A0A3B3U4L4_9TELE Loading...

Translocation protein SEC62

AlphaFold DB , UniProt , Accession A0A3B3U4L4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 416 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
1M46.6Very low45.4Very low188 Ų188155.1 Ų155.193%0.92668%0.682SS**  0-66.30-83.4-63.1-170.700113.4E3 R4 R5M1-E3 PolarHBondContact O-N 3.43Å; M1-R4 PolarHBondContact O-N 2.96Å; M1-R5 PolarHBondContact O-N 2.98Å
2A44.9Very low45.2Very low68 Ų68154.6 Ų154.656%0.56268%0.683SS**Hα-helixtrans-59.2-39.3-170.500000114.2R5 R6A2-R5 PolarHBondContact O-N 3.44Å; A2-R6 PolarHBondContact O-N 3.35Å
3E46.5Very low44.9Very low159 Ų159156.3 Ų156.374%0.74369%0.694SS**Hα-helixtrans-66.8-45179.6-67164.8117.900112.8M1 R5 R6 H7M1-E3 PolarHBondContact O-N 3.43Å; E3-R5 PolarHBondContact O-N 3.31Å; E3-R6 CarbonylContact O-C 3.53Å; E3-R6 WeakPolarHBondContact O-CA 3.27Å; E3-R6 PolarHBondContact O-N 3.22Å; E3-H7 WeakPolarHBondContact O-CB 3.44Å; E3-H7 PolarHBondContact O-N 2.97Å
4R48.4Very low45.6Very low220 Ų220148.1 Ų148.183%0.8366%0.662SS**Hα-helixtrans-57.1-34.5172.9-73.8-168178.4-160.9-0.1111.8M1 K8M1-R4 PolarHBondContact O-N 2.96Å; R4-K8 VanDerWaalsContact O-CB 3.29Å; R4-K8 WeakPolarHBondContact O-CB 3.39Å; R4-K8 PolarHBondContact O-N 3.32Å
5R43.5Very low46.5Very low188 Ų188143.5 Ų143.571%0.70966%0.655SS**Hα-helixtrans-72-37.6172.6-69.4-175.1177.2-177.9-1112.9M1 A2 E3 K9M1-R5 PolarHBondContact O-N 2.98Å; A2-R5 PolarHBondContact O-N 3.44Å; E3-R5 PolarHBondContact O-N 3.31Å; R5-K9 WeakPolarHBondContact O-CB 3.49Å; R5-K9 WeakPolarHBondContact O-CG 3.4Å; R5-K9 PolarHBondContact O-N 2.88Å
6R48.3Very low48Very low195 Ų195145.4 Ų145.474%0.73667%0.665SS**Hα-helixtrans-68.6-40.4174.1-75.6179.5175.5-97.74112.4A2 E3 K9 R10A2-R6 PolarHBondContact O-N 3.35Å; E3-R6 CarbonylContact O-C 3.53Å; E3-R6 WeakPolarHBondContact O-CA 3.27Å; E3-R6 PolarHBondContact O-N 3.22Å; R6-K9 PolarHBondContact O-N 2.75Å; R6-R10 PolarHBondContact O-N 2.99Å
7H44.8Very low49.7Very low119 Ų119138.8 Ų138.855%0.55164%0.638SS**Hα-helixtrans-66.6-47.4176.8-16382.8000110.4E3 K9 R10 I11E3-H7 WeakPolarHBondContact O-CB 3.44Å; E3-H7 PolarHBondContact O-N 2.97Å; H7-K9 VanDerWaalsContact C-N 3.3Å; H7-K9 PolarHBondContact O-N 2.85Å; H7-R10 PolarHBondContact O-N 3.2Å; H7-R10 VanDerWaalsContact O-N 3.16Å; H7-I11 WeakPolarHBondContact O-CG1 3.29Å; H7-I11 PolarHBondContact O-N 3.12Å
8K44.8Very low51.6Low153 Ų153134.4 Ų134.467%0.66562%0.624SS**Hα-helixtrans-61.8-33.9172.9-170.2160-175.6166.50113R4 Q12R4-K8 VanDerWaalsContact O-CB 3.29Å; R4-K8 WeakPolarHBondContact O-CB 3.39Å; R4-K8 PolarHBondContact O-N 3.32Å; K8-Q12 VanDerWaalsContact O-CB 3.27Å; K8-Q12 WeakPolarHBondContact O-CB 3.29Å; K8-Q12 PolarHBondContact O-N 2.98Å; K8-Q12 VanDerWaalsContact O-N 3.12Å
9K38.8Very low53.3Low144 Ų144137.4 Ų137.463%0.62664%0.635SS**Hα-helixtrans-69.3-41.2171.2-81.1-167.6171.1-158.10113.5R5 R6 H7 I11 Q12 E13R5-K9 WeakPolarHBondContact O-CB 3.49Å; R5-K9 WeakPolarHBondContact O-CG 3.4Å; R5-K9 PolarHBondContact O-N 2.88Å; R6-K9 PolarHBondContact O-N 2.75Å; H7-K9 VanDerWaalsContact C-N 3.3Å; H7-K9 PolarHBondContact O-N 2.85Å; K9-I11 VanDerWaalsContact C-N 3.3Å; K9-I11 PolarHBondContact O-N 3.34Å; K9-Q12 CarbonylContact O-C 3.54Å; K9-Q12 WeakPolarHBondContact O-CA 3.5Å; K9-Q12 WeakPolarHBondContact O-CB 3.36Å; K9-Q12 PolarHBondContact O-N 2.95Å; K9-E13 PolarHBondContact O-N 3.34Å
10R44.8Very low54.9Low180 Ų180136.4 Ų136.468%0.67963%0.63SS**Hα-helixtrans-61-40.4174.7-176.4179.9-72.3-169.7-3.2111.4R6 H7 Q12R6-R10 PolarHBondContact O-N 2.99Å; H7-R10 PolarHBondContact O-N 3.2Å; H7-R10 VanDerWaalsContact O-N 3.16Å; R10-Q12 PolarHBondContact O-N 3.16Å
11I48.6Very low56.4Low92 Ų92130.4 Ų130.447%0.47260%0.603SS.*Hα-helixtrans-66.1-25172.6-66.9164.2000111.9H7 K9H7-I11 WeakPolarHBondContact O-CG1 3.29Å; H7-I11 PolarHBondContact O-N 3.12Å; K9-I11 VanDerWaalsContact C-N 3.3Å; K9-I11 PolarHBondContact O-N 3.34Å
12Q41.9Very low58.3Low149 Ų149125.5 Ų125.570%0.69658%0.576SS**Hα-helixtrans-92.2-17.2-177.2-168.9169.721.700114.2K8 K9 R10 V14K8-Q12 VanDerWaalsContact O-CB 3.27Å; K8-Q12 WeakPolarHBondContact O-CB 3.29Å; K8-Q12 PolarHBondContact O-N 2.98Å; K8-Q12 VanDerWaalsContact O-N 3.12Å; K9-Q12 CarbonylContact O-C 3.54Å; K9-Q12 WeakPolarHBondContact O-CA 3.5Å; K9-Q12 WeakPolarHBondContact O-CB 3.36Å; K9-Q12 PolarHBondContact O-N 2.95Å; R10-Q12 PolarHBondContact O-N 3.16Å; Q12-V14 VanDerWaalsContact C-N 3.35Å
13E42.1Very low60.3Low177 Ų177124.1 Ų124.183%0.82757%0.565SS**Hα-helixtrans-82.4-15.8168.1-72.4179150.300112.4K9 S15K9-E13 PolarHBondContact O-N 3.34Å; E13-S15 PolarHBondContact O-N 3.39Å
14V54.8Low62.3Low41 Ų41116.5 Ų116.525%0.24853%0.529CS..SBendtrans-73119.3168.2172.40000108.5Q12 K87 K88Q12-V14 VanDerWaalsContact C-N 3.35Å; V14-K87 WeakPolarHBondContact CG2-O 3.49Å; V14-K88 HydrophobicContact CG1-CB 4.21Å; V14-K88 HydrophobicContact CG1-CG 3.82Å
15S59.4Low64.2Low80 Ų80106 Ų10656%0.55949%0.49SS*.PPolyproline II helixtrans-61.1139.3178.3520000111.5E13 K88E13-S15 PolarHBondContact O-N 3.39Å; S15-K88 VanDerWaalsContact O-CE 3.32Å; S15-K88 WeakPolarHBondContact O-CE 3.32Å; S15-K88 VanDerWaalsContact OG-CE 3.29Å; S15-K88 WeakPolarHBondContact OG-CE 3.37Å
16E69.6Low66.3Low173 Ų173101 Ų10181%0.80847%0.473SS*.PPolyproline II helixtrans-51.1128.6-177.7-67.6-166.4167.900110.9T18E16-T18 PolarHBondContact O-N 3.48Å
17P76.5Confident68.2Low33 Ų3394.5 Ų94.521%0.21445%0.449CS..PPolyproline II helixtrans-65.7132.9-177.5-21.731.8000111.7E21 K22 K88 F90P17-E21 VanDerWaalsContact CA-OE2 3.26Å; P17-E21 WeakPolarHBondContact CA-OE2 3.23Å; P17-K22 HydrophobicContact CB-CG 4.1Å; P17-K22 VanDerWaalsContact O-CE 3.29Å; P17-K22 WeakPolarHBondContact O-CE 3.49Å; P17-K22 PolarHBondContact O-NZ 3.33Å; P17-K88 HydrophobicContact CB-CD 4.34Å; P17-K88 HydrophobicContact CG-CB 4.43Å; P17-K88 HydrophobicContact CG-CD 4.4Å; P17-F90 HydrophobicContact CB-CE2 3.6Å; P17-F90 HydrophobicContact CB-CZ 3.48Å; P17-F90 VanDerWaalsContact CB-CZ 3.48Å; P17-F90 HydrophobicContact CG-CE2 3.83Å; P17-F90 HydrophobicContact CG-CZ 3.95Å
18T84.9Confident70.2Confident61 Ų6188.8 Ų88.837%0.37442%0.422SS..PPolyproline II helixtrans-66.2163.8-176.174.10000110.6E16 E20 E21 K22E16-T18 PolarHBondContact O-N 3.48Å; T18-E20 PolarHBondContact O-N 2.73Å; T18-E20 PolarHBondContact OG1-N 3.34Å; T18-E21 PolarHBondContact N-OE2 2.86Å; T18-E21 PolarHBondContact O-N 3.34Å; T18-E21 WeakPolarHBondContact OG1-CG 3.33Å; T18-E21 PolarHBondContact OG1-N 2.63Å; T18-K22 WeakPolarHBondContact O-CB 3.29Å; T18-K22 WeakPolarHBondContact O-CG 3.47Å; T18-K22 PolarHBondContact O-N 2.8Å
19K83.7Confident72.2Confident191 Ų19183 Ų8383%0.8340%0.397SS*.Hα-helixtrans-61.3-34.3176.5-65-178.9-179.2178.20111.5A23K19-A23 WeakPolarHBondContact O-CB 3.26Å; K19-A23 PolarHBondContact O-N 3.07Å
20E84.8Confident74.4Confident117 Ų11780.9 Ų80.955%0.54739%0.387SS..Hα-helixtrans-68.2-50.3174.1-70.5152.3-143.800112T18 K22 A23 V24T18-E20 PolarHBondContact O-N 2.73Å; T18-E20 PolarHBondContact OG1-N 3.34Å; E20-K22 VanDerWaalsContact C-N 3.28Å; E20-K22 PolarHBondContact O-N 2.99Å; E20-A23 CarbonylContact O-C 3.55Å; E20-A23 WeakPolarHBondContact O-CA 3.35Å; E20-A23 WeakPolarHBondContact O-CB 3.28Å; E20-A23 PolarHBondContact O-N 3.08Å; E20-V24 WeakPolarHBondContact O-CG2 3.47Å; E20-V24 PolarHBondContact O-N 3.13Å
21E86.8Confident76.4Confident11 Ų1176.5 Ų76.55%0.05138%0.377CS..Hα-helixtrans-59-40.5178.3-71.7166.3159.700111.5P17 T18 A25 Y81 L85 K88 F90P17-E21 VanDerWaalsContact CA-OE2 3.26Å; P17-E21 WeakPolarHBondContact CA-OE2 3.23Å; T18-E21 PolarHBondContact N-OE2 2.86Å; T18-E21 PolarHBondContact O-N 3.34Å; T18-E21 WeakPolarHBondContact OG1-CG 3.33Å; T18-E21 PolarHBondContact OG1-N 2.63Å; E21-A25 VanDerWaalsContact O-CB 3.25Å; E21-A25 WeakPolarHBondContact O-CB 3.46Å; E21-A25 PolarHBondContact O-N 3.5Å; E21-Y81 WeakPolarHBondContact CA-OH 3.38Å; E21-Y81 HydrophobicContact CG-CE1 4.41Å; E21-Y81 WeakPolarHBondContact CG-OH 3.4Å; E21-L85 HydrophobicContact CB-CD2 4.07Å; E21-L85 HydrophobicContact CG-CD2 4.45Å; E21-K88 IonicContact OE1-NZ 2.73Å; E21-K88 PolarHBondContact OE1-NZ 3.01Å; E21-K88 VanDerWaalsContact OE2-CD 3.28Å; E21-K88 WeakPolarHBondContact OE2-CD 3.44Å; E21-K88 IonicContact OE2-NZ 2.63Å; E21-K88 PolarHBondContact OE2-NZ 3.01Å; E21-F90 HydrophobicContact CB-CE2 4.48Å; E21-F90 HydrophobicContact CB-CZ 4.42Å
22K87.3Confident78.2Confident84 Ų8472.4 Ų72.437%0.36536%0.357SS..Hα-helixtrans-65.2-37.3173.2-73.4168.51731470112.3P17 T18 E20 K26 F90P17-K22 HydrophobicContact CB-CG 4.1Å; P17-K22 VanDerWaalsContact O-CE 3.29Å; P17-K22 WeakPolarHBondContact O-CE 3.49Å; P17-K22 PolarHBondContact O-NZ 3.33Å; T18-K22 WeakPolarHBondContact O-CB 3.29Å; T18-K22 WeakPolarHBondContact O-CG 3.47Å; T18-K22 PolarHBondContact O-N 2.8Å; E20-K22 VanDerWaalsContact C-N 3.28Å; E20-K22 PolarHBondContact O-N 2.99Å; K22-K26 VanDerWaalsContact O-CB 3.23Å; K22-K26 WeakPolarHBondContact O-CB 3.42Å; K22-K26 PolarHBondContact O-N 3.43Å; K22-F90 HydrophobicContact CG-CE1 4.3Å; K22-F90 HydrophobicContact CG-CZ 4.03Å
23A86.9Confident80.2Confident39 Ų3969 Ų6932%0.32235%0.348SS..Hα-helixtrans-70.3-42.1176.400000112.3K19 E20 K26 Y27 W61K19-A23 WeakPolarHBondContact O-CB 3.26Å; K19-A23 PolarHBondContact O-N 3.07Å; E20-A23 CarbonylContact O-C 3.55Å; E20-A23 WeakPolarHBondContact O-CA 3.35Å; E20-A23 WeakPolarHBondContact O-CB 3.28Å; E20-A23 PolarHBondContact O-N 3.08Å; A23-K26 PolarHBondContact O-N 3.37Å; A23-Y27 PolarHBondContact O-N 3.27Å; A23-W61 HydrophobicContact CB-CH2 4.41Å; A23-W61 HydrophobicContact CB-CZ2 3.97Å; A23-W61 WeakPolarHBondContact O-CH2 3.47Å
24V87.5Confident82.3Confident0 Ų062.9 Ų62.90%032%0.323CS..Hα-helixtrans-62.2-48.1174.3171.30000110.4E20 K26 Y27 L28 L56 W61 F72 Y81 L85E20-V24 WeakPolarHBondContact O-CG2 3.47Å; E20-V24 PolarHBondContact O-N 3.13Å; V24-K26 PolarHBondContact O-N 3.18Å; V24-Y27 PolarHBondContact O-N 3.18Å; V24-L28 WeakPolarHBondContact O-CB 3.36Å; V24-L28 PolarHBondContact O-N 3.45Å; V24-L56 HydrophobicContact CG1-CD2 3.8Å; V24-W61 HydrophobicContact CB-CH2 4.43Å; V24-W61 HydrophobicContact CB-CZ3 4.46Å; V24-W61 HydrophobicContact CG2-CD2 3.81Å; V24-W61 HydrophobicContact CG2-CE3 3.96Å; V24-W61 HydrophobicContact CG2-CG 4.42Å; V24-W61 HydrophobicContact CG2-CH2 4.03Å; V24-W61 HydrophobicContact CG2-CZ2 3.84Å; V24-W61 HydrophobicContact CG2-CZ3 4.08Å; V24-F72 HydrophobicContact CG1-CE2 4.43Å; V24-F72 HydrophobicContact CG1-CZ 3.97Å; V24-F72 HydrophobicContact CG2-CZ 4.42Å; V24-Y81 HydrophobicContact CB-CE1 4.17Å; V24-Y81 HydrophobicContact CG1-CD1 4.36Å; V24-Y81 HydrophobicContact CG1-CE1 3.81Å; V24-Y81 HydrophobicContact CG2-CE1 4.35Å; V24-L85 HydrophobicContact CG1-CD1 4.22Å
25A88.1Confident83.8Confident0 Ų067.7 Ų67.70%034%0.34CS..Hα-helixtrans-64.9-36.9176.700000112.6E21 L28 R29 L85 F90 Y185E21-A25 VanDerWaalsContact O-CB 3.25Å; E21-A25 WeakPolarHBondContact O-CB 3.46Å; E21-A25 PolarHBondContact O-N 3.5Å; A25-L28 PolarHBondContact O-N 3.06Å; A25-R29 VanDerWaalsContact O-CB 3.32Å; A25-R29 WeakPolarHBondContact O-CB 3.31Å; A25-R29 PolarHBondContact O-N 2.76Å; A25-L85 HydrophobicContact CB-CD2 4.37Å; A25-F90 HydrophobicContact CB-CD1 3.24Å; A25-F90 HydrophobicContact CB-CE1 3.35Å; A25-F90 HydrophobicContact CB-CG 4.02Å; A25-F90 HydrophobicContact CB-CZ 4.16Å; A25-Y185 HydrophobicContact CB-CD1 3.92Å; A25-Y185 HydrophobicContact CB-CE1 4.03Å
26K87.9Confident85Confident83 Ų8366.9 Ų66.936%0.36134%0.335SS..Hα-helixtrans-63.6-45.4174-172.3-178.7179.8-174.80111.4K22 A23 V24 R29 F30 Y185 P187K22-K26 VanDerWaalsContact O-CB 3.23Å; K22-K26 WeakPolarHBondContact O-CB 3.42Å; K22-K26 PolarHBondContact O-N 3.43Å; A23-K26 PolarHBondContact O-N 3.37Å; V24-K26 PolarHBondContact O-N 3.18Å; K26-R29 PolarHBondContact O-N 3.05Å; K26-F30 HydrophobicContact CD-CE2 4.33Å; K26-F30 HydrophobicContact CG-CD2 3.87Å; K26-F30 HydrophobicContact CG-CE2 3.7Å; K26-F30 WeakPolarHBondContact O-CD2 3.43Å; K26-F30 PolarHBondContact O-N 3.11Å; K26-Y185 HydrophobicContact CB-CE1 4.32Å; K26-P187 HydrophobicContact CD-CB 4.43Å; K26-P187 HydrophobicContact CG-CB 4.04Å; K26-P187 HydrophobicContact CG-CG 4.13Å
27Y87.3Confident85.5Confident57 Ų5760.5 Ų60.522%0.22431%0.307CS..Hα-helixtrans-60.8-49.5174.7175.1-95.6000111A23 V24 R29 F30 N31 L56 S59 W61A23-Y27 PolarHBondContact O-N 3.27Å; V24-Y27 PolarHBondContact O-N 3.18Å; Y27-R29 PolarHBondContact O-N 2.91Å; Y27-F30 PolarHBondContact O-N 3.27Å; Y27-N31 HydrophobicContact CD1-CB 4.35Å; Y27-N31 HydrophobicContact CD2-CB 4.19Å; Y27-N31 WeakPolarHBondContact CD2-OD1 3.46Å; Y27-N31 HydrophobicContact CE1-CB 4.06Å; Y27-N31 HydrophobicContact CE2-CB 3.88Å; Y27-N31 VanDerWaalsContact CE2-CG 3.41Å; Y27-N31 VanDerWaalsContact CE2-OD1 3.27Å; Y27-N31 WeakPolarHBondContact CE2-OD1 3.47Å; Y27-N31 HydrophobicContact CG-CB 4.42Å; Y27-N31 WeakPolarHBondContact O-CB 3.36Å; Y27-N31 PolarHBondContact O-N 2.94Å; Y27-N31 PolarHBondContact O-OD1 3.23Å; Y27-L56 HydrophobicContact CD1-CD2 4.31Å; Y27-S59 VanDerWaalsContact CE1-CB 3.43Å; Y27-W61 AromaticContact CD1-CZ3 3.79Å; Y27-W61 HydrophobicContact CD1-CZ3 3.79Å; Y27-W61 HydrophobicContact CD2-CZ3 4.36Å; Y27-W61 HydrophobicContact CG-CH2 4.24Å; Y27-W61 AromaticContact CG-CZ3 3.65Å; Y27-W61 HydrophobicContact CG-CZ3 3.65Å
28L88.4Confident85.7Confident0 Ų062.3 Ų62.30%032%0.315CS..Hα-helixtrans-61.2-30.6179.2-175.967000112.8V24 A25 C32 A52 C55 L56 F91 W183V24-L28 WeakPolarHBondContact O-CB 3.36Å; V24-L28 PolarHBondContact O-N 3.45Å; A25-L28 PolarHBondContact O-N 3.06Å; L28-C32 HydrophobicContact CD1-CB 3.69Å; L28-C32 HydrophobicContact CG-CB 4.37Å; L28-C32 WeakPolarHBondContact O-CB 3.46Å; L28-C32 PolarHBondContact O-N 3.09Å; L28-A52 HydrophobicContact CD1-CB 3.62Å; L28-A52 HydrophobicContact CD2-CB 4.3Å; L28-A52 HydrophobicContact CG-CB 4.47Å; L28-C55 HydrophobicContact CD1-CB 4.34Å; L28-L56 HydrophobicContact CB-CD2 4.43Å; L28-L56 HydrophobicContact CD1-CD1 4.43Å; L28-L56 HydrophobicContact CD1-CG 4.13Å; L28-L56 HydrophobicContact CD2-CD1 4.31Å; L28-F91 HydrophobicContact CD2-CE1 4.4Å; L28-W183 HydrophobicContact CB-CH2 3.97Å; L28-W183 HydrophobicContact CB-CZ2 4.44Å; L28-W183 HydrophobicContact CD2-CH2 3.78Å; L28-W183 HydrophobicContact CD2-CZ2 4.29Å; L28-W183 HydrophobicContact CG-CH2 3.69Å; L28-W183 HydrophobicContact CG-CZ2 3.91Å
29R86.6Confident85Confident32 Ų3260.5 Ų60.512%0.12130%0.303CS..Hα-helixtrans-69-29.5174.9176.664.5167139-8.6113.9A25 K26 Y27 D45 W183 D186 P187A25-R29 VanDerWaalsContact O-CB 3.32Å; A25-R29 WeakPolarHBondContact O-CB 3.31Å; A25-R29 PolarHBondContact O-N 2.76Å; K26-R29 PolarHBondContact O-N 3.05Å; Y27-R29 PolarHBondContact O-N 2.91Å; R29-D45 IonicContact CZ-OD2 2.93Å; R29-D45 IonicContact NH1-OD2 3.83Å; R29-D45 PolarHBondContact NH1-OD2 3.39Å; R29-D45 IonicContact NH2-OD2 3.6Å; R29-D45 PolarHBondContact NH2-OD2 2.86Å; R29-W183 HydrophobicContact CB-CH2 4.18Å; R29-W183 HydrophobicContact CB-CZ2 4.17Å; R29-W183 HydrophobicContact CB-CZ3 4.49Å; R29-D186 IonicContact CZ-OD1 2.73Å; R29-D186 IonicContact NE-OD1 2.71Å; R29-D186 IonicContact NH2-OD1 2.7Å; R29-D186 PolarHBondContact NH2-OD1 2.9Å; R29-P187 HydrophobicContact CB-CG 4.22Å; R29-P187 HydrophobicContact CG-CG 3.76Å
30F84.5Confident84.3Confident98 Ų9858.1 Ų58.143%0.4330%0.296SS..Hα-helixtrans-106.8-20.8-177.4-66-60.9000114.4K26 Y27 P187 H189K26-F30 HydrophobicContact CD-CE2 4.33Å; K26-F30 HydrophobicContact CG-CD2 3.87Å; K26-F30 HydrophobicContact CG-CE2 3.7Å; K26-F30 WeakPolarHBondContact O-CD2 3.43Å; K26-F30 PolarHBondContact O-N 3.11Å; Y27-F30 PolarHBondContact O-N 3.27Å; F30-P187 HydrophobicContact CE2-CB 4.36Å; F30-P187 HydrophobicContact CE2-CG 3.62Å; F30-P187 HydrophobicContact CZ-CG 3.79Å; F30-H189 AromaticContact CE1-CD2 3.82Å; F30-H189 AromaticContact CZ-CD2 3.5Å; F30-H189 VanDerWaalsContact CZ-CD2 3.5Å; F30-H189 WeakPolarHBondContact CZ-CD2 3.28Å
31N86.6Confident83.7Confident89 Ų8954.9 Ų54.948%0.47630%0.295SS..Hα-helixtrans-109.5-4.5-177.2-68.794.1000113.9Y27 C55Y27-N31 HydrophobicContact CD1-CB 4.35Å; Y27-N31 HydrophobicContact CD2-CB 4.19Å; Y27-N31 WeakPolarHBondContact CD2-OD1 3.46Å; Y27-N31 HydrophobicContact CE1-CB 4.06Å; Y27-N31 HydrophobicContact CE2-CB 3.88Å; Y27-N31 VanDerWaalsContact CE2-CG 3.41Å; Y27-N31 VanDerWaalsContact CE2-OD1 3.27Å; Y27-N31 WeakPolarHBondContact CE2-OD1 3.47Å; Y27-N31 HydrophobicContact CG-CB 4.42Å; Y27-N31 WeakPolarHBondContact O-CB 3.36Å; Y27-N31 PolarHBondContact O-N 2.94Å; Y27-N31 PolarHBondContact O-OD1 3.23Å; N31-C55 PolarHBondContact O-SG 3.27Å
32C86Confident83.3Confident5 Ų561 Ų613%0.03432%0.323CS..SBendtrans-100.1129.6170.7-178.10000110L28 T34 C55L28-C32 HydrophobicContact CD1-CB 3.69Å; L28-C32 HydrophobicContact CG-CB 4.37Å; L28-C32 WeakPolarHBondContact O-CB 3.46Å; L28-C32 PolarHBondContact O-N 3.09Å; C32-T34 PolarHBondContact O-N 3.42Å; C32-C55 HydrophobicContact CB-CB 4.43Å
33P84Confident83Confident78 Ų7863.5 Ų63.551%0.50633%0.33SS..  trans-56.3109.1175-28.336.5000112.5K51P33-K51 HydrophobicContact CB-CD 4.09Å; P33-K51 HydrophobicContact CG-CD 4.09Å
34T87.5Confident82.9Confident49 Ų4963.2 Ų63.230%0.30132%0.324SS..  trans-94.1161.617439.40000111.6C32 Y46 F47C32-T34 PolarHBondContact O-N 3.42Å; T34-Y46 CarbonylContact C-O 3.51Å; T34-Y46 WeakPolarHBondContact CA-O 3.36Å; T34-F47 HydrophobicContact CG2-CB 4.41Å
35K84.6Confident82.9Confident141 Ų14165 Ų6561%0.61333%0.334SS*.EExtended strand (participates in β ladder)trans-138.6137.6165.8-69.8-162.6169.8-66.60111.3Y46K35-Y46 HydrophobicContact CB-CD1 4.42Å; K35-Y46 HydrophobicContact CB-CE1 3.81Å; K35-Y46 PolarHBondContact N-O 3.44Å; K35-Y46 WeakPolarHBondContact O-CD1 3.36Å; K35-Y46 WeakPolarHBondContact O-CE1 3.45Å; K35-Y46 PolarHBondContact O-N 2.88Å
36S84.6Confident83Confident64 Ų6466.5 Ų66.545%0.44834%0.34SS..EExtended strand (participates in β ladder)trans-69.8142.1177.6-52.40000111.5
37T81.8Confident83.1Confident38 Ų3862.7 Ų62.723%0.23332%0.323CS..EExtended strand (participates in β ladder)trans-157.9162172.1-154.60000113.1R43 V44 Y46 L166T37-R43 CarbonylContact O-C 3.4Å; T37-R43 WeakPolarHBondContact O-CA 3.44Å; T37-V44 HydrophobicContact CG2-CG2 4.05Å; T37-V44 PolarHBondContact N-O 3.39Å; T37-V44 PolarHBondContact O-N 2.82Å; T37-Y46 HydrophobicContact CG2-CD1 3.66Å; T37-Y46 HydrophobicContact CG2-CE1 4.11Å; T37-L166 HydrophobicContact CG2-CD1 3.89Å; T37-L166 HydrophobicContact CG2-CD2 3.86Å; T37-L166 HydrophobicContact CG2-CG 4.41Å
38N79.3Confident83.3Confident71 Ų7162.5 Ų62.538%0.3833%0.325SS..EExtended strand (participates in β ladder)trans-93.1112.8175.3-172.8-72000111.4G41 H42 K165N38-G41 VanDerWaalsContact ND2-C 3.29Å; N38-G41 PolarHBondContact ND2-O 2.87Å; N38-G41 WeakPolarHBondContact OD1-CA 3.4Å; N38-G41 PolarHBondContact OD1-N 3.22Å; N38-H42 CarbonylContact C-O 3.51Å; N38-H42 VanDerWaalsContact CA-O 3.28Å; N38-H42 WeakPolarHBondContact CA-O 3.46Å; N38-K165 WeakPolarHBondContact O-CE 3.49Å; N38-K165 PolarHBondContact O-NZ 3.06Å; N38-K165 PolarHBondContact OD1-NZ 3.35Å
39M71.1Confident83.3Confident23 Ų2362.5 Ų62.511%0.11333%0.325CS..EExtended strand (participates in β ladder)trans-113.2129.4172.8-170.8167.1179.700110.4G41 H42 V44 A94 L166 P168 V182M39-G41 PolarHBondContact O-N 3.49Å; M39-H42 PolarHBondContact N-O 3.25Å; M39-H42 PolarHBondContact O-N 2.87Å; M39-V44 HydrophobicContact CB-CG1 4.31Å; M39-V44 HydrophobicContact CB-CG2 3.42Å; M39-V44 VanDerWaalsContact CB-CG2 3.42Å; M39-A94 HydrophobicContact CE-CB 4.38Å; M39-A94 HydrophobicContact SD-CB 4.49Å; M39-L166 HydrophobicContact CB-CB 4.46Å; M39-L166 HydrophobicContact CE-CB 4.36Å; M39-L166 HydrophobicContact CG-CB 4.11Å; M39-L166 HydrophobicContact SD-CB 3.72Å; M39-P168 HydrophobicContact CE-CB 4.12Å; M39-P168 HydrophobicContact CE-CG 4.46Å; M39-V182 HydrophobicContact SD-CG2 3.94Å
40M68.9Low83.5Confident141 Ų14162.1 Ų62.170%0.69533%0.327SS*.THydrogen-bonded Turntrans52.3-2.3-175.8-60.6-166.8-178.800118.1P168M40-P168 HydrophobicContact CE-CG 3.71Å
41G72.5Confident83.7Confident50 Ų5062.5 Ų62.552%0.51533%0.329SS..THydrogen-bonded Turntrans134-24.8-177.200000112.6N38 M39N38-G41 VanDerWaalsContact ND2-C 3.29Å; N38-G41 PolarHBondContact ND2-O 2.87Å; N38-G41 WeakPolarHBondContact OD1-CA 3.4Å; N38-G41 PolarHBondContact OD1-N 3.22Å; M39-G41 PolarHBondContact O-N 3.49Å
42H78.4Confident83.9Confident138 Ų13858.2 Ų58.264%0.63931%0.306SS*.EExtended strand (participates in β ladder)trans-94148.7-179.2-53.4-73.6000111.6N38 M39 V44N38-H42 CarbonylContact C-O 3.51Å; N38-H42 VanDerWaalsContact CA-O 3.28Å; N38-H42 WeakPolarHBondContact CA-O 3.46Å; M39-H42 PolarHBondContact N-O 3.25Å; M39-H42 PolarHBondContact O-N 2.87Å; H42-V44 HydrophobicContact CB-CG1 4.39Å
