A0A061I729_CRIGR Loading...

Tumor necrosis factor receptor type 1-associated DEATH domain protein

Adapter molecule for TNFRSF1A/TNFR1 that specifically associates with the cytoplasmic domain of activated TNFRSF1A/TNFR1 mediating its interaction with FADD. Overexpression of TRADD leads to two major TNF-induced responses, apoptosis and activation of NF-kappa-B. The nuclear form acts as a tumor suppressor by preventing ubiquitination and degradation of isoform p19ARF/ARF of CDKN2A by TRIP12: acts by interacting with TRIP12, leading to disrupt interaction between TRIP12 and isoform p19ARF/ARF of CDKN2A.

AlphaFold DB , UniProt , Accession A0A061I729, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Tradd, Length 310 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.7Very low44.8Very low243 Ų243133.8 Ų133.8100%1.19776%0.756SS**  0108.20-67.2-169.5-170.400107.2
2A33.3Very low48.3Very low104 Ų104124.8 Ų124.886%0.8671%0.706SS**  trans-84.6113.5178.600000108.5G4A2-G4 PolarHBondContact O-N 2.88Å
3T37Very low51.5Low145 Ų145115.2 Ų115.289%0.8965%0.652SS**  trans-78.895165.943.50000107.5
4G32.6Very low54.3Low65 Ų65107.3 Ų107.367%0.6761%0.607SS**  trans-64.6141.517500000111.4A2 N6A2-G4 PolarHBondContact O-N 2.88Å; G4-N6 PolarHBondContact O-N 3.42Å; G4-N6 VanDerWaalsContact O-N 3.13Å
5Q35.4Very low56.8Low192 Ų192100.1 Ų100.190%0.89757%0.567SS**  trans-54.6108170.1-68.8157.3-3300109.8G7Q5-G7 PolarHBondContact O-N 3.06Å
6N33.2Very low59Low138 Ų13898.1 Ų98.174%0.73855%0.548SS*.  trans-88.764.1162.2-110.720.5000108.7G4 H8G4-N6 PolarHBondContact O-N 3.42Å; G4-N6 VanDerWaalsContact O-N 3.13Å; N6-H8 VanDerWaalsContact C-N 3.3Å; N6-H8 PolarHBondContact ND2-NE2 2.91Å; N6-H8 PolarHBondContact O-N 3.34Å
7G35.7Very low61.1Low65 Ų6592.4 Ų92.467%0.6752%0.516SS*.  trans-76.791.8153.400000106Q5 E9Q5-G7 PolarHBondContact O-N 3.06Å; G7-E9 VanDerWaalsContact C-N 3.27Å; G7-E9 PolarHBondContact O-N 2.93Å
8H40.8Very low62.9Low154 Ų15488.7 Ų88.771%0.71349%0.494SS*.  trans-64.598.1167.2-78.9-84000106.4N6 E10N6-H8 VanDerWaalsContact C-N 3.3Å; N6-H8 PolarHBondContact ND2-NE2 2.91Å; N6-H8 PolarHBondContact O-N 3.34Å; H8-E10 PolarHBondContact O-N 3.25Å
9E51.4Low64.4Low185 Ų18584.2 Ų84.286%0.86447%0.468SS*.  trans-53.5110.5162.4-73.1-176.7155.300106.5G7 W11G7-E9 VanDerWaalsContact C-N 3.27Å; G7-E9 PolarHBondContact O-N 2.93Å; E9-W11 PolarHBondContact O-N 2.95Å
10E75.4Confident65.8Low147 Ų14782.3 Ų82.369%0.68746%0.456SS*.  trans-64.2107.9178.2-163.1175.2-169.200106.5H8 V12H8-E10 PolarHBondContact O-N 3.25Å; E10-V12 HydrophobicContact CB-CG2 4.34Å; E10-V12 HydrophobicContact CG-CG2 3.98Å; E10-V12 PolarHBondContact O-N 3.03Å
11W84.1Confident66.9Low34 Ų3478.9 Ų78.913%0.12944%0.438CS..  trans-64.3109.8178.8-173.596.2000107.2E9 F77 G79 R80 C83 L136 I139 L140E9-W11 PolarHBondContact O-N 2.95Å; W11-F77 HydrophobicContact CH2-CB 4.31Å; W11-F77 HydrophobicContact CZ3-CB 3.64Å; W11-G79 PolarHBondContact O-N 3.34Å; W11-R80 HydrophobicContact CB-CB 4.48Å; W11-R80 HydrophobicContact CD2-CB 3.84Å; W11-R80 HydrophobicContact CE3-CB 4.4Å; W11-R80 VanDerWaalsContact CE3-N 3.34Å; W11-R80 HydrophobicContact CG-CB 3.85Å; W11-C83 HydrophobicContact CH2-CB 3.4Å; W11-C83 VanDerWaalsContact CH2-SG 3.59Å; W11-C83 HydrophobicContact CZ2-CB 4.41Å; W11-C83 HydrophobicContact CZ3-CB 3.54Å; W11-L136 HydrophobicContact CH2-CD2 4.11Å; W11-L136 HydrophobicContact CZ2-CB 4.36Å; W11-L136 HydrophobicContact CZ2-CD2 3.98Å; W11-I139 HydrophobicContact CH2-CB 4.49Å; W11-I139 HydrophobicContact CH2-CG2 3.91Å; W11-L140 HydrophobicContact CD2-CD1 4.32Å; W11-L140 HydrophobicContact CG-CD1 4.11Å; W11-L140 HydrophobicContact CZ2-CB 4.07Å
12V87.5Confident69.5Low26 Ų2671.7 Ų71.716%0.15840%0.404CS..EExtended strand (participates in β ladder)trans-132.5126.6-179.8179.60000108.1E10 R76 F77 P144E10-V12 HydrophobicContact CB-CG2 4.34Å; E10-V12 HydrophobicContact CG-CG2 3.98Å; E10-V12 PolarHBondContact O-N 3.03Å; V12-R76 HydrophobicContact CG1-CG 4.18Å; V12-F77 WeakPolarHBondContact CA-O 3.33Å; V12-P144 HydrophobicContact CG1-CG 3.49Å; V12-P144 VanDerWaalsContact CG1-CG 3.49Å
13G89.1Confident71.8Confident0 Ų070.2 Ų70.20%038%0.38CS..EExtended strand (participates in β ladder)trans-141.4169.1178.600000111.6F77 I139G13-F77 PolarHBondContact N-O 3.16Å; G13-F77 VanDerWaalsContact N-O 3.12Å; G13-F77 PolarHBondContact O-N 2.83Å; G13-I139 WeakPolarHBondContact CA-O 3.25Å
14S90.8Very high73.5Confident4 Ų471.3 Ų71.33%0.02838%0.38CS..EExtended strand (participates in β ladder)trans-135.3149.3-179.361.80000112.5L75 I139 Q142S14-L75 WeakPolarHBondContact CA-O 3.49Å; S14-L75 WeakPolarHBondContact CB-O 3.33Å; S14-I139 PolarHBondContact N-O 3.09Å; S14-I139 VanDerWaalsContact N-O 3.14Å; S14-Q142 PolarHBondContact N-O 3.26Å; S14-Q142 WeakPolarHBondContact O-CB 3.09Å; S14-Q142 WeakPolarHBondContact OG-CB 3.46Å; S14-Q142 PolarHBondContact OG-O 2.95Å
15A92.4Very high75.6Confident0 Ų077.9 Ų77.90%039%0.39CS..EExtended strand (participates in β ladder)trans-145.9162.8175.100000110.2L75 F77 L118 R119 I139A15-L75 PolarHBondContact N-O 2.95Å; A15-L75 VanDerWaalsContact N-O 3.09Å; A15-L75 PolarHBondContact O-N 2.52Å; A15-F77 HydrophobicContact CB-CE2 3.82Å; A15-L118 HydrophobicContact CB-CD1 4.16Å; A15-R119 CarbonylContact C-O 3.46Å; A15-R119 WeakPolarHBondContact CA-O 3.39Å; A15-I139 HydrophobicContact CB-CG1 4.24Å
16Y92.4Very high77.8Confident68 Ų6869.6 Ų69.627%0.26735%0.353SS..EExtended strand (participates in β ladder)trans-112.2123175.1-63.8-86.3000108.8I72 V73 Q74 R119Y16-I72 HydrophobicContact CD1-CG2 4Å; Y16-I72 HydrophobicContact CG-CG2 4.46Å; Y16-V73 WeakPolarHBondContact CA-O 3.3Å; Y16-Q74 HydrophobicContact CD1-CB 3.92Å; Y16-Q74 HydrophobicContact CD1-CG 4.02Å; Y16-Q74 HydrophobicContact CE1-CB 3.73Å; Y16-Q74 HydrophobicContact CE1-CG 3.53Å; Y16-Q74 PolarHBondContact OH-NE2 3.04Å; Y16-R119 PolarHBondContact N-O 3.29Å; Y16-R119 PolarHBondContact O-N 3.42Å
17L93.9Very high80.3Confident1 Ų164.5 Ų64.51%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-100.5116.5172.3179.468.2000108.3L19 I72 V73 L75 Y90 L95 L99 L116 L118L17-L19 HydrophobicContact CD2-CD1 4.1Å; L17-L19 HydrophobicContact CG-CD1 3.94Å; L17-L19 HydrophobicContact CG-CG 4.42Å; L17-L19 WeakPolarHBondContact O-CD1 3.29Å; L17-I72 CarbonylContact O-C 3.58Å; L17-I72 WeakPolarHBondContact O-CA 3.48Å; L17-V73 HydrophobicContact CB-CB 4.4Å; L17-V73 PolarHBondContact N-O 3.45Å; L17-V73 PolarHBondContact O-N 3.07Å; L17-L75 HydrophobicContact CB-CD1 4.05Å; L17-Y90 HydrophobicContact CD1-CD2 4.38Å; L17-Y90 HydrophobicContact CD1-CE2 3.72Å; L17-L95 HydrophobicContact CD2-CD2 4.27Å; L17-L99 HydrophobicContact CD2-CD1 4.35Å; L17-L116 HydrophobicContact CD1-CB 4.31Å; L17-L118 HydrophobicContact CB-CD1 4.37Å; L17-L118 HydrophobicContact CD1-CD1 4.23Å
18F92.7Very high82.5Confident26 Ų2661.7 Ų61.711%0.11430%0.296CS..EExtended strand (participates in β ladder)trans-92.3129.4175.8-63.9-110000108I72 L116 E117 R119F18-I72 HydrophobicContact CD1-CB 4.42Å; F18-I72 HydrophobicContact CD1-CD1 3.84Å; F18-I72 HydrophobicContact CD1-CG1 3.58Å; F18-I72 HydrophobicContact CD1-CG2 4.17Å; F18-I72 HydrophobicContact CD2-CG2 4.31Å; F18-I72 HydrophobicContact CE1-CB 4.44Å; F18-I72 HydrophobicContact CE1-CD1 3.41Å; F18-I72 VanDerWaalsContact CE1-CD1 3.41Å; F18-I72 HydrophobicContact CE1-CG1 3.67Å; F18-I72 HydrophobicContact CE1-CG2 3.95Å; F18-I72 HydrophobicContact CE2-CG2 4.06Å; F18-I72 HydrophobicContact CG-CG1 4.32Å; F18-I72 HydrophobicContact CG-CG2 4.33Å; F18-I72 HydrophobicContact CZ-CD1 4.19Å; F18-I72 HydrophobicContact CZ-CG1 4.45Å; F18-I72 HydrophobicContact CZ-CG2 3.87Å; F18-L116 VanDerWaalsContact O-CA 3.29Å; F18-L116 WeakPolarHBondContact O-CA 3.46Å; F18-E117 HydrophobicContact CB-CB 4.09Å; F18-E117 PolarHBondContact N-O 3.12Å; F18-E117 PolarHBondContact O-N 3.22Å; F18-R119 HydrophobicContact CD2-CG 3.98Å; F18-R119 HydrophobicContact CE2-CB 3.88Å; F18-R119 VanDerWaalsContact CE2-CD 3.48Å; F18-R119 HydrophobicContact CE2-CG 3.62Å; F18-R119 HydrophobicContact CZ-CG 4.47Å
19L92.4Very high84.6Confident2 Ų254.8 Ų54.81%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-119.5125.3176.3-6091.9000108.8L17 L28 L45 Q70 L71 V73 L99 L116L17-L19 HydrophobicContact CD2-CD1 4.1Å; L17-L19 HydrophobicContact CG-CD1 3.94Å; L17-L19 HydrophobicContact CG-CG 4.42Å; L17-L19 WeakPolarHBondContact O-CD1 3.29Å; L19-L28 HydrophobicContact CB-CD1 4.14Å; L19-L45 HydrophobicContact CD1-CD2 4.44Å; L19-L45 HydrophobicContact CD2-CD2 3.8Å; L19-Q70 WeakPolarHBondContact O-CA 3.37Å; L19-L71 HydrophobicContact CB-CB 4.37Å; L19-L71 WeakPolarHBondContact CD1-O 3.46Å; L19-L71 PolarHBondContact N-O 2.9Å; L19-L71 PolarHBondContact O-N 3.29Å; L19-V73 HydrophobicContact CD1-CB 4.26Å; L19-V73 HydrophobicContact CD1-CG2 3.49Å; L19-V73 VanDerWaalsContact CD1-CG2 3.49Å; L19-L99 HydrophobicContact CD2-CD1 3.91Å; L19-L99 HydrophobicContact CD2-CD2 4.08Å; L19-L116 HydrophobicContact CB-CD2 4.34Å; L19-L116 HydrophobicContact CD2-CD2 3.96Å; L19-L116 HydrophobicContact CG-CD2 3.75Å
20E91.3Very high86.3Confident47 Ų4752.5 Ų52.522%0.2225%0.254CS..EExtended strand (participates in β ladder)trans-126.7137.7175.5-169.2169.6-175.200110.1Q70 L114 Q115E20-Q70 HydrophobicContact CB-CG 3.97Å; E20-Q70 HydrophobicContact CG-CG 4.01Å; E20-Q70 PolarHBondContact OE2-NE2 3.39Å; E20-L114 CarbonylContact O-C 3.59Å; E20-L114 WeakPolarHBondContact O-CA 3.23Å; E20-Q115 HydrophobicContact CB-CB 4.37Å; E20-Q115 PolarHBondContact N-O 3.47Å; E20-Q115 PolarHBondContact O-N 2.97Å
21S90Very high86.8Confident11 Ų1146 Ų468%0.07723%0.226CC..EExtended strand (participates in β ladder)trans-88.6126.5172.3166.30000109.2M23 V26S21-M23 PolarHBondContact O-N 2.92Å; S21-M23 PolarHBondContact OG-N 3.31Å; S21-V26 WeakPolarHBondContact CB-O 3.39Å; S21-V26 PolarHBondContact OG-O 3.06Å
22L87.8Confident86.9Confident92 Ų9244.8 Ų44.848%0.48222%0.221SC..  trans-83.610.2174.8-61.1176.4000112.7R113 Q115L22-R113 HydrophobicContact CB-CB 4.05Å; L22-R113 HydrophobicContact CD1-CB 4.47Å; L22-R113 PolarHBondContact N-O 2.88Å; L22-Q115 HydrophobicContact CD1-CB 4.44Å; L22-Q115 HydrophobicContact CD2-CB 4.17Å; L22-Q115 HydrophobicContact CG-CB 4.26Å
23M81.8Confident86.8Confident73 Ų7348.4 Ų48.436%0.3624%0.244SC..SBendtrans-102.3116.9179.7-59.5-70.1-69.200108.5S21 K25 V26S21-M23 PolarHBondContact O-N 2.92Å; S21-M23 PolarHBondContact OG-N 3.31Å; M23-K25 PolarHBondContact O-N 3.13Å; M23-V26 HydrophobicContact CB-CB 4.22Å; M23-V26 HydrophobicContact CB-CG2 4.26Å; M23-V26 PolarHBondContact O-N 2.82Å
24D73.8Confident86.6Confident168 Ų16850.7 Ų50.790%0.89826%0.256SS*.THydrogen-bonded Turntrans-55.2-20.5-176.3-61.1-28.5000114.8
25K76.7Confident86.1Confident203 Ų20355.5 Ų55.588%0.88329%0.287SS*.THydrogen-bonded Turntrans-94.6-6.3-178.5-64.9-176.1178.9-179.60114M23M23-K25 PolarHBondContact O-N 3.13Å
26V80.7Confident85.5Confident17 Ų1763.3 Ų63.310%0.10332%0.324CS..  trans-12598.7-171.9179.40000108.6S21 M23 L28 L107 Q109S21-V26 WeakPolarHBondContact CB-O 3.39Å; S21-V26 PolarHBondContact OG-O 3.06Å; M23-V26 HydrophobicContact CB-CB 4.22Å; M23-V26 HydrophobicContact CB-CG2 4.26Å; M23-V26 PolarHBondContact O-N 2.82Å; V26-L28 HydrophobicContact CG1-CD2 4.21Å; V26-L107 HydrophobicContact CG1-CD1 3.69Å; V26-Q109 HydrophobicContact CG2-CG 4.41Å
27V84.6Confident85.2Confident32 Ų3264.4 Ų64.419%0.19433%0.33CS..  trans-97.2114.1173.4-174.30000108.3S29 E30 A31 Q69V27-S29 VanDerWaalsContact CG1-OG 3.29Å; V27-S29 WeakPolarHBondContact CG1-OG 3.41Å; V27-E30 HydrophobicContact CB-CB 4.16Å; V27-E30 HydrophobicContact CB-CG 4.04Å; V27-E30 HydrophobicContact CG1-CB 4.24Å; V27-E30 HydrophobicContact CG1-CG 3.8Å; V27-E30 PolarHBondContact O-N 3.29Å; V27-A31 WeakPolarHBondContact O-CB 3.41Å; V27-A31 PolarHBondContact O-N 3.06Å; V27-Q69 HydrophobicContact CG1-CB 4.3Å; V27-Q69 HydrophobicContact CG1-CG 4.29Å
28L82.8Confident84.9Confident5 Ų566.6 Ų66.63%0.02634%0.339CS..Hα-helixtrans-69.7-35.4-170.7-67176.5000112.9L19 V26 A31 Y32 L71 L107 L114L19-L28 HydrophobicContact CB-CD1 4.14Å; V26-L28 HydrophobicContact CG1-CD2 4.21Å; L28-A31 PolarHBondContact O-N 3.01Å; L28-Y32 WeakPolarHBondContact O-CB 3.35Å; L28-Y32 PolarHBondContact O-N 3.36Å; L28-L71 HydrophobicContact CB-CB 4.26Å; L28-L107 HydrophobicContact CD2-CD1 3.96Å; L28-L114 HydrophobicContact CD1-CD2 3.9Å
29S85.8Confident84.6Confident9 Ų966.7 Ų66.76%0.06334%0.341CS..Hα-helixtrans-63-45.9176.153.30000112V27 Y32 T33 D68V27-S29 VanDerWaalsContact CG1-OG 3.29Å; V27-S29 WeakPolarHBondContact CG1-OG 3.41Å; S29-Y32 PolarHBondContact O-N 2.83Å; S29-T33 PolarHBondContact O-N 2.58Å; S29-T33 PolarHBondContact O-OG1 2.96Å; S29-D68 VanDerWaalsContact CB-O 3.3Å; S29-D68 WeakPolarHBondContact CB-O 3.47Å; S29-D68 PolarHBondContact OG-O 3.19Å
30E86.5Confident84.4Confident137 Ų13769.1 Ų69.164%0.6436%0.358SS*.Hα-helixtrans-63.1-44.6175.3-67-178.3-177.400111V27 Y32 T33 D34V27-E30 HydrophobicContact CB-CB 4.16Å; V27-E30 HydrophobicContact CB-CG 4.04Å; V27-E30 HydrophobicContact CG1-CB 4.24Å; V27-E30 HydrophobicContact CG1-CG 3.8Å; V27-E30 PolarHBondContact O-N 3.29Å; E30-Y32 VanDerWaalsContact C-N 3.27Å; E30-Y32 PolarHBondContact O-N 3.11Å; E30-T33 WeakPolarHBondContact O-CB 3.08Å; E30-T33 PolarHBondContact O-N 3.36Å; E30-T33 VanDerWaalsContact O-N 3.13Å; E30-D34 PolarHBondContact O-N 3.14Å
31A85.4Confident84.3Confident11 Ų1167 Ų679%0.09135%0.348CS..Hα-helixtrans-63.6-32.9177.800000112.6V27 L28 K37 I41 L107V27-A31 WeakPolarHBondContact O-CB 3.41Å; V27-A31 PolarHBondContact O-N 3.06Å; L28-A31 PolarHBondContact O-N 3.01Å; A31-K37 VanDerWaalsContact O-CB 3.29Å; A31-K37 WeakPolarHBondContact O-CB 3.39Å; A31-I41 VanDerWaalsContact C-CD1 3.47Å; A31-I41 HydrophobicContact CB-CD1 3.75Å; A31-I41 WeakPolarHBondContact O-CD1 3.49Å; A31-L107 HydrophobicContact CB-CD2 3.75Å
32Y86.2Confident84.2Confident8 Ų866.5 Ų66.53%0.03134%0.344CS..Hα-helixtrans-76.7-23.7175.8-168.1-98.1000113.1L28 S29 E30 D34 K38 I41 I64 C66 L71L28-Y32 WeakPolarHBondContact O-CB 3.35Å; L28-Y32 PolarHBondContact O-N 3.36Å; S29-Y32 PolarHBondContact O-N 2.83Å; E30-Y32 VanDerWaalsContact C-N 3.27Å; E30-Y32 PolarHBondContact O-N 3.11Å; Y32-D34 VanDerWaalsContact C-N 3.32Å; Y32-K38 HydrophobicContact CD2-CG 4.24Å; Y32-K38 HydrophobicContact CE1-CG 4.26Å; Y32-K38 HydrophobicContact CE2-CG 3.93Å; Y32-K38 WeakPolarHBondContact O-CB 3.29Å; Y32-K38 WeakPolarHBondContact O-CG 3.25Å; Y32-I41 HydrophobicContact CD2-CB 4.12Å; Y32-I41 HydrophobicContact CD2-CG2 3.77Å; Y32-I41 HydrophobicContact CE2-CG2 4.4Å; Y32-I64 HydrophobicContact CD1-CG2 4.2Å; Y32-I64 HydrophobicContact CE1-CB 4.16Å; Y32-I64 HydrophobicContact CE1-CG2 3.82Å; Y32-I64 HydrophobicContact CE2-CD1 3.9Å; Y32-I64 HydrophobicContact CE2-CG2 4.18Å; Y32-C66 VanDerWaalsContact CD1-SG 3.56Å; Y32-L71 HydrophobicContact CD1-CD1 4.15Å; Y32-L71 HydrophobicContact CD2-CD1 4.25Å; Y32-L71 HydrophobicContact CG-CD1 3.77Å
33T85.6Confident84.3Confident102 Ų10267.2 Ų67.263%0.62634%0.344SS*.Hα-helixtrans-74-26.1176-53.40000111.7S29 E30 P35S29-T33 PolarHBondContact O-N 2.58Å; S29-T33 PolarHBondContact O-OG1 2.96Å; E30-T33 WeakPolarHBondContact O-CB 3.08Å; E30-T33 PolarHBondContact O-N 3.36Å; E30-T33 VanDerWaalsContact O-N 3.13Å; T33-P35 WeakPolarHBondContact O-CD 3.39Å
34D84.4Confident84.7Confident48 Ų4864.1 Ų64.126%0.25733%0.329SS..SBendtrans-70.2114.8174.1179.1-9000111.1E30 Y32 Q36 K37 K38E30-D34 PolarHBondContact O-N 3.14Å; Y32-D34 VanDerWaalsContact C-N 3.32Å; D34-Q36 PolarHBondContact O-N 2.9Å; D34-Q36 VanDerWaalsContact O-N 3.11Å; D34-Q36 PolarHBondContact OD1-N 2.76Å; D34-K37 HydrophobicContact CB-CB 4.25Å; D34-K37 HydrophobicContact CB-CD 4.34Å; D34-K37 HydrophobicContact CB-CG 4.46Å; D34-K37 PolarHBondContact O-N 2.93Å; D34-K37 WeakPolarHBondContact OD2-CD 3.34Å; D34-K37 WeakPolarHBondContact OD2-CE 3.38Å; D34-K37 IonicContact OD2-NZ 3.67Å; D34-K38 VanDerWaalsContact O-CB 3.25Å; D34-K38 WeakPolarHBondContact O-CB 3.32Å; D34-K38 PolarHBondContact O-N 2.78Å
35P80.8Confident85.5Confident105 Ų10556.1 Ų56.168%0.68229%0.287SS*.Hα-helixtrans-56-32-177.2-2433.4000114.1T33T33-P35 WeakPolarHBondContact O-CD 3.39Å
36Q80.6Confident86.1Confident164 Ų16449.4 Ų49.477%0.76626%0.259SS*.Hα-helixtrans-72.8-33.7-179.1-63.6-167.8-40.200112.2D34D34-Q36 PolarHBondContact O-N 2.9Å; D34-Q36 VanDerWaalsContact O-N 3.11Å; D34-Q36 PolarHBondContact OD1-N 2.76Å
37K84.8Confident86.4Confident92 Ų9251.1 Ų51.140%0.427%0.269SS..Hα-helixtrans-92.5-28.2-178.5-66.9177.1-170.1164.90112.3A31 D34 L39 S40 I41A31-K37 VanDerWaalsContact O-CB 3.29Å; A31-K37 WeakPolarHBondContact O-CB 3.39Å; D34-K37 HydrophobicContact CB-CB 4.25Å; D34-K37 HydrophobicContact CB-CD 4.34Å; D34-K37 HydrophobicContact CB-CG 4.46Å; D34-K37 PolarHBondContact O-N 2.93Å; D34-K37 WeakPolarHBondContact OD2-CD 3.34Å; D34-K37 WeakPolarHBondContact OD2-CE 3.38Å; D34-K37 IonicContact OD2-NZ 3.67Å; K37-L39 VanDerWaalsContact C-N 3.32Å; K37-L39 PolarHBondContact O-N 3.27Å; K37-S40 WeakPolarHBondContact O-CB 3.42Å; K37-S40 PolarHBondContact O-N 3.21Å; K37-I41 HydrophobicContact CB-CD1 4.17Å; K37-I41 WeakPolarHBondContact O-CG1 3.28Å; K37-I41 PolarHBondContact O-N 2.79Å
38K87.6Confident86.6Confident47 Ų4749.6 Ų49.620%0.20426%0.26CS..Hα-helixtrans-49.5-48.9178.2-175.7177.7-178.3178.60112.9Y32 D34 S40 I41 Y42 E151 L155Y32-K38 HydrophobicContact CD2-CG 4.24Å; Y32-K38 HydrophobicContact CE1-CG 4.26Å; Y32-K38 HydrophobicContact CE2-CG 3.93Å; Y32-K38 WeakPolarHBondContact O-CB 3.29Å; Y32-K38 WeakPolarHBondContact O-CG 3.25Å; D34-K38 VanDerWaalsContact O-CB 3.25Å; D34-K38 WeakPolarHBondContact O-CB 3.32Å; D34-K38 PolarHBondContact O-N 2.78Å; K38-S40 PolarHBondContact O-N 3.48Å; K38-I41 PolarHBondContact O-N 2.87Å; K38-Y42 VanDerWaalsContact O-CB 3.28Å; K38-Y42 WeakPolarHBondContact O-CB 3.33Å; K38-Y42 PolarHBondContact O-N 2.88Å; K38-E151 WeakPolarHBondContact CE-OE1 3.28Å; K38-E151 VanDerWaalsContact NZ-CD 3.32Å; K38-E151 IonicContact NZ-OE1 2.58Å; K38-E151 PolarHBondContact NZ-OE1 3.11Å; K38-L155 HydrophobicContact CD-CD2 4.37Å; K38-L155 HydrophobicContact CG-CD1 4.15Å; K38-L155 HydrophobicContact CG-CD2 4.2Å
39L86.4Confident86.8Confident28 Ų2849.7 Ų49.715%0.14726%0.26CS..Hα-helixtrans-63.6-42.7178.4-168.471.1000111.9K37 Y42 K43 L155 E158 L159 L162K37-L39 VanDerWaalsContact C-N 3.32Å; K37-L39 PolarHBondContact O-N 3.27Å; L39-Y42 PolarHBondContact O-N 2.83Å; L39-K43 WeakPolarHBondContact O-CB 3.37Å; L39-K43 PolarHBondContact O-N 2.87Å; L39-L155 HydrophobicContact CB-CD2 4.37Å; L39-L155 HydrophobicContact CD1-CB 4.14Å; L39-L155 HydrophobicContact CD1-CD2 3.68Å; L39-L155 WeakPolarHBondContact CD1-O 3.47Å; L39-E158 HydrophobicContact CD1-CB 3.91Å; L39-E158 HydrophobicContact CD2-CB 4.47Å; L39-L159 HydrophobicContact CD1-CD2 4.14Å; L39-L159 HydrophobicContact CD1-CG 3.79Å; L39-L159 HydrophobicContact CD2-CD2 4.45Å; L39-L159 HydrophobicContact CG-CD2 4Å; L39-L159 HydrophobicContact CG-CG 4.22Å; L39-L162 HydrophobicContact CD2-CD1 3.5Å; L39-L162 VanDerWaalsContact CD2-CD1 3.5Å
40S88.3Confident86.8Confident52 Ų5251.2 Ų51.236%0.36427%0.271SS..Hα-helixtrans-65.4-42.5178.1-610000112.2K37 K38 K43 A44 A106K37-S40 WeakPolarHBondContact O-CB 3.42Å; K37-S40 PolarHBondContact O-N 3.21Å; K38-S40 PolarHBondContact O-N 3.48Å; S40-K43 PolarHBondContact O-N 3.3Å; S40-A44 VanDerWaalsContact O-CB 3.27Å; S40-A44 WeakPolarHBondContact O-CB 3.08Å; S40-A44 PolarHBondContact O-N 2.68Å; S40-A106 WeakPolarHBondContact O-CB 3.4Å
41I90.1Very high86.6Confident2 Ų249.7 Ų49.71%0.0126%0.264CS..Hα-helixtrans-66.4-45.6176.9-67164.7000109.8A31 Y32 K37 K38 K43 A44 L45 L71 M103 A106 L107A31-I41 VanDerWaalsContact C-CD1 3.47Å; A31-I41 HydrophobicContact CB-CD1 3.75Å; A31-I41 WeakPolarHBondContact O-CD1 3.49Å; Y32-I41 HydrophobicContact CD2-CB 4.12Å; Y32-I41 HydrophobicContact CD2-CG2 3.77Å; Y32-I41 HydrophobicContact CE2-CG2 4.4Å; K37-I41 HydrophobicContact CB-CD1 4.17Å; K37-I41 WeakPolarHBondContact O-CG1 3.28Å; K37-I41 PolarHBondContact O-N 2.79Å; K38-I41 PolarHBondContact O-N 2.87Å; I41-K43 PolarHBondContact O-N 3.31Å; I41-A44 WeakPolarHBondContact O-CB 3.09Å; I41-A44 PolarHBondContact O-N 2.77Å; I41-A44 VanDerWaalsContact O-N 3.15Å; I41-L45 HydrophobicContact CG2-CD1 4.36Å; I41-L45 WeakPolarHBondContact O-CG 3.2Å; I41-L45 PolarHBondContact O-N 3.46Å; I41-L71 HydrophobicContact CG2-CD2 4.25Å; I41-M103 HydrophobicContact CG2-CE 4.15Å; I41-M103 HydrophobicContact CG2-SD 4.06Å; I41-M103 WeakPolarHBondContact O-CE 3.41Å; I41-A106 HydrophobicContact CG1-CB 4.43Å; I41-L107 HydrophobicContact CD1-CD2 4.06Å; I41-L107 HydrophobicContact CG1-CD2 4.26Å
42Y88.6Confident86.1Confident2 Ų250 Ų501%0.00827%0.266CS..Hα-helixtrans-59.3-46.1176.6179-107.2000111.9K38 L39 A44 L45 Q46 I61 I64 R148 L152 L155 E156 L159K38-Y42 VanDerWaalsContact O-CB 3.28Å; K38-Y42 WeakPolarHBondContact O-CB 3.33Å; K38-Y42 PolarHBondContact O-N 2.88Å; L39-Y42 PolarHBondContact O-N 2.83Å; Y42-A44 VanDerWaalsContact C-N 3.3Å; Y42-A44 PolarHBondContact O-N 3.42Å; Y42-L45 WeakPolarHBondContact O-CB 3.32Å; Y42-L45 PolarHBondContact O-N 3.3Å; Y42-Q46 PolarHBondContact O-N 2.82Å; Y42-I61 HydrophobicContact CE2-CD1 3.89Å; Y42-I64 HydrophobicContact CD2-CD1 3.74Å; Y42-I64 HydrophobicContact CE2-CD1 4.33Å; Y42-R148 PolarHBondContact OH-NH2 3.5Å; Y42-L152 HydrophobicContact CD2-CD2 3.82Å; Y42-L152 HydrophobicContact CE2-CD2 3.73Å; Y42-L155 HydrophobicContact CD1-CB 3.74Å; Y42-L155 HydrophobicContact CD1-CD1 4.29Å; Y42-L155 HydrophobicContact CD2-CD1 4.39Å; Y42-L155 HydrophobicContact CE1-CB 4.16Å; Y42-L155 HydrophobicContact CG-CB 4.24Å; Y42-L155 HydrophobicContact CG-CD1 3.94Å; Y42-E156 HydrophobicContact CE1-CG 3.7Å; Y42-E156 WeakPolarHBondContact OH-CG 3.29Å; Y42-E156 PolarHBondContact OH-OE1 3.05Å; Y42-L159 HydrophobicContact CD1-CD1 3.63Å; Y42-L159 HydrophobicContact CE1-CD1 3.87Å
43K88.4Confident85.2Confident107 Ų10749.9 Ų49.947%0.46527%0.266SS..Hα-helixtrans-57.9-43.2173.8-171.2-177.8-176.8171.50112L39 S40 I41 Q46 T47 L159L39-K43 WeakPolarHBondContact O-CB 3.37Å; L39-K43 PolarHBondContact O-N 2.87Å; S40-K43 PolarHBondContact O-N 3.3Å; I41-K43 PolarHBondContact O-N 3.31Å; K43-Q46 PolarHBondContact O-N 3.46Å; K43-T47 WeakPolarHBondContact O-CB 3.48Å; K43-T47 PolarHBondContact O-N 3.3Å; K43-T47 PolarHBondContact O-OG1 2.98Å; K43-L159 HydrophobicContact CB-CD1 3.88Å; K43-L159 HydrophobicContact CB-CD2 3.78Å; K43-L159 HydrophobicContact CB-CG 4.5Å; K43-L159 HydrophobicContact CD-CD2 3.71Å; K43-L159 HydrophobicContact CG-CD1 4.22Å; K43-L159 HydrophobicContact CG-CD2 3.84Å
44A90.4Very high84.2Confident7 Ų751.1 Ų51.16%0.05827%0.269CS..Hα-helixtrans-65.6-40.1-179.500000111.9S40 I41 Y42 A48 C102 M103 A106S40-A44 VanDerWaalsContact O-CB 3.27Å; S40-A44 WeakPolarHBondContact O-CB 3.08Å; S40-A44 PolarHBondContact O-N 2.68Å; I41-A44 WeakPolarHBondContact O-CB 3.09Å; I41-A44 PolarHBondContact O-N 2.77Å; I41-A44 VanDerWaalsContact O-N 3.15Å; Y42-A44 VanDerWaalsContact C-N 3.3Å; Y42-A44 PolarHBondContact O-N 3.42Å; A44-A48 WeakPolarHBondContact O-CB 3.48Å; A44-A48 PolarHBondContact O-N 3.44Å; A44-C102 HydrophobicContact CB-CB 3.73Å; A44-C102 WeakPolarHBondContact CB-O 3.5Å; A44-M103 HydrophobicContact CB-CE 3.37Å; A44-M103 HydrophobicContact CB-SD 4.3Å; A44-A106 HydrophobicContact CB-CB 3.88Å
45L90.8Very high83Confident1 Ų150.3 Ų50.31%0.00527%0.267CS..Hα-helixtrans-61.2-51.3172-71.2169.9000111.3L19 I41 Y42 T47 A48 L49 I61 I64 L71 V73 L99 M103L19-L45 HydrophobicContact CD1-CD2 4.44Å; L19-L45 HydrophobicContact CD2-CD2 3.8Å; I41-L45 HydrophobicContact CG2-CD1 4.36Å; I41-L45 WeakPolarHBondContact O-CG 3.2Å; I41-L45 PolarHBondContact O-N 3.46Å; Y42-L45 WeakPolarHBondContact O-CB 3.32Å; Y42-L45 PolarHBondContact O-N 3.3Å; L45-T47 VanDerWaalsContact C-N 3.32Å; L45-T47 PolarHBondContact O-N 3.05Å; L45-A48 PolarHBondContact O-N 2.92Å; L45-L49 WeakPolarHBondContact O-CB 2.81Å; L45-L49 WeakPolarHBondContact O-CD1 3.36Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.35Å; L45-L49 PolarHBondContact O-N 3.5Å; L45-I61 HydrophobicContact CB-CD1 4.15Å; L45-I64 HydrophobicContact CD1-CD1 3.55Å; L45-L71 HydrophobicContact CD1-CD2 3.84Å; L45-V73 HydrophobicContact CD1-CG2 3.98Å; L45-V73 HydrophobicContact CD2-CG2 4.18Å; L45-L99 HydrophobicContact CD2-CD2 3.76Å; L45-M103 HydrophobicContact CB-CE 4.46Å; L45-M103 HydrophobicContact CD2-CE 3.8Å; L45-M103 HydrophobicContact CG-CE 3.67Å
46Q88.6Confident81.9Confident62 Ų6249.2 Ų49.229%0.2926%0.259SS..Hα-helixtrans-59.6-44.7-179.5-171.5176.13200111.5Y42 K43 L49 S50 E156Y42-Q46 PolarHBondContact O-N 2.82Å; K43-Q46 PolarHBondContact O-N 3.46Å; Q46-L49 PolarHBondContact O-N 3.41Å; Q46-S50 VanDerWaalsContact O-CB 3.32Å; Q46-S50 WeakPolarHBondContact O-CB 3.48Å; Q46-S50 PolarHBondContact O-N 2.89Å; Q46-S50 PolarHBondContact O-OG 3.22Å; Q46-E156 PolarHBondContact NE2-OE1 3.04Å; Q46-E156 VanDerWaalsContact NE2-OE1 3.14Å
47T87.8Confident81Confident53 Ų5347.8 Ų47.833%0.32526%0.257SS..Hα-helixtrans-61.1-51.2179.1-53.50000110.9K43 L45 L49 S50 E51K43-T47 WeakPolarHBondContact O-CB 3.48Å; K43-T47 PolarHBondContact O-N 3.3Å; K43-T47 PolarHBondContact O-OG1 2.98Å; L45-T47 VanDerWaalsContact C-N 3.32Å; L45-T47 PolarHBondContact O-N 3.05Å; T47-L49 VanDerWaalsContact C-N 3.35Å; T47-L49 PolarHBondContact O-N 3.32Å; T47-S50 PolarHBondContact O-N 3.34Å; T47-S50 PolarHBondContact O-OG 3.43Å; T47-E51 WeakPolarHBondContact O-CB 3.31Å; T47-E51 PolarHBondContact O-N 3.03Å
48A89.6Confident80.2Confident0 Ų045.3 Ų45.30%025%0.25CC..Hα-helixtrans-64.1-37.9-178.300000113.1A44 L45 S52 A98 L99 C102A44-A48 WeakPolarHBondContact O-CB 3.48Å; A44-A48 PolarHBondContact O-N 3.44Å; L45-A48 PolarHBondContact O-N 2.92Å; A48-S52 PolarHBondContact O-N 3.35Å; A48-S52 PolarHBondContact O-OG 3.19Å; A48-A98 HydrophobicContact CB-CB 4.01Å; A48-L99 HydrophobicContact CB-CB 4.43Å; A48-L99 HydrophobicContact CB-CD2 3.6Å; A48-L99 HydrophobicContact CB-CG 3.78Å; A48-C102 HydrophobicContact CB-CB 4.42Å
49L87.5Confident80Confident7 Ų744.1 Ų44.14%0.03725%0.245CC..Hα-helixtrans-68.6-41.8176.1-70.1167.6000111.4L45 Q46 T47 S52 A53 L59 I61 L75 F86 L95L45-L49 WeakPolarHBondContact O-CB 2.81Å; L45-L49 WeakPolarHBondContact O-CD1 3.36Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.35Å; L45-L49 PolarHBondContact O-N 3.5Å; Q46-L49 PolarHBondContact O-N 3.41Å; T47-L49 VanDerWaalsContact C-N 3.35Å; T47-L49 PolarHBondContact O-N 3.32Å; L49-S52 PolarHBondContact O-N 3.31Å; L49-A53 VanDerWaalsContact O-CB 3.28Å; L49-A53 WeakPolarHBondContact O-CB 3.39Å; L49-A53 PolarHBondContact O-N 3.09Å; L49-L59 HydrophobicContact CB-CD2 4.1Å; L49-L59 HydrophobicContact CD2-CD2 4.01Å; L49-I61 HydrophobicContact CD1-CD1 3.78Å; L49-I61 HydrophobicContact CD1-CG1 3.8Å; L49-L75 HydrophobicContact CD1-CD2 3.86Å; L49-L75 HydrophobicContact CD2-CD1 4.48Å; L49-L75 HydrophobicContact CD2-CD2 4.43Å; L49-F86 HydrophobicContact CD2-CE2 3.89Å; L49-L95 HydrophobicContact CD2-CD1 3.88Å; L49-L95 HydrophobicContact CD2-CD2 4.49Å
50S84.6Confident79.8Confident41 Ų4145.6 Ų45.629%0.28725%0.252SS..Hα-helixtrans-65.1-38.1177.568.30000112.9Q46 T47 S52 A53 D54Q46-S50 VanDerWaalsContact O-CB 3.32Å; Q46-S50 WeakPolarHBondContact O-CB 3.48Å; Q46-S50 PolarHBondContact O-N 2.89Å; Q46-S50 PolarHBondContact O-OG 3.22Å; T47-S50 PolarHBondContact O-N 3.34Å; T47-S50 PolarHBondContact O-OG 3.43Å; S50-S52 VanDerWaalsContact C-N 3.28Å; S50-S52 PolarHBondContact O-N 2.71Å; S50-A53 PolarHBondContact O-N 3.27Å; S50-D54 PolarHBondContact O-N 3.46Å; S50-D54 VanDerWaalsContact O-N 3.1Å
51E83.3Confident79.9Confident105 Ų10543.6 Ų43.649%0.49124%0.237SC..Hα-helixtrans-66.9-30.5176.2-173.3175.5149.500112.2T47 R101T47-E51 WeakPolarHBondContact O-CB 3.31Å; T47-E51 PolarHBondContact O-N 3.03Å; E51-R101 IonicContact OE1-CZ 2.71Å; E51-R101 IonicContact OE1-NH2 3.66Å; E51-R101 PolarHBondContact OE1-NH2 3.04Å; E51-R101 IonicContact OE2-CZ 3.72Å; E51-R101 IonicContact OE2-NH1 3.31Å; E51-R101 IonicContact OE2-NH2 3.37Å; E51-R101 PolarHBondContact OE2-NH2 3.39Å
52S74.9Confident79.7Confident18 Ų1843.7 Ų43.713%0.12624%0.237CC..Hα-helixtrans-87.1-18.9179.5-53.60000113.4A48 L49 S50 L95A48-S52 PolarHBondContact O-N 3.35Å; A48-S52 PolarHBondContact O-OG 3.19Å; L49-S52 PolarHBondContact O-N 3.31Å; S50-S52 VanDerWaalsContact C-N 3.28Å; S50-S52 PolarHBondContact O-N 2.71Å; S52-L95 VanDerWaalsContact OG-CD1 3.28Å; S52-L95 WeakPolarHBondContact OG-CD1 3.47Å
53A66.3Low79.7Confident4 Ų445.9 Ų45.93%0.03325%0.247CC..Hα-helixtrans-110.7-0-174.500000114.1L49 S50 S55 L59L49-A53 VanDerWaalsContact O-CB 3.28Å; L49-A53 WeakPolarHBondContact O-CB 3.39Å; L49-A53 PolarHBondContact O-N 3.09Å; S50-A53 PolarHBondContact O-N 3.27Å; A53-S55 PolarHBondContact O-N 3.41Å; A53-S55 PolarHBondContact O-OG 3.25Å; A53-L59 HydrophobicContact CB-CB 4.32Å; A53-L59 HydrophobicContact CB-CD2 3.99Å
54D65Low79.7Confident129 Ų12941.4 Ų41.469%0.6923%0.228SC*.SBendtrans53.23.3-176.9-70.2-35.3000115.8S50S50-D54 PolarHBondContact O-N 3.46Å; S50-D54 VanDerWaalsContact O-N 3.1Å
55S59Low79.6Confident30 Ų3043.8 Ų43.821%0.2124%0.238CC..  trans-157.5132.4179.460.70000112.3A53A53-S55 PolarHBondContact O-N 3.41Å; A53-S55 PolarHBondContact O-OG 3.25Å
56P57.7Low79.4Confident82 Ų8246.7 Ų46.753%0.53226%0.257SS..SBendtrans-83.2-22.3-177.931.8-35000114.1V58P56-V58 VanDerWaalsContact C-N 3.25Å; P56-V58 PolarHBondContact O-N 3.5Å
57D61.4Low79.2Confident134 Ų13446.2 Ų46.272%0.71726%0.261SS*.SBendtrans-78.6-11.3-170.9-67.5-34.9000113.7Q60D57-Q60 PolarHBondContact O-NE2 2.98Å
58V68.8Low78.9Confident41 Ų4150.8 Ų50.825%0.24828%0.283CS..SBendtrans-119.9-19.4-160.6-158.40000113.6P56 C78 L82P56-V58 VanDerWaalsContact C-N 3.25Å; P56-V58 PolarHBondContact O-N 3.5Å; V58-C78 HydrophobicContact CG1-CB 3.74Å; V58-C78 WeakPolarHBondContact CG1-O 3.35Å; V58-C78 PolarHBondContact O-N 3Å; V58-C78 VanDerWaalsContact O-N 3.1Å; V58-L82 HydrophobicContact CB-CD1 3.58Å; V58-L82 HydrophobicContact CG1-CD1 3.22Å; V58-L82 HydrophobicContact CG2-CD1 4.08Å
59L81.9Confident78.6Confident21 Ų2156.2 Ų56.211%0.1131%0.309CS..EExtended strand (participates in β ladder)trans-112.2108.1167.3179.160.6000108.9L49 A53 L75 F77 F86L49-L59 HydrophobicContact CB-CD2 4.1Å; L49-L59 HydrophobicContact CD2-CD2 4.01Å; A53-L59 HydrophobicContact CB-CB 4.32Å; A53-L59 HydrophobicContact CB-CD2 3.99Å; L59-L75 HydrophobicContact CD1-CB 4.25Å; L59-L75 HydrophobicContact CD1-CD2 4.46Å; L59-F77 HydrophobicContact CD1-CD1 3.49Å; L59-F77 VanDerWaalsContact CD1-CD1 3.49Å; L59-F77 HydrophobicContact CD1-CE1 3.35Å; L59-F77 HydrophobicContact CD1-CE2 4.44Å; L59-F77 HydrophobicContact CD1-CG 4.11Å; L59-F77 HydrophobicContact CD1-CZ 3.87Å; L59-F86 HydrophobicContact CD2-CD2 3.92Å; L59-F86 HydrophobicContact CD2-CE2 4.29Å
60Q84.2Confident78.6Confident60 Ų6058 Ų5828%0.2832%0.316SS..EExtended strand (participates in β ladder)trans-110.6136.8-173.2-63.7177.3-2.600111D57 L75 R76D57-Q60 PolarHBondContact O-NE2 2.98Å; Q60-L75 CarbonylContact O-C 3.59Å; Q60-L75 WeakPolarHBondContact O-CA 3.48Å; Q60-R76 HydrophobicContact CB-CB 4.3Å; Q60-R76 PolarHBondContact N-O 3.01Å; Q60-R76 PolarHBondContact O-N 2.84Å
61I89Confident78.9Confident10 Ų1056.1 Ų56.15%0.05130%0.304CS..EExtended strand (participates in β ladder)trans-83.3115.5167.8-55.6171.6000107.5Y42 L45 L49 I64 V73 L75 L152Y42-I61 HydrophobicContact CE2-CD1 3.89Å; L45-I61 HydrophobicContact CB-CD1 4.15Å; L49-I61 HydrophobicContact CD1-CD1 3.78Å; L49-I61 HydrophobicContact CD1-CG1 3.8Å; I61-I64 HydrophobicContact CG2-CD1 4.31Å; I61-I64 HydrophobicContact CG2-CG1 3.86Å; I61-V73 HydrophobicContact CB-CG1 4.44Å; I61-V73 HydrophobicContact CD1-CG1 4.39Å; I61-V73 HydrophobicContact CG1-CG1 4.1Å; I61-V73 HydrophobicContact CG2-CG1 3.63Å; I61-L75 HydrophobicContact CG1-CD2 4.11Å; I61-L152 HydrophobicContact CB-CD1 4.39Å; I61-L152 HydrophobicContact CG2-CD1 3.72Å
62L86.4Confident79.3Confident3 Ų352.1 Ų52.12%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-82-42.4178.4-64.7-175.4000111.9Q74 R76 P144 R148 D149 L152L62-Q74 HydrophobicContact CB-CB 4.35Å; L62-Q74 HydrophobicContact CB-CG 4.16Å; L62-Q74 HydrophobicContact CD1-CG 4.27Å; L62-Q74 PolarHBondContact N-O 3.46Å; L62-R76 HydrophobicContact CD1-CB 3.88Å; L62-R76 HydrophobicContact CD2-CB 3.79Å; L62-R76 HydrophobicContact CG-CB 3.72Å; L62-P144 HydrophobicContact CD1-CB 3.79Å; L62-R148 HydrophobicContact CD2-CB 4.5Å; L62-D149 PolarHBondContact O-N 3.13Å; L62-L152 WeakPolarHBondContact O-CD1 3.39Å
63K87.8Confident80.1Confident49 Ų4951.3 Ų51.321%0.21328%0.279CS..EExtended strand (participates in β ladder)trans-157.4149.4-174.3-176.3156.9-172.7113.70110.7H65 Q74 D149K63-H65 WeakPolarHBondContact CD-CE1 3.17Å; K63-H65 WeakPolarHBondContact CD-NE2 3.47Å; K63-H65 WeakPolarHBondContact CE-CE1 3.46Å; K63-Q74 HydrophobicContact CB-CB 4.13Å; K63-Q74 PolarHBondContact O-N 2.89Å; K63-D149 WeakPolarHBondContact CD-OD2 3.24Å; K63-D149 WeakPolarHBondContact CE-OD2 3.35Å; K63-D149 WeakPolarHBondContact CG-OD2 3.43Å; K63-D149 IonicContact NZ-OD1 3.44Å; K63-D149 PolarHBondContact NZ-OD1 2.74Å; K63-D149 IonicContact NZ-OD2 3.49Å; K63-D149 PolarHBondContact NZ-OD2 2.74Å
64I89.4Confident81.3Confident12 Ų1251.4 Ų51.46%0.06228%0.279CS..EExtended strand (participates in β ladder)trans-118119.3168.9-61.8178.9000107.2Y32 Y42 L45 I61 L71 I72 V73 L152Y32-I64 HydrophobicContact CD1-CG2 4.2Å; Y32-I64 HydrophobicContact CE1-CB 4.16Å; Y32-I64 HydrophobicContact CE1-CG2 3.82Å; Y32-I64 HydrophobicContact CE2-CD1 3.9Å; Y32-I64 HydrophobicContact CE2-CG2 4.18Å; Y42-I64 HydrophobicContact CD2-CD1 3.74Å; Y42-I64 HydrophobicContact CE2-CD1 4.33Å; L45-I64 HydrophobicContact CD1-CD1 3.55Å; I61-I64 HydrophobicContact CG2-CD1 4.31Å; I61-I64 HydrophobicContact CG2-CG1 3.86Å; I64-L71 HydrophobicContact CG2-CD1 3.49Å; I64-L71 VanDerWaalsContact CG2-CD1 3.49Å; I64-L71 HydrophobicContact CG2-CD2 3.95Å; I64-L71 HydrophobicContact CG2-CG 3.63Å; I64-I72 CarbonylContact C-O 3.58Å; I64-I72 WeakPolarHBondContact CA-O 3.07Å; I64-V73 HydrophobicContact CG1-CG1 4.45Å; I64-V73 HydrophobicContact CG1-CG2 4.36Å; I64-L152 HydrophobicContact CD1-CD2 3.91Å; I64-L152 HydrophobicContact CG1-CD2 4.07Å
65H88Confident82.5Confident58 Ų5845.2 Ų45.227%0.26925%0.246SC..EExtended strand (participates in β ladder)trans-102136.4175-52.1-100.6000109.6K63 I72K63-H65 WeakPolarHBondContact CD-CE1 3.17Å; K63-H65 WeakPolarHBondContact CD-NE2 3.47Å; K63-H65 WeakPolarHBondContact CE-CE1 3.46Å; H65-I72 HydrophobicContact CB-CB 4.16Å; H65-I72 PolarHBondContact N-O 3.06Å; H65-I72 PolarHBondContact O-N 3.06Å
66C87.1Confident84Confident62 Ų6247.2 Ų47.242%0.41925%0.249SC..EExtended strand (participates in β ladder)trans-96123.2168.8-63.80000108.3Y32Y32-C66 VanDerWaalsContact CD1-SG 3.56Å
67S83.9Confident85.5Confident51 Ų5143.6 Ų43.636%0.35723%0.225SC..EExtended strand (participates in β ladder)trans-135111.6177.5-171.50000109.6Q69 Q70S67-Q69 PolarHBondContact O-N 3.04Å; S67-Q70 PolarHBondContact N-O 3.22Å; S67-Q70 PolarHBondContact O-N 3.44Å; S67-Q70 VanDerWaalsContact O-O 3.13Å
68D81.6Confident86.6Confident149 Ų14938 Ų3880%0.79720%0.196SC*.THydrogen-bonded Turntrans48.3-102.3-177.6-58.8-39.2000112.9S29S29-D68 VanDerWaalsContact CB-O 3.3Å; S29-D68 WeakPolarHBondContact CB-O 3.47Å; S29-D68 PolarHBondContact OG-O 3.19Å
69Q83.1Confident87.4Confident115 Ų11537.4 Ų37.454%0.53720%0.198SC..THydrogen-bonded Turntrans-102.8-7.3179.5-60-175.446.300113.7V27 S67V27-Q69 HydrophobicContact CG1-CB 4.3Å; V27-Q69 HydrophobicContact CG1-CG 4.29Å; S67-Q69 PolarHBondContact O-N 3.04Å
70Q87.3Confident87.6Confident43 Ų4341.9 Ų41.920%0.20121%0.214CC..EExtended strand (participates in β ladder)trans-103.6147.6-172.8-59.5-173.9-2100111.8L19 E20 S67L19-Q70 WeakPolarHBondContact O-CA 3.37Å; E20-Q70 HydrophobicContact CB-CG 3.97Å; E20-Q70 HydrophobicContact CG-CG 4.01Å; E20-Q70 PolarHBondContact OE2-NE2 3.39Å; S67-Q70 PolarHBondContact N-O 3.22Å; S67-Q70 PolarHBondContact O-N 3.44Å; S67-Q70 VanDerWaalsContact O-O 3.13Å
71L90.4Very high87.6Confident3 Ų344.9 Ų44.92%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-104.4121.7168.4-162.478.7000108.4L19 L28 Y32 I41 L45 I64 V73L19-L71 HydrophobicContact CB-CB 4.37Å; L19-L71 WeakPolarHBondContact CD1-O 3.46Å; L19-L71 PolarHBondContact N-O 2.9Å; L19-L71 PolarHBondContact O-N 3.29Å; L28-L71 HydrophobicContact CB-CB 4.26Å; Y32-L71 HydrophobicContact CD1-CD1 4.15Å; Y32-L71 HydrophobicContact CD2-CD1 4.25Å; Y32-L71 HydrophobicContact CG-CD1 3.77Å; I41-L71 HydrophobicContact CG2-CD2 4.25Å; L45-L71 HydrophobicContact CD1-CD2 3.84Å; I64-L71 HydrophobicContact CG2-CD1 3.49Å; I64-L71 VanDerWaalsContact CG2-CD1 3.49Å; I64-L71 HydrophobicContact CG2-CD2 3.95Å; I64-L71 HydrophobicContact CG2-CG 3.63Å; L71-V73 HydrophobicContact CD2-CG2 4.35Å
72I91.9Very high87.4Confident21 Ų2146.3 Ų46.311%0.10824%0.239CC..EExtended strand (participates in β ladder)trans-108.9114.1-178.3-47.4170.7000108.4Y16 L17 F18 I64 H65Y16-I72 HydrophobicContact CD1-CG2 4Å; Y16-I72 HydrophobicContact CG-CG2 4.46Å; L17-I72 CarbonylContact O-C 3.58Å; L17-I72 WeakPolarHBondContact O-CA 3.48Å; F18-I72 HydrophobicContact CD1-CB 4.42Å; F18-I72 HydrophobicContact CD1-CD1 3.84Å; F18-I72 HydrophobicContact CD1-CG1 3.58Å; F18-I72 HydrophobicContact CD1-CG2 4.17Å; F18-I72 HydrophobicContact CD2-CG2 4.31Å; F18-I72 HydrophobicContact CE1-CB 4.44Å; F18-I72 HydrophobicContact CE1-CD1 3.41Å; F18-I72 VanDerWaalsContact CE1-CD1 3.41Å; F18-I72 HydrophobicContact CE1-CG1 3.67Å; F18-I72 HydrophobicContact CE1-CG2 3.95Å; F18-I72 HydrophobicContact CE2-CG2 4.06Å; F18-I72 HydrophobicContact CG-CG1 4.32Å; F18-I72 HydrophobicContact CG-CG2 4.33Å; F18-I72 HydrophobicContact CZ-CD1 4.19Å; F18-I72 HydrophobicContact CZ-CG1 4.45Å; F18-I72 HydrophobicContact CZ-CG2 3.87Å; I64-I72 CarbonylContact C-O 3.58Å; I64-I72 WeakPolarHBondContact CA-O 3.07Å; H65-I72 HydrophobicContact CB-CB 4.16Å; H65-I72 PolarHBondContact N-O 3.06Å; H65-I72 PolarHBondContact O-N 3.06Å
73V92.5Very high87.5Confident0 Ų046.2 Ų46.20%024%0.238CC..EExtended strand (participates in β ladder)trans-101.8115-177.5-175.70000108.6Y16 L17 L19 L45 I61 I64 L71 L75Y16-V73 WeakPolarHBondContact CA-O 3.3Å; L17-V73 HydrophobicContact CB-CB 4.4Å; L17-V73 PolarHBondContact N-O 3.45Å; L17-V73 PolarHBondContact O-N 3.07Å; L19-V73 HydrophobicContact CD1-CB 4.26Å; L19-V73 HydrophobicContact CD1-CG2 3.49Å; L19-V73 VanDerWaalsContact CD1-CG2 3.49Å; L45-V73 HydrophobicContact CD1-CG2 3.98Å; L45-V73 HydrophobicContact CD2-CG2 4.18Å; I61-V73 HydrophobicContact CB-CG1 4.44Å; I61-V73 HydrophobicContact CD1-CG1 4.39Å; I61-V73 HydrophobicContact CG1-CG1 4.1Å; I61-V73 HydrophobicContact CG2-CG1 3.63Å; I64-V73 HydrophobicContact CG1-CG1 4.45Å; I64-V73 HydrophobicContact CG1-CG2 4.36Å; L71-V73 HydrophobicContact CD2-CG2 4.35Å; V73-L75 HydrophobicContact CG1-CD2 3.75Å; V73-L75 HydrophobicContact CG1-CG 4.34Å
74Q91.3Very high87.5Confident6 Ų644 Ų443%0.02823%0.229CC..EExtended strand (participates in β ladder)trans-81.6119.1173.1-171178.15.700109.3Y16 L62 K63Y16-Q74 HydrophobicContact CD1-CB 3.92Å; Y16-Q74 HydrophobicContact CD1-CG 4.02Å; Y16-Q74 HydrophobicContact CE1-CB 3.73Å; Y16-Q74 HydrophobicContact CE1-CG 3.53Å; Y16-Q74 PolarHBondContact OH-NE2 3.04Å; L62-Q74 HydrophobicContact CB-CB 4.35Å; L62-Q74 HydrophobicContact CB-CG 4.16Å; L62-Q74 HydrophobicContact CD1-CG 4.27Å; L62-Q74 PolarHBondContact N-O 3.46Å; K63-Q74 HydrophobicContact CB-CB 4.13Å; K63-Q74 PolarHBondContact O-N 2.89Å
75L90.8Very high87.5Confident0 Ų048.7 Ų48.70%025%0.246CC..EExtended strand (participates in β ladder)trans-106.4141.6-177.8-60.1174.6000110.3S14 A15 L17 L49 L59 Q60 I61 V73 F77 F86S14-L75 WeakPolarHBondContact CA-O 3.49Å; S14-L75 WeakPolarHBondContact CB-O 3.33Å; A15-L75 PolarHBondContact N-O 2.95Å; A15-L75 VanDerWaalsContact N-O 3.09Å; A15-L75 PolarHBondContact O-N 2.52Å; L17-L75 HydrophobicContact CB-CD1 4.05Å; L49-L75 HydrophobicContact CD1-CD2 3.86Å; L49-L75 HydrophobicContact CD2-CD1 4.48Å; L49-L75 HydrophobicContact CD2-CD2 4.43Å; L59-L75 HydrophobicContact CD1-CB 4.25Å; L59-L75 HydrophobicContact CD1-CD2 4.46Å; Q60-L75 CarbonylContact O-C 3.59Å; Q60-L75 WeakPolarHBondContact O-CA 3.48Å; I61-L75 HydrophobicContact CG1-CD2 4.11Å; V73-L75 HydrophobicContact CG1-CD2 3.75Å; V73-L75 HydrophobicContact CG1-CG 4.34Å; L75-F77 HydrophobicContact CB-CE2 3.81Å; L75-F77 HydrophobicContact CB-CZ 4.07Å; L75-F77 HydrophobicContact CD1-CE2 4.47Å; L75-F77 HydrophobicContact CD1-CZ 3.99Å; L75-F86 HydrophobicContact CD1-CE2 4.23Å; L75-F86 HydrophobicContact CD1-CZ 3.88Å
76R89.9Confident87.6Confident72 Ų7246 Ų4627%0.27223%0.234SC..EExtended strand (participates in β ladder)trans-111.2127.8165.8174.1-179176.4-176.23.6108.9V12 Q60 L62 C78 P144V12-R76 HydrophobicContact CG1-CG 4.18Å; Q60-R76 HydrophobicContact CB-CB 4.3Å; Q60-R76 PolarHBondContact N-O 3.01Å; Q60-R76 PolarHBondContact O-N 2.84Å; L62-R76 HydrophobicContact CD1-CB 3.88Å; L62-R76 HydrophobicContact CD2-CB 3.79Å; L62-R76 HydrophobicContact CG-CB 3.72Å; R76-C78 PolarHBondContact NE-SG 2.91Å; R76-P144 HydrophobicContact CG-CG 4.39Å
77F88Confident87.7Confident5 Ų543.4 Ų43.42%0.02222%0.215CC..EExtended strand (participates in β ladder)trans-105.6130.4173.9-59.3-92.6000109.2W11 V12 G13 A15 L59 L75 C83 F86 I139W11-F77 HydrophobicContact CH2-CB 4.31Å; W11-F77 HydrophobicContact CZ3-CB 3.64Å; V12-F77 WeakPolarHBondContact CA-O 3.33Å; G13-F77 PolarHBondContact N-O 3.16Å; G13-F77 VanDerWaalsContact N-O 3.12Å; G13-F77 PolarHBondContact O-N 2.83Å; A15-F77 HydrophobicContact CB-CE2 3.82Å; L59-F77 HydrophobicContact CD1-CD1 3.49Å; L59-F77 VanDerWaalsContact CD1-CD1 3.49Å; L59-F77 HydrophobicContact CD1-CE1 3.35Å; L59-F77 HydrophobicContact CD1-CE2 4.44Å; L59-F77 HydrophobicContact CD1-CG 4.11Å; L59-F77 HydrophobicContact CD1-CZ 3.87Å; L75-F77 HydrophobicContact CB-CE2 3.81Å; L75-F77 HydrophobicContact CB-CZ 4.07Å; L75-F77 HydrophobicContact CD1-CE2 4.47Å; L75-F77 HydrophobicContact CD1-CZ 3.99Å; F77-C83 HydrophobicContact CB-CB 4.17Å; F77-C83 HydrophobicContact CD1-CB 3.87Å; F77-C83 HydrophobicContact CG-CB 4.14Å; F77-F86 HydrophobicContact CE1-CB 3.96Å; F77-F86 AromaticContact CE1-CD1 3.55Å; F77-F86 HydrophobicContact CE1-CD1 3.55Å; F77-F86 HydrophobicContact CE1-CD2 4.15Å; F77-F86 HydrophobicContact CE1-CE1 4.06Å; F77-F86 AromaticContact CE1-CG 3.61Å; F77-F86 HydrophobicContact CE1-CG 3.61Å; F77-F86 AromaticContact CZ-CD1 3.69Å; F77-F86 HydrophobicContact CZ-CD1 3.69Å; F77-F86 AromaticContact CZ-CE1 3.73Å; F77-F86 HydrophobicContact CZ-CE1 3.73Å; F77-F86 HydrophobicContact CZ-CG 4.15Å; F77-F86 HydrophobicContact CZ-CZ 4.21Å; F77-I139 HydrophobicContact CD2-CG2 3.8Å; F77-I139 HydrophobicContact CