBondContact O-CG 3.48Å; P268-L272 PolarHBondContact O-N 2.97Å; F269-L272 PolarHBondContact O-N 3.04Å; L270-L272 VanDerWaalsContact C-N 3.34Å; L270-L272 PolarHBondContact O-N 3.34Å; L272-P275 WeakPolarHBondContact O-CD 3.24Å; L272-P275 WeakPolarHBondContact O-CG 3.41Å
273A82.3Confident81.1Confident43 Ų4399.3 Ų99.336%0.35555%0.545SS..Hα-helixtrans-76.4-24.7177.300000113.1F269 L270 F276 V277F269-A273 WeakPolarHBondContact O-CB 3.34Å; F269-A273 PolarHBondContact O-N 3.3Å; L270-A273 PolarHBondContact O-N 2.99Å; A273-F276 PolarHBondContact O-N 2.95Å; A273-F276 VanDerWaalsContact O-N 3.12Å; A273-V277 WeakPolarHBondContact O-CG2 3.37Å; A273-V277 PolarHBondContact O-N 2.97Å
274T82.9Confident79.3Confident66 Ų6699.1 Ų99.141%0.40555%0.552SS.*Hα-helixtrans-53.5-49.6-177.9-60.20000113.8L270 F276 V277 L278L270-T274 PolarHBondContact O-N 3.47Å; L270-T274 PolarHBondContact O-OG1 2.91Å; T274-F276 VanDerWaalsContact C-N 3.34Å; T274-F276 PolarHBondContact O-N 3.31Å; T274-V277 PolarHBondContact O-N 3.41Å; T274-L278 HydrophobicContact CG2-CD1 3.79Å; T274-L278 HydrophobicContact CG2-CG 4.36Å; T274-L278 WeakPolarHBondContact O-CB 3.2Å; T274-L278 VanDerWaalsContact O-CG 3.27Å; T274-L278 WeakPolarHBondContact O-CG 3.45Å; T274-L278 PolarHBondContact O-N 2.93Å
275P81.3Confident77.3Confident75 Ų75101.6 Ų101.649%0.48756%0.557SS.*Hα-helixtrans-64.7-33.9176.922.2-32.4000113.3L271 L272 C279L271-P275 VanDerWaalsContact O-CD 3.24Å; L271-P275 WeakPolarHBondContact O-CD 3.44Å; L272-P275 WeakPolarHBondContact O-CD 3.24Å; L272-P275 WeakPolarHBondContact O-CG 3.41Å; P275-C279 WeakPolarHBondContact O-CB 3.32Å; P275-C279 PolarHBondContact O-N 3.41Å
276F79.3Confident75.2Confident159 Ų159108.1 Ų108.170%0.69757%0.572SS**Hα-helixtrans-69-44.6176.4-80-87.7000112A273 T274 C279 C280A273-F276 PolarHBondContact O-N 2.95Å; A273-F276 VanDerWaalsContact O-N 3.12Å; T274-F276 VanDerWaalsContact C-N 3.34Å; T274-F276 PolarHBondContact O-N 3.31Å; F276-C279 PolarHBondContact O-N 3.12Å; F276-C280 WeakPolarHBondContact O-CB 3.3Å; F276-C280 PolarHBondContact O-N 2.96Å; F276-C280 PolarHBondContact O-SG 3.3Å
277V77.8Confident73.3Confident90 Ų90109.7 Ų109.755%0.54559%0.591SS.*Hα-helixtrans-65.9-41.7178.4174.90000111.3A273 T274 C280 K281A273-V277 WeakPolarHBondContact O-CG2 3.37Å; A273-V277 PolarHBondContact O-N 2.97Å; T274-V277 PolarHBondContact O-N 3.41Å; V277-C280 PolarHBondContact O-N 3.28Å; V277-K281 PolarHBondContact O-N 2.89Å; V277-K281 VanDerWaalsContact O-N 3.07Å
278L75.8Confident71.4Confident105 Ų105114.2 Ų114.255%0.5561%0.611SS.*Hα-helixtrans-64.5-40.5174.4-70.9172.7000111.7T274 K281 C282T274-L278 HydrophobicContact CG2-CD1 3.79Å; T274-L278 HydrophobicContact CG2-CG 4.36Å; T274-L278 WeakPolarHBondContact O-CB 3.2Å; T274-L278 VanDerWaalsContact O-CG 3.27Å; T274-L278 WeakPolarHBondContact O-CG 3.45Å; T274-L278 PolarHBondContact O-N 2.93Å; L278-K281 PolarHBondContact O-N 3.35Å; L278-C282 PolarHBondContact O-N 3.07Å; L278-C282 PolarHBondContact O-SG 3.46Å