43R80.5Confident84.1Confident137 Ų13758 Ų5852%0.51731%0.305SS..EExtended strand (participates in β ladder)trans-62.6133157.8-79.8176.975.4163.80.8108.1T37 E380T37-R43 CarbonylContact O-C 3.4Å; T37-R43 WeakPolarHBondContact O-CA 3.44Å; R43-E380 IonicContact CZ-OE1 3.51Å; R43-E380 IonicContact CZ-OE2 3.56Å; R43-E380 IonicContact NH1-OE1 3.57Å; R43-E380 PolarHBondContact NH1-OE1 2.95Å; R43-E380 IonicContact NH1-OE2 3.55Å; R43-E380 PolarHBondContact NH1-OE2 3.39Å; R43-E380 IonicContact NH2-OE1 3.64Å; R43-E380 PolarHBondContact NH2-OE1 2.95Å; R43-E380 IonicContact NH2-OE2 2.68Å; R43-E380 PolarHBondContact NH2-OE2 3.22Å
44V84.1Confident84.4Confident33 Ų3357.2 Ų57.220%0.230%0.296CS..EExtended strand (participates in β ladder)trans-144.9146.8173.5-55.60000109T37 M39 H42 V182T37-V44 HydrophobicContact CG2-CG2 4.05Å; T37-V44 PolarHBondContact N-O 3.39Å; T37-V44 PolarHBondContact O-N 2.82Å; M39-V44 HydrophobicContact CB-CG1 4.31Å; M39-V44 HydrophobicContact CB-CG2 3.42Å; M39-V44 VanDerWaalsContact CB-CG2 3.42Å; H42-V44 HydrophobicContact CB-CG1 4.39Å; V44-V182 HydrophobicContact CB-CG1 3.7Å; V44-V182 HydrophobicContact CG1-CG1 4.37Å; V44-V182 HydrophobicContact CG2-CG1 3.61Å; V44-V182 HydrophobicContact CG2-CG2 4.38Å
45D89.1Confident84.5Confident38 Ų3855.6 Ų55.620%0.20329%0.287CS..EExtended strand (participates in β ladder)trans-98.8137.7-177.8-52.5-24000109.6R29 V182 W183R29-D45 IonicContact CZ-OD2 2.93Å; R29-D45 IonicContact NH1-OD2 3.83Å; R29-D45 PolarHBondContact NH1-OD2 3.39Å; R29-D45 IonicContact NH2-OD2 3.6Å; R29-D45 PolarHBondContact NH2-OD2 2.86Å; D45-V182 WeakPolarHBondContact O-CA 3.1Å; D45-W183 PolarHBondContact O-N 2.77Å
46Y89.2Confident84.6Confident32 Ų3248.9 Ų48.913%0.12526%0.258CS..EExtended strand (participates in β ladder)trans-124.7152.9178.878-88.6000112.7T34 K35 T37 L166 V180 Y181T34-Y46 CarbonylContact C-O 3.51Å; T34-Y46 WeakPolarHBondContact CA-O 3.36Å; K35-Y46 HydrophobicContact CB-CD1 4.42Å; K35-Y46 HydrophobicContact CB-CE1 3.81Å; K35-Y46 PolarHBondContact N-O 3.44Å; K35-Y46 WeakPolarHBondContact O-CD1 3.36Å; K35-Y46 WeakPolarHBondContact O-CE1 3.45Å; K35-Y46 PolarHBondContact O-N 2.88Å; T37-Y46 HydrophobicContact CG2-CD1 3.66Å; T37-Y46 HydrophobicContact CG2-CE1 4.11Å; Y46-L166 HydrophobicContact CD1-CD2 4.27Å; Y46-L166 HydrophobicContact CG-CD2 4.13Å; Y46-V180 HydrophobicContact CD2-CG1 3.55Å; Y46-V180 HydrophobicContact CD2-CG2 4.31Å; Y46-V180 HydrophobicContact CE2-CG1 4.37Å; Y46-V180 HydrophobicContact CE2-CG2 4.48Å; Y46-V180 HydrophobicContact CG-CG1 4Å; Y46-Y181 CarbonylContact C-O 3.52Å; Y46-Y181 WeakPolarHBondContact CA-O 3.37Å; Y46-Y181 WeakPolarHBondContact CB-O 3.19Å
47F91.4Very high84.8Confident2 Ų248.4 Ų48.41%0.00925%0.25CC..EExtended strand (participates in β ladder)trans-129.9173174.667.4-88.1000110.9T34 A52 F91 F174 V180 Y181 W183T34-F47 HydrophobicContact CG2-CB 4.41Å; F47-A52 HydrophobicContact CD2-CB 3.54Å; F47-A52 HydrophobicContact CE2-CB 3.52Å; F47-F91 HydrophobicContact CE1-CB 3.84Å; F47-F91 HydrophobicContact CE1-CD1 4.09Å; F47-F91 HydrophobicContact CE1-CD2 4.42Å; F47-F91 AromaticContact CE1-CG 3.88Å; F47-F91 HydrophobicContact CE1-CG 3.88Å; F47-F91 HydrophobicContact CZ-CB 4.17Å; F47-F91 AromaticContact CZ-CD1 3.82Å; F47-F91 HydrophobicContact CZ-CD1 3.82Å; F47-F91 AromaticContact CZ-CD2 3.9Å; F47-F91 HydrophobicContact CZ-CD2 3.9Å; F47-F91 HydrophobicContact CZ-CE1 4.12Å; F47-F91 HydrophobicContact CZ-CE2 4.18Å; F47-F91 AromaticContact CZ-CG 3.7Å; F47-F91 HydrophobicContact CZ-CG 3.7Å; F47-F91 HydrophobicContact CZ-CZ 4.29Å; F47-F174 HydrophobicContact CE2-CE2 4.29Å; F47-V180 WeakPolarHBondContact O-CA 3.49Å; F47-Y181 WeakPolarHBondContact CD1-O 3.4Å; F47-Y181 HydrophobicContact CE2-CD2 4.2Å; F47-Y181 HydrophobicContact CE2-CG 4.22Å; F47-Y181 HydrophobicContact CZ-CG 4.17Å; F47-Y181 PolarHBondContact N-O 3.03Å; F47-Y181 PolarHBondContact O-N 2.91Å; F47-W183 AromaticContact CD1-CD1 3.91Å; F47-W183 HydrophobicContact CD1-CD2 4.04Å; F47-W183 AromaticContact CD1-CE2 3.46Å; F47-W183 VanDerWaalsContact CD1-CE2 3.46Å; F47-W183 HydrophobicContact CD1-CG 4.3Å; F47-W183 AromaticContact CD1-CZ2 3.82Å; F47-W183 HydrophobicContact CD1-CZ2 3.82Å; F47-W183 AromaticContact CD1-NE1 3.38Å; F47-W183 AromaticContact CE1-CD2 3.88Å; F47-W183 HydrophobicContact CE1-CD2 3.88Å; F47-W183 AromaticContact CE1-CE2 3.58Å; F47-W183 HydrophobicContact CE1-CE3 4.27Å; F47-W183 HydrophobicContact CE1-CG 4.43Å; F47-W183 HydrophobicContact CE1-CH2 4.16Å; F47-W183 AromaticContact CE1-CZ2 3.73Å; F47-W183 HydrophobicContact CE1-CZ2 3.73Å; F47-W183 HydrophobicContact CE1-CZ3 4.41Å; F47-W183 AromaticContact CE1-NE1 3.98Å; F47-W183 HydrophobicContact CZ-CZ2 4.38Å
48I90.1Very high85Confident54 Ų5451.3 Ų51.328%0.27726%0.264SS..EExtended strand (participates in β ladder)trans-112.1136179.3-55.2176.7000108.7S50 K51 A52 E179I48-S50 PolarHBondContact O-N 2.81Å; I48-K51 PolarHBondContact O-N 3.47Å; I48-A52 PolarHBondContact O-N 2.93Å; I48-A52 VanDerWaalsContact O-N 3.13Å; I48-E179 WeakPolarHBondContact CA-O 3.11Å
49A89.6Confident85.3Confident0 Ų048 Ų480%025%0.246CC..Hα-helixtrans-53.3-48.3-176.200000113.6K51 A52 V53 F174 L175 G177 E179 Y181A49-K51 PolarHBondContact O-N 3.02Å; A49-A52 PolarHBondContact O-N 2.99Å; A49-V53 WeakPolarHBondContact O-CG2 3.31Å; A49-V53 PolarHBondContact O-N 3.32Å; A49-F174 HydrophobicContact CB-CE1 4.32Å; A49-F174 HydrophobicContact CB-CE2 3.93Å; A49-F174 HydrophobicContact CB-CZ 3.67Å; A49-L175 WeakPolarHBondContact CB-O 3.39Å; A49-G177 WeakPolarHBondContact CB-O 3.19Å; A49-E179 HydrophobicContact CB-CB 4.37Å; A49-E179 PolarHBondContact N-O 2.67Å; A49-Y181 HydrophobicContact CB-CD2 4.13Å; A49-Y181 HydrophobicContact CB-CE2 3.43Å; A49-Y181 VanDerWaalsContact CB-CE2 3.43Å
50S90Very high85.8Confident23 Ų2353.9 Ų53.916%0.16127%0.271CS..Hα-helixtrans-54-56.2179.750.10000112I48 A52 V53 D54 G177I48-S50 PolarHBondContact O-N 2.81Å; S50-A52 VanDerWaalsContact C-N 3.26Å; S50-A52 PolarHBondContact O-N 3.1Å; S50-V53 PolarHBondContact O-N 3.37Å; S50-D54 PolarHBondContact O-N 3.19Å; S50-G177 PolarHBondContact N-O 2.88Å; S50-G177 PolarHBondContact OG-O 3.17Å
51K89.4Confident86.4Confident106 Ų10649 Ų4946%0.46125%0.245SC..Hα-helixtrans-55.3-38.9177-70.6-157.5174.7-1550113P33 I48 A49 C55P33-K51 HydrophobicContact CB-CD 4.09Å; P33-K51 HydrophobicContact CG-CD 4.09Å; I48-K51 PolarHBondContact O-N 3.47Å; A49-K51 PolarHBondContact O-N 3.02Å; K51-C55 WeakPolarHBondContact O-CB 3.21Å; K51-C55 PolarHBondContact O-N 3.03Å
52A89.6Confident86.8Confident0 Ų047.6 Ų47.60%023%0.228CC..Hα-helixtrans-70-37.1177.700000113.2L28 F47 I48 A49 S50 L56L28-A52 HydrophobicContact CD1-CB 3.62Å; L28-A52 HydrophobicContact CD2-CB 4.3Å; L28-A52 HydrophobicContact CG-CB 4.47Å; F47-A52 HydrophobicContact CD2-CB 3.54Å; F47-A52 HydrophobicContact CE2-CB 3.52Å; I48-A52 PolarHBondContact O-N 2.93Å; I48-A52 VanDerWaalsContact O-N 3.13Å; A49-A52 PolarHBondContact O-N 2.99Å; S50-A52 VanDerWaalsContact C-N 3.26Å; S50-A52 PolarHBondContact O-N 3.1Å; A52-L56 WeakPolarHBondContact O-CG 3.12Å; A52-L56 PolarHBondContact O-N 3.13Å; A52-L56 VanDerWaalsContact O-N 3.16Å
53V90.3Very high86.4Confident0 Ų046.8 Ų46.80%022%0.223CC..Hα-helixtrans-66.4-45174.61700000110.5A49 S50 L56 L57 R75 V78 V79 F174A49-V53 WeakPolarHBondContact O-CG2 3.31Å; A49-V53 PolarHBondContact O-N 3.32Å; S50-V53 PolarHBondContact O-N 3.37Å; V53-L56 PolarHBondContact O-N 3.29Å; V53-L57 HydrophobicContact CG1-CD1 4.17Å; V53-L57 WeakPolarHBondContact O-CG 3.25Å; V53-L57 PolarHBondContact O-N 3.16Å; V53-R75 HydrophobicContact CG1-CG 3.47Å; V53-R75 VanDerWaalsContact CG1-CG 3.47Å; V53-V78 HydrophobicContact CB-CG1 4.29Å; V53-V78 HydrophobicContact CG1-CB 4.29Å; V53-V78 HydrophobicContact CG1-CG1 4.14Å; V53-V78 HydrophobicContact CG2-CG1 4.12Å; V53-V79 HydrophobicContact CG2-CG2 4.27Å; V53-F174 HydrophobicContact CG2-CE1 3.62Å; V53-F174 HydrophobicContact CG2-CZ 3.87Å
54D90.2Very high85.5Confident62 Ų6243.5 Ų43.533%0.33223%0.225SC..Hα-helixtrans-64.6-46.1-180-59.8-33.7000110.8S50 L56 L57 D58 R75S50-D54 PolarHBondContact O-N 3.19Å; D54-L56 VanDerWaalsContact C-N 3.29Å; D54-L56 PolarHBondContact O-N 3.28Å; D54-L57 PolarHBondContact O-N 3.32Å; D54-D58 PolarHBondContact O-N 3.41Å; D54-R75 IonicContact OD1-CZ 3.15Å; D54-R75 IonicContact OD1-NH1 3.26Å; D54-R75 PolarHBondContact OD1-NH1 3.11Å; D54-R75 IonicContact OD1-NH2 2.78Å; D54-R75 PolarHBondContact OD1-NH2 2.89Å; D54-R75 IonicContact OD2-NH1 3.07Å; D54-R75 IonicContact OD2-NH2 3.72Å
55C89.1Confident84.2Confident15 Ų1549.6 Ų49.610%0.10125%0.249CC..Hα-helixtrans-53.3-40.8171.7178.70000113.3L28 N31 C32 K51 D58 S59L28-C55 HydrophobicContact CD1-CB 4.34Å; N31-C55 PolarHBondContact O-SG 3.27Å; C32-C55 HydrophobicContact CB-CB 4.43Å; K51-C55 WeakPolarHBondContact O-CB 3.21Å; K51-C55 PolarHBondContact O-N 3.03Å; C55-D58 PolarHBondContact O-N 3.07Å; C55-S59 PolarHBondContact O-N 3.3Å
56L88.1Confident81.9Confident0 Ų058.7 Ų58.70%029%0.286CS..Hα-helixtrans-74.4-29.8177.5-71.6174.5000113.3V24 Y27 L28 A52 V53 D54 D58 S59 F72 V78V24-L56 HydrophobicContact CG1-CD2 3.8Å; Y27-L56 HydrophobicContact CD1-CD2 4.31Å; L28-L56 HydrophobicContact CB-CD2 4.43Å; L28-L56 HydrophobicContact CD1-CD1 4.43Å; L28-L56 HydrophobicContact CD1-CG 4.13Å; L28-L56 HydrophobicContact CD2-CD1 4.31Å; A52-L56 WeakPolarHBondContact O-CG 3.12Å; A52-L56 PolarHBondContact O-N 3.13Å; A52-L56 VanDerWaalsContact O-N 3.16Å; V53-L56 PolarHBondContact O-N 3.29Å; D54-L56 VanDerWaalsContact C-N 3.29Å; D54-L56 PolarHBondContact O-N 3.28Å; L56-D58 VanDerWaalsContact C-N 3.34Å; L56-S59 VanDerWaalsContact O-CB 3.3Å; L56-S59 WeakPolarHBondContact O-CB 3.4Å; L56-S59 PolarHBondContact O-N 2.85Å; L56-S59 PolarHBondContact O-OG 3Å; L56-F72 HydrophobicContact CB-CD2 4.23Å; L56-F72 HydrophobicContact CB-CE2 4.13Å; L56-F72 HydrophobicContact CD1-CZ 4.4Å; L56-F72 HydrophobicContact CD2-CE2 3.89Å; L56-F72 HydrophobicContact CD2-CZ 4.24Å; L56-F72 HydrophobicContact CG-CE2 4.44Å; L56-F72 WeakPolarHBondContact O-CD2 3.36Å; L56-V78 HydrophobicContact CB-CG1 3.76Å; L56-V78 HydrophobicContact CB-CG2 4.48Å; L56-V78 HydrophobicContact CD1-CG1 3.65Å; L56-V78 HydrophobicContact CG-CG1 4.35Å
57L87.9Confident80.2Confident54 Ų5461.1 Ų61.128%0.28332%0.322SS..Hα-helixtrans-71.7-27.2171.6-69171.8000112.6V53 D54 S59 A62 R75 V78V53-L57 HydrophobicContact CG1-CD1 4.17Å; V53-L57 WeakPolarHBondContact O-CG 3.25Å; V53-L57 PolarHBondContact O-N 3.16Å; D54-L57 PolarHBondContact O-N 3.32Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-A62 WeakPolarHBondContact O-CB 3.42Å; L57-R75 HydrophobicContact CD1-CB 4.44Å; L57-R75 HydrophobicContact CD1-CG 4.28Å; L57-V78 HydrophobicContact CD2-CG2 3.71Å; L57-V78 HydrophobicContact CG-CG2 4.05Å
58D85.9Confident78.5Confident99 Ų9968.2 Ų68.253%0.52936%0.355SS..Hα-helixtrans-80.5-12.2171.2-92.4-55.5000114.2D54 C55 L56 K63D54-D58 PolarHBondContact O-N 3.41Å; C55-D58 PolarHBondContact O-N 3.07Å; L56-D58 VanDerWaalsContact C-N 3.34Å; D58-K63 WeakPolarHBondContact O-CD 3.46Å; D58-K63 VanDerWaalsContact O-CE 3.26Å; D58-K63 WeakPolarHBondContact O-CE 3.23Å; D58-K63 PolarHBondContact O-NZ 2.94Å; D58-K63 IonicContact OD1-NZ 2.79Å; D58-K63 PolarHBondContact OD1-NZ 2.99Å
59S85.3Confident77Confident1 Ų174.6 Ų74.61%0.00738%0.384CS..SBendtrans-71.5163.5-175.582.90000114.5Y27 C55 L56 L57 W61 A62 K63Y27-S59 VanDerWaalsContact CE1-CB 3.43Å; C55-S59 PolarHBondContact O-N 3.3Å; L56-S59 VanDerWaalsContact O-CB 3.3Å; L56-S59 WeakPolarHBondContact O-CB 3.4Å; L56-S59 PolarHBondContact O-N 2.85Å; L56-S59 PolarHBondContact O-OG 3Å; L57-S59 VanDerWaalsContact C-N 3.31Å; S59-W61 PolarHBondContact O-N 2.95Å; S59-W61 PolarHBondContact OG-N 3.05Å; S59-A62 PolarHBondContact O-N 2.76Å; S59-A62 VanDerWaalsContact O-N 3.09Å; S59-K63 PolarHBondContact O-N 3.4Å
60K83.1Confident76.1Confident146 Ų14676.2 Ų76.264%0.63540%0.397SS*.THydrogen-bonded Turntrans-57.7-15.6171.267.1177.5-177.31780115.1
61W81.6Confident75.2Confident39 Ų3977.8 Ų77.815%0.14840%0.403CS..THydrogen-bonded Turntrans-91.6-12.8179.7-62.8-72.3000113.2A23 V24 Y27 S59 L71 F72A23-W61 HydrophobicContact CB-CH2 4.41Å; A23-W61 HydrophobicContact CB-CZ2 3.97Å; A23-W61 WeakPolarHBondContact O-CH2 3.47Å; V24-W61 HydrophobicContact CB-CH2 4.43Å; V24-W61 HydrophobicContact CB-CZ3 4.46Å; V24-W61 HydrophobicContact CG2-CD2 3.81Å; V24-W61 HydrophobicContact CG2-CE3 3.96Å; V24-W61 HydrophobicContact CG2-CG 4.42Å; V24-W61 HydrophobicContact CG2-CH2 4.03Å; V24-W61 HydrophobicContact CG2-CZ2 3.84Å; V24-W61 HydrophobicContact CG2-CZ3 4.08Å; Y27-W61 AromaticContact CD1-CZ3 3.79Å; Y27-W61 HydrophobicContact CD1-CZ3 3.79Å; Y27-W61 HydrophobicContact CD2-CZ3 4.36Å; Y27-W61 HydrophobicContact CG-CH2 4.24Å; Y27-W61 AromaticContact CG-CZ3 3.65Å; Y27-W61 HydrophobicContact CG-CZ3 3.65Å; S59-W61 PolarHBondContact O-N 2.95Å; S59-W61 PolarHBondContact OG-N 3.05Å; W61-L71 HydrophobicContact CB-CB 4.36Å; W61-L71 HydrophobicContact CB-CD1 4.42Å; W61-L71 HydrophobicContact CG-CD1 4.26Å; W61-L71 PolarHBondContact O-N 3.23Å; W61-L71 VanDerWaalsContact O-N 3.08Å; W61-F72 HydrophobicContact CB-CD2 3.57Å; W61-F72 HydrophobicContact CB-CE2 3.59Å; W61-F72 HydrophobicContact CE3-CE2 4.41Å; W61-F72 HydrophobicContact CG-CE2 4.33Å; W61-F72 PolarHBondContact O-N 2.95Å
62A79.2Confident74.8Confident20 Ų2072.9 Ų72.917%0.16538%0.382CS..THydrogen-bonded Turntrans-94.9-43.3166.900000111.3L57 S59 A64 F72L57-A62 WeakPolarHBondContact O-CB 3.42Å; S59-A62 PolarHBondContact O-N 2.76Å; S59-A62 VanDerWaalsContact O-N 3.09Å; A62-A64 VanDerWaalsContact C-N 3.26Å; A62-A64 PolarHBondContact O-N 3.41Å; A62-F72 WeakPolarHBondContact CA-O 3.39Å; A62-F72 HydrophobicContact CB-CB 3.85Å; A62-F72 WeakPolarHBondContact CB-O 3.41Å
63K71.6Confident74.5Confident121 Ų12177.9 Ų77.953%0.52641%0.412SS..SBendtrans-76.174.7179.4-68170-175.41620110.9D58 S59 K65D58-K63 WeakPolarHBondContact O-CD 3.46Å; D58-K63 VanDerWaalsContact O-CE 3.26Å; D58-K63 WeakPolarHBondContact O-CE 3.23Å; D58-K63 PolarHBondContact O-NZ 2.94Å; D58-K63 IonicContact OD1-NZ 2.79Å; D58-K63 PolarHBondContact OD1-NZ 2.99Å; S59-K63 PolarHBondContact O-N 3.4Å; K63-K65 PolarHBondContact O-N 3.24Å; K63-K65 VanDerWaalsContact O-N 3.16Å
64A60.9Low74.3Confident68 Ų6881 Ų8156%0.56243%0.431SS*.  trans-45.4110.4-172.600000114.1A62 A70A62-A64 VanDerWaalsContact C-N 3.26Å; A62-A64 PolarHBondContact O-N 3.41Å; A64-A70 HydrophobicContact CB-CB 3.95Å
65K55.9Low74.1Confident162 Ų16282.6 Ų82.670%0.70443%0.433SS*.  trans-77.2142.4166.5-100.1-178.6176.61770110.3K63 G67 E68K63-K65 PolarHBondContact O-N 3.24Å; K63-K65 VanDerWaalsContact O-N 3.16Å; K65-G67 VanDerWaalsContact C-N 3.31Å; K65-G67 PolarHBondContact O-N 3.16Å; K65-E68 PolarHBondContact O-N 3.4Å
66K41.6Very low74.1Confident228 Ų22889.1 Ų89.199%0.99146%0.462SS*.THydrogen-bonded Turntrans-66.678.1-167.6-164.3178.7-172.71780112.7
67G53.3Low74.1Confident84 Ų8490.8 Ų90.887%0.86647%0.473SS*.THydrogen-bonded Turntrans144.4-12.5-178.800000115.3K65K65-G67 VanDerWaalsContact C-N 3.31Å; K65-G67 PolarHBondContact O-N 3.16Å
68E55.9Low74.1Confident150 Ų15088.2 Ų88.270%0.70146%0.46SS*.SBendtrans-105.3141.4172.9-69.2-180130.400110.1K65 A70K65-E68 PolarHBondContact O-N 3.4Å; E68-A70 PolarHBondContact O-N 2.9Å
69E59.3Low74.3Confident189 Ų18984.8 Ų84.888%0.88344%0.443SS*.  trans-70.2126.6176-64.8-173.7161.600110.2L71E69-L71 PolarHBondContact O-N 3.41Å; E69-L71 VanDerWaalsContact O-N 3.13Å
70A69.9Low74.5Confident34 Ų3490 Ų9028%0.28147%0.47SS..  trans-69.3110.4176.800000110A64 E68 F72 T73A64-A70 HydrophobicContact CB-CB 3.95Å; E68-A70 PolarHBondContact O-N 2.9Å; A70-F72 PolarHBondContact O-N 2.97Å; A70-T73 HydrophobicContact CB-CG2 4.07Å
71L71.6Confident74.7Confident55 Ų5583.2 Ų83.229%0.28844%0.441SS..SBendtrans-66.4-21.6177.9-68.5168.7000112.5W61 E69 S77 Y81W61-L71 HydrophobicContact CB-CB 4.36Å; W61-L71 HydrophobicContact CB-CD1 4.42Å; W61-L71 HydrophobicContact CG-CD1 4.26Å; W61-L71 PolarHBondContact O-N 3.23Å; W61-L71 VanDerWaalsContact O-N 3.08Å; E69-L71 PolarHBondContact O-N 3.41Å; E69-L71 VanDerWaalsContact O-N 3.13Å; L71-S77 PolarHBondContact O-OG 2.94Å; L71-Y81 HydrophobicContact CD1-CE2 4.43Å
72F81.6Confident75Confident4 Ų481.3 Ų81.32%0.01843%0.434CS..  trans-127.384.2-175.7-55.8-41.9000111V24 L56 W61 A62 A70 V78 Y81V24-F72 HydrophobicContact CG1-CE2 4.43Å; V24-F72 HydrophobicContact CG1-CZ 3.97Å; V24-F72 HydrophobicContact CG2-CZ 4.42Å; L56-F72 HydrophobicContact CB-CD2 4.23Å; L56-F72 HydrophobicContact CB-CE2 4.13Å; L56-F72 HydrophobicContact CD1-CZ 4.4Å; L56-F72 HydrophobicContact CD2-CE2 3.89Å; L56-F72 HydrophobicContact CD2-CZ 4.24Å; L56-F72 HydrophobicContact CG-CE2 4.44Å; L56-F72 WeakPolarHBondContact O-CD2 3.36Å; W61-F72 HydrophobicContact CB-CD2 3.57Å; W61-F72 HydrophobicContact CB-CE2 3.59Å; W61-F72 HydrophobicContact CE3-CE2 4.41Å; W61-F72 HydrophobicContact CG-CE2 4.33Å; W61-F72 PolarHBondContact O-N 2.95Å; A62-F72 WeakPolarHBondContact CA-O 3.39Å; A62-F72 HydrophobicContact CB-CB 3.85Å; A62-F72 WeakPolarHBondContact CB-O 3.41Å; A70-F72 PolarHBondContact O-N 2.97Å; F72-V78 HydrophobicContact CB-CG2 3.74Å; F72-V78 HydrophobicContact CD1-CB 4.34Å; F72-V78 HydrophobicContact CD1-CG2 3.69Å; F72-V78 HydrophobicContact CG-CG2 3.78Å; F72-Y81 HydrophobicContact CE1-CD1 4.12Å; F72-Y81 AromaticContact CE1-CD2 3.64Å; F72-Y81 HydrophobicContact CE1-CD2 3.64Å; F72-Y81 HydrophobicContact CE1-CE2 4.3Å; F72-Y81 AromaticContact CE1-CG 3.56Å; F72-Y81 HydrophobicContact CE1-CG 3.56Å; F72-Y81 HydrophobicContact CZ-CD1 4.22Å; F72-Y81 HydrophobicContact CZ-CD2 4.18Å; F72-Y81 HydrophobicContact CZ-CE1 4.48Å; F72-Y81 HydrophobicContact CZ-CE2 4.45Å; F72-Y81 HydrophobicContact CZ-CG 4.09Å
73T81.6Confident75.5Confident104 Ų10481.3 Ų81.364%0.63843%0.431SS*.SBendtrans-91-27.9177.952.10000113.6A70A70-T73 HydrophobicContact CB-CG2 4.07Å
74T86.1Confident76.2Confident65 Ų6581.1 Ų81.140%0.39943%0.427SS..SBendtrans-139160.2179.866.90000111E76 S77 V78T74-E76 PolarHBondContact O-N 2.9Å; T74-S77 WeakPolarHBondContact O-CB 3.3Å; T74-S77 PolarHBondContact O-N 3.21Å; T74-S77 PolarHBondContact OG1-N 3.45Å; T74-S77 VanDerWaalsContact OG1-N 3.11Å; T74-V78 PolarHBondContact O-N 3.32Å
75R86.7Confident77.5Confident96 Ų9677.9 Ų77.936%0.36240%0.4SS..Hα-helixtrans-55.4-38.9173.8-157.1170.8173.6109.513.7111.9V53 D54 L57 V78 V79 D176V53-R75 HydrophobicContact CG1-CG 3.47Å; V53-R75 VanDerWaalsContact CG1-CG 3.47Å; D54-R75 IonicContact OD1-CZ 3.15Å; D54-R75 IonicContact OD1-NH1 3.26Å; D54-R75 PolarHBondContact OD1-NH1 3.11Å; D54-R75 IonicContact OD1-NH2 2.78Å; D54-R75 PolarHBondContact OD1-NH2 2.89Å; D54-R75 IonicContact OD2-NH1 3.07Å; D54-R75 IonicContact OD2-NH2 3.72Å; L57-R75 HydrophobicContact CD1-CB 4.44Å; L57-R75 HydrophobicContact CD1-CG 4.28Å; R75-V78 PolarHBondContact O-N 3.38Å; R75-V79 WeakPolarHBondContact O-CG2 3.11Å; R75-V79 PolarHBondContact O-N 3.47Å; R75-V79 VanDerWaalsContact O-N 3.1Å; R75-D176 WeakPolarHBondContact CD-OD2 3.15Å; R75-D176 IonicContact CZ-OD1 3.13Å; R75-D176 IonicContact CZ-OD2 3.67Å; R75-D176 IonicContact NE-OD1 2.68Å; R75-D176 IonicContact NE-OD2 2.76Å; R75-D176 PolarHBondContact NE-OD2 2.6Å; R75-D176 IonicContact NH2-OD1 3.63Å; R75-D176 PolarHBondContact NH2-OD1 3.24Å; R75-D176 IonicContact NH2-OD2 3.49Å
76E88.3Confident79Confident152 Ų15270.3 Ų70.371%0.7137%0.367SS*.Hα-helixtrans-64.5-40.7174.9-60.1175.2159.100112.7T74 V78 V79 D80T74-E76 PolarHBondContact O-N 2.9Å; E76-V78 VanDerWaalsContact C-N 3.31Å; E76-V78 PolarHBondContact O-N 2.9Å; E76-V79 WeakPolarHBondContact O-CB 3.42Å; E76-V79 PolarHBondContact O-N 2.92Å; E76-V79 VanDerWaalsContact O-N 3.13Å; E76-D80 PolarHBondContact O-N 3.45Å
77S88.6Confident81Confident35 Ų3565.8 Ų65.825%0.24535%0.347CS..Hα-helixtrans-62.3-38.4176.7-172.40000112.2L71 T74 D80 Y81L71-S77 PolarHBondContact O-OG 2.94Å; T74-S77 WeakPolarHBondContact O-CB 3.3Å; T74-S77 PolarHBondContact O-N 3.21Å; T74-S77 PolarHBondContact OG1-N 3.45Å; T74-S77 VanDerWaalsContact OG1-N 3.11Å; S77-D80 PolarHBondContact O-N 2.87Å; S77-Y81 PolarHBondContact O-N 3.22Å
78V88.3Confident82.5Confident0 Ų063.2 Ų63.20%031%0.313CS..Hα-helixtrans-64.1-44.2172.1-177.90000110.9V53 L56 L57 F72 T74 R75 E76 D80 Y81 C82V53-V78 HydrophobicContact CB-CG1 4.29Å; V53-V78 HydrophobicContact CG1-CB 4.29Å; V53-V78 HydrophobicContact CG1-CG1 4.14Å; V53-V78 HydrophobicContact CG2-CG1 4.12Å; L56-V78 HydrophobicContact CB-CG1 3.76Å; L56-V78 HydrophobicContact CB-CG2 4.48Å; L56-V78 HydrophobicContact CD1-CG1 3.65Å; L56-V78 HydrophobicContact CG-CG1 4.35Å; L57-V78 HydrophobicContact CD2-CG2 3.71Å; L57-V78 HydrophobicContact CG-CG2 4.05Å; F72-V78 HydrophobicContact CB-CG2 3.74Å; F72-V78 HydrophobicContact CD1-CB 4.34Å; F72-V78 HydrophobicContact CD1-CG2 3.69Å; F72-V78 HydrophobicContact CG-CG2 3.78Å; T74-V78 PolarHBondContact O-N 3.32Å; R75-V78 PolarHBondContact O-N 3.38Å; E76-V78 VanDerWaalsContact C-N 3.31Å; E76-V78 PolarHBondContact O-N 2.9Å; V78-D80 PolarHBondContact O-N 2.66Å; V78-Y81 PolarHBondContact O-N 3.3Å; V78-C82 WeakPolarHBondContact O-CB 3.44Å; V78-C82 PolarHBondContact O-N 3.02Å; V78-C82 PolarHBondContact O-SG 3.09Å
79V89.9Confident83.8Confident27 Ų2758.9 Ų58.916%0.16429%0.292CS..Hα-helixtrans-59.6-43176.8167.80000111.8V53 R75 E76 C82 N83 F174 D176V53-V79 HydrophobicContact CG2-CG2 4.27Å; R75-V79 WeakPolarHBondContact O-CG2 3.11Å; R75-V79 PolarHBondContact O-N 3.47Å; R75-V79 VanDerWaalsContact O-N 3.1Å; E76-V79 WeakPolarHBondContact O-CB 3.42Å; E76-V79 PolarHBondContact O-N 2.92Å; E76-V79 VanDerWaalsContact O-N 3.13Å; V79-C82 PolarHBondContact O-N 3.07Å; V79-N83 WeakPolarHBondContact O-CB 3.44Å; V79-N83 PolarHBondContact O-N 3.05Å; V79-N83 PolarHBondContact O-ND2 3.09Å; V79-F174 HydrophobicContact CB-CD1 4.43Å; V79-F174 HydrophobicContact CG1-CD1 4.26Å; V79-F174 HydrophobicContact CG2-CD1 4.32Å; V79-F174 HydrophobicContact CG2-CE1 4.2Å; V79-D176 HydrophobicContact CG2-CB 3.83Å
80D89.1Confident85Confident110 Ų11050.1 Ų50.159%0.58825%0.251SS*.Hα-helixtrans-67.7-33.2175.5-91.6-18.5000113.1E76 S77 V78 R84E76-D80 PolarHBondContact O-N 3.45Å; S77-D80 PolarHBondContact O-N 2.87Å; V78-D80 PolarHBondContact O-N 2.66Å; D80-R84 PolarHBondContact O-N 2.78Å
81Y88.2Confident85.9Confident4 Ų448.5 Ų48.52%0.01624%0.238CC..Hα-helixtrans-69.5-44.3172.3-160.5-72000111.6E21 V24 L71 F72 S77 V78 N83 R84 L85E21-Y81 WeakPolarHBondContact CA-OH 3.38Å; E21-Y81 HydrophobicContact CG-CE1 4.41Å; E21-Y81 WeakPolarHBondContact CG-OH 3.4Å; V24-Y81 HydrophobicContact CB-CE1 4.17Å; V24-Y81 HydrophobicContact CG1-CD1 4.36Å; V24-Y81 HydrophobicContact CG1-CE1 3.81Å; V24-Y81 HydrophobicContact CG2-CE1 4.35Å; L71-Y81 HydrophobicContact CD1-CE2 4.43Å; F72-Y81 HydrophobicContact CE1-CD1 4.12Å; F72-Y81 AromaticContact CE1-CD2 3.64Å; F72-Y81 HydrophobicContact CE1-CD2 3.64Å; F72-Y81 HydrophobicContact CE1-CE2 4.3Å; F72-Y81 AromaticContact CE1-CG 3.56Å; F72-Y81 HydrophobicContact CE1-CG 3.56Å; F72-Y81 HydrophobicContact CZ-CD1 4.22Å; F72-Y81 HydrophobicContact CZ-CD2 4.18Å; F72-Y81 HydrophobicContact CZ-CE1 4.48Å; F72-Y81 HydrophobicContact CZ-CE2 4.45Å; F72-Y81 HydrophobicContact CZ-CG 4.09Å; S77-Y81 PolarHBondContact O-N 3.22Å; V78-Y81 PolarHBondContact O-N 3.3Å; Y81-N83 VanDerWaalsContact C-N 3.28Å; Y81-N83 PolarHBondContact O-N 3.05Å; Y81-R84 VanDerWaalsContact CD2-NH2 3.29Å; Y81-R84 WeakPolarHBondContact O-CA 3.24Å; Y81-R84 WeakPolarHBondContact O-CB 3.42Å; Y81-R84 PolarHBondContact O-N 3.43Å; Y81-L85 HydrophobicContact CD1-CD1 3.83Å; Y81-L85 HydrophobicContact CD1-CG 3.89Å; Y81-L85 HydrophobicContact CE1-CD1 3.91Å; Y81-L85 HydrophobicContact CE1-CD2 4.05Å; Y81-L85 HydrophobicContact CE1-CG 3.87Å; Y81-L85 PolarHBondContact O-N 2.85Å
82C88.6Confident86.5Confident0 Ų048.2 Ų48.20%024%0.235CC..Hα-helixtrans-63.2-34.5175-73.10000112V78 V79 R84 L85 L86 F91 F174V78-C82 WeakPolarHBondContact O-CB 3.44Å; V78-C82 PolarHBondContact O-N 3.02Å; V78-C82 PolarHBondContact O-SG 3.09Å; V79-C82 PolarHBondContact O-N 3.07Å; C82-R84 VanDerWaalsContact C-N 3.28Å; C82-R84 PolarHBondContact O-N 3.06Å; C82-L85 PolarHBondContact O-N 2.84Å; C82-L86 VanDerWaalsContact O-CB 3.31Å; C82-L86 WeakPolarHBondContact O-CB 3.39Å; C82-L86 PolarHBondContact O-N 3.46Å; C82-F91 HydrophobicContact CB-CZ 4.24Å; C82-F174 HydrophobicContact CB-CB 4.1Å; C82-F174 HydrophobicContact CB-CD1 3.35Å; C82-F174 HydrophobicContact CB-CD2 3.79Å; C82-F174 HydrophobicContact CB-CE1 3.56Å; C82-F174 HydrophobicContact CB-CE2 3.98Å; C82-F174 HydrophobicContact CB-CG 3.46Å; C82-F174 VanDerWaalsContact CB-CG 3.46Å; C82-F174 HydrophobicContact CB-CZ 3.87Å
83N88.9Confident86.7Confident19 Ų1948.9 Ų48.910%0.10224%0.237CC..Hα-helixtrans-62.4-31169.1-87.4-73.2000113.1V79 Y81 K87 F174V79-N83 WeakPolarHBondContact O-CB 3.44Å; V79-N83 PolarHBondContact O-N 3.05Å; V79-N83 PolarHBondContact O-ND2 3.09Å; Y81-N83 VanDerWaalsContact C-N 3.28Å; Y81-N83 PolarHBondContact O-N 3.05Å; N83-K87 WeakPolarHBondContact O-CB 3.41Å; N83-K87 WeakPolarHBondContact O-CD 3.49Å; N83-K87 VanDerWaalsContact O-CG 3.23Å; N83-K87 WeakPolarHBondContact O-CG 3.19Å; N83-K87 PolarHBondContact O-N 3.15Å; N83-F174 PolarHBondContact ND2-O 3.21Å; N83-F174 PolarHBondContact OD1-N 3.38Å
84R86.9Confident86.7Confident118 Ų11844 Ų4445%0.44521%0.208SC..Hα-helixtrans-73.1-42.3170.9-71.4-177.6-79.9157.1-12.3112.3D80 Y81 C82 L86 K87 K88D80-R84 PolarHBondContact O-N 2.78Å; Y81-R84 VanDerWaalsContact CD2-NH2 3.29Å; Y81-R84 WeakPolarHBondContact O-CA 3.24Å; Y81-R84 WeakPolarHBondContact O-CB 3.42Å; Y81-R84 PolarHBondContact O-N 3.43Å; C82-R84 VanDerWaalsContact C-N 3.28Å; C82-R84 PolarHBondContact O-N 3.06Å; R84-L86 PolarHBondContact O-N 2.78Å; R84-K87 PolarHBondContact O-N 3.23Å; R84-K88 WeakPolarHBondContact O-CB 3.48Å; R84-K88 PolarHBondContact O-N 2.79Å
85L87Confident86.1Confident0 Ų044.3 Ų44.30%021%0.207CC..Hα-helixtrans-62.2-40.1175.4-69.2174000112.4E21 V24 A25 Y81 C82 K88 Q89 F90 F91E21-L85 HydrophobicContact CB-CD2 4.07Å; E21-L85 HydrophobicContact CG-CD2 4.45Å; V24-L85 HydrophobicContact CG1-CD1 4.22Å; A25-L85 HydrophobicContact CB-CD2 4.37Å; Y81-L85 HydrophobicContact CD1-CD1 3.83Å; Y81-L85 HydrophobicContact CD1-CG 3.89Å; Y81-L85 HydrophobicContact CE1-CD1 3.91Å; Y81-L85 HydrophobicContact CE1-CD2 4.05Å; Y81-L85 HydrophobicContact CE1-CG 3.87Å; Y81-L85 PolarHBondContact O-N 2.85Å; C82-L85 PolarHBondContact O-N 2.84Å; L85-K88 CarbonylContact O-C 3.56Å; L85-K88 VanDerWaalsContact O-C 3.23Å; L85-K88 WeakPolarHBondContact O-CA 3.2Å; L85-K88 PolarHBondContact O-N 2.88Å; L85-K88 VanDerWaalsContact O-N 3.11Å; L85-Q89 PolarHBondContact O-N 2.94Å; L85-Q89 VanDerWaalsContact O-N 3.09Å; L85-F90 HydrophobicContact CB-CB 4.5Å; L85-F90 HydrophobicContact CB-CD2 4.25Å; L85-F90 HydrophobicContact CD2-CD2 3.67Å; L85-F90 HydrophobicContact CD2-CE2 3.7Å; L85-F90 HydrophobicContact CD2-CG 4.21Å; L85-F90 HydrophobicContact CD2-CZ 4.29Å; L85-F90 WeakPolarHBondContact O-CD2 3.46Å; L85-F90 PolarHBondContact O-N 3.47Å; L85-F91 HydrophobicContact CB-CE1 3.69Å; L85-F91 HydrophobicContact CB-CZ 3.79Å; L85-F91 HydrophobicContact CD1-CE1 4.15Å
86L86.9Confident85.3Confident3 Ų343.7 Ų43.72%0.01621%0.206CC..Hα-helixtrans-66.4-45.1177.4-164162.6000111.3C82 R84 K88 Q89 F91 Q172 F174 Y181C82-L86 VanDerWaalsContact O-CB 3.31Å; C82-L86 WeakPolarHBondContact O-CB 3.39Å; C82-L86 PolarHBondContact O-N 3.46Å; R84-L86 PolarHBondContact O-N 2.78Å; L86-K88 PolarHBondContact O-N 2.87Å; L86-Q89 WeakPolarHBondContact O-CA 3.46Å; L86-Q89 PolarHBondContact O-N 3.39Å; L86-Q89 PolarHBondContact O-NE2 3.41Å; L86-F91 HydrophobicContact CB-CD2 4.18Å; L86-F91 HydrophobicContact CB-CE2 3.72Å; L86-F91 HydrophobicContact CB-CZ 4.41Å; L86-F91 HydrophobicContact CD1-CD2 4.3Å; L86-F91 HydrophobicContact CD1-CE2 4.07Å; L86-F91 HydrophobicContact CG-CD2 4.15Å; L86-F91 HydrophobicContact CG-CE2 4.07Å; L86-Q172 HydrophobicContact CD2-CB 3.77Å; L86-Q172 WeakPolarHBondContact CD2-O 3.5Å; L86-F174 HydrophobicContact CD1-CB 3.99Å; L86-Y181 HydrophobicContact CD1-CD1 3.98Å; L86-Y181 HydrophobicContact CD1-CE1 3.75Å
87K84.3Confident84Confident132 Ų13238.7 Ų38.757%0.57419%0.186SC*.Hα-helixtrans-59-30.9169.5-73.2167.9-173.61700112.5V14 N83 R84 Q89V14-K87 WeakPolarHBondContact CG2-O 3.49Å; N83-K87 WeakPolarHBondContact O-CB 3.41Å; N83-K87 WeakPolarHBondContact O-CD 3.49Å; N83-K87 VanDerWaalsContact O-CG 3.23Å; N83-K87 WeakPolarHBondContact O-CG 3.19Å; N83-K87 PolarHBondContact O-N 3.15Å; R84-K87 PolarHBondContact O-N 3.23Å; K87-Q89 VanDerWaalsContact C-N 3.27Å; K87-Q89 PolarHBondContact O-N 2.78Å
88K84.9Confident82.4Confident31 Ų3142.8 Ų42.814%0.13520%0.203CC..THydrogen-bonded Turntrans-85.110.9172.7-75.4179.9168.6179.70114.8V14 S15 P17 E21 R84 L85 L86 F90V14-K88 HydrophobicContact CG1-CB 4.21Å; V14-K88 HydrophobicContact CG1-CG 3.82Å; S15-K88 VanDerWaalsContact O-CE 3.32Å; S15-K88 WeakPolarHBondContact O-CE 3.32Å; S15-K88 VanDerWaalsContact OG-CE 3.29Å; S15-K88 WeakPolarHBondContact OG-CE 3.37Å; P17-K88 HydrophobicContact CB-CD 4.34Å; P17-K88 HydrophobicContact CG-CB 4.43Å; P17-K88 HydrophobicContact CG-CD 4.4Å; E21-K88 IonicContact OE1-NZ 2.73Å; E21-K88 PolarHBondContact OE1-NZ 3.01Å; E21-K88 VanDerWaalsContact OE2-CD 3.28Å; E21-K88 WeakPolarHBondContact OE2-CD 3.44Å; E21-K88 IonicContact OE2-NZ 2.63Å; E21-K88 PolarHBondContact OE2-NZ 3.01Å; R84-K88 WeakPolarHBondContact O-CB 3.48Å; R84-K88 PolarHBondContact O-N 2.79Å; L85-K88 CarbonylContact O-C 3.56Å; L85-K88 VanDerWaalsContact O-C 3.23Å; L85-K88 WeakPolarHBondContact O-CA 3.2Å; L85-K88 PolarHBondContact O-N 2.88Å; L85-K88 VanDerWaalsContact O-N 3.11Å; L86-K88 PolarHBondContact O-N 2.87Å; K88-F90 HydrophobicContact CB-CD2 3.79Å; K88-F90 HydrophobicContact CB-CE2 3.82Å; K88-F90 PolarHBondContact O-N 3.37Å
89Q83.4Confident80.6Confident58 Ų5849.4 Ų49.427%0.27123%0.232SC..THydrogen-bonded Turntrans63.120168.7-51.2-78.4-102.400114.7L85 L86 K87 F91 H92L85-Q89 PolarHBondContact O-N 2.94Å; L85-Q89 VanDerWaalsContact O-N 3.09Å; L86-Q89 WeakPolarHBondContact O-CA 3.46Å; L86-Q89 PolarHBondContact O-N 3.39Å; L86-Q89 PolarHBondContact O-NE2 3.41Å; K87-Q89 VanDerWaalsContact C-N 3.27Å; K87-Q89 PolarHBondContact O-N 2.78Å; Q89-F91 VanDerWaalsContact C-N 3.25Å; Q89-F91 PolarHBondContact O-N 3.43Å; Q89-H92 PolarHBondContact NE2-CE1 3.14Å; Q89-H92 PolarHBondContact NE2-NE2 2.78Å; Q89-H92 VanDerWaalsContact NE2-NE2 3.18Å; Q89-H92 PolarHBondContact OE1-CE1 3.49Å; Q89-H92 PolarHBondContact OE1-NE2 3.46Å
90F85Confident78.3Confident6 Ų656.6 Ų56.63%0.02626%0.261CS..SBendtrans-63.6-33.5173.8-77.4-91.4000112.4P17 E21 K22 A25 L85 K88 I184 Y185P17-F90 HydrophobicContact CB-CE2 3.6Å; P17-F90 HydrophobicContact CB-CZ 3.48Å; P17-F90 VanDerWaalsContact CB-CZ 3.48Å; P17-F90 HydrophobicContact CG-CE2 3.83Å; P17-F90 HydrophobicContact CG-CZ 3.95Å; E21-F90 HydrophobicContact CB-CE2 4.48Å; E21-F90 HydrophobicContact CB-CZ 4.42Å; K22-F90 HydrophobicContact CG-CE1 4.3Å; K22-F90 HydrophobicContact CG-CZ 4.03Å; A25-F90 HydrophobicContact CB-CD1 3.24Å; A25-F90 HydrophobicContact CB-CE1 3.35Å; A25-F90 HydrophobicContact CB-CG 4.02Å; A25-F90 HydrophobicContact CB-CZ 4.16Å; L85-F90 HydrophobicContact CB-CB 4.5Å; L85-F90 HydrophobicContact CB-CD2 4.25Å; L85-F90 HydrophobicContact CD2-CD2 3.67Å; L85-F90 HydrophobicContact CD2-CE2 3.7Å; L85-F90 HydrophobicContact CD2-CG 4.21Å; L85-F90 HydrophobicContact CD2-CZ 4.29Å; L85-F90 WeakPolarHBondContact O-CD2 3.46Å; L85-F90 PolarHBondContact O-N 3.47Å; K88-F90 HydrophobicContact CB-CD2 3.79Å; K88-F90 HydrophobicContact CB-CE2 3.82Å; K88-F90 PolarHBondContact O-N 3.37Å; F90-I184 PolarHBondContact O-N 3.01Å; F90-Y185 AromaticContact CD1-CD1 3.68Å; F90-Y185 HydrophobicContact CD1-CD1 3.68Å; F90-Y185 AromaticContact CD1-CD2 3.95Å; F90-Y185 HydrophobicContact CD1-CD2 3.95Å; F90-Y185 HydrophobicContact CD1-CE1 4.34Å; F90-Y185 AromaticContact CD1-CG 3.44Å; F90-Y185 HydrophobicContact CD1-CG 3.44Å; F90-Y185 VanDerWaalsContact CD1-CG 3.44Å; F90-Y185 AromaticContact CE1-CD1 3.97Å; F90-Y185 HydrophobicContact CE1-CD1 3.97Å; F90-Y185 AromaticContact CE1-CD2 3.94Å; F90-Y185 HydrophobicContact CE1-CD2 3.94Å; F90-Y185 HydrophobicContact CE1-CE1 4.17Å; F90-Y185 HydrophobicContact CE1-CE2 4.18Å; F90-Y185 AromaticContact CE1-CG 3.83Å; F90-Y185 HydrophobicContact CE1-CG 3.83Å; F90-Y185 PolarHBondContact O-N 2.95Å
91F87.7Confident75.8Confident0 Ų060.3 Ų60.30%027%0.271CS..EExtended strand (participates in β ladder)trans-151.9163.7175.849-99.1000109.4L28 F47 C82 L85 L86 Q89 F174 Y181 V182 W183L28-F91 HydrophobicContact CD2-CE1 4.4Å; F47-F91 HydrophobicContact CE1-CB 3.84Å; F47-F91 HydrophobicContact CE1-CD1 4.09Å; F47-F91 HydrophobicContact CE1-CD2 4.42Å; F47-F91 AromaticContact CE1-CG 3.88Å; F47-F91 HydrophobicContact CE1-CG 3.88Å; F47-F91 HydrophobicContact CZ-CB 4.17Å; F47-F91 AromaticContact CZ-CD1 3.82Å; F47-F91 HydrophobicContact CZ-CD1 3.82Å; F47-F91 AromaticContact CZ-CD2 3.9Å; F47-F91 HydrophobicContact CZ-CD2 3.9Å; F47-F91 HydrophobicContact CZ-CE1 4.12Å; F47-F91 HydrophobicContact CZ-CE2 4.18Å; F47-F91 AromaticContact CZ-CG 3.7Å; F47-F91 HydrophobicContact CZ-CG 3.7Å; F47-F91 HydrophobicContact CZ-CZ 4.29Å; C82-F91 HydrophobicContact CB-CZ 4.24Å; L85-F91 HydrophobicContact CB-CE1 3.69Å; L85-F91 HydrophobicContact CB-CZ 3.79Å; L85-F91 HydrophobicContact CD1-CE1 4.15Å; L86-F91 HydrophobicContact CB-CD2 4.18Å; L86-F91 HydrophobicContact CB-CE2 3.72Å; L86-F91 HydrophobicContact CB-CZ 4.41Å; L86-F91 HydrophobicContact CD1-CD2 4.3Å; L86-F91 HydrophobicContact CD1-CE2 4.07Å; L86-F91 HydrophobicContact CG-CD2 4.15Å; L86-F91 HydrophobicContact CG-CE2 4.07Å; Q89-F91 VanDerWaalsContact C-N 3.25Å; Q89-F91 PolarHBondContact O-N 3.43Å; F91-F174 AromaticContact CE2-CD2 3.85Å; F91-F174 HydrophobicContact CE2-CD2 3.85Å; F91-F174 HydrophobicContact CE2-CE2 4.34Å; F91-F174 HydrophobicContact CZ-CD2 4.35Å; F91-Y181 AromaticContact CD2-CD1 3.97Å; F91-Y181 HydrophobicContact CD2-CD1 3.97Å; F91-Y181 HydrophobicContact CD2-CG 4.33Å; F91-Y181 HydrophobicContact CE2-CD1 4.24Å; F91-V182 CarbonylContact C-O 3.55Å; F91-V182 WeakPolarHBondContact CA-O 3.26Å; F91-V182 WeakPolarHBondContact CB-O 3.27Å; F91-W183 HydrophobicContact CB-CE3 4.21Å; F91-W183 HydrophobicContact CD1-CE3 4.21Å; F91-W183 HydrophobicContact CD1-CH2 4.33Å; F91-W183 AromaticContact CD1-CZ3 3.77Å; F91-W183 HydrophobicContact CD1-CZ3 3.77Å
92H85.5Confident73.5Confident48 Ų4865.4 Ų65.422%0.22231%0.305CS..EExtended strand (participates in β ladder)trans-128.1147.5174.6-80.465.3000111.1Q89 Y181 V182 I184Q89-H92 PolarHBondContact NE2-CE1 3.14Å; Q89-H92 PolarHBondContact NE2-NE2 2.78Å; Q89-H92 VanDerWaalsContact NE2-NE2 3.18Å; Q89-H92 PolarHBondContact OE1-CE1 3.49Å; Q89-H92 PolarHBondContact OE1-NE2 3.46Å; H92-Y181 CarbonylContact O-C 3.58Å; H92-Y181 VanDerWaalsContact O-CA 3.24Å; H92-Y181 WeakPolarHBondContact O-CA 3.5Å; H92-V182 PolarHBondContact N-O 3.25Å; H92-V182 PolarHBondContact O-N 2.91Å; H92-I184 WeakPolarHBondContact ND1-CD1 3.26Å
93R84.8Confident71.3Confident18 Ų1873.7 Ų73.77%0.06834%0.344CS..EExtended strand (participates in β ladder)trans-69.5133.1172-170.4170.3166.9-141.33.2110.5H169 D171 Q172 L173 E179 Y181R93-H169 HydrophobicContact CB-CB 4.06Å; R93-H169 HydrophobicContact CG-CB 3.9Å; R93-H169 PolarHBondContact NE-CD2 3.23Å; R93-H169 PolarHBondContact NH1-CD2 3.43Å; R93-H169 PolarHBondContact NH1-CE1 2.95Å; R93-H169 PolarHBondContact NH1-NE2 3.21Å; R93-H169 VanDerWaalsContact NH1-NE2 3.16Å; R93-H169 PolarHBondContact NH2-NE2 2.93Å; R93-H169 WeakPolarHBondContact O-CB 3.35Å; R93-H169 PolarHBondContact O-N 3.35Å; R93-D171 PolarHBondContact NH1-O 2.87Å; R93-Q172 PolarHBondContact O-NE2 3.26Å; R93-L173 VanDerWaalsContact CD-O 3.31Å; R93-L173 WeakPolarHBondContact CD-O 3.32Å; R93-E179 IonicContact CZ-OE1 2.78Å; R93-E179 IonicContact CZ-OE2 3.11Å; R93-E179 VanDerWaalsContact NE-CD 3.35Å; R93-E179 IonicContact NE-OE1 3.41Å; R93-E179 IonicContact NE-OE2 3.85Å; R93-E179 PolarHBondContact NE-OE2 3.44Å; R93-E179 IonicContact NH2-OE1 3.39Å; R93-E179 PolarHBondContact NH2-OE1 2.98Å; R93-E179 IonicContact NH2-OE2 2.64Å; R93-E179 PolarHBondContact NH2-OE2 2.81Å; R93-E179 VanDerWaalsContact NH2-OE2 3.15Å; R93-Y181 HydrophobicContact CB-CD1 3.82Å; R93-Y181 HydrophobicContact CB-CE1 3.58Å; R93-Y181 HydrophobicContact CG-CD1 4.27Å; R93-Y181 HydrophobicContact CG-CE1 3.76Å
94A80.9Confident69.2Low2 Ų281.5 Ų81.52%0.01738%0.377CS..EExtended strand (participates in β ladder)trans-131.9131.9-18000000110.9M39 L166 E167 V180 V182M39-A94 HydrophobicContact CE-CB 4.38Å; M39-A94 HydrophobicContact SD-CB 4.49Å; A94-L166 HydrophobicContact CB-CB 4.26Å; A94-L166 HydrophobicContact CB-CD2 4.14Å; A94-L166 HydrophobicContact CB-CG 4.36Å; A94-E167 CarbonylContact C-O 3.23Å; A94-E167 WeakPolarHBondContact CA-O 3.49Å; A94-V180 PolarHBondContact N-O 3.5Å; A94-V180 WeakPolarHBondContact O-CB 3.32Å; A94-V182 HydrophobicContact CB-CG2 3.72Å
95L74.7Confident66.9Low72 Ų7282.9 Ų82.938%0.37739%0.393SS..EExtended strand (participates in β ladder)trans-76.9126.3175.5-73.8169.8000110.2V97 L166 E167 H169L95-V97 HydrophobicContact CB-CG2 3.96Å; L95-V97 PolarHBondContact O-N 3.06Å; L95-L166 WeakPolarHBondContact O-CA 3.24Å; L95-E167 PolarHBondContact N-O 3.21Å; L95-E167 PolarHBondContact O-N 2.81Å; L95-E167 VanDerWaalsContact O-N 3.09Å; L95-H169 VanDerWaalsContact CD2-CD2 3.42Å; L95-H169 WeakPolarHBondContact CD2-CD2 3.2Å; L95-H169 HydrophobicContact CG-CB 4.27Å; L95-H169 VanDerWaalsContact CG-CD2 3.44Å; L95-H169 WeakPolarHBondContact CG-CD2 3.37Å
96K69.3Low64.8Low83 Ų8388.1 Ų88.136%0.36144%0.437SS..EExtended strand (participates in β ladder)trans-78.769.1175.1-171.6166.7-178.81650110.6M98 F164 V180K96-M98 PolarHBondContact O-N 3.03Å; K96-F164 HydrophobicContact CD-CD1 4.15Å; K96-F164 HydrophobicContact CD-CE1 4.34Å; K96-F164 HydrophobicContact CD-CG 4.31Å; K96-F164 VanDerWaalsContact CE-CD2 3.45Å; K96-F164 HydrophobicContact CG-CB 3.99Å; K96-F164 HydrophobicContact CG-CD1 3.53Å; K96-F164 HydrophobicContact CG-CE1 4.11Å; K96-F164 HydrophobicContact CG-CG 3.81Å; K96-V180 HydrophobicContact CB-CG2 4.39Å; K96-V180 HydrophobicContact CD-CG2 4.31Å
97V61.4Low62.6Low46 Ų4697.6 Ų97.628%0.27948%0.478SS..EExtended strand (participates in β ladder)trans-66.9116.6-173.7-1760000110.6L95 K99 F164 K165 E167L95-V97 HydrophobicContact CB-CG2 3.96Å; L95-V97 PolarHBondContact O-N 3.06Å; V97-K99 PolarHBondContact O-N 3.49Å; V97-K99 VanDerWaalsContact O-N 3.16Å; V97-F164 WeakPolarHBondContact O-CA 3.3Å; V97-K165 WeakPolarHBondContact CB-O 3.46Å; V97-K165 PolarHBondContact N-O 3.34Å; V97-K165 PolarHBondContact O-N 3.15Å; V97-E167 HydrophobicContact CG2-CB 3.98Å; V97-E167 HydrophobicContact CG2-CG 4.04Å
98M54.9Low60.3Low121 Ų121100 Ų10060%0.59649%0.488SS*.EExtended strand (participates in β ladder)trans-71.6104.2169.9-70.7-169.3-161.100109.5K96 K100 K162 F164K96-M98 PolarHBondContact O-N 3.03Å; M98-K100 VanDerWaalsContact C-N 3.26Å; M98-K100 PolarHBondContact O-N 3.45Å; M98-K162 HydrophobicContact SD-CD 4.41Å; M98-F164 HydrophobicContact CE-CE1 3.94Å; M98-F164 HydrophobicContact CG-CD1 3.78Å; M98-F164 HydrophobicContact CG-CE1 3.54Å; M98-F164 HydrophobicContact SD-CE1 4.33Å
99K49.8Very low58Low140 Ų140107.3 Ų107.361%0.60952%0.523SS*.  trans-67.984.7168.1-75-166.3171.2-1730110.5V97 K101 K165V97-K99 PolarHBondContact O-N 3.49Å; V97-K99 VanDerWaalsContact O-N 3.16Å; K99-K101 PolarHBondContact O-N 3.03Å; K99-K165 HydrophobicContact CD-CB 4.13Å; K99-K165 HydrophobicContact CG-CB 4.31Å
100K41.7Very low55.6Low178 Ų178114.6 Ų114.677%0.77455%0.553SS**PPolyproline II helixtrans-60.2119.7165.2-167.1179.9-177.9-171.40107.2M98M98-K100 VanDerWaalsContact C-N 3.26Å; M98-K100 PolarHBondContact O-N 3.45Å
101K37.2Very low53.3Low187 Ų187122.3 Ų122.381%0.81359%0.59SS**PPolyproline II helixtrans-53.5132.9175.3-81.8-171.3173.7-173.60108.9K99 E103K99-K101 PolarHBondContact O-N 3.03Å; K101-E103 PolarHBondContact O-N 3.08Å
102P39.2Very low50.7Low112 Ų112132 Ų13273%0.72763%0.631SS**PPolyproline II helixtrans-66.8128.4171.127.9-32.8000109.2K104P102-K104 PolarHBondContact O-N 3.34Å
103E43.2Very low48.2Very low174 Ų174138.5 Ų138.581%0.81366%0.662SS**  trans-76.664.8175.6-69.7176.2101.400111.2K101K101-E103 PolarHBondContact O-N 3.08Å
104K43.5Very low45.6Very low183 Ų183147 Ų14780%0.79670%0.7SS**  trans-96.4107.3156.8-80.9-174.3173.2-178.80107.6P102P102-K104 PolarHBondContact O-N 3.34Å
105D40.6Very low43.3Very low147 Ų147153.4 Ų153.479%0.78674%0.738SS**  trans169.1-4.8143.4-84.9-21.8000113.2K107D105-K107 PolarHBondContact O-N 2.99Å
106A41.5Very low41.3Very low110 Ų110160.1 Ų160.191%0.90976%0.764SS**THydrogen-bonded Turntrans-66.523.8176.100000116.1
107K40.4Very low39.2Very low202 Ų202162.1 Ų162.188%0.87879%0.789SS**THydrogen-bonded Turntrans-137.514.4-174.8-143.3-170.9178.9-173.40115.8D105D105-K107 PolarHBondContact O-N 2.99Å
108K37.2Very low37.4Very low183 Ų183168 Ų16880%0.79682%0.818SS**SBendtrans-117-5.6-179.1-148.9179.1178.4-176.80116.4
109E35.7Very low35.9Very low184 Ų184166.7 Ų166.786%0.8682%0.821SS**SBendtrans-94-23.4177.6-67.3-166.2118.500114.2E111E109-E111 PolarHBondContact O-N 3.49Å
110K34.2Very low34.7Very low210 Ų210165.2 Ų165.291%0.91383%0.829SS**THydrogen-bonded Turntrans-8019.6-170.5-140.7170.2-169.61710115.7
111E35.1Very low33.9Very low169 Ų169165.1 Ų165.179%0.7983%0.828SS**THydrogen-bonded Turntrans-124.7-4.6-174.6-159.5166.4-160.500113.5E109E109-E111 PolarHBondContact O-N 3.49Å
112K34.9Very low33.2Very low202 Ų202163.7 Ų163.788%0.87882%0.824SS**SBendtrans-100.9-3.1177.6-85.1-169170.8-173.70115.9
113E33Very low32.5Very low186 Ų186165.3 Ų165.387%0.86982%0.822SS**SBendtrans-109.538.2-175.9-153.2-173.3-178.800113.4
114K29.9Very low31.7Very low197 Ų197163.1 Ų163.186%0.85781%0.812SS**  trans-139.834.9-179.2-81.5-154.3168.8-162.10115.6
