A0A087XSH9_POEFO Loading...

Mothers against decapentaplegic homolog

AlphaFold DB , UniProt , Accession A0A087XSH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 490 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
1M50.2Low83.7Confident240 Ų24099.3 Ų99.3100%1.18247%0.466SS*.  0105.70-136.7-177.9-152.800108.1R3M1-R3 PolarHBondContact O-N 3.3Å
2F51.1Low84.7Confident217 Ų21799.5 Ų99.595%0.95246%0.459SS*.PPolyproline II helixtrans-66.8121.7179-70.6-82.8000109.5
3R74.2Confident85.6Confident189 Ų18991.8 Ų91.871%0.71342%0.424SS*.PPolyproline II helixtrans-71.7127.2178.3-78.7166.7158.1177.51.8109M1M1-R3 PolarHBondContact O-N 3.3Å
4T87.6Confident86.1Confident93 Ų9386.9 Ų86.957%0.57140%0.399SS*.PPolyproline II helixtrans-65.8146.4177.162.10000110.9R6 S7 G8T4-R6 VanDerWaalsContact C-N 3.28Å; T4-R6 PolarHBondContact O-N 3.49Å; T4-S7 PolarHBondContact N-OG 2.98Å; T4-S7 WeakPolarHBondContact O-CB 3.43Å; T4-S7 PolarHBondContact O-N 2.7Å; T4-S7 PolarHBondContact O-OG 2.77Å; T4-S7 WeakPolarHBondContact OG1-CB 3.47Å; T4-S7 PolarHBondContact OG1-N 3.35Å; T4-G8 PolarHBondContact O-N 3.43Å
5K91.9Very high86.6Confident118 Ų11892.5 Ų92.551%0.51342%0.416SS..Hα-helixtrans-50.8-48.2177.1175.9162.7170.1-111.10111.5S7 G8 L9 E179 D183K5-S7 VanDerWaalsContact C-N 3.35Å; K5-S7 PolarHBondContact O-N 2.76Å; K5-G8 WeakPolarHBondContact O-CA 3.42Å; K5-G8 PolarHBondContact O-N 2.77Å; K5-L9 HydrophobicContact CG-CD1 4.45Å; K5-L9 PolarHBondContact O-N 2.94Å; K5-E179 WeakPolarHBondContact CD-OE1 3.32Å; K5-E179 WeakPolarHBondContact CE-OE1 3.44Å; K5-E179 VanDerWaalsContact CG-OE1 3.32Å; K5-E179 WeakPolarHBondContact CG-OE1 3.06Å; K5-E179 IonicContact NZ-OE1 2.91Å; K5-E179 PolarHBondContact NZ-OE1 3.22Å; K5-D183 IonicContact NZ-OD1 3.22Å; K5-D183 IonicContact NZ-OD2 2.76Å; K5-D183 PolarHBondContact NZ-OD2 2.91Å
6R94Very high87.1Confident75 Ų7589.3 Ų89.328%0.28341%0.408SS..Hα-helixtrans-48.6-48.5172.1-176178.4-176.672.70.9114T4 G8 L9 V10 K175 L177 L182T4-R6 VanDerWaalsContact C-N 3.28Å; T4-R6 PolarHBondContact O-N 3.49Å; R6-G8 PolarHBondContact O-N 3.39Å; R6-L9 PolarHBondContact O-N 3.3Å; R6-V10 WeakPolarHBondContact O-CG2 3.35Å; R6-V10 PolarHBondContact O-N 2.98Å; R6-K175 PolarHBondContact NH2-O 3.4Å; R6-L177 PolarHBondContact NH1-O 3.3Å; R6-L177 PolarHBondContact NH2-O 3.19Å; R6-L182 HydrophobicContact CG-CD1 4.07Å; R6-L182 VanDerWaalsContact NH1-CD1 3.34Å
7S92.1Very high87.5Confident40 Ų4087.5 Ų87.528%0.2840%0.397SS..Hα-helixtrans-65.1-28.1178.678.20000112.8T4 K5 R11T4-S7 PolarHBondContact N-OG 2.98Å; T4-S7 WeakPolarHBondContact O-CB 3.43Å; T4-S7 PolarHBondContact O-N 2.7Å; T4-S7 PolarHBondContact O-OG 2.77Å; T4-S7 WeakPolarHBondContact OG1-CB 3.47Å; T4-S7 PolarHBondContact OG1-N 3.35Å; K5-S7 VanDerWaalsContact C-N 3.35Å; K5-S7 PolarHBondContact O-N 2.76Å; S7-R11 WeakPolarHBondContact O-CG 3.47Å; S7-R11 PolarHBondContact O-N 3.21Å; S7-R11 PolarHBondContact O-NE 3.33Å; S7-R11 PolarHBondContact OG-NH2 3.41Å
8G94.3Very high87.7Confident19 Ų1986.7 Ų86.720%0.19640%0.396CS..Hα-helixtrans-68.4-47.2173.400000112T4 K5 R6 R11 R12T4-G8 PolarHBondContact O-N 3.43Å; K5-G8 WeakPolarHBondContact O-CA 3.42Å; K5-G8 PolarHBondContact O-N 2.77Å; R6-G8 PolarHBondContact O-N 3.39Å; G8-R11 PolarHBondContact O-N 3.04Å; G8-R12 WeakPolarHBondContact O-CG 3.35Å; G8-R12 PolarHBondContact O-N 3.28Å
9L96Very high87.4Confident8 Ų888.8 Ų88.84%0.04241%0.409CS..Hα-helixtrans-61-49.1179.6-62.3174.7000112.1K5 R6 R11 R12 L13 E179 L182 D183 L186K5-L9 HydrophobicContact CG-CD1 4.45Å; K5-L9 PolarHBondContact O-N 2.94Å; R6-L9 PolarHBondContact O-N 3.3Å; L9-R11 VanDerWaalsContact C-N 3.28Å; L9-R11 PolarHBondContact O-N 2.92Å; L9-R12 PolarHBondContact O-N 3.29Å; L9-R12 VanDerWaalsContact O-N 3.08Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 PolarHBondContact O-N 3.31Å; L9-E179 HydrophobicContact CD1-CG 3.81Å; L9-L182 HydrophobicContact CB-CB 4.14Å; L9-L182 HydrophobicContact CD1-CB 3.85Å; L9-D183 WeakPolarHBondContact CD1-OD1 3.34Å; L9-D183 WeakPolarHBondContact CD2-OD1 3.23Å; L9-L186 HydrophobicContact CD2-CD2 3.66Å
10V95.4Very high86.6Confident17 Ų1788.8 Ų88.810%0.10342%0.418CS..Hα-helixtrans-58.8-40.5178.5175.90000111.4R6 W14 Y171 L174 L182R6-V10 WeakPolarHBondContact O-CG2 3.35Å; R6-V10 PolarHBondContact O-N 2.98Å; V10-W14 PolarHBondContact O-N 3Å; V10-Y171 HydrophobicContact CG1-CD1 3.68Å; V10-Y171 HydrophobicContact CG1-CE1 3.51Å; V10-L174 HydrophobicContact CG1-CB 4.42Å; V10-L174 HydrophobicContact CG1-CD1 4Å; V10-L174 HydrophobicContact CG2-CB 4.32Å; V10-L182 HydrophobicContact CG2-CD1 4.06Å; V10-L182 HydrophobicContact CG2-CD2 4.38Å
11R93.4Very high85.2Confident76 Ų7692.1 Ų92.129%0.28744%0.438SS..Hα-helixtrans-70.4-32.1176.4-78.9-177.8-71.2123.5-0.5113.4S7 G8 L9 R15S7-R11 WeakPolarHBondContact O-CG 3.47Å; S7-R11 PolarHBondContact O-N 3.21Å; S7-R11 PolarHBondContact O-NE 3.33Å; S7-R11 PolarHBondContact OG-NH2 3.41Å; G8-R11 PolarHBondContact O-N 3.04Å; L9-R11 VanDerWaalsContact C-N 3.28Å; L9-R11 PolarHBondContact O-N 2.92Å; R11-R15 WeakPolarHBondContact O-CG 3.34Å; R11-R15 PolarHBondContact O-N 2.87Å; R11-R15 PolarHBondContact O-NE 3.3Å
12R95.6Very high85.1Confident102 Ų10289 Ų8939%0.38542%0.418SS..Hα-helixtrans-69.2-50.1173.9-76.218067.3-172.5-2.2110.1G8 L9 W14 R15 S16 L186 E190G8-R12 WeakPolarHBondContact O-CG 3.35Å; G8-R12 PolarHBondContact O-N 3.28Å; L9-R12 PolarHBondContact O-N 3.29Å; L9-R12 VanDerWaalsContact O-N 3.08Å; R12-W14 PolarHBondContact O-N 3.18Å; R12-R15 WeakPolarHBondContact O-CA 3.46Å; R12-R15 WeakPolarHBondContact O-CB 3.48Å; R12-R15 PolarHBondContact O-N 2.81Å; R12-S16 PolarHBondContact O-N 3.42Å; R12-S16 PolarHBondContact O-OG 3.04Å; R12-L186 HydrophobicContact CB-CD1 3.81Å; R12-L186 HydrophobicContact CB-CD2 3.87Å; R12-E190 IonicContact CZ-OE1 2.76Å; R12-E190 IonicContact CZ-OE2 3.48Å; R12-E190 IonicContact NE-OE1 2.77Å; R12-E190 PolarHBondContact NE-OE1 3.19Å; R12-E190 IonicContact NH2-OE1 3.89Å; R12-E190 PolarHBondContact NH2-OE1 2.97Å; R12-E190 IonicContact NH2-OE2 2.77Å; R12-E190 PolarHBondContact NH2-OE2 3.35Å
13L96.3Very high84.5Confident0 Ų085.8 Ų85.80%041%0.406CS..Hα-helixtrans-50.7-52.5173.9-81.2168.6000111.6L9 R15 S16 R17 L174 L182 L185 L186 V189 Y224L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 PolarHBondContact O-N 3.31Å; L13-R15 PolarHBondContact O-N 3.08Å; L13-S16 PolarHBondContact O-N 2.99Å; L13-R17 PolarHBondContact O-N 3.49Å; L13-L174 HydrophobicContact CB-CD1 4.14Å; L13-L174 HydrophobicContact CD1-CD1 4.25Å; L13-L174 HydrophobicContact CD1-CD2 3.87Å; L13-L182 HydrophobicContact CD1-CD2 3.72Å; L13-L185 HydrophobicContact CD1-CD2 4.24Å; L13-L185 HydrophobicContact CD2-CB 4.43Å; L13-L185 HydrophobicContact CD2-CD2 4.21Å; L13-L185 HydrophobicContact CD2-CG 3.93Å; L13-L186 HydrophobicContact CD2-CB 3.96Å; L13-L186 HydrophobicContact CD2-CD1 3.94Å; L13-L186 HydrophobicContact CG-CB 4.1Å; L13-L186 HydrophobicContact CG-CD1 3.93Å; L13-V189 HydrophobicContact CD2-CG2 4.35Å; L13-Y224 WeakPolarHBondContact CB-OH 3.06Å; L13-Y224 VanDerWaalsContact O-CE1 3.28Å; L13-Y224 WeakPolarHBondContact O-CE1 3.22Å; L13-Y224 PolarHBondContact O-OH 3.18Å
14W93.7Very high82.8Confident22 Ų2280.1 Ų80.18%0.08341%0.406CS..Hα-helixtrans-60.2-30.7178.2-176.3-102.4000114.5V10 R12 R17 K167 T170 Y171V10-W14 PolarHBondContact O-N 3Å; R12-W14 PolarHBondContact O-N 3.18Å; W14-R17 WeakPolarHBondContact O-CD 3.44Å; W14-R17 VanDerWaalsContact O-CG 3.23Å; W14-R17 WeakPolarHBondContact O-CG 3.43Å; W14-R17 PolarHBondContact O-NH1 3.46Å; W14-K167 HydrophobicContact CD2-CG 4.42Å; W14-K167 HydrophobicContact CE3-CG 4.49Å; W14-K167 HydrophobicContact CH2-CB 3.4Å; W14-K167 HydrophobicContact CH2-CD 4.44Å; W14-K167 HydrophobicContact CH2-CG 3.67Å; W14-K167 HydrophobicContact CZ2-CB 3.65Å; W14-K167 HydrophobicContact CZ2-CD 3.85Å; W14-K167 HydrophobicContact CZ2-CG 3.54Å; W14-K167 HydrophobicContact CZ3-CB 4.08Å; W14-K167 HydrophobicContact CZ3-CG 4.15Å; W14-T170 HydrophobicContact CE3-CG2 3.98Å; W14-T170 HydrophobicContact CZ3-CG2 4.03Å; W14-Y171 HydrophobicContact CB-CE2 4.31Å; W14-Y171 AromaticContact CD2-CE2 3.81Å; W14-Y171 HydrophobicContact CD2-CE2 3.81Å; W14-Y171 HydrophobicContact CE3-CD2 4.37Å; W14-Y171 AromaticContact CE3-CE2 4Å; W14-Y171 HydrophobicContact CE3-CE2 4Å; W14-Y171 AromaticContact CG-CE2 3.92Å; W14-Y171 HydrophobicContact CG-CE2 3.92Å
15R93.8Very high80.2Confident171 Ų17183.5 Ų83.565%0.64542%0.415SS*.Hα-helixtrans-76.4-25.2176.2-76.6-175.6-69.5160.90.1112.8R11 R12 L13 R17R11-R15 WeakPolarHBondContact O-CG 3.34Å; R11-R15 PolarHBondContact O-N 2.87Å; R11-R15 PolarHBondContact O-NE 3.3Å; R12-R15 WeakPolarHBondContact O-CA 3.46Å; R12-R15 WeakPolarHBondContact O-CB 3.48Å; R12-R15 PolarHBondContact O-N 2.81Å; L13-R15 PolarHBondContact O-N 3.08Å; R15-R17 VanDerWaalsContact C-N 3.26Å; R15-R17 PolarHBondContact O-N 3.12Å
16S94.6Very high77.4Confident41 Ų4185.5 Ų85.529%0.28743%0.432SS..THydrogen-bonded Turntrans-84.14.6176.7-52.50000113.6R12 L13R12-S16 PolarHBondContact O-N 3.42Å; R12-S16 PolarHBondContact O-OG 3.04Å; L13-S16 PolarHBondContact O-N 2.99Å
17R93.8Very high74.6Confident59 Ų5985.8 Ų85.822%0.22346%0.458CS..SBendtrans-62.9157.517477.7-174.6-169.7-68.20.4111.6L13 W14 R15 E163 V223 Y224L13-R17 PolarHBondContact O-N 3.49Å; W14-R17 WeakPolarHBondContact O-CD 3.44Å; W14-R17 VanDerWaalsContact O-CG 3.23Å; W14-R17 WeakPolarHBondContact O-CG 3.43Å; W14-R17 PolarHBondContact O-NH1 3.46Å; R15-R17 VanDerWaalsContact C-N 3.26Å; R15-R17 PolarHBondContact O-N 3.12Å; R17-E163 IonicContact NH2-OE1 3.91Å; R17-E163 PolarHBondContact NH2-OE1 3.42Å; R17-E163 VanDerWaalsContact NH2-OE1 3.13Å; R17-V223 HydrophobicContact CB-CG1 3.64Å; R17-Y224 HydrophobicContact CB-CE1 4.41Å
18L89.9Confident71.5Confident73 Ų7390.5 Ų90.538%0.38248%0.48SS..  trans-67.1137167.6-69.5176.5000110.7V223 Y224 R225L18-V223 PolarHBondContact N-O 2.95Å; L18-Y224 WeakPolarHBondContact CG-O 3.46Å; L18-R225 VanDerWaalsContact CD1-CA 3.45Å; L18-R225 VanDerWaalsContact CD1-N 3.32Å; L18-R225 VanDerWaalsContact CD1-O 3.24Å; L18-R225 WeakPolarHBondContact CD1-O 3.43Å
19I83.2Confident68.7Low127 Ų12793.2 Ų93.265%0.65151%0.508SS*.  trans-103.8113.6169.9-58.7175.8000104.8D21I19-D21 PolarHBondContact O-N 3.45Å
20P71.1Confident65.6Low89 Ų89103.5 Ų103.558%0.57855%0.546SS*.PPolyproline II helixtrans-56.9136174.6-20.831.5000109.4K22 A227P20-K22 PolarHBondContact O-N 3.37Å; P20-A227 HydrophobicContact CG-CB 4.46Å
21D56.9Low62.4Low158 Ų158110.3 Ų110.385%0.84558%0.582SS**PPolyproline II helixtrans-56.4127.1172.1-72.2-35.6000108.3I19 E23I19-D21 PolarHBondContact O-N 3.45Å; D21-E23 PolarHBondContact O-N 3.24Å; D21-E23 VanDerWaalsContact O-N 3.14Å
22K48.7Very low59.5Low175 Ų175111.6 Ų111.676%0.76160%0.603SS**PPolyproline II helixtrans-63.4116167.5-71.9-177.1173.7-174.60106.2P20 G24P20-K22 PolarHBondContact O-N 3.37Å; K22-G24 PolarHBondContact O-N 2.7Å
23E39Very low56.3Low150 Ų150115.7 Ų115.770%0.70163%0.626SS**THydrogen-bonded Turntrans-51.7114.6170.7-72.5165.7150.900109.2D21 R159D21-E23 PolarHBondContact O-N 3.24Å; D21-E23 VanDerWaalsContact O-N 3.14Å; E23-R159 IonicContact OE1-NH2 2.87Å; E23-R159 IonicContact OE2-CZ 3.39Å; E23-R159 IonicContact OE2-NH1 3.8Å; E23-R159 PolarHBondContact OE2-NH1 3.13Å; E23-R159 IonicContact OE2-NH2 3.85Å; E23-R159 PolarHBondContact OE2-NH2 3.32Å
24G38.4Very low53.2Low69 Ų69119.6 Ų119.671%0.71167%0.667SS**THydrogen-bonded Turntrans57.768.216000000117.6K22K22-G24 PolarHBondContact O-N 2.7Å
25E31.1Very low49.9Very low164 Ų164125 Ų12577%0.76671%0.706SS**  trans-97.3108.1142.9-98.7179.6131.500107.2G27E25-G27 PolarHBondContact O-N 2.78Å
26D34.6Very low47Very low161 Ų161127.4 Ų127.486%0.86172%0.715SS**  trans-51135.9179-75.1-45.4000111.7N28D26-N28 PolarHBondContact O-N 3.24Å
27G34.6Very low43.9Very low80 Ų80133.2 Ų133.283%0.82574%0.743SS**  trans-61.7128.2176.500000111.8E25E25-G27 PolarHBondContact O-N 2.78Å
28N27.8Very low41Very low140 Ų140137.5 Ų137.575%0.74977%0.77SS**  trans-145108.2145.2-157.59.6000109.7D26 R30D26-N28 PolarHBondContact O-N 3.24Å; N28-R30 PolarHBondContact O-N 3.41Å
29G34.7Very low38.3Very low76 Ų76141.3 Ų141.378%0.78479%0.79SS**  trans-72.7116.5166.400000109.1
30R30.8Very low35.9Very low224 Ų224144.7 Ų144.785%0.84580%0.801SS**  trans-139.7126156.3-84.2-170.7141.4176-7.7110.7N28N28-R30 PolarHBondContact O-N 3.41Å
31N29.3Very low33.8Very low159 Ų159143.7 Ų143.785%0.8581%0.806SS**  trans-64.2152.9166.3-81.6-15.5000111.3
32S31.4Very low32.5Very low104 Ų104144.2 Ų144.273%0.72781%0.809SS**  trans88.6128.2148.9-69.90000120.2
33E29.3Very low31.6Very low188 Ų188143.2 Ų143.288%0.87981%0.812SS**  trans87.692144.1-70.7172.8179.600119.3
34G29.6Very low31.3Very low82 Ų82141 Ų14185%0.84581%0.81SS**  38.6111.5127.300000119.7
35C26.1Very low31Very low135 Ų135146.3 Ų146.391%0.91282%0.817SS**  trans-151.7142134.8-157.40000110.7
36R33Very low31Very low221 Ų221148.6 Ų148.683%0.83482%0.824SS**  trans-70.8141.5-176-69.9161.4141.1-179.1-7.8111.1
37D29.6Very low31.1Very low164 Ų164148.2 Ų148.288%0.87782%0.821SS**  -161.7110.4117.2-104.6-12.3000109.9
38D32.1Very low30.9Very low148 Ų148149.7 Ų149.779%0.79182%0.816SS**  trans-70.1142.5162.7-76.2-56.1000108.7
39L33.7Very low31.1Very low154 Ų154153.1 Ų153.181%0.80682%0.824SS**  trans-171.1133.6131.4-95.7162.4000110.7
40F32.6Very low30.8Very low198 Ų198155.2 Ų155.287%0.86882%0.822SS**  trans89.687.6179-55.5-71.1000118.3
41G27Very low30.8Very low67 Ų67153.4 Ų153.469%0.69182%0.823SS**  trans-63.7169.1162.400000113.4
42N29.1Very low30.8Very low170 Ų170155.6 Ų155.691%0.90983%0.825SS**  -149.5130.650.5-74.2-47.4000112.1
43N29.5Very low30.6Very low154 Ų154161.6 Ų161.682%0.82483%0.832SS**  trans-130.7119.8165.8-17120000108
44P32.9Very low30.4Very low102 Ų102159 Ų15966%0.66283%0.831SS**  trans-94.6125.816729.8-19000110.9
45E32.9Very low30.3Very low181 Ų181163.8 Ų163.885%0.84683%0.834SS**  trans94.493.3147.1-61.1177.4169.300119.1
46K30.2Very low30.6Very low212 Ų212163.9 Ų163.992%0.92283%0.83SS**  trans-70.3139.8153.6-69.8171.6175.7174.50109.8
47I36.8Very low30.3Very low154 Ų154161.2 Ų161.279%0.7983%0.832SS**  trans-118.2139.1163.3-61172.6000106.9
48P31.3Very low30.2Very low111 Ų111158.8 Ų158.872%0.72183%0.828SS**  trans-72.8147.8-168-8.825.2000112.5
49K31.2Very low29.9Very low211 Ų211154.9 Ų154.992%0.91782%0.822SS**  trans-80.7115.4167-70.8176.1177.1176.80108.3
50T29.5Very low29.8Very low121 Ų121152.2 Ų152.274%0.74282%0.816SS**  trans-101133.8166.1-37.30000109
51E30.1Very low29.5Very low185 Ų185151.3 Ų151.386%0.86481%0.812SS**  trans-62.7141.8-178.2-58.1175.8158.500112
52F28.9Very low29.6Very low205 Ų205158.2 Ų158.290%0.89982%0.824SS**  trans-121.8104.2163.2-86.3-82.1000109.3
53R26.5Very low29.4Very low231 Ų231153.3 Ų153.387%0.87281%0.814SS**  trans-86.4147.6150.3-91.7-173171.5-174.4-1.1108.5
54P26.6Very low29.3Very low132 Ų132153.4 Ų153.486%0.85781%0.814SS**  trans-83.7118.9174.530.9-26.1000109.8
55M26.2Very low29.1Very low184 Ų184156.3 Ų156.391%0.90682%0.822SS**  trans-123.2128.2159.4-104.3-170.7-175.100109.1
56T33.6Very low28.7Very low136 Ų136150.8 Ų150.883%0.83481%0.814SS**  trans-48.5141.2168.542.20000112.4
57L26.8Very low28.5Very low166 Ų166146 Ų14687%0.86981%0.808SS**  trans-120.9115164.5-131.6101.1000111.3
58S25.8Very low28.1Very low113 Ų113144.6 Ų144.679%0.7981%0.806SS**  trans-78.3146.6154.456.80000110.9
59G26.5Very low27.9Very low65 Ų65145.1 Ų145.167%0.6781%0.811SS**  trans101.1144.5152.100000116.1
60S31.7Very low27.7Very low98 Ų98139.4 Ų139.469%0.68580%0.803SS**  cis173.7161.35.655.50000112.3
61F27.3Very low27.8Very low180 Ų180140.6 Ų140.679%0.78981%0.81SS**  trans65.5125.5149.7-66.9-66.6000122.1
62F28.7Very low27.6Very low211 Ų211139.9 Ų139.993%0.92581%0.806SS**  -178.3149.788.3-91.5-83.5000107.4
63G25.4Very low27.8Very low68 Ų68135.6 Ų135.670%0.70180%0.802SS**  cis-171157.42.600000111.9
64D26.2Very low27.8Very low155 Ų155128.1 Ų128.183%0.82980%0.797SS**  trans35.1128.4146.9-129.9-1.7000124.1
65I29.1Very low27.9Very low163 Ų163125.8 Ų125.884%0.83680%0.796SS**  174.2119.7120.6-88.4162.2000110.9
66G25.1Very low28Very low66 Ų66121.2 Ų121.268%0.6880%0.796SS**  trans40.9124.6137.700000123.1
67S25.9Very low27.8Very low112 Ų112118.6 Ų118.678%0.78380%0.797SS**  146.8120.1117.5-169.60000114.2
68V27.3Very low28Very low123 Ų123113.9 Ų113.975%0.74579%0.788SS**  trans10.8126.7134.2-1660000115.4
69C27.8Very low28.2Very low123 Ų123118.8 Ų118.883%0.83180%0.796SS**  -162.9148.587.6-65.20000113.4
70A27.6Very low28.3Very low90 Ų90119.4 Ų119.474%0.74480%0.802SS**  trans-71.6162.3168.400000113.2
71V30.6Very low28.2Very low147 Ų147118 Ų11889%0.89180%0.803SS**  -167.9130.1128159.60000109.5
72E27.1Very low28.4Very low169 Ų169118.3 Ų118.379%0.7981%0.812SS**  trans-73.4156174.3-48178.8128.700112.4
73S31.3Very low28.3Very low115 Ų115111.2 Ų111.280%0.80480%0.798SS**  130.1146.7100.7-900000107.5
74G27.8Very low28.6Very low75 Ų75114.4 Ų114.477%0.77380%0.804SS**  cis-147.1163.61.900000109.8
75G27.8Very low28.8Very low82 Ų82112.9 Ų112.985%0.84580%0.8SS**  84.299.67800000108.7
76G28.6Very low28.8Very low88 Ų88109.8 Ų109.891%0.90779%0.793SS**  92.2135.369.500000108.5
77G29.3Very low29Very low82 Ų82112.2 Ų112.285%0.84579%0.791SS**  cis164.8168.94.800000108.6
78G30.4Very low29.2Very low67 Ų67114.6 Ų114.669%0.69179%0.789SS**  trans95.4144.815800000117.4
79F31Very low29.2Very low216 Ų216116 Ų11695%0.94779%0.792SS**  cis-172.11525.4-121.6-81.4000110.6
80G28.5Very low29.1Very low78 Ų78114.6 Ų114.680%0.80479%0.79SS**  trans83.1137.214700000118.3
81G29.8Very low29Very low67 Ų67114.2 Ų114.269%0.69180%0.795SS**  cis147.8143.74.400000110.8
82L30.9Very low28.9Very low187 Ų187111.9 Ų111.998%0.97979%0.791SS**  trans77.6135.6164.2-62.1147.2000117.6
83G27.4Very low28.8Very low63 Ų63110.9 Ų110.965%0.64980%0.796SS**  cis159.4151.1-200000111.6
84V30.8Very low28.3Very low135 Ų135110.7 Ų110.782%0.81879%0.793SS**  trans75.9135.6143.9-1690000116.2
85T31.1Very low28.2Very low123 Ų123113.4 Ų113.476%0.75580%0.795SS**  cis-168.8157.924.411.80000112
86S29.2Very low28.7Very low97 Ų97114.4 Ų114.468%0.67879%0.786SS**  trans48.1149.6140.4-86.30000122.3
87D29.4Very low28.5Very low118 Ų118117.7 Ų117.763%0.63178%0.778SS**  cis-166.61539.8-109.7-39.5000110.3
88Q30.7Very low28.3Very low161 Ų161122 Ų12275%0.75278%0.776SS**  trans32.5144.9138.6-59.5170.361.300120.4
89D25.6Very low28Very low152 Ų152122.7 Ų122.781%0.81378%0.784SS**  -174.3170.950.9-156.40.2000112.5
90A27Very low27.7Very low95 Ų95117.5 Ų117.579%0.78577%0.774SS**  trans-77.7174.8-168.300000117.8
91G25.7Very low28Very low82 Ų82119.4 Ų119.485%0.84577%0.772SS**  trans162.999.7155.700000116.8
92A27.3Very low27.9Very low98 Ų98127.4 Ų127.481%0.8178%0.782SS**  trans-105.3133.9164.900000109.9
93V24.8Very low27.7Very low148 Ų148123.9 Ų123.990%0.89777%0.772SS**  trans-154140.3160-1790000110.6
94C21.5Very low27.7Very low110 Ų110125.3 Ų125.374%0.74378%0.778SS**  trans-109.7165.5174.3-65.60000111.9
95V26.3Very low27.5Very low133 Ų133127 Ų12781%0.80678%0.782SS**  trans89.2151.7150.4-161.60000117.3
96P38.5Very low27.3Very low102 Ų102127.9 Ų127.966%0.66278%0.782SS**  cis-140.5-172.4-40.543.7-27.5000116.9
97E23.7Very low27.2Very low158 Ų158127.9 Ų127.974%0.73878%0.782SS**  trans71.2145.1153.5-63.4-146.2149.500118.3
98Q25.2Very low27.2Very low171 Ų171129.9 Ų129.980%0.79979%0.788SS**  cis-167.3153.620.8-134.9171.837.900108.5
99G24.5Very low27.1Very low83 Ų83128.7 Ų128.786%0.85680%0.796SS**  trans144.186.2158.500000117.3
100S25Very low27.2Very low106 Ų106131.5 Ų131.574%0.74180%0.795SS**  trans-104.3159.5161.6-1510000109
101P33.3Very low27.2Very low118 Ų118133.8 Ų133.877%0.76680%0.799SS**  -140136.489.428.4-9.1000113.9
102R27.3Very low27.3Very low236 Ų236136.2 Ų136.289%0.89180%0.797SS**  50126.1101-64.8-173.5169.1-170-2.7114.5
103S28.3Very low27.3Very low112 Ų112138 Ų13878%0.78380%0.798SS**  -157.3128.955.749.40000111.5
104A26.6Very low27.3Very low94 Ų94136.7 Ų136.778%0.77779%0.794SS**  65.9103.179.500000115.5
105L27.5Very low27.7Very low169 Ų169136.8 Ų136.889%0.88580%0.795SS**  -163.5102.2128.4-111.3152.2000109.9
106D26Very low27.8Very low143 Ų143137 Ų13777%0.76579%0.791SS**  trans-79.9140.4168.1-152.62.2000107.9
107S27.3Very low27.2Very low97 Ų97140.4 Ų140.468%0.67880%0.796SS**  trans-149.493.7173.4-68.50000110.2
108E29Very low27.4Very low160 Ų160141.5 Ų141.575%0.74880%0.798SS**  trans-54.5123.8165.1-60.3175.3142.700111.1R110E108-R110 PolarHBondContact O-N 2.76Å
109C28.5Very low27.6Very low136 Ų136142.5 Ų142.592%0.91980%0.803SS**  trans-93.7101.2168.3-800000110.3
110R28.4Very low27.6Very low211 Ų211148.7 Ų148.780%0.79680%0.8SS**  trans-58.5144.7172.6-69.9173.8173.4-173.6-3.5112.6E108E108-R110 PolarHBondContact O-N 2.76Å
111T26.3Very low27.7Very low142 Ų142150.8 Ų150.887%0.87180%0.803SS**  trans-60.4127.3161.931.10000110.7
112V28.6Very low27.4Very low134 Ų134152.6 Ų152.681%0.81280%0.801SS**  trans-108.4105.7171.2-177.70000108.5
113T26.7Very low27.2Very low135 Ų135145.9 Ų145.983%0.82880%0.795SS**  trans-67.8128.4157.7270000109.4
114C25.6Very low27.1Very low121 Ų121150.1 Ų150.182%0.81880%0.803SS**  trans-134.398.5162.5-163.60000108.7
115C28.1Very low27Very low111 Ų111150.5 Ų150.575%0.7581%0.806SS**  trans-86.5132.8153.5-590000106.4
116L28.6Very low27Very low137 Ų137147.4 Ų147.472%0.71781%0.805SS**  158.5134.3128.5-84.8167.3000113.4
117F27.2Very low27Very low175 Ų175149.9 Ų149.977%0.76881%0.812SS**  trans72.6147.4158.6-59.8-60.6000118.4
118K27.9Very low26.8Very low181 Ų181148.7 Ų148.779%0.78782%0.815SS**  cis-179.4131.3-18.1-170.2174.6-176.6-179.80101.9R120K118-R120 PolarHBondContact O-N 3.06Å
119E28.7Very low26.7Very low192 Ų192148.1 Ų148.190%0.89782%0.822SS**  trans-54.2136.4175.8-72.5167.5149.400110.8
120R25.1Very low26.6Very low213 Ų213153 Ų15380%0.80482%0.821SS**  trans-140.3110.2166.4-159.3176.8-174.9176.80.1109.1K118K118-R120 PolarHBondContact O-N 3.06Å
121D26.1Very low26.5Very low149 Ų149150 Ų15080%0.79782%0.821SS**  trans-61.5134.7170.8-60.5-60.3000111
122H26.8Very low27Very low157 Ų157149.2 Ų149.273%0.72782%0.818SS**  trans-137.5108.5158.6-81.9-67.7000109.4
123A24.8Very low26.9Very low94 Ų94146.2 Ų146.278%0.77782%0.815SS**  trans-75.6137.7160.300000109.1
124E25.2Very low26.8Very low202 Ų202145.8 Ų145.894%0.94482%0.817SS**  trans-159.5141.9149.1-113.9169.6-15900110.9
125A24.4Very low26.8Very low102 Ų102146.2 Ų146.284%0.84382%0.82SS**  trans-101.6151.4-168.300000111.6
126A26.8Very low26.7Very low104 Ų104148.7 Ų148.786%0.8682%0.82SS**  trans-159.1144.7152.800000111.9
127Q26.3Very low26.5Very low195 Ų195151.8 Ų151.891%0.91183%0.829SS**  trans-95160.2-163.1-73.8149.4-44.500115.2
128G23.7Very low26.5Very low71 Ų71150 Ų15073%0.73282%0.824SS**  trans85.2134.1149.700000115.5
129T26.4Very low26.4Very low149 Ų149149.7 Ų149.791%0.91483%0.83SS**  cis-164.7152.236.6-24.50000110.5
130R27.3Very low26.3Very low237 Ų237150.6 Ų150.689%0.89483%0.825SS**  trans-67.4134.9-175.6-71.9170.8169.2175.9-4.8114
131D25.8Very low26.3Very low149 Ų149146.5 Ų146.580%0.79783%0.83SS**  77.2151.784.4-122.810.2000113.7
132P37.8Very low26.4Very low125 Ų125147 Ų14781%0.81283%0.831SS**  cis-148.5168.337.940.2-18.5000119.1
133G24.9Very low26.4Very low72 Ų72142.8 Ų142.874%0.74283%0.831SS**  trans15085.5140.700000118
134S25.4Very low27.4Very low125 Ų125145 Ų14587%0.87484%0.837SS**  trans-172.7144.2136.4-170.10000111.6
135C25.6Very low27.5Very low130 Ų130139 Ų13988%0.87883%0.83SS**  trans-86.9138.7-152.6-54.70000114.4
136H25.2Very low27.8Very low163 Ų163142.9 Ų142.976%0.75584%0.836SS**  trans-79.6143.8173.2-128.9-71.2000111.5M138H136-M138 WeakPolarHBondContact ND1-CG 3.46Å
137F25Very low28Very low203 Ų203141 Ų14189%0.8983%0.827SS**  trans-124123.8150.3-152.6-94.6000108.7
138M26.6Very low28.6Very low136 Ų136137.9 Ų137.967%0.6783%0.827SS**  trans-105.8147-176.9-77.5-116.9-83.200110.2H136H136-M138 WeakPolarHBondContact ND1-CG 3.46Å
139L25.6Very low29Very low176 Ų176139.9 Ų139.992%0.92183%0.829SS**  trans-120.4121.4152.7-160.972.3000109.7
140R27.4Very low29.2Very low210 Ų210136.9 Ų136.979%0.79281%0.814SS**  trans-60.9148.8-175.1-81.8172.9168.4172.1-4.1113.6
141S24.9Very low29.7Very low128 Ų128132.2 Ų132.290%0.89582%0.815SS**  trans-130.3130.4139.2-78.30000109.1
142L29.3Very low30.2Very low158 Ų158133 Ų13383%0.82781%0.814SS**  trans-80135.4177.3-74.1143.6000109.1
143G25.7Very low30.1Very low69 Ų69131.1 Ų131.171%0.71181%0.808SS**  trans-80.3-158.9164.100000111.9
144P45.7Very low30.6Very low141 Ų141137.2 Ų137.292%0.91682%0.818SS**  cis-135.9175.6-0.438.9-20.3000114.5
145G27.5Very low31.5Very low77 Ų77139.1 Ų139.179%0.79481%0.813SS**  trans-178.1107.8165.700000112.9
146D32Very low32.9Very low182 Ų182137.5 Ų137.597%0.97381%0.808SS**  trans-52.6145.4179.8-87.7-41.8000114.9
147G29.2Very low34.7Very low64 Ų64135.7 Ų135.766%0.6680%0.802SS**  trans166.292.5168.300000111.8S149G147-S149 PolarHBondContact O-N 2.99Å; G147-S149 VanDerWaalsContact O-N 3.16Å
148S40.7Very low37.2Very low131 Ų131129.4 Ų129.492%0.91678%0.782SS**  trans-42.8113.7173.554.60000113.2
149S30.8Very low39.5Very low112 Ų112131.8 Ų131.878%0.78378%0.783SS**  trans-142.6127.4156.148.70000108.5G147G147-S149 PolarHBondContact O-N 2.99Å; G147-S149 VanDerWaalsContact O-N 3.16Å
150S30.3Very low42.1Very low86 Ų86128.2 Ų128.260%0.60177%0.769SS**  trans-57.2143.717339.80000110.7E152S150-E152 VanDerWaalsContact C-N 3.26Å; S150-E152 PolarHBondContact O-N 3.35Å
151P37.9Very low44.7Very low139 Ų139120.6 Ų120.690%0.90375%0.746SS**  trans-83.476.8168.333.4-28.6000108.5
152E36.9Very low47.4Very low167 Ų167118.9 Ų118.978%0.7873%0.726SS**  trans-95.6131167.6-80.3-176.7141.800110.5S150S150-E152 VanDerWaalsContact C-N 3.26Å; S150-E152 PolarHBondContact O-N 3.35Å
153A34.7Very low50.1Low84 Ų84116 Ų11669%0.69471%0.708SS**  trans63.188.6160.400000117.9E155A153-E155 VanDerWaalsContact C-N 3.27Å; A153-E155 PolarHBondContact O-N 2.94Å
154Q36.4Very low53.1Low201 Ų201119.6 Ų119.694%0.93971%0.706SS**  trans-63.597.9140.4-90.3175.7-24.700107.3A156Q154-A156 PolarHBondContact O-N 3.02Å
155E43.3Very low55.1Low165 Ų165116.3 Ų116.377%0.77168%0.679SS**  trans-54110.3174.2-76.7-178.2143.900109.8A153 M157A153-E155 VanDerWaalsContact C-N 3.27Å; A153-E155 PolarHBondContact O-N 2.94Å; E155-M157 PolarHBondContact O-N 3.03Å
156A55.9Low58.1Low95 Ų95114.4 Ų114.479%0.78565%0.65SS**  trans-63.6109.7169.100000108.2Q154Q154-A156 PolarHBondContact O-N 3.02Å
157M63Low60.9Low126 Ų126110.2 Ų110.262%0.62162%0.623SS**  trans-50.7132.7177.1-83.6-74.5148.800110.6E155 R159 V161E155-M157 PolarHBondContact O-N 3.03Å; M157-R159 PolarHBondContact O-N 3.26Å; M157-V161 HydrophobicContact SD-CG1 4.22Å
158P77.4Confident63.8Low71 Ų71110.2 Ų110.246%0.46162%0.617SS.*  trans-55.6135.7179.3-23.631.4000111.1T160 V161 L162P158-T160 PolarHBondContact O-N 3.18Å; P158-V161 HydrophobicContact CB-CG2 4.08Å; P158-V161 HydrophobicContact CG-CG2 4.15Å; P158-V161 WeakPolarHBondContact O-CB 3.48Å; P158-V161 PolarHBondContact O-N 3Å; P158-L162 PolarHBondContact O-N 3.41Å
159R75.3Confident66.3Low186 Ų186104.3 Ų104.370%0.70258%0.576SS**Hα-helixtrans-48.8-34.5-179.7-83.9-180164.3155.5-4.6113.1E23 M157 L162 E163E23-R159 IonicContact OE1-NH2 2.87Å; E23-R159 IonicContact OE2-CZ 3.39Å; E23-R159 IonicContact OE2-NH1 3.8Å; E23-R159 PolarHBondContact OE2-NH1 3.13Å; E23-R159 IonicContact OE2-NH2 3.85Å; E23-R159 PolarHBondContact OE2-NH2 3.32Å; M157-R159 PolarHBondContact O-N 3.26Å; R159-L162 PolarHBondContact O-N 3.12Å; R159-E163 PolarHBondContact O-N 3.38Å; R159-E163 VanDerWaalsContact O-N 3.07Å
160T79.2Confident69.2Low101 Ų10199.1 Ų99.162%0.6254%0.54SS*.Hα-helixtrans-66.3-38.617850.60000113.2P158 E163 Q164P158-T160 PolarHBondContact O-N 3.18Å; T160-E163 PolarHBondContact O-N 3.47Å; T160-Q164 WeakPolarHBondContact O-CB 3.48Å; T160-Q164 PolarHBondContact O-N 3.47Å; T160-Q164 VanDerWaalsContact O-N 3.08Å
161V82.1Confident72.2Confident50 Ų5098.3 Ų98.330%0.30352%0.524SS..Hα-helixtrans-66.6-45.6177.1178.40000109.6M157 P158 E163 Q164 E165M157-V161 HydrophobicContact SD-CG1 4.22Å; P158-V161 HydrophobicContact CB-CG2 4.08Å; P158-V161 HydrophobicContact CG-CG2 4.15Å; P158-V161 WeakPolarHBondContact O-CB 3.48Å; P158-V161 PolarHBondContact O-N 3Å; V161-E163 PolarHBondContact O-N 3.39Å; V161-Q164 WeakPolarHBondContact O-CB 3.28Å; V161-Q164 PolarHBondContact O-N 3.5Å; V161-Q164 VanDerWaalsContact O-N 3.14Å; V161-E165 WeakPolarHBondContact O-CG 3.48Å; V161-E165 PolarHBondContact O-N 2.95Å
162L82.6Confident74.8Confident91 Ų9194.2 Ų94.248%0.47650%0.498SS..Hα-helixtrans-61.9-40.9177.9-174.265000112.4P158 R159 Q164 E165 L166P158-L162 PolarHBondContact O-N 3.41Å; R159-L162 PolarHBondContact O-N 3.12Å; L162-Q164 VanDerWaalsContact C-N 3.33Å; L162-E165 PolarHBondContact O-N 3.15Å; L162-L166 WeakPolarHBondContact O-CB 3.39Å; L162-L166 PolarHBondContact O-N 3.23Å
163E85.3Confident77.5Confident98 Ų9886.3 Ų86.346%0.45846%0.461SS..Hα-helixtrans-64.9-38.4175.4-170.8178.3-176.400111.6R17 R159 T160 V161 L166 K167R17-E163 IonicContact NH2-OE1 3.91Å; R17-E163 PolarHBondContact NH2-OE1 3.42Å; R17-E163 VanDerWaalsContact NH2-OE1 3.13Å; R159-E163 PolarHBondContact O-N 3.38Å; R159-E163 VanDerWaalsContact O-N 3.07Å; T160-E163 PolarHBondContact O-N 3.47Å; V161-E163 PolarHBondContact O-N 3.39Å; E163-L166 PolarHBondContact O-N 3.38Å; E163-K167 WeakPolarHBondContact O-CB 3.45Å; E163-K167 PolarHBondContact O-N 2.92Å
164Q87.8Confident80.4Confident145 Ų14582.3 Ų82.368%0.67843%0.429SS*.Hα-helixtrans-66.4-40.1177.6-172.4168.4-4.700112.1T160 V161 L162 K167 A168T160-Q164 WeakPolarHBondContact O-CB 3.48Å; T160-Q164 PolarHBondContact O-N 3.47Å; T160-Q164 VanDerWaalsContact O-N 3.08Å; V161-Q164 WeakPolarHBondContact O-CB 3.28Å; V161-Q164 PolarHBondContact O-N 3.5Å; V161-Q164 VanDerWaalsContact O-N 3.14Å; L162-Q164 VanDerWaalsContact C-N 3.33Å; Q164-K167 WeakPolarHBondContact O-CB 3.36Å; Q164-K167 PolarHBondContact O-N 2.86Å; Q164-A168 PolarHBondContact O-N 3.38Å
165E89.2Confident83Confident72 Ų7280.6 Ų80.634%0.33642%0.418SS..Hα-helixtrans-66.8-43.6173.6-70.5-171170.500112.2V161 L162 K167 A168 A169 G210V161-E165 WeakPolarHBondContact O-CG 3.48Å; V161-E165 PolarHBondContact O-N 2.95Å; L162-E165 PolarHBondContact O-N 3.15Å; E165-K167 PolarHBondContact O-N 3.42Å; E165-A168 PolarHBondContact O-N 2.86Å; E165-A168 VanDerWaalsContact O-N 3.15Å; E165-A169 WeakPolarHBondContact O-CB 3.45Å; E165-A169 PolarHBondContact O-N 2.78Å; E165-G210 WeakPolarHBondContact OE2-CA 3.31Å; E165-G210 PolarHBondContact OE2-N 2.92Å
166L89.5Confident85.4Confident36 Ų3678 Ų7819%0.18840%0.401CS..Hα-helixtrans-57.4-42.5174.6-175.467.4000111.1L162 E163 T170 L209 L219 V223L162-L166 WeakPolarHBondContact O-CB 3.39Å; L162-L166 PolarHBondContact O-N 3.23Å; E163-L166 PolarHBondContact O-N 3.38Å; L166-T170 VanDerWaalsContact O-CB 3.29Å; L166-T170 WeakPolarHBondContact O-CB 3.23Å; L166-T170 PolarHBondContact O-N 3.26Å; L166-T170 PolarHBondContact O-OG1 3.24Å; L166-L209 VanDerWaalsContact CA-CD1 3.5Å; L166-L209 HydrophobicContact CB-CD1 4.1Å; L166-L209 HydrophobicContact CD1-CD1 3.85Å; L166-L209 HydrophobicContact CD1-CD2 4.23Å; L166-L219 HydrophobicContact CD1-CD1 3.61Å; L166-V223 HydrophobicContact CD1-CG2 3.77Å; L166-V223 HydrophobicContact CD2-CG2 4.33Å; L166-V223 HydrophobicContact CG-CG2 4.09Å
167K90.6Very high87.3Confident95 Ų9573.8 Ų73.841%0.41337%0.365SS..Hα-helixtrans-60.8-53.4173.6-171.7176.9-179.8-176.10111.1W14 E163 Q164 E165 A169 T170 Y171W14-K167 HydrophobicContact CD2-CG 4.42Å; W14-K167 HydrophobicContact CE3-CG 4.49Å; W14-K167 HydrophobicContact CH2-CB 3.4Å; W14-K167 HydrophobicContact CH2-CD 4.44Å; W14-K167 HydrophobicContact CH2-CG 3.67Å; W14-K167 HydrophobicContact CZ2-CB 3.65Å; W14-K167 HydrophobicContact CZ2-CD 3.85Å; W14-K167 HydrophobicContact CZ2-CG 3.54Å; W14-K167 HydrophobicContact CZ3-CB 4.08Å; W14-K167 HydrophobicContact CZ3-CG 4.15Å; E163-K167 WeakPolarHBondContact O-CB 3.45Å; E163-K167 PolarHBondContact O-N 2.92Å; Q164-K167 WeakPolarHBondContact O-CB 3.36Å; Q164-K167 PolarHBondContact O-N 2.86Å; E165-K167 PolarHBondContact O-N 3.42Å; K167-A169 VanDerWaalsContact C-N 3.35Å; K167-A169 PolarHBondContact O-N 2.98Å; K167-T170 PolarHBondContact O-N 3.28Å; K167-Y171 HydrophobicContact CD-CE2 4.4Å; K167-Y171 HydrophobicContact CG-CD2 3.72Å; K167-Y171 HydrophobicContact CG-CE2 3.65Å; K167-Y171 VanDerWaalsContact O-CD2 3.25Å; K167-Y171 WeakPolarHBondContact O-CD2 3.25Å; K167-Y171 PolarHBondContact O-N 3Å
168A91.3Very high88.8Confident64 Ų6476.1 Ų76.153%0.52937%0.372SS..Hα-helixtrans-57.1-47-179.100000112.2Q164 E165 T170 Y171 S172Q164-A168 PolarHBondContact O-N 3.38Å; E165-A168 PolarHBondContact O-N 2.86Å; E165-A168 VanDerWaalsContact O-N 3.15Å; A168-T170 PolarHBondContact O-N 3.12Å; A168-Y171 PolarHBondContact O-N 3.37Å; A168-S172 WeakPolarHBondContact O-CB 3.35Å; A168-S172 PolarHBondContact O-N 3.1Å
169A92.2Very high89.6Confident6 Ų676.3 Ų76.35%0.0537%0.367CS..Hα-helixtrans-61.4-45.2177.600000111.9E165 K167 S172 L173 L209 L219E165-A169 WeakPolarHBondContact O-CB 3.45Å; E165-A169 PolarHBondContact O-N 2.78Å; K167-A169 VanDerWaalsContact C-N 3.35Å; K167-A169 PolarHBondContact O-N 2.98Å; A169-S172 WeakPolarHBondContact O-CB 3.29Å; A169-S172 PolarHBondContact O-N 3.47Å; A169-L173 PolarHBondContact O-N 3.43Å; A169-L209 HydrophobicContact CB-CD1 4.08Å; A169-L219 HydrophobicContact CB-CD1 4.22Å; A169-L219 HydrophobicContact CB-CD2 3.94Å
170T93.1Very high90.6Very high4 Ų475.5 Ų75.53%0.02537%0.368CS..Hα-helixtrans-62.4-46.8178.7-56.80000111.2W14 L166 K167 A168 S172 L173 L174 V223W14-T170 HydrophobicContact CE3-CG2 3.98Å; W14-T170 HydrophobicContact CZ3-CG2 4.03Å; L166-T170 VanDerWaalsContact O-CB 3.29Å; L166-T170 WeakPolarHBondContact O-CB 3.23Å; L166-T170 PolarHBondContact O-N 3.26Å; L166-T170 PolarHBondContact O-OG1 3.24Å; K167-T170 PolarHBondContact O-N 3.28Å; A168-T170 PolarHBondContact O-N 3.12Å; T170-S172 VanDerWaalsContact C-N 3.31Å; T170-S172 PolarHBondContact O-N 2.94Å; T170-L173 PolarHBondContact O-N 3.46Å; T170-L174 HydrophobicContact CG2-CD1 4.03Å; T170-L174 HydrophobicContact CG2-CG 4.31Å; T170-L174 VanDerWaalsContact O-CG 3.29Å; T170-L174 WeakPolarHBondContact O-CG 3.41Å; T170-L174 PolarHBondContact O-N 3.07Å; T170-V223 WeakPolarHBondContact OG1-CG2 3.18Å
171Y93.3Very high91.5Very high68 Ų6871.8 Ų71.827%0.26735%0.348SS..Hα-helixtrans-64.4-36.4178-87.8-95.6000112.3V10 W14 K167 A168 K175V10-Y171 HydrophobicContact CG1-CD1 3.68Å; V10-Y171 HydrophobicContact CG1-CE1 3.51Å; W14-Y171 HydrophobicContact CB-CE2 4.31Å; W14-Y171 AromaticContact CD2-CE2 3.81Å; W14-Y171 HydrophobicContact CD2-CE2 3.81Å; W14-Y171 HydrophobicContact CE3-CD2 4.37Å; W14-Y171 AromaticContact CE3-CE2 4Å; W14-Y171 HydrophobicContact CE3-CE2 4Å; W14-Y171 AromaticContact CG-CE2 3.92Å; W14-Y171 HydrophobicContact CG-CE2 3.92Å; K167-Y171 HydrophobicContact CD-CE2 4.4Å; K167-Y171 HydrophobicContact CG-CD2 3.72Å; K167-Y171 HydrophobicContact CG-CE2 3.65Å; K167-Y171 VanDerWaalsContact O-CD2 3.25Å; K167-Y171 WeakPolarHBondContact O-CD2 3.25Å; K167-Y171 PolarHBondContact O-N 3Å; A168-Y171 PolarHBondContact O-N 3.37Å; Y171-K175 WeakPolarHBondContact O-CB 3.28Å; Y171-K175 WeakPolarHBondContact O-CG 3.29Å; Y171-K175 PolarHBondContact O-N 2.99Å
172S92.3Very high92.2Very high53 Ų5369.4 Ų69.437%0.37133%0.334SS..Hα-helixtrans-61.3-46.5173.7-174.90000111.5A168 A169 T170 K175A168-S172 WeakPolarHBondContact O-CB 3.35Å; A168-S172 PolarHBondContact O-N 3.1Å; A169-S172 WeakPolarHBondContact O-CB 3.29Å; A169-S172 PolarHBondContact O-N 3.47Å; T170-S172 VanDerWaalsContact C-N 3.31Å; T170-S172 PolarHBondContact O-N 2.94Å; S172-K175 PolarHBondContact O-N 3.46Å
173L94.1Very high92.9Very high1 Ų167 Ų671%0.00532%0.321CS..Hα-helixtrans-61.4-51175.5-176.3156.2000111.5A169 T170 K175 R176 L177 I202 L207 P216 L219 V220A169-L173 PolarHBondContact O-N 3.43Å; T170-L173 PolarHBondContact O-N 3.46Å; L173-K175 PolarHBondContact O-N 3.12Å; L173-R176 WeakPolarHBondContact O-CB 3.29Å; L173-R176 PolarHBondContact O-N 3.01Å; L173-L177 HydrophobicContact CD2-CD1 4.26Å; L173-I202 HydrophobicContact CD2-CD1 4.35Å; L173-I202 HydrophobicContact CG-CD1 4Å; L173-L207 HydrophobicContact CB-CD1 3.92Å; L173-L207 HydrophobicContact CD1-CD1 3.72Å; L173-L207 HydrophobicContact CG-CD1 4.23Å; L173-P216 HydrophobicContact CD1-CB 3.82Å; L173-L219 HydrophobicContact CB-CD2 4.21Å; L173-L219 HydrophobicContact CD1-CD2 3.95Å; L173-V220 HydrophobicContact CD1-CG2 3.69Å; L173-V220 HydrophobicContact CD2-CG2 3.95Å
174L94.6Very high93.4Very high1 Ų163.4 Ų63.41%0.00531%0.306CS..Hα-helixtrans-62.6-30.9-177.7-66.3-179.9000112.3V10 L13 T170 R176 L177 L182 L185V10-L174 HydrophobicContact CG1-CB 4.42Å; V10-L174 HydrophobicContact CG1-CD1 4Å; V10-L174 HydrophobicContact CG2-CB 4.32Å; L13-L174 HydrophobicContact CB-CD1 4.14Å; L13-L174 HydrophobicContact CD1-CD1 4.25Å; L13-L174 HydrophobicContact CD1-CD2 3.87Å; T170-L174 HydrophobicContact CG2-CD1 4.03Å; T170-L174 HydrophobicContact CG2-CG 4.31Å; T170-L174 VanDerWaalsContact O-CG 3.29Å; T170-L174 WeakPolarHBondContact O-CG 3.41Å; T170-L174 PolarHBondContact O-N 3.07Å; L174-R176 PolarHBondContact O-N 2.95Å; L174-L177 HydrophobicContact CD2-CD1 4.1Å; L174-L177 PolarHBondContact O-N 3.08Å; L174-L182 HydrophobicContact CB-CD2 4.17Å; L174-L182 HydrophobicContact CD2-CD2 3.89Å; L174-L185 HydrophobicContact CD2-CD2 3.84Å
175K91.9Very high93.8Very high164 Ų16456.5 Ų56.571%0.71327%0.274SS*.Hα-helixtrans-63.6-25.1173.3-90.2-178.6175.8179.50113.4R6 Y171 S172 L173R6-K175 PolarHBondContact NH2-O 3.4Å; Y171-K175 WeakPolarHBondContact O-CB 3.28Å; Y171-K175 WeakPolarHBondContact O-CG 3.29Å; Y171-K175 PolarHBondContact O-N 2.99Å; S172-K175 PolarHBondContact O-N 3.46Å; L173-K175 PolarHBondContact O-N 3.12Å
176R92.5Very high94.2Very high111 Ų11153.2 Ų53.242%0.41926%0.259SS..Hα-helixtrans-78.3-18.9177.8-62.2173.4178.3179.9-1113L173 L174 I202 T205L173-R176 WeakPolarHBondContact O-CB 3.29Å; L173-R176 PolarHBondContact O-N 3.01Å; L174-R176 PolarHBondContact O-N 2.95Å; R176-I202 HydrophobicContact CB-CD1 3.92Å; R176-T205 PolarHBondContact NH1-O 3.36Å; R176-T205 VanDerWaalsContact NH1-O 3.13Å
177L95.1Very high94.4Very high6 Ų657.8 Ų57.83%0.03128%0.279CS..SBendtrans-83.1143.1-178.1-63.2177.9000111.9R6 L173 L174 A181 L182 L185 V200 I202R6-L177 PolarHBondContact NH1-O 3.3Å; R6-L177 PolarHBondContact NH2-O 3.19Å; L173-L177 HydrophobicContact CD2-CD1 4.26Å; L174-L177 HydrophobicContact CD2-CD1 4.1Å; L174-L177 PolarHBondContact O-N 3.08Å; L177-A181 HydrophobicContact CB-CB 4.22Å; L177-A181 HydrophobicContact CD2-CB 4.4Å; L177-L182 HydrophobicContact CB-CD2 3.95Å; L177-L182 HydrophobicContact CB-CG 3.96Å; L177-L182 HydrophobicContact CD1-CD2 3.96Å; L177-L185 HydrophobicContact CD1-CD2 3.97Å; L177-V200 HydrophobicContact CD1-CG1 4.1Å; L177-V200 HydrophobicContact CD2-CG1 3.93Å; L177-I202 HydrophobicContact CD2-CB 4.19Å; L177-I202 HydrophobicContact CD2-CD1 4.07Å; L177-I202 HydrophobicContact CD2-CG1 4.35Å
178K95.1Very high94.7Very high175 Ų17553.2 Ų53.276%0.76126%0.259SS*.  trans-71.9163.5169.9-65.2-176.6-178.9179.40110.7K180 A181 L182K178-K180 PolarHBondContact O-N 2.99Å; K178-A181 WeakPolarHBondContact O-CB 3.43Å; K178-A181 PolarHBondContact O-N 3.07Å; K178-A181 VanDerWaalsContact O-N 3.12Å; K178-L182 PolarHBondContact O-N 2.94Å
179E95.6Very high94.9Very high75 Ų7550.5 Ų50.535%0.3524%0.236SC..Hα-helixtrans-57.9-47.6-176.9-167.2172.3126.100113K5 L9 A181 L182 D183K5-E179 WeakPolarHBondContact CD-OE1 3.32Å; K5-E179 WeakPolarHBondContact CE-OE1 3.44Å; K5-E179 VanDerWaalsContact CG-OE1 3.32Å; K5-E179 WeakPolarHBondContact CG-OE1 3.06Å; K5-E179 IonicContact NZ-OE1 2.91Å; K5-E179 PolarHBondContact NZ-OE1 3.22Å; L9-E179 HydrophobicContact CD1-CG 3.81Å; E179-A181 VanDerWaalsContact C-N 3.27Å; E179-A181 PolarHBondContact O-N 3.49Å; E179-L182 WeakPolarHBondContact O-CB 3.21Å; E179-L182 PolarHBondContact O-N 3.14Å; E179-D183 PolarHBondContact O-N 2.88Å
180K96.1Very high94.9Very high169 Ų16954.3 Ų54.374%0.73525%0.252SS*.Hα-helixtrans-55.5-41.2175.1-173.6178.4-179.9179.70112.7K178 L182 D183 T184K178-K180 PolarHBondContact O-N 2.99Å; K180-L182 VanDerWaalsContact C-N 3.34Å; K180-D183 PolarHBondContact O-N 3.08Å; K180-T184 PolarHBondContact O-N 3.42Å; K180-T184 PolarHBondContact O-OG1 2.92Å; K180-T184 VanDerWaalsContact O-OG1 3.06Å
181A96.8Very high94.8Very high24 Ų2455.5 Ų55.520%0.19826%0.261CS..Hα-helixtrans-68.3-32.9178.400000112.5L177 K178 E179 L185 V200L177-A181 HydrophobicContact CB-CB 4.22Å; L177-A181 HydrophobicContact CD2-CB 4.4Å; K178-A181 WeakPolarHBondContact O-CB 3.43Å; K178-A181 PolarHBondContact O-N 3.07Å; K178-A181 VanDerWaalsContact O-N 3.12Å; E179-A181 VanDerWaalsContact C-N 3.27Å; E179-A181 PolarHBondContact O-N 3.49Å; A181-L185 WeakPolarHBondContact O-CB 3.49Å; A181-L185 PolarHBondContact O-N 3.43Å; A181-V200 HydrophobicContact CB-CG1 4.08Å
182L97.3Very high94.5Very high0 Ų060.9 Ų60.90%028%0.281CS..Hα-helixtrans-69.9-40.9172.8-70.4169.3000111.9R6 L9 V10 L13 L174 L177 K178 E179 K180 L185 L186R6-L182 HydrophobicContact CG-CD1 4.07Å; R6-L182 VanDerWaalsContact NH1-CD1 3.34Å; L9-L182 HydrophobicContact CB-CB 4.14Å; L9-L182 HydrophobicContact CD1-CB 3.85Å; V10-L182 HydrophobicContact CG2-CD1 4.06Å; V10-L182 HydrophobicContact CG2-CD2 4.38Å; L13-L182 HydrophobicContact CD1-CD2 3.72Å; L174-L182 HydrophobicContact CB-CD2 4.17Å; L174-L182 HydrophobicContact CD2-CD2 3.89Å; L177-L182 HydrophobicContact CB-CD2 3.95Å; L177-L182 HydrophobicContact CB-CG 3.96Å; L177-L182 HydrophobicContact CD1-CD2 3.96Å; K178-L182 PolarHBondContact O-N 2.94Å; E179-L182 WeakPolarHBondContact O-CB 3.21Å; E179-L182 PolarHBondContact O-N 3.14Å; K180-L182 VanDerWaalsContact C-N 3.34Å; L182-L185 PolarHBondContact O-N 3.41Å; L182-L186 VanDerWaalsContact O-CB 3.28Å; L182-L186 WeakPolarHBondContact O-CB 3.5Å; L182-L186 PolarHBondContact O-N 2.92Å
183D96.6Very high94Very high39 Ų3959.3 Ų59.321%0.20927%0.273CS..Hα-helixtrans-59.2-52.1174.3-76.4-49.9000109.9K5 L9 E179 K180 L185 L186 E187K5-D183 IonicContact NZ-OD1 3.22Å; K5-D183 IonicContact NZ-OD2 2.76Å; K5-D183 PolarHBondContact NZ-OD2 2.91Å; L9-D183 WeakPolarHBondContact CD1-OD1 3.34Å; L9-D183 WeakPolarHBondContact CD2-OD1 3.23Å; E179-D183 PolarHBondContact O-N 2.88Å; K180-D183 PolarHBondContact O-N 3.08Å; D183-L185 PolarHBondContact O-N 3.5Å; D183-L186 WeakPolarHBondContact O-CB 3.49Å; D183-L186 PolarHBondContact O-N 3.41Å; D183-L186 VanDerWaalsContact O-N 3.12Å; D183-E187 PolarHBondContact O-N 2.68Å
184T96.7Very high93.4Very high23 Ų2359.3 Ų59.314%0.14127%0.273CS..Hα-helixtrans-57.9-44.3176.7-57.40000112.8K180 L186 E187 A188 D198 V200K180-T184 PolarHBondContact O-N 3.42Å; K180-T184 PolarHBondContact O-OG1 2.92Å; K180-T184 VanDerWaalsContact O-OG1 3.06Å; T184-L186 VanDerWaalsContact C-N 3.31Å; T184-L186 PolarHBondContact O-N 2.84Å; T184-E187 PolarHBondContact O-N 3.33Å; T184-A188 WeakPolarHBondContact O-CB 3.34Å; T184-A188 PolarHBondContact O-N 2.87Å; T184-D198 HydrophobicContact CG2-CB 3.9Å; T184-V200 HydrophobicContact CG2-CG2 3.85Å
185L97.1Very high92.9Very high0 Ų062 Ų620%029%0.287CS..Hα-helixtrans-63.6-39.5177.8-176.460.6000111.5L13 L174 L177 A181 L182 D183 A188 V189 V200 V220L13-L185 HydrophobicContact CD1-CD2 4.24Å; L13-L185 HydrophobicContact CD2-CB 4.43Å; L13-L185 HydrophobicContact CD2-CD2 4.21Å; L13-L185 HydrophobicContact CD2-CG 3.93Å; L174-L185 HydrophobicContact CD2-CD2 3.84Å; L177-L185 HydrophobicContact CD1-CD2 3.97Å; A181-L185 WeakPolarHBondContact O-CB 3.49Å; A181-L185 PolarHBondContact O-N 3.43Å; L182-L185 PolarHBondContact O-N 3.41Å; D183-L185 PolarHBondContact O-N 3.5Å; L185-A188 PolarHBondContact O-N 3.08Å; L185-V189 HydrophobicContact CD1-CG2 4.39Å; L185-V189 VanDerWaalsContact O-CG2 3.29Å; L185-V189 WeakPolarHBondContact O-CG2 3.47Å; L185-V189 PolarHBondContact O-N 3.07Å; L185-V200 HydrophobicContact CB-CG2 4.07Å; L185-V200 HydrophobicContact CD1-CG2 4.45Å; L185-V220 HydrophobicContact CD1-CG1 4.4Å
186L96.7Very high92.7Very high4 Ų458.7 Ų58.72%0.02128%0.282CS..Hα-helixtrans-66.5-44.7-179.8179.862.2000111.5L9 R12 L13 L182 D183 T184 A188 V189 E190L9-L186 HydrophobicContact CD2-CD2 3.66Å; R12-L186 HydrophobicContact CB-CD1 3.81Å; R12-L186 HydrophobicContact CB-CD2 3.87Å; L13-L186 HydrophobicContact CD2-CB 3.96Å; L13-L186 HydrophobicContact CD2-CD1 3.94Å; L13-L186 HydrophobicContact CG-CB 4.1Å; L13-L186 HydrophobicContact CG-CD1 3.93Å; L182-L186 VanDerWaalsContact O-CB 3.28Å; L182-L186 WeakPolarHBondContact O-CB 3.5Å; L182-L186 PolarHBondContact O-N 2.92Å; D183-L186 WeakPolarHBondContact O-CB 3.49Å; D183-L186 PolarHBondContact O-N 3.41Å; D183-L186 VanDerWaalsContact O-N 3.12Å; T184-L186 VanDerWaalsContact C-N 3.31Å; T184-L186 PolarHBondContact O-N 2.84Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-A188 PolarHBondContact O-N 3.45Å; L186-V189 PolarHBondContact O-N 3.3Å; L186-E190 HydrophobicContact CD1-CG 3.94Å; L186-E190 WeakPolarHBondContact CD1-OE1 3.37Å; L186-E190 HydrophobicContact CG-CG 4.4Å; L186-E190 WeakPolarHBondContact O-CB 3.48Å; L186-E190 WeakPolarHBondContact O-CG 3.41Å; L186-E190 PolarHBondContact O-N 3.23Å
187E94.9Very high92.6Very high131 Ų13155 Ų5561%0.61227%0.273SS*.Hα-helixtrans-59.9-43.1174.8-71.3174.317900111.7D183 T184 V189 S191D183-E187 PolarHBondContact O-N 2.68Å; T184-E187 PolarHBondContact O-N 3.33Å; E187-V189 VanDerWaalsContact C-N 3.35Å; E187-V189 PolarHBondContact O-N 2.96Å; E187-S191 WeakPolarHBondContact O-CB 3.46Å; E187-S191 PolarHBondContact O-N 3.38Å; E187-S191 PolarHBondContact O-OG 3.41Å
188A94.9Very high92.6Very high0 Ų060.4 Ų60.40%030%0.302CS..Hα-helixtrans-61.6-42.6175.900000112.1T184 L185 L186 S191 R192 N255 Y257T184-A188 WeakPolarHBondContact O-CB 3.34Å; T184-A188 PolarHBondContact O-N 2.87Å; L185-A188 PolarHBondContact O-N 3.08Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-A188 PolarHBondContact O-N 3.45Å; A188-S191 PolarHBondContact O-OG 2.78Å; A188-S191 VanDerWaalsContact O-OG 3.1Å; A188-R192 PolarHBondContact O-N 3.32Å; A188-N255 WeakPolarHBondContact CB-ND2 3.33Å; A188-N255 WeakPolarHBondContact CB-OD1 3.35Å; A188-Y257 VanDerWaalsContact O-CD2 3.23Å; A188-Y257 WeakPolarHBondContact O-CD2 3.5Å; A188-Y257 WeakPolarHBondContact O-CE2 3.49Å
189V95.6Very high92.7Very high7 Ų753.3 Ų53.34%0.04227%0.274CS..Hα-helixtrans-69.3-44.4179.2170.80000112.3L13 L185 L186 E187 R192 Y224 P256L13-V189 HydrophobicContact CD2-CG2 4.35Å; L185-V189 HydrophobicContact CD1-CG2 4.39Å; L185-V189 VanDerWaalsContact O-CG2 3.29Å; L185-V189 WeakPolarHBondContact O-CG2 3.47Å; L185-V189 PolarHBondContact O-N 3.07Å; L186-V189 PolarHBondContact O-N 3.3Å; E187-V189 VanDerWaalsContact C-N 3.35Å; E187-V189 PolarHBondContact O-N 2.96Å; V189-R192 PolarHBondContact O-N 3.05Å; V189-Y224 HydrophobicContact CB-CD1 4.44Å; V189-Y224 HydrophobicContact CG1-CD1 3.53Å; V189-Y224 HydrophobicContact CG1-CE1 3.89Å; V189-Y224 HydrophobicContact CG1-CG 4.15Å; V189-Y224 HydrophobicContact CG2-CD1 3.96Å; V189-Y224 HydrophobicContact CG2-CD2 4.03Å; V189-Y224 HydrophobicContact CG2-CE1 4.25Å; V189-Y224 HydrophobicContact CG2-CE2 4.32Å; V189-Y224 HydrophobicContact CG2-CG 3.86Å; V189-P256 HydrophobicContact CG2-CG 4.05Å
190E93.5Very high92.8Very high85 Ų8549.9 Ų49.940%0.39726%0.258SS..Hα-helixtrans-71.7-33.4-178.5-71.4-179.1163.500112.4R12 L186 R192R12-E190 IonicContact CZ-OE1 2.76Å; R12-E190 IonicContact CZ-OE2 3.48Å; R12-E190 IonicContact NE-OE1 2.77Å; R12-E190 PolarHBondContact NE-OE1 3.19Å; R12-E190 IonicContact NH2-OE1 3.89Å; R12-E190 PolarHBondContact NH2-OE1 2.97Å; R12-E190 IonicContact NH2-OE2 2.77Å; R12-E190 PolarHBondContact NH2-OE2 3.35Å; L186-E190 HydrophobicContact CD1-CG 3.94Å; L186-E190 WeakPolarHBondContact CD1-OE1 3.37Å; L186-E190 HydrophobicContact CG-CG 4.4Å; L186-E190 WeakPolarHBondContact O-CB 3.48Å; L186-E190 WeakPolarHBondContact O-CG 3.41Å; L186-E190 PolarHBondContact O-N 3.23Å; E190-R192 VanDerWaalsContact C-N 3.26Å; E190-R192 PolarHBondContact O-N 3.13Å
191S90.7Very high92.8Very high29 Ų2945 Ų4520%0.20324%0.239CC..Hα-helixtrans-74.8-13.3176.262.80000114.1E187 A188 G193 G194E187-S191 WeakPolarHBondContact O-CB 3.46Å; E187-S191 PolarHBondContact O-N 3.38Å; E187-S191 PolarHBondContact O-OG 3.41Å; A188-S191 PolarHBondContact O-OG 2.78Å; A188-S191 VanDerWaalsContact O-OG 3.1Å; S191-G193 PolarHBondContact O-N 3.43Å; S191-G193 VanDerWaalsContact O-N 3.12Å; S191-G194 PolarHBondContact O-N 3.06Å
192R87.4Confident92.7Very high181 Ų18144.4 Ų44.468%0.68323%0.232SC*.THydrogen-bonded Turntrans52.731.4-178.6-58.2-177.6177.5-160.8-2.2114.7A188 V189 E190 G194 Y257A188-R192 PolarHBondContact O-N 3.32Å; V189-R192 PolarHBondContact O-N 3.05Å; E190-R192 VanDerWaalsContact C-N 3.26Å; E190-R192 PolarHBondContact O-N 3.13Å; R192-G194 VanDerWaalsContact C-N 3.3Å; R192-Y257 WeakPolarHBondContact CA-OH 3.25Å; R192-Y257 HydrophobicContact CB-CE1 4.32Å; R192-Y257 WeakPolarHBondContact O-CE1 3.43Å
193G81.1Confident92.4Very high20 Ų2047.3 Ų47.321%0.20625%0.252CS..THydrogen-bonded Turntrans78.111-176.400000114.6S191 M195S191-G193 PolarHBondContact O-N 3.43Å; S191-G193 VanDerWaalsContact O-N 3.12Å; G193-M195 VanDerWaalsContact C-N 3.25Å
194G80.7Confident92Very high1 Ų150.4 Ų50.41%0.0126%0.261CS..SBendtrans-74.5-15.2172.100000114.3S191 R192 L353 Y382S191-G194 PolarHBondContact O-N 3.06Å; R192-G194 VanDerWaalsContact C-N 3.3Å; G194-L353 WeakPolarHBondContact O-CD1 3.24Å; G194-Y382 WeakPolarHBondContact CA-OH 3.36Å
195M84.4Confident91.5Very high59 Ų5952.9 Ų52.929%0.29128%0.276SS..SBendtrans-126.3141.1178.7-52.8-57.7-6900109.7G193 S197 P354 Q355G193-M195 VanDerWaalsContact C-N 3.25Å; M195-S197 PolarHBondContact O-N 3.38Å; M195-P354 HydrophobicContact SD-CB 4.16Å; M195-P354 HydrophobicContact SD-CG 4.37Å; M195-Q355 HydrophobicContact CE-CB 3.92Å; M195-Q355 HydrophobicContact CE-CG 3.45Å; M195-Q355 VanDerWaalsContact CE-CG 3.45Å
196P87.1Confident90.7Very high94 Ų9459.1 Ų59.161%0.6131%0.306SS*.  trans-54.3138.5167.6-22.233.1000110.1