279C71.2Confident69.6Low84 Ų84117.8 Ų117.857%0.56863%0.626SS**Hα-helixtrans-67.7-38.8177.9-156.90000112.2P275 F276 C282 K283P275-C279 WeakPolarHBondContact O-CB 3.32Å; P275-C279 PolarHBondContact O-N 3.41Å; F276-C279 PolarHBondContact O-N 3.12Å; C279-C282 PolarHBondContact O-N 3.47Å; C279-K283 WeakPolarHBondContact O-CB 3.23Å; C279-K283 PolarHBondContact O-N 3.06Å
280C67.7Low68.1Low81 Ų81118.2 Ų118.255%0.54764%0.635SS.*Hα-helixtrans-63-40.1173.2-70.50000112.4F276 V277 K283 C284F276-C280 WeakPolarHBondContact O-CB 3.3Å; F276-C280 PolarHBondContact O-N 2.96Å; F276-C280 PolarHBondContact O-SG 3.3Å; V277-C280 PolarHBondContact O-N 3.28Å; C280-K283 PolarHBondContact O-N 2.91Å; C280-C284 PolarHBondContact O-N 3.48Å; C280-C284 VanDerWaalsContact O-N 3.14Å
281K64.9Low66.7Low157 Ų157118.8 Ų118.868%0.68365%0.645SS**Hα-helixtrans-67.7-35174.2-93.6-169.4164.9166.70113.4V277 L278 K283 K285V277-K281 PolarHBondContact O-N 2.89Å; V277-K281 VanDerWaalsContact O-N 3.07Å; L278-K281 PolarHBondContact O-N 3.35Å; K281-K283 VanDerWaalsContact C-N 3.35Å; K281-K285 PolarHBondContact O-N 2.94Å
282C57.7Low64.9Low85 Ų85120.7 Ų120.757%0.57466%0.655SS**Hα-helixtrans-70.4-30.3174.2-68.90000112.7L278 C279L278-C282 PolarHBondContact O-N 3.07Å; L278-C282 PolarHBondContact O-SG 3.46Å; C279-C282 PolarHBondContact O-N 3.47Å
283K55.2Low63.5Low168 Ų168120.6 Ų120.673%0.7366%0.662SS**Hα-helixtrans-76-36.1178.3-141.1169.5-177.5173.20112.6C279 C280 K281 K285 R286C279-K283 WeakPolarHBondContact O-CB 3.23Å; C279-K283 PolarHBondContact O-N 3.06Å; C280-K283 PolarHBondContact O-N 2.91Å; K281-K283 VanDerWaalsContact C-N 3.35Å; K283-K285 VanDerWaalsContact C-N 3.26Å; K283-K285 PolarHBondContact O-N 3.36Å; K283-R286 PolarHBondContact O-N 3.24Å
284C53.3Low62Low105 Ų105128.8 Ų128.871%0.70971%0.708SS**Hα-helixtrans-66.1-24.8172.1-71.60000113.6C280C280-C284 PolarHBondContact O-N 3.48Å; C280-C284 VanDerWaalsContact O-N 3.14Å
285K52.6Low60.9Low181 Ų181131.9 Ų131.979%0.78772%0.723SS**THydrogen-bonded Turntrans-80.3-13.3175.4-82-168.9172.7-170.80114.6K281 K283K281-K285 PolarHBondContact O-N 2.94Å; K283-K285 VanDerWaalsContact C-N 3.26Å; K283-K285 PolarHBondContact O-N 3.36Å
286R50.3Low59.9Low224 Ų224134.9 Ų134.985%0.84574%0.735SS**THydrogen-bonded Turntrans-100.62.9-174.9-108.5-179.7-179.8174.60114.2K283K283-R286 PolarHBondContact O-N 3.24Å
287G50.4Low58.8Low60 Ų60133.6 Ų133.662%0.61974%0.738SS**SBendtrans-98.2-3.4-174.600000116.1
288D53.8Low57.7Low151 Ų151136.1 Ų136.181%0.80775%0.749SS**SBendtrans-1077.6-175-82.3-26.1000114.3
289D54.5Low56.5Low142 Ų142138.1 Ų138.176%0.75976%0.761SS**  trans-101.168.9175.8-66.2-52000111.1
290D57.1Low55.5Low155 Ų155141.7 Ų141.783%0.82977%0.774SS**PPolyproline II helixtrans-80.8122.1162.5-100.4-35.3000109.3
291P57.7Low54.7Low120 Ų120146 Ų14678%0.77979%0.79SS**PPolyproline II helixtrans-77.8128.1174.928.8-29.8000111.2
292L49.8Very low53.9Low160 Ų160145.2 Ų145.284%0.83880%0.799SS**PPolyproline II helixtrans-54.8143.8172.2-120.592.2000111.8
293P57.5Low53.6Low122 Ų122150.2 Ų150.279%0.79282%0.817SS**PPolyproline II helixtrans-81130.9174.932.4-29.5000110.8
294T50.8Low53.4Low214 Ų214148.5 Ų148.5100%1.31383%0.825SS**  trans-128.20156.144.50000108.8

Retrieved 294 of 294 residues in 165.6 ms (Link to these results)