115V32.8Very low30.9Very low136 Ų136160.7 Ų160.782%0.82480%0.802SS**SBendtrans-126.74.3178.3-165.90000113.5
116K32.3Very low30.2Very low212 Ų212162.9 Ų162.992%0.92280%0.804SS**SBendtrans-14284.7171.6-86.8-168.5172.5-177.90112.4
117S24.9Very low29.4Very low125 Ų125160.9 Ų160.987%0.87480%0.795SS**  trans169.869.3146-179.90000109.5
118D22.5Very low28.7Very low169 Ų169161.1 Ų161.190%0.90480%0.795SS**  trans-105107.2162.8-162.2-63.7000109.1
119S23.7Very low27.9Very low94 Ų94159.1 Ų159.166%0.65779%0.787SS**  trans-166.6140.7157.8-178.70000109.1
120S24.6Very low27.4Very low109 Ų109157 Ų15776%0.76278%0.777SS**  trans72.692162.5-55.20000118.7
121K24.6Very low27Very low176 Ų176154.3 Ų154.377%0.76577%0.765SS**  102.193.7115-161168.3-173.7175.20120.4
122E23.1Very low26.5Very low157 Ų157152 Ų15273%0.73476%0.755SS**  62152.9125.9-85.3178.1131.200124.8
123E25.3Very low26Very low146 Ų146149.8 Ų149.868%0.68275%0.745SS**  trans73.487.8149.6-68.6-84.781.700120.9
124E25.6Very low25.6Very low129 Ų129149.7 Ų149.760%0.60374%0.742SS**  81.2148.1115.3-101.9-150.3131.200126.5
125K26.8Very low25.4Very low132 Ų132147.2 Ų147.257%0.57473%0.731SS**  trans74.7114.3148-81.6170.8168.480.20122.5
126K25.2Very low25Very low192 Ų192147.3 Ų147.384%0.83572%0.722SS**  56.4131.7128.9-59.2172.5-177.6179.40119.1
127G25.1Very low24.7Very low69 Ų69142.2 Ų142.271%0.71171%0.713SS**  cis115.4153200000113.7
128K25.6Very low24.8Very low206 Ų206144.8 Ų144.890%0.89671%0.711SS**  trans67157.5-172.7-77.3-165.5172.9179.70115.5
129K22.2Very low25Very low141 Ų141142.5 Ų142.561%0.61370%0.703SS**  cis-176.5144.6-29.3-164.8-168.3177.6-1410107.4
130E24.4Very low25.1Very low141 Ų141142.4 Ų142.466%0.65971%0.708SS**  trans66.7163.8153.2-96.5169.6-177.600117.1
131K24.7Very low25.2Very low152 Ų152144.9 Ų144.966%0.66171%0.708SS**  cis-160.1137.6-7.7177.7160.8-179.1178.30112.1
132E25.5Very low25.3Very low121 Ų121142.2 Ų142.257%0.56571%0.707SS**  trans33.1137.9151.7-66.5-172.198.400125.1
133K24.2Very low25.5Very low156 Ų156144.6 Ų144.668%0.67871%0.714SS**  95.8128.2124.7-91.2170.3176.4143.60122.5
134K25.6Very low25.5Very low183 Ų183145 Ų14580%0.79671%0.714SS**  trans72.2155.6141.9-72.4-170173.4-1720118.7
135K23.8Very low25.6Very low145 Ų145145.7 Ų145.763%0.6372%0.717SS**  cis-175.3144.5-26.9-170.9-178.9178-119.60107.7
136E26.2Very low25.7Very low139 Ų139147.9 Ų147.965%0.6573%0.727SS**  trans66.8128.3165.2-81149.6172.700117.1
137S25.4Very low25.7Very low105 Ų105144.7 Ų144.773%0.73473%0.729SS**  88.3145.3102.772.60000113.2
138E25.8Very low25.6Very low178 Ų178147.6 Ų147.683%0.83273%0.728SS**  cis-154.2-172.36.6-143.6-179.6103.800112.2
139V27.2Very low25.7Very low121 Ų121146.8 Ų146.873%0.73373%0.727SS**  trans-43.6140.9-176.8167.70000119
140A26.8Very low25.9Very low92 Ų92145.1 Ų145.176%0.7673%0.734SS**  trans-178.5109.9137.700000110.1
141E27.1Very low26.2Very low162 Ų162144.2 Ų144.276%0.75774%0.74SS**  80.69482.2-81.9-99.478.500116.4
142T25.5Very low26.2Very low120 Ų120140.4 Ų140.474%0.73674%0.744SS**  68.2109.1127.8-54.50000121.8
143K27.1Very low26.4Very low206 Ų206141.2 Ų141.290%0.89676%0.757SS**  trans-153.5142.4140.5-137.5173.8-173.81780115.9
144K26.5Very low26.8Very low156 Ų156139.6 Ų139.668%0.67876%0.762SS**  trans-61.5165.1165.1-77.9172.6139.7-129.70112.5
145E28.1Very low27.1Very low142 Ų142140.5 Ų140.566%0.66477%0.766SS**  cis-157.11533.7-128.2154.2166.200113
146K27.1Very low27.5Very low178 Ų178143.3 Ų143.377%0.77478%0.779SS**  trans22.4119.9143.6-145178.8-169.9-171.50120.4
147S24.9Very low27.9Very low126 Ų126146.1 Ų146.188%0.88179%0.788SS**  trans-129.7141.7141.759.80000108.7
148D24Very low28.3Very low130 Ų130150.2 Ų150.270%0.69579%0.793SS**  trans-103.1128.6-169.7-156.8-69000110.6
149E26.6Very low29Very low189 Ų189150.3 Ų150.388%0.88379%0.793SS**  trans-161.7137.1146.7-159.4153.980.900110.5
150S27.3Very low29.8Very low106 Ų106150.4 Ų150.474%0.74179%0.794SS**  trans-136126.4172.4-178.90000107.6
151P29.8Very low30.7Very low122 Ų122155.6 Ų155.679%0.79280%0.799SS**  -146.8148.5101.736.8-21.6000114.9
152G26Very low31.9Very low72 Ų72154.3 Ų154.374%0.74279%0.791SS**  trans162.7104.7166.600000114.1
153T30.2Very low33Very low137 Ų137157.6 Ų157.684%0.8480%0.796SS**PPolyproline II helixtrans-67.5146179.244.50000112.5K155T153-K155 PolarHBondContact O-N 2.9Å
154P32.3Very low34.6Very low122 Ų122151.2 Ų151.279%0.79277%0.768SS**PPolyproline II helixtrans-70.8121.5-17628-34.2000111.1K156P154-K156 PolarHBondContact O-N 3.17Å; P154-K156 VanDerWaalsContact O-N 3.11Å
155K31.7Very low36.1Very low203 Ų203146.2 Ų146.288%0.88375%0.746SS**PPolyproline II helixtrans-57.8118.9170.2-77.9-176.6175177.40109.5T153 K157T153-K155 PolarHBondContact O-N 2.9Å; K155-K157 PolarHBondContact O-N 3.14Å; K155-K157 VanDerWaalsContact O-N 3.11Å
156K32.1Very low38Very low204 Ų204139.6 Ų139.689%0.88772%0.716SS**  trans-43.4118178.7-66-172.9178.9-172.60109.7P154 K158P154-K156 PolarHBondContact O-N 3.17Å; P154-K156 VanDerWaalsContact O-N 3.11Å; K156-K158 VanDerWaalsContact C-N 3.31Å; K156-K158 PolarHBondContact O-N 2.83Å
157K34Very low39.9Very low197 Ų197135.3 Ų135.386%0.85770%0.698SS**  trans-65.197.1167.3-78.1179179.7170.60106.6K155 E159K155-K157 PolarHBondContact O-N 3.14Å; K155-K157 VanDerWaalsContact O-N 3.11Å; K157-E159 PolarHBondContact O-N 3.2Å
158K34.1Very low42.1Very low192 Ų192132.8 Ų132.884%0.83568%0.679SS**  trans-54.6106.5178.4-176.2170-174.8168.10108.2K156 V160K156-K158 VanDerWaalsContact C-N 3.31Å; K156-K158 PolarHBondContact O-N 2.83Å; K158-V160 PolarHBondContact O-N 2.81Å
159E41Very low44.2Very low179 Ų179128 Ų12884%0.83665%0.652SS**  trans-62.5102.2177.5-71.9-120.7114.800107.9K157 K161K157-E159 PolarHBondContact O-N 3.2Å; E159-K161 VanDerWaalsContact C-N 3.25Å; E159-K161 PolarHBondContact O-N 2.84Å
160V42.8Very low45.5Very low123 Ų123127.9 Ų127.975%0.74565%0.651SS**  trans-67.692.5171.3178.30000105.7K158 K162K158-V160 PolarHBondContact O-N 2.81Å; V160-K162 VanDerWaalsContact C-N 3.33Å; V160-K162 WeakPolarHBondContact O-CA 3.4Å; V160-K162 WeakPolarHBondContact O-CG 3.12Å; V160-K162 PolarHBondContact O-N 2.94Å
161K45.8Very low47.4Very low201 Ų201127.7 Ų127.787%0.87464%0.642SS**  trans-43.196.6178.6-80.1-170.6175.9-176.20108E159 K163E159-K161 VanDerWaalsContact C-N 3.25Å; E159-K161 PolarHBondContact O-N 2.84Å; K161-K163 PolarHBondContact O-N 3.2Å
162K52.6Low49.5Very low135 Ų135124.4 Ų124.459%0.58762%0.616SS**  trans-70107.8-171.4-72.9176.7-175.4164.60106.4M98 V160 F164M98-K162 HydrophobicContact SD-CD 4.41Å; V160-K162 VanDerWaalsContact C-N 3.33Å; V160-K162 WeakPolarHBondContact O-CA 3.4Å; V160-K162 WeakPolarHBondContact O-CG 3.12Å; V160-K162 PolarHBondContact O-N 2.94Å; K162-F164 HydrophobicContact CB-CE2 4.03Å; K162-F164 HydrophobicContact CB-CZ 4.06Å; K162-F164 WeakPolarHBondContact O-CD2 3.27Å; K162-F164 VanDerWaalsContact O-CE2 3.31Å; K162-F164 WeakPolarHBondContact O-CE2 3.47Å; K162-F164 PolarHBondContact O-N 3.32Å
163K48.8Very low52.1Low190 Ų190125 Ų12583%0.82660%0.602SS**  trans-69.384.1177.6-64.2-160.1176.2-163.40109.4K161K161-K163 PolarHBondContact O-N 3.2Å
164F60.1Low54.6Low72 Ų72118.5 Ų118.532%0.31656%0.562SS.*EExtended strand (participates in β ladder)trans-60.2144.6169-56.9-83.8000108.8K96 V97 M98 K162K96-F164 HydrophobicContact CD-CD1 4.15Å; K96-F164 HydrophobicContact CD-CE1 4.34Å; K96-F164 HydrophobicContact CD-CG 4.31Å; K96-F164 VanDerWaalsContact CE-CD2 3.45Å; K96-F164 HydrophobicContact CG-CB 3.99Å; K96-F164 HydrophobicContact CG-CD1 3.53Å; K96-F164 HydrophobicContact CG-CE1 4.11Å; K96-F164 HydrophobicContact CG-CG 3.81Å; V97-F164 WeakPolarHBondContact O-CA 3.3Å; M98-F164 HydrophobicContact CE-CE1 3.94Å; M98-F164 HydrophobicContact CG-CD1 3.78Å; M98-F164 HydrophobicContact CG-CE1 3.54Å; M98-F164 HydrophobicContact SD-CE1 4.33Å; K162-F164 HydrophobicContact CB-CE2 4.03Å; K162-F164 HydrophobicContact CB-CZ 4.06Å; K162-F164 WeakPolarHBondContact O-CD2 3.27Å; K162-F164 VanDerWaalsContact O-CE2 3.31Å; K162-F164 WeakPolarHBondContact O-CE2 3.47Å; K162-F164 PolarHBondContact O-N 3.32Å
165K58.6Low56.9Low50 Ų50116.7 Ų116.722%0.21755%0.545CS..EExtended strand (participates in β ladder)trans-116.8131.6164.1-166.765.4176.3177.90107.3N38 V97 K99N38-K165 WeakPolarHBondContact O-CE 3.49Å; N38-K165 PolarHBondContact O-NZ 3.06Å; N38-K165 PolarHBondContact OD1-NZ 3.35Å; V97-K165 WeakPolarHBondContact CB-O 3.46Å; V97-K165 PolarHBondContact N-O 3.34Å; V97-K165 PolarHBondContact O-N 3.15Å; K99-K165 HydrophobicContact CD-CB 4.13Å; K99-K165 HydrophobicContact CG-CB 4.31Å
166L68Low59.3Low4 Ų4110.1 Ų110.12%0.02152%0.52CS..EExtended strand (participates in β ladder)trans-79.8129.3172.8-80.266.1000108.2T37 M39 Y46 A94 L95 V180 V182T37-L166 HydrophobicContact CG2-CD1 3.89Å; T37-L166 HydrophobicContact CG2-CD2 3.86Å; T37-L166 HydrophobicContact CG2-CG 4.41Å; M39-L166 HydrophobicContact CB-CB 4.46Å; M39-L166 HydrophobicContact CE-CB 4.36Å; M39-L166 HydrophobicContact CG-CB 4.11Å; M39-L166 HydrophobicContact SD-CB 3.72Å; Y46-L166 HydrophobicContact CD1-CD2 4.27Å; Y46-L166 HydrophobicContact CG-CD2 4.13Å; A94-L166 HydrophobicContact CB-CB 4.26Å; A94-L166 HydrophobicContact CB-CD2 4.14Å; A94-L166 HydrophobicContact CB-CG 4.36Å; L95-L166 WeakPolarHBondContact O-CA 3.24Å; L166-V180 HydrophobicContact CD2-CG1 3.93Å; L166-V182 HydrophobicContact CD2-CG2 3.49Å; L166-V182 VanDerWaalsContact CD2-CG2 3.49Å
167E68.3Low61.8Low88 Ų88101.5 Ų101.541%0.41149%0.489SS..EExtended strand (participates in β ladder)trans-121.8141175.1-66.4-179.2-176.500108.1A94 L95 V97 H169A94-E167 CarbonylContact C-O 3.23Å; A94-E167 WeakPolarHBondContact CA-O 3.49Å; L95-E167 PolarHBondContact N-O 3.21Å; L95-E167 PolarHBondContact O-N 2.81Å; L95-E167 VanDerWaalsContact O-N 3.09Å; V97-E167 HydrophobicContact CG2-CB 3.98Å; V97-E167 HydrophobicContact CG2-CG 4.04Å; E167-H169 PolarHBondContact O-N 3.3Å
168P69.9Low64.1Low72 Ų7299.2 Ų99.247%0.46849%0.486SS..EExtended strand (participates in β ladder)trans-68.3131.9-17429-34.3000110.1M39 M40M39-P168 HydrophobicContact CE-CB 4.12Å; M39-P168 HydrophobicContact CE-CG 4.46Å; M40-P168 HydrophobicContact CE-CG 3.71Å
169H67.6Low66.6Low30 Ų3092.5 Ų92.514%0.13946%0.458CS..  trans-75.8138.7176.7-159-51.9000110.1R93 L95 E167 D171 Q172R93-H169 HydrophobicContact CB-CB 4.06Å; R93-H169 HydrophobicContact CG-CB 3.9Å; R93-H169 PolarHBondContact NE-CD2 3.23Å; R93-H169 PolarHBondContact NH1-CD2 3.43Å; R93-H169 PolarHBondContact NH1-CE1 2.95Å; R93-H169 PolarHBondContact NH1-NE2 3.21Å; R93-H169 VanDerWaalsContact NH1-NE2 3.16Å; R93-H169 PolarHBondContact NH2-NE2 2.93Å; R93-H169 WeakPolarHBondContact O-CB 3.35Å; R93-H169 PolarHBondContact O-N 3.35Å; L95-H169 VanDerWaalsContact CD2-CD2 3.42Å; L95-H169 WeakPolarHBondContact CD2-CD2 3.2Å; L95-H169 HydrophobicContact CG-CB 4.27Å; L95-H169 VanDerWaalsContact CG-CD2 3.44Å; L95-H169 WeakPolarHBondContact CG-CD2 3.37Å; E167-H169 PolarHBondContact O-N 3.3Å; H169-D171 IonicContact CE1-OD2 3.04Å; H169-D171 PolarHBondContact CE1-OD2 3.44Å; H169-D171 PolarHBondContact ND1-N 2.68Å; H169-D171 IonicContact ND1-OD2 3.97Å; H169-Q172 PolarHBondContact O-NE2 3.16Å
170E55.3Low68.8Low186 Ų18684.3 Ų84.387%0.86942%0.42SS*.SBendtrans-71.3-49176.2-60.2-166.314800111.1Q172E170-Q172 PolarHBondContact O-N 3.07Å
171D66.9Low70.9Confident103 Ų10378.4 Ų78.455%0.55138%0.384SS*.SBendtrans-69.188.8168.9-52.7-60.1000113.4R93 H169 L173R93-D171 PolarHBondContact NH1-O 2.87Å; H169-D171 IonicContact CE1-OD2 3.04Å; H169-D171 PolarHBondContact CE1-OD2 3.44Å; H169-D171 PolarHBondContact ND1-N 2.68Å; H169-D171 IonicContact ND1-OD2 3.97Å; D171-L173 VanDerWaalsContact C-N 3.27Å; D171-L173 PolarHBondContact O-N 3.23Å
172Q73.8Confident72.9Confident52 Ų5269.4 Ų69.424%0.24335%0.346CS..  trans-77.672.3173-72.1-60.4-38.300111.6L86 R93 H169 E170L86-Q172 HydrophobicContact CD2-CB 3.77Å; L86-Q172 WeakPolarHBondContact CD2-O 3.5Å; R93-Q172 PolarHBondContact O-NE2 3.26Å; H169-Q172 PolarHBondContact O-NE2 3.16Å; E170-Q172 PolarHBondContact O-N 3.07Å
173L79.6Confident74.6Confident85 Ų8563.7 Ų63.745%0.44532%0.321SS..  trans-123.3146.2170.6-69172.3000109.5R93 D171R93-L173 VanDerWaalsContact CD-O 3.31Å; R93-L173 WeakPolarHBondContact CD-O 3.32Å; D171-L173 VanDerWaalsContact C-N 3.27Å; D171-L173 PolarHBondContact O-N 3.23Å
174F82.9Confident76.3Confident1 Ų159.6 Ų59.60%0.00431%0.307CS..  trans-87.8113.1171.5-172.1-92.1000108.9F47 A49 V53 V79 C82 N83 L86 F91 Y181F47-F174 HydrophobicContact CE2-CE2 4.29Å; A49-F174 HydrophobicContact CB-CE1 4.32Å; A49-F174 HydrophobicContact CB-CE2 3.93Å; A49-F174 HydrophobicContact CB-CZ 3.67Å; V53-F174 HydrophobicContact CG2-CE1 3.62Å; V53-F174 HydrophobicContact CG2-CZ 3.87Å; V79-F174 HydrophobicContact CB-CD1 4.43Å; V79-F174 HydrophobicContact CG1-CD1 4.26Å; V79-F174 HydrophobicContact CG2-CD1 4.32Å; V79-F174 HydrophobicContact CG2-CE1 4.2Å; C82-F174 HydrophobicContact CB-CB 4.1Å; C82-F174 HydrophobicContact CB-CD1 3.35Å; C82-F174 HydrophobicContact CB-CD2 3.79Å; C82-F174 HydrophobicContact CB-CE1 3.56Å; C82-F174 HydrophobicContact CB-CE2 3.98Å; C82-F174 HydrophobicContact CB-CG 3.46Å; C82-F174 VanDerWaalsContact CB-CG 3.46Å; C82-F174 HydrophobicContact CB-CZ 3.87Å; N83-F174 PolarHBondContact ND2-O 3.21Å; N83-F174 PolarHBondContact OD1-N 3.38Å; L86-F174 HydrophobicContact CD1-CB 3.99Å; F91-F174 AromaticContact CE2-CD2 3.85Å; F91-F174 HydrophobicContact CE2-CD2 3.85Å; F91-F174 HydrophobicContact CE2-CE2 4.34Å; F91-F174 HydrophobicContact CZ-CD2 4.35Å; F174-Y181 HydrophobicContact CB-CE1 4.42Å; F174-Y181 AromaticContact CD2-CD1 3.99Å; F174-Y181 HydrophobicContact CD2-CD1 3.99Å; F174-Y181 HydrophobicContact CD2-CD2 4.33Å; F174-Y181 AromaticContact CD2-CE1 3.54Å; F174-Y181 HydrophobicContact CD2-CE1 3.54Å; F174-Y181 AromaticContact CD2-CE2 3.98Å; F174-Y181 HydrophobicContact CD2-CE2 3.98Å; F174-Y181 HydrophobicContact CD2-CG 4.37Å; F174-Y181 AromaticContact CD2-CZ 3.54Å; F174-Y181 HydrophobicContact CE2-CD1 4.45Å; F174-Y181 HydrophobicContact CE2-CD2 4.06Å; F174-Y181 HydrophobicContact CE2-CE1 4.23Å; F174-Y181 AromaticContact CE2-CE2 3.88Å; F174-Y181 HydrophobicContact CE2-CE2 3.88Å; F174-Y181 HydrophobicContact CE2-CG 4.38Å; F174-Y181 AromaticContact CE2-CZ 3.95Å; F174-Y181 HydrophobicContact CG-CE1 4.32Å
175L82.2Confident77.4Confident84 Ų8459 Ų5944%0.4430%0.303SS..  trans-112.6135174.3-60.9177.8000109.2A49 E179 Y181A49-L175 WeakPolarHBondContact CB-O 3.39Å; L175-E179 HydrophobicContact CB-CG 4.35Å; L175-Y181 PolarHBondContact N-OH 3.42Å; L175-Y181 PolarHBondContact O-OH 3.24Å
176D81.6Confident78.5Confident64 Ų6461.7 Ų61.734%0.34232%0.32SS..SBendtrans-74.2143.1178-167.31.3000111.7R75 V79R75-D176 WeakPolarHBondContact CD-OD2 3.15Å; R75-D176 IonicContact CZ-OD1 3.13Å; R75-D176 IonicContact CZ-OD2 3.67Å; R75-D176 IonicContact NE-OD1 2.68Å; R75-D176 IonicContact NE-OD2 2.76Å; R75-D176 PolarHBondContact NE-OD2 2.6Å; R75-D176 IonicContact NH2-OD1 3.63Å; R75-D176 PolarHBondContact NH2-OD1 3.24Å; R75-D176 IonicContact NH2-OD2 3.49Å; V79-D176 HydrophobicContact CG2-CB 3.83Å
177G83.8Confident78.9Confident24 Ų2462 Ų6225%0.24732%0.322CS..SBendtrans119.3-151.2-174.900000113.7A49 S50 E179A49-G177 WeakPolarHBondContact CB-O 3.19Å; S50-G177 PolarHBondContact N-O 2.88Å; S50-G177 PolarHBondContact OG-O 3.17Å; G177-E179 PolarHBondContact O-N 2.97Å; G177-E179 VanDerWaalsContact O-N 3.13Å
178N83.7Confident79.2Confident148 Ų14862.8 Ų62.879%0.79133%0.333SS*.SBendtrans-83.321.3-171.6-70.51.4000114.4
179E86.2Confident79.3Confident51 Ų5162.7 Ų62.724%0.23833%0.326CS..  trans-71.4145.3174.3-73.6-69.5165.700111.1I48 A49 R93 L175 G177 Y181I48-E179 WeakPolarHBondContact CA-O 3.11Å; A49-E179 HydrophobicContact CB-CB 4.37Å; A49-E179 PolarHBondContact N-O 2.67Å; R93-E179 IonicContact CZ-OE1 2.78Å; R93-E179 IonicContact CZ-OE2 3.11Å; R93-E179 VanDerWaalsContact NE-CD 3.35Å; R93-E179 IonicContact NE-OE1 3.41Å; R93-E179 IonicContact NE-OE2 3.85Å; R93-E179 PolarHBondContact NE-OE2 3.44Å; R93-E179 IonicContact NH2-OE1 3.39Å; R93-E179 PolarHBondContact NH2-OE1 2.98Å; R93-E179 IonicContact NH2-OE2 2.64Å; R93-E179 PolarHBondContact NH2-OE2 2.81Å; R93-E179 VanDerWaalsContact NH2-OE2 3.15Å; L175-E179 HydrophobicContact CB-CG 4.35Å; G177-E179 PolarHBondContact O-N 2.97Å; G177-E179 VanDerWaalsContact O-N 3.13Å; E179-Y181 HydrophobicContact CB-CE2 3.57Å; E179-Y181 WeakPolarHBondContact O-CE2 3.27Å
180V86.4Confident79.8Confident7 Ų768.5 Ų68.54%0.04235%0.351CS..EExtended strand (participates in β ladder)trans-107.1137.2-175.4167.60000110.7Y46 F47 A94 K96 L166Y46-V180 HydrophobicContact CD2-CG1 3.55Å; Y46-V180 HydrophobicContact CD2-CG2 4.31Å; Y46-V180 HydrophobicContact CE2-CG1 4.37Å; Y46-V180 HydrophobicContact CE2-CG2 4.48Å; Y46-V180 HydrophobicContact CG-CG1 4Å; F47-V180 WeakPolarHBondContact O-CA 3.49Å; A94-V180 PolarHBondContact N-O 3.5Å; A94-V180 WeakPolarHBondContact O-CB 3.32Å; K96-V180 HydrophobicContact CB-CG2 4.39Å; K96-V180 HydrophobicContact CD-CG2 4.31Å; L166-V180 HydrophobicContact CD2-CG1 3.93Å
181Y87Confident81.1Confident0 Ų067.2 Ų67.20%034%0.342CS..EExtended strand (participates in β ladder)trans-130.1137.1179.7-58-96.6000109.6Y46 F47 A49 L86 F91 H92 R93 F174 L175 E179Y46-Y181 CarbonylContact C-O 3.52Å; Y46-Y181 WeakPolarHBondContact CA-O 3.37Å; Y46-Y181 WeakPolarHBondContact CB-O 3.19Å; F47-Y181 WeakPolarHBondContact CD1-O 3.4Å; F47-Y181 HydrophobicContact CE2-CD2 4.2Å; F47-Y181 HydrophobicContact CE2-CG 4.22Å; F47-Y181 HydrophobicContact CZ-CG 4.17Å; F47-Y181 PolarHBondContact N-O 3.03Å; F47-Y181 PolarHBondContact O-N 2.91Å; A49-Y181 HydrophobicContact CB-CD2 4.13Å; A49-Y181 HydrophobicContact CB-CE2 3.43Å; A49-Y181 VanDerWaalsContact CB-CE2 3.43Å; L86-Y181 HydrophobicContact CD1-CD1 3.98Å; L86-Y181 HydrophobicContact CD1-CE1 3.75Å; F91-Y181 AromaticContact CD2-CD1 3.97Å; F91-Y181 HydrophobicContact CD2-CD1 3.97Å; F91-Y181 HydrophobicContact CD2-CG 4.33Å; F91-Y181 HydrophobicContact CE2-CD1 4.24Å; H92-Y181 CarbonylContact O-C 3.58Å; H92-Y181 VanDerWaalsContact O-CA 3.24Å; H92-Y181 WeakPolarHBondContact O-CA 3.5Å; R93-Y181 HydrophobicContact CB-CD1 3.82Å; R93-Y181 HydrophobicContact CB-CE1 3.58Å; R93-Y181 HydrophobicContact CG-CD1 4.27Å; R93-Y181 HydrophobicContact CG-CE1 3.76Å; F174-Y181 HydrophobicContact CB-CE1 4.42Å; F174-Y181 AromaticContact CD2-CD1 3.99Å; F174-Y181 HydrophobicContact CD2-CD1 3.99Å; F174-Y181 HydrophobicContact CD2-CD2 4.33Å; F174-Y181 AromaticContact CD2-CE1 3.54Å; F174-Y181 HydrophobicContact CD2-CE1 3.54Å; F174-Y181 AromaticContact CD2-CE2 3.98Å; F174-Y181 HydrophobicContact CD2-CE2 3.98Å; F174-Y181 HydrophobicContact CD2-CG 4.37Å; F174-Y181 AromaticContact CD2-CZ 3.54Å; F174-Y181 HydrophobicContact CE2-CD1 4.45Å; F174-Y181 HydrophobicContact CE2-CD2 4.06Å; F174-Y181 HydrophobicContact CE2-CE1 4.23Å; F174-Y181 AromaticContact CE2-CE2 3.88Å; F174-Y181 HydrophobicContact CE2-CE2 3.88Å; F174-Y181 HydrophobicContact CE2-CG 4.38Å; F174-Y181 AromaticContact CE2-CZ 3.95Å; F174-Y181 HydrophobicContact CG-CE1 4.32Å; L175-Y181 PolarHBondContact N-OH 3.42Å; L175-Y181 PolarHBondContact O-OH 3.24Å; E179-Y181 HydrophobicContact CB-CE2 3.57Å; E179-Y181 WeakPolarHBondContact O-CE2 3.27Å
182V87.8Confident82Confident11 Ų1166.4 Ų66.47%0.06734%0.341CS..EExtended strand (participates in β ladder)trans-102.9131.2-179.1173.90000109.3M39 V44 D45 F91 H92 A94 L166M39-V182 HydrophobicContact SD-CG2 3.94Å; V44-V182 HydrophobicContact CB-CG1 3.7Å; V44-V182 HydrophobicContact CG1-CG1 4.37Å; V44-V182 HydrophobicContact CG2-CG1 3.61Å; V44-V182 HydrophobicContact CG2-CG2 4.38Å; D45-V182 WeakPolarHBondContact O-CA 3.1Å; F91-V182 CarbonylContact C-O 3.55Å; F91-V182 WeakPolarHBondContact CA-O 3.26Å; F91-V182 WeakPolarHBondContact CB-O 3.27Å; H92-V182 PolarHBondContact N-O 3.25Å; H92-V182 PolarHBondContact O-N 2.91Å; A94-V182 HydrophobicContact CB-CG2 3.72Å; L166-V182 HydrophobicContact CD2-CG2 3.49Å; L166-V182 VanDerWaalsContact CD2-CG2 3.49Å
183W89.1Confident82.7Confident15 Ų1569.8 Ų69.86%0.05736%0.356CS..EExtended strand (participates in β ladder)trans-67.4140.5175.9-73.8115.9000112L28 R29 D45 F47 F91L28-W183 HydrophobicContact CB-CH2 3.97Å; L28-W183 HydrophobicContact CB-CZ2 4.44Å; L28-W183 HydrophobicContact CD2-CH2 3.78Å; L28-W183 HydrophobicContact CD2-CZ2 4.29Å; L28-W183 HydrophobicContact CG-CH2 3.69Å; L28-W183 HydrophobicContact CG-CZ2 3.91Å; R29-W183 HydrophobicContact CB-CH2 4.18Å; R29-W183 HydrophobicContact CB-CZ2 4.17Å; R29-W183 HydrophobicContact CB-CZ3 4.49Å; D45-W183 PolarHBondContact O-N 2.77Å; F47-W183 AromaticContact CD1-CD1 3.91Å; F47-W183 HydrophobicContact CD1-CD2 4.04Å; F47-W183 AromaticContact CD1-CE2 3.46Å; F47-W183 VanDerWaalsContact CD1-CE2 3.46Å; F47-W183 HydrophobicContact CD1-CG 4.3Å; F47-W183 AromaticContact CD1-CZ2 3.82Å; F47-W183 HydrophobicContact CD1-CZ2 3.82Å; F47-W183 AromaticContact CD1-NE1 3.38Å; F47-W183 AromaticContact CE1-CD2 3.88Å; F47-W183 HydrophobicContact CE1-CD2 3.88Å; F47-W183 AromaticContact CE1-CE2 3.58Å; F47-W183 HydrophobicContact CE1-CE3 4.27Å; F47-W183 HydrophobicContact CE1-CG 4.43Å; F47-W183 HydrophobicContact CE1-CH2 4.16Å; F47-W183 AromaticContact CE1-CZ2 3.73Å; F47-W183 HydrophobicContact CE1-CZ2 3.73Å; F47-W183 HydrophobicContact CE1-CZ3 4.41Å; F47-W183 AromaticContact CE1-NE1 3.98Å; F47-W183 HydrophobicContact CZ-CZ2 4.38Å; F91-W183 HydrophobicContact CB-CE3 4.21Å; F91-W183 HydrophobicContact CD1-CE3 4.21Å; F91-W183 HydrophobicContact CD1-CH2 4.33Å; F91-W183 AromaticContact CD1-CZ3 3.77Å; F91-W183 HydrophobicContact CD1-CZ3 3.77Å
184I84.8Confident83.3Confident104 Ų10467.1 Ų67.153%0.53335%0.346SS..  trans-124.1-29.7167.4-62.1-170.8000110.2F90 H92 D186F90-I184 PolarHBondContact O-N 3.01Å; H92-I184 WeakPolarHBondContact ND1-CD1 3.26Å; I184-D186 PolarHBondContact O-N 3.09Å
185Y83.1Confident83.8Confident61 Ų6173.2 Ų73.224%0.23938%0.376CS..  trans-75105.2170.3-179.7-118000110.8A25 K26 F90 P187A25-Y185 HydrophobicContact CB-CD1 3.92Å; A25-Y185 HydrophobicContact CB-CE1 4.03Å; K26-Y185 HydrophobicContact CB-CE1 4.32Å; F90-Y185 AromaticContact CD1-CD1 3.68Å; F90-Y185 HydrophobicContact CD1-CD1 3.68Å; F90-Y185 AromaticContact CD1-CD2 3.95Å; F90-Y185 HydrophobicContact CD1-CD2 3.95Å; F90-Y185 HydrophobicContact CD1-CE1 4.34Å; F90-Y185 AromaticContact CD1-CG 3.44Å; F90-Y185 HydrophobicContact CD1-CG 3.44Å; F90-Y185 VanDerWaalsContact CD1-CG 3.44Å; F90-Y185 AromaticContact CE1-CD1 3.97Å; F90-Y185 HydrophobicContact CE1-CD1 3.97Å; F90-Y185 AromaticContact CE1-CD2 3.94Å; F90-Y185 HydrophobicContact CE1-CD2 3.94Å; F90-Y185 HydrophobicContact CE1-CE1 4.17Å; F90-Y185 HydrophobicContact CE1-CE2 4.18Å; F90-Y185 AromaticContact CE1-CG 3.83Å; F90-Y185 HydrophobicContact CE1-CG 3.83Å; F90-Y185 PolarHBondContact O-N 2.95Å; Y185-P187 HydrophobicContact CD1-CB 4.45Å; Y185-P187 HydrophobicContact CD1-CG 4.26Å; Y185-P187 HydrophobicContact CE1-CB 3.71Å; Y185-P187 HydrophobicContact CE1-CG 3.89Å; Y185-P187 WeakPolarHBondContact O-CD 3.38Å
186D81.1Confident84.3Confident106 Ų10671 Ų7157%0.56737%0.373SS*.  trans-103.2101.8168.7-162.854.7000110.7R29 I184 V188R29-D186 IonicContact CZ-OD1 2.73Å; R29-D186 IonicContact NE-OD1 2.71Å; R29-D186 IonicContact NH2-OD1 2.7Å; R29-D186 PolarHBondContact NH2-OD1 2.9Å; I184-D186 PolarHBondContact O-N 3.09Å; D186-V188 PolarHBondContact O-N 2.8Å
187P76.4Confident85Confident11 Ų1172 Ų727%0.07138%0.378CS..  trans-79.897.1178.730-31.1000110.5K26 R29 F30 Y185 H189K26-P187 HydrophobicContact CD-CB 4.43Å; K26-P187 HydrophobicContact CG-CB 4.04Å; K26-P187 HydrophobicContact CG-CG 4.13Å; R29-P187 HydrophobicContact CB-CG 4.22Å; R29-P187 HydrophobicContact CG-CG 3.76Å; F30-P187 HydrophobicContact CE2-CB 4.36Å; F30-P187 HydrophobicContact CE2-CG 3.62Å; F30-P187 HydrophobicContact CZ-CG 3.79Å; Y185-P187 HydrophobicContact CD1-CB 4.45Å; Y185-P187 HydrophobicContact CD1-CG 4.26Å; Y185-P187 HydrophobicContact CE1-CB 3.71Å; Y185-P187 HydrophobicContact CE1-CG 3.89Å; Y185-P187 WeakPolarHBondContact O-CD 3.38Å; P187-H189 PolarHBondContact O-N 2.77Å; P187-H189 VanDerWaalsContact O-N 3.08Å
188V73.9Confident85.6Confident104 Ų10475.6 Ų75.663%0.6339%0.391SS*.  trans-35.2116.6174.2-178.60000111D186 F193D186-V188 PolarHBondContact O-N 2.8Å; V188-F193 HydrophobicContact CG1-CB 4.42Å
189H72.8Confident86.2Confident70 Ų7074 Ų7432%0.32438%0.381SS..  trans-69.7143.7-172.8-152.5-124.3000110.7F30 P187 K191 T192 F193F30-H189 AromaticContact CE1-CD2 3.82Å; F30-H189 AromaticContact CZ-CD2 3.5Å; F30-H189 VanDerWaalsContact CZ-CD2 3.5Å; F30-H189 WeakPolarHBondContact CZ-CD2 3.28Å; P187-H189 PolarHBondContact O-N 2.77Å; P187-H189 VanDerWaalsContact O-N 3.08Å; H189-K191 WeakPolarHBondContact ND1-CB 3.4Å; H189-K191 PolarHBondContact O-N 2.89Å; H189-T192 HydrophobicContact CB-CG2 4.45Å; H189-T192 PolarHBondContact N-OG1 2.94Å; H189-T192 PolarHBondContact O-N 2.71Å; H189-T192 VanDerWaalsContact O-N 3.15Å; H189-T192 PolarHBondContact O-OG1 3.13Å; H189-F193 PolarHBondContact O-N 3.14Å
190F76.7Confident86.7Confident151 Ų15175.2 Ų75.266%0.66239%0.392SS*.Hα-helixtrans-67.1-28.6179.3-165.6-98000111.2F193 A194F190-F193 HydrophobicContact CE2-CD1 4.26Å; F190-A194 WeakPolarHBondContact O-CB 3.49Å; F190-A194 PolarHBondContact O-N 2.96Å
191K82.8Confident87.1Confident159 Ų15979.4 Ų79.469%0.69141%0.413SS*.Hα-helixtrans-55.4-54.9167.8-67.1-175.2178-177.20110.9H189 F193 A194 M195H189-K191 WeakPolarHBondContact ND1-CB 3.4Å; H189-K191 PolarHBondContact O-N 2.89Å; K191-F193 PolarHBondContact O-N 3.37Å; K191-A194 PolarHBondContact O-N 2.92Å; K191-M195 WeakPolarHBondContact O-CG 3.4Å; K191-M195 PolarHBondContact O-N 3.02Å
192T86.1Confident87.5Confident87 Ų8782.1 Ų82.153%0.53444%0.436SS..Hα-helixtrans-69.1-36.5-175.155.60000112.9H189 M195 G196H189-T192 HydrophobicContact CB-CG2 4.45Å; H189-T192 PolarHBondContact N-OG1 2.94Å; H189-T192 PolarHBondContact O-N 2.71Å; H189-T192 VanDerWaalsContact O-N 3.15Å; H189-T192 PolarHBondContact O-OG1 3.13Å; T192-M195 PolarHBondContact O-N 2.94Å; T192-G196 PolarHBondContact O-N 3.38Å
193F88.8Confident87.9Confident123 Ų12385.6 Ų85.654%0.53946%0.457SS..Hα-helixtrans-62.4-43.2170.4178.7-98.3000112.4V188 H189 F190 K191 G196 L197V188-F193 HydrophobicContact CG1-CB 4.42Å; H189-F193 PolarHBondContact O-N 3.14Å; F190-F193 HydrophobicContact CE2-CD1 4.26Å; K191-F193 PolarHBondContact O-N 3.37Å; F193-G196 PolarHBondContact O-N 3.19Å; F193-L197 WeakPolarHBondContact O-CB 3.2Å; F193-L197 PolarHBondContact O-N 3.02Å
194A92.6Very high88.1Confident29 Ų2989 Ų8924%0.2448%0.475CS..Hα-helixtrans-65.6-42177.500000112.1F190 K191 L197 I198F190-A194 WeakPolarHBondContact O-CB 3.49Å; F190-A194 PolarHBondContact O-N 2.96Å; K191-A194 PolarHBondContact O-N 2.92Å; A194-L197 PolarHBondContact O-N 3.27Å; A194-I198 WeakPolarHBondContact O-CB 3.41Å; A194-I198 WeakPolarHBondContact O-CD1 3.45Å; A194-I198 VanDerWaalsContact O-CG1 3.24Å; A194-I198 WeakPolarHBondContact O-CG1 3.36Å; A194-I198 PolarHBondContact O-N 2.97Å
195M93Very high88.5Confident128 Ų12885.7 Ų85.763%0.63146%0.464SS*.Hα-helixtrans-60.9-44.8175-69.8-61.5-75.600111.9K191 T192 L197 I198 L199K191-M195 WeakPolarHBondContact O-CG 3.4Å; K191-M195 PolarHBondContact O-N 3.02Å; T192-M195 PolarHBondContact O-N 2.94Å; M195-L197 VanDerWaalsContact C-N 3.33Å; M195-L197 PolarHBondContact O-N 3.48Å; M195-I198 PolarHBondContact O-N 3.29Å; M195-I198 HydrophobicContact SD-CD1 4.48Å; M195-L199 WeakPolarHBondContact O-CB 3.4Å; M195-L199 PolarHBondContact O-N 3.47Å
196G93.7Very high88.8Confident38 Ų3886.1 Ų86.139%0.39248%0.48SS..Hα-helixtrans-60.8-39.7173.800000113T192 F193 L199 V200T192-G196 PolarHBondContact O-N 3.38Å; F193-G196 PolarHBondContact O-N 3.19Å; G196-L199 PolarHBondContact O-N 2.94Å; G196-V200 WeakPolarHBondContact O-CG2 3.48Å; G196-V200 PolarHBondContact O-N 3.45Å
197L95.3Very high89.4Confident85 Ų8585.9 Ų85.945%0.44548%0.483SS..Hα-helixtrans-66.7-41175.1-179.661.2000112.3F193 A194 M195 V200 I201F193-L197 WeakPolarHBondContact O-CB 3.2Å; F193-L197 PolarHBondContact O-N 3.02Å; A194-L197 PolarHBondContact O-N 3.27Å; M195-L197 VanDerWaalsContact C-N 3.33Å; M195-L197 PolarHBondContact O-N 3.48Å; L197-V200 PolarHBondContact O-N 3.13Å; L197-I201 HydrophobicContact CD1-CD1 4.09Å; L197-I201 HydrophobicContact CD1-CG1 4.38Å; L197-I201 HydrophobicContact CG-CD1 3.92Å; L197-I201 WeakPolarHBondContact O-CB 3.48Å; L197-I201 VanDerWaalsContact O-CG1 3.27Å; L197-I201 WeakPolarHBondContact O-CG1 3.4Å; L197-I201 PolarHBondContact O-N 2.93Å
198I96.6Very high90.1Very high100 Ų10089.2 Ų89.251%0.51350%0.499SS..Hα-helixtrans-62.6-44.3176.2-71.2162.2000110.5A194 M195 I201 A202A194-I198 WeakPolarHBondContact O-CB 3.41Å; A194-I198 WeakPolarHBondContact O-CD1 3.45Å; A194-I198 VanDerWaalsContact O-CG1 3.24Å; A194-I198 WeakPolarHBondContact O-CG1 3.36Å; A194-I198 PolarHBondContact O-N 2.97Å; M195-I198 PolarHBondContact O-N 3.29Å; M195-I198 HydrophobicContact SD-CD1 4.48Å; I198-I201 PolarHBondContact O-N 2.85Å; I198-A202 WeakPolarHBondContact O-CB 3.45Å; I198-A202 PolarHBondContact O-N 3.31Å
199L95.8Very high90.7Very high113 Ų11388.3 Ų88.359%0.59249%0.487SS*.Hα-helixtrans-59.2-48.4175.8-169.3165.3000111M195 G196 I201 A202 V203M195-L199 WeakPolarHBondContact O-CB 3.4Å; M195-L199 PolarHBondContact O-N 3.47Å; G196-L199 PolarHBondContact O-N 2.94Å; L199-I201 VanDerWaalsContact C-N 3.34Å; L199-I201 PolarHBondContact O-N 2.89Å; L199-A202 PolarHBondContact O-N 3.34Å; L199-V203 HydrophobicContact CD2-CG2 4.14Å; L199-V203 WeakPolarHBondContact O-CG2 3.35Å; L199-V203 PolarHBondContact O-N 3.28Å
200V96.4Very high91.4Very high78 Ų7889.9 Ų89.947%0.47350%0.504SS..Hα-helixtrans-60.1-42.8176.11690000111.6G196 L197 V203 I204G196-V200 WeakPolarHBondContact O-CG2 3.48Å; G196-V200 PolarHBondContact O-N 3.45Å; L197-V200 PolarHBondContact O-N 3.13Å; V200-V203 PolarHBondContact O-N 2.84Å; V200-I204 HydrophobicContact CG1-CD1 3.77Å; V200-I204 WeakPolarHBondContact O-CB 3.5Å; V200-I204 VanDerWaalsContact O-CG1 3.27Å; V200-I204 WeakPolarHBondContact O-CG1 3.47Å; V200-I204 PolarHBondContact O-N 3.23Å
201I96Very high92Very high94 Ų9489.3 Ų89.348%0.48251%0.507SS..Hα-helixtrans-64-39.5176.2-71167.2000111.2L197 I198 L199 I204 A205L197-I201 HydrophobicContact CD1-CD1 4.09Å; L197-I201 HydrophobicContact CD1-CG1 4.38Å; L197-I201 HydrophobicContact CG-CD1 3.92Å; L197-I201 WeakPolarHBondContact O-CB 3.48Å; L197-I201 VanDerWaalsContact O-CG1 3.27Å; L197-I201 WeakPolarHBondContact O-CG1 3.4Å; L197-I201 PolarHBondContact O-N 2.93Å; I198-I201 PolarHBondContact O-N 2.85Å; L199-I201 VanDerWaalsContact C-N 3.34Å; L199-I201 PolarHBondContact O-N 2.89Å; I201-I204 PolarHBondContact O-N 3.29Å; I201-A205 VanDerWaalsContact O-CB 3.3Å; I201-A205 WeakPolarHBondContact O-CB 3.43Å; I201-A205 PolarHBondContact O-N 2.88Å
202A94.6Very high92.4Very high58 Ų5884.5 Ų84.548%0.47948%0.484SS..Hα-helixtrans-64.4-43.4177.700000112.2I198 L199 A205 A206I198-A202 WeakPolarHBondContact O-CB 3.45Å; I198-A202 PolarHBondContact O-N 3.31Å; L199-A202 PolarHBondContact O-N 3.34Å; A202-A205 PolarHBondContact O-N 3.12Å; A202-A206 WeakPolarHBondContact O-CB 3.42Å; A202-A206 PolarHBondContact O-N 2.85Å
203V96.3Very high92.7Very high83 Ų8384.2 Ų84.250%0.50348%0.484SS..Hα-helixtrans-64.2-41.3175.3174.30000111.4L199 V200 T207L199-V203 HydrophobicContact CD2-CG2 4.14Å; L199-V203 WeakPolarHBondContact O-CG2 3.35Å; L199-V203 PolarHBondContact O-N 3.28Å; V200-V203 PolarHBondContact O-N 2.84Å; V203-T207 WeakPolarHBondContact O-CB 3.47Å; V203-T207 WeakPolarHBondContact O-CG2 3.42Å; V203-T207 PolarHBondContact O-N 2.74Å; V203-T207 PolarHBondContact O-OG1 2.99Å
204I94.7Very high92.6Very high86 Ų8680.7 Ų80.744%0.44148%0.477SS..Hα-helixtrans-63.3-44.7173.8-69.6166.9000110.7V200 I201 A206 T207 L208V200-I204 HydrophobicContact CG1-CD1 3.77Å; V200-I204 WeakPolarHBondContact O-CB 3.5Å; V200-I204 VanDerWaalsContact O-CG1 3.27Å; V200-I204 WeakPolarHBondContact O-CG1 3.47Å; V200-I204 PolarHBondContact O-N 3.23Å; I201-I204 PolarHBondContact O-N 3.29Å; I204-A206 PolarHBondContact O-N 3.13Å; I204-T207 WeakPolarHBondContact CA-OG1 3Å; I204-T207 PolarHBondContact O-N 3.05Å; I204-T207 PolarHBondContact O-OG1 3.2Å; I204-L208 HydrophobicContact CG2-CD1 3.66Å; I204-L208 HydrophobicContact CG2-CG 4.3Å; I204-L208 VanDerWaalsContact O-CB 3.26Å; I204-L208 WeakPolarHBondContact O-CB 3.42Å; I204-L208 WeakPolarHBondContact O-CG 3.42Å; I204-L208 PolarHBondContact O-N 3.16Å
205A91.2Very high92.5Very high36 Ų3686.4 Ų86.430%0.29850%0.499SS..Hα-helixtrans-62.1-44.3179.200000111.9I201 A202 L208 F209 W212I201-A205 VanDerWaalsContact O-CB 3.3Å; I201-A205 WeakPolarHBondContact O-CB 3.43Å; I201-A205 PolarHBondContact O-N 2.88Å; A202-A205 PolarHBondContact O-N 3.12Å; A205-L208 PolarHBondContact O-N 2.64Å; A205-F209 PolarHBondContact O-N 2.73Å; A205-W212 HydrophobicContact CB-CZ2 4.19Å; A205-W212 WeakPolarHBondContact O-CZ2 3.45Å; A205-W212 PolarHBondContact O-NE1 3.37Å
206A90.4Very high92.3Very high69 Ų6985.1 Ų85.157%0.5749%0.493SS*.Hα-helixtrans-65.3-45.7177.400000112.6A202 I204 L208 F209A202-A206 WeakPolarHBondContact O-CB 3.42Å; A202-A206 PolarHBondContact O-N 2.85Å; I204-A206 PolarHBondContact O-N 3.13Å; A206-L208 VanDerWaalsContact C-N 3.27Å; A206-L208 PolarHBondContact O-N 2.7Å; A206-F209 WeakPolarHBondContact O-CB 3.44Å; A206-F209 PolarHBondContact O-N 2.71Å; A206-F209 VanDerWaalsContact O-N 3.14Å
207T93.7Very high92.1Very high102 Ų10288.7 Ų88.763%0.62649%0.494SS*.Hα-helixtrans-67.8-26.9177.250.20000113V203 I204 F209 P210V203-T207 WeakPolarHBondContact O-CB 3.47Å; V203-T207 WeakPolarHBondContact O-CG2 3.42Å; V203-T207 PolarHBondContact O-N 2.74Å; V203-T207 PolarHBondContact O-OG1 2.99Å; I204-T207 WeakPolarHBondContact CA-OG1 3Å; I204-T207 PolarHBondContact O-N 3.05Å; I204-T207 PolarHBondContact O-OG1 3.2Å; T207-F209 VanDerWaalsContact C-N 3.31Å; T207-F209 PolarHBondContact O-N 3.02Å; T207-P210 WeakPolarHBondContact O-CD 3.43Å
208L90.9Very high91.9Very high80 Ų8087.9 Ų87.942%0.41949%0.493SS..THydrogen-bonded Turntrans-81.62.8172.8-69.7176.8000114.6I204 A205 A206 P210 L211I204-L208 HydrophobicContact CG2-CD1 3.66Å; I204-L208 HydrophobicContact CG2-CG 4.3Å; I204-L208 VanDerWaalsContact O-CB 3.26Å; I204-L208 WeakPolarHBondContact O-CB 3.42Å; I204-L208 WeakPolarHBondContact O-CG 3.42Å; I204-L208 PolarHBondContact O-N 3.16Å; A205-L208 PolarHBondContact O-N 2.64Å; A206-L208 VanDerWaalsContact C-N 3.27Å; A206-L208 PolarHBondContact O-N 2.7Å; L208-P210 VanDerWaalsContact C-N 3.26Å; L208-P210 VanDerWaalsContact O-N 3.08Å; L208-L211 HydrophobicContact CD2-CD2 4.39Å; L208-L211 PolarHBondContact O-N 2.92Å
209F86.6Confident91.7Very high86 Ų8685 Ų8538%0.37749%0.488SS..G310 helixtrans-45.6-37.9177.6-178.5-100.7000115.2A205 A206 T207 L211 W212 R217 V220A205-F209 PolarHBondContact O-N 2.73Å; A206-F209 WeakPolarHBondContact O-CB 3.44Å; A206-F209 PolarHBondContact O-N 2.71Å; A206-F209 VanDerWaalsContact O-N 3.14Å; T207-F209 VanDerWaalsContact C-N 3.31Å; T207-F209 PolarHBondContact O-N 3.02Å; F209-L211 PolarHBondContact O-N 3.09Å; F209-W212 HydrophobicContact CD2-CD2 4.15Å; F209-W212 HydrophobicContact CD2-CE3 4.11Å; F209-W212 HydrophobicContact CE2-CE3 4.5Å; F209-W212 WeakPolarHBondContact O-CB 3.43Å; F209-W212 PolarHBondContact O-N 2.97Å; F209-W212 VanDerWaalsContact O-N 3.14Å; F209-R217 HydrophobicContact CE2-CG 4.02Å; F209-R217 HydrophobicContact CZ-CG 4.13Å; F209-V220 HydrophobicContact CE2-CB 4.2Å; F209-V220 HydrophobicContact CE2-CG1 4.02Å; F209-V220 HydrophobicContact CE2-CG2 4.36Å
210P87.8Confident91.5Very high103 Ų10382.1 Ų82.167%0.66948%0.475SS*.G310 helixtrans-61.8-22.7174.9-24.636.1000115.2T207 L208T207-P210 WeakPolarHBondContact O-CD 3.43Å; L208-P210 VanDerWaalsContact C-N 3.26Å; L208-P210 VanDerWaalsContact O-N 3.08Å
211L89.3Confident91.3Very high139 Ų13985.4 Ų85.473%0.72848%0.48SS*.G310 helixtrans-94.6-2.4178.5-8270.6000112.9L208 F209L208-L211 HydrophobicContact CD2-CD2 4.39Å; L208-L211 PolarHBondContact O-N 2.92Å; F209-L211 PolarHBondContact O-N 3.09Å
212W91.1Very high91.3Very high57 Ų5788.4 Ų88.422%0.21649%0.486CS..  trans-66.4142.9-174.9-77.625.7000112.5A205 F209 M216 R217 V220A205-W212 HydrophobicContact CB-CZ2 4.19Å; A205-W212 WeakPolarHBondContact O-CZ2 3.45Å; A205-W212 PolarHBondContact O-NE1 3.37Å; F209-W212 HydrophobicContact CD2-CD2 4.15Å; F209-W212 HydrophobicContact CD2-CE3 4.11Å; F209-W212 HydrophobicContact CE2-CE3 4.5Å; F209-W212 WeakPolarHBondContact O-CB 3.43Å; F209-W212 PolarHBondContact O-N 2.97Å; F209-W212 VanDerWaalsContact O-N 3.14Å; W212-M216 HydrophobicContact CB-CB 4.43Å; W212-M216 HydrophobicContact CD2-CB 4.36Å; W212-M216 HydrophobicContact CE3-CB 3.62Å; W212-M216 HydrophobicContact CE3-CE 4.23Å; W212-M216 HydrophobicContact CH2-CE 4.29Å; W212-M216 HydrophobicContact CZ3-CB 4.23Å; W212-M216 HydrophobicContact CZ3-CE 3.81Å; W212-R217 HydrophobicContact CB-CG 3.87Å; W212-R217 PolarHBondContact O-NE 2.77Å; W212-R217 PolarHBondContact O-NH2 3.03Å; W212-V220 HydrophobicContact CE3-CG2 4.17Å; W212-V220 HydrophobicContact CH2-CG2 4.36Å; W212-V220 HydrophobicContact CZ3-CG2 3.51Å
213P91.3Very high91.3Very high81 Ų8191.5 Ų91.553%0.52649%0.494SS..  trans-61.8155.8174.728.1-35000110.9E215 M216 R217P213-E215 VanDerWaalsContact C-N 3.33Å; P213-E215 PolarHBondContact O-N 2.85Å; P213-M216 HydrophobicContact CG-CB 4.05Å; P213-M216 HydrophobicContact CG-CG 3.74Å; P213-M216 PolarHBondContact O-N 2.75Å; P213-M216 VanDerWaalsContact O-N 3.12Å; P213-R217 PolarHBondContact O-N 3.36Å
214A88Confident91.2Very high49 Ų4991.5 Ų91.541%0.40550%0.498SS..Hα-helixtrans-53.8-47.9-173.400000112.4M216 R217 V218A214-M216 VanDerWaalsContact C-N 3.31Å; A214-M216 PolarHBondContact O-N 3.25Å; A214-R217 PolarHBondContact O-N 3.01Å; A214-R217 VanDerWaalsContact O-N 3.09Å; A214-V218 WeakPolarHBondContact O-CG2 3.36Å; A214-V218 PolarHBondContact O-N 3.13Å
215E89.5Confident91.2Very high150 Ų15090.3 Ų90.370%0.70149%0.494SS*.Hα-helixtrans-54.1-42.6178.5-48.1-43.7118.900113.2P213 V218 G219P213-E215 VanDerWaalsContact C-N 3.33Å; P213-E215 PolarHBondContact O-N 2.85Å; E215-V218 PolarHBondContact O-N 3.32Å; E215-G219 PolarHBondContact O-N 2.96Å
216M88.4Confident91.5Very high100 Ų10091.3 Ų91.349%0.49350%0.502SS..Hα-helixtrans-71.2-35.1-179.8-70.1-68.6-6800111.9W212 P213 A214 G219 V220W212-M216 HydrophobicContact CB-CB 4.43Å; W212-M216 HydrophobicContact CD2-CB 4.36Å; W212-M216 HydrophobicContact CE3-CB 3.62Å; W212-M216 HydrophobicContact CE3-CE 4.23Å; W212-M216 HydrophobicContact CH2-CE 4.29Å; W212-M216 HydrophobicContact CZ3-CB 4.23Å; W212-M216 HydrophobicContact CZ3-CE 3.81Å; P213-M216 HydrophobicContact CG-CB 4.05Å; P213-M216 HydrophobicContact CG-CG 3.74Å; P213-M216 PolarHBondContact O-N 2.75Å; P213-M216 VanDerWaalsContact O-N 3.12Å; A214-M216 VanDerWaalsContact C-N 3.31Å; A214-M216 PolarHBondContact O-N 3.25Å; M216-G219 PolarHBondContact O-N 3.29Å; M216-V220 WeakPolarHBondContact O-CG2 3.31Å; M216-V220 PolarHBondContact O-N 3.46Å
217R90.4Very high91.7Very high114 Ų11490.5 Ų90.543%0.4350%0.496SS..Hα-helixtrans-69-36173.5-72.6-175.1-79.9123.3-5.1112F209 W212 P213 A214 Y221F209-R217 HydrophobicContact CE2-CG 4.02Å; F209-R217 HydrophobicContact CZ-CG 4.13Å; W212-R217 HydrophobicContact CB-CG 3.87Å; W212-R217 PolarHBondContact O-NE 2.77Å; W212-R217 PolarHBondContact O-NH2 3.03Å; P213-R217 PolarHBondContact O-N 3.36Å; A214-R217 PolarHBondContact O-N 3.01Å; A214-R217 VanDerWaalsContact O-N 3.09Å; R217-Y221 WeakPolarHBondContact O-CB 2.94Å; R217-Y221 PolarHBondContact O-N 2.81Å
218V91.8Very high91.8Very high68 Ų6887.5 Ų87.541%0.41249%0.485SS..Hα-helixtrans-65.8-41.1171.4171.50000111A214 E215 Y221 Y222A214-V218 WeakPolarHBondContact O-CG2 3.36Å; A214-V218 PolarHBondContact O-N 3.13Å; E215-V218 PolarHBondContact O-N 3.32Å; V218-Y221 WeakPolarHBondContact O-CB 3.39Å; V218-Y221 PolarHBondContact O-N 3.42Å; V218-Y222 HydrophobicContact CG1-CD2 3.65Å; V218-Y222 HydrophobicContact CG1-CE2 3.39Å; V218-Y222 VanDerWaalsContact O-CD2 3.26Å; V218-Y222 WeakPolarHBondContact O-CD2 3.28Å; V218-Y222 PolarHBondContact O-N 3.49Å
219G91.8Very high92Very high39 Ų3987.5 Ų87.540%0.40249%0.491SS..Hα-helixtrans-59.8-48173.700000113.2E215 M216 Y221 Y222 L223E215-G219 PolarHBondContact O-N 2.96Å; M216-G219 PolarHBondContact O-N 3.29Å; G219-Y221 VanDerWaalsContact C-N 3.33Å; G219-Y221 PolarHBondContact O-N 2.91Å; G219-Y222 PolarHBondContact O-N 2.76Å; G219-L223 WeakPolarHBondContact O-CB 3.49Å; G219-L223 PolarHBondContact O-N 3.44Å
220V91.7Very high92.4Very high53 Ų5388 Ų8832%0.32149%0.493SS..Hα-helixtrans-63.1-38.8175.6172.50000111.8F209 W212 M216 L223 S224F209-V220 HydrophobicContact CE2-CB 4.2Å; F209-V220 HydrophobicContact CE2-CG1 4.02Å; F209-V220 HydrophobicContact CE2-CG2 4.36Å; W212-V220 HydrophobicContact CE3-CG2 4.17Å; W212-V220 HydrophobicContact CH2-CG2 4.36Å; W212-V220 HydrophobicContact CZ3-CG2 3.51Å; M216-V220 WeakPolarHBondContact O-CG2 3.31Å; M216-V220 PolarHBondContact O-N 3.46Å; V220-L223 PolarHBondContact O-N 3.32Å; V220-S224 VanDerWaalsContact O-CB 3.28Å; V220-S224 WeakPolarHBondContact O-CB 3.26Å; V220-S224 PolarHBondContact O-N 2.87Å
221Y92.5Very high92.6Very high147 Ų14787.6 Ų87.658%0.57649%0.489SS*.Hα-helixtrans-60-50.3174171.6-98000111.7R217 V218 G219 L223 S224 V225R217-Y221 WeakPolarHBondContact O-CB 2.94Å; R217-Y221 PolarHBondContact O-N 2.81Å; V218-Y221 WeakPolarHBondContact O-CB 3.39Å; V218-Y221 PolarHBondContact O-N 3.42Å; G219-Y221 VanDerWaalsContact C-N 3.33Å; G219-Y221 PolarHBondContact O-N 2.91Å; Y221-L223 VanDerWaalsContact C-N 3.35Å; Y221-L223 PolarHBondContact O-N 2.86Å; Y221-S224 PolarHBondContact O-N 3.4Å; Y221-V225 HydrophobicContact CD2-CG2 4.36Å; Y221-V225 HydrophobicContact CE1-CG2 4.1Å; Y221-V225 HydrophobicContact CE2-CG2 3.94Å; Y221-V225 WeakPolarHBondContact O-CG2 3.26Å; Y221-V225 PolarHBondContact O-N 3.14Å
222Y95.7Very high92.8Very high156 Ų15683.7 Ų83.761%0.61248%0.476SS*.Hα-helixtrans-65.1-36.3178-75.4-57.2000113V218 G219 V225 A226V218-Y222 HydrophobicContact CG1-CD2 3.65Å; V218-Y222 HydrophobicContact CG1-CE2 3.39Å; V218-Y222 VanDerWaalsContact O-CD2 3.26Å; V218-Y222 WeakPolarHBondContact O-CD2 3.28Å; V218-Y222 PolarHBondContact O-N 3.49Å; G219-Y222 PolarHBondContact O-N 2.76Å; Y222-V225 PolarHBondContact O-N 3.48Å; Y222-A226 VanDerWaalsContact O-CB 3.28Å; Y222-A226 WeakPolarHBondContact O-CB 3.36Å; Y222-A226 PolarHBondContact O-N 3.27Å
223L94Very high92.8Very high124 Ų12483.5 Ų83.565%0.64948%0.484SS*.Hα-helixtrans-65.3-41.9174.6-176.662.4000111.8G219 V220 Y221 A226 A227G219-L223 WeakPolarHBondContact O-CB 3.49Å; G219-L223 PolarHBondContact O-N 3.44Å; V220-L223 PolarHBondContact O-N 3.32Å; Y221-L223 VanDerWaalsContact C-N 3.35Å; Y221-L223 PolarHBondContact O-N 2.86Å; L223-A226 PolarHBondContact O-N 2.91Å; L223-A227 WeakPolarHBondContact O-CB 3.5Å; L223-A227 PolarHBondContact O-N 3.18Å
224S93.5Very high92.7Very high83 Ų8382.2 Ų82.258%0.5847%0.472SS*.Hα-helixtrans-64.9-42.3175.5179.20000112V220 Y221 A227 G228V220-S224 VanDerWaalsContact O-CB 3.28Å; V220-S224 WeakPolarHBondContact O-CB 3.26Å; V220-S224 PolarHBondContact O-N 2.87Å; Y221-S224 PolarHBondContact O-N 3.4Å; S224-A227 PolarHBondContact O-N 2.63Å; S224-G228 PolarHBondContact O-N 3.37Å
225V96.5Very high92.8Very high60 Ų6085.2 Ų85.236%0.36448%0.48SS..Hα-helixtrans-64.4-42.4173.6171.30000111.1Y221 Y222 G228 C229Y221-V225 HydrophobicContact CD2-CG2 4.36Å; Y221-V225 HydrophobicContact CE1-CG2 4.1Å; Y221-V225 HydrophobicContact CE2-CG2 3.94Å; Y221-V225 WeakPolarHBondContact O-CG2 3.26Å; Y221-V225 PolarHBondContact O-N 3.14Å; Y222-V225 PolarHBondContact O-N 3.48Å; V225-G228 PolarHBondContact O-N 2.96Å; V225-C229 WeakPolarHBondContact O-CB 3.48Å; V225-C229 PolarHBondContact O-N 3.31Å; V225-C229 PolarHBondContact O-SG 3.02Å
226A96.5Very high92.8Very high57 Ų5783.5 Ų83.547%0.47148%0.475SS..Hα-helixtrans-63.2-45.2177.200000112.2Y222 L223 C229 F230Y222-A226 VanDerWaalsContact O-CB 3.28Å; Y222-A226 WeakPolarHBondContact O-CB 3.36Å; Y222-A226 PolarHBondContact O-N 3.27Å; L223-A226 PolarHBondContact O-N 2.91Å; A226-C229 PolarHBondContact O-N 3.15Å; A226-F230 WeakPolarHBondContact O-CB 3.33Å; A226-F230 PolarHBondContact O-N 2.99Å
227A95.6Very high92.7Very high52 Ų5281.2 Ų81.243%0.4347%0.465SS..Hα-helixtrans-62.6-42.3174.400000111.9L223 S224 F230 V231L223-A227 WeakPolarHBondContact O-CB 3.5Å; L223-A227 PolarHBondContact O-N 3.18Å; S224-A227 PolarHBondContact O-N 2.63Å; A227-F230 PolarHBondContact O-N 3.4Å; A227-V231 WeakPolarHBondContact O-CG2 3.49Å; A227-V231 PolarHBondContact O-N 2.84Å
228G95.8Very high92.5Very high39 Ų3977.1 Ų77.140%0.40246%0.456SS..Hα-helixtrans-61.4-43.8174.200000112.8S224 V225 F230 V231 A232S224-G228 PolarHBondContact O-N 3.37Å; V225-G228 PolarHBondContact O-N 2.96Å; G228-F230 VanDerWaalsContact C-N 3.32Å; G228-F230 PolarHBondContact O-N 3.01Å; G228-V231 PolarHBondContact O-N 2.87Å; G228-A232 WeakPolarHBondContact O-CB 3.36Å; G228-A232 PolarHBondContact O-N 2.82Å
229C95.2Very high92.4Very high80 Ų8077.5 Ų77.554%0.54146%0.458SS..Hα-helixtrans-65.1-33.4174.5-73.20000112.9V225 A226 S233V225-C229 WeakPolarHBondContact O-CB 3.48Å; V225-C229 PolarHBondContact O-N 3.31Å; V225-C229 PolarHBondContact O-SG 3.02Å; A226-C229 PolarHBondContact O-N 3.15Å; C229-S233 WeakPolarHBondContact O-CB 3.49Å; C229-S233 PolarHBondContact O-N 3.46Å; C229-S233 PolarHBondContact O-OG 3.08Å
230F93.1Very high92.2Very high97 Ų9777.1 Ų77.143%0.42545%0.451SS..Hα-helixtrans-70.2-45.6175.6174.4-99.3000112.1A226 A227 G228 A232 S233 I234 F270A226-F230 WeakPolarHBondContact O-CB 3.33Å; A226-F230 PolarHBondContact O-N 2.99Å; A227-F230 PolarHBondContact O-N 3.4Å; G228-F230 VanDerWaalsContact C-N 3.32Å; G228-F230 PolarHBondContact O-N 3.01Å; F230-A232 VanDerWaalsContact C-N 3.34Å; F230-A232 PolarHBondContact O-N 3.35Å; F230-S233 PolarHBondContact O-N 2.87Å; F230-S233 PolarHBondContact O-OG 2.73Å; F230-I234 HydrophobicContact CD1-CD1 4.09Å; F230-I234 HydrophobicContact CE1-CD1 3.66Å; F230-I234 HydrophobicContact CE2-CD1 4.19Å; F230-I234 HydrophobicContact CZ-CD1 3.72Å; F230-I234 WeakPolarHBondContact O-CG1 3.4Å; F230-I234 PolarHBondContact O-N 2.98Å; F230-I234 VanDerWaalsContact O-N 3.12Å; F230-F270 AromaticContact CE2-CE2 3.74Å; F230-F270 HydrophobicContact CE2-CE2 3.74Å; F230-F270 HydrophobicContact CE2-CZ 4.03Å; F230-F270 HydrophobicContact CZ-CD2 4.23Å; F230-F270 AromaticContact CZ-CE2 3.53Å; F230-F270 HydrophobicContact CZ-CE2 3.53Å; F230-F270 HydrophobicContact CZ-CZ 4.2Å
231V92.4Very high91.9Very high95 Ų9576 Ų7658%0.57644%0.441SS*.Hα-helixtrans-62.9-42.6173173.70000110.9A227 G228 S233 I234 L235A227-V231 WeakPolarHBondContact O-CG2 3.49Å; A227-V231 PolarHBondContact O-N 2.84Å; G228-V231 PolarHBondContact O-N 2.87Å; V231-S233 PolarHBondContact O-N 3.1Å; V231-I234 PolarHBondContact O-N 3.29Å; V231-L235 WeakPolarHBondContact O-CB 3.47Å; V231-L235 PolarHBondContact O-N 2.98Å
232A93.8Very high91.5Very high56 Ų5672.5 Ų72.546%0.46344%0.437SS..Hα-helixtrans-65.6-33.9177.500000113.2G228 F230 L236G228-A232 WeakPolarHBondContact O-CB 3.36Å; G228-A232 PolarHBondContact O-N 2.82Å; F230-A232 VanDerWaalsContact C-N 3.34Å; F230-A232 PolarHBondContact O-N 3.35Å; A232-L236 VanDerWaalsContact O-CB 3.28Å; A232-L236 WeakPolarHBondContact O-CB 3.4Å; A232-L236 PolarHBondContact O-N 2.99Å
233S91.1Very high91.2Very high54 Ų5469.3 Ų69.338%0.37843%0.429SS..Hα-helixtrans-73.5-37.6177.571.20000112.2C229 F230 V231 L236 L237C229-S233 WeakPolarHBondContact O-CB 3.49Å; C229-S233 PolarHBondContact O-N 3.46Å; C229-S233 PolarHBondContact O-OG 3.08Å; F230-S233 PolarHBondContact O-N 2.87Å; F230-S233 PolarHBondContact O-OG 2.73Å; V231-S233 PolarHBondContact O-N 3.1Å; S233-L236 PolarHBondContact O-N 3.5Å; S233-L237 WeakPolarHBondContact O-CB 3.33Å; S233-L237 VanDerWaalsContact O-CG 3.26Å; S233-L237 WeakPolarHBondContact O-CG 3.34Å; S233-L237 PolarHBondContact O-N 3.2Å
234I89.4Confident90.7Very high53 Ų5366.6 Ų66.627%0.27242%0.415SS..Hα-helixtrans-61.8-45.6171.6-67.3168.6000110.5F230 V231 L236 L237 A238F230-I234 HydrophobicContact CD1-CD1 4.09Å; F230-I234 HydrophobicContact CE1-CD1 3.66Å; F230-I234 HydrophobicContact CE2-CD1 4.19Å; F230-I234 HydrophobicContact CZ-CD1 3.72Å; F230-I234 WeakPolarHBondContact O-CG1 3.4Å; F230-I234 PolarHBondContact O-N 2.98Å; F230-I234 VanDerWaalsContact O-N 3.12Å; V231-I234 PolarHBondContact O-N 3.29Å; I234-L236 PolarHBondContact O-N 3.17Å; I234-L237 PolarHBondContact O-N 3.49Å; I234-A238 PolarHBondContact O-N 3.05Å
235L89.3Confident90.3Very high112 Ų11264.7 Ų64.759%0.58640%0.397SS*.Hα-helixtrans-61.9-44.2176.4-170.4156.2000111.6V231 L237 A238 V239V231-L235 WeakPolarHBondContact O-CB 3.47Å; V231-L235 PolarHBondContact O-N 2.98Å; L235-L237 VanDerWaalsContact C-N 3.35Å; L235-L237 PolarHBondContact O-N 3.46Å; L235-A238 PolarHBondContact O-N 2.9Å; L235-V239 HydrophobicContact CD2-CG2 4.19Å; L235-V239 WeakPolarHBondContact O-CG2 3.49Å; L235-V239 PolarHBondContact O-N 2.88Å
236L90.3Very high89.7Confident115 Ų11566.8 Ų66.860%0.60241%0.405SS*.Hα-helixtrans-63.8-38.7176.7-171.1153000111.8A232 S233 I234 V239 A240A232-L236 VanDerWaalsContact O-CB 3.28Å; A232-L236 WeakPolarHBondContact O-CB 3.4Å; A232-L236 PolarHBondContact O-N 2.99Å; S233-L236 PolarHBondContact O-N 3.5Å; I234-L236 PolarHBondContact O-N 3.17Å; L236-V239 PolarHBondContact O-N 3.04Å; L236-A240 VanDerWaalsContact O-CB 3.28Å; L236-A240 WeakPolarHBondContact O-CB 3.28Å; L236-A240 PolarHBondContact O-N 3.12Å
237L87.4Confident89.3Confident52 Ų5268.4 Ų68.427%0.27241%0.405SS..Hα-helixtrans-64.5-39.3174.1-75.6168.3000112.2S233 I234 L235 A240 R241 L264S233-L237 WeakPolarHBondContact O-CB 3.33Å; S233-L237 VanDerWaalsContact O-CG 3.26Å; S233-L237 WeakPolarHBondContact O-CG 3.34Å; S233-L237 PolarHBondContact O-N 3.2Å; I234-L237 PolarHBondContact O-N 3.49Å; L235-L237 VanDerWaalsContact C-N 3.35Å; L235-L237 PolarHBondContact O-N 3.46Å; L237-A240 PolarHBondContact O-N 3.45Å; L237-R241 WeakPolarHBondContact O-CB 3.36Å; L237-R241 PolarHBondContact O-N 3.33Å; L237-L264 HydrophobicContact CB-CD2 3.8Å
238A86.3Confident88.7Confident28 Ų2868 Ų6823%0.23140%0.395CS..Hα-helixtrans-63.7-43.2174.200000112I234 L235 R241 C242I234-A238 PolarHBondContact O-N 3.05Å; L235-A238 PolarHBondContact O-N 2.9Å; A238-R241 WeakPolarHBondContact O-CB 3.39Å; A238-R241 PolarHBondContact O-N 2.84Å; A238-C242 PolarHBondContact O-N 3.36Å; A238-C242 PolarHBondContact O-SG 2.9Å
239V88.5Confident88.1Confident76 Ų7671.7 Ų71.746%0.46140%0.397SS..Hα-helixtrans-65.6-41.6174174.30000111.5L235 L236 R241 C242 I243L235-V239 HydrophobicContact CD2-CG2 4.19Å; L235-V239 WeakPolarHBondContact O-CG2 3.49Å; L235-V239 PolarHBondContact O-N 2.88Å; L236-V239 PolarHBondContact O-N 3.04Å; V239-R241 PolarHBondContact O-N 3.26Å; V239-C242 WeakPolarHBondContact O-CB 3.44Å; V239-C242 PolarHBondContact O-N 3.22Å; V239-C242 VanDerWaalsContact O-N 3.17Å; V239-I243 HydrophobicContact CG1-CD1 3.86Å; V239-I243 HydrophobicContact CG1-CG1 4.46Å; V239-I243 WeakPolarHBondContact O-CG1 3.27Å; V239-I243 PolarHBondContact O-N 3.15Å
240A87.8Confident87.7Confident31 Ų3174 Ų7426%0.25640%0.404SS..Hα-helixtrans-63.1-39.5177.300000112.2L236 L237 I243 L244L236-A240 VanDerWaalsContact O-CB 3.28Å; L236-A240 WeakPolarHBondContact O-CB 3.28Å; L236-A240 PolarHBondContact O-N 3.12Å; L237-A240 PolarHBondContact O-N 3.45Å; A240-I243 PolarHBondContact O-N 3.48Å; A240-L244 WeakPolarHBondContact O-CB 3.4Å; A240-L244 VanDerWaalsContact O-CG 3.27Å; A240-L244 WeakPolarHBondContact O-CG 3.47Å; A240-L244 PolarHBondContact O-N 3.24Å
241R85.6Confident87.3Confident29 Ų2975.1 Ų75.111%0.10942%0.418CS..Hα-helixtrans-56-47170.1161.9-164.6179108.5-32.1111.5L237 A238 V239 L244 F245 W259 F260 L261 P262L237-R241 WeakPolarHBondContact O-CB 3.36Å; L237-R241 PolarHBondContact O-N 3.33Å; A238-R241 WeakPolarHBondContact O-CB 3.39Å; A238-R241 PolarHBondContact O-N 2.84Å; V239-R241 PolarHBondContact O-N 3.26Å; R241-L244 PolarHBondContact O-N 3.04Å; R241-F245 WeakPolarHBondContact O-CB 3.38Å; R241-F245 PolarHBondContact O-N 3.08Å; R241-W259 VanDerWaalsContact CZ-CD1 3.46Å; R241-F260 PolarHBondContact NH1-O 2.93Å; R241-L261 PolarHBondContact NH1-O 3.35Å; R241-P262 PolarHBondContact NH1-O 3.02Å; R241-P262 PolarHBondContact NH2-O 3.36Å
242C83.5Confident86.7Confident73 Ų7372.8 Ų72.849%0.49340%0.404SS..Hα-helixtrans-62.8-43.7176.4-66.40000112.3A238 V239 F245 L246A238-C242 PolarHBondContact O-N 3.36Å; A238-C242 PolarHBondContact O-SG 2.9Å; V239-C242 WeakPolarHBondContact O-CB 3.44Å; V239-C242 PolarHBondContact O-N 3.22Å; V239-C242 VanDerWaalsContact O-N 3.17Å; C242-F245 PolarHBondContact O-N 3.32Å; C242-L246 WeakPolarHBondContact O-CG 3.21Å; C242-L246 PolarHBondContact O-N 3.13Å
243I88.8Confident85.9Confident89 Ų8972.6 Ų72.646%0.45641%0.407SS..Hα-helixtrans-64.7-43.9178-67.2168.1000111.2V239 A240 F245 L246 I247V239-I243 HydrophobicContact CG1-CD1 3.86Å; V239-I243 HydrophobicContact CG1-CG1 4.46Å; V239-I243 WeakPolarHBondContact O-CG1 3.27Å; V239-I243 PolarHBondContact O-N 3.15Å; A240-I243 PolarHBondContact O-N 3.48Å; I243-F245 PolarHBondContact O-N 3.03Å; I243-L246 PolarHBondContact O-N 2.91Å; I243-I247 HydrophobicContact CG2-CD1 3.71Å; I243-I247 HydrophobicContact CG2-CG1 4.39Å; I243-I247 VanDerWaalsContact O-CG1 3.3Å; I243-I247 WeakPolarHBondContact O-CG1 3.19Å; I243-I247 PolarHBondContact O-N 3.35Å
244L85.4Confident85Confident68 Ų6871 Ų7136%0.35640%0.399SS..Hα-helixtrans-62.3-41.8176.4-73.8170.5000111.9A240 R241 I248 F260A240-L244 WeakPolarHBondContact O-CB 3.4Å; A240-L244 VanDerWaalsContact O-CG 3.27Å; A240-L244 WeakPolarHBondContact O-CG 3.47Å; A240-L244 PolarHBondContact O-N 3.24Å; R241-L244 PolarHBondContact O-N 3.04Å; L244-I248 WeakPolarHBondContact O-CB 3.39Å; L244-I248 WeakPolarHBondContact O-CG1 3.32Å; L244-I248 PolarHBondContact O-N 3.06Å; L244-F260 HydrophobicContact CD1-CB 4.18Å; L244-F260 HydrophobicContact CD1-CD1 4.41Å; L244-F260 HydrophobicContact CD1-CG 4.21Å
245F83.9Confident84.1Confident43 Ų4374.7 Ų74.719%0.18941%0.41CS..Hα-helixtrans-60.1-50.2173.3171.5-111.9000111.3R241 C242 I243 I247 I248 W249 H257 W259R241-F245 WeakPolarHBondContact O-CB 3.38Å; R241-F245 PolarHBondContact O-N 3.08Å; C242-F245 PolarHBondContact O-N 3.32Å; I243-F245 PolarHBondContact O-N 3.03Å; F245-I247 PolarHBondContact O-N 3.05Å; F245-I248 PolarHBondContact O-N 2.89Å; F245-W249 HydrophobicContact CE2-CB 4.21Å; F245-W249 HydrophobicContact CZ-CB 4.25Å; F245-W249 AromaticContact CZ-CD1 3.81Å; F245-W249 HydrophobicContact CZ-CG 4.21Å; F245-W249 WeakPolarHBondContact O-CB 3.4Å; F245-W249 PolarHBondContact O-N 3.31Å; F245-H257 HydrophobicContact CE2-CB 4.26Å; F245-H257 AromaticContact CE2-CD2 3.99Å; F245-W259 AromaticContact CD2-CE3 3.98Å; F245-W259 HydrophobicContact CD2-CE3 3.98Å; F245-W259 HydrophobicContact CD2-CH2 4.17Å; F245-W259 AromaticContact CD2-CZ3 3.43Å; F245-W259 HydrophobicContact CD2-CZ3 3.43Å; F245-W259 VanDerWaalsContact CD2-CZ3 3.43Å; F245-W259 HydrophobicContact CE1-CH2 4.42Å; F245-W259 HydrophobicContact CE2-CE3 4.34Å; F245-W259 HydrophobicContact CE2-CH2 4.09Å; F245-W259 AromaticContact CE2-CZ3 3.44Å; F245-W259 HydrophobicContact CE2-CZ3 3.44Å; F245-W259 VanDerWaalsContact CE2-CZ3 3.44Å; F245-W259 HydrophobicContact CG-CH2 4.39Å; F245-W259 HydrophobicContact CG-CZ3 4.03Å; F245-W259 HydrophobicContact CZ-CH2 4.21Å; F245-W259 HydrophobicContact CZ-CZ3 4.01Å
246L84.6Confident83.3Confident104 Ų10471 Ų7155%0.54539%0.39SS..Hα-helixtrans-59.8-42.8179.4-72.5171.6000112.7C242 I243 L250C242-L246 WeakPolarHBondContact O-CG 3.21Å; C242-L246 PolarHBondContact O-N 3.13Å; I243-L246 PolarHBondContact O-N 2.91Å; L246-L250 VanDerWaalsContact O-CB 3.24Å; L246-L250 WeakPolarHBondContact O-CB 3.39Å; L246-L250 PolarHBondContact O-N 3.29Å
247I86.8Confident82.6Confident91 Ų9167.5 Ų67.547%0.46737%0.37SS..Hα-helixtrans-63.1-47.7177.8-69.6168.1000110.8I243 F245 L250 V251I243-I247 HydrophobicContact CG2-CD1 3.71Å; I243-I247 HydrophobicContact CG2-CG1 4.39Å; I243-I247 VanDerWaalsContact O-CG1 3.3Å; I243-I247 WeakPolarHBondContact O-CG1 3.19Å; I243-I247 PolarHBondContact O-N 3.35Å; F245-I247 PolarHBondContact O-N 3.05Å; I247-L250 PolarHBondContact O-N 3.34Å; I247-V251 HydrophobicContact CG2-CG2 4.32Å; I247-V251 WeakPolarHBondContact O-CB 3.44Å; I247-V251 VanDerWaalsContact O-CG2 3.25Å; I247-V251 WeakPolarHBondContact O-CG2 3.5Å; I247-V251 PolarHBondContact O-N 3.46Å
248I84.6Confident82.2Confident42 Ų4267 Ų6722%0.21537%0.365CS..Hα-helixtrans-69.9-37.9-178.2-68.8166.6000111.1L244 F245 T252 H256 F258L244-I248 WeakPolarHBondContact O-CB 3.39Å; L244-I248 WeakPolarHBondContact O-CG1 3.32Å; L244-I248 PolarHBondContact O-N 3.06Å; F245-I248 PolarHBondContact O-N 2.89Å; I248-T252 WeakPolarHBondContact O-CB 3.17Å; I248-T252 PolarHBondContact O-N 3.18Å; I248-T252 PolarHBondContact O-OG1 3.25Å; I248-H256 HydrophobicContact CG2-CB 4.13Å; I248-F258 HydrophobicContact CB-CB 4.4Å; I248-F258 HydrophobicContact CD1-CB 3.59Å; I248-F258 HydrophobicContact CD1-CD1 3.43Å; I248-F258 VanDerWaalsContact CD1-CD1 3.43Å; I248-F258 HydrophobicContact CD1-CD2 4.46Å; I248-F258 HydrophobicContact CD1-CE1 4.19Å; I248-F258 HydrophobicContact CD1-CG 3.58Å; I248-F258 HydrophobicContact CG2-CB 4.01Å
249W83.6Confident81.7Confident118 Ų11870.2 Ų70.245%0.44737%0.372SS..Hα-helixtrans-61.2-46.9173.9-178.292.6000111.3F245 G253 G254F245-W249 HydrophobicContact CE2-CB 4.21Å; F245-W249 HydrophobicContact CZ-CB 4.25Å; F245-W249 AromaticContact CZ-CD1 3.81Å; F245-W249 HydrophobicContact CZ-CG 4.21Å; F245-W249 WeakPolarHBondContact O-CB 3.4Å; F245-W249 PolarHBondContact O-N 3.31Å; W249-G253 PolarHBondContact O-N 3.34Å; W249-G253 VanDerWaalsContact O-N 3.08Å; W249-G254 PolarHBondContact O-N 2.89Å
250L85.2Confident80.9Confident129 Ų12969.3 Ų69.368%0.67536%0.362SS*.Hα-helixtrans-66.3-51.4179-174.969000112.1L246 I247 T252 G253L246-L250 VanDerWaalsContact O-CB 3.24Å; L246-L250 WeakPolarHBondContact O-CB 3.39Å; L246-L250 PolarHBondContact O-N 3.29Å; I247-L250 PolarHBondContact O-N 3.34Å; L250-T252 PolarHBondContact O-N 2.73Å; L250-G253 PolarHBondContact O-N 3.37Å
251V85.3Confident80.3Confident120 Ų12068.3 Ų68.373%0.72735%0.352SS*.Hα-helixtrans-61.9-32.8-178.7169.10000112.1I247I247-V251 HydrophobicContact CG2-CG2 4.32Å; I247-V251 WeakPolarHBondContact O-CB 3.44Å; I247-V251 VanDerWaalsContact O-CG2 3.25Å; I247-V251 WeakPolarHBondContact O-CG2 3.5Å; I247-V251 PolarHBondContact O-N 3.46Å
252T79.5Confident79.3Confident46 Ų4668 Ų6828%0.28235%0.354SS..THydrogen-bonded Turntrans-105.115-177.4-10.80000114.2I248 L250 G254 R255 H256I248-T252 WeakPolarHBondContact O-CB 3.17Å; I248-T252 PolarHBondContact O-N 3.18Å; I248-T252 PolarHBondContact O-OG1 3.25Å; L250-T252 PolarHBondContact O-N 2.73Å; T252-G254 PolarHBondContact O-N 3.2Å; T252-R255 PolarHBondContact O-N 3.41Å; T252-H256 WeakPolarHBondContact CG2-CD2 3.28Å
253G76.4Confident78.8Confident51 Ų5166.7 Ų66.753%0.52634%0.342SS..THydrogen-bonded Turntrans56.546.9173.900000113.5W249 L250 R255W249-G253 PolarHBondContact O-N 3.34Å; W249-G253 VanDerWaalsContact O-N 3.08Å; L250-G253 PolarHBondContact O-N 3.37Å; G253-R255 PolarHBondContact O-N 3.13Å; G253-R255 VanDerWaalsContact O-N 3.14Å
254G73.8Confident78.1Confident21 Ų2163.4 Ų63.422%0.21633%0.325CS..THydrogen-bonded Turntrans74.6-8.5178.400000116.7W249 T252 H256 H257W249-G254 PolarHBondContact O-N 2.89Å; T252-G254 PolarHBondContact O-N 3.2Å; G254-H256 PolarHBondContact O-N 3.07Å; G254-H257 PolarHBondContact O-CE1 2.9Å
255R69.9Low77.3Confident131 Ų13164.9 Ų64.949%0.49434%0.337SS..  trans-77-19.3-172-60.6-178.2-174.985.8-2.6114.7T252 G253 Y282 K283T252-R255 PolarHBondContact O-N 3.41Å; G253-R255 PolarHBondContact O-N 3.13Å; G253-R255 VanDerWaalsContact O-N 3.14Å; R255-Y282 HydrophobicContact CB-CD2 4.49Å; R255-Y282 HydrophobicContact CB-CE2 3.96Å; R255-Y282 WeakPolarHBondContact O-CD2 3.44Å; R255-K283 PolarHBondContact O-N 3.14Å
256H72.8Confident77Confident35 Ų3564.9 Ų64.916%0.16235%0.345CS..EExtended strand (participates in β ladder)trans-120.6126.2-176.9-68.1-109.9000110.9I248 T252 G254 H280 Y282I248-H256 HydrophobicContact CG2-CB 4.13Å; T252-H256 WeakPolarHBondContact CG2-CD2 3.28Å; G254-H256 PolarHBondContact O-N 3.07Å; H256-H280 AromaticContact CE1-CE1 3.28Å; H256-H280 PolarHBondContact CE1-CE1 3.43Å; H256-H280 AromaticContact CE1-NE2 3.59Å; H256-H280 AromaticContact CG-NE2 3.45Å; H256-H280 AromaticContact ND1-CE1 2.85Å; H256-H280 PolarHBondContact ND1-CE1 3.23Å; H256-H280 AromaticContact ND1-NE2 2.63Å; H256-H280 PolarHBondContact ND1-NE2 2.77Å; H256-Y282 AromaticContact CD2-CD2 3.66Å; H256-Y282 AromaticContact CD2-CE2 3.8Å; H256-Y282 AromaticContact CE1-CD2 3.39Å; H256-Y282 WeakPolarHBondContact CE1-CD2 3.28Å; H256-Y282 AromaticContact CE1-CE2 3.8Å; H256-Y282 AromaticContact CG-CD2 3.94Å; H256-Y282 AromaticContact ND1-CD2 3.75Å; H256-Y282 AromaticContact NE2-CD2 3.31Å; H256-Y282 VanDerWaalsContact NE2-CD2 3.31Å; H256-Y282 WeakPolarHBondContact NE2-CD2 3.46Å; H256-Y282 AromaticContact NE2-CE2 3.29Å; H256-Y282 VanDerWaalsContact NE2-CE2 3.29Å; H256-Y282 WeakPolarHBondContact NE2-CE2 3.41Å
257H74.9Confident76.2Confident41 Ų4168.4 Ų68.419%0.1936%0.364CS..EExtended strand (participates in β ladder)trans-110.2102.7175.8-67.452.9000108.4F245 G254 W259 E281F245-H257 HydrophobicContact CE2-CB 4.26Å; F245-H257 AromaticContact CE2-CD2 3.99Å; G254-H257 PolarHBondContact O-CE1 2.9Å; H257-W259 HydrophobicContact CB-CE3 4.4Å; H257-W259 HydrophobicContact CB-CZ3 4.16Å; H257-E281 HydrophobicContact CB-CB 4.31Å; H257-E281 PolarHBondContact N-O 2.68Å; H257-E281 PolarHBondContact O-N 3.26Å
258F78.7Confident75.6Confident40 Ų4067 Ų6718%0.17536%0.36CS..EExtended strand (participates in β ladder)trans-101.9122.6177.7179.4-99000110.3I248 F260 Y278 H280I248-F258 HydrophobicContact CB-CB 4.4Å; I248-F258 HydrophobicContact CD1-CB 3.59Å; I248-F258 HydrophobicContact CD1-CD1 3.43Å; I248-F258 VanDerWaalsContact CD1-CD1 3.43Å; I248-F258 HydrophobicContact CD1-CD2 4.46Å; I248-F258 HydrophobicContact CD1-CE1 4.19Å; I248-F258 HydrophobicContact CD1-CG 3.58Å; I248-F258 HydrophobicContact CG2-CB 4.01Å; F258-F260 HydrophobicContact CE1-CB 3.94Å; F258-F260 HydrophobicContact CE1-CD2 4.26Å; F258-F260 HydrophobicContact CZ-CD2 4.28Å; F258-Y278 AromaticContact CE2-CD2 3.89Å; F258-Y278 HydrophobicContact CE2-CD2 3.89Å; F258-Y278 HydrophobicContact CE2-CG 4.03Å; F258-Y278 HydrophobicContact CZ-CG 4.32Å; F258-H280 HydrophobicContact CD2-CB 4.27Å
259W75.7Confident75.3Confident96 Ų9667.4 Ų67.436%0.36437%0.374SS..EExtended strand (participates in β ladder)trans-111.3108.7177.8-110.2-116.6000108.9R241 F245 H257 Y278 T279R241-W259 VanDerWaalsContact CZ-CD1 3.46Å; F245-W259 AromaticContact CD2-CE3 3.98Å; F245-W259 HydrophobicContact CD2-CE3 3.98Å; F245-W259 HydrophobicContact CD2-CH2 4.17Å; F245-W259 AromaticContact CD2-CZ3 3.43Å; F245-W259 HydrophobicContact CD2-CZ3 3.43Å; F245-W259 VanDerWaalsContact CD2-CZ3 3.43Å; F245-W259 HydrophobicContact CE1-CH2 4.42Å; F245-W259 HydrophobicContact CE2-CE3 4.34Å; F245-W259 HydrophobicContact CE2-CH2 4.09Å; F245-W259 AromaticContact CE2-CZ3 3.44Å; F245-W259 HydrophobicContact CE2-CZ3 3.44Å; F245-W259 VanDerWaalsContact CE2-CZ3 3.44Å; F245-W259 HydrophobicContact CG-CH2 4.39Å; F245-W259 HydrophobicContact CG-CZ3 4.03Å; F245-W259 HydrophobicContact CZ-CH2 4.21Å; F245-W259 HydrophobicContact CZ-CZ3 4.01Å; H257-W259 HydrophobicContact CB-CE3 4.4Å; H257-W259 HydrophobicContact CB-CZ3 4.16Å; W259-Y278 CarbonylContact O-C 3.53Å; W259-Y278 VanDerWaalsContact O-CA 3.31Å; W259-Y278 WeakPolarHBondContact O-CA 3.31Å; W259-T279 WeakPolarHBondContact CB-OG1 3.34Å; W259-T279 PolarHBondContact N-O 2.89Å; W259-T279 PolarHBondContact O-N 3.48Å
260F73.3Confident75Confident58 Ų5867.6 Ų67.625%0.25438%0.378SS..EExtended strand (participates in β ladder)trans-81.2129.5171.8-168.7-111.3000109.8R241 L244 F258R241-F260 PolarHBondContact NH1-O 2.93Å; L244-F260 HydrophobicContact CD1-CB 4.18Å; L244-F260 HydrophobicContact CD1-CD1 4.41Å; L244-F260 HydrophobicContact CD1-CG 4.21Å; F258-F260 HydrophobicContact CE1-CB 3.94Å; F258-F260 HydrophobicContact CE1-CD2 4.26Å; F258-F260 HydrophobicContact CZ-CD2 4.28Å
261L73.2Confident74.7Confident9 Ų966.9 Ų66.95%0.04737%0.374CS..SBendtrans48.361.6-174.7-64.7162.5000113R241 N263 L264 F274 L277R241-L261 PolarHBondContact NH1-O 3.35Å; L261-N263 PolarHBondContact O-N 2.83Å; L261-L264 HydrophobicContact CB-CB 4.03Å; L261-L264 HydrophobicContact CB-CD2 4.47Å; L261-L264 HydrophobicContact CD1-CD2 4.33Å; L261-L264 WeakPolarHBondContact O-CB 3.49Å; L261-L264 PolarHBondContact O-N 3.33Å; L261-F274 HydrophobicContact CD1-CD1 4.38Å; L261-F274 HydrophobicContact CD2-CB 4.23Å; L261-F274 HydrophobicContact CD2-CD1 3.94Å; L261-L277 WeakPolarHBondContact CA-O 3.49Å; L261-L277 HydrophobicContact CD2-CD1 4.32Å; L261-L277 HydrophobicContact CD2-CG 4.25Å; L261-L277 PolarHBondContact N-O 2.91Å
262P66.4Low74.4Confident22 Ų2265.3 Ų65.314%0.14336%0.361CS..G310 helixtrans-39-47-176.912-30.6000114.5R241 L264 P276 T279R241-P262 PolarHBondContact NH1-O 3.02Å; R241-P262 PolarHBondContact NH2-O 3.36Å; P262-L264 PolarHBondContact O-N 3.24Å; P262-P276 VanDerWaalsContact CD-O 3.31Å; P262-P276 WeakPolarHBondContact CD-O 3.11Å; P262-P276 HydrophobicContact CG-CG 3.83Å; P262-T279 HydrophobicContact CG-CG2 4.02Å
263N73.1Confident74.4Confident47 Ų4763.9 Ų63.925%0.25135%0.353SS..G310 helixtrans-84.80.8-172-64.85.7000115.4L261 T265 A266 V268 D272 S273 R275L261-N263 PolarHBondContact O-N 2.83Å; N263-T265 PolarHBondContact O-N 2.92Å; N263-A266 HydrophobicContact CB-CB 4.43Å; N263-A266 PolarHBondContact O-N 3.29Å; N263-A266 VanDerWaalsContact O-N 3.07Å; N263-V268 HydrophobicContact CB-CG2 4.02Å; N263-D272 WeakPolarHBondContact CB-O 3.48Å; N263-D272 PolarHBondContact ND2-O 2.89Å; N263-S273 CarbonylContact C-O 3.55Å; N263-R275 PolarHBondContact ND2-O 3.47Å
264L72.9Confident74.4Confident20 Ų2064.2 Ų64.211%0.10534%0.34CS..G310 helixtrans-59.8-19.8-176.8-172.363.7000114L237 L261 P262 S273 F274L237-L264 HydrophobicContact CB-CD2 3.8Å; L261-L264 HydrophobicContact CB-CB 4.03Å; L261-L264 HydrophobicContact CB-CD2 4.47Å; L261-L264 HydrophobicContact CD1-CD2 4.33Å; L261-L264 WeakPolarHBondContact O-CB 3.49Å; L261-L264 PolarHBondContact O-N 3.33Å; P262-L264 PolarHBondContact O-N 3.24Å; L264-S273 PolarHBondContact N-O 3.31Å; L264-F274 HydrophobicContact CD1-CE1 3.99Å; L264-F274 HydrophobicContact CD1-CZ 4.21Å
265T68.1Low74.5Confident99 Ų9971.3 Ų71.361%0.60736%0.361SS*.G310 helixtrans-13131.7178.567.40000111.1N263N263-T265 PolarHBondContact O-N 2.92Å
266A77.6Confident74.6Confident42 Ų4268.3 Ų68.335%0.34736%0.358SS..SBendtrans-108.8155.2171.600000109.2N263 V268N263-A266 HydrophobicContact CB-CB 4.43Å; N263-A266 PolarHBondContact O-N 3.29Å; N263-A266 VanDerWaalsContact O-N 3.07Å; A266-V268 HydrophobicContact CB-CG2 4.47Å; A266-V268 PolarHBondContact O-N 2.75Å
267D68.3Low74.4Confident179 Ų17971.7 Ų71.796%0.95738%0.377SS*.SBendtrans-76.469.2-179.2-51.4-65.5000110.7
268V75.4Confident74.5Confident62 Ų6276.9 Ų76.938%0.37640%0.396SS..SBendtrans-134.3152.9179-59.60000110.4N263 A266 D272 S273N263-V268 HydrophobicContact CB-CG2 4.02Å; A266-V268 HydrophobicContact CB-CG2 4.47Å; A266-V268 PolarHBondContact O-N 2.75Å; V268-D272 HydrophobicContact CB-CB 4.38Å; V268-D272 HydrophobicContact CG2-CB 4.27Å; V268-S273 PolarHBondContact O-OG 2.71Å
269G76.4Confident74.4Confident49 Ų4978 Ų7851%0.50541%0.406SS..  trans-56.4150.1-179.500000113.3I271 D272 S273G269-I271 PolarHBondContact O-N 2.93Å; G269-D272 PolarHBondContact O-N 2.68Å; G269-S273 PolarHBondContact O-N 3.03Å; G269-S273 PolarHBondContact O-OG 3.08Å; G269-S273 VanDerWaalsContact O-OG 3.13Å
270F78.6Confident74.4Confident123 Ų12379 Ų7954%0.53942%0.415SS..THydrogen-bonded Turntrans-47.5-33.6-171.5170.9-103.3000115.2F230 S273 F274F230-F270 AromaticContact CE2-CE2 3.74Å; F230-F270 HydrophobicContact CE2-CE2 3.74Å; F230-F270 HydrophobicContact CE2-CZ 4.03Å; F230-F270 HydrophobicContact CZ-CD2 4.23Å; F230-F270 AromaticContact CZ-CE2 3.53Å; F230-F270 HydrophobicContact CZ-CE2 3.53Å; F230-F270 HydrophobicContact CZ-CZ 4.2Å; F270-S273 WeakPolarHBondContact CA-OG 3.4Å; F270-F274 AromaticContact CD2-CE2 3.97Å; F270-F274 HydrophobicContact CD2-CE2 3.97Å; F270-F274 HydrophobicContact CE1-CE2 4.46Å; F270-F274 AromaticContact CE2-CE2 3.54Å; F270-F274 HydrophobicContact CE2-CE2 3.54Å; F270-F274 HydrophobicContact CE2-CZ 4.09Å; F270-F274 AromaticContact CZ-CE2 3.82Å; F270-F274 HydrophobicContact CZ-CE2 3.82Å; F270-F274 HydrophobicContact CZ-CZ 4.47Å; F270-F274 WeakPolarHBondContact O-CD2 3.26Å; F270-F274 VanDerWaalsContact O-CE2 3.31Å; F270-F274 WeakPolarHBondContact O-CE2 3.38Å
271I79.3Confident74.3Confident114 Ų11481.1 Ų81.159%0.58543%0.425SS*.THydrogen-bonded Turntrans-75-39.6-179.8-62.5175.6000111.3G269 F274G269-I271 PolarHBondContact O-N 2.93Å; I271-F274 PolarHBondContact O-N 3.46Å
272D77.1Confident74.1Confident86 Ų8686.7 Ų86.746%0.4645%0.447SS..G310 helixtrans-82.1-16.7180-64.9-50.4000113N263 V268 G269 F274 R275N263-D272 WeakPolarHBondContact CB-O 3.48Å; N263-D272 PolarHBondContact ND2-O 2.89Å; V268-D272 HydrophobicContact CB-CB 4.38Å; V268-D272 HydrophobicContact CG2-CB 4.27Å; G269-D272 PolarHBondContact O-N 2.68Å; D272-F274 PolarHBondContact O-N 3.38Å; D272-F274 VanDerWaalsContact O-N 3.1Å; D272-R275 PolarHBondContact O-N 3.1Å
273S80.2Confident73.9Confident16 Ų1690.2 Ų90.211%0.11246%0.459CS..G310 helixtrans-54.6-26.1164-41.20000112.1N263 L264 V268 G269 F270N263-S273 CarbonylContact C-O 3.55Å; L264-S273 PolarHBondContact N-O 3.31Å; V268-S273 PolarHBondContact O-OG 2.71Å; G269-S273 PolarHBondContact O-N 3.03Å; G269-S273 PolarHBondContact O-OG 3.08Å; G269-S273 VanDerWaalsContact O-OG 3.13Å; F270-S273 WeakPolarHBondContact CA-OG 3.4Å
274F75.9Confident73.1Confident59 Ų5989.3 Ų89.326%0.25946%0.462SS..G310 helixtrans-98.96.7177.2-59.8-82.4000115L261 L264 F270 I271 D272 L277L261-F274 HydrophobicContact CD1-CD1 4.38Å; L261-F274 HydrophobicContact CD2-CB 4.23Å; L261-F274 HydrophobicContact CD2-CD1 3.94Å; L264-F274 HydrophobicContact CD1-CE1 3.99Å; L264-F274 HydrophobicContact CD1-CZ 4.21Å; F270-F274 AromaticContact CD2-CE2 3.97Å; F270-F274 HydrophobicContact CD2-CE2 3.97Å; F270-F274 HydrophobicContact CE1-CE2 4.46Å; F270-F274 AromaticContact CE2-CE2 3.54Å; F270-F274 HydrophobicContact CE2-CE2 3.54Å; F270-F274 HydrophobicContact CE2-CZ 4.09Å; F270-F274 AromaticContact CZ-CE2 3.82Å; F270-F274 HydrophobicContact CZ-CE2 3.82Å; F270-F274 HydrophobicContact CZ-CZ 4.47Å; F270-F274 WeakPolarHBondContact O-CD2 3.26Å; F270-F274 VanDerWaalsContact O-CE2 3.31Å; F270-F274 WeakPolarHBondContact O-CE2 3.38Å; I271-F274 PolarHBondContact O-N 3.46Å; D272-F274 PolarHBondContact O-N 3.38Å; D272-F274 VanDerWaalsContact O-N 3.1Å; F274-L277 WeakPolarHBondContact O-CD1 3.35Å
275R76.8Confident72Confident169 Ų16993.9 Ų93.964%0.63849%0.493SS*.  trans-133.4131.3-179-68.1-176.6174.1-1750.9112N263 D272N263-R275 PolarHBondContact ND2-O 3.47Å; D272-R275 PolarHBondContact O-N 3.1Å
276P70.7Confident70.8Confident68 Ų68101.3 Ų101.344%0.44251%0.509SS..SBendcis-71.1156.9-5.830.6-35.1000112.3P262 Y278 T279P262-P276 VanDerWaalsContact CD-O 3.31Å; P262-P276 WeakPolarHBondContact CD-O 3.11Å; P262-P276 HydrophobicContact CG-CG 3.83Å; P276-Y278 VanDerWaalsContact C-N 3.29Å; P276-Y278 PolarHBondContact O-N 2.69Å; P276-T279 HydrophobicContact CG-CG2 4.12Å
277L70.1Confident68.8Low107 Ų107105.2 Ų105.256%0.5653%0.534SS*.SBendtrans-67.1-28.5-175.5-13283.6000113.5L261 F274L261-L277 WeakPolarHBondContact CA-O 3.49Å; L261-L277 HydrophobicContact CD2-CD1 4.32Å; L261-L277 HydrophobicContact CD2-CG 4.25Å; L261-L277 PolarHBondContact N-O 2.91Å; F274-L277 WeakPolarHBondContact O-CD1 3.35Å
278Y76.1Confident67.3Low149 Ų149101.9 Ų101.958%0.58453%0.525SS*.EExtended strand (participates in β ladder)trans-155.5155.7175.964.6-89.8000111.1F258 W259 P276F258-Y278 AromaticContact CE2-CD2 3.89Å; F258-Y278 HydrophobicContact CE2-CD2 3.89Å; F258-Y278 HydrophobicContact CE2-CG 4.03Å; F258-Y278 HydrophobicContact CZ-CG 4.32Å; W259-Y278 CarbonylContact O-C 3.53Å; W259-Y278 VanDerWaalsContact O-CA 3.31Å; W259-Y278 WeakPolarHBondContact O-CA 3.31Å; P276-Y278 VanDerWaalsContact C-N 3.29Å; P276-Y278 PolarHBondContact O-N 2.69Å
279T76.2Confident65.5Low63 Ų63104.8 Ų104.839%0.38754%0.538SS..EExtended strand (participates in β ladder)trans-130.2152.7165.444.70000110.2W259 P262 P276W259-T279 WeakPolarHBondContact CB-OG1 3.34Å; W259-T279 PolarHBondContact N-O 2.89Å; W259-T279 PolarHBondContact O-N 3.48Å; P262-T279 HydrophobicContact CG-CG2 4.02Å; P276-T279 HydrophobicContact CG-CG2 4.12Å
280H75.7Confident63.6Low119 Ų119110.8 Ų110.855%0.55155%0.55SS**EExtended strand (participates in β ladder)trans-141.3111.9-176.8177.7-89.6000109.4H256 F258H256-H280 AromaticContact CE1-CE1 3.28Å; H256-H280 PolarHBondContact CE1-CE1 3.43Å; H256-H280 AromaticContact CE1-NE2 3.59Å; H256-H280 AromaticContact CG-NE2 3.45Å; H256-H280 AromaticContact ND1-CE1 2.85Å; H256-H280 PolarHBondContact ND1-CE1 3.23Å; H256-H280 AromaticContact ND1-NE2 2.63Å; H256-H280 PolarHBondContact ND1-NE2 2.77Å; F258-H280 HydrophobicContact CD2-CB 4.27Å
281E71.7Confident61.2Low101 Ų101114.6 Ų114.647%0.47257%0.567SS.*EExtended strand (participates in β ladder)trans-106.6121.4177.4-170.4-166.8-17700109.3H257 K283H257-E281 HydrophobicContact CB-CB 4.31Å; H257-E281 PolarHBondContact N-O 2.68Å; H257-E281 PolarHBondContact O-N 3.26Å; E281-K283 VanDerWaalsContact CD-NZ 3.34Å; E281-K283 HydrophobicContact CG-CG 4.48Å; E281-K283 WeakPolarHBondContact OE1-CE 3.38Å; E281-K283 IonicContact OE1-NZ 3.87Å; E281-K283 PolarHBondContact OE1-NZ 3.38Å; E281-K283 VanDerWaalsContact OE2-CE 3.26Å; E281-K283 WeakPolarHBondContact OE2-CE 3.43Å; E281-K283 IonicContact OE2-NZ 3.41Å; E281-K283 PolarHBondContact OE2-NZ 3.34Å
282Y69.7Low58.8Low127 Ų127112 Ų11250%0.49857%0.567SS.*EExtended strand (participates in β ladder)trans-94.3111.5173.7178.1-118.6000110.7R255 H256 G284R255-Y282 HydrophobicContact CB-CD2 4.49Å; R255-Y282 HydrophobicContact CB-CE2 3.96Å; R255-Y282 WeakPolarHBondContact O-CD2 3.44Å; H256-Y282 AromaticContact CD2-CD2 3.66Å; H256-Y282 AromaticContact CD2-CE2 3.8Å; H256-Y282 AromaticContact CE1-CD2 3.39Å; H256-Y282 WeakPolarHBondContact CE1-CD2 3.28Å; H256-Y282 AromaticContact CE1-CE2 3.8Å; H256-Y282 AromaticContact CG-CD2 3.94Å; H256-Y282 AromaticContact ND1-CD2 3.75Å; H256-Y282 AromaticContact NE2-CD2 3.31Å; H256-Y282 VanDerWaalsContact NE2-CD2 3.31Å; H256-Y282 WeakPolarHBondContact NE2-CD2 3.46Å; H256-Y282 AromaticContact NE2-CE2 3.29Å; H256-Y282 VanDerWaalsContact NE2-CE2 3.29Å; H256-Y282 WeakPolarHBondContact NE2-CE2 3.41Å; Y282-G284 PolarHBondContact O-N 3.17Å
283K61.2Low56.4Low95 Ų95113.6 Ų113.641%0.41359%0.586SS.*  trans-95.779.1173.8-72.9-177.1174.1124.50109.4R255 E281R255-K283 PolarHBondContact O-N 3.14Å; E281-K283 VanDerWaalsContact CD-NZ 3.34Å; E281-K283 HydrophobicContact CG-CG 4.48Å; E281-K283 WeakPolarHBondContact OE1-CE 3.38Å; E281-K283 IonicContact OE1-NZ 3.87Å; E281-K283 PolarHBondContact OE1-NZ 3.38Å; E281-K283 VanDerWaalsContact OE2-CE 3.26Å; E281-K283 WeakPolarHBondContact OE2-CE 3.43Å; E281-K283 IonicContact OE2-NZ 3.41Å; E281-K283 PolarHBondContact OE2-NZ 3.34Å
284G56.4Low53.9Low29 Ų29118.7 Ų118.730%0.29961%0.612SS.*  trans-64.5165.3165.700000112.2Y282 R286Y282-G284 PolarHBondContact O-N 3.17Å; G284-R286 PolarHBondContact O-N 2.88Å
285P49.9Very low51.7Low116 Ų116123.4 Ų123.475%0.75363%0.632SS**  trans-59.5130.4-178.5-2334.1000112.5S287P285-S287 PolarHBondContact O-N 3.11Å
286R43.5Very low49.4Very low255 Ų255120.8 Ų120.896%0.96264%0.635SS**  trans-77.5111.5171.7-80-178.6166.3177.4-4.3110.1G284G284-R286 PolarHBondContact O-N 2.88Å
287S36Very low47.3Very low124 Ų124124.5 Ų124.587%0.86765%0.651SS**  trans-87.6138.1161.650.40000110.4P285P285-S287 PolarHBondContact O-N 3.11Å
288S35.7Very low45.3Very low108 Ų108127 Ų12776%0.75566%0.66SS**  trans-109.9142.3-177.751.10000112.6
289D38.8Very low42.9Very low124 Ų124127 Ų12766%0.66366%0.663SS**  trans67.4127.4155.1-86.1-98.5000123.1
290K35.1Very low40.5Very low174 Ų174130.6 Ų130.676%0.75768%0.68SS**  trans78.9104.4138.2-74.4-179.7-177.579.70122.6
291K30Very low38.2Very low204 Ų204128.6 Ų128.689%0.88769%0.691SS**  99.7114.6101.4-171.6-174.3178.1-173.60119.9
292G28Very low36.1Very low58 Ų58128.5 Ų128.560%0.59871%0.708SS**  trans151.3110.3156.800000109.6
293S26Very low34Very low121 Ų121126.9 Ų126.985%0.84672%0.72SS**  53.3122.570.476.50000112.4
294D27.5Very low32.5Very low123 Ų123127.6 Ų127.666%0.65874%0.737SS**  cis-165.4172.526.2-177.3-149.4000111.5
295K30.1Very low31.2Very low158 Ų158133.7 Ų133.769%0.68776%0.763SS**  trans75.1121170.3-68.4170.1179.871.60117.1
296T28.1Very low30.1Very low114 Ų114137.5 Ų137.570%0.69977%0.767SS**  69.513261.269.90000113.3
297D27.3Very low29.3Very low146 Ų146129.9 Ų129.978%0.78176%0.759SS**  cis-161.7-177.42.5-130.2-59.8000112.4
298E27.4Very low28.9Very low160 Ų160132 Ų13275%0.74876%0.755SS**  trans64.7102.6165.2-71.8-153.689.200122.8
299K26.8Very low28.5Very low149 Ų149135.3 Ų135.365%0.64876%0.756SS**  79.9145.2101.8-145.3-177.1174.3-71.10123.1
300D26.6Very low27.9Very low138 Ų138134.3 Ų134.374%0.73876%0.758SS**  trans68.3145.3161.8-66.7-29.1000121.4
301G26Very low27.5Very low76 Ų76132.7 Ų132.778%0.78476%0.758SS**  trans127.785.5146.300000118.6
302A27.2Very low27.5Very low100 Ų100127.5 Ų127.583%0.82675%0.747SS**  trans-44.2144.5176.300000119.4
303A26.9Very low27.5Very low92 Ų92131.1 Ų131.176%0.7675%0.753SS**  trans44.712114100000121.6
304S28.5Very low27.6Very low110 Ų110132.3 Ų132.377%0.76975%0.745SS**  171146.693.251.80000115.9
305L30.1Very low27.8Very low158 Ų158133.5 Ų133.583%0.82775%0.745SS**  trans39.8134.1144.5-66.1170.9000123.8
306K26.9Very low27.6Very low195 Ų195130.1 Ų130.185%0.84874%0.741SS**  trans85.5134.7143.4-85.9-177.1174.4179.10120.9
307A27.3Very low27.5Very low95 Ų95130.9 Ų130.979%0.78574%0.74SS**  trans64.3147.1145.900000118.3
308Q26.5Very low27.5Very low169 Ų169128.6 Ų128.679%0.7974%0.736SS**  cis172.7148.3-22.1-145.2-174.8-5.100104
309K27.7Very low27.6Very low178 Ų178128 Ų12877%0.77473%0.734SS**  trans70.8135.6173.9-63.8-178.1176.8-173.80113.9
310S25.5Very low27.7Very low102 Ų102127.8 Ų127.871%0.71373%0.732SS**  63.913770.1-38.70000111.5
311D26.9Very low27.8Very low141 Ų141128.7 Ų128.775%0.75473%0.73SS**  cis-157.9174.224.1-134.3-45.6000111.8
312S29.4Very low27.8Very low95 Ų95130 Ų13066%0.66472%0.719SS**  trans58.9160.4153.5-84.50000120.1
313D28.9Very low27.8Very low134 Ų134130.6 Ų130.672%0.71771%0.708SS**  cis-166.6-178.4-27.1-128.2-65000109.7
314E27.4Very low28Very low146 Ų146134.8 Ų134.868%0.68271%0.712SS**  trans71.3148.8161.9-52.1-128.6115.300116.8
315K32.4Very low28Very low148 Ų148138 Ų13864%0.64372%0.715SS**  cis-158.1165.6-1.3-133.1-176.5-179.977.10111.4
316S25.5Very low27.9Very low86 Ų86139.9 Ų139.960%0.60172%0.719SS**  trans26.2146.3134.7-75.90000121.7
317D26.8Very low27.9Very low130 Ų130137.4 Ų137.470%0.69572%0.715SS**  cis-167.8169.11.6-133.6-70.7000112
318S26.5Very low28Very low99 Ų99142.3 Ų142.369%0.69272%0.722SS**  trans62.9145.8150.675.50000118.7
319E29.5Very low28Very low148 Ų148141.8 Ų141.869%0.69273%0.725SS**  cis-165.4171.9-13.7-126.1-152.9123.300109.7
320K28.3Very low28Very low144 Ų144142.2 Ų142.263%0.62673%0.729SS**  trans72.8121.6147.3-84.7174.5171.866.40121.4
321K29.3Very low28Very low156 Ų156144.3 Ų144.368%0.67873%0.728SS**  66.7152124.6-70.4-159.1136.5-71.60117.6D323K321-D323 IonicContact NZ-OD1 3.68Å
322D26.7Very low28.1Very low103 Ų103142.2 Ų142.255%0.55173%0.725SS**  cis-160.4173.8-6.1-88.8-7.6000106.1
323D27.4Very low28.2Very low113 Ų113144.7 Ų144.760%0.60472%0.723SS**  cis-171171.9-31.1-84.7162.8000103K321K321-D323 IonicContact NZ-OD1 3.68Å
324E29.8Very low28.1Very low180 Ų180145.7 Ų145.784%0.84172%0.724SS**  cis-128.5-177.15.2-86.798.4153.200111.4
325E28.8Very low28.2Very low178 Ų178142.6 Ų142.683%0.83272%0.723SS**  trans-58.2164.1167.1-61.7168.5170.200116.7
326E29.2Very low28Very low198 Ų198145.8 Ų145.893%0.92574%0.737SS**  -167.6139.7118.7-107.6178.3-179.500111
327D26.3Very low27.9Very low143 Ų143145.4 Ų145.477%0.76575%0.746SS**  trans-89.9168.8179.4-64.4-72.6000112.5
328E29.6Very low27.9Very low198 Ų198146.8 Ų146.893%0.92575%0.754SS**  -174.9135.6113.8-100.1-178.1178.600111.6
329D25.4Very low28Very low157 Ų157145.4 Ų145.484%0.8475%0.748SS**  trans-82.1163.3174.4-68.7-70.8000112.4
330E28.3Very low28Very low187 Ų187145.3 Ų145.387%0.87476%0.758SS**  trans-157.3132.5141-106.3-6415600108.9
331E26.3Very low28.2Very low146 Ų146147.2 Ų147.268%0.68277%0.769SS**  trans-132.1161.9-179.5-158-134.5114.200109.8
332S29.3Very low28.1Very low98 Ų98147.5 Ų147.569%0.68578%0.778SS**  trans89.9155.4163.292.30000118.3
333K30.6Very low28.5Very low146 Ų146153.3 Ų153.364%0.63579%0.793SS**  cis-169.1148.7-24.2-112.8167.4171.2-1040110.7
334E27.6Very low28.8Very low156 Ų156157.2 Ų157.273%0.72981%0.807SS**  trans61163.8145.9-68.3174.6-131.800119.8
335A27.9Very low29Very low81 Ų81153.2 Ų153.267%0.66980%0.799SS**  cis-168.9160.4-31.600000113.5
336K28.5Very low29.1Very low214 Ų214151 Ų15193%0.9379%0.793SS**  trans68.7134.4148.2-82.1-178.3173.1-178.80125.6
337G24.1Very low29.2Very low78 Ų78147 Ų14780%0.80478%0.782SS**  trans98161.4135.300000119.4
338D26.2Very low29.5Very low160 Ų160146.6 Ų146.686%0.85678%0.779SS**  cis-165.5151.3-26.3-169.133.4000113
339A29.7Very low29.7Very low69 Ų69141.7 Ų141.757%0.5777%0.767SS**  trans38.7162.7154.800000128
340T28.3Very low30Very low147 Ų147141.9 Ų141.990%0.90277%0.768SS**  trans100.9152.215250.60000123.4
341E32.8Very low30.2Very low184 Ų184142.4 Ų142.486%0.8676%0.762SS**  trans-106.9169.6-163.4-52167.790.300113.6
342D28Very low30.5Very low162 Ų162147.1 Ų147.187%0.86677%0.774SS**  trans-160.9171136-131.5-36.4000114.7
343R33.9Very low30.9Very low225 Ų225150.3 Ų150.385%0.84978%0.778SS**  trans-117167.3-179-66.9175.6171176.9-2.9112.8
344H34.7Very low30.9Very low194 Ų194151.2 Ų151.290%0.89879%0.789SS**  trans-178.5-174.7140.3-104.9-140.8000112.7
345S33.5Very low31.3Very low97 Ų97153 Ų15368%0.67880%0.798SS**  trans-126.1-167.4-165.657.60000112.8
346D31Very low31.4Very low131 Ų131152.3 Ų152.370%0.70180%0.798SS**  cis-165.7179.824.3-136.2-58.5000114.7
347T31.8Very low31.7Very low113 Ų113147.5 Ų147.569%0.69379%0.792SS**  trans-13.3145.9154.8-51.80000116.8
348D32.4Very low32.2Very low135 Ų135152.5 Ų152.572%0.72279%0.794SS**  cis-161.1169.943.3-161-138.6000116.4
349S32.9Very low32.6Very low95 Ų95153.5 Ų153.566%0.66479%0.794SS**  trans33.9129.8152.8-69.90000123.6
350D31.7Very low32.9Very low161 Ų161155.5 Ų155.586%0.86180%0.803SS**  -157.4165.195-150.5-15.8000111.6
351R33Very low33.1Very low199 Ų199154.6 Ų154.675%0.75179%0.793SS**  trans-128.5115.1-164177.3-174.2179173.41.4113E353R351-E353 IonicContact NH2-OE1 3.74Å
352R32.8Very low33.3Very low245 Ų245149.5 Ų149.593%0.92579%0.79SS**  trans-141138.2160.9-66.8-168-177.8-168.30.9112.2
353E37.9Very low33.8Very low164 Ų164148.7 Ų148.777%0.76679%0.785SS**  trans-98.3129.4169.7-67.3157.5-167.800107.7R351R351-E353 IonicContact NH2-OE1 3.74Å
354D29.7Very low34.1Very low165 Ų165145.2 Ų145.288%0.88278%0.784SS**  trans-153150.9160.3-163.2-151.5000108.9
355E36.7Very low34Very low194 Ų194144.8 Ų144.891%0.90778%0.779SS**  trans-95.2142.8-168.4-63.8-156.1145.400113.9
356G30.2Very low34.7Very low66 Ų66148.8 Ų148.868%0.6879%0.788SS**  trans153101.5151.200000120
357S35.2Very low35.3Very low113 Ų113150.8 Ų150.879%0.7980%0.795SS**  trans83.6139.2133.583.40000122.3
358Q34.3Very low36.2Very low183 Ų183151.5 Ų151.586%0.85579%0.793SS**  trans63.483.9151.3-65.3-178.214.400119.8S360Q358-S360 PolarHBondContact O-N 3.11Å
359H33.9Very low37.5Very low182 Ų182148.1 Ų148.184%0.84378%0.777SS**  trans-62.2117.9149.2-135.7-94.6000109.7N361H359-N361 PolarHBondContact ND1-OD1 3.44Å
360S35.2Very low38.6Very low110 Ų110151.8 Ų151.877%0.76978%0.777SS**  trans-116.6105.7166.9-179.40000107.9Q358 G362Q358-S360 PolarHBondContact O-N 3.11Å; S360-G362 PolarHBondContact O-N 3.12Å; S360-G362 VanDerWaalsContact O-N 3.09Å
361N34Very low40.1Very low129 Ų129151.2 Ų151.269%0.6977%0.769SS**  trans-65.2114.2178.5-70.219.5000109.1H359 N363H359-N361 PolarHBondContact ND1-OD1 3.44Å; N361-N363 PolarHBondContact O-N 3.46Å
362G36.7Very low41.2Very low77 Ų77146.1 Ų146.179%0.79475%0.753SS**  trans-61.5126.3162.100000108.5S360S360-G362 PolarHBondContact O-N 3.12Å; S360-G362 VanDerWaalsContact O-N 3.09Å
363N37.3Very low42.3Very low144 Ų144139.8 Ų139.877%0.7774%0.737SS**  trans-111.7116.1168.3-148.6111.2000105.1N361N361-N363 PolarHBondContact O-N 3.46Å
364D41.9Very low43.6Very low153 Ų153135.8 Ų135.882%0.81872%0.719SS**  trans-57.8144.6-179.4-94.9-67.1000111.3
365F33Very low45.2Very low184 Ų184133.4 Ų133.481%0.80770%0.702SS**  trans-120.892173.2-104.7-86.4000106.8M367F365-M367 PolarHBondContact O-N 3.33Å; F365-M367 VanDerWaalsContact O-N 3.13Å
366E47Very low46.2Very low182 Ų182130.1 Ų130.185%0.8569%0.687SS**  trans-61.4114.4164-69.8177.1143.300107.5I368E366-I368 VanDerWaalsContact C-N 3.32Å; E366-I368 PolarHBondContact O-N 2.91Å
367M43.8Very low47.7Very low172 Ų172129.7 Ų129.785%0.84767%0.671SS**  trans-8184.5177.7-70.1-170.5-64.500108.6F365 T369F365-M367 PolarHBondContact O-N 3.33Å; F365-M367 VanDerWaalsContact O-N 3.13Å; M367-T369 PolarHBondContact O-N 2.92Å; M367-T369 VanDerWaalsContact O-N 3.13Å
368I51.2Low49.1Very low129 Ų129130.4 Ų130.466%0.66266%0.661SS**  trans-46.5121.9167.8-59.2173.6000107.7E366 E372E366-I368 VanDerWaalsContact C-N 3.32Å; E366-I368 PolarHBondContact O-N 2.91Å; I368-E372 HydrophobicContact CG2-CB 3.9Å
369T59.2Low50.2Low64 Ų64126.9 Ų126.939%0.39365%0.645SS.*  trans-71.6162.9-175.665.80000110.6M367 E371 E372 L373M367-T369 PolarHBondContact O-N 2.92Å; M367-T369 VanDerWaalsContact O-N 3.13Å; T369-E371 PolarHBondContact O-N 3.36Å; T369-E372 WeakPolarHBondContact CA-OE2 3.31Å; T369-E372 VanDerWaalsContact CB-OE2 3.26Å; T369-E372 WeakPolarHBondContact CB-OE2 3.5Å; T369-E372 WeakPolarHBondContact CG2-OE2 3.35Å; T369-E372 PolarHBondContact N-OE2 3.49Å; T369-E372 WeakPolarHBondContact OG1-CG 3.27Å; T369-E372 PolarHBondContact OG1-N 3.02Å; T369-E372 PolarHBondContact OG1-OE2 2.97Å; T369-L373 PolarHBondContact O-N 3.29Å; T369-L373 VanDerWaalsContact O-N 3.14Å
370R56.8Low51.2Low172 Ų172121.5 Ų121.565%0.64962%0.62SS**Hα-helixtrans-67.2-28.6176.7-178.1168.7172-132.2-22.8112.1L373 E374R370-L373 PolarHBondContact O-N 3.01Å; R370-E374 HydrophobicContact CG-CG 4.33Å; R370-E374 IonicContact CZ-OE1 3.85Å; R370-E374 IonicContact CZ-OE2 3.44Å; R370-E374 IonicContact NE-OE1 3.33Å; R370-E374 PolarHBondContact NE-OE1 3.04Å; R370-E374 IonicContact NE-OE2 3.54Å; R370-E374 PolarHBondContact NE-OE2 2.98Å; R370-E374 IonicContact NH2-OE1 2.6Å; R370-E374 PolarHBondContact NH2-OE1 3.36Å; R370-E374 IonicContact NH2-OE2 2.67Å; R370-E374 PolarHBondContact NH2-OE2 3.13Å; R370-E374 WeakPolarHBondContact O-CB 3.38Å; R370-E374 WeakPolarHBondContact O-CG 3.36Å; R370-E374 PolarHBondContact O-N 3.25Å
371E61.2Low52.3Low148 Ų148121.4 Ų121.469%0.69261%0.611SS**Hα-helixtrans-71.5-45.8179.2-73.7140.7-146.500110.7T369 L373 E374 Q375T369-E371 PolarHBondContact O-N 3.36Å; E371-L373 VanDerWaalsContact C-N 3.3Å; E371-L373 PolarHBondContact O-N 3.47Å; E371-E374 PolarHBondContact O-N 2.88Å; E371-Q375 WeakPolarHBondContact O-CG 3.46Å; E371-Q375 PolarHBondContact O-N 2.92Å
372E57.6Low53.5Low93 Ų93120.4 Ų120.444%0.43561%0.606SS.*Hα-helixtrans-58.9-39.7170.7-70161.7115.900112.3I368 T369 H376I368-E372 HydrophobicContact CG2-CB 3.9Å; T369-E372 WeakPolarHBondContact CA-OE2 3.31Å; T369-E372 VanDerWaalsContact CB-OE2 3.26Å; T369-E372 WeakPolarHBondContact CB-OE2 3.5Å; T369-E372 WeakPolarHBondContact CG2-OE2 3.35Å; T369-E372 PolarHBondContact N-OE2 3.49Å; T369-E372 WeakPolarHBondContact OG1-CG 3.27Å; T369-E372 PolarHBondContact OG1-N 3.02Å; T369-E372 PolarHBondContact OG1-OE2 2.97Å; E372-H376 WeakPolarHBondContact O-CB 3.49Å; E372-H376 PolarHBondContact O-N 2.87Å
373L55.7Low54.8Low111 Ų111123.6 Ų123.658%0.58160%0.6SS**Hα-helixtrans-71.4-28.6178.2-175.964.1000113.2T369 R370 E371 T377T369-L373 PolarHBondContact O-N 3.29Å; T369-L373 VanDerWaalsContact O-N 3.14Å; R370-L373 PolarHBondContact O-N 3.01Å; E371-L373 VanDerWaalsContact C-N 3.3Å; E371-L373 PolarHBondContact O-N 3.47Å; L373-T377 PolarHBondContact O-OG1 3.49Å
374E65.4Low56.1Low81 Ų81122.6 Ų122.638%0.37959%0.591SS.*Hα-helixtrans-80.3-39.5176.9-74.4175.9169.600110R370 E371 T377 E378R370-E374 HydrophobicContact CG-CG 4.33Å; R370-E374 IonicContact CZ-OE1 3.85Å; R370-E374 IonicContact CZ-OE2 3.44Å; R370-E374 IonicContact NE-OE1 3.33Å; R370-E374 PolarHBondContact NE-OE1 3.04Å; R370-E374 IonicContact NE-OE2 3.54Å; R370-E374 PolarHBondContact NE-OE2 2.98Å; R370-E374 IonicContact NH2-OE1 2.6Å; R370-E374 PolarHBondContact NH2-OE1 3.36Å; R370-E374 IonicContact NH2-OE2 2.67Å; R370-E374 PolarHBondContact NH2-OE2 3.13Å; R370-E374 WeakPolarHBondContact O-CB 3.38Å; R370-E374 WeakPolarHBondContact O-CG 3.36Å; R370-E374 PolarHBondContact O-N 3.25Å; E371-E374 PolarHBondContact O-N 2.88Å; E374-T377 PolarHBondContact O-N 3.27Å; E374-T377 VanDerWaalsContact O-N 3.15Å; E374-T377 PolarHBondContact O-OG1 2.96Å; E374-E378 WeakPolarHBondContact O-CG 3.31Å; E374-E378 PolarHBondContact O-N 3.01Å
375Q62.9Low57.2Low115 Ų115122.3 Ų122.354%0.53758%0.584SS.*Hα-helixtrans-57.2-49.2168.8-73.6-174.5-59.500112.5E371 T377 E378 E379E371-Q375 WeakPolarHBondContact O-CG 3.46Å; E371-Q375 PolarHBondContact O-N 2.92Å; Q375-T377 PolarHBondContact O-N 3.38Å; Q375-E378 PolarHBondContact O-N 2.82Å; Q375-E379 PolarHBondContact O-N 3.07Å
376H57.3Low58.8Low125 Ų125120.8 Ų120.858%0.57958%0.58SS**Hα-helixtrans-66.1-9.6-179.8-125.2-32.7000114.1E372 E379E372-H376 WeakPolarHBondContact O-CB 3.49Å; E372-H376 PolarHBondContact O-N 2.87Å; H376-E379 IonicContact ND1-OE2 2.87Å
377T62.5Low59.7Low56 Ų56119.4 Ų119.434%0.34457%0.574SS.*Hα-helixtrans-100.5-23.5169.450.90000113.6L373 E374 Q375 D381L373-T377 PolarHBondContact O-OG1 3.49Å; E374-T377 PolarHBondContact O-N 3.27Å; E374-T377 VanDerWaalsContact O-N 3.15Å; E374-T377 PolarHBondContact O-OG1 2.96Å; Q375-T377 PolarHBondContact O-N 3.38Å; T377-D381 WeakPolarHBondContact O-CB 3.26Å; T377-D381 PolarHBondContact O-N 3.46Å
378E63.6Low60.8Low128 Ų128118 Ų11860%0.59857%0.565SS**Hα-helixtrans-72.7-40.9169.7-70.7173.1167.300109.3E374 Q375 E380 D381 D382E374-E378 WeakPolarHBondContact O-CG 3.31Å; E374-E378 PolarHBondContact O-N 3.01Å; Q375-E378 PolarHBondContact O-N 2.82Å; E378-E380 PolarHBondContact O-N 3.21Å; E378-D381 PolarHBondContact O-N 3.01Å; E378-D382 WeakPolarHBondContact O-CB 3.3Å; E378-D382 PolarHBondContact O-N 3.03Å
379E58.8Low61.6Low110 Ų110117.5 Ų117.551%0.51456%0.563SS.*Hα-helixtrans-62.6-37171.1-67.8173.8174.500113.3Q375 H376 E383Q375-E379 PolarHBondContact O-N 3.07Å; H376-E379 IonicContact ND1-OE2 2.87Å; E379-E383 WeakPolarHBondContact O-CB 3.37Å; E379-E383 WeakPolarHBondContact O-CG 3.46Å; E379-E383 PolarHBondContact O-N 3.42Å; E379-E383 VanDerWaalsContact O-N 3.08Å
380E55.1Low62Low68 Ų68121.6 Ų121.632%0.31858%0.578SS.*Hα-helixtrans-73.1-39174.2-84.6-173.9162.800113R43 E378 E384R43-E380 IonicContact CZ-OE1 3.51Å; R43-E380 IonicContact CZ-OE2 3.56Å; R43-E380 IonicContact NH1-OE1 3.57Å; R43-E380 PolarHBondContact NH1-OE1 2.95Å; R43-E380 IonicContact NH1-OE2 3.55Å; R43-E380 PolarHBondContact NH1-OE2 3.39Å; R43-E380 IonicContact NH2-OE1 3.64Å; R43-E380 PolarHBondContact NH2-OE1 2.95Å; R43-E380 IonicContact NH2-OE2 2.68Å; R43-E380 PolarHBondContact NH2-OE2 3.22Å; E378-E380 PolarHBondContact O-N 3.21Å; E380-E384 PolarHBondContact O-N 3.19Å; E380-E384 VanDerWaalsContact O-N 3.1Å
381D58.1Low62.5Low109 Ų109120.5 Ų120.558%0.58358%0.58SS**Hα-helixtrans-70.7-34.2177.9-80.7-2.4000110.3T377 E378 E385T377-D381 WeakPolarHBondContact O-CB 3.26Å; T377-D381 PolarHBondContact O-N 3.46Å; E378-D381 PolarHBondContact O-N 3.01Å; D381-E385 PolarHBondContact O-N 3.1Å
382D59.3Low62.8Low108 Ų108120.3 Ų120.358%0.57858%0.58SS**Hα-helixtrans-71.1-40.9174.5-75.5-20.5000112.2E378 E385 E386E378-D382 WeakPolarHBondContact O-CB 3.3Å; E378-D382 PolarHBondContact O-N 3.03Å; D382-E385 PolarHBondContact O-N 3.31Å; D382-E386 PolarHBondContact O-N 3.38Å
383E62.6Low63.2Low144 Ų144117.8 Ų117.867%0.67358%0.578SS**Hα-helixtrans-64-36.8172.6-79.2-173.2175.100112E379 E387E379-E383 WeakPolarHBondContact O-CB 3.37Å; E379-E383 WeakPolarHBondContact O-CG 3.46Å; E379-E383 PolarHBondContact O-N 3.42Å; E379-E383 VanDerWaalsContact O-N 3.08Å; E383-E387 PolarHBondContact O-N 3.37Å; E383-E387 VanDerWaalsContact O-N 3.17Å
384E64.3Low63.8Low123 Ų123120 Ų12058%0.57559%0.585SS**Hα-helixtrans-68.9-34.5173.1-77.6-169.9-166.400112.2E380 E388E380-E384 PolarHBondContact O-N 3.19Å; E380-E384 VanDerWaalsContact O-N 3.1Å; E384-E388 PolarHBondContact O-N 3.47Å
385E65.9Low63.8Low146 Ų146123.4 Ų123.468%0.68260%0.601SS**Hα-helixtrans-75.7-24.9174.5-76.5-164-167.500113.6D381 D382 N389D381-E385 PolarHBondContact O-N 3.1Å; D382-E385 PolarHBondContact O-N 3.31Å; E385-N389 VanDerWaalsContact O-CB 3.27Å; E385-N389 WeakPolarHBondContact O-CB 3.24Å; E385-N389 PolarHBondContact O-N 3.45Å
386E66.9Low63.9Low152 Ų152125.1 Ų125.171%0.7161%0.61SS**Hα-helixtrans-74-44169.5-73.5-163161.600112.4D382 N389 E390D382-E386 PolarHBondContact O-N 3.38Å; E386-N389 PolarHBondContact O-N 2.87Å; E386-E390 PolarHBondContact O-N 2.82Å
387E66.3Low64.4Low154 Ų154124.7 Ų124.772%0.7261%0.611SS**Hα-helixtrans-65-40.4177.2-75.8-164.1165.600112.6E383 N389 E390 E391E383-E387 PolarHBondContact O-N 3.37Å; E383-E387 VanDerWaalsContact O-N 3.17Å; E387-N389 VanDerWaalsContact C-N 3.25Å; E387-N389 PolarHBondContact O-N 2.72Å; E387-E390 PolarHBondContact O-N 2.78Å; E387-E391 PolarHBondContact O-N 3.36Å; E387-E391 VanDerWaalsContact O-N 3.12Å
388E65.1Low64.6Low143 Ų143129.2 Ų129.267%0.66863%0.629SS**Hα-helixtrans-63.8-29.6175.5-77-165.1166.800112.3E384 E392E384-E388 PolarHBondContact O-N 3.47Å; E388-E392 PolarHBondContact O-N 2.9Å; E388-E392 VanDerWaalsContact O-N 3.08Å
389N68.3Low64.6Low117 Ų117128 Ų12863%0.62662%0.623SS**Hα-helixtrans-86.1-25.4-177.1-161.627.2000112.8E385 E386 E387 G393E385-N389 VanDerWaalsContact O-CB 3.27Å; E385-N389 WeakPolarHBondContact O-CB 3.24Å; E385-N389 PolarHBondContact O-N 3.45Å; E386-N389 PolarHBondContact O-N 2.87Å; E387-N389 VanDerWaalsContact C-N 3.25Å; E387-N389 PolarHBondContact O-N 2.72Å; N389-G393 PolarHBondContact O-N 3.01Å
390E67.9Low65Low151 Ų151125.5 Ų125.571%0.70662%0.615SS**Hα-helixtrans-71.2-40.4164.5-70.5-160.415300111.4E386 E387 G393 E394E386-E390 PolarHBondContact O-N 2.82Å; E387-E390 PolarHBondContact O-N 2.78Å; E390-G393 PolarHBondContact O-N 2.87Å; E390-E394 PolarHBondContact O-N 2.96Å
391E66.8Low65.4Low148 Ų148128.1 Ų128.169%0.69263%0.628SS**Hα-helixtrans-64.7-44.5175.8-74.2-163.1160.600112.8E387 G393 E394 E395E387-E391 PolarHBondContact O-N 3.36Å; E387-E391 VanDerWaalsContact O-N 3.12Å; E391-G393 PolarHBondContact O-N 3.34Å; E391-E394 PolarHBondContact O-N 2.97Å; E391-E395 PolarHBondContact O-N 2.87Å; E391-E395 VanDerWaalsContact O-N 3.15Å
392E67.4Low65.7Low145 Ų145130.1 Ų130.168%0.67863%0.633SS**Hα-helixtrans-62.7-30.5173.5-75.6-161.6165.900112.1E388 E396E388-E392 PolarHBondContact O-N 2.9Å; E388-E392 VanDerWaalsContact O-N 3.08Å; E392-E396 PolarHBondContact O-N 3.47Å; E392-E396 VanDerWaalsContact O-N 3.13Å
393G67.5Low65.8Low39 Ų39132.7 Ų132.740%0.40264%0.635SS.*Hα-helixtrans-68.2-43.6175.600000113.9N389 E390 E391 D397N389-G393 PolarHBondContact O-N 3.01Å; E390-G393 PolarHBondContact O-N 2.87Å; E391-G393 PolarHBondContact O-N 3.34Å; G393-D397 PolarHBondContact O-N 3.3Å
394E66.7Low65.8Low157 Ų157131.5 Ų131.573%0.73463%0.628SS**Hα-helixtrans-67.3-36175.4-68.3-160.3155.800111.8E390 E391 D397 E398E390-E394 PolarHBondContact O-N 2.96Å; E391-E394 PolarHBondContact O-N 2.97Å; E394-D397 PolarHBondContact O-N 3.39Å; E394-E398 PolarHBondContact O-N 3.17Å
395E66Low65.4Low153 Ų153131.7 Ų131.772%0.71563%0.629SS**Hα-helixtrans-66.4-40.2174.7-73.1-158.5171.200113.1E391 E399E391-E395 PolarHBondContact O-N 2.87Å; E391-E395 VanDerWaalsContact O-N 3.15Å; E395-E399 PolarHBondContact O-N 2.85Å
396E66.1Low64.8Low152 Ų152126.9 Ų126.971%0.7162%0.618SS**Hα-helixtrans-66.7-34.7176.2-79-148153.900112.9E392 T400E392-E396 PolarHBondContact O-N 3.47Å; E392-E396 VanDerWaalsContact O-N 3.13Å; E396-T400 WeakPolarHBondContact O-CB 3.16Å; E396-T400 PolarHBondContact O-N 3.47Å; E396-T400 PolarHBondContact O-OG1 2.97Å
397D68.2Low64.2Low115 Ų115122.6 Ų122.662%0.61561%0.605SS**Hα-helixtrans-74.4-37.7177.2-112.4-16.8000111.9G393 E394 T400 Q401G393-D397 PolarHBondContact O-N 3.3Å; E394-D397 PolarHBondContact O-N 3.39Å; D397-T400 PolarHBondContact O-N 2.88Å; D397-Q401 WeakPolarHBondContact O-CB 3.25Å; D397-Q401 PolarHBondContact O-N 3.49Å
398E66.7Low63.6Low152 Ų152121.3 Ų121.371%0.7160%0.599SS**Hα-helixtrans-62.1-47.3170.6-79.4-147.9143.700111.8E394 T400 Q401 E402E394-E398 PolarHBondContact O-N 3.17Å; E398-T400 PolarHBondContact O-N 3.3Å; E398-Q401 PolarHBondContact O-N 2.82Å; E398-E402 PolarHBondContact O-N 2.68Å
399E63Low63Low101 Ų101117.7 Ų117.747%0.47259%0.589SS.*Hα-helixtrans-64.2-33.6178.1-139.8-135.3134.700111.4E395 Q401 R403E395-E399 PolarHBondContact O-N 2.85Å; E399-Q401 VanDerWaalsContact C-N 3.34Å; E399-R403 WeakPolarHBondContact O-CB 3.06Å; E399-R403 WeakPolarHBondContact O-CG 3.41Å; E399-R403 PolarHBondContact O-N 2.93Å; E399-R403 VanDerWaalsContact O-N 3.08Å; E399-R403 IonicContact OE1-CZ 2.77Å; E399-R403 IonicContact OE1-NE 2.71Å; E399-R403 PolarHBondContact OE1-NE 3.08Å; E399-R403 IonicContact OE1-NH2 3.19Å; E399-R403 PolarHBondContact OE1-NH2 3.35Å; E399-R403 IonicContact OE2-CZ 2.68Å; E399-R403 IonicContact OE2-NE 2.68Å; E399-R403 IonicContact OE2-NH2 2.71Å; E399-R403 PolarHBondContact OE2-NH2 3.41Å
400T67.1Low62.1Low58 Ų58119.7 Ų119.736%0.35659%0.592SS.*Hα-helixtrans-69.8-29.7174.7-65.30000112.5E396 D397 E398 K404E396-T400 WeakPolarHBondContact O-CB 3.16Å; E396-T400 PolarHBondContact O-N 3.47Å; E396-T400 PolarHBondContact O-OG1 2.97Å; D397-T400 PolarHBondContact O-N 2.88Å; E398-T400 PolarHBondContact O-N 3.3Å; T400-K404 WeakPolarHBondContact O-CG 3.31Å; T400-K404 PolarHBondContact O-N 3.47Å
401Q63.5Low61.4Low123 Ų123117.5 Ų117.558%0.57559%0.589SS**Hα-helixtrans-77.9-46.2175.5-170.8163.6-25.400111.9D397 E398 E399 R403 K404 E405D397-Q401 WeakPolarHBondContact O-CB 3.25Å; D397-Q401 PolarHBondContact O-N 3.49Å; E398-Q401 PolarHBondContact O-N 2.82Å; E399-Q401 VanDerWaalsContact C-N 3.34Å; Q401-R403 VanDerWaalsContact C-N 3.29Å; Q401-R403 PolarHBondContact O-N 3.31Å; Q401-K404 WeakPolarHBondContact O-CB 3.33Å; Q401-K404 PolarHBondContact O-N 3.06Å; Q401-E405 PolarHBondContact O-N 2.89Å
402E63.8Low60.6Low151 Ų151118.1 Ų118.171%0.70659%0.592SS**Hα-helixtrans-57-42.5173.1-77.8-147.2132.300111.8E398 K404 E405 G406E398-E402 PolarHBondContact O-N 2.68Å; E402-K404 VanDerWaalsContact C-N 3.25Å; E402-K404 PolarHBondContact O-N 2.87Å; E402-E405 PolarHBondContact O-N 2.92Å; E402-G406 PolarHBondContact O-N 3.41Å
403R62.3Low59.8Low163 Ų163116.6 Ų116.662%0.61559%0.593SS**Hα-helixtrans-62.3-28.5177.1-76.9175.2-179.7-168.613.5113.5E399 Q401 S407E399-R403 WeakPolarHBondContact O-CB 3.06Å; E399-R403 WeakPolarHBondContact O-CG 3.41Å; E399-R403 PolarHBondContact O-N 2.93Å; E399-R403 VanDerWaalsContact O-N 3.08Å; E399-R403 IonicContact OE1-CZ 2.77Å; E399-R403 IonicContact OE1-NE 2.71Å; E399-R403 PolarHBondContact OE1-NE 3.08Å; E399-R403 IonicContact OE1-NH2 3.19Å; E399-R403 PolarHBondContact OE1-NH2 3.35Å; E399-R403 IonicContact OE2-CZ 2.68Å; E399-R403 IonicContact OE2-NE 2.68Å; E399-R403 IonicContact OE2-NH2 2.71Å; E399-R403 PolarHBondContact OE2-NH2 3.41Å; Q401-R403 VanDerWaalsContact C-N 3.29Å; Q401-R403 PolarHBondContact O-N 3.31Å; R403-S407 PolarHBondContact O-N 2.84Å
404K61.2Low59Low118 Ų118118.7 Ų118.751%0.51361%0.606SS.*Hα-helixtrans-73.4-51.8174.1-73.6164.6-172.2156.70110.9T400 Q401 E402 G406 S407 E408T400-K404 WeakPolarHBondContact O-CG 3.31Å; T400-K404 PolarHBondContact O-N 3.47Å; Q401-K404 WeakPolarHBondContact O-CB 3.33Å; Q401-K404 PolarHBondContact O-N 3.06Å; E402-K404 VanDerWaalsContact C-N 3.25Å; E402-K404 PolarHBondContact O-N 2.87Å; K404-G406 VanDerWaalsContact C-N 3.31Å; K404-G406 PolarHBondContact O-N 2.85Å; K404-S407 WeakPolarHBondContact O-CA 3.15Å; K404-S407 WeakPolarHBondContact O-CB 3.29Å; K404-S407 PolarHBondContact O-N 3.41Å; K404-S407 PolarHBondContact O-OG 2.91Å; K404-E408 PolarHBondContact O-N 2.65Å; K404-E408 VanDerWaalsContact O-N 3.1Å
405E56.7Low58.3Low128 Ų128119.8 Ų119.860%0.59861%0.611SS**Hα-helixtrans-62.4-38.3179.6-63.1-163.5171.900112.3Q401 E402 S407 E408 S409Q401-E405 PolarHBondContact O-N 2.89Å; E402-E405 PolarHBondContact O-N 2.92Å; E405-S407 PolarHBondContact O-N 3.03Å; E405-E408 PolarHBondContact O-N 2.86Å; E405-S409 WeakPolarHBondContact O-CB 3.37Å; E405-S409 PolarHBondContact O-N 2.63Å; E405-S409 VanDerWaalsContact O-N 3.13Å; E405-S409 PolarHBondContact O-OG 3.3Å
406G53.6Low57.1Low44 Ų44122.2 Ų122.245%0.45464%0.637SS.*Hα-helixtrans-65.6-15.4171.700000114.8E402 K404E402-G406 PolarHBondContact O-N 3.41Å; K404-G406 VanDerWaalsContact C-N 3.31Å; K404-G406 PolarHBondContact O-N 2.85Å
407S54.3Low56.7Low63 Ų63120.7 Ų120.744%0.44163%0.633SS.*Hα-helixtrans-90.6-44.3174.380.10000112.5R403 K404 E405 K410 V411R403-S407 PolarHBondContact O-N 2.84Å; K404-S407 WeakPolarHBondContact O-CA 3.15Å; K404-S407 WeakPolarHBondContact O-CB 3.29Å; K404-S407 PolarHBondContact O-N 3.41Å; K404-S407 PolarHBondContact O-OG 2.91Å; E405-S407 PolarHBondContact O-N 3.03Å; S407-K410 PolarHBondContact O-N 2.82Å; S407-V411 PolarHBondContact O-N 3.28Å
408E53.3Low56.1Low126 Ų126121 Ų12159%0.58963%0.634SS**Hα-helixtrans-69.3-42.5-178.5-67.4-170.780.900112.2K404 E405 K410 V411 Q412K404-E408 PolarHBondContact O-N 2.65Å; K404-E408 VanDerWaalsContact O-N 3.1Å; E405-E408 PolarHBondContact O-N 2.86Å; E408-K410 PolarHBondContact O-N 3.4Å; E408-V411 PolarHBondContact O-N 3.14Å; E408-V411 VanDerWaalsContact O-N 3.14Å; E408-Q412 PolarHBondContact O-N 3.29Å
409S52.4Low55.5Low67 Ų67119.3 Ų119.347%0.46963%0.63SS.*Hα-helixtrans-56.8-32.7175.153.40000113.1E405E405-S409 WeakPolarHBondContact O-CB 3.37Å; E405-S409 PolarHBondContact O-N 2.63Å; E405-S409 VanDerWaalsContact O-N 3.13Å; E405-S409 PolarHBondContact O-OG 3.3Å
410K50.4Low55.1Low159 Ų159120.4 Ų120.469%0.69164%0.639SS**Hα-helixtrans-79-23.9-179-162.6170.4-173.7172.80113.7S407 E408 T413S407-K410 PolarHBondContact O-N 2.82Å; E408-K410 PolarHBondContact O-N 3.4Å; K410-T413 PolarHBondContact O-OG1 3.38Å; K410-T413 VanDerWaalsContact O-OG1 3.07Å
411V52.1Low54.3Low106 Ų106124.3 Ų124.364%0.64266%0.657SS**Hα-helixtrans-74.9-41.8174.9175.60000110.6S407 E408 T413 A414S407-V411 PolarHBondContact O-N 3.28Å; E408-V411 PolarHBondContact O-N 3.14Å; E408-V411 VanDerWaalsContact O-N 3.14Å; V411-T413 PolarHBondContact O-N 3.38Å; V411-A414 WeakPolarHBondContact O-CB 3.39Å; V411-A414 PolarHBondContact O-N 3.29Å; V411-A414 VanDerWaalsContact O-N 3.17Å
412Q49.6Very low53.7Low160 Ų160124.3 Ų124.375%0.74866%0.662SS**Hα-helixtrans-65.5-23.4-178.7-65.9-173.34.600113.7E408 A414E408-Q412 PolarHBondContact O-N 3.29Å; Q412-A414 VanDerWaalsContact C-N 3.28Å; Q412-A414 PolarHBondContact O-N 3.38Å
413T51.8Low53Low113 Ų113122.4 Ų122.469%0.69366%0.659SS**THydrogen-bonded Turntrans-81.63.9176.551.90000115.1K410 V411K410-T413 PolarHBondContact O-OG1 3.38Å; K410-T413 VanDerWaalsContact O-OG1 3.07Å; V411-T413 PolarHBondContact O-N 3.38Å
414A51Low52.2Low83 Ų83119.3 Ų119.369%0.68666%0.663SS**THydrogen-bonded Turntrans-103.3-9.8-176.100000115V411 Q412V411-A414 WeakPolarHBondContact O-CB 3.39Å; V411-A414 PolarHBondContact O-N 3.29Å; V411-A414 VanDerWaalsContact O-N 3.17Å; Q412-A414 VanDerWaalsContact C-N 3.28Å; Q412-A414 PolarHBondContact O-N 3.38Å
415E51Low51.5Low180 Ų180119.4 Ų119.484%0.84168%0.675SS**  trans-114.789.9173.8-72.8-167.789.100110.9
416T41.8Very low51Low204 Ų204118.6 Ų118.6100%1.25268%0.682SS**  trans-160.20161-13.20000112.2

Retrieved 416 of 416 residues in 329 ms (Link to these results)

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