197S91.8Very high90Very high32 Ų3259.4 Ų59.422%0.22431%0.307CS..  trans-138.7148.4179.653.60000111M195 N255 H258M195-S197 PolarHBondContact O-N 3.38Å; S197-N255 PolarHBondContact OG-ND2 3.26Å; S197-H258 PolarHBondContact O-CE1 2.75Å; S197-H258 PolarHBondContact O-NE2 3.41Å
198D95.3Very high89.2Confident120 Ų12059.5 Ų59.564%0.64231%0.31SS*.  trans-72.4158.6178.8-74.7-32.4000112.5T184 N255 H258T184-D198 HydrophobicContact CG2-CB 3.9Å; D198-N255 PolarHBondContact O-ND2 2.89Å; D198-N255 VanDerWaalsContact O-ND2 3.12Å; D198-H258 VanDerWaalsContact C-CE1 3.4Å; D198-H258 PolarHBondContact O-CE1 3.12Å
199C96.7Very high88.2Confident27 Ų2760.4 Ų60.418%0.18232%0.315CS..  trans-69.6134.1173-63.20000110.7M201 K242 C253 H258C199-M201 HydrophobicContact CB-CG 4.37Å; C199-M201 HydrophobicContact CB-SD 3.8Å; C199-K242 HydrophobicContact CB-CB 4.42Å; C199-K242 HydrophobicContact CB-CD 4.22Å; C199-K242 HydrophobicContact CB-CG 4.36Å; C199-K242 PolarHBondContact SG-N 3.41Å; C199-C253 HydrophobicContact CB-CB 4.4Å; C199-H258 PolarHBondContact N-CE1 3.37Å; C199-H258 PolarHBondContact SG-CE1 3.1Å; C199-H258 PolarHBondContact SG-ND1 3.26Å
200V97.1Very high86.8Confident2 Ų261.7 Ų61.71%0.01233%0.329CS..  trans-100.792.7173.5-175.80000108.5L177 A181 T184 L185 C253 C254 N255L177-V200 HydrophobicContact CD1-CG1 4.1Å; L177-V200 HydrophobicContact CD2-CG1 3.93Å; A181-V200 HydrophobicContact CB-CG1 4.08Å; T184-V200 HydrophobicContact CG2-CG2 3.85Å; L185-V200 HydrophobicContact CB-CG2 4.07Å; L185-V200 HydrophobicContact CD1-CG2 4.45Å; V200-C253 CarbonylContact O-C 3.43Å; V200-C253 WeakPolarHBondContact O-CA 3.46Å; V200-C254 WeakPolarHBondContact CG1-SG 3.43Å; V200-C254 PolarHBondContact O-N 2.78Å; V200-C254 PolarHBondContact O-SG 3.47Å; V200-N255 HydrophobicContact CB-CB 4.49Å; V200-N255 HydrophobicContact CG2-CB 4.28Å
201M96.1Very high85.7Confident66 Ų6660.7 Ų60.733%0.32534%0.342SS..EExtended strand (participates in β ladder)trans-81.6133.6-174.5-56.5-54.9-66.300112C199 K242 T251 C253C199-M201 HydrophobicContact CB-CG 4.37Å; C199-M201 HydrophobicContact CB-SD 3.8Å; M201-K242 HydrophobicContact SD-CB 4.22Å; M201-T251 WeakPolarHBondContact CE-OG1 3.2Å; M201-C253 HydrophobicContact SD-CB 3.95Å
202I94.7Very high85Confident12 Ų1266.2 Ų66.26%0.06236%0.364CS..EExtended strand (participates in β ladder)trans-136.5153.5175.4-169.1169.6000109.8L173 R176 L177 P216 T251 V252 C254L173-I202 HydrophobicContact CD2-CD1 4.35Å; L173-I202 HydrophobicContact CG-CD1 4Å; R176-I202 HydrophobicContact CB-CD1 3.92Å; L177-I202 HydrophobicContact CD2-CB 4.19Å; L177-I202 HydrophobicContact CD2-CD1 4.07Å; L177-I202 HydrophobicContact CD2-CG1 4.35Å; I202-P216 HydrophobicContact CG2-CB 3.7Å; I202-P216 HydrophobicContact CG2-CG 4.11Å; I202-T251 CarbonylContact O-C 3.55Å; I202-T251 WeakPolarHBondContact O-CA 3.41Å; I202-T251 WeakPolarHBondContact O-CB 3.38Å; I202-V252 HydrophobicContact CG2-CG1 4.04Å; I202-V252 WeakPolarHBondContact CG2-O 3.13Å; I202-V252 PolarHBondContact N-O 3.41Å; I202-V252 PolarHBondContact O-N 2.81Å; I202-C254 HydrophobicContact CG2-CB 4.05Å
203S92.3Very high84.7Confident61 Ų6162 Ų6243%0.42736%0.359SS..EExtended strand (participates in β ladder)trans-59.7142.9170.6179.90000110.6T205S203-T205 PolarHBondContact O-N 3.23Å; S203-T205 PolarHBondContact OG-OG1 3.09Å; S203-T205 VanDerWaalsContact OG-OG1 3.09Å
204R88.3Confident85Confident105 Ų10561.3 Ų61.340%0.39635%0.351SS..  trans-70.711.2179.3-156.4-178.3-109.5-168.63.7113.7E206 Q247 P250 V252R204-E206 PolarHBondContact O-N 3.39Å; R204-E206 VanDerWaalsContact O-N 3.11Å; R204-Q247 PolarHBondContact NH1-O 2.99Å; R204-Q247 PolarHBondContact NH2-O 2.81Å; R204-P250 PolarHBondContact N-O 2.92Å; R204-V252 HydrophobicContact CG-CG1 4.49Å
205T85.4Confident85.5Confident74 Ų7462.1 Ų62.145%0.45436%0.356SS..  trans-52.5119.7176.9-44.70000111R176 S203R176-T205 PolarHBondContact NH1-O 3.36Å; R176-T205 VanDerWaalsContact NH1-O 3.13Å; S203-T205 PolarHBondContact O-N 3.23Å; S203-T205 PolarHBondContact OG-OG1 3.09Å; S203-T205 VanDerWaalsContact OG-OG1 3.09Å
206E80.5Confident85.9Confident132 Ų13259.3 Ų59.362%0.61734%0.342SS*.  trans-61.2152.1-177.5-65.7175.516200112.4R204 V213R204-E206 PolarHBondContact O-N 3.39Å; R204-E206 VanDerWaalsContact O-N 3.11Å; E206-V213 HydrophobicContact CB-CG1 3.57Å; E206-V213 HydrophobicContact CG-CG1 3.53Å; E206-V213 WeakPolarHBondContact OE2-CG1 3.19Å
207L81.7Confident86.3Confident9 Ų955.4 Ų55.45%0.04732%0.316CS..EExtended strand (participates in β ladder)trans-119.4156.4178-65.4162.2000108.7L173 V213 A214 L219L173-L207 HydrophobicContact CB-CD1 3.92Å; L173-L207 HydrophobicContact CD1-CD1 3.72Å; L173-L207 HydrophobicContact CG-CD1 4.23Å; L207-V213 CarbonylContact O-C 3.59Å; L207-V213 WeakPolarHBondContact O-CA 3.22Å; L207-A214 PolarHBondContact N-O 3.2Å; L207-A214 PolarHBondContact O-N 3.14Å; L207-L219 HydrophobicContact CD1-CD2 3.67Å
208I77Confident86.4Confident133 Ų13354.7 Ų54.768%0.68231%0.31SS*.EExtended strand (participates in β ladder)trans-102.2128.1175.8-56.3176.1000108.5H212I208-H212 CarbonylContact C-O 3.48Å; I208-H212 WeakPolarHBondContact CA-O 3.45Å
209L74.9Confident86.3Confident20 Ų2049 Ų4911%0.10528%0.279CS..EExtended strand (participates in β ladder)trans-143.3120178.1-179.872.8000108.9L166 A169 G211 H212 A214 L219 K222L166-L209 VanDerWaalsContact CA-CD1 3.5Å; L166-L209 HydrophobicContact CB-CD1 4.1Å; L166-L209 HydrophobicContact CD1-CD1 3.85Å; L166-L209 HydrophobicContact CD1-CD2 4.23Å; A169-L209 HydrophobicContact CB-CD1 4.08Å; L209-G211 VanDerWaalsContact C-N 3.25Å; L209-G211 PolarHBondContact O-N 3.45Å; L209-H212 PolarHBondContact N-O 3.16Å; L209-H212 PolarHBondContact O-N 3.27Å; L209-A214 HydrophobicContact CB-CB 3.99Å; L209-A214 HydrophobicContact CD2-CB 4.48Å; L209-L219 HydrophobicContact CD1-CD1 4.46Å; L209-L219 HydrophobicContact CD2-CD1 4.19Å; L209-K222 HydrophobicContact CD2-CD 4.46Å
210G66.1Low86.3Confident33 Ų3347.9 Ų47.934%0.3427%0.272SS..THydrogen-bonded Turntrans66.726.2-179.900000113.5E165 H212E165-G210 WeakPolarHBondContact OE2-CA 3.31Å; E165-G210 PolarHBondContact OE2-N 2.92Å; G210-H212 PolarHBondContact O-CD2 3.49Å; G210-H212 PolarHBondContact O-N 3.32Å
211G69.9Low86.2Confident65 Ų6547.8 Ų47.867%0.6727%0.271SS*.THydrogen-bonded Turntrans71.60.6-168.600000114.9L209L209-G211 VanDerWaalsContact C-N 3.25Å; L209-G211 PolarHBondContact O-N 3.45Å
212H76.6Confident86.1Confident144 Ų14446.8 Ų46.867%0.66727%0.265SS*.EExtended strand (participates in β ladder)trans-106.9151.9179.2-64.7-73000112.7I208 L209 G210 A214I208-H212 CarbonylContact C-O 3.48Å; I208-H212 WeakPolarHBondContact CA-O 3.45Å; L209-H212 PolarHBondContact N-O 3.16Å; L209-H212 PolarHBondContact O-N 3.27Å; G210-H212 PolarHBondContact O-CD2 3.49Å; G210-H212 PolarHBondContact O-N 3.32Å; H212-A214 PolarHBondContact O-N 3.04Å
213V81.8Confident86.2Confident93 Ų9346.4 Ų46.456%0.56426%0.263SS*.EExtended strand (participates in β ladder)trans-72.3122.1173.3178.40000109.5E206 L207E206-V213 HydrophobicContact CB-CG1 3.57Å; E206-V213 HydrophobicContact CG-CG1 3.53Å; E206-V213 WeakPolarHBondContact OE2-CG1 3.19Å; L207-V213 CarbonylContact O-C 3.59Å; L207-V213 WeakPolarHBondContact O-CA 3.22Å
214A85.8Confident86.3Confident5 Ų544 Ų444%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-120.3134.7179.800000111.4L207 L209 H212 L218L207-A214 PolarHBondContact N-O 3.2Å; L207-A214 PolarHBondContact O-N 3.14Å; L209-A214 HydrophobicContact CB-CB 3.99Å; L209-A214 HydrophobicContact CD2-CB 4.48Å; H212-A214 PolarHBondContact O-N 3.04Å; A214-L218 HydrophobicContact CB-CD2 4.41Å
215S91.4Very high86.6Confident18 Ų1840.7 Ų40.713%0.12623%0.232CC..  trans-75.9151.4173.671.30000111.2Q217 L218 L219 T232S215-Q217 VanDerWaalsContact C-N 3.3Å; S215-Q217 PolarHBondContact O-N 3.43Å; S215-Q217 VanDerWaalsContact OG-CD 3.28Å; S215-Q217 PolarHBondContact OG-NE2 3.37Å; S215-L218 PolarHBondContact O-N 3.28Å; S215-L218 WeakPolarHBondContact OG-CB 3.35Å; S215-L218 PolarHBondContact OG-N 2.78Å; S215-L219 PolarHBondContact O-N 3.39Å; S215-T232 PolarHBondContact OG-OG1 3.26Å
216P93.8Very high87.1Confident0 Ų038.1 Ų38.10%021%0.214CC..Hα-helixtrans-55-42.8178.2-27.635.3000113.5L173 I202 L219 V220 V252L173-P216 HydrophobicContact CD1-CB 3.82Å; I202-P216 HydrophobicContact CG2-CB 3.7Å; I202-P216 HydrophobicContact CG2-CG 4.11Å; P216-L219 PolarHBondContact O-N 2.97Å; P216-V220 WeakPolarHBondContact O-CG2 3.08Å; P216-V220 PolarHBondContact O-N 3.11Å; P216-V220 VanDerWaalsContact O-N 3.07Å; P216-V252 HydrophobicContact CB-CG1 4.11Å; P216-V252 HydrophobicContact CG-CG1 4.1Å
217Q94.3Very high87.6Confident12 Ų1234.1 Ų34.16%0.05620%0.204CC..Hα-helixtrans-68.8-36.7179.466.1-82.115.900112.9S215 C221 T232 L235 V252 Y259S215-Q217 VanDerWaalsContact C-N 3.3Å; S215-Q217 PolarHBondContact O-N 3.43Å; S215-Q217 VanDerWaalsContact OG-CD 3.28Å; S215-Q217 PolarHBondContact OG-NE2 3.37Å; Q217-C221 VanDerWaalsContact O-CB 3.29Å; Q217-C221 WeakPolarHBondContact O-CB 3.34Å; Q217-C221 PolarHBondContact O-N 3.37Å; Q217-C221 PolarHBondContact O-SG 2.97Å; Q217-T232 HydrophobicContact CG-CG2 4.23Å; Q217-L235 HydrophobicContact CG-CD1 4.42Å; Q217-V252 HydrophobicContact CB-CG2 4.39Å; Q217-V252 HydrophobicContact CG-CG2 4.28Å; Q217-V252 VanDerWaalsContact OE1-CG1 3.32Å; Q217-V252 VanDerWaalsContact OE1-CG2 3.3Å; Q217-Y259 HydrophobicContact CB-CE1 4.21Å; Q217-Y259 HydrophobicContact CB-CE2 3.91Å; Q217-Y259 HydrophobicContact CG-CE1 4.21Å
218L93.9Very high88Confident17 Ų1737.7 Ų37.79%0.08922%0.223CC..Hα-helixtrans-62.2-49175.1175.968.7000110A214 S215 C221 K222 L229A214-L218 HydrophobicContact CB-CD2 4.41Å; S215-L218 PolarHBondContact O-N 3.28Å; S215-L218 WeakPolarHBondContact OG-CB 3.35Å; S215-L218 PolarHBondContact OG-N 2.78Å; L218-C221 PolarHBondContact O-N 3Å; L218-K222 VanDerWaalsContact O-CB 3.24Å; L218-K222 WeakPolarHBondContact O-CB 3.44Å; L218-K222 PolarHBondContact O-N 3.36Å; L218-L229 HydrophobicContact CD1-CD2 3.63Å; L218-L229 HydrophobicContact CD1-CG 3.71Å
219L94.6Very high88.7Confident0 Ų031.3 Ų31.30%019%0.19CC..Hα-helixtrans-59.8-50-179.6178.162.3000111.5L166 A169 L173 L207 L209 S215 P216 K222 V223L166-L219 HydrophobicContact CD1-CD1 3.61Å; A169-L219 HydrophobicContact CB-CD1 4.22Å; A169-L219 HydrophobicContact CB-CD2 3.94Å; L173-L219 HydrophobicContact CB-CD2 4.21Å; L173-L219 HydrophobicContact CD1-CD2 3.95Å; L207-L219 HydrophobicContact CD1-CD2 3.67Å; L209-L219 HydrophobicContact CD1-CD1 4.46Å; L209-L219 HydrophobicContact CD2-CD1 4.19Å; S215-L219 PolarHBondContact O-N 3.39Å; P216-L219 PolarHBondContact O-N 2.97Å; L219-K222 PolarHBondContact O-N 2.83Å; L219-V223 HydrophobicContact CD1-CG2 4.16Å; L219-V223 VanDerWaalsContact O-CG2 3.24Å; L219-V223 WeakPolarHBondContact O-CG2 3.44Å; L219-V223 PolarHBondContact O-N 3.47Å
220V95.6Very high89.3Confident5 Ų535.4 Ų35.43%0.0321%0.209CC..Hα-helixtrans-68.2-40.1-176.6-177.40000111.5L173 L185 P216 K222 V223 Y224 C254 P256L173-V220 HydrophobicContact CD1-CG2 3.69Å; L173-V220 HydrophobicContact CD2-CG2 3.95Å; L185-V220 HydrophobicContact CD1-CG1 4.4Å; P216-V220 WeakPolarHBondContact O-CG2 3.08Å; P216-V220 PolarHBondContact O-N 3.11Å; P216-V220 VanDerWaalsContact O-N 3.07Å; V220-K222 VanDerWaalsContact C-N 3.32Å; V220-K222 PolarHBondContact O-N 3.22Å; V220-V223 PolarHBondContact O-N 3.14Å; V220-Y224 HydrophobicContact CG1-CD2 3.48Å; V220-Y224 VanDerWaalsContact CG1-CD2 3.48Å; V220-Y224 HydrophobicContact CG1-CE2 3.71Å; V220-Y224 WeakPolarHBondContact O-CD2 3.49Å; V220-Y224 PolarHBondContact O-N 3.44Å; V220-Y224 VanDerWaalsContact O-N 3.08Å; V220-C254 WeakPolarHBondContact CG1-O 3.29Å; V220-C254 HydrophobicContact CG2-CB 4.08Å; V220-P256 HydrophobicContact CG1-CB 4.13Å; V220-P256 HydrophobicContact CG1-CG 3.99Å
221C96.1Very high90.4Very high0 Ų039.7 Ų39.70%022%0.22CC..Hα-helixtrans-64.2-37.7173.9-67.50000112.2Q217 L218 R225 W226 L229 L235Q217-C221 VanDerWaalsContact O-CB 3.29Å; Q217-C221 WeakPolarHBondContact O-CB 3.34Å; Q217-C221 PolarHBondContact O-N 3.37Å; Q217-C221 PolarHBondContact O-SG 2.97Å; L218-C221 PolarHBondContact O-N 3Å; C221-R225 WeakPolarHBondContact O-CA 3.41Å; C221-R225 WeakPolarHBondContact O-CB 2.96Å; C221-R225 PolarHBondContact O-N 3.32Å; C221-W226 HydrophobicContact CB-CE3 4Å; C221-W226 HydrophobicContact CB-CZ3 4.04Å; C221-W226 PolarHBondContact O-N 3.4Å; C221-L229 HydrophobicContact CB-CD2 3.69Å; C221-L235 HydrophobicContact CB-CD1 4.06Å; C221-L235 HydrophobicContact CB-CD2 4.2Å
222K94.4Very high91.3Very high45 Ų4539.3 Ų39.320%0.19620%0.204CC..Hα-helixtrans-64.6-40.8177.3-170.6168.5-171.41480112.3L209 L218 L219 V220 W226 A227 L229L209-K222 HydrophobicContact CD2-CD 4.46Å; L218-K222 VanDerWaalsContact O-CB 3.24Å; L218-K222 WeakPolarHBondContact O-CB 3.44Å; L218-K222 PolarHBondContact O-N 3.36Å; L219-K222 PolarHBondContact O-N 2.83Å; V220-K222 VanDerWaalsContact C-N 3.32Å; V220-K222 PolarHBondContact O-N 3.22Å; K222-W226 WeakPolarHBondContact CA-O 3.47Å; K222-A227 VanDerWaalsContact CE-O 3.3Å; K222-A227 WeakPolarHBondContact CE-O 3.42Å; K222-L229 HydrophobicContact CB-CB 4.45Å; K222-L229 WeakPolarHBondContact CD-O 3.37Å; K222-L229 WeakPolarHBondContact CE-O 3.5Å; K222-L229 PolarHBondContact NZ-O 3.34Å
223V94.9Very high92Very high4 Ų436.4 Ų36.42%0.02421%0.206CC..Hα-helixtrans-71.7-38.9-179.1172.80000112.5R17 L18 L166 T170 L219 V220R17-V223 HydrophobicContact CB-CG1 3.64Å; L18-V223 PolarHBondContact N-O 2.95Å; L166-V223 HydrophobicContact CD1-CG2 3.77Å; L166-V223 HydrophobicContact CD2-CG2 4.33Å; L166-V223 HydrophobicContact CG-CG2 4.09Å; T170-V223 WeakPolarHBondContact OG1-CG2 3.18Å; L219-V223 HydrophobicContact CD1-CG2 4.16Å; L219-V223 VanDerWaalsContact O-CG2 3.24Å; L219-V223 WeakPolarHBondContact O-CG2 3.44Å; L219-V223 PolarHBondContact O-N 3.47Å; V220-V223 PolarHBondContact O-N 3.14Å
224Y96.1Very high92.6Very high9 Ų934.8 Ų34.84%0.03519%0.192CC..Hα-helixtrans-109.1-15.9-170.3-62-67.1000115.4L13 R17 L18 V189 V220 P256L13-Y224 WeakPolarHBondContact CB-OH 3.06Å; L13-Y224 VanDerWaalsContact O-CE1 3.28Å; L13-Y224 WeakPolarHBondContact O-CE1 3.22Å; L13-Y224 PolarHBondContact O-OH 3.18Å; R17-Y224 HydrophobicContact CB-CE1 4.41Å; L18-Y224 WeakPolarHBondContact CG-O 3.46Å; V189-Y224 HydrophobicContact CB-CD1 4.44Å; V189-Y224 HydrophobicContact CG1-CD1 3.53Å; V189-Y224 HydrophobicContact CG1-CE1 3.89Å; V189-Y224 HydrophobicContact CG1-CG 4.15Å; V189-Y224 HydrophobicContact CG2-CD1 3.96Å; V189-Y224 HydrophobicContact CG2-CD2 4.03Å; V189-Y224 HydrophobicContact CG2-CE1 4.25Å; V189-Y224 HydrophobicContact CG2-CE2 4.32Å; V189-Y224 HydrophobicContact CG2-CG 3.86Å; V220-Y224 HydrophobicContact CG1-CD2 3.48Å; V220-Y224 VanDerWaalsContact CG1-CD2 3.48Å; V220-Y224 HydrophobicContact CG1-CE2 3.71Å; V220-Y224 WeakPolarHBondContact O-CD2 3.49Å; V220-Y224 PolarHBondContact O-N 3.44Å; V220-Y224 VanDerWaalsContact O-N 3.08Å; Y224-P256 HydrophobicContact CD2-CG 4.21Å; Y224-P256 HydrophobicContact CG-CG 4.46Å
225R94.8Very high93Very high36 Ų3635.2 Ų35.214%0.13619%0.193CC..THydrogen-bonded Turntrans-132.1-43.3-172.2-62.4-168.469.7-175.41.9115.8L18 C221 P256 Y259 Y396L18-R225 VanDerWaalsContact CD1-CA 3.45Å; L18-R225 VanDerWaalsContact CD1-N 3.32Å; L18-R225 VanDerWaalsContact CD1-O 3.24Å; L18-R225 WeakPolarHBondContact CD1-O 3.43Å; C221-R225 WeakPolarHBondContact O-CA 3.41Å; C221-R225 WeakPolarHBondContact O-CB 2.96Å; C221-R225 PolarHBondContact O-N 3.32Å; R225-P256 WeakPolarHBondContact CD-O 3.38Å; R225-P256 HydrophobicContact CG-CB 3.97Å; R225-P256 PolarHBondContact NH1-O 3.3Å; R225-Y259 PolarHBondContact NH1-O 3.29Å; R225-Y396 PolarHBondContact NH1-OH 2.88Å; R225-Y396 PolarHBondContact NH2-OH 2.9Å
226W94.3Very high93.2Very high21 Ų2135.3 Ų35.38%0.0819%0.192CC..  trans-142.996.5-174-55.4-66.8000111.8C221 K222 D228 L229 L235 R261 G426C221-W226 HydrophobicContact CB-CE3 4Å; C221-W226 HydrophobicContact CB-CZ3 4.04Å; C221-W226 PolarHBondContact O-N 3.4Å; K222-W226 WeakPolarHBondContact CA-O 3.47Å; W226-D228 PolarHBondContact O-N 3.36Å; W226-L229 HydrophobicContact CB-CB 4.04Å; W226-L229 HydrophobicContact CE3-CD2 4.37Å; W226-L229 WeakPolarHBondContact O-CB 3.38Å; W226-L229 PolarHBondContact O-N 3.46Å; W226-L229 VanDerWaalsContact O-N 3.11Å; W226-L235 HydrophobicContact CE3-CD2 3.95Å; W226-L235 HydrophobicContact CH2-CD2 4.5Å; W226-L235 HydrophobicContact CZ3-CD2 3.56Å; W226-R261 HydrophobicContact CD2-CB 4.36Å; W226-R261 HydrophobicContact CH2-CB 4.22Å; W226-R261 HydrophobicContact CZ2-CB 3.96Å; W226-G426 VanDerWaalsContact CZ2-O 3.27Å; W226-G426 WeakPolarHBondContact CZ2-O 3.24Å
227A91.9Very high93.3Very high47 Ų4737 Ų3739%0.38820%0.202SC..THydrogen-bonded Turntrans-62-27.8-177.900000113.4P20 K222 L229P20-A227 HydrophobicContact CG-CB 4.46Å; K222-A227 VanDerWaalsContact CE-O 3.3Å; K222-A227 WeakPolarHBondContact CE-O 3.42Å; A227-L229 VanDerWaalsContact C-N 3.31Å
228D90.9Very high93.4Very high84 Ų8436.9 Ų36.945%0.44920%0.202SC..THydrogen-bonded Turntrans-84.81.8179.769.6-48.1000113.8W226 Q230 R261W226-D228 PolarHBondContact O-N 3.36Å; D228-Q230 WeakPolarHBondContact O-CG 3.33Å; D228-Q230 PolarHBondContact O-N 2.99Å; D228-Q230 PolarHBondContact O-NE2 3.1Å; D228-R261 IonicContact OD1-CZ 2.73Å; D228-R261 IonicContact OD1-NH1 3.77Å; D228-R261 PolarHBondContact OD1-NH1 2.87Å; D228-R261 IonicContact OD2-CZ 2.77Å; D228-R261 VanDerWaalsContact OD2-CZ 3.22Å; D228-R261 IonicContact OD2-NH1 2.89Å; D228-R261 PolarHBondContact OD2-NH1 2.86Å; D228-R261 IonicContact OD2-NH2 2.69Å; D228-R261 PolarHBondContact OD2-NH2 3.07Å
229L90.9Very high93.4Very high0 Ų037.8 Ų37.80%021%0.209CC..  trans-66.4127.8180-167.572.7000111.1L218 C221 K222 W226 A227 Q234 L235L218-L229 HydrophobicContact CD1-CD2 3.63Å; L218-L229 HydrophobicContact CD1-CG 3.71Å; C221-L229 HydrophobicContact CB-CD2 3.69Å; K222-L229 HydrophobicContact CB-CB 4.45Å; K222-L229 WeakPolarHBondContact CD-O 3.37Å; K222-L229 WeakPolarHBondContact CE-O 3.5Å; K222-L229 PolarHBondContact NZ-O 3.34Å; W226-L229 HydrophobicContact CB-CB 4.04Å; W226-L229 HydrophobicContact CE3-CD2 4.37Å; W226-L229 WeakPolarHBondContact O-CB 3.38Å; W226-L229 PolarHBondContact O-N 3.46Å; W226-L229 VanDerWaalsContact O-N 3.11Å; A227-L229 VanDerWaalsContact C-N 3.31Å; L229-Q234 HydrophobicContact CD1-CB 3.85Å; L229-L235 HydrophobicContact CD1-CD2 3.96Å; L229-L235 HydrophobicContact CD1-CG 4.29Å; L229-L235 HydrophobicContact CD2-CD1 3.98Å; L229-L235 HydrophobicContact CD2-CD2 3.8Å; L229-L235 HydrophobicContact CD2-CG 4.02Å
230Q87.5Confident93.3Very high105 Ų10543.1 Ų43.149%0.49123%0.234SC..  trans-113-41.7-175.5-56.4-54.9-19.700112.9D228 Q234D228-Q230 WeakPolarHBondContact O-CG 3.33Å; D228-Q230 PolarHBondContact O-N 2.99Å; D228-Q230 PolarHBondContact O-NE2 3.1Å; Q230-Q234 VanDerWaalsContact N-OE1 3.08Å
231H88.4Confident93.3Very high124 Ų12443.1 Ų43.157%0.57424%0.235SC*.  trans-129.7144-170.5-54.2-66.1000112.2A233 Q234H231-A233 PolarHBondContact O-N 3.36Å; H231-Q234 WeakPolarHBondContact O-CB 3.17Å; H231-Q234 PolarHBondContact O-N 2.88Å
232T90.3Very high93.2Very high56 Ų5650.6 Ų50.634%0.34427%0.267SS..G310 helixtrans-59.7-28.7176.1-51.60000111.9S215 Q217 Q234 L235S215-T232 PolarHBondContact OG-OG1 3.26Å; Q217-T232 HydrophobicContact CG-CG2 4.23Å; T232-Q234 PolarHBondContact O-N 2.9Å; T232-Q234 VanDerWaalsContact O-N 3.15Å; T232-L235 WeakPolarHBondContact O-CB 3.24Å; T232-L235 PolarHBondContact O-N 3Å
233A91.1Very high93.2Very high84 Ų8449 Ų4969%0.69426%0.262SS*.G310 helixtrans-61.8-19.2176.300000113.8H231 L235 L262H231-A233 PolarHBondContact O-N 3.36Å; A233-L235 PolarHBondContact O-N 3.48Å; A233-L262 WeakPolarHBondContact O-CD1 3.31Å
234Q93.4Very high93.2Very high58 Ų5852.2 Ų52.227%0.27128%0.275SS..G310 helixtrans-77.9-10.7174.2-62.2175.8-45.800112.4L229 Q230 H231 T232 R261 L262L229-Q234 HydrophobicContact CD1-CB 3.85Å; Q230-Q234 VanDerWaalsContact N-OE1 3.08Å; H231-Q234 WeakPolarHBondContact O-CB 3.17Å; H231-Q234 PolarHBondContact O-N 2.88Å; T232-Q234 PolarHBondContact O-N 2.9Å; T232-Q234 VanDerWaalsContact O-N 3.15Å; Q234-R261 CarbonylContact O-C 3.47Å; Q234-R261 WeakPolarHBondContact O-CA 3.39Å; Q234-L262 PolarHBondContact O-N 3.32Å
235L95.1Very high92.9Very high15 Ų1555.2 Ų55.28%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-102.5134.5-178.6-62.7178.7000111.3Q217 C221 W226 L229 T232 A233 Y259 S260Q217-L235 HydrophobicContact CG-CD1 4.42Å; C221-L235 HydrophobicContact CB-CD1 4.06Å; C221-L235 HydrophobicContact CB-CD2 4.2Å; W226-L235 HydrophobicContact CE3-CD2 3.95Å; W226-L235 HydrophobicContact CH2-CD2 4.5Å; W226-L235 HydrophobicContact CZ3-CD2 3.56Å; L229-L235 HydrophobicContact CD1-CD2 3.96Å; L229-L235 HydrophobicContact CD1-CG 4.29Å; L229-L235 HydrophobicContact CD2-CD1 3.98Å; L229-L235 HydrophobicContact CD2-CD2 3.8Å; L229-L235 HydrophobicContact CD2-CG 4.02Å; T232-L235 WeakPolarHBondContact O-CB 3.24Å; T232-L235 PolarHBondContact O-N 3Å; A233-L235 PolarHBondContact O-N 3.48Å; L235-Y259 HydrophobicContact CB-CD1 4.12Å; L235-S260 WeakPolarHBondContact CA-O 3.46Å
236K95.2Very high92.6Very high20 Ų2055 Ų559%0.08732%0.315CS..EExtended strand (participates in β ladder)trans-115.1120.9169.6177179.4-175.3-65.20109.6Y259 S260 L262 E389 W394K236-Y259 CarbonylContact O-C 3.52Å; K236-Y259 WeakPolarHBondContact O-CA 3.28Å; K236-S260 PolarHBondContact N-O 3.02Å; K236-S260 PolarHBondContact O-N 2.84Å; K236-S260 PolarHBondContact O-OG 3.01Å; K236-L262 HydrophobicContact CB-CD2 3.65Å; K236-L262 HydrophobicContact CB-CG 4.07Å; K236-L262 HydrophobicContact CD-CD2 3.89Å; K236-L262 HydrophobicContact CG-CD2 4.33Å; K236-E389 WeakPolarHBondContact CE-OE2 3.38Å; K236-E389 IonicContact NZ-OE1 3.89Å; K236-E389 PolarHBondContact NZ-OE1 3.46Å; K236-E389 IonicContact NZ-OE2 3.19Å; K236-E389 PolarHBondContact NZ-OE2 3.06Å; K236-W394 HydrophobicContact CD-CD2 4.14Å; K236-W394 HydrophobicContact CD-CE3 3.75Å; K236-W394 HydrophobicContact CD-CH2 3.95Å; K236-W394 HydrophobicContact CD-CZ2 4.3Å; K236-W394 HydrophobicContact CD-CZ3 3.67Å
237P96.4Very high91.9Very high34 Ų3461.2 Ų61.222%0.22135%0.345CS..EExtended strand (participates in β ladder)trans-58.3138167.5-15.326.4000110.4F244 Y259P237-F244 HydrophobicContact CB-CB 4.39Å; P237-F244 HydrophobicContact CB-CD2 4.47Å; P237-F244 WeakPolarHBondContact O-CD2 3.3Å; P237-Y259 HydrophobicContact CB-CD1 4.37Å; P237-Y259 HydrophobicContact CB-CE1 4.12Å; P237-Y259 HydrophobicContact CG-CD1 4.25Å; P237-Y259 HydrophobicContact CG-CE1 3.84Å
238L95.8Very high91.6Very high11 Ų1166.6 Ų66.66%0.05837%0.367CS..  trans-73.6151.4172.4-61.8178.5000110.3E240 C241 F244 Y257 H258 Y396L238-E240 PolarHBondContact O-N 2.99Å; L238-E240 VanDerWaalsContact O-N 3.12Å; L238-C241 WeakPolarHBondContact O-CB 3.41Å; L238-C241 PolarHBondContact O-N 2.76Å; L238-F244 WeakPolarHBondContact O-CB 3.36Å; L238-Y257 VanDerWaalsContact CD1-O 3.3Å; L238-Y257 WeakPolarHBondContact CD1-O 2.99Å; L238-H258 PolarHBondContact N-O 2.74Å; L238-Y396 HydrophobicContact CD1-CD1 3.82Å; L238-Y396 HydrophobicContact CD1-CE1 3.51Å; L238-Y396 HydrophobicContact CD2-CD1 3.64Å; L238-Y396 HydrophobicContact CD2-CD2 4.21Å; L238-Y396 HydrophobicContact CD2-CE1 4.06Å; L238-Y396 HydrophobicContact CD2-CG 3.73Å; L238-Y396 HydrophobicContact CG-CD1 4.41Å; L238-Y396 HydrophobicContact CG-CE1 4.44Å
239C93.9Very high91.5Very high36 Ų3664.2 Ų64.224%0.24336%0.357CS..THydrogen-bonded Turntrans-59.8-24.5-176.5560000114.3C241 F244C239-C241 VanDerWaalsContact C-N 3.27Å; C239-C241 PolarHBondContact O-N 3.36Å; C239-F244 HydrophobicContact CB-CD1 4.43Å; C239-F244 HydrophobicContact CB-CE1 4.32Å; C239-F244 HydrophobicContact CB-CE2 4.47Å; C239-F244 HydrophobicContact CB-CZ 4.35Å
240E92.1Very high91.6Very high111 Ų11169 Ų6952%0.51939%0.388SS..THydrogen-bonded Turntrans-77.4-12.2176.1-61.9169-179.100112.9L238L238-E240 PolarHBondContact O-N 2.99Å; L238-E240 VanDerWaalsContact O-N 3.12Å
241C95.5Very high91.9Very high6 Ų666.5 Ų66.54%0.04138%0.38CS..SBendtrans-83.9137.9-177.2-176.50000111.6L238 C239 S243 F244 C253 H258L238-C241 WeakPolarHBondContact O-CB 3.41Å; L238-C241 PolarHBondContact O-N 2.76Å; C239-C241 VanDerWaalsContact C-N 3.27Å; C239-C241 PolarHBondContact O-N 3.36Å; C241-S243 PolarHBondContact O-N 3.41Å; C241-S243 VanDerWaalsContact O-N 3.09Å; C241-S243 PolarHBondContact SG-N 2.89Å; C241-F244 WeakPolarHBondContact O-CB 3.42Å; C241-F244 PolarHBondContact O-N 2.94Å; C241-C253 VanDerWaalsContact SG-CB 3.51Å; C241-H258 HydrophobicContact CB-CB 3.93Å
242K95.3Very high92.2Very high157 Ų15760.8 Ų60.868%0.68335%0.354SS*.THydrogen-bonded Turntrans-62.2-16.5172.8-67.4-179.6-178.6179.70114.3C199 M201C199-K242 HydrophobicContact CB-CB 4.42Å; C199-K242 HydrophobicContact CB-CD 4.22Å; C199-K242 HydrophobicContact CB-CG 4.36Å; C199-K242 PolarHBondContact SG-N 3.41Å; M201-K242 HydrophobicContact SD-CB 4.22Å
243S94.1Very high92.5Very high12 Ų1258.1 Ų58.18%0.08434%0.338CS..THydrogen-bonded Turntrans-87.3-4.5172.9-64.80000113.6C241 G245 A246 C253C241-S243 PolarHBondContact O-N 3.41Å; C241-S243 VanDerWaalsContact O-N 3.09Å; C241-S243 PolarHBondContact SG-N 2.89Å; S243-G245 PolarHBondContact O-N 3.05Å; S243-A246 PolarHBondContact O-N 3.24Å; S243-C253 WeakPolarHBondContact OG-CB 3.41Å; S243-C253 PolarHBondContact OG-N 2.65Å
244F94.1Very high92.7Very high70 Ų7054.1 Ų54.131%0.30731%0.305SS..THydrogen-bonded Turntrans-65.8128.2172.3-173.9-105000110.3P237 L238 C239 C241 A246 E389P237-F244 HydrophobicContact CB-CB 4.39Å; P237-F244 HydrophobicContact CB-CD2 4.47Å; P237-F244 WeakPolarHBondContact O-CD2 3.3Å; L238-F244 WeakPolarHBondContact O-CB 3.36Å; C239-F244 HydrophobicContact CB-CD1 4.43Å; C239-F244 HydrophobicContact CB-CE1 4.32Å; C239-F244 HydrophobicContact CB-CE2 4.47Å; C239-F244 HydrophobicContact CB-CZ 4.35Å; C241-F244 WeakPolarHBondContact O-CB 3.42Å; C241-F244 PolarHBondContact O-N 2.94Å; F244-A246 PolarHBondContact O-N 3.19Å; F244-E389 HydrophobicContact CE2-CG 4.49Å; F244-E389 VanDerWaalsContact CE2-OE2 3.3Å; F244-E389 WeakPolarHBondContact CE2-OE2 3.2Å; F244-E389 HydrophobicContact CZ-CB 4.43Å; F244-E389 HydrophobicContact CZ-CG 3.88Å; F244-E389 WeakPolarHBondContact CZ-OE2 3.33Å
245G89.1Confident92.9Very high73 Ų7351.4 Ų51.475%0.75329%0.292SS*.THydrogen-bonded Turntrans68.5-4.5-176.300000115.7S243 Q247S243-G245 PolarHBondContact O-N 3.05Å; G245-Q247 PolarHBondContact O-N 3.31Å
246A89.1Confident93Very high30 Ų3050.7 Ų50.725%0.24829%0.288CS..  trans-100.355.1-174.400000112.5S243 F244 D248 S249S243-A246 PolarHBondContact O-N 3.24Å; F244-A246 PolarHBondContact O-N 3.19Å; A246-D248 VanDerWaalsContact C-N 3.25Å; A246-D248 PolarHBondContact O-N 3.12Å; A246-S249 PolarHBondContact O-N 2.81Å
247Q80.1Confident93Very high152 Ų15251.3 Ų51.371%0.7129%0.29SS*.THydrogen-bonded Turntrans-62.4-30.1-174.5-69.6-175.934.900113.4R204 G245R204-Q247 PolarHBondContact NH1-O 2.99Å; R204-Q247 PolarHBondContact NH2-O 2.81Å; G245-Q247 PolarHBondContact O-N 3.31Å
248D84.8Confident93Very high160 Ų16050.4 Ų50.486%0.85628%0.283SS*.THydrogen-bonded Turntrans-1019-176.7-57-44.4000114A246A246-D248 VanDerWaalsContact C-N 3.25Å; A246-D248 PolarHBondContact O-N 3.12Å
249S89.6Confident93.1Very high35 Ų3550.2 Ų50.225%0.24528%0.282CS..  trans-66.9137.6179-1790000111.4A246 T251A246-S249 PolarHBondContact O-N 2.81Å; S249-T251 WeakPolarHBondContact CB-O 3.42Å; S249-T251 PolarHBondContact O-N 3.01Å; S249-T251 VanDerWaalsContact O-N 3.12Å; S249-T251 PolarHBondContact OG-N 2.86Å; S249-T251 PolarHBondContact OG-O 3Å; S249-T251 VanDerWaalsContact OG-O 3.05Å; S249-T251 PolarHBondContact OG-OG1 2.88Å
250P91.9Very high93.3Very high100 Ų10048.5 Ų48.565%0.64927%0.27SS*.SBendtrans-67.1-10.7174.329.4-36.4000112.7R204R204-P250 PolarHBondContact N-O 2.92Å
251T94.4Very high93.4Very high53 Ų5344.3 Ų44.333%0.32525%0.25SC..EExtended strand (participates in β ladder)trans-121.9149.3177.962.70000111.1M201 I202 S249M201-T251 WeakPolarHBondContact CE-OG1 3.2Å; I202-T251 CarbonylContact O-C 3.55Å; I202-T251 WeakPolarHBondContact O-CA 3.41Å; I202-T251 WeakPolarHBondContact O-CB 3.38Å; S249-T251 WeakPolarHBondContact CB-O 3.42Å; S249-T251 PolarHBondContact O-N 3.01Å; S249-T251 VanDerWaalsContact O-N 3.12Å; S249-T251 PolarHBondContact OG-N 2.86Å; S249-T251 PolarHBondContact OG-O 3Å; S249-T251 VanDerWaalsContact OG-O 3.05Å; S249-T251 PolarHBondContact OG-OG1 2.88Å
252V95.3Very high93.4Very high4 Ų447 Ų472%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-133.2145.3179.7670000109.9I202 R204 P216 Q217 Y259I202-V252 HydrophobicContact CG2-CG1 4.04Å; I202-V252 WeakPolarHBondContact CG2-O 3.13Å; I202-V252 PolarHBondContact N-O 3.41Å; I202-V252 PolarHBondContact O-N 2.81Å; R204-V252 HydrophobicContact CG-CG1 4.49Å; P216-V252 HydrophobicContact CB-CG1 4.11Å; P216-V252 HydrophobicContact CG-CG1 4.1Å; Q217-V252 HydrophobicContact CB-CG2 4.39Å; Q217-V252 HydrophobicContact CG-CG2 4.28Å; Q217-V252 VanDerWaalsContact OE1-CG1 3.32Å; Q217-V252 VanDerWaalsContact OE1-CG2 3.3Å; V252-Y259 WeakPolarHBondContact CG2-OH 3.39Å
253C96.6Very high93.1Very high0 Ų040.7 Ų40.70%024%0.238CC..EExtended strand (participates in β ladder)trans-70.5135.4171-172.70000109.1C199 V200 M201 C241 S243 N255 H258 Y259C199-C253 HydrophobicContact CB-CB 4.4Å; V200-C253 CarbonylContact O-C 3.43Å; V200-C253 WeakPolarHBondContact O-CA 3.46Å; M201-C253 HydrophobicContact SD-CB 3.95Å; C241-C253 VanDerWaalsContact SG-CB 3.51Å; S243-C253 WeakPolarHBondContact OG-CB 3.41Å; S243-C253 PolarHBondContact OG-N 2.65Å; C253-N255 PolarHBondContact SG-N 3.17Å; C253-N255 VanDerWaalsContact SG-N 3.41Å; C253-H258 PolarHBondContact SG-ND1 3.38Å; C253-H258 VanDerWaalsContact SG-ND1 3.38Å; C253-Y259 HydrophobicContact CB-CE2 4.36Å; C253-Y259 VanDerWaalsContact O-CE2 3.31Å; C253-Y259 WeakPolarHBondContact O-CE2 3.43Å; C253-Y259 PolarHBondContact O-OH 2.89Å
254C95.6Very high92Very high0 Ų042 Ų420%025%0.254CS..  trans-112.59.217366.60000112.7V200 I202 V220 P256V200-C254 WeakPolarHBondContact CG1-SG 3.43Å; V200-C254 PolarHBondContact O-N 2.78Å; V200-C254 PolarHBondContact O-SG 3.47Å; I202-C254 HydrophobicContact CG2-CB 4.05Å; V220-C254 WeakPolarHBondContact CG1-O 3.29Å; V220-C254 HydrophobicContact CG2-CB 4.08Å; C254-P256 WeakPolarHBondContact O-CD 3.47Å
255N96.9Very high90.3Very high0 Ų045.3 Ų45.30%028%0.282CS..  trans-68.5115.3170.8-178.4-17.9000109.2A188 S197 D198 V200 C253 Y257 H258 Y259A188-N255 WeakPolarHBondContact CB-ND2 3.33Å; A188-N255 WeakPolarHBondContact CB-OD1 3.35Å; S197-N255 PolarHBondContact OG-ND2 3.26Å; D198-N255 PolarHBondContact O-ND2 2.89Å; D198-N255 VanDerWaalsContact O-ND2 3.12Å; V200-N255 HydrophobicContact CB-CB 4.49Å; V200-N255 HydrophobicContact CG2-CB 4.28Å; C253-N255 PolarHBondContact SG-N 3.17Å; C253-N255 VanDerWaalsContact SG-N 3.41Å; N255-Y257 PolarHBondContact O-N 2.72Å; N255-Y257 PolarHBondContact OD1-N 3.25Å; N255-H258 HydrophobicContact CB-CB 4.32Å; N255-H258 PolarHBondContact ND2-NE2 3.31Å; N255-H258 WeakPolarHBondContact O-CB 3.43Å; N255-H258 PolarHBondContact O-N 3.2Å; N255-H258 VanDerWaalsContact O-N 3.12Å; N255-Y259 WeakPolarHBondContact O-CD2 3.37Å
256P96.9Very high88.3Confident0 Ų050.2 Ų50.20%029%0.286CS..G310 helixtrans-68.8-21.3-172.828.6-34.2000112.9V189 V220 Y224 R225 C254 H258 Y259V189-P256 HydrophobicContact CG2-CG 4.05Å; V220-P256 HydrophobicContact CG1-CB 4.13Å; V220-P256 HydrophobicContact CG1-CG 3.99Å; Y224-P256 HydrophobicContact CD2-CG 4.21Å; Y224-P256 HydrophobicContact CG-CG 4.46Å; R225-P256 WeakPolarHBondContact CD-O 3.38Å; R225-P256 HydrophobicContact CG-CB 3.97Å; R225-P256 PolarHBondContact NH1-O 3.3Å; C254-P256 WeakPolarHBondContact O-CD 3.47Å; P256-H258 VanDerWaalsContact C-N 3.27Å; P256-Y259 PolarHBondContact O-N 3.11Å
257Y95.9Very high86.2Confident34 Ų3451.2 Ų51.213%0.13329%0.291CS..G310 helixtrans-83.1-3.2177.4-68.6-83.3000113.6A188 R192 L238 N255 Y259A188-Y257 VanDerWaalsContact O-CD2 3.23Å; A188-Y257 WeakPolarHBondContact O-CD2 3.5Å; A188-Y257 WeakPolarHBondContact O-CE2 3.49Å; R192-Y257 WeakPolarHBondContact CA-OH 3.25Å; R192-Y257 HydrophobicContact CB-CE1 4.32Å; R192-Y257 WeakPolarHBondContact O-CE1 3.43Å; L238-Y257 VanDerWaalsContact CD1-O 3.3Å; L238-Y257 WeakPolarHBondContact CD1-O 2.99Å; N255-Y257 PolarHBondContact O-N 2.72Å; N255-Y257 PolarHBondContact OD1-N 3.25Å; Y257-Y259 VanDerWaalsContact C-N 3.31Å
258H97Very high84.3Confident14 Ų1449.2 Ų49.27%0.06529%0.291CS..G310 helixtrans-90.63.6170.1-71.3-171.8000113.5S197 D198 C199 L238 C241 C253 N255 P256S197-H258 PolarHBondContact O-CE1 2.75Å; S197-H258 PolarHBondContact O-NE2 3.41Å; D198-H258 VanDerWaalsContact C-CE1 3.4Å; D198-H258 PolarHBondContact O-CE1 3.12Å; C199-H258 PolarHBondContact N-CE1 3.37Å; C199-H258 PolarHBondContact SG-CE1 3.1Å; C199-H258 PolarHBondContact SG-ND1 3.26Å; L238-H258 PolarHBondContact N-O 2.74Å; C241-H258 HydrophobicContact CB-CB 3.93Å; C253-H258 PolarHBondContact SG-ND1 3.38Å; C253-H258 VanDerWaalsContact SG-ND1 3.38Å; N255-H258 HydrophobicContact CB-CB 4.32Å; N255-H258 PolarHBondContact ND2-NE2 3.31Å; N255-H258 WeakPolarHBondContact O-CB 3.43Å; N255-H258 PolarHBondContact O-N 3.2Å; N255-H258 VanDerWaalsContact O-N 3.12Å; P256-H258 VanDerWaalsContact C-N 3.27Å
259Y97.1Very high82.3Confident7 Ų745.5 Ų45.53%0.02728%0.276CS..EExtended strand (participates in β ladder)trans-118.6154.9174.9-66.2-90.1000109.8Q217 R225 L235 K236 P237 V252 C253 N255 P256 Y257Q217-Y259 HydrophobicContact CB-CE1 4.21Å; Q217-Y259 HydrophobicContact CB-CE2 3.91Å; Q217-Y259 HydrophobicContact CG-CE1 4.21Å; R225-Y259 PolarHBondContact NH1-O 3.29Å; L235-Y259 HydrophobicContact CB-CD1 4.12Å; K236-Y259 CarbonylContact O-C 3.52Å; K236-Y259 WeakPolarHBondContact O-CA 3.28Å; P237-Y259 HydrophobicContact CB-CD1 4.37Å; P237-Y259 HydrophobicContact CB-CE1 4.12Å; P237-Y259 HydrophobicContact CG-CD1 4.25Å; P237-Y259 HydrophobicContact CG-CE1 3.84Å; V252-Y259 WeakPolarHBondContact CG2-OH 3.39Å; C253-Y259 HydrophobicContact CB-CE2 4.36Å; C253-Y259 VanDerWaalsContact O-CE2 3.31Å; C253-Y259 WeakPolarHBondContact O-CE2 3.43Å; C253-Y259 PolarHBondContact O-OH 2.89Å; N255-Y259 WeakPolarHBondContact O-CD2 3.37Å; P256-Y259 PolarHBondContact O-N 3.11Å; Y257-Y259 VanDerWaalsContact C-N 3.31Å
260S97.1Very high80.2Confident0 Ų044.4 Ų44.40%027%0.268CS..EExtended strand (participates in β ladder)trans-126.3154.2167.956.40000108.6L235 K236 Y396 S428L235-S260 WeakPolarHBondContact CA-O 3.46Å; K236-S260 PolarHBondContact N-O 3.02Å; K236-S260 PolarHBondContact O-N 2.84Å; K236-S260 PolarHBondContact O-OG 3.01Å; S260-Y396 VanDerWaalsContact CB-CD2 3.43Å; S260-S428 WeakPolarHBondContact CB-OG 3.48Å; S260-S428 WeakPolarHBondContact OG-CB 3.3Å; S260-S428 PolarHBondContact OG-OG 2.86Å
261R96.2Very high77.8Confident24 Ų2446.1 Ų46.19%0.09128%0.279CS..EExtended strand (participates in β ladder)trans-85.7134.8172.1-168.2163.5172.9-174.33.3109.5W226 D228 Q234 C263 G426 Y427 S428W226-R261 HydrophobicContact CD2-CB 4.36Å; W226-R261 HydrophobicContact CH2-CB 4.22Å; W226-R261 HydrophobicContact CZ2-CB 3.96Å; D228-R261 IonicContact OD1-CZ 2.73Å; D228-R261 IonicContact OD1-NH1 3.77Å; D228-R261 PolarHBondContact OD1-NH1 2.87Å; D228-R261 IonicContact OD2-CZ 2.77Å; D228-R261 VanDerWaalsContact OD2-CZ 3.22Å; D228-R261 IonicContact OD2-NH1 2.89Å; D228-R261 PolarHBondContact OD2-NH1 2.86Å; D228-R261 IonicContact OD2-NH2 2.69Å; D228-R261 PolarHBondContact OD2-NH2 3.07Å; Q234-R261 CarbonylContact O-C 3.47Å; Q234-R261 WeakPolarHBondContact O-CA 3.39Å; R261-C263 PolarHBondContact O-N 2.89Å; R261-G426 PolarHBondContact N-O 2.93Å; R261-Y427 HydrophobicContact CB-CD1 3.89Å; R261-Y427 HydrophobicContact CB-CD2 4.26Å; R261-Y427 HydrophobicContact CB-CE1 3.97Å; R261-Y427 HydrophobicContact CB-CE2 4.3Å; R261-Y427 HydrophobicContact CB-CG 4.07Å; R261-Y427 VanDerWaalsContact CD-CZ 3.47Å; R261-Y427 WeakPolarHBondContact CD-OH 3.19Å; R261-Y427 HydrophobicContact CG-CD1 3.94Å; R261-Y427 HydrophobicContact CG-CE1 3.59Å; R261-Y427 VanDerWaalsContact CZ-OH 3.27Å; R261-Y427 PolarHBondContact NE-OH 3.17Å; R261-Y427 PolarHBondContact NH1-OH 2.99Å; R261-Y427 CarbonylContact O-C 3.23Å; R261-Y427 WeakPolarHBondContact O-CA 3.37Å; R261-Y427 WeakPolarHBondContact O-CB 3.5Å; R261-S428 PolarHBondContact O-N 3.45Å
262L94.3Very high75.6Confident61 Ų6150 Ų5032%0.31929%0.288SS..EExtended strand (participates in β ladder)trans-68.8131.5176.6-69.7175.8000110.1A233 Q234 K236 G264 W394A233-L262 WeakPolarHBondContact O-CD1 3.31Å; Q234-L262 PolarHBondContact O-N 3.32Å; K236-L262 HydrophobicContact CB-CD2 3.65Å; K236-L262 HydrophobicContact CB-CG 4.07Å; K236-L262 HydrophobicContact CD-CD2 3.89Å; K236-L262 HydrophobicContact CG-CD2 4.33Å; L262-G264 PolarHBondContact O-N 2.81Å; L262-G264 VanDerWaalsContact O-N 3.17Å; L262-W394 HydrophobicContact CD2-CH2 3.83Å; L262-W394 HydrophobicContact CD2-CZ3 3.61Å
263C88.6Confident73Confident25 Ų2551.7 Ų51.717%0.16930%0.301CS..  trans-67.9109.4168.4-167.20000108.2R261 S428 I429R261-C263 PolarHBondContact O-N 2.89Å; C263-S428 WeakPolarHBondContact CB-O 3.45Å; C263-S428 PolarHBondContact N-O 3.47Å; C263-I429 HydrophobicContact CB-CB 4.13Å
264G70.6Confident70.3Confident40 Ų4063 Ų6341%0.41234%0.344SS..  trans-64.7164.1176.400000112.2L262 E266L262-G264 PolarHBondContact O-N 2.81Å; L262-G264 VanDerWaalsContact O-N 3.17Å; G264-E266 PolarHBondContact O-N 3.09Å
265P59Low67.5Low139 Ų13969.6 Ų69.690%0.90338%0.378SS*.SBendtrans-64.8-19.1175.225.9-32.4000113.2
266E48.2Very low64.4Low177 Ų17774.8 Ų74.883%0.82741%0.414SS*.  trans-114.360.7-175.8-63.2-173.4162.200112.9G264 P268G264-E266 PolarHBondContact O-N 3.09Å; E266-P268 VanDerWaalsContact O-CD 3.3Å; E266-P268 WeakPolarHBondContact O-CD 3.47Å
267S43.8Very low61.7Low51 Ų5181.2 Ų81.236%0.35746%0.456SS..PPolyproline II helixtrans-68.9117.2156.261.40000106.7
268P40.9Very low59Low109 Ų10985.3 Ų85.371%0.70848%0.48SS*.PPolyproline II helixtrans-55.8138.8-179.720.9-30.9000108.7E266E266-P268 VanDerWaalsContact O-CD 3.3Å; E266-P268 WeakPolarHBondContact O-CD 3.47Å
269P43.6Very low56Low82 Ų8294.1 Ų94.153%0.53252%0.521SS..PPolyproline II helixtrans-54.3148.8173.624.1-32.1000108.6
270P44.4Very low52.9Low13 Ų13101.7 Ų101.78%0.08456%0.557CS.*PPolyproline II helixtrans-51144.4178.3-19.627.9000110.6Y272 S273 Y470P270-Y272 HydrophobicContact CB-CD1 3.93Å; P270-Y272 HydrophobicContact CB-CD2 4.03Å; P270-Y272 HydrophobicContact CB-CE1 3.4Å; P270-Y272 VanDerWaalsContact CB-CE1 3.4Å; P270-Y272 HydrophobicContact CB-CE2 3.52Å; P270-Y272 HydrophobicContact CB-CG 4.22Å; P270-Y272 WeakPolarHBondContact CB-OH 3.1Å; P270-Y272 HydrophobicContact CG-CE2 3.99Å; P270-Y272 PolarHBondContact O-N 2.91Å; P270-S273 PolarHBondContact O-N 3.12Å; P270-S273 PolarHBondContact O-OG 3.05Å; P270-Y470 HydrophobicContact CB-CE1 4.43Å; P270-Y470 HydrophobicContact CG-CD1 4.27Å; P270-Y470 HydrophobicContact CG-CE1 3.46Å; P270-Y470 VanDerWaalsContact CG-CE1 3.46Å; P270-Y470 HydrophobicContact CG-CE2 4.25Å; P270-Y470 VanDerWaalsContact CG-CZ 3.44Å; P270-Y470 WeakPolarHBondContact CG-OH 3.46Å
271P42.1Very low49.8Very low135 Ų135110.8 Ų110.888%0.87760%0.599SS**THydrogen-bonded Turntrans-63.24-172.321.4-31.8000115.6
272Y47.4Very low46.6Very low134 Ų134118.2 Ų118.253%0.52563%0.632SS.*THydrogen-bonded Turntrans-97.42.917138.3-88.6000113.8P270 R274 C469 Y470P270-Y272 HydrophobicContact CB-CD1 3.93Å; P270-Y272 HydrophobicContact CB-CD2 4.03Å; P270-Y272 HydrophobicContact CB-CE1 3.4Å; P270-Y272 VanDerWaalsContact CB-CE1 3.4Å; P270-Y272 HydrophobicContact CB-CE2 3.52Å; P270-Y272 HydrophobicContact CB-CG 4.22Å; P270-Y272 WeakPolarHBondContact CB-OH 3.1Å; P270-Y272 HydrophobicContact CG-CE2 3.99Å; P270-Y272 PolarHBondContact O-N 2.91Å; Y272-R274 VanDerWaalsContact C-N 3.27Å; Y272-R274 PolarHBondContact O-N 3.49Å; Y272-C469 WeakPolarHBondContact CD2-O 3.46Å; Y272-C469 WeakPolarHBondContact CE2-O 3.31Å; Y272-Y470 AromaticContact CE2-CD1 3.86Å; Y272-Y470 HydrophobicContact CE2-CD1 3.86Å; Y272-Y470 HydrophobicContact CE2-CE1 4.38Å; Y272-Y470 HydrophobicContact CE2-CG 4.35Å; Y272-Y470 AromaticContact CZ-CD1 3.93Å; Y272-Y470 WeakPolarHBondContact OH-CD1 3.16Å; Y272-Y470 VanDerWaalsContact OH-CE1 3.22Å; Y272-Y470 WeakPolarHBondContact OH-CE1 3.36Å
273S42Very low43.8Very low41 Ų41121.1 Ų121.129%0.28766%0.655SS.*  trans-71.279.1171.8-74.30000111.4P270 L275P270-S273 PolarHBondContact O-N 3.12Å; P270-S273 PolarHBondContact O-OG 3.05Å; S273-L275 PolarHBondContact O-N 3.34Å
274R38.7Very low41.2Very low238 Ų238127.5 Ų127.590%0.89869%0.686SS**  trans-88.256161.2-74-162173.1116.1-0.7110.8Y272Y272-R274 VanDerWaalsContact C-N 3.27Å; Y272-R274 PolarHBondContact O-N 3.49Å
275L37.1Very low39.3Very low137 Ų137132.6 Ų132.672%0.71770%0.704SS**  trans-115.593.8164-63.9177.8000106.6S273S273-L275 PolarHBondContact O-N 3.34Å
276S31.2Very low38.1Very low110 Ų110132.8 Ų132.877%0.76970%0.697SS**  trans-59.5137.3164.4-52.60000108.4N278S276-N278 PolarHBondContact O-N 3.31Å
277P40.3Very low37.4Very low134 Ų134129.5 Ų129.587%0.8769%0.693SS**SBendtrans-78.680.8172.731-28.7000108.2
278N39.8Very low36.8Very low121 Ų121133.6 Ų133.665%0.64771%0.711SS**  trans-15687.6161.9-148.933.4000110S276S276-N278 PolarHBondContact O-N 3.31Å
279E33.5Very low36.4Very low199 Ų199134.1 Ų134.193%0.9372%0.718SS**  trans-139.3107.4143.4-79.5-155.3131.900108.1
280E32.4Very low36Very low165 Ų165135.9 Ų135.977%0.77173%0.727SS**  trans-65.3141.8173.9-64.8171.910900110.3K282E280-K282 PolarHBondContact O-N 3.12Å
281H31.8Very low35.4Very low191 Ų191143 Ų14388%0.88476%0.764SS**  trans-46.9130.6171.3-57.494000112.7
282K29.3Very low34.8Very low180 Ų180141.1 Ų141.178%0.78375%0.753SS**  trans-131.7113156.6-148.7174.9-171.71780108.9E280 L284E280-K282 PolarHBondContact O-N 3.12Å; K282-L284 PolarHBondContact O-N 2.76Å
283P34.8Very low34Very low123 Ų123145.6 Ų145.680%0.79977%0.771SS**  trans-76.4121.8171.229.8-27.3000107.7
284L34.9Very low33.6Very low159 Ų159150 Ų15083%0.83280%0.796SS**  trans-111116.2164.3-74.5177.3000108.4K282K282-L284 PolarHBondContact O-N 2.76Å
285D30.6Very low33.1Very low146 Ų146146 Ų14678%0.78179%0.788SS**  trans-83.9153.8175.9-146.2-6.9000109.7
286L34.2Very low32.8Very low143 Ų143145.2 Ų145.275%0.74979%0.794SS**  trans85.2112162-52.7178.4000121.4
287S32.3Very low32.9Very low108 Ų108147.8 Ų147.876%0.75579%0.793SS**  94.2108.8120.168.50000120.2
288D31.4Very low32.4Very low137 Ų137145.8 Ų145.873%0.73379%0.788SS**  73.9107.3124.4-146.39.7000118.8
289S32.3Very low31.9Very low121 Ų121144.2 Ų144.285%0.84679%0.792SS**  trans-165.691.1140.2-80.60000109.6
290T34.8Very low31.7Very low118 Ų118141.3 Ų141.372%0.72479%0.788SS**  trans-27.3127.2148.634.70000114.9
291L31.8Very low31.6Very low164 Ų164138.7 Ų138.786%0.85979%0.788SS**  trans-151.6119.7131.7-82.9-168.2000110.6
292S29.6Very low32Very low95 Ų95135.5 Ų135.566%0.66478%0.784SS**  trans-69.2141-179.951.50000114.2
293Y31Very low32.2Very low228 Ų228134.7 Ų134.789%0.89479%0.788SS**  trans-138.4141.1142.7-78.1-84.8000110.1
294T33.8Very low32.1Very low132 Ų132136.6 Ų136.681%0.8179%0.79SS**  trans-75.5138.9-152.9410000116
295E27.5Very low32.1Very low156 Ų156134.7 Ų134.773%0.72979%0.785SS**  trans-79150.7163.2-169.5171.5-171.100110.6E297E295-E297 HydrophobicContact CG-CG 4.07Å
296S31.8Very low32.5Very low120 Ų120134.4 Ų134.484%0.83979%0.792SS**  trans-131.193.4164.6-67.10000108
297E33.5Very low32.3Very low163 Ų163129.9 Ų129.976%0.76278%0.78SS**  trans-73163.9157.6-61.3-166.4118.900108.9E295E295-E297 HydrophobicContact CG-CG 4.07Å
298A29.1Very low32.7Very low92 Ų92133.7 Ų133.776%0.7679%0.785SS**  cis-167.5164.31.300000106.8
299A28.6Very low32.7Very low89 Ų89136.9 Ų136.974%0.73679%0.793SS**  trans-167.7104.1133.100000112.1
300T30.7Very low32.9Very low138 Ų138136.7 Ų136.785%0.84779%0.792SS**  61.1111.3126.2-17.50000120.3
301S30.8Very low33Very low109 Ų109138.4 Ų138.476%0.76280%0.797SS**  trans-67.1166.5162.8-47.60000113.3
302P39.4Very low33.4Very low125 Ų125135.3 Ų135.381%0.81279%0.794SS**  -134.5152.3115.931.6-17.4000114.7
303N33.6Very low34Very low162 Ų162135.5 Ų135.587%0.86680%0.796SS**  trans-39.5129.5167.9-96.4-27.8000114.8
304I33Very low34.5Very low163 Ų163133.7 Ų133.784%0.83680%0.798SS**  trans-147.1136.6145.5-59.8-170000110.1
305T34.7Very low34.6Very low119 Ų119132.5 Ų132.573%0.7380%0.795SS**  trans-46.2158.1178.138.90000118G307T305-G307 PolarHBondContact O-N 3.02Å
306P39.2Very low35.6Very low141 Ų141130.5 Ų130.592%0.91680%0.795SS**  trans-76.2109.3177.731-30.4000110.5
307G30.1Very low36.4Very low48 Ų48132.6 Ų132.650%0.49580%0.797SS.*  trans-127.7133.2176.800000110.6T305 F309T305-G307 PolarHBondContact O-N 3.02Å; G307-F309 WeakPolarHBondContact O-CD2 3.44Å; G307-F309 WeakPolarHBondContact O-CE2 3.26Å
308E39.2Very low36.8Very low187 Ų187128.6 Ų128.687%0.87479%0.792SS**  trans-49.1129.5-178.4-62.7161.8141.300113.5
309F32.9Very low37.7Very low204 Ų204129.8 Ų129.890%0.89579%0.792SS**  trans-12594.9159.2-60.1-71.5000108.7G307 D311G307-F309 WeakPolarHBondContact O-CD2 3.44Å; G307-F309 WeakPolarHBondContact O-CE2 3.26Å; F309-D311 PolarHBondContact O-N 3.06Å
310S35Very low39.1Very low118 Ų118135.5 Ų135.583%0.82580%0.8SS**  trans-62.5121165.9-67.50000109.4A312S310-A312 PolarHBondContact O-N 3.17Å
311D37.4Very low40.5Very low154 Ų154135.6 Ų135.682%0.82479%0.791SS**  trans-68.7123173.6-161.97.2000109.9F309 S313F309-D311 PolarHBondContact O-N 3.06Å; D311-S313 PolarHBondContact O-N 3.21Å
312A40.8Very low43Very low98 Ų98134.5 Ų134.581%0.8178%0.784SS**  trans-81.991.5179.300000109.8S310S310-A312 PolarHBondContact O-N 3.17Å
313S42Very low45.5Very low99 Ų99131.1 Ų131.169%0.69276%0.757SS**  trans-141.886.5159.5172.20000109.4D311 S315D311-S313 PolarHBondContact O-N 3.21Å; S313-S315 PolarHBondContact O-N 3.19Å
314M41.7Very low48.4Very low191 Ų191124.1 Ų124.194%0.94172%0.718SS**  trans-83.6102.1170.9-69.5-67.7159.200109.5
315S35.7Very low51.4Low106 Ų106116.4 Ų116.474%0.74168%0.679SS**  trans-125.8130.9153.3-164.90000106.9S313S313-S315 PolarHBondContact O-N 3.19Å
316P49.4Very low54.4Low114 Ų114111.7 Ų111.774%0.7465%0.649SS**  trans-77.6131.2-164.629.7-32.3000111.9
317D47.5Very low57.2Low164 Ų164105 Ų10588%0.87761%0.605SS**  trans44.574.7150.6-62.8-36000118.4
318A42.2Very low60.4Low79 Ų79102.8 Ų102.865%0.65358%0.583SS**  trans-106.6138.8138.700000107.1K320A318-K320 PolarHBondContact O-N 3.14Å
319P48.3Very low63.2Low118 Ų11893.9 Ų93.977%0.76654%0.541SS*.  trans-54.1115.9170.723.5-31.4000106.8Q321P319-Q321 PolarHBondContact O-N 3.22Å
320K57.6Low66.3Low208 Ų20886.8 Ų86.890%0.90451%0.508SS*.  trans-57.595.6175.7-84.5-179.1177.6176.90106.3A318 S322A318-K320 PolarHBondContact O-N 3.14Å; K320-S322 PolarHBondContact O-N 2.76Å
321Q59.9Low69.3Low140 Ų14081.5 Ų81.565%0.65447%0.471SS*.  trans-61.4107.3172.5-76.1-174.6-8.800105.4P319 H323 Y343P319-Q321 PolarHBondContact O-N 3.22Å; Q321-H323 PolarHBondContact O-N 2.91Å; Q321-Y343 HydrophobicContact CB-CD1 3.69Å; Q321-Y343 HydrophobicContact CB-CE1 4.23Å; Q321-Y343 WeakPolarHBondContact O-CD1 3.35Å; Q321-Y343 WeakPolarHBondContact O-CE1 3.33Å
322S84.4Confident72.1Confident87 Ų8777 Ų7761%0.60844%0.444SS*.  trans-70.2118.9175.9-172.60000107.3K320K320-S322 PolarHBondContact O-N 2.76Å
323H91.9Very high74.7Confident53 Ų5381.2 Ų81.225%0.24544%0.439CS..  trans-75.5133.8172.860.9-77000108.8Q321 N326 T341 V342 Y343 N487Q321-H323 PolarHBondContact O-N 2.91Å; H323-N326 PolarHBondContact CD2-ND2 3.07Å; H323-N326 VanDerWaalsContact CD2-ND2 3.26Å; H323-N326 PolarHBondContact NE2-ND2 2.89Å; H323-T341 HydrophobicContact CB-CG2 3.26Å; H323-T341 VanDerWaalsContact CD2-CG2 3.47Å; H323-T341 WeakPolarHBondContact CD2-CG2 3.11Å; H323-V342 CarbonylContact C-O 3.55Å; H323-V342 VanDerWaalsContact CA-O 3.27Å; H323-V342 WeakPolarHBondContact CA-O 3.49Å; H323-V342 VanDerWaalsContact CB-O 3.31Å; H323-V342 WeakPolarHBondContact CB-O 3.4Å; H323-Y343 HydrophobicContact CB-CD1 3.79Å; H323-Y343 HydrophobicContact CB-CE1 3.76Å; H323-Y343 HydrophobicContact CB-CG 4.35Å; H323-N487 PolarHBondContact CD2-ND2 2.76Å; H323-N487 PolarHBondContact CE1-ND2 3.41Å; H323-N487 PolarHBondContact NE2-ND2 3.11Å; H323-N487 WeakPolarHBondContact O-CB 3.47Å; H323-N487 PolarHBondContact O-ND2 2.96Å
324W94.4Very high77.2Confident16 Ų1680 Ų806%0.06143%0.428CS..  trans-90.7-19.1-175.567.7-91000112.6V342 E344 L386 K388 V393 L486 N487W324-V342 HydrophobicContact CZ2-CB 4.49Å; W324-V342 HydrophobicContact CZ2-CG1 3.92Å; W324-V342 PolarHBondContact N-O 2.87Å; W324-V342 VanDerWaalsContact NE1-CG1 3.35Å; W324-E344 PolarHBondContact NE1-O 3.28Å; W324-L386 HydrophobicContact CH2-CD2 3.59Å; W324-L386 HydrophobicContact CH2-CG 3.87Å; W324-L386 HydrophobicContact CZ2-CD2 4.31Å; W324-L386 HydrophobicContact CZ3-CD2 4.41Å; W324-K388 HydrophobicContact CB-CD 3.85Å; W324-K388 HydrophobicContact CD2-CB 3.89Å; W324-K388 HydrophobicContact CD2-CD 4.1Å; W324-K388 HydrophobicContact CD2-CG 4.2Å; W324-K388 HydrophobicContact CE3-CB 4.05Å; W324-K388 HydrophobicContact CE3-CD 4.42Å; W324-K388 HydrophobicContact CE3-CG 4.19Å; W324-K388 HydrophobicContact CG-CB 4.4Å; W324-K388 HydrophobicContact CG-CD 3.84Å; W324-K388 HydrophobicContact CG-CG 4.47Å; W324-K388 HydrophobicContact CH2-CB 4.27Å; W324-K388 HydrophobicContact CZ2-CB 4.13Å; W324-K388 HydrophobicContact CZ3-CB 4.24Å; W324-V393 HydrophobicContact CE3-CG2 4.44Å; W324-V393 HydrophobicContact CH2-CG1 3.91Å; W324-V393 HydrophobicContact CZ3-CB 4.49Å; W324-V393 HydrophobicContact CZ3-CG1 3.75Å; W324-V393 HydrophobicContact CZ3-CG2 3.84Å; W324-L486 HydrophobicContact CE3-CD2 4.16Å; W324-L486 HydrophobicContact CZ3-CD2 3.83Å; W324-N487 PolarHBondContact O-N 3.47Å
325C96.1Very high79.7Confident0 Ų077.7 Ų77.70%041%0.409CS..EExtended strand (participates in β ladder)trans-153.7164.1168.571.90000113.1V342 I484 L485 L486C325-V342 PolarHBondContact O-N 2.82Å; C325-V342 VanDerWaalsContact SG-CG2 3.6Å; C325-I484 HydrophobicContact CB-CG2 4.07Å; C325-L485 CarbonylContact C-O 3.54Å; C325-L485 WeakPolarHBondContact CA-O 3.35Å; C325-L485 VanDerWaalsContact CB-O 3.25Å; C325-L485 WeakPolarHBondContact CB-O 3.43Å; C325-L486 HydrophobicContact CB-CD2 3.89Å
326N96.9Very high82.6Confident20 Ų2072.8 Ų72.811%0.10737%0.374CS..EExtended strand (participates in β ladder)trans-116.6141.2164.9-67.4-68.5000109.4H323 Y340 T341 I484 L485H323-N326 PolarHBondContact CD2-ND2 3.07Å; H323-N326 VanDerWaalsContact CD2-ND2 3.26Å; H323-N326 PolarHBondContact NE2-ND2 2.89Å; N326-Y340 CarbonylContact C-O 3.53Å; N326-Y340 WeakPolarHBondContact CA-O 3.09Å; N326-T341 WeakPolarHBondContact OD1-CA 3.39Å; N326-T341 WeakPolarHBondContact OD1-CB 3.36Å; N326-T341 PolarHBondContact OD1-OG1 3.46Å; N326-I484 WeakPolarHBondContact O-CA 3.37Å; N326-L485 HydrophobicContact CB-CB 4.38Å; N326-L485 PolarHBondContact N-O 3.36Å; N326-L485 PolarHBondContact O-N 2.72Å
327V98Very high84.7Confident0 Ų069.2 Ų69.20%036%0.358CS..EExtended strand (participates in β ladder)trans-113.5123.7177.8-1730000109.4Y340 V342 I349 F359 L482 E483 I484V327-Y340 PolarHBondContact N-O 3.08Å; V327-Y340 PolarHBondContact O-N 3.17Å; V327-V342 HydrophobicContact CG2-CG2 3.97Å; V327-I349 HydrophobicContact CG1-CD1 4.04Å; V327-I349 HydrophobicContact CG2-CD1 4.21Å; V327-F359 HydrophobicContact CB-CD1 4.2Å; V327-F359 HydrophobicContact CB-CE1 4.25Å; V327-F359 HydrophobicContact CG1-CD1 3.96Å; V327-F359 HydrophobicContact CG1-CE1 3.93Å; V327-L482 HydrophobicContact CG1-CB 4.48Å; V327-L482 HydrophobicContact CG1-CD2 3.93Å; V327-E483 WeakPolarHBondContact CA-O 3.4Å; V327-I484 HydrophobicContact CG2-CG1 4.49Å
328A97.8Very high87Confident2 Ų272 Ų722%0.01736%0.357CS..EExtended strand (participates in β ladder)trans-104.1134.9170.500000110L339 L482 E483A328-L339 HydrophobicContact CB-CD2 3.6Å; A328-L482 VanDerWaalsContact O-CA 3.31Å; A328-L482 WeakPolarHBondContact O-CA 3.44Å; A328-E483 HydrophobicContact CB-CB 4.23Å; A328-E483 PolarHBondContact N-O 3.08Å; A328-E483 PolarHBondContact O-N 3.42Å
329Y98.3Very high89.5Confident1 Ų171.8 Ų71.80%0.00434%0.344CS..EExtended strand (participates in β ladder)trans-102.3137.9171.7176.8-115.6000110.8E331 V336 L361 L364 R377 C480 W481 L482Y329-E331 HydrophobicContact CE1-CG 3.68Å; Y329-E331 WeakPolarHBondContact CE1-OE1 3.41Å; Y329-E331 PolarHBondContact OH-OE1 2.98Å; Y329-V336 HydrophobicContact CD1-CB 3.79Å; Y329-V336 HydrophobicContact CD1-CG1 4.19Å; Y329-V336 HydrophobicContact CE1-CB 4.12Å; Y329-V336 HydrophobicContact CE1-CG1 4.3Å; Y329-V336 PolarHBondContact O-N 3.05Å; Y329-L361 HydrophobicContact CD1-CD2 4.28Å; Y329-L361 HydrophobicContact CD2-CD1 3.96Å; Y329-L361 HydrophobicContact CD2-CD2 3.87Å; Y329-L361 HydrophobicContact CD2-CG 4.49Å; Y329-L361 HydrophobicContact CE2-CD1 3.97Å; Y329-L361 HydrophobicContact CE2-CD2 4.48Å; Y329-L361 HydrophobicContact CG-CD2 3.75Å; Y329-L364 HydrophobicContact CD1-CD1 3.42Å; Y329-L364 VanDerWaalsContact CD1-CD1 3.42Å; Y329-L364 HydrophobicContact CE1-CD1 4.2Å; Y329-L364 HydrophobicContact CG-CD1 4Å; Y329-R377 PolarHBondContact OH-NH1 2.75Å; Y329-C480 HydrophobicContact CE2-CB 4.07Å; Y329-C480 PolarHBondContact OH-SG 3.42Å; Y329-C480 VanDerWaalsContact OH-SG 3.39Å; Y329-W481 WeakPolarHBondContact CD2-O 3.18Å; Y329-L482 HydrophobicContact CD2-CD2 3.85Å; Y329-L482 HydrophobicContact CG-CD2 4.47Å
330W97.7Very high91.8Very high54 Ų5469.9 Ų69.921%0.20532%0.322CS..EExtended strand (participates in β ladder)trans-131.8137.9-175-62.690.7000111.1T334 R335 C480 W481W330-T334 WeakPolarHBondContact CA-O 3.17Å; W330-T334 VanDerWaalsContact CE3-C 3.46Å; W330-R335 HydrophobicContact CD2-CB 4.15Å; W330-R335 HydrophobicContact CD2-CG 4.45Å; W330-R335 HydrophobicContact CE3-CB 3.79Å; W330-R335 VanDerWaalsContact CE3-N 3.25Å; W330-R335 HydrophobicContact CH2-CB 3.85Å; W330-R335 HydrophobicContact CH2-CG 4.42Å; W330-R335 HydrophobicContact CZ2-CB 4.21Å; W330-R335 HydrophobicContact CZ2-CG 4.32Å; W330-R335 HydrophobicContact CZ3-CB 3.63Å; W330-C480 WeakPolarHBondContact O-CA 3.31Å; W330-W481 HydrophobicContact CB-CD2 3.68Å; W330-W481 HydrophobicContact CB-CE3 4.35Å; W330-W481 HydrophobicContact CB-CG 4.03Å; W330-W481 HydrophobicContact CB-CH2 4.21Å; W330-W481 HydrophobicContact CB-CZ2 3.5Å; W330-W481 VanDerWaalsContact CB-NE1 3.28Å; W330-W481 AromaticContact CD1-CE3 3.88Å; W330-W481 AromaticContact CD1-CH2 3.53Å; W330-W481 AromaticContact CD1-CZ2 3.75Å; W330-W481 AromaticContact CD1-CZ3 3.63Å; W330-W481 AromaticContact CD2-CH2 3.83Å; W330-W481 HydrophobicContact CD2-CH2 3.83Å; W330-W481 AromaticContact CD2-CZ2 3.63Å; W330-W481 HydrophobicContact CD2-CZ2 3.63Å; W330-W481 AromaticContact CE2-CH2 3.91Å; W330-W481 HydrophobicContact CE3-CZ2 4.07Å; W330-W481 HydrophobicContact CG-CD2 4.06Å; W330-W481 AromaticContact CG-CE2 3.6Å; W330-W481 HydrophobicContact CG-CE3 4.28Å; W330-W481 AromaticContact CG-CH2 3.63Å; W330-W481 HydrophobicContact CG-CH2 3.63Å; W330-W481 AromaticContact CG-CZ2 3.36Å; W330-W481 HydrophobicContact CG-CZ2 3.36Å; W330-W481 HydrophobicContact CG-CZ3 4.11Å; W330-W481 PolarHBondContact N-O 3.31Å; W330-W481 AromaticContact NE1-CH2 3.67Å; W330-W481 AromaticContact NE1-CZ3 3.93Å; W330-W481 PolarHBondContact O-N 3.38Å
331E97.1Very high93.7Very high7 Ų762.1 Ų62.13%0.03329%0.292CS..EExtended strand (participates in β ladder)trans-114.8109.3167.9-66.2178.8-172.800107.5Y329 R333 T334 V336 R369 V373 R377 P479Y329-E331 HydrophobicContact CE1-CG 3.68Å; Y329-E331 WeakPolarHBondContact CE1-OE1 3.41Å; Y329-E331 PolarHBondContact OH-OE1 2.98Å; E331-R333 PolarHBondContact O-N 2.81Å; E331-T334 PolarHBondContact N-O 3.41Å; E331-T334 PolarHBondContact O-N 2.78Å; E331-V336 HydrophobicContact CB-CG2 3.86Å; E331-V336 HydrophobicContact CG-CG2 3.77Å; E331-R369 VanDerWaalsContact CD-NE 3.34Å; E331-R369 IonicContact OE1-CZ 3.13Å; E331-R369 IonicContact OE1-NE 3.2Å; E331-R369 PolarHBondContact OE1-NE 2.84Å; E331-R369 IonicContact OE1-NH2 3.5Å; E331-R369 PolarHBondContact OE1-NH2 3.1Å; E331-R369 IonicContact OE2-CZ 2.81Å; E331-R369 IonicContact OE2-NE 3.47Å; E331-R369 PolarHBondContact OE2-NE 2.89Å; E331-R369 IonicContact OE2-NH2 3.78Å; E331-V373 HydrophobicContact CB-CG1 4.32Å; E331-V373 HydrophobicContact CB-CG2 4.48Å; E331-V373 HydrophobicContact CG-CG1 3.89Å; E331-V373 WeakPolarHBondContact OE2-CG1 3.19Å; E331-R377 IonicContact OE1-CZ 3.82Å; E331-R377 IonicContact OE1-NE 2.94Å; E331-R377 IonicContact OE1-NH1 3.35Å; E331-R377 PolarHBondContact OE1-NH1 2.93Å; E331-P479 VanDerWaalsContact CA-O 3.28Å; E331-P479 WeakPolarHBondContact CA-O 3.36Å
332H95.8Very high95.4Very high59 Ų5955.7 Ų55.727%0.27326%0.262SS..THydrogen-bonded Turntrans53.8-115.8-167.3-61.6-54.3000113T476 C478 P479 W481H332-T476 CarbonylContact C-O 3.58Å; H332-T476 VanDerWaalsContact C-O 3.23Å; H332-T476 VanDerWaalsContact CA-O 3.22Å; H332-T476 WeakPolarHBondContact CA-O 3.42Å; H332-C478 WeakPolarHBondContact CA-O 3.27Å; H332-C478 PolarHBondContact N-O 2.79Å; H332-C478 PolarHBondContact ND1-O 2.68Å; H332-P479 PolarHBondContact N-O 2.84Å; H332-W481 PolarHBondContact O-NE1 3.4Å
333R95.4Very high95.8Very high187 Ų18757.1 Ų57.171%0.70626%0.255SS*.THydrogen-bonded Turntrans-94.8-1.4178.9-68.9174.1-174.4-1333.3112.7E331 T476E331-R333 PolarHBondContact O-N 2.81Å; R333-T476 HydrophobicContact CG-CG2 4.18Å
334T94.8Very high95.9Very high75 Ų7561.4 Ų61.446%0.4628%0.275SS..EExtended strand (participates in β ladder)trans-103.6125-171-55.70000110.2W330 E331W330-T334 WeakPolarHBondContact CA-O 3.17Å; W330-T334 VanDerWaalsContact CE3-C 3.46Å; E331-T334 PolarHBondContact N-O 3.41Å; E331-T334 PolarHBondContact O-N 2.78Å
335R95.5Very high95.9Very high142 Ų14266.9 Ų66.954%0.53630%0.301SS..EExtended strand (participates in β ladder)trans-72.3128.1171.4-170.3176.967.5-178-1.9108.9W330W330-R335 HydrophobicContact CD2-CB 4.15Å; W330-R335 HydrophobicContact CD2-CG 4.45Å; W330-R335 HydrophobicContact CE3-CB 3.79Å; W330-R335 VanDerWaalsContact CE3-N 3.25Å; W330-R335 HydrophobicContact CH2-CB 3.85Å; W330-R335 HydrophobicContact CH2-CG 4.42Å; W330-R335 HydrophobicContact CZ2-CB 4.21Å; W330-R335 HydrophobicContact CZ2-CG 4.32Å; W330-R335 HydrophobicContact CZ3-CB 3.63Å
336V95.9Very high95.9Very high2 Ų268.3 Ų68.31%0.01231%0.311CS..  trans-116.3119-177.8-1780000109.3Y329 E331 L364 L366Y329-V336 HydrophobicContact CD1-CB 3.79Å; Y329-V336 HydrophobicContact CD1-CG1 4.19Å; Y329-V336 HydrophobicContact CE1-CB 4.12Å; Y329-V336 HydrophobicContact CE1-CG1 4.3Å; Y329-V336 PolarHBondContact O-N 3.05Å; E331-V336 HydrophobicContact CB-CG2 3.86Å; E331-V336 HydrophobicContact CG-CG2 3.77Å; V336-L364 HydrophobicContact CG1-CB 4.07Å; V336-L366 HydrophobicContact CG1-CB 4.16Å; V336-L366 HydrophobicContact CG2-CD1 4.4Å; V336-L366 HydrophobicContact CG2-CD2 3.87Å
337G93.9Very high95.9Very high39 Ų3967.9 Ų67.940%0.40231%0.309SS..SBendtrans83.1-174-175.200000113.9
338R94.1Very high95.7Very high224 Ų22468.5 Ų68.585%0.84531%0.314SS*.  trans-87.3166.1176.3-62.9-178.8-179.7176.5-0.2110.4Y340R338-Y340 PolarHBondContact O-N 3.38Å
339L95.7Very high95.7Very high74 Ų7468.4 Ų68.439%0.38731%0.313SS..  trans-62.6132.1166.4-70.8173.2000109.4A328 L485A328-L339 HydrophobicContact CB-CD2 3.6Å; L339-L485 HydrophobicContact CD2-CD1 4.41Å
340Y96.6Very high95.6Very high78 Ų7868.8 Ų68.831%0.30631%0.314SS..EExtended strand (participates in β ladder)trans-95.1111.3173.8-173.1-81.9000109.2N326 V327 R338 V342 V347 F359N326-Y340 CarbonylContact C-O 3.53Å; N326-Y340 WeakPolarHBondContact CA-O 3.09Å; V327-Y340 PolarHBondContact N-O 3.08Å; V327-Y340 PolarHBondContact O-N 3.17Å; R338-Y340 PolarHBondContact O-N 3.38Å; Y340-V342 HydrophobicContact CD1-CG2 3.84Å; Y340-V342 HydrophobicContact CE1-CG2 4.05Å; Y340-V347 HydrophobicContact CE1-CG2 3.84Å; Y340-F359 HydrophobicContact CD1-CB 4.03Å; Y340-F359 HydrophobicContact CD1-CD1 4.46Å; Y340-F359 HydrophobicContact CD1-CG 4.27Å; Y340-F359 HydrophobicContact CD2-CB 3.78Å; Y340-F359 HydrophobicContact CD2-CD1 4.35Å; Y340-F359 AromaticContact CD2-CD2 3.53Å; Y340-F359 HydrophobicContact CD2-CD2 3.53Å; Y340-F359 HydrophobicContact CD2-CE2 4.16Å; Y340-F359 AromaticContact CD2-CG 3.64Å; Y340-F359 HydrophobicContact CD2-CG 3.64Å; Y340-F359 HydrophobicContact CE1-CB 4.18Å; Y340-F359 HydrophobicContact CE2-CB 3.9Å; Y340-F359 HydrophobicContact CE2-CD2 4.21Å; Y340-F359 HydrophobicContact CE2-CG 4.24Å; Y340-F359 HydrophobicContact CG-CB 3.85Å; Y340-F359 AromaticContact CG-CD1 3.92Å; Y340-F359 HydrophobicContact CG-CD1 3.92Å; Y340-F359 AromaticContact CG-CD2 3.94Å; Y340-F359 HydrophobicContact CG-CD2 3.94Å; Y340-F359 HydrophobicContact CG-CE1 4.44Å; Y340-F359 HydrophobicContact CG-CE2 4.46Å; Y340-F359 AromaticContact CG-CG 3.64Å; Y340-F359 HydrophobicContact CG-CG 3.64Å
341T96.5Very high95.5Very high45 Ų4570.1 Ų70.128%0.27632%0.32SS..EExtended strand (participates in β ladder)trans-85.5129-178.2-580000110.9H323 N326 Y343H323-T341 HydrophobicContact CB-CG2 3.26Å; H323-T341 VanDerWaalsContact CD2-CG2 3.47Å; H323-T341 WeakPolarHBondContact CD2-CG2 3.11Å; N326-T341 WeakPolarHBondContact OD1-CA 3.39Å; N326-T341 WeakPolarHBondContact OD1-CB 3.36Å; N326-T341 PolarHBondContact OD1-OG1 3.46Å; T341-Y343 HydrophobicContact CG2-CD2 4.35Å; T341-Y343 HydrophobicContact CG2-CE1 4.19Å; T341-Y343 HydrophobicContact CG2-CE2 3.64Å
342V96.3Very high95Very high4 Ų474.4 Ų74.42%0.02434%0.343CS..EExtended strand (participates in β ladder)trans-110.1116-174.7-169.10000110.9H323 W324 C325 V327 Y340 E344 V347H323-V342 CarbonylContact C-O 3.55Å; H323-V342 VanDerWaalsContact CA-O 3.27Å; H323-V342 WeakPolarHBondContact CA-O 3.49Å; H323-V342 VanDerWaalsContact CB-O 3.31Å; H323-V342 WeakPolarHBondContact CB-O 3.4Å; W324-V342 HydrophobicContact CZ2-CB 4.49Å; W324-V342 HydrophobicContact CZ2-CG1 3.92Å; W324-V342 PolarHBondContact N-O 2.87Å; W324-V342 VanDerWaalsContact NE1-CG1 3.35Å; C325-V342 PolarHBondContact O-N 2.82Å; C325-V342 VanDerWaalsContact SG-CG2 3.6Å; V327-V342 HydrophobicContact CG2-CG2 3.97Å; Y340-V342 HydrophobicContact CD1-CG2 3.84Å; Y340-V342 HydrophobicContact CE1-CG2 4.05Å; V342-E344 WeakPolarHBondContact CG1-O 2.97Å; V342-V347 HydrophobicContact CG1-CB 3.8Å; V342-V347 HydrophobicContact CG1-CG1 3.77Å; V342-V347 HydrophobicContact CG2-CB 4.4Å; V342-V347 HydrophobicContact CG2-CG1 3.91Å
343Y94.1Very high94.4Very high117 Ų11772.5 Ų72.546%0.45934%0.335SS..  trans-99.1-43.9177.9-59.7-85.6000112.2Q321 H323 T341Q321-Y343 HydrophobicContact CB-CD1 3.69Å; Q321-Y343 HydrophobicContact CB-CE1 4.23Å; Q321-Y343 WeakPolarHBondContact O-CD1 3.35Å; Q321-Y343 WeakPolarHBondContact O-CE1 3.33Å; H323-Y343 HydrophobicContact CB-CD1 3.79Å; H323-Y343 HydrophobicContact CB-CE1 3.76Å; H323-Y343 HydrophobicContact CB-CG 4.35Å; T341-Y343 HydrophobicContact CG2-CD2 4.35Å; T341-Y343 HydrophobicContact CG2-CE1 4.19Å; T341-Y343 HydrophobicContact CG2-CE2 3.64Å
344E94Very high93.5Very high143 Ų14367.9 Ų67.967%0.66833%0.329SS*.SBendtrans-68.1151179.5-64.1-173.3-174.800112W324 V342 S346W324-E344 PolarHBondContact NE1-O 3.28Å; V342-E344 WeakPolarHBondContact CG1-O 2.97Å; E344-S346 PolarHBondContact O-N 2.87Å
345H93.7Very high92.6Very high132 Ų13270.4 Ų70.461%0.61134%0.336SS*.SBendtrans-61.1-16.5-180-73.5-81.3000114.2S387 K388H345-S387 CarbonylContact O-C 3.43Å; H345-S387 WeakPolarHBondContact O-CA 3.28Å; H345-K388 PolarHBondContact O-N 3.39Å
346S95.6Very high91.6Very high29 Ų2964.8 Ų64.820%0.20332%0.322CS..EExtended strand (participates in β ladder)trans-141.1148.1175.553.10000111.2E344 L386E344-S346 PolarHBondContact O-N 2.87Å; S346-L386 CarbonylContact C-O 3.57Å; S346-L386 WeakPolarHBondContact CA-O 3.42Å
347V96.1Very high91.1Very high11 Ų1170.3 Ų70.37%0.06736%0.356CS..EExtended strand (participates in β ladder)trans-140.3134.5176.561.70000111Y340 V342 I349 L386Y340-V347 HydrophobicContact CE1-CG2 3.84Å; V342-V347 HydrophobicContact CG1-CB 3.8Å; V342-V347 HydrophobicContact CG1-CG1 3.77Å; V342-V347 HydrophobicContact CG2-CB 4.4Å; V342-V347 HydrophobicContact CG2-CG1 3.91Å; V347-I349 HydrophobicContact CG1-CD1 4.5Å; V347-I349 HydrophobicContact CG1-CG1 4.42Å; V347-L386 HydrophobicContact CG1-CB 3.96Å; V347-L386 HydrophobicContact CG1-CD2 4.32Å; V347-L386 PolarHBondContact N-O 3.43Å; V347-L386 PolarHBondContact O-N 2.78Å
348S95.7Very high91.1Very high13 Ų1369.8 Ų69.89%0.09135%0.351CS..EExtended strand (participates in β ladder)trans-84.6129.9169.6-75.70000110.2T357 G358 F359 R398S348-T357 VanDerWaalsContact CB-O 3.31Å; S348-T357 WeakPolarHBondContact CB-O 3.39Å; S348-G358 CarbonylContact O-C 3.56Å; S348-G358 WeakPolarHBondContact O-CA 3.23Å; S348-F359 PolarHBondContact O-N 2.82Å; S348-R398 PolarHBondContact OG-NH1 2.91Å; S348-R398 PolarHBondContact OG-NH2 2.93Å
349I97.4Very high91.2Very high0 Ų059.7 Ų59.70%031%0.313CS..EExtended strand (participates in β ladder)trans-122.1114.7174.8-52164.9000107.5V327 V347 F359 L361 G383 I384 L482V327-I349 HydrophobicContact CG1-CD1 4.04Å; V327-I349 HydrophobicContact CG2-CD1 4.21Å; V347-I349 HydrophobicContact CG1-CD1 4.5Å; V347-I349 HydrophobicContact CG1-CG1 4.42Å; I349-F359 WeakPolarHBondContact CA-O 3.43Å; I349-F359 HydrophobicContact CB-CB 4.49Å; I349-F359 HydrophobicContact CG1-CB 4.13Å; I349-F359 HydrophobicContact CG2-CB 4.26Å; I349-F359 HydrophobicContact CG2-CD1 4.04Å; I349-F359 HydrophobicContact CG2-CG 4.41Å; I349-L361 HydrophobicContact CG2-CD1 3.98Å; I349-L361 HydrophobicContact CG2-CD2 4.16Å; I349-L361 HydrophobicContact CG2-CG 4Å; I349-G383 CarbonylContact O-C 3.57Å; I349-G383 VanDerWaalsContact O-CA 3.28Å; I349-G383 WeakPolarHBondContact O-CA 3.3Å; I349-I384 HydrophobicContact CB-CG1 3.97Å; I349-I384 HydrophobicContact CD1-CD1 4.07Å; I349-I384 HydrophobicContact CD1-CG1 4.23Å; I349-I384 HydrophobicContact CG1-CG1 4.49Å; I349-I384 PolarHBondContact N-O 3.41Å; I349-I384 PolarHBondContact O-N 2.86Å; I349-L482 HydrophobicContact CD1-CD1 4.02Å; I349-L482 HydrophobicContact CG2-CD1 3.94Å; I349-L482 HydrophobicContact CG2-CD2 4.31Å
350F96.1Very high91.1Very high9 Ų957.2 Ų57.24%0.03930%0.301CS..EExtended strand (participates in β ladder)trans-147.9164.8-165.458.8-90.2000112.3L353 G356 F359 C360 L361F350-L353 HydrophobicContact CB-CB 4.15Å; F350-L353 HydrophobicContact CB-CD2 4.49Å; F350-L353 HydrophobicContact CD1-CB 4.09Å; F350-L353 HydrophobicContact CD1-CD2 3.81Å; F350-L353 HydrophobicContact CD2-CB 3.25Å; F350-L353 HydrophobicContact CD2-CG 4.5Å; F350-L353 HydrophobicContact CE1-CB 4.3Å; F350-L353 HydrophobicContact CE1-CD2 4.08Å; F350-L353 HydrophobicContact CE2-CB 3.5Å; F350-L353 HydrophobicContact CG-CB 3.56Å; F350-L353 HydrophobicContact CG-CD2 4.03Å; F350-L353 HydrophobicContact CG-CG 4.45Å; F350-L353 HydrophobicContact CZ-CB 4.02Å; F350-G356 WeakPolarHBondContact CZ-O 3.4Å; F350-F359 PolarHBondContact N-O 2.92Å; F350-F359 VanDerWaalsContact N-O 3.1Å; F350-C360 HydrophobicContact CD2-CB 4.37Å; F350-C360 HydrophobicContact CE2-CB 3.71Å; F350-C360 HydrophobicContact CZ-CB 3.89Å; F350-C360 CarbonylContact O-C 3.55Å; F350-L361 WeakPolarHBondContact O-CB 3.42Å; F350-L361 PolarHBondContact O-N 3.02Å
351Y94.5Very high91.1Very high82 Ų8253.5 Ų53.532%0.32229%0.287SS..SBendtrans-97.6-45.6172.4179.6-93.8000111.9R377 G381Y351-R377 HydrophobicContact CD2-CB 4.03Å; Y351-R377 HydrophobicContact CE2-CB 3.75Å; Y351-G381 PolarHBondContact N-O 3.18Å
352D86.6Confident90.9Very high98 Ų9852.6 Ų52.652%0.52429%0.286SS..  trans-138.2119176-178.113.4000108.6G381 Y382D352-G381 PolarHBondContact N-O 2.98Å; D352-G381 CarbonylContact O-C 3.59Å; D352-Y382 VanDerWaalsContact O-CD1 3.31Å; D352-Y382 WeakPolarHBondContact O-CD1 3.3Å
353L83.8Confident90.7Very high19 Ų1959.5 Ų59.510%0.09932%0.319CS..  trans-146.5103.3177.2-170.159.1000108.1G194 F350 Q355 G356 Y382G194-L353 WeakPolarHBondContact O-CD1 3.24Å; F350-L353 HydrophobicContact CB-CB 4.15Å; F350-L353 HydrophobicContact CB-CD2 4.49Å; F350-L353 HydrophobicContact CD1-CB 4.09Å; F350-L353 HydrophobicContact CD1-CD2 3.81Å; F350-L353 HydrophobicContact CD2-CB 3.25Å; F350-L353 HydrophobicContact CD2-CG 4.5Å; F350-L353 HydrophobicContact CE1-CB 4.3Å; F350-L353 HydrophobicContact CE1-CD2 4.08Å; F350-L353 HydrophobicContact CE2-CB 3.5Å; F350-L353 HydrophobicContact CG-CB 3.56Å; F350-L353 HydrophobicContact CG-CD2 4.03Å; F350-L353 HydrophobicContact CG-CG 4.45Å; F350-L353 HydrophobicContact CZ-CB 4.02Å; L353-Q355 PolarHBondContact O-N 2.71Å; L353-Q355 VanDerWaalsContact O-N 3.08Å; L353-G356 VanDerWaalsContact CG-CA 3.49Å; L353-G356 PolarHBondContact O-N 3.19Å; L353-Y382 HydrophobicContact CD1-CD1 3.61Å; L353-Y382 HydrophobicContact CD1-CE1 4.16Å; L353-Y382 HydrophobicContact CD1-CG 4.11Å
354P75.8Confident90.5Very high90 Ų9055.2 Ų55.258%0.58430%0.303SS*.THydrogen-bonded Turntrans-57.4-30.3-167.5-28.834.6000115.6M195M195-P354 HydrophobicContact SD-CB 4.16Å; M195-P354 HydrophobicContact SD-CG 4.37Å
355Q76.7Confident89.9Confident128 Ų12855.2 Ų55.260%0.59831%0.308SS*.THydrogen-bonded Turntrans-126.125.2177.2-72.3-179.64.100112.1M195 L353M195-Q355 HydrophobicContact CE-CB 3.92Å; M195-Q355 HydrophobicContact CE-CG 3.45Å; M195-Q355 VanDerWaalsContact CE-CG 3.45Å; L353-Q355 PolarHBondContact O-N 2.71Å; L353-Q355 VanDerWaalsContact O-N 3.08Å
356G74.1Confident89.3Confident23 Ų2351.9 Ų51.924%0.23729%0.294CS..  trans-81.6130.2-177.100000113.3F350 L353F350-G356 WeakPolarHBondContact CZ-O 3.4Å; L353-G356 VanDerWaalsContact CG-CA 3.49Å; L353-G356 PolarHBondContact O-N 3.19Å
357T86.3Confident88.4Confident118 Ų11857.8 Ų57.872%0.72432%0.324SS*.  trans-97.5145.3161.4570000109.6S348S348-T357 VanDerWaalsContact CB-O 3.31Å; S348-T357 WeakPolarHBondContact CB-O 3.39Å
358G93.1Very high87.8Confident29 Ų2966.6 Ų66.630%0.29936%0.364SS..EExtended strand (participates in β ladder)trans131.5-150178.300000113.1S348 C360S348-G358 CarbonylContact O-C 3.56Å; S348-G358 WeakPolarHBondContact O-CA 3.23Å; G358-C360 PolarHBondContact O-N 2.82Å
359F95.8Very high87.7Confident12 Ų1268.4 Ų68.45%0.05337%0.369CS..EExtended strand (participates in β ladder)trans-89.896.7-173.9-170.4-164.1000111.7V327 Y340 S348 I349 F350 L361 L364V327-F359 HydrophobicContact CB-CD1 4.2Å; V327-F359 HydrophobicContact CB-CE1 4.25Å; V327-F359 HydrophobicContact CG1-CD1 3.96Å; V327-F359 HydrophobicContact CG1-CE1 3.93Å; Y340-F359 HydrophobicContact CD1-CB 4.03Å; Y340-F359 HydrophobicContact CD1-CD1 4.46Å; Y340-F359 HydrophobicContact CD1-CG 4.27Å; Y340-F359 HydrophobicContact CD2-CB 3.78Å; Y340-F359 HydrophobicContact CD2-CD1 4.35Å; Y340-F359 AromaticContact CD2-CD2 3.53Å; Y340-F359 HydrophobicContact CD2-CD2 3.53Å; Y340-F359 HydrophobicContact CD2-CE2 4.16Å; Y340-F359 AromaticContact CD2-CG 3.64Å; Y340-F359 HydrophobicContact CD2-CG 3.64Å; Y340-F359 HydrophobicContact CE1-CB 4.18Å; Y340-F359 HydrophobicContact CE2-CB 3.9Å; Y340-F359 HydrophobicContact CE2-CD2 4.21Å; Y340-F359 HydrophobicContact CE2-CG 4.24Å; Y340-F359 HydrophobicContact CG-CB 3.85Å; Y340-F359 AromaticContact CG-CD1 3.92Å; Y340-F359 HydrophobicContact CG-CD1 3.92Å; Y340-F359 AromaticContact CG-CD2 3.94Å; Y340-F359 HydrophobicContact CG-CD2 3.94Å; Y340-F359 HydrophobicContact CG-CE1 4.44Å; Y340-F359 HydrophobicContact CG-CE2 4.46Å; Y340-F359 AromaticContact CG-CG 3.64Å; Y340-F359 HydrophobicContact CG-CG 3.64Å; S348-F359 PolarHBondContact O-N 2.82Å; I349-F359 WeakPolarHBondContact CA-O 3.43Å; I349-F359 HydrophobicContact CB-CB 4.49Å; I349-F359 HydrophobicContact CG1-CB 4.13Å; I349-F359 HydrophobicContact CG2-CB 4.26Å; I349-F359 HydrophobicContact CG2-CD1 4.04Å; I349-F359 HydrophobicContact CG2-CG 4.41Å; F350-F359 PolarHBondContact N-O 2.92Å; F350-F359 VanDerWaalsContact N-O 3.1Å; F359-L361 HydrophobicContact CD1-CD2 4.06Å; F359-L361 HydrophobicContact CD2-CD2 4.33Å; F359-L361 HydrophobicContact CE1-CD2 3.8Å; F359-L361 HydrophobicContact CE2-CD2 4.09Å; F359-L361 HydrophobicContact CG-CD2 4.32Å; F359-L361 HydrophobicContact CZ-CD2 3.82Å; F359-L361 PolarHBondContact O-N 3.4Å; F359-L364 HydrophobicContact CE2-CD1 3.96Å; F359-L364 HydrophobicContact CE2-CD2 4.3Å; F359-L364 HydrophobicContact CE2-CG 4.45Å; F359-L364 HydrophobicContact CZ-CD1 3.96Å
360C95.4Very high87.5Confident21 Ų2170.7 Ų70.714%0.14239%0.385CS..EExtended strand (participates in β ladder)trans-83.2103.7177.5-174.50000111.7F350 G358 G362 Q363F350-C360 HydrophobicContact CD2-CB 4.37Å; F350-C360 HydrophobicContact CE2-CB 3.71Å; F350-C360 HydrophobicContact CZ-CB 3.89Å; F350-C360 CarbonylContact O-C 3.55Å; G358-C360 PolarHBondContact O-N 2.82Å; C360-G362 PolarHBondContact O-N 2.85Å; C360-Q363 HydrophobicContact CB-CG 4.23Å; C360-Q363 PolarHBondContact O-N 2.95Å
361L95.8Very high87.4Confident0 Ų074.1 Ų74.10%041%0.41CS..G310 helixtrans-69-23.2176.4-56.8-178.5000112.4Y329 I349 F350 F359 Q363 L364 R377 I380 F462 L482Y329-L361 HydrophobicContact CD1-CD2 4.28Å; Y329-L361 HydrophobicContact CD2-CD1 3.96Å; Y329-L361 HydrophobicContact CD2-CD2 3.87Å; Y329-L361 HydrophobicContact CD2-CG 4.49Å; Y329-L361 HydrophobicContact CE2-CD1 3.97Å; Y329-L361 HydrophobicContact CE2-CD2 4.48Å; Y329-L361 HydrophobicContact CG-CD2 3.75Å; I349-L361 HydrophobicContact CG2-CD1 3.98Å; I349-L361 HydrophobicContact CG2-CD2 4.16Å; I349-L361 HydrophobicContact CG2-CG 4Å; F350-L361 WeakPolarHBondContact O-CB 3.42Å; F350-L361 PolarHBondContact O-N 3.02Å; F359-L361 HydrophobicContact CD1-CD2 4.06Å; F359-L361 HydrophobicContact CD2-CD2 4.33Å; F359-L361 HydrophobicContact CE1-CD2 3.8Å; F359-L361 HydrophobicContact CE2-CD2 4.09Å; F359-L361 HydrophobicContact CG-CD2 4.32Å; F359-L361 HydrophobicContact CZ-CD2 3.82Å; F359-L361 PolarHBondContact O-N 3.4Å; L361-Q363 PolarHBondContact O-N 2.86Å; L361-L364 HydrophobicContact CD2-CD1 3.86Å; L361-L364 WeakPolarHBondContact O-CB 3.34Å; L361-L364 PolarHBondContact O-N 2.78Å; L361-R377 PolarHBondContact O-NH1 3.38Å; L361-R377 PolarHBondContact O-NH2 2.91Å; L361-I380 HydrophobicContact CD1-CD1 3.95Å; L361-I380 HydrophobicContact CD1-CG2 4.45Å; L361-F462 HydrophobicContact CD1-CE2 3.88Å; L361-F462 HydrophobicContact CD1-CZ 4.19Å; L361-L482 HydrophobicContact CD1-CD2 4.41Å; L361-L482 HydrophobicContact CD2-CD2 4.4Å
362G92.1Very high87.4Confident26 Ų2672.7 Ų72.727%0.26841%0.41SS..G310 helixtrans-62.2-31177.600000113.2C360 L364C360-G362 PolarHBondContact O-N 2.85Å; G362-L364 VanDerWaalsContact C-N 3.33Å
363Q91.5Very high87.9Confident150 Ų15068.1 Ų68.170%0.70139%0.385SS*.G310 helixtrans-81-11.2180-68.4172.9-14.900113.7C360 L361 N365C360-Q363 HydrophobicContact CB-CG 4.23Å; C360-Q363 PolarHBondContact O-N 2.95Å; L361-Q363 PolarHBondContact O-N 2.86Å; Q363-N365 PolarHBondContact O-N 2.77Å
364L90.6Very high88.4Confident27 Ų2771.7 Ų71.714%0.14140%0.404CS..  trans-75.8112.9179.2-60.1179.5000109.7Y329 V336 F359 L361 G362 R369Y329-L364 HydrophobicContact CD1-CD1 3.42Å; Y329-L364 VanDerWaalsContact CD1-CD1 3.42Å; Y329-L364 HydrophobicContact CE1-CD1 4.2Å; Y329-L364 HydrophobicContact CG-CD1 4Å; V336-L364 HydrophobicContact CG1-CB 4.07Å; F359-L364 HydrophobicContact CE2-CD1 3.96Å; F359-L364 HydrophobicContact CE2-CD2 4.3Å; F359-L364 HydrophobicContact CE2-CG 4.45Å; F359-L364 HydrophobicContact CZ-CD1 3.96Å; L361-L364 HydrophobicContact CD2-CD1 3.86Å; L361-L364 WeakPolarHBondContact O-CB 3.34Å; L361-L364 PolarHBondContact O-N 2.78Å; G362-L364 VanDerWaalsContact C-N 3.33Å; L364-R369 PolarHBondContact O-NH1 3.36Å; L364-R369 PolarHBondContact O-NH2 3.45Å
365N81.2Confident89.4Confident142 Ų14275 Ų7576%0.75941%0.405SS*.  trans-92.9138177.1-66.9-41.3000110.7Q363Q363-N365 PolarHBondContact O-N 2.77Å
366L82.3Confident90.3Very high63 Ų6369.1 Ų69.133%0.3338%0.378SS..  trans-143.5127171.4-172.174.4000106V336 R369V336-L366 HydrophobicContact CG1-CB 4.16Å; V336-L366 HydrophobicContact CG2-CD1 4.4Å; V336-L366 HydrophobicContact CG2-CD2 3.87Å; L366-R369 HydrophobicContact CB-CG 4.47Å; L366-R369 VanDerWaalsContact N-NH1 3.15Å; L366-R369 PolarHBondContact O-NH1 3.05Å
367D76.6Confident91.4Very high153 Ų15368.3 Ų68.382%0.81837%0.368SS*.SBendtrans-67.3136.4177.1-64.1-36.9000109.6
368Q83.4Confident91.8Very high196 Ų19665.2 Ų65.292%0.91636%0.359SS*.SBendtrans57.675.1176.2-57-177-8.600115
369R92.1Very high91.9Very high50 Ų5067 Ų6719%0.18936%0.358CS..  trans-82.1143.7171-71.4-177.6165104.3-6.7112.7E331 L364 L366 V373 L374E331-R369 VanDerWaalsContact CD-NE 3.34Å; E331-R369 IonicContact OE1-CZ 3.13Å; E331-R369 IonicContact OE1-NE 3.2Å; E331-R369 PolarHBondContact OE1-NE 2.84Å; E331-R369 IonicContact OE1-NH2 3.5Å; E331-R369 PolarHBondContact OE1-NH2 3.1Å; E331-R369 IonicContact OE2-CZ 2.81Å; E331-R369 IonicContact OE2-NE 3.47Å; E331-R369 PolarHBondContact OE2-NE 2.89Å; E331-R369 IonicContact OE2-NH2 3.78Å; L364-R369 PolarHBondContact O-NH1 3.36Å; L364-R369 PolarHBondContact O-NH2 3.45Å; L366-R369 HydrophobicContact CB-CG 4.47Å; L366-R369 VanDerWaalsContact N-NH1 3.15Å; L366-R369 PolarHBondContact O-NH1 3.05Å; R369-V373 HydrophobicContact CG-CG1 4.46Å; R369-L374 HydrophobicContact CB-CD1 4.42Å; R369-L374 HydrophobicContact CB-CD2 3.98Å; R369-L374 HydrophobicContact CB-CG 3.91Å
370S93.3Very high92Very high49 Ų4966.4 Ų66.434%0.34336%0.356SS..  trans-67.4152169.8790000111.3T372 V373 L374S370-T372 PolarHBondContact O-N 3.33Å; S370-T372 PolarHBondContact OG-OG1 3.27Å; S370-T372 VanDerWaalsContact OG-OG1 3.08Å; S370-V373 PolarHBondContact O-N 3.46Å; S370-V373 VanDerWaalsContact OG-CG2 3.26Å; S370-V373 WeakPolarHBondContact OG-CG2 3.39Å; S370-V373 PolarHBondContact OG-N 3.04Å; S370-L374 PolarHBondContact O-N 2.75Å; S370-L374 VanDerWaalsContact O-N 3.11Å
371S94.5Very high92Very high81 Ų8166.6 Ų66.657%0.56636%0.361SS*.Hα-helixtrans-61-29178.761.70000113R375S371-R375 WeakPolarHBondContact O-CB 3.43Å; S371-R375 PolarHBondContact O-N 3.38Å; S371-R375 VanDerWaalsContact O-N 3.14Å
372T95.3Very high91.9Very high51 Ų5170 Ų7031%0.31337%0.374SS..Hα-helixtrans-73.2-36.3178.3620000112.2S370 T376S370-T372 PolarHBondContact O-N 3.33Å; S370-T372 PolarHBondContact OG-OG1 3.27Å; S370-T372 VanDerWaalsContact OG-OG1 3.08Å; T372-T376 WeakPolarHBondContact O-CB 3.49Å; T372-T376 PolarHBondContact O-N 3.01Å; T372-T376 VanDerWaalsContact O-N 3.1Å; T372-T376 PolarHBondContact O-OG1 3.3Å
373V96.3Very high92.1Very high2 Ų268.7 Ų68.71%0.01236%0.361CS..Hα-helixtrans-66.7-50.2173.8170.40000110.2E331 R369 S370 R375 T376 R377 P479E331-V373 HydrophobicContact CB-CG1 4.32Å; E331-V373 HydrophobicContact CB-CG2 4.48Å; E331-V373 HydrophobicContact CG-CG1 3.89Å; E331-V373 WeakPolarHBondContact OE2-CG1 3.19Å; R369-V373 HydrophobicContact CG-CG1 4.46Å; S370-V373 PolarHBondContact O-N 3.46Å; S370-V373 VanDerWaalsContact OG-CG2 3.26Å; S370-V373 WeakPolarHBondContact OG-CG2 3.39Å; S370-V373 PolarHBondContact OG-N 3.04Å; V373-R375 VanDerWaalsContact C-N 3.31Å; V373-R375 PolarHBondContact O-N 3.48Å; V373-T376 CarbonylContact O-C 3.55Å; V373-T376 PolarHBondContact O-N 3.38Å; V373-R377 HydrophobicContact CG1-CG 4.15Å; V373-R377 WeakPolarHBondContact O-CG 3.42Å; V373-R377 PolarHBondContact O-N 2.64Å; V373-P479 HydrophobicContact CG2-CB 3.94Å
374L94.9Very high92.4Very high95 Ų9561.6 Ų61.650%0.49733%0.328SS..Hα-helixtrans-55.8-46178.5-70172.2000112R369 S370 T376 R377 G378R369-L374 HydrophobicContact CB-CD1 4.42Å; R369-L374 HydrophobicContact CB-CD2 3.98Å; R369-L374 HydrophobicContact CB-CG 3.91Å; S370-L374 PolarHBondContact O-N 2.75Å; S370-L374 VanDerWaalsContact O-N 3.11Å; L374-T376 VanDerWaalsContact C-N 3.28Å; L374-T376 PolarHBondContact O-N 2.7Å; L374-R377 PolarHBondContact O-N 2.7Å; L374-G378 PolarHBondContact O-N 2.82Å; L374-G378 VanDerWaalsContact O-N 3.14Å
375R95.8Very high92.7Very high160 Ų16060.4 Ų60.460%0.60432%0.322SS*.Hα-helixtrans-61.7-36.4175.9-168.9-173.4-57.6140.74.1112.5S371 V373 K379S371-R375 WeakPolarHBondContact O-CB 3.43Å; S371-R375 PolarHBondContact O-N 3.38Å; S371-R375 VanDerWaalsContact O-N 3.14Å; V373-R375 VanDerWaalsContact C-N 3.31Å; V373-R375 PolarHBondContact O-N 3.48Å; R375-K379 WeakPolarHBondContact O-CG 3.25Å
376T96.9Very high93.5Very high4 Ų453.7 Ų53.73%0.02529%0.286CS..Hα-helixtrans-77.8-37.4-179-55.20000111.6T372 V373 L374 G378 K379 I380 F462 A463 P479 C480T372-T376 WeakPolarHBondContact O-CB 3.49Å; T372-T376 PolarHBondContact O-N 3.01Å; T372-T376 VanDerWaalsContact O-N 3.1Å; T372-T376 PolarHBondContact O-OG1 3.3Å; V373-T376 CarbonylContact O-C 3.55Å; V373-T376 PolarHBondContact O-N 3.38Å; L374-T376 VanDerWaalsContact C-N 3.28Å; L374-T376 PolarHBondContact O-N 2.7Å; T376-G378 VanDerWaalsContact C-N 3.34Å; T376-G378 PolarHBondContact O-N 3Å; T376-K379 WeakPolarHBondContact O-CB 3.43Å; T376-K379 PolarHBondContact O-N 3.17Å; T376-I380 PolarHBondContact O-N 3.47Å; T376-F462 WeakPolarHBondContact CG2-O 3.2Å; T376-A463 HydrophobicContact CG2-CB 4.26Å; T376-P479 HydrophobicContact CG2-CB 4.24Å; T376-C480 HydrophobicContact CG2-CB 3.97Å
377R95.9Very high94.2Very high6 Ų651 Ų512%0.02327%0.273CS..Hα-helixtrans-56.8-45.9172.3-73.4174.863760.6111.6Y329 E331 Y351 L361 V373 L374 K379 I380 C480Y329-R377 PolarHBondContact OH-NH1 2.75Å; E331-R377 IonicContact OE1-CZ 3.82Å; E331-R377 IonicContact OE1-NE 2.94Å; E331-R377 IonicContact OE1-NH1 3.35Å; E331-R377 PolarHBondContact OE1-NH1 2.93Å; Y351-R377 HydrophobicContact CD2-CB 4.03Å; Y351-R377 HydrophobicContact CE2-CB 3.75Å; L361-R377 PolarHBondContact O-NH1 3.38Å; L361-R377 PolarHBondContact O-NH2 2.91Å; V373-R377 HydrophobicContact CG1-CG 4.15Å; V373-R377 WeakPolarHBondContact O-CG 3.42Å; V373-R377 PolarHBondContact O-N 2.64Å; L374-R377 PolarHBondContact O-N 2.7Å; R377-K379 PolarHBondContact O-N 3.04Å; R377-K379 VanDerWaalsContact O-N 3.1Å; R377-I380 WeakPolarHBondContact O-CB 3.34Å; R377-I380 WeakPolarHBondContact O-CG1 3.33Å; R377-I380 PolarHBondContact O-N 3.33Å; R377-C480 VanDerWaalsContact CG-SG 3.59Å
378G94.7Very high95.1Very high52 Ų5247.6 Ų47.654%0.53625%0.251SS..THydrogen-bonded Turntrans-61.7-17.8175.100000114.6L374 T376L374-G378 PolarHBondContact O-N 2.82Å; L374-G378 VanDerWaalsContact O-N 3.14Å; T376-G378 VanDerWaalsContact C-N 3.34Å; T376-G378 PolarHBondContact O-N 3Å
379K96.8Very high95.7Very high67 Ų6739 Ų3929%0.29121%0.21SC..THydrogen-bonded Turntrans-89.3-11.7177-68.5-178.9172-140.40114.1R375 T376 R377 H401 A463R375-K379 WeakPolarHBondContact O-CG 3.25Å; T376-K379 WeakPolarHBondContact O-CB 3.43Å; T376-K379 PolarHBondContact O-N 3.17Å; R377-K379 PolarHBondContact O-N 3.04Å; R377-K379 VanDerWaalsContact O-N 3.1Å; K379-H401 HydrophobicContact CB-CB 4.44Å; K379-H401 WeakPolarHBondContact CD-NE2 3.41Å; K379-H401 PolarHBondContact NZ-NE2 2.89Å; K379-H401 PolarHBondContact O-ND1 3.19Å; K379-A463 HydrophobicContact CB-CB 4.12Å; K379-A463 HydrophobicContact CD-CB 3.99Å
380I97Very high95.8Very high0 Ų042.4 Ų42.40%024%0.239CC..THydrogen-bonded Turntrans-66.8-44179.4-61.4175.3000109.6L361 T376 R377 Y382 G383 S399 F462 C480L361-I380 HydrophobicContact CD1-CD1 3.95Å; L361-I380 HydrophobicContact CD1-CG2 4.45Å; T376-I380 PolarHBondContact O-N 3.47Å; R377-I380 WeakPolarHBondContact O-CB 3.34Å; R377-I380 WeakPolarHBondContact O-CG1 3.33Å; R377-I380 PolarHBondContact O-N 3.33Å; I380-Y382 PolarHBondContact O-N 2.99Å; I380-G383 VanDerWaalsContact O-CA 3.25Å; I380-G383 WeakPolarHBondContact O-CA 3.47Å; I380-G383 PolarHBondContact O-N 2.84Å; I380-S399 WeakPolarHBondContact O-CB 3.36Å; I380-F462 HydrophobicContact CB-CD1 4.47Å; I380-F462 HydrophobicContact CD1-CD2 3.88Å; I380-F462 HydrophobicContact CD1-CE2 4.19Å; I380-F462 HydrophobicContact CD1-CG 4.14Å; I380-F462 HydrophobicContact CG1-CB 3.91Å; I380-F462 HydrophobicContact CG1-CD1 4.04Å; I380-F462 HydrophobicContact CG1-CD2 4.03Å; I380-F462 HydrophobicContact CG1-CG 3.74Å; I380-F462 HydrophobicContact CG2-CD1 4.14Å; I380-F462 HydrophobicContact CG2-CE1 3.92Å; I380-F462 HydrophobicContact CG2-CZ 4.16Å; I380-C480 HydrophobicContact CD1-CB 4.38Å
381G94.8Very high95.7Very high24 Ų2443.2 Ų43.225%0.24724%0.239CC..THydrogen-bonded Turntrans52.3-127.6179.700000112.2Y351 D352 G383Y351-G381 PolarHBondContact N-O 3.18Å; D352-G381 PolarHBondContact N-O 2.98Å; D352-G381 CarbonylContact O-C 3.59Å; G381-G383 PolarHBondContact O-N 2.74Å; G381-G383 VanDerWaalsContact O-N 3.12Å
382Y94.5Very high95.8Very high71 Ų7139.3 Ų39.328%0.27821%0.212SC..THydrogen-bonded Turntrans-67.1-6175-53-29.2000114.3G194 D352 L353 I380 I384 R398G194-Y382 WeakPolarHBondContact CA-OH 3.36Å; D352-Y382 VanDerWaalsContact O-CD1 3.31Å; D352-Y382 WeakPolarHBondContact O-CD1 3.3Å; L353-Y382 HydrophobicContact CD1-CD1 3.61Å; L353-Y382 HydrophobicContact CD1-CE1 4.16Å; L353-Y382 HydrophobicContact CD1-CG 4.11Å; I380-Y382 PolarHBondContact O-N 2.99Å; Y382-I384 PolarHBondContact O-N 3.02Å; Y382-R398 PolarHBondContact O-NE 3.49Å; Y382-R398 PolarHBondContact O-NH2 3.05Å
383G96.1Very high95.9Very high0 Ų036.9 Ų36.90%020%0.197CC..  trans59.5-125.817100000113.5I349 I380 G381 R398 S399I349-G383 CarbonylContact O-C 3.57Å; I349-G383 VanDerWaalsContact O-CA 3.28Å; I349-G383 WeakPolarHBondContact O-CA 3.3Å; I380-G383 VanDerWaalsContact O-CA 3.25Å; I380-G383 WeakPolarHBondContact O-CA 3.47Å; I380-G383 PolarHBondContact O-N 2.84Å; G381-G383 PolarHBondContact O-N 2.74Å; G381-G383 VanDerWaalsContact O-N 3.12Å; G383-R398 CarbonylContact O-C 3.56Å; G383-R398 WeakPolarHBondContact O-CA 3.31Å; G383-R398 PolarHBondContact O-N 3.02Å; G383-S399 PolarHBondContact O-N 3.06Å
384I97.3Very high95.9Very high0 Ų038.1 Ų38.10%020%0.202CC..EExtended strand (participates in β ladder)trans-127.5156-177.962.9167.7000111.8I349 Y382 Y396 R398 I403 I460 F462 L482I349-I384 HydrophobicContact CB-CG1 3.97Å; I349-I384 HydrophobicContact CD1-CD1 4.07Å; I349-I384 HydrophobicContact CD1-CG1 4.23Å; I349-I384 HydrophobicContact CG1-CG1 4.49Å; I349-I384 PolarHBondContact N-O 3.41Å; I349-I384 PolarHBondContact O-N 2.86Å; Y382-I384 PolarHBondContact O-N 3.02Å; I384-Y396 CarbonylContact C-O 3.52Å; I384-Y396 VanDerWaalsContact CA-O 3.23Å; I384-Y396 WeakPolarHBondContact CA-O 3.38Å; I384-R398 PolarHBondContact O-NH2 2.81Å; I384-I403 HydrophobicContact CG2-CD1 3.68Å; I384-I403 HydrophobicContact CG2-CG2 4.21Å; I384-I460 HydrophobicContact CD1-CD1 4Å; I384-F462 HydrophobicContact CG2-CE1 4.19Å; I384-L482 HydrophobicContact CD1-CD1 4.01Å
385L96.7Very high96.1Very high3 Ų333.6 Ų33.62%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-107.7120.4160.9175.970000107.2Y396L385-Y396 HydrophobicContact CB-CD1 4.1Å; L385-Y396 HydrophobicContact CD2-CD1 4.36Å; L385-Y396 PolarHBondContact N-O 2.81Å; L385-Y396 PolarHBondContact O-N 2.69Å
386L97.9Very high96.2Very high0 Ų026.6 Ų26.60%015%0.152CC..EExtended strand (participates in β ladder)trans-102.8127.5176.6-170.476.6000108.5W324 S346 V347 V393 W394 A395 V431 I484W324-L386 HydrophobicContact CH2-CD2 3.59Å; W324-L386 HydrophobicContact CH2-CG 3.87Å; W324-L386 HydrophobicContact CZ2-CD2 4.31Å; W324-L386 HydrophobicContact CZ3-CD2 4.41Å; S346-L386 CarbonylContact C-O 3.57Å; S346-L386 WeakPolarHBondContact CA-O 3.42Å; V347-L386 HydrophobicContact CG1-CB 3.96Å; V347-L386 HydrophobicContact CG1-CD2 4.32Å; V347-L386 PolarHBondContact N-O 3.43Å; V347-L386 PolarHBondContact O-N 2.78Å; L386-V393 HydrophobicContact CD1-CG1 3.85Å; L386-V393 HydrophobicContact CG-CG1 4.12Å; L386-W394 WeakPolarHBondContact CA-O 3.22Å; L386-W394 WeakPolarHBondContact CD1-O 3.44Å; L386-A395 HydrophobicContact CD1-CB 4.16Å; L386-V431 HydrophobicContact CD1-CG2 4.29Å; L386-I484 HydrophobicContact CD1-CD1 3.81Å; L386-I484 HydrophobicContact CD2-CD1 3.89Å; L386-I484 HydrophobicContact CD2-CG1 4.33Å; L386-I484 HydrophobicContact CD2-CG2 4.03Å
387S97.4Very high96.2Very high7 Ų726.4 Ų26.45%0.04915%0.151CC..EExtended strand (participates in β ladder)trans-129.8136.9-177.854.40000112.5H345 E389 V393 W394H345-S387 CarbonylContact O-C 3.43Å; H345-S387 WeakPolarHBondContact O-CA 3.28Å; S387-E389 PolarHBondContact OG-OE1 2.94Å; S387-V393 CarbonylContact O-C 3.58Å; S387-V393 WeakPolarHBondContact O-CA 3.36Å; S387-W394 PolarHBondContact N-O 2.92Å; S387-W394 PolarHBondContact O-N 2.87Å
388K96.3Very high96.2Very high82 Ų8228.2 Ų28.236%0.35716%0.157SC..EExtended strand (participates in β ladder)trans-91.3108.5168.6-169.9-160.5-179.1-167.90108.7W324 H345 Y434W324-K388 HydrophobicContact CB-CD 3.85Å; W324-K388 HydrophobicContact CD2-CB 3.89Å; W324-K388 HydrophobicContact CD2-CD 4.1Å; W324-K388 HydrophobicContact CD2-CG 4.2Å; W324-K388 HydrophobicContact CE3-CB 4.05Å; W324-K388 HydrophobicContact CE3-CD 4.42Å; W324-K388 HydrophobicContact CE3-CG 4.19Å; W324-K388 HydrophobicContact CG-CB 4.4Å; W324-K388 HydrophobicContact CG-CD 3.84Å; W324-K388 HydrophobicContact CG-CG 4.47Å; W324-K388 HydrophobicContact CH2-CB 4.27Å; W324-K388 HydrophobicContact CZ2-CB 4.13Å; W324-K388 HydrophobicContact CZ3-CB 4.24Å; H345-K388 PolarHBondContact O-N 3.39Å; K388-Y434 WeakPolarHBondContact CE-OH 3.42Å; K388-Y434 VanDerWaalsContact CG-OH 3.26Å; K388-Y434 WeakPolarHBondContact CG-OH 3.49Å
389E95.4Very high96.2Very high14 Ų1425.9 Ų25.97%0.06513%0.133CC..EExtended strand (participates in β ladder)trans-113.7167-177.8-62.3-177.1-157.800110.4K236 F244 S387 D391 G392 Y434K236-E389 WeakPolarHBondContact CE-OE2 3.38Å; K236-E389 IonicContact NZ-OE1 3.89Å; K236-E389 PolarHBondContact NZ-OE1 3.46Å; K236-E389 IonicContact NZ-OE2 3.19Å; K236-E389 PolarHBondContact NZ-OE2 3.06Å; F244-E389 HydrophobicContact CE2-CG 4.49Å; F244-E389 VanDerWaalsContact CE2-OE2 3.3Å; F244-E389 WeakPolarHBondContact CE2-OE2 3.2Å; F244-E389 HydrophobicContact CZ-CB 4.43Å; F244-E389 HydrophobicContact CZ-CG 3.88Å; F244-E389 WeakPolarHBondContact CZ-OE2 3.33Å; S387-E389 PolarHBondContact OG-OE1 2.94Å; E389-D391 PolarHBondContact O-N 3.48Å; E389-G392 CarbonylContact C-O 3.45Å; E389-G392 WeakPolarHBondContact CA-O 3.29Å; E389-G392 PolarHBondContact N-O 2.92Å; E389-G392 PolarHBondContact O-N 2.92Å; E389-G392 VanDerWaalsContact O-O 3.04Å; E389-Y434 WeakPolarHBondContact O-CE2 3.26Å
390P93.4Very high96.1Very high123 Ų12330.2 Ų30.280%0.79915%0.154SC*.THydrogen-bonded Turntrans-59.4-29.7-176.5-26.235.9000114.2
391D92.8Very high96.2Very high65 Ų6532.6 Ų32.635%0.34817%0.166SC..THydrogen-bonded Turntrans-99.81-174.874.5-30.7000113.8E389 W394 K430E389-D391 PolarHBondContact O-N 3.48Å; D391-W394 PolarHBondContact OD1-NE1 3.16Å; D391-K430 VanDerWaalsContact CG-NZ 3.33Å; D391-K430 PolarHBondContact O-NZ 3.15Å; D391-K430 VanDerWaalsContact O-NZ 3.09Å; D391-K430 WeakPolarHBondContact OD2-CE 3.45Å; D391-K430 IonicContact OD2-NZ 3.14Å; D391-K430 PolarHBondContact OD2-NZ 2.89Å
392G95Very high96.3Very high0 Ų032.7 Ų32.70%016%0.161CC..EExtended strand (participates in β ladder)trans148.8-170.9-178.100000114.7E389 F432E389-G392 CarbonylContact C-O 3.45Å; E389-G392 WeakPolarHBondContact CA-O 3.29Å; E389-G392 PolarHBondContact N-O 2.92Å; E389-G392 PolarHBondContact O-N 2.92Å; E389-G392 VanDerWaalsContact O-O 3.04Å; G392-F432 CarbonylContact C-O 3.48Å; G392-F432 WeakPolarHBondContact CA-O 3.32Å
393V97.1Very high96.5Very high0 Ų029.3 Ų29.30%015%0.148CC..EExtended strand (participates in β ladder)trans-100.1132.6172.8-175.30000108.8W324 L386 S387 K430 V431 F432 Y434 L486W324-V393 HydrophobicContact CE3-CG2 4.44Å; W324-V393 HydrophobicContact CH2-CG1 3.91Å; W324-V393 HydrophobicContact CZ3-CB 4.49Å; W324-V393 HydrophobicContact CZ3-CG1 3.75Å; W324-V393 HydrophobicContact CZ3-CG2 3.84Å; L386-V393 HydrophobicContact CD1-CG1 3.85Å; L386-V393 HydrophobicContact CG-CG1 4.12Å; S387-V393 CarbonylContact O-C 3.58Å; S387-V393 WeakPolarHBondContact O-CA 3.36Å; V393-K430 CarbonylContact O-C 3.35Å; V393-V431 HydrophobicContact CB-CG2 4.06Å; V393-V431 HydrophobicContact CG1-CG2 3.82Å; V393-V431 VanDerWaalsContact O-CG2 3.32Å; V393-V431 WeakPolarHBondContact O-CG2 3.4Å; V393-V431 PolarHBondContact O-N 2.75Å; V393-F432 HydrophobicContact CB-CB 3.93Å; V393-F432 HydrophobicContact CG2-CB 4.17Å; V393-F432 PolarHBondContact N-O 2.82Å; V393-F432 PolarHBondContact O-N 2.92Å; V393-F432 VanDerWaalsContact O-N 3.08Å; V393-Y434 HydrophobicContact CG2-CE1 4.23Å; V393-L486 HydrophobicContact CG2-CD1 4.31Å; V393-L486 HydrophobicContact CG2-CD2 3.97Å
394W97.7Very high96.5Very high27 Ų2729.7 Ų29.710%0.10215%0.15CC..EExtended strand (participates in β ladder)trans-117.5145.6-178.5-70.380.7000111.3K236 L262 L386 S387 D391 I429 K430K236-W394 HydrophobicContact CD-CD2 4.14Å; K236-W394 HydrophobicContact CD-CE3 3.75Å; K236-W394 HydrophobicContact CD-CH2 3.95Å; K236-W394 HydrophobicContact CD-CZ2 4.3Å; K236-W394 HydrophobicContact CD-CZ3 3.67Å; L262-W394 HydrophobicContact CD2-CH2 3.83Å; L262-W394 HydrophobicContact CD2-CZ3 3.61Å; L386-W394 WeakPolarHBondContact CA-O 3.22Å; L386-W394 WeakPolarHBondContact CD1-O 3.44Å; S387-W394 PolarHBondContact N-O 2.92Å; S387-W394 PolarHBondContact O-N 2.87Å; D391-W394 PolarHBondContact OD1-NE1 3.16Å; W394-I429 WeakPolarHBondContact CA-O 3.26Å; W394-K430 HydrophobicContact CD2-CB 3.83Å; W394-K430 HydrophobicContact CD2-CG 4.3Å; W394-K430 HydrophobicContact CE3-CB 3.98Å; W394-K430 HydrophobicContact CH2-CB 3.91Å; W394-K430 HydrophobicContact CZ2-CB 3.77Å; W394-K430 HydrophobicContact CZ2-CD 4.43Å; W394-K430 VanDerWaalsContact CZ2-CE 3.44Å; W394-K430 HydrophobicContact CZ2-CG 4.23Å; W394-K430 HydrophobicContact CZ3-CB 4.01Å
395A98.3Very high96.5Very high0 Ų029.7 Ų29.70%015%0.15CC..EExtended strand (participates in β ladder)trans-120.9123.8170.200000109.8L386 S428 I429 V431 I460L386-A395 HydrophobicContact CD1-CB 4.16Å; A395-S428 VanDerWaalsContact O-CA 3.29Å; A395-S428 WeakPolarHBondContact O-CA 3.13Å; A395-I429 HydrophobicContact CB-CG2 4.37Å; A395-I429 PolarHBondContact N-O 2.77Å; A395-I429 PolarHBondContact O-N 3.16Å; A395-V431 HydrophobicContact CB-CG1 3.47Å; A395-V431 VanDerWaalsContact CB-CG1 3.47Å; A395-I460 HydrophobicContact CB-CD1 4.19Å
396Y97.8Very high96.4Very high14 Ų1430.2 Ų30.26%0.05515%0.153CC..EExtended strand (participates in β ladder)trans-104.4121.6174.3168.9-131.6000110R225 L238 S260 I384 L385 R398 G426 S428R225-Y396 PolarHBondContact NH1-OH 2.88Å; R225-Y396 PolarHBondContact NH2-OH 2.9Å; L238-Y396 HydrophobicContact CD1-CD1 3.82Å; L238-Y396 HydrophobicContact CD1-CE1 3.51Å; L238-Y396 HydrophobicContact CD2-CD1 3.64Å; L238-Y396 HydrophobicContact CD2-CD2 4.21Å; L238-Y396 HydrophobicContact CD2-CE1 4.06Å; L238-Y396 HydrophobicContact CD2-CG 3.73Å; L238-Y396 HydrophobicContact CG-CD1 4.41Å; L238-Y396 HydrophobicContact CG-CE1 4.44Å; S260-Y396 VanDerWaalsContact CB-CD2 3.43Å; I384-Y396 CarbonylContact C-O 3.52Å; I384-Y396 VanDerWaalsContact CA-O 3.23Å; I384-Y396 WeakPolarHBondContact CA-O 3.38Å; L385-Y396 HydrophobicContact CB-CD1 4.1Å; L385-Y396 HydrophobicContact CD2-CD1 4.36Å; L385-Y396 PolarHBondContact N-O 2.81Å; L385-Y396 PolarHBondContact O-N 2.69Å; Y396-R398 HydrophobicContact CD1-CG 3.56Å; Y396-R398 HydrophobicContact CE1-CG 3.3Å; Y396-R398 HydrophobicContact CG-CG 4.43Å; Y396-R398 PolarHBondContact O-N 2.83Å; Y396-G426 WeakPolarHBondContact CE2-O 3.28Å; Y396-S428 WeakPolarHBondContact CB-OG 3.39Å; Y396-S428 WeakPolarHBondContact CD2-OG 3.41Å
397N97.6Very high96.1Very high0 Ų030.2 Ų30.20%015%0.153CC..EExtended strand (participates in β ladder)trans-82.9109.8179.6-174.17.7000111.4S399 H401 I403 V423 M424 G426 Y427N397-S399 WeakPolarHBondContact OD1-CB 3.15Å; N397-S399 PolarHBondContact OD1-N 2.81Å; N397-S399 PolarHBondContact OD1-OG 3.26Å; N397-H401 PolarHBondContact ND2-O 3.05Å; N397-I403 HydrophobicContact CB-CD1 4.02Å; N397-I403 HydrophobicContact CB-CG1 4.26Å; N397-V423 HydrophobicContact CB-CG1 4.22Å; N397-V423 PolarHBondContact ND2-O 2.79Å; N397-V423 VanDerWaalsContact ND2-O 3.08Å; N397-M424 PolarHBondContact ND2-O 3.27Å; N397-G426 WeakPolarHBondContact O-CA 3.09Å; N397-G426 PolarHBondContact O-N 3.18Å; N397-Y427 PolarHBondContact N-O 2.84Å
398R95.6Very high95.6Very high43 Ų4330.2 Ų30.216%0.16215%0.152CC..  trans-97.7-9.4174.5-64.5-174.7-59.9-167.4-5.9113.3S348 Y382 G383 I384 Y396S348-R398 PolarHBondContact OG-NH1 2.91Å; S348-R398 PolarHBondContact OG-NH2 2.93Å; Y382-R398 PolarHBondContact O-NE 3.49Å; Y382-R398 PolarHBondContact O-NH2 3.05Å; G383-R398 CarbonylContact O-C 3.56Å; G383-R398 WeakPolarHBondContact O-CA 3.31Å; G383-R398 PolarHBondContact O-N 3.02Å; I384-R398 PolarHBondContact O-NH2 2.81Å; Y396-R398 HydrophobicContact CD1-CG 3.56Å; Y396-R398 HydrophobicContact CE1-CG 3.3Å; Y396-R398 HydrophobicContact CG-CG 4.43Å; Y396-R398 PolarHBondContact O-N 2.83Å
399S95.4Very high95.3Very high4 Ų426.3 Ų26.33%0.02814%0.136CC..SBendtrans-72159.9177.377.40000111.3I380 G383 N397 H401 P425I380-S399 WeakPolarHBondContact O-CB 3.36Å; G383-S399 PolarHBondContact O-N 3.06Å; N397-S399 WeakPolarHBondContact OD1-CB 3.15Å; N397-S399 PolarHBondContact OD1-N 2.81Å; N397-S399 PolarHBondContact OD1-OG 3.26Å; S399-H401 PolarHBondContact O-N 3.4Å; S399-H401 PolarHBondContact OG-N 2.9Å; S399-H401 PolarHBondContact OG-O 3.26Å; S399-P425 WeakPolarHBondContact O-CB 3.5Å; S399-P425 WeakPolarHBondContact O-CG 3.49Å
400E95.3Very high94.8Very high157 Ų15726.2 Ų26.273%0.73414%0.135SC*.SBendtrans-79.2-0.2174.2-60-173.7156.600112.9P425E400-P425 WeakPolarHBondContact O-CG 3.33Å
401H97.3Very high94.1Very high51 Ų5121.7 Ų21.724%0.23611%0.105CC..SBendtrans-120.6156.1-176.7-68.984.1000111K379 N397 S399 A463K379-H401 HydrophobicContact CB-CB 4.44Å; K379-H401 WeakPolarHBondContact CD-NE2 3.41Å; K379-H401 PolarHBondContact NZ-NE2 2.89Å; K379-H401 PolarHBondContact O-ND1 3.19Å; N397-H401 PolarHBondContact ND2-O 3.05Å; S399-H401 PolarHBondContact O-N 3.4Å; S399-H401 PolarHBondContact OG-N 2.9Å; S399-H401 PolarHBondContact OG-O 3.26Å; H401-A463 HydrophobicContact CB-CB 4.11Å
402P97.8Very high92.9Very high25 Ų2524.8 Ų24.816%0.16212%0.118CC..  trans-66.8145.8174.727.4-34.2000111.2F404 K422 V423 M424 A463P402-F404 HydrophobicContact CB-CE2 4.14Å; P402-F404 HydrophobicContact CB-CZ 4.23Å; P402-F404 HydrophobicContact CG-CE2 4.04Å; P402-F404 HydrophobicContact CG-CZ 4.11Å; P402-K422 HydrophobicContact CB-CD 4.42Å; P402-K422 HydrophobicContact CB-CG 3.93Å; P402-V423 VanDerWaalsContact CA-O 3.3Å; P402-V423 WeakPolarHBondContact CA-O 3.38Å; P402-M424 HydrophobicContact CB-SD 4.19Å; P402-A463 WeakPolarHBondContact O-CA 3.37Å; P402-A463 PolarHBondContact O-N 3.21Å
403I98.3Very high91.3Very high0 Ų029 Ų290%015%0.146CC..EExtended strand (participates in β ladder)trans-104.9159.3163.766.2176.8000109.2I384 N397 V405 V423 I460 S461 F462I384-I403 HydrophobicContact CG2-CD1 3.68Å; I384-I403 HydrophobicContact CG2-CG2 4.21Å; N397-I403 HydrophobicContact CB-CD1 4.02Å; N397-I403 HydrophobicContact CB-CG1 4.26Å; I403-V405 HydrophobicContact CD1-CG2 4.31Å; I403-V405 HydrophobicContact CG1-CG2 4.39Å; I403-V423 HydrophobicContact CD1-CB 4.25Å; I403-V423 HydrophobicContact CG1-CB 3.66Å; I403-V423 HydrophobicContact CG1-CG1 4.33Å; I403-V423 HydrophobicContact CG1-CG2 4.26Å; I403-V423 PolarHBondContact N-O 2.9Å; I403-V423 PolarHBondContact O-N 3.39Å; I403-I460 HydrophobicContact CB-CG2 4.11Å; I403-I460 HydrophobicContact CD1-CG2 4.14Å; I403-I460 HydrophobicContact CG1-CG2 4.49Å; I403-S461 WeakPolarHBondContact CA-O 3.3Å; I403-F462 HydrophobicContact CG2-CD1 3.85Å; I403-F462 HydrophobicContact CG2-CE1 4.29Å
404F97.4Very high89.6Confident9 Ų936.6 Ų36.64%0.03919%0.187CC..EExtended strand (participates in β ladder)trans-126.7125.6-177.4-62.5-94.5000108.1P402 V420 R421 K422 I460 S461 K464 G465 W466 Y470P402-F404 HydrophobicContact CB-CE2 4.14Å; P402-F404 HydrophobicContact CB-CZ 4.23Å; P402-F404 HydrophobicContact CG-CE2 4.04Å; P402-F404 HydrophobicContact CG-CZ 4.11Å; F404-V420 HydrophobicContact CB-CG1 3.74Å; F404-V420 HydrophobicContact CD1-CG1 4.43Å; F404-R421 WeakPolarHBondContact CA-O 3.39Å; F404-K422 HydrophobicContact CD1-CB 4.02Å; F404-K422 HydrophobicContact CD1-CG 4.15Å; F404-K422 HydrophobicContact CE1-CB 3.86Å; F404-K422 HydrophobicContact CE1-CD 3.97Å; F404-K422 HydrophobicContact CE1-CG 3.61Å; F404-K422 HydrophobicContact CZ-CD 4.28Å; F404-K422 HydrophobicContact CZ-CG 4.03Å; F404-I460 CarbonylContact O-C 3.57Å; F404-I460 VanDerWaalsContact O-CA 3.29Å; F404-I460 WeakPolarHBondContact O-CA 3.16Å; F404-S461 PolarHBondContact N-O 3.07Å; F404-S461 PolarHBondContact O-N 3.17Å; F404-K464 WeakPolarHBondContact CD2-O 3.38Å; F404-K464 VanDerWaalsContact CE2-C 3.43Å; F404-G465 VanDerWaalsContact CD2-N 3.33Å; F404-G465 VanDerWaalsContact CE2-N 3.28Å; F404-W466 HydrophobicContact CB-CE3 4.03Å; F404-W466 HydrophobicContact CB-CZ3 3.6Å; F404-W466 WeakPolarHBondContact O-CH2 3.34Å; F404-W466 VanDerWaalsContact O-CZ3 3.26Å; F404-W466 WeakPolarHBondContact O-CZ3 3.31Å; F404-Y470 HydrophobicContact CD1-CE1 4.11Å; F404-Y470 AromaticContact CD1-CZ 3.85Å; F404-Y470 WeakPolarHBondContact CD1-OH 3.33Å; F404-Y470 AromaticContact CE1-CE1 3.56Å; F404-Y470 HydrophobicContact CE1-CE1 3.56Å; F404-Y470 AromaticContact CE1-CZ 3.65Å; F404-Y470 VanDerWaalsContact CE1-OH 3.28Å; F404-Y470 WeakPolarHBondContact CE1-OH 3.48Å; F404-Y470 HydrophobicContact CZ-CE1 4.35Å
405V96.4Very high88.1Confident0 Ų037.6 Ų37.60%020%0.198CC..EExtended strand (participates in β ladder)trans-121.9131.1-169.7-176.30000110I403 L410 V420 R421 V423 I429 V431 V458 R459 I460I403-V405 HydrophobicContact CD1-CG2 4.31Å; I403-V405 HydrophobicContact CG1-CG2 4.39Å; V405-L410 HydrophobicContact CB-CD1 4.45Å; V405-L410 HydrophobicContact CG1-CD1 3.78Å; V405-V420 CarbonylContact O-C 3.56Å; V405-V420 WeakPolarHBondContact O-CA 3.46Å; V405-R421 PolarHBondContact N-O 2.88Å; V405-R421 PolarHBondContact O-N 2.82Å; V405-V423 HydrophobicContact CG2-CG2 3.99Å; V405-I429 HydrophobicContact CG2-CG2 4.29Å; V405-V431 HydrophobicContact CG1-CB 4.16Å; V405-V431 HydrophobicContact CG1-CG1 3.77Å; V405-V431 HydrophobicContact CG2-CG1 4.46Å; V405-V458 HydrophobicContact CG1-CG1 4.28Å; V405-R459 WeakPolarHBondContact CA-O 3.46Å; V405-I460 HydrophobicContact CG1-CG1 4.25Å; V405-I460 HydrophobicContact CG2-CD1 4.37Å; V405-I460 HydrophobicContact CG2-CG1 4.12Å; V405-I460 HydrophobicContact CG2-CG2 4.27Å
406N93.7Very high86.5Confident13 Ų1346.5 Ų46.57%0.0723%0.231CC..EExtended strand (participates in β ladder)trans-122.3139.6165.6172.3-114.9000108.5V419 V420 R459 W466N406-V419 PolarHBondContact ND2-O 2.88Å; N406-V420 HydrophobicContact CB-CG2 4.36Å; N406-R459 PolarHBondContact N-O 3.46Å; N406-R459 PolarHBondContact O-N 3.34Å; N406-W466 HydrophobicContact CB-CH2 3.91Å; N406-W466 HydrophobicContact CB-CZ2 3.38Å
407S92.3Very high85.1Confident0 Ų050 Ų500%025%0.254CS..  trans-159.8146.2176.5153.60000110.6T409 L410 V431S407-T409 PolarHBondContact O-N 2.66Å; S407-T409 VanDerWaalsContact O-N 3.11Å; S407-T409 PolarHBondContact OG-N 2.93Å; S407-T409 PolarHBondContact OG-OG1 3.09Å; S407-L410 WeakPolarHBondContact O-CB 3.41Å; S407-L410 PolarHBondContact O-N 2.79Å; S407-V431 WeakPolarHBondContact CB-O 3.42Å; S407-V431 PolarHBondContact OG-O 3.48Å
408P87.9Confident84.2Confident7 Ų753.3 Ų53.35%0.04527%0.272CS..G310 helixtrans-41.4-44.8174.3-37.640.2000115.2L410 F432 M440 Y453 S457P408-L410 VanDerWaalsContact C-N 3.28Å; P408-L410 PolarHBondContact O-N 3.28Å; P408-F432 HydrophobicContact CB-CE2 4.5Å; P408-M440 WeakPolarHBondContact O-CE 3.39Å; P408-Y453 WeakPolarHBondContact CA-OH 3.44Å; P408-Y453 WeakPolarHBondContact CB-OH 3.09Å; P408-Y453 HydrophobicContact CG-CE2 4.24Å; P408-Y453 WeakPolarHBondContact CG-OH 3.33Å; P408-S457 WeakPolarHBondContact CD-O 3.25Å
409T88.8Confident83.7Confident1 Ų153.1 Ų53.11%0.00628%0.275CS..G310 helixtrans-86.4-1.6-173.766.20000113S407 F432 D433 R436S407-T409 PolarHBondContact O-N 2.66Å; S407-T409 VanDerWaalsContact O-N 3.11Å; S407-T409 PolarHBondContact OG-N 2.93Å; S407-T409 PolarHBondContact OG-OG1 3.09Å; T409-F432 HydrophobicContact CG2-CD1 4.39Å; T409-F432 HydrophobicContact CG2-CD2 3.81Å; T409-F432 HydrophobicContact CG2-CE1 4.32Å; T409-F432 HydrophobicContact CG2-CE2 3.73Å; T409-F432 HydrophobicContact CG2-CG 4.16Å; T409-F432 HydrophobicContact CG2-CZ 4.01Å; T409-F432 VanDerWaalsContact OG1-CA 3.28Å; T409-F432 WeakPolarHBondContact OG1-CA 3.47Å; T409-D433 WeakPolarHBondContact CG2-O 3.26Å; T409-D433 PolarHBondContact OG1-N 2.88Å; T409-R436 HydrophobicContact CG2-CB 4.4Å; T409-R436 VanDerWaalsContact O-CD 3.31Å; T409-R436 WeakPolarHBondContact O-CD 3.15Å
410L85.3Confident83.5Confident11 Ų1154 Ų546%0.05828%0.28CS..G310 helixtrans-91.6-22.2175.3-56.4-176000112.5V405 S407 P408 R421 I429 K430V405-L410 HydrophobicContact CB-CD1 4.45Å; V405-L410 HydrophobicContact CG1-CD1 3.78Å; S407-L410 WeakPolarHBondContact O-CB 3.41Å; S407-L410 PolarHBondContact O-N 2.79Å; P408-L410 VanDerWaalsContact C-N 3.28Å; P408-L410 PolarHBondContact O-N 3.28Å; L410-R421 VanDerWaalsContact CB-NH2 3.26Å; L410-R421 PolarHBondContact O-NH2 2.84Å; L410-I429 HydrophobicContact CD1-CD1 4.27Å; L410-K430 WeakPolarHBondContact CD2-O 3.5Å
411D77.6Confident83.3Confident28 Ų2849.6 Ų49.615%0.1526%0.257CS..SBendtrans-71.4147.5178.8-61.9-30.7000109.8V419D411-V419 VanDerWaalsContact OD1-CB 3.24Å; D411-V419 WeakPolarHBondContact OD1-CB 3.31Å; D411-V419 WeakPolarHBondContact OD1-CG2 2.88Å; D411-V419 PolarHBondContact OD1-N 2.78Å; D411-V419 VanDerWaalsContact OD1-N 3.17Å
412M68.8Low83.2Confident130 Ų13050.5 Ų50.564%0.6426%0.26SS*.PPolyproline II helixtrans-71.9137.4177.4-71.8-62.6-68.700109.7N414 S415M412-N414 PolarHBondContact O-N 2.82Å; M412-S415 PolarHBondContact O-N 2.92Å
413P62Low83.2Confident89 Ų8949.3 Ų49.358%0.57825%0.252SS*.THydrogen-bonded Turntrans-56.2131.117523.6-31.5000109.1S415P413-S415 VanDerWaalsContact C-N 3.32Å; P413-S415 PolarHBondContact O-N 2.92Å
414N61.3Low83.1Confident160 Ų16053.2 Ų53.286%0.85627%0.271SS*.THydrogen-bonded Turntrans73.68.2-179.4-45.5-21.6000116.1M412M412-N414 PolarHBondContact O-N 2.82Å
415S65Low83.1Confident48 Ų4854.8 Ų54.834%0.33628%0.283SS..  trans-96.9131.9172.3-166.80000111.4M412 P413 T417M412-S415 PolarHBondContact O-N 2.92Å; P413-S415 VanDerWaalsContact C-N 3.32Å; P413-S415 PolarHBondContact O-N 2.92Å; S415-T417 PolarHBondContact O-N 2.94Å; S415-T417 WeakPolarHBondContact OG-CB 3.27Å; S415-T417 PolarHBondContact OG-N 2.79Å; S415-T417 PolarHBondContact OG-OG1 2.89Å
416R64.6Low83Confident187 Ų18755 Ų5571%0.70629%0.286SS*.  trans-834.8168-65.2-175.3176.3178.5-1.2112.7L418R416-L418 PolarHBondContact O-N 3.08Å
417T69.1Low83.2Confident86 Ų8656.7 Ų56.753%0.52829%0.291SS..  trans-80.8121.4-177.363.70000110.3S415 V419S415-T417 PolarHBondContact O-N 2.94Å; S415-T417 WeakPolarHBondContact OG-CB 3.27Å; S415-T417 PolarHBondContact OG-N 2.79Å; S415-T417 PolarHBondContact OG-OG1 2.89Å; T417-V419 PolarHBondContact O-N 2.81Å; T417-V419 VanDerWaalsContact O-N 3.16Å
418L78.3Confident83.5Confident71 Ų7156.8 Ų56.837%0.37229%0.292SS..  trans-64.7113.6172.4178.4141.3000109R416 V420R416-L418 PolarHBondContact O-N 3.08Å; L418-V420 HydrophobicContact CD2-CG2 3.37Å; L418-V420 HydrophobicContact CG-CG2 4.5Å
419V85.1Confident83.9Confident39 Ų3956.6 Ų56.624%0.23629%0.29CS..  trans-94.4123.2178.3-175.60000110.1N406 D411 T417 R421N406-V419 PolarHBondContact ND2-O 2.88Å; D411-V419 VanDerWaalsContact OD1-CB 3.24Å; D411-V419 WeakPolarHBondContact OD1-CB 3.31Å; D411-V419 WeakPolarHBondContact OD1-CG2 2.88Å; D411-V419 PolarHBondContact OD1-N 2.78Å; D411-V419 VanDerWaalsContact OD1-N 3.17Å; T417-V419 PolarHBondContact O-N 2.81Å; T417-V419 VanDerWaalsContact O-N 3.16Å; V419-R421 HydrophobicContact CG1-CG 4.05Å
420V91.2Very high84.2Confident22 Ų2258.6 Ų58.613%0.13330%0.299CS..  trans-117111.5170.5-173.10000109.6F404 V405 N406 L418 W466F404-V420 HydrophobicContact CB-CG1 3.74Å; F404-V420 HydrophobicContact CD1-CG1 4.43Å; V405-V420 CarbonylContact O-C 3.56Å; V405-V420 WeakPolarHBondContact O-CA 3.46Å; N406-V420 HydrophobicContact CB-CG2 4.36Å; L418-V420 HydrophobicContact CD2-CG2 3.37Å; L418-V420 HydrophobicContact CG-CG2 4.5Å; V420-W466 WeakPolarHBondContact CB-O 3Å; V420-W466 HydrophobicContact CG1-CD2 4.17Å; V420-W466 HydrophobicContact CG1-CE3 3.89Å; V420-W466 HydrophobicContact CG1-CH2 3.94Å; V420-W466 HydrophobicContact CG1-CZ2 4.22Å; V420-W466 HydrophobicContact CG1-CZ3 3.75Å; V420-W466 HydrophobicContact CG2-CD2 4.02Å; V420-W466 HydrophobicContact CG2-CG 4.4Å; V420-W466 HydrophobicContact CG2-CH2 4.47Å; V420-W466 HydrophobicContact CG2-CZ2 3.92Å; V420-W466 WeakPolarHBondContact CG2-O 3.28Å
421R92Very high84.7Confident65 Ų6558 Ų5825%0.24530%0.296CS..EExtended strand (participates in β ladder)trans-90.6131.1178.5-57.3-158.8-144.8151.3-2.8111.2F404 V405 L410 V419 I429F404-R421 WeakPolarHBondContact CA-O 3.39Å; V405-R421 PolarHBondContact N-O 2.88Å; V405-R421 PolarHBondContact O-N 2.82Å; L410-R421 VanDerWaalsContact CB-NH2 3.26Å; L410-R421 PolarHBondContact O-NH2 2.84Å; V419-R421 HydrophobicContact CG1-CG 4.05Å; R421-I429 HydrophobicContact CB-CD1 3.89Å; R421-I429 HydrophobicContact CG-CD1 4.3Å
422K95.1Very high85.5Confident70 Ų7056.7 Ų56.730%0.30429%0.289SS..EExtended strand (participates in β ladder)trans-86.2123.8174.3-177-175.5-179.2-165.60109.6P402 F404 M424P402-K422 HydrophobicContact CB-CD 4.42Å; P402-K422 HydrophobicContact CB-CG 3.93Å; F404-K422 HydrophobicContact CD1-CB 4.02Å; F404-K422 HydrophobicContact CD1-CG 4.15Å; F404-K422 HydrophobicContact CE1-CB 3.86Å; F404-K422 HydrophobicContact CE1-CD 3.97Å; F404-K422 HydrophobicContact CE1-CG 3.61Å; F404-K422 HydrophobicContact CZ-CD 4.28Å; F404-K422 HydrophobicContact CZ-CG 4.03Å; K422-M424 HydrophobicContact CD-SD 4.27Å; K422-M424 VanDerWaalsContact CE-SD 3.53Å; K422-M424 HydrophobicContact CG-SD 4.45Å
423V96.7Very high86.7Confident0 Ų051.2 Ų51.20%026%0.262CS..EExtended strand (participates in β ladder)trans-114.2115.7-179.4-173.90000109N397 P402 I403 V405 I429N397-V423 HydrophobicContact CB-CG1 4.22Å; N397-V423 PolarHBondContact ND2-O 2.79Å; N397-V423 VanDerWaalsContact ND2-O 3.08Å; P402-V423 VanDerWaalsContact CA-O 3.3Å; P402-V423 WeakPolarHBondContact CA-O 3.38Å; I403-V423 HydrophobicContact CD1-CB 4.25Å; I403-V423 HydrophobicContact CG1-CB 3.66Å; I403-V423 HydrophobicContact CG1-CG1 4.33Å; I403-V423 HydrophobicContact CG1-CG2 4.26Å; I403-V423 PolarHBondContact N-O 2.9Å; I403-V423 PolarHBondContact O-N 3.39Å; V405-V423 HydrophobicContact CG2-CG2 3.99Å; V423-I429 HydrophobicContact CG1-CG2 4.27Å; V423-I429 HydrophobicContact CG2-CB 4.02Å; V423-I429 HydrophobicContact CG2-CD1 4.13Å; V423-I429 HydrophobicContact CG2-CG2 3.52Å
424M96.7Very high88.1Confident81 Ų8148.8 Ų48.840%0.39924%0.242SC..  trans-74.3159.5-177-64.5-59.6-7000112.3N397 P402 K422 G426 Y427N397-M424 PolarHBondContact ND2-O 3.27Å; P402-M424 HydrophobicContact CB-SD 4.19Å; K422-M424 HydrophobicContact CD-SD 4.27Å; K422-M424 VanDerWaalsContact CE-SD 3.53Å; K422-M424 HydrophobicContact CG-SD 4.45Å; M424-G426 PolarHBondContact O-N 2.73Å; M424-Y427 HydrophobicContact CB-CD2 3.64Å; M424-Y427 HydrophobicContact CB-CE2 3.88Å; M424-Y427 HydrophobicContact CB-CG 4.26Å; M424-Y427 WeakPolarHBondContact O-CB 3.22Å; M424-Y427 PolarHBondContact O-N 2.9Å
425P96.5Very high89.5Confident42 Ų4248 Ų4827%0.27323%0.233SC..THydrogen-bonded Turntrans-49.5131171.2-32.439.7000112.9S399 E400 Y427S399-P425 WeakPolarHBondContact O-CB 3.5Å; S399-P425 WeakPolarHBondContact O-CG 3.49Å; E400-P425 WeakPolarHBondContact O-CG 3.33Å; P425-Y427 VanDerWaalsContact C-N 3.28Å; P425-Y427 WeakPolarHBondContact O-CD2 3.3Å; P425-Y427 PolarHBondContact O-N 3.05Å
426G96Very high90.5Very high6 Ų651.4 Ų51.46%0.06224%0.238CC..THydrogen-bonded Turntrans81.2-0.7-178.300000115.2W226 R261 Y396 N397 M424W226-G426 VanDerWaalsContact CZ2-O 3.27Å; W226-G426 WeakPolarHBondContact CZ2-O 3.24Å; R261-G426 PolarHBondContact N-O 2.93Å; Y396-G426 WeakPolarHBondContact CE2-O 3.28Å; N397-G426 WeakPolarHBondContact O-CA 3.09Å; N397-G426 PolarHBondContact O-N 3.18Å; M424-G426 PolarHBondContact O-N 2.73Å
427Y97.4Very high91.6Very high47 Ų4743 Ų4318%0.18421%0.208CC..EExtended strand (participates in β ladder)trans-95.7152.1177.3-71.6-116.3000112R261 N397 M424 P425R261-Y427 HydrophobicContact CB-CD1 3.89Å; R261-Y427 HydrophobicContact CB-CD2 4.26Å; R261-Y427 HydrophobicContact CB-CE1 3.97Å; R261-Y427 HydrophobicContact CB-CE2 4.3Å; R261-Y427 HydrophobicContact CB-CG 4.07Å; R261-Y427 VanDerWaalsContact CD-CZ 3.47Å; R261-Y427 WeakPolarHBondContact CD-OH 3.19Å; R261-Y427 HydrophobicContact CG-CD1 3.94Å; R261-Y427 HydrophobicContact CG-CE1 3.59Å; R261-Y427 VanDerWaalsContact CZ-OH 3.27Å; R261-Y427 PolarHBondContact NE-OH 3.17Å; R261-Y427 PolarHBondContact NH1-OH 2.99Å; R261-Y427 CarbonylContact O-C 3.23Å; R261-Y427 WeakPolarHBondContact O-CA 3.37Å; R261-Y427 WeakPolarHBondContact O-CB 3.5Å; N397-Y427 PolarHBondContact N-O 2.84Å; M424-Y427 HydrophobicContact CB-CD2 3.64Å; M424-Y427 HydrophobicContact CB-CE2 3.88Å; M424-Y427 HydrophobicContact CB-CG 4.26Å; M424-Y427 WeakPolarHBondContact O-CB 3.22Å; M424-Y427 PolarHBondContact O-N 2.9Å; P425-Y427 VanDerWaalsContact C-N 3.28Å; P425-Y427 WeakPolarHBondContact O-CD2 3.3Å; P425-Y427 PolarHBondContact O-N 3.05Å
428S97.4Very high92.4Very high2 Ų240.8 Ų40.81%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-116.9145.9171.4-69.80000111.2S260 R261 C263 A395 Y396S260-S428 WeakPolarHBondContact CB-OG 3.48Å; S260-S428 WeakPolarHBondContact OG-CB 3.3Å; S260-S428 PolarHBondContact OG-OG 2.86Å; R261-S428 PolarHBondContact O-N 3.45Å; C263-S428 WeakPolarHBondContact CB-O 3.45Å; C263-S428 PolarHBondContact N-O 3.47Å; A395-S428 VanDerWaalsContact O-CA 3.29Å; A395-S428 WeakPolarHBondContact O-CA 3.13Å; Y396-S428 WeakPolarHBondContact CB-OG 3.39Å; Y396-S428 WeakPolarHBondContact CD2-OG 3.41Å
429I96.3Very high92.6Very high4 Ų442.7 Ų42.72%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-131.2139.9173.6180163.9000109C263 W394 A395 V405 L410 R421 V423 V431C263-I429 HydrophobicContact CB-CB 4.13Å; W394-I429 WeakPolarHBondContact CA-O 3.26Å; A395-I429 HydrophobicContact CB-CG2 4.37Å; A395-I429 PolarHBondContact N-O 2.77Å; A395-I429 PolarHBondContact O-N 3.16Å; V405-I429 HydrophobicContact CG2-CG2 4.29Å; L410-I429 HydrophobicContact CD1-CD1 4.27Å; R421-I429 HydrophobicContact CB-CD1 3.89Å; R421-I429 HydrophobicContact CG-CD1 4.3Å; V423-I429 HydrophobicContact CG1-CG2 4.27Å; V423-I429 HydrophobicContact CG2-CB 4.02Å; V423-I429 HydrophobicContact CG2-CD1 4.13Å; V423-I429 HydrophobicContact CG2-CG2 3.52Å; I429-V431 HydrophobicContact CG2-CG1 3.63Å; I429-V431 PolarHBondContact O-N 2.86Å; I429-V431 VanDerWaalsContact O-N 3.16Å
430K95.6Very high92.1Very high42 Ų4243.4 Ų43.418%0.18321%0.207CC..EExtended strand (participates in β ladder)trans-73.8102.1165.7-172.8-174.1-65.6-164.90106.9D391 V393 W394 L410 D433D391-K430 VanDerWaalsContact CG-NZ 3.33Å; D391-K430 PolarHBondContact O-NZ 3.15Å; D391-K430 VanDerWaalsContact O-NZ 3.09Å; D391-K430 WeakPolarHBondContact OD2-CE 3.45Å; D391-K430 IonicContact OD2-NZ 3.14Å; D391-K430 PolarHBondContact OD2-NZ 2.89Å; V393-K430 CarbonylContact O-C 3.35Å; W394-K430 HydrophobicContact CD2-CB 3.83Å; W394-K430 HydrophobicContact CD2-CG 4.3Å; W394-K430 HydrophobicContact CE3-CB 3.98Å; W394-K430 HydrophobicContact CH2-CB 3.91Å; W394-K430 HydrophobicContact CZ2-CB 3.77Å; W394-K430 HydrophobicContact CZ2-CD 4.43Å; W394-K430 VanDerWaalsContact CZ2-CE 3.44Å; W394-K430 HydrophobicContact CZ2-CG 4.23Å; W394-K430 HydrophobicContact CZ3-CB 4.01Å; L410-K430 WeakPolarHBondContact CD2-O 3.5Å; K430-D433 HydrophobicContact CD-CB 3.7Å; K430-D433 VanDerWaalsContact CD-OD2 3.31Å; K430-D433 WeakPolarHBondContact CD-OD2 3.29Å; K430-D433 IonicContact NZ-OD2 3.28Å; K430-D433 PolarHBondContact NZ-OD2 3.36Å
431V95.5Very high91.3Very high0 Ų047.8 Ų47.80%022%0.222CC..EExtended strand (participates in β ladder)trans-80.7-24.2-175.8-59.40000112.2L386 V393 A395 V405 S407 I429 V458L386-V431 HydrophobicContact CD1-CG2 4.29Å; V393-V431 HydrophobicContact CB-CG2 4.06Å; V393-V431 HydrophobicContact CG1-CG2 3.82Å; V393-V431 VanDerWaalsContact O-CG2 3.32Å; V393-V431 WeakPolarHBondContact O-CG2 3.4Å; V393-V431 PolarHBondContact O-N 2.75Å; A395-V431 HydrophobicContact CB-CG1 3.47Å; A395-V431 VanDerWaalsContact CB-CG1 3.47Å; V405-V431 HydrophobicContact CG1-CB 4.16Å; V405-V431 HydrophobicContact CG1-CG1 3.77Å; V405-V431 HydrophobicContact CG2-CG1 4.46Å; S407-V431 WeakPolarHBondContact CB-O 3.42Å; S407-V431 PolarHBondContact OG-O 3.48Å; I429-V431 HydrophobicContact CG2-CG1 3.63Å; I429-V431 PolarHBondContact O-N 2.86Å; I429-V431 VanDerWaalsContact O-N 3.16Å; V431-V458 HydrophobicContact CB-CG1 3.89Å; V431-V458 HydrophobicContact CG2-CG1 4.09Å
432F94.8Very high90Very high0 Ų052.8 Ų52.80%025%0.247CC..EExtended strand (participates in β ladder)trans-140.1122.5174-162.3-95.5000110.2G392 V393 P408 T409 Y434 S437 P455 V458 L486G392-F432 CarbonylContact C-O 3.48Å; G392-F432 WeakPolarHBondContact CA-O 3.32Å; V393-F432 HydrophobicContact CB-CB 3.93Å; V393-F432 HydrophobicContact CG2-CB 4.17Å; V393-F432 PolarHBondContact N-O 2.82Å; V393-F432 PolarHBondContact O-N 2.92Å; V393-F432 VanDerWaalsContact O-N 3.08Å; P408-F432 HydrophobicContact CB-CE2 4.5Å; T409-F432 HydrophobicContact CG2-CD1 4.39Å; T409-F432 HydrophobicContact CG2-CD2 3.81Å; T409-F432 HydrophobicContact CG2-CE1 4.32Å; T409-F432 HydrophobicContact CG2-CE2 3.73Å; T409-F432 HydrophobicContact CG2-CG 4.16Å; T409-F432 HydrophobicContact CG2-CZ 4.01Å; T409-F432 VanDerWaalsContact OG1-CA 3.28Å; T409-F432 WeakPolarHBondContact OG1-CA 3.47Å; F432-Y434 AromaticContact CD1-CD1 3.82Å; F432-Y434 HydrophobicContact CD1-CD1 3.82Å; F432-Y434 AromaticContact CD1-CE1 3.95Å; F432-Y434 HydrophobicContact CD1-CE1 3.95Å; F432-Y434 HydrophobicContact CE1-CD1 4.06Å; F432-Y434 HydrophobicContact CE1-CE1 4.37Å; F432-S437 VanDerWaalsContact CZ-OG 3.31Å; F432-S437 WeakPolarHBondContact CZ-OG 3.12Å; F432-P455 WeakPolarHBondContact CE2-O 3.31Å; F432-V458 HydrophobicContact CB-CG2 4.19Å; F432-V458 HydrophobicContact CD2-CG2 3.96Å; F432-L486 HydrophobicContact CB-CD1 3.65Å; F432-L486 HydrophobicContact CD1-CD1 3.56Å; F432-L486 HydrophobicContact CD2-CD1 3.39Å; F432-L486 HydrophobicContact CE1-CD1 3.96Å; F432-L486 HydrophobicContact CE2-CD1 3.8Å; F432-L486 HydrophobicContact CG-CD1 3.24Å; F432-L486 HydrophobicContact CZ-CD1 4.05Å
433D93.3Very high88.3Confident14 Ų1453.2 Ų53.28%0.07526%0.259CS..EExtended strand (participates in β ladder)trans-104117.3-178.6-170.8-54.3000110.4T409 K430 E435 R436 S437T409-D433 WeakPolarHBondContact CG2-O 3.26Å; T409-D433 PolarHBondContact OG1-N 2.88Å; K430-D433 HydrophobicContact CD-CB 3.7Å; K430-D433 VanDerWaalsContact CD-OD2 3.31Å; K430-D433 WeakPolarHBondContact CD-OD2 3.29Å; K430-D433 IonicContact NZ-OD2 3.28Å; K430-D433 PolarHBondContact NZ-OD2 3.36Å; D433-E435 VanDerWaalsContact C-N 3.32Å; D433-E435 PolarHBondContact O-N 3.09Å; D433-E435 WeakPolarHBondContact OD1-CB 3.5Å; D433-E435 PolarHBondContact OD1-N 3.44Å; D433-R436 HydrophobicContact CB-CB 4.05Å; D433-R436 HydrophobicContact CB-CG 4.15Å; D433-R436 PolarHBondContact O-N 2.8Å; D433-R436 PolarHBondContact OD1-N 2.89Å; D433-R436 VanDerWaalsContact OD1-N 3.09Å; D433-R436 IonicContact OD2-NH1 2.76Å; D433-R436 PolarHBondContact OD2-NH1 3.11Å; D433-R436 VanDerWaalsContact OD2-NH1 3.14Å; D433-S437 WeakPolarHBondContact O-CB 2.95Å; D433-S437 PolarHBondContact O-N 3.29Å
434Y92.1Very high86.4Confident38 Ų3859 Ų5915%0.14929%0.286CS..Hα-helixtrans-66.1-33.8-175.3-66.9-29.6000113.2K388 E389 V393 F432 C438K388-Y434 WeakPolarHBondContact CE-OH 3.42Å; K388-Y434 VanDerWaalsContact CG-OH 3.26Å; K388-Y434 WeakPolarHBondContact CG-OH 3.49Å; E389-Y434 WeakPolarHBondContact O-CE2 3.26Å; V393-Y434 HydrophobicContact CG2-CE1 4.23Å; F432-Y434 AromaticContact CD1-CD1 3.82Å; F432-Y434 HydrophobicContact CD1-CD1 3.82Å; F432-Y434 AromaticContact CD1-CE1 3.95Å; F432-Y434 HydrophobicContact CD1-CE1 3.95Å; F432-Y434 HydrophobicContact CE1-CD1 4.06Å; F432-Y434 HydrophobicContact CE1-CE1 4.37Å; Y434-C438 PolarHBondContact O-N 3.41Å; Y434-C438 VanDerWaalsContact O-N 3.13Å; Y434-C438 PolarHBondContact O-SG 3.5Å
435E89.8Confident84.2Confident144 Ų14461.3 Ų61.367%0.67330%0.3SS*.Hα-helixtrans-71.3-47.8178.6-173.2178.6-176.900110.1D433 S437 C438 L439D433-E435 VanDerWaalsContact C-N 3.32Å; D433-E435 PolarHBondContact O-N 3.09Å; D433-E435 WeakPolarHBondContact OD1-CB 3.5Å; D433-E435 PolarHBondContact OD1-N 3.44Å; E435-S437 VanDerWaalsContact C-N 3.32Å; E435-S437 PolarHBondContact O-N 2.92Å; E435-C438 WeakPolarHBondContact O-CB 3.4Å; E435-C438 PolarHBondContact O-N 3.41Å; E435-L439 WeakPolarHBondContact O-CG 3.07Å; E435-L439 PolarHBondContact O-N 3.23Å
436R87.5Confident82Confident119 Ų11964.3 Ų64.345%0.44932%0.322SS..Hα-helixtrans-60.9-41175.6-68.9-165.9177.190.90.8112.5T409 D433 C438 L439 M440T409-R436 HydrophobicContact CG2-CB 4.4Å; T409-R436 VanDerWaalsContact O-CD 3.31Å; T409-R436 WeakPolarHBondContact O-CD 3.15Å; D433-R436 HydrophobicContact CB-CB 4.05Å; D433-R436 HydrophobicContact CB-CG 4.15Å; D433-R436 PolarHBondContact O-N 2.8Å; D433-R436 PolarHBondContact OD1-N 2.89Å; D433-R436 VanDerWaalsContact OD1-N 3.09Å; D433-R436 IonicContact OD2-NH1 2.76Å; D433-R436 PolarHBondContact OD2-NH1 3.11Å; D433-R436 VanDerWaalsContact OD2-NH1 3.14Å; R436-C438 VanDerWaalsContact C-N 3.31Å; R436-C438 PolarHBondContact O-N 2.84Å; R436-L439 PolarHBondContact O-N 2.86Å; R436-M440 VanDerWaalsContact O-CG 3.32Å; R436-M440 WeakPolarHBondContact O-CG 3.45Å; R436-M440 PolarHBondContact O-N 3.25Å
437S87.6Confident79.9Confident10 Ų1070.3 Ų70.37%0.0735%0.353CS..Hα-helixtrans-60.1-42.3176.9-1770000111.6F432 D433 E435 R441F432-S437 VanDerWaalsContact CZ-OG 3.31Å; F432-S437 WeakPolarHBondContact CZ-OG 3.12Å; D433-S437 WeakPolarHBondContact O-CB 2.95Å; D433-S437 PolarHBondContact O-N 3.29Å; E435-S437 VanDerWaalsContact C-N 3.32Å; E435-S437 PolarHBondContact O-N 2.92Å; S437-R441 WeakPolarHBondContact O-CG 3.46Å; S437-R441 PolarHBondContact O-N 2.59Å
438C84.6Confident77.7Confident40 Ų4074 Ų7427%0.2737%0.37SS..Hα-helixtrans-59.6-50.5173.2-72.60000111.1Y434 E435 R436 M440 R441 H442Y434-C438 PolarHBondContact O-N 3.41Å; Y434-C438 VanDerWaalsContact O-N 3.13Å; Y434-C438 PolarHBondContact O-SG 3.5Å; E435-C438 WeakPolarHBondContact O-CB 3.4Å; E435-C438 PolarHBondContact O-N 3.41Å; R436-C438 VanDerWaalsContact C-N 3.31Å; R436-C438 PolarHBondContact O-N 2.84Å; C438-M440 VanDerWaalsContact C-N 3.34Å; C438-M440 PolarHBondContact O-N 3.28Å; C438-R441 PolarHBondContact O-N 2.91Å; C438-H442 PolarHBondContact O-N 3.09Å; C438-H442 PolarHBondContact O-ND1 2.86Å
439L82.4Confident75.7Confident112 Ų11278.8 Ų78.859%0.58640%0.395SS*.Hα-helixtrans-59.4-42.7-178.7-66.4171.4000112.5E435 R436 R441 H442 S443E435-L439 WeakPolarHBondContact O-CG 3.07Å; E435-L439 PolarHBondContact O-N 3.23Å; R436-L439 PolarHBondContact O-N 2.86Å; L439-R441 VanDerWaalsContact C-N 3.33Å; L439-R441 PolarHBondContact O-N 2.93Å; L439-H442 PolarHBondContact O-N 3.41Å; L439-S443 PolarHBondContact O-N 3.14Å
440M76.3Confident73.3Confident53 Ų5387.1 Ų87.126%0.26144%0.439SS..Hα-helixtrans-64.6-35.7179.1-71172.5175.500112.6P408 R436 C438 H442 S443P408-M440 WeakPolarHBondContact O-CE 3.39Å; R436-M440 VanDerWaalsContact O-CG 3.32Å; R436-M440 WeakPolarHBondContact O-CG 3.45Å; R436-M440 PolarHBondContact O-N 3.25Å; C438-M440 VanDerWaalsContact C-N 3.34Å; C438-M440 PolarHBondContact O-N 3.28Å; M440-H442 VanDerWaalsContact C-N 3.28Å; M440-H442 PolarHBondContact O-N 3.21Å; M440-S443 PolarHBondContact O-N 3.22Å
441R73Confident71.5Confident115 Ų11587.3 Ų87.343%0.43445%0.453SS..Hα-helixtrans-66.2-29.3175.3-72.5178.3-175.8-172.4-0.7113.2S437 C438 L439 S443 N456 N488S437-R441 WeakPolarHBondContact O-CG 3.46Å; S437-R441 PolarHBondContact O-N 2.59Å; C438-R441 PolarHBondContact O-N 2.91Å; L439-R441 VanDerWaalsContact C-N 3.33Å; L439-R441 PolarHBondContact O-N 2.93Å; R441-S443 VanDerWaalsContact C-N 3.33Å; R441-N456 PolarHBondContact NH2-OD1 2.76Å; R441-N488 PolarHBondContact NH2-ND2 3.46Å; R441-N488 VanDerWaalsContact NH2-ND2 3.2Å
442H64.9Low69.9Low169 Ų16993.9 Ų93.978%0.78250%0.496SS*.Hα-helixtrans-85.8-7.2178.4-65.380.1000112.9C438 L439 M440C438-H442 PolarHBondContact O-N 3.09Å; C438-H442 PolarHBondContact O-ND1 2.86Å; L439-H442 PolarHBondContact O-N 3.41Å; M440-H442 VanDerWaalsContact C-N 3.28Å; M440-H442 PolarHBondContact O-N 3.21Å
443S60.5Low68.8Low79 Ų7998.3 Ų98.355%0.55251%0.513SS*.SBendtrans-110.35.8-174.7-173.80000113.7L439 M440 R441 D445L439-S443 PolarHBondContact O-N 3.14Å; M440-S443 PolarHBondContact O-N 3.22Å; R441-S443 VanDerWaalsContact C-N 3.33Å; S443-D445 PolarHBondContact O-N 2.98Å
444Q57Low68.2Low122 Ų122100.7 Ų100.757%0.5753%0.526SS*.  trans-71.994.8-177.3-82.1-173.4-2200111.8
445D50.2Low67.9Low130 Ų130100.9 Ų100.970%0.69553%0.532SS*.  trans-71.7122141.2-79.1-31.7000107.4S443 D447 F448S443-D445 PolarHBondContact O-N 2.98Å; D445-D447 PolarHBondContact O-N 3.41Å; D445-F448 HydrophobicContact CB-CD2 4.43Å; D445-F448 HydrophobicContact CB-CE2 4.41Å
446S50.3Low67.9Low105 Ų10595.8 Ų95.873%0.73451%0.509SS*.G310 helixtrans-64-8.9-171.8480000115.4F448S446-F448 PolarHBondContact O-N 3.09Å
447D50.4Low68.1Low131 Ų13190.3 Ų90.370%0.70149%0.489SS*.G310 helixtrans-96.35.2-156.7-62.7-8.4000114.2D445D445-D447 PolarHBondContact O-N 3.41Å
448F52.5Low68.5Low126 Ų12689.9 Ų89.955%0.55349%0.486SS*.G310 helixtrans-112.8-1.3-170.5-68.9-93.9000116D445 S446D445-F448 HydrophobicContact CB-CD2 4.43Å; D445-F448 HydrophobicContact CB-CE2 4.41Å; S446-F448 PolarHBondContact O-N 3.09Å
449L54.2Low69.1Low102 Ų10291.5 Ų91.553%0.53449%0.486SS..  trans-108.698-177-64.8173.3000111.1G451 Y453L449-G451 PolarHBondContact O-N 2.91Å; L449-Y453 HydrophobicContact CD1-CD1 3.86Å; L449-Y453 HydrophobicContact CD1-CE1 4.45Å; L449-Y453 HydrophobicContact CD1-CG 4.38Å; L449-Y453 HydrophobicContact CD2-CD1 4.49Å; L449-Y453 HydrophobicContact CD2-CG 4.45Å
450D47.4Very low69.9Low179 Ų17986.1 Ų86.196%0.95746%0.459SS*.  trans-80.1104.5172.3-159.38.6000109.2
451G57.6Low70.9Confident46 Ų4683.6 Ų83.647%0.47445%0.446SS..SBendtrans105.2171.8176.200000116.6L449 Y453L449-G451 PolarHBondContact O-N 2.91Å; G451-Y453 PolarHBondContact O-N 3.45Å
452P60.9Low72.2Confident137 Ų13778.2 Ų78.289%0.8943%0.426SS*.  trans-70.3105.3-17727.7-33.2000111.2
453Y71.8Confident73.7Confident94 Ų9471 Ų7137%0.36940%0.395SS..  trans-109.4123.3176.2173.5-100.8000110.2P408 L449 G451 P455P408-Y453 WeakPolarHBondContact CA-OH 3.44Å; P408-Y453 WeakPolarHBondContact CB-OH 3.09Å; P408-Y453 HydrophobicContact CG-CE2 4.24Å; P408-Y453 WeakPolarHBondContact CG-OH 3.33Å; L449-Y453 HydrophobicContact CD1-CD1 3.86Å; L449-Y453 HydrophobicContact CD1-CE1 4.45Å; L449-Y453 HydrophobicContact CD1-CG 4.38Å; L449-Y453 HydrophobicContact CD2-CD1 4.49Å; L449-Y453 HydrophobicContact CD2-CG 4.45Å; G451-Y453 PolarHBondContact O-N 3.45Å; Y453-P455 HydrophobicContact CD1-CB 4.49Å; Y453-P455 HydrophobicContact CE1-CB 3.96Å; Y453-P455 WeakPolarHBondContact O-CD 3.04Å
454D81.8Confident75.4Confident63 Ų6371.2 Ų71.234%0.33739%0.386SS..  trans-97.1109.9173.3-177.6-5.3000110N456 S457D454-N456 PolarHBondContact O-N 3.09Å; D454-N456 VanDerWaalsContact O-N 3.09Å; D454-N456 PolarHBondContact OD1-N 3.17Å; D454-S457 PolarHBondContact O-N 3Å
455P84.8Confident77.2Confident43 Ų4365.8 Ų65.828%0.27936%0.363SS..THydrogen-bonded Turntrans-68.7-5.6-178.929.7-35.7000113.8F432 Y453F432-P455 WeakPolarHBondContact CE2-O 3.31Å; Y453-P455 HydrophobicContact CD1-CB 4.49Å; Y453-P455 HydrophobicContact CE1-CB 3.96Å; Y453-P455 WeakPolarHBondContact O-CD 3.04Å
456N89.4Confident79.3Confident36 Ų3659.7 Ų59.719%0.19333%0.33CS..THydrogen-bonded Turntrans-116.311.1179.7-45.6-69.2000112.5R441 D454 L486 N488R441-N456 PolarHBondContact NH2-OD1 2.76Å; D454-N456 PolarHBondContact O-N 3.09Å; D454-N456 VanDerWaalsContact O-N 3.09Å; D454-N456 PolarHBondContact OD1-N 3.17Å; N456-L486 HydrophobicContact CB-CB 4.29Å; N456-L486 WeakPolarHBondContact O-CB 3Å; N456-L486 WeakPolarHBondContact O-CG 3.49Å; N456-L486 PolarHBondContact O-N 2.87Å; N456-N488 PolarHBondContact OD1-ND2 3.2Å
457S92.9Very high81.3Confident5 Ų554.8 Ų54.84%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-102.5125.9179-178.60000111.8P408 D454 E483 I484P408-S457 WeakPolarHBondContact CD-O 3.25Å; D454-S457 PolarHBondContact O-N 3Å; S457-E483 VanDerWaalsContact OG-CG 3.26Å; S457-E483 WeakPolarHBondContact OG-CG 3.38Å; S457-E483 PolarHBondContact OG-OE1 3.34Å; S457-I484 WeakPolarHBondContact CA-O 3.39Å
458V96Very high82.9Confident0 Ų052.2 Ų52.20%029%0.287CS..EExtended strand (participates in β ladder)trans-108.3134.8172.4174.40000108.9V405 V431 F432 I460 I484 L486V405-V458 HydrophobicContact CG1-CG1 4.28Å; V431-V458 HydrophobicContact CB-CG1 3.89Å; V431-V458 HydrophobicContact CG2-CG1 4.09Å; F432-V458 HydrophobicContact CB-CG2 4.19Å; F432-V458 HydrophobicContact CD2-CG2 3.96Å; V458-I460 HydrophobicContact CG1-CD1 4.46Å; V458-I460 HydrophobicContact CG1-CG1 4.19Å; V458-I484 HydrophobicContact CB-CB 4.18Å; V458-I484 HydrophobicContact CB-CD1 4.49Å; V458-I484 HydrophobicContact CG1-CD1 4.27Å; V458-I484 PolarHBondContact N-O 3.22Å; V458-I484 PolarHBondContact O-N 3.42Å; V458-L486 HydrophobicContact CG2-CD1 4.15Å
459R97.3Very high84.5Confident74 Ų7448.7 Ų48.728%0.27928%0.277SS..EExtended strand (participates in β ladder)trans-118.8129-176.6-65.7180-179149.6-0.4111.5V405 N406 W466 I475 W481 L482 E483V405-R459 WeakPolarHBondContact CA-O 3.46Å; N406-R459 PolarHBondContact N-O 3.46Å; N406-R459 PolarHBondContact O-N 3.34Å; R459-W466 HydrophobicContact CB-CZ2 4.47Å; R459-I475 HydrophobicContact CB-CD1 3.52Å; R459-I475 HydrophobicContact CG-CD1 4.21Å; R459-W481 HydrophobicContact CG-CZ3 4.45Å; R459-L482 WeakPolarHBondContact CA-O 3.41Å; R459-E483 HydrophobicContact CG-CG 4.45Å; R459-E483 IonicContact NE-OE1 3.82Å; R459-E483 IonicContact NH2-OE1 2.76Å
460I98.4Very high86.1Confident0 Ų044.7 Ų44.70%026%0.255CS..EExtended strand (participates in β ladder)trans-130.6120.6-176.5-54.2-174.7000110.5I384 A395 I403 F404 V405 V458 W481 L482 I484I384-I460 HydrophobicContact CD1-CD1 4Å; A395-I460 HydrophobicContact CB-CD1 4.19Å; I403-I460 HydrophobicContact CB-CG2 4.11Å; I403-I460 HydrophobicContact CD1-CG2 4.14Å; I403-I460 HydrophobicContact CG1-CG2 4.49Å; F404-I460 CarbonylContact O-C 3.57Å; F404-I460 VanDerWaalsContact O-CA 3.29Å; F404-I460 WeakPolarHBondContact O-CA 3.16Å; V405-I460 HydrophobicContact CG1-CG1 4.25Å; V405-I460 HydrophobicContact CG2-CD1 4.37Å; V405-I460 HydrophobicContact CG2-CG1 4.12Å; V405-I460 HydrophobicContact CG2-CG2 4.27Å; V458-I460 HydrophobicContact CG1-CD1 4.46Å; V458-I460 HydrophobicContact CG1-CG1 4.19Å; I460-W481 CarbonylContact O-C 3.54Å; I460-W481 WeakPolarHBondContact O-CA 3.43Å; I460-W481 WeakPolarHBondContact O-CB 3.32Å; I460-L482 HydrophobicContact CB-CB 4.46Å; I460-L482 PolarHBondContact N-O 3.18Å; I460-L482 PolarHBondContact O-N 3.16Å; I460-I484 HydrophobicContact CD1-CD1 3.65Å; I460-I484 HydrophobicContact CG1-CD1 4.2Å
461S98.5Very high88.2Confident0 Ų041.9 Ų41.90%025%0.249CC..EExtended strand (participates in β ladder)trans-102.1139.6173.4178.90000111.7I403 F404 K464 W466 C478I403-S461 WeakPolarHBondContact CA-O 3.3Å; F404-S461 PolarHBondContact N-O 3.07Å; F404-S461 PolarHBondContact O-N 3.17Å; S461-K464 VanDerWaalsContact CB-O 3.25Å; S461-K464 WeakPolarHBondContact CB-O 3.08Å; S461-K464 PolarHBondContact OG-O 2.93Å; S461-W466 VanDerWaalsContact CB-CZ3 3.43Å; S461-C478 VanDerWaalsContact OG-CB 3.3Å; S461-C478 WeakPolarHBondContact OG-CB 3.45Å; S461-C478 PolarHBondContact OG-SG 3.39Å; S461-C478 VanDerWaalsContact OG-SG 3.38Å
462F98.5Very high89.9Confident1 Ų143.2 Ų43.20%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-90131176.6-65.6-77.8000111.5L361 T376 I380 I384 I403 K464 C480 L482L361-F462 HydrophobicContact CD1-CE2 3.88Å; L361-F462 HydrophobicContact CD1-CZ 4.19Å; T376-F462 WeakPolarHBondContact CG2-O 3.2Å; I380-F462 HydrophobicContact CB-CD1 4.47Å; I380-F462 HydrophobicContact CD1-CD2 3.88Å; I380-F462 HydrophobicContact CD1-CE2 4.19Å; I380-F462 HydrophobicContact CD1-CG 4.14Å; I380-F462 HydrophobicContact CG1-CB 3.91Å; I380-F462 HydrophobicContact CG1-CD1 4.04Å; I380-F462 HydrophobicContact CG1-CD2 4.03Å; I380-F462 HydrophobicContact CG1-CG 3.74Å; I380-F462 HydrophobicContact CG2-CD1 4.14Å; I380-F462 HydrophobicContact CG2-CE1 3.92Å; I380-F462 HydrophobicContact CG2-CZ 4.16Å; I384-F462 HydrophobicContact CG2-CE1 4.19Å; I403-F462 HydrophobicContact CG2-CD1 3.85Å; I403-F462 HydrophobicContact CG2-CE1 4.29Å; F462-K464 PolarHBondContact O-N 3.44Å; F462-C480 HydrophobicContact CD2-CB 4.39Å; F462-C480 PolarHBondContact N-O 3.26Å; F462-L482 HydrophobicContact CE2-CD1 3.75Å; F462-L482 HydrophobicContact CE2-CD2 4.3Å; F462-L482 HydrophobicContact CE2-CG 3.7Å; F462-L482 HydrophobicContact CZ-CD1 3.62Å; F462-L482 HydrophobicContact CZ-CG 4.13Å
463A97.3Very high91.4Very high17 Ų1741.3 Ų41.314%0.1422%0.219CC..SBendtrans59.5-15.2173.900000117.3T376 K379 H401 P402T376-A463 HydrophobicContact CG2-CB 4.26Å; K379-A463 HydrophobicContact CB-CB 4.12Å; K379-A463 HydrophobicContact CD-CB 3.99Å; H401-A463 HydrophobicContact CB-CB 4.11Å; P402-A463 WeakPolarHBondContact O-CA 3.37Å; P402-A463 PolarHBondContact O-N 3.21Å
464K96.7Very high92.4Very high84 Ų8443.4 Ų43.437%0.36523%0.23SC..  trans-127.4122.2-176.4-61.1-60.8179.2-175.80110.7F404 S461 F462 P479F404-K464 WeakPolarHBondContact CD2-O 3.38Å; F404-K464 VanDerWaalsContact CE2-C 3.43Å; S461-K464 VanDerWaalsContact CB-O 3.25Å; S461-K464 WeakPolarHBondContact CB-O 3.08Å; S461-K464 PolarHBondContact OG-O 2.93Å; F462-K464 PolarHBondContact O-N 3.44Å; K464-P479 HydrophobicContact CG-CG 4.24Å
465G94.7Very high93Very high8 Ų841 Ų418%0.08222%0.217CC..  trans-82.5162.517400000112.7F404F404-G465 VanDerWaalsContact CD2-N 3.33Å; F404-G465 VanDerWaalsContact CE2-N 3.28Å
466W94.7Very high93.6Very high3 Ų340.9 Ų40.91%0.01122%0.216CC..  trans-144.4170.2173.779.197.5000110.5F404 N406 V420 R459 S461 Y470 R472 I475F404-W466 HydrophobicContact CB-CE3 4.03Å; F404-W466 HydrophobicContact CB-CZ3 3.6Å; F404-W466 WeakPolarHBondContact O-CH2 3.34Å; F404-W466 VanDerWaalsContact O-CZ3 3.26Å; F404-W466 WeakPolarHBondContact O-CZ3 3.31Å; N406-W466 HydrophobicContact CB-CH2 3.91Å; N406-W466 HydrophobicContact CB-CZ2 3.38Å; V420-W466 WeakPolarHBondContact CB-O 3Å; V420-W466 HydrophobicContact CG1-CD2 4.17Å; V420-W466 HydrophobicContact CG1-CE3 3.89Å; V420-W466 HydrophobicContact CG1-CH2 3.94Å; V420-W466 HydrophobicContact CG1-CZ2 4.22Å; V420-W466 HydrophobicContact CG1-CZ3 3.75Å; V420-W466 HydrophobicContact CG2-CD2 4.02Å; V420-W466 HydrophobicContact CG2-CG 4.4Å; V420-W466 HydrophobicContact CG2-CH2 4.47Å; V420-W466 HydrophobicContact CG2-CZ2 3.92Å; V420-W466 WeakPolarHBondContact CG2-O 3.28Å; R459-W466 HydrophobicContact CB-CZ2 4.47Å; S461-W466 VanDerWaalsContact CB-CZ3 3.43Å; W466-Y470 VanDerWaalsContact C-CD2 3.41Å; W466-Y470 WeakPolarHBondContact O-CD2 3.4Å; W466-Y470 WeakPolarHBondContact O-CE2 3.41Å; W466-R472 CarbonylContact C-O 3.52Å; W466-R472 WeakPolarHBondContact CA-O 3.24Å; W466-R472 HydrophobicContact CB-CB 4.02Å; W466-R472 WeakPolarHBondContact CB-O 3.21Å; W466-I475 HydrophobicContact CD2-CB 4.03Å; W466-I475 HydrophobicContact CD2-CG1 4.1Å; W466-I475 HydrophobicContact CE3-CG1 4.27Å; W466-I475 HydrophobicContact CG-CB 4.21Å; W466-I475 HydrophobicContact CH2-CD1 3.75Å; W466-I475 HydrophobicContact CH2-CG1 4.3Å; W466-I475 HydrophobicContact CZ2-CB 4.18Å; W466-I475 HydrophobicContact CZ2-CD1 3.69Å; W466-I475 HydrophobicContact CZ2-CG1 4.11Å; W466-I475 HydrophobicContact CZ3-CD1 4.19Å; W466-I475 HydrophobicContact CZ3-CG1 4.37Å
467G90.6Very high93.9Very high1 Ų141 Ų411%0.0122%0.219CC..SBendtrans105.6-173.3-179.400000112.4C469 Y470 R472 Q473G467-C469 PolarHBondContact O-N 3.19Å; G467-C469 VanDerWaalsContact O-N 3.09Å; G467-Y470 PolarHBondContact O-N 3.18Å; G467-R472 PolarHBondContact N-O 2.95Å; G467-Q473 PolarHBondContact O-OE1 3.03Å
468P84.8Confident94.1Very high78 Ų7840.7 Ų40.751%0.50622%0.217SC..THydrogen-bonded Turntrans-56.8-33.8-169.7-2734.7000114Y470P468-Y470 VanDerWaalsContact C-N 3.26Å; P468-Y470 PolarHBondContact O-N 3.27Å
469C85.3Confident94.2Very high51 Ų5140.8 Ų40.835%0.34522%0.218SC..THydrogen-bonded Turntrans-82.64.8-179.9-59.20000113.6Y272 G467Y272-C469 WeakPolarHBondContact CD2-O 3.46Å; Y272-C469 WeakPolarHBondContact CE2-O 3.31Å; G467-C469 PolarHBondContact O-N 3.19Å; G467-C469 VanDerWaalsContact O-N 3.09Å
470Y89.6Confident94.2Very high19 Ų1937.2 Ų37.28%0.07520%0.204CC..SBendtrans-130.8158.4-173.8-60.4-91.6000112.1P270 Y272 F404 W466 G467 P468 R472 Q473P270-Y470 HydrophobicContact CB-CE1 4.43Å; P270-Y470 HydrophobicContact CG-CD1 4.27Å; P270-Y470 HydrophobicContact CG-CE1 3.46Å; P270-Y470 VanDerWaalsContact CG-CE1 3.46Å; P270-Y470 HydrophobicContact CG-CE2 4.25Å; P270-Y470 VanDerWaalsContact CG-CZ 3.44Å; P270-Y470 WeakPolarHBondContact CG-OH 3.46Å; Y272-Y470 AromaticContact CE2-CD1 3.86Å; Y272-Y470 HydrophobicContact CE2-CD1 3.86Å; Y272-Y470 HydrophobicContact CE2-CE1 4.38Å; Y272-Y470 HydrophobicContact CE2-CG 4.35Å; Y272-Y470 AromaticContact CZ-CD1 3.93Å; Y272-Y470 WeakPolarHBondContact OH-CD1 3.16Å; Y272-Y470 VanDerWaalsContact OH-CE1 3.22Å; Y272-Y470 WeakPolarHBondContact OH-CE1 3.36Å; F404-Y470 HydrophobicContact CD1-CE1 4.11Å; F404-Y470 AromaticContact CD1-CZ 3.85Å; F404-Y470 WeakPolarHBondContact CD1-OH 3.33Å; F404-Y470 AromaticContact CE1-CE1 3.56Å; F404-Y470 HydrophobicContact CE1-CE1 3.56Å; F404-Y470 AromaticContact CE1-CZ 3.65Å; F404-Y470 VanDerWaalsContact CE1-OH 3.28Å; F404-Y470 WeakPolarHBondContact CE1-OH 3.48Å; F404-Y470 HydrophobicContact CZ-CE1 4.35Å; W466-Y470 VanDerWaalsContact C-CD2 3.41Å; W466-Y470 WeakPolarHBondContact O-CD2 3.4Å; W466-Y470 WeakPolarHBondContact O-CE2 3.41Å; G467-Y470 PolarHBondContact O-N 3.18Å; P468-Y470 VanDerWaalsContact C-N 3.26Å; P468-Y470 PolarHBondContact O-N 3.27Å; Y470-R472 PolarHBondContact O-N 3.13Å; Y470-Q473 PolarHBondContact O-NE2 3.48Å
471S90.4Very high94.2Very high119 Ų11937.7 Ų37.783%0.83221%0.206SC*.SBendtrans-65.5-24.817557.80000113.2
472R93.4Very high94.2Very high75 Ų7537.7 Ų37.728%0.28321%0.206SC..  trans-91117.3173.9-63.2-179.4-171.8-71.3-13.6108.3W466 G467 Y470 S477W466-R472 CarbonylContact C-O 3.52Å; W466-R472 WeakPolarHBondContact CA-O 3.24Å; W466-R472 HydrophobicContact CB-CB 4.02Å; W466-R472 WeakPolarHBondContact CB-O 3.21Å; G467-R472 PolarHBondContact N-O 2.95Å; Y470-R472 PolarHBondContact O-N 3.13Å; R472-S477 PolarHBondContact NH1-O 2.74Å
473Q91.8Very high94.2Very high96 Ų9639.1 Ų39.145%0.44921%0.213SC..  trans-81.9-34.5178.9-61.7-52.5-40.900112.5G467 Y470G467-Q473 PolarHBondContact O-OE1 3.03Å; Y470-Q473 PolarHBondContact O-NE2 3.48Å
474F93.1Very high94.2Very high138 Ų13838.3 Ų38.361%0.60521%0.206SC*.SBendtrans-113.9144.9-176.4-56.6-77.9000111.8T476 S477F474-T476 PolarHBondContact O-N 3.22Å; F474-S477 WeakPolarHBondContact O-CB 3.39Å; F474-S477 PolarHBondContact O-N 3.43Å; F474-S477 PolarHBondContact O-OG 3.26Å
475I94.8Very high94.2Very high12 Ų1236.5 Ų36.56%0.06220%0.2CC..G310 helixtrans-60.1-31.7176.2-166.8170.5000112.7R459 W466 S477 C478 W481R459-I475 HydrophobicContact CB-CD1 3.52Å; R459-I475 HydrophobicContact CG-CD1 4.21Å; W466-I475 HydrophobicContact CD2-CB 4.03Å; W466-I475 HydrophobicContact CD2-CG1 4.1Å; W466-I475 HydrophobicContact CE3-CG1 4.27Å; W466-I475 HydrophobicContact CG-CB 4.21Å; W466-I475 HydrophobicContact CH2-CD1 3.75Å; W466-I475 HydrophobicContact CH2-CG1 4.3Å; W466-I475 HydrophobicContact CZ2-CB 4.18Å; W466-I475 HydrophobicContact CZ2-CD1 3.69Å; W466-I475 HydrophobicContact CZ2-CG1 4.11Å; W466-I475 HydrophobicContact CZ3-CD1 4.19Å; W466-I475 HydrophobicContact CZ3-CG1 4.37Å; I475-S477 PolarHBondContact O-N 3.06Å; I475-S477 VanDerWaalsContact O-N 3.09Å; I475-C478 WeakPolarHBondContact O-CA 3.05Å; I475-C478 WeakPolarHBondContact O-CB 3.42Å; I475-C478 PolarHBondContact O-N 3.07Å; I475-W481 HydrophobicContact CD1-CB 4.09Å; I475-W481 HydrophobicContact CD1-CD2 3.72Å; I475-W481 HydrophobicContact CD1-CE3 3.36Å; I475-W481 HydrophobicContact CD1-CG 4.06Å; I475-W481 HydrophobicContact CD1-CZ3 4.02Å; I475-W481 HydrophobicContact CG1-CB 4.09Å; I475-W481 HydrophobicContact CG1-CD2 3.72Å; I475-W481 HydrophobicContact CG1-CE3 3.88Å; I475-W481 HydrophobicContact CG1-CG 3.83Å; I475-W481 HydrophobicContact CG2-CE3 4.49Å; I475-W481 HydrophobicContact CG2-CH2 4.38Å; I475-W481 HydrophobicContact CG2-CZ2 4.45Å; I475-W481 HydrophobicContact CG2-CZ3 4.37Å
476T96.4Very high94.2Very high41 Ų4136.6 Ų36.625%0.25220%0.199SC..G310 helixtrans-65.4-12.717656.10000113.3H332 R333 F474 C478 W481H332-T476 CarbonylContact C-O 3.58Å; H332-T476 VanDerWaalsContact C-O 3.23Å; H332-T476 VanDerWaalsContact CA-O 3.22Å; H332-T476 WeakPolarHBondContact CA-O 3.42Å; R333-T476 HydrophobicContact CG-CG2 4.18Å; F474-T476 PolarHBondContact O-N 3.22Å; T476-C478 VanDerWaalsContact C-N 3.35Å; T476-W481 HydrophobicContact CG2-CZ2 4.25Å
477S96.7Very high93.9Very high38 Ų3838.5 Ų38.527%0.26621%0.209SC..G310 helixtrans-81.6-16.1169.2-54.90000111.9R472 F474 I475R472-S477 PolarHBondContact NH1-O 2.74Å; F474-S477 WeakPolarHBondContact O-CB 3.39Å; F474-S477 PolarHBondContact O-N 3.43Å; F474-S477 PolarHBondContact O-OG 3.26Å; I475-S477 PolarHBondContact O-N 3.06Å; I475-S477 VanDerWaalsContact O-N 3.09Å
478C97.5Very high92.8Very high0 Ų040.7 Ų40.70%022%0.221CC..SBendtrans-71.1139.6177.4-66.30000110.9H332 S461 I475 T476 C480H332-C478 WeakPolarHBondContact CA-O 3.27Å; H332-C478 PolarHBondContact N-O 2.79Å; H332-C478 PolarHBondContact ND1-O 2.68Å; S461-C478 VanDerWaalsContact OG-CB 3.3Å; S461-C478 WeakPolarHBondContact OG-CB 3.45Å; S461-C478 PolarHBondContact OG-SG 3.39Å; S461-C478 VanDerWaalsContact OG-SG 3.38Å; I475-C478 WeakPolarHBondContact O-CA 3.05Å; I475-C478 WeakPolarHBondContact O-CB 3.42Å; I475-C478 PolarHBondContact O-N 3.07Å; T476-C478 VanDerWaalsContact C-N 3.35Å; C478-C480 PolarHBondContact O-N 3.32Å
479P97.6Very high91.2Very high1 Ų144.9 Ų44.91%0.00623%0.233CC..SBendtrans-66.3-36.9-178.2-21.332.9000113.9E331 H332 V373 T376 K464E331-P479 VanDerWaalsContact CA-O 3.28Å; E331-P479 WeakPolarHBondContact CA-O 3.36Å; H332-P479 PolarHBondContact N-O 2.84Å; V373-P479 HydrophobicContact CG2-CB 3.94Å; T376-P479 HydrophobicContact CG2-CB 4.24Å; K464-P479 HydrophobicContact CG-CG 4.24Å
480C98.1Very high89.4Confident0 Ų054.3 Ų54.30%026%0.261CS..SBendtrans-142.4122.4-178.5-55.50000109.6Y329 W330 T376 R377 I380 F462 C478Y329-C480 HydrophobicContact CE2-CB 4.07Å; Y329-C480 PolarHBondContact OH-SG 3.42Å; Y329-C480 VanDerWaalsContact OH-SG 3.39Å; W330-C480 WeakPolarHBondContact O-CA 3.31Å; T376-C480 HydrophobicContact CG2-CB 3.97Å; R377-C480 VanDerWaalsContact CG-SG 3.59Å; I380-C480 HydrophobicContact CD1-CB 4.38Å; F462-C480 HydrophobicContact CD2-CB 4.39Å; F462-C480 PolarHBondContact N-O 3.26Å; C478-C480 PolarHBondContact O-N 3.32Å
481W98.5Very high89.4Confident10 Ų1056.1 Ų56.14%0.03827%0.271CS..EExtended strand (participates in β ladder)trans-150164.2179.463.3-79.6000111.9Y329 W330 H332 R459 I460 I475 T476 E483Y329-W481 WeakPolarHBondContact CD2-O 3.18Å; W330-W481 HydrophobicContact CB-CD2 3.68Å; W330-W481 HydrophobicContact CB-CE3 4.35Å; W330-W481 HydrophobicContact CB-CG 4.03Å; W330-W481 HydrophobicContact CB-CH2 4.21Å; W330-W481 HydrophobicContact CB-CZ2 3.5Å; W330-W481 VanDerWaalsContact CB-NE1 3.28Å; W330-W481 AromaticContact CD1-CE3 3.88Å; W330-W481 AromaticContact CD1-CH2 3.53Å; W330-W481 AromaticContact CD1-CZ2 3.75Å; W330-W481 AromaticContact CD1-CZ3 3.63Å; W330-W481 AromaticContact CD2-CH2 3.83Å; W330-W481 HydrophobicContact CD2-CH2 3.83Å; W330-W481 AromaticContact CD2-CZ2 3.63Å; W330-W481 HydrophobicContact CD2-CZ2 3.63Å; W330-W481 AromaticContact CE2-CH2 3.91Å; W330-W481 HydrophobicContact CE3-CZ2 4.07Å; W330-W481 HydrophobicContact CG-CD2 4.06Å; W330-W481 AromaticContact CG-CE2 3.6Å; W330-W481 HydrophobicContact CG-CE3 4.28Å; W330-W481 AromaticContact CG-CH2 3.63Å; W330-W481 HydrophobicContact CG-CH2 3.63Å; W330-W481 AromaticContact CG-CZ2 3.36Å; W330-W481 HydrophobicContact CG-CZ2 3.36Å; W330-W481 HydrophobicContact CG-CZ3 4.11Å; W330-W481 PolarHBondContact N-O 3.31Å; W330-W481 AromaticContact NE1-CH2 3.67Å; W330-W481 AromaticContact NE1-CZ3 3.93Å; W330-W481 PolarHBondContact O-N 3.38Å; H332-W481 PolarHBondContact O-NE1 3.4Å; R459-W481 HydrophobicContact CG-CZ3 4.45Å; I460-W481 CarbonylContact O-C 3.54Å; I460-W481 WeakPolarHBondContact O-CA 3.43Å; I460-W481 WeakPolarHBondContact O-CB 3.32Å; I475-W481 HydrophobicContact CD1-CB 4.09Å; I475-W481 HydrophobicContact CD1-CD2 3.72Å; I475-W481 HydrophobicContact CD1-CE3 3.36Å; I475-W481 HydrophobicContact CD1-CG 4.06Å; I475-W481 HydrophobicContact CD1-CZ3 4.02Å; I475-W481 HydrophobicContact CG1-CB 4.09Å; I475-W481 HydrophobicContact CG1-CD2 3.72Å; I475-W481 HydrophobicContact CG1-CE3 3.88Å; I475-W481 HydrophobicContact CG1-CG 3.83Å; I475-W481 HydrophobicContact CG2-CE3 4.49Å; I475-W481 HydrophobicContact CG2-CH2 4.38Å; I475-W481 HydrophobicContact CG2-CZ2 4.45Å; I475-W481 HydrophobicContact CG2-CZ3 4.37Å; T476-W481 HydrophobicContact CG2-CZ2 4.25Å; W481-E483 HydrophobicContact CZ3-CB 3.84Å; W481-E483 HydrophobicContact CZ3-CG 4.46Å
482L98.6Very high89.3Confident0 Ų052.7 Ų52.70%024%0.241CC..EExtended strand (participates in β ladder)trans-118143.6179.3-61.1171.7000109.7V327 A328 Y329 I349 L361 I384 R459 I460 F462V327-L482 HydrophobicContact CG1-CB 4.48Å; V327-L482 HydrophobicContact CG1-CD2 3.93Å; A328-L482 VanDerWaalsContact O-CA 3.31Å; A328-L482 WeakPolarHBondContact O-CA 3.44Å; Y329-L482 HydrophobicContact CD2-CD2 3.85Å; Y329-L482 HydrophobicContact CG-CD2 4.47Å; I349-L482 HydrophobicContact CD1-CD1 4.02Å; I349-L482 HydrophobicContact CG2-CD1 3.94Å; I349-L482 HydrophobicContact CG2-CD2 4.31Å; L361-L482 HydrophobicContact CD1-CD2 4.41Å; L361-L482 HydrophobicContact CD2-CD2 4.4Å; I384-L482 HydrophobicContact CD1-CD1 4.01Å; R459-L482 WeakPolarHBondContact CA-O 3.41Å; I460-L482 HydrophobicContact CB-CB 4.46Å; I460-L482 PolarHBondContact N-O 3.18Å; I460-L482 PolarHBondContact O-N 3.16Å; F462-L482 HydrophobicContact CE2-CD1 3.75Å; F462-L482 HydrophobicContact CE2-CD2 4.3Å; F462-L482 HydrophobicContact CE2-CG 3.7Å; F462-L482 HydrophobicContact CZ-CD1 3.62Å; F462-L482 HydrophobicContact CZ-CG 4.13Å
483E97.8Very high89.1Confident30 Ų3051.5 Ų51.514%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-115.2122.2163.5-166.5165-137.800108.4V327 A328 S457 R459 W481 L485V327-E483 WeakPolarHBondContact CA-O 3.4Å; A328-E483 HydrophobicContact CB-CB 4.23Å; A328-E483 PolarHBondContact N-O 3.08Å; A328-E483 PolarHBondContact O-N 3.42Å; S457-E483 VanDerWaalsContact OG-CG 3.26Å; S457-E483 WeakPolarHBondContact OG-CG 3.38Å; S457-E483 PolarHBondContact OG-OE1 3.34Å; R459-E483 HydrophobicContact CG-CG 4.45Å; R459-E483 IonicContact NE-OE1 3.82Å; R459-E483 IonicContact NH2-OE1 2.76Å; W481-E483 HydrophobicContact CZ3-CB 3.84Å; W481-E483 HydrophobicContact CZ3-CG 4.46Å; E483-L485 HydrophobicContact CG-CD2 3.98Å
484I97.8Very high88.9Confident1 Ų148.9 Ų48.91%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-108.4112.6-179.3-57.7161.2000106.7C325 N326 V327 L386 S457 V458 I460 L486C325-I484 HydrophobicContact CB-CG2 4.07Å; N326-I484 WeakPolarHBondContact O-CA 3.37Å; V327-I484 HydrophobicContact CG2-CG1 4.49Å; L386-I484 HydrophobicContact CD1-CD1 3.81Å; L386-I484 HydrophobicContact CD2-CD1 3.89Å; L386-I484 HydrophobicContact CD2-CG1 4.33Å; L386-I484 HydrophobicContact CD2-CG2 4.03Å; S457-I484 WeakPolarHBondContact CA-O 3.39Å; V458-I484 HydrophobicContact CB-CB 4.18Å; V458-I484 HydrophobicContact CB-CD1 4.49Å; V458-I484 HydrophobicContact CG1-CD1 4.27Å; V458-I484 PolarHBondContact N-O 3.22Å; V458-I484 PolarHBondContact O-N 3.42Å; I460-I484 HydrophobicContact CD1-CD1 3.65Å; I460-I484 HydrophobicContact CG1-CD1 4.2Å; I484-L486 HydrophobicContact CG2-CD2 3.86Å
485L95.8Very high88.7Confident45 Ų4543.3 Ų43.324%0.23620%0.203CC..EExtended strand (participates in β ladder)trans-96.7109.2-178.8-56172.8000108.1C325 N326 L339 E483C325-L485 CarbonylContact C-O 3.54Å; C325-L485 WeakPolarHBondContact CA-O 3.35Å; C325-L485 VanDerWaalsContact CB-O 3.25Å; C325-L485 WeakPolarHBondContact CB-O 3.43Å; N326-L485 HydrophobicContact CB-CB 4.38Å; N326-L485 PolarHBondContact N-O 3.36Å; N326-L485 PolarHBondContact O-N 2.72Å; L339-L485 HydrophobicContact CD2-CD1 4.41Å; E483-L485 HydrophobicContact CG-CD2 3.98Å
486L94.4Very high88.3Confident10 Ų1045.4 Ų45.45%0.05221%0.212CC..EExtended strand (participates in β ladder)trans-85124.4-176.3-58.9176.7000110.8W324 C325 V393 F432 N456 V458 I484 N488W324-L486 HydrophobicContact CE3-CD2 4.16Å; W324-L486 HydrophobicContact CZ3-CD2 3.83Å; C325-L486 HydrophobicContact CB-CD2 3.89Å; V393-L486 HydrophobicContact CG2-CD1 4.31Å; V393-L486 HydrophobicContact CG2-CD2 3.97Å; F432-L486 HydrophobicContact CB-CD1 3.65Å; F432-L486 HydrophobicContact CD1-CD1 3.56Å; F432-L486 HydrophobicContact CD2-CD1 3.39Å; F432-L486 HydrophobicContact CE1-CD1 3.96Å; F432-L486 HydrophobicContact CE2-CD1 3.8Å; F432-L486 HydrophobicContact CG-CD1 3.24Å; F432-L486 HydrophobicContact CZ-CD1 4.05Å; N456-L486 HydrophobicContact CB-CB 4.29Å; N456-L486 WeakPolarHBondContact O-CB 3Å; N456-L486 WeakPolarHBondContact O-CG 3.49Å; N456-L486 PolarHBondContact O-N 2.87Å; V458-L486 HydrophobicContact CG2-CD1 4.15Å; I484-L486 HydrophobicContact CG2-CD2 3.86Å; L486-N488 PolarHBondContact O-N 3.25Å; L486-N488 VanDerWaalsContact O-N 3.17Å
487N89.1Confident87.7Confident44 Ų4445.7 Ų45.724%0.23521%0.21CC..  trans-84.194.2171.7-73.1-1.2000108.9H323 W324 H489H323-N487 PolarHBondContact CD2-ND2 2.76Å; H323-N487 PolarHBondContact CE1-ND2 3.41Å; H323-N487 PolarHBondContact NE2-ND2 3.11Å; H323-N487 WeakPolarHBondContact O-CB 3.47Å; H323-N487 PolarHBondContact O-ND2 2.96Å; W324-N487 PolarHBondContact O-N 3.47Å; N487-H489 PolarHBondContact O-N 3.06Å
488N66.9Low87Confident47 Ų4746.3 Ų46.325%0.25121%0.205SC..  trans-82.138.9174.7-75.2-29.5000112.3R441 N456 L486 R490R441-N488 PolarHBondContact NH2-ND2 3.46Å; R441-N488 VanDerWaalsContact NH2-ND2 3.2Å; N456-N488 PolarHBondContact OD1-ND2 3.2Å; L486-N488 PolarHBondContact O-N 3.25Å; L486-N488 VanDerWaalsContact O-N 3.17Å; N488-R490 VanDerWaalsContact C-N 3.29Å; N488-R490 PolarHBondContact O-N 3.45Å
489H51.7Low86.1Confident165 Ų16550.2 Ų50.276%0.76422%0.222SC*.  trans-71.693.2162.4-78.1-72.9000107.1N487N487-H489 PolarHBondContact O-N 3.06Å
490R47.3Very low85.1Confident249 Ų24954.6 Ų54.694%0.9424%0.242SC*.  trans-770165.3-78.2-171.4177.2-162.11.4110N488N488-R490 VanDerWaalsContact C-N 3.29Å; N488-R490 PolarHBondContact O-N 3.45Å

Retrieved 490 of 490 residues in 960.4 ms (Link to these results)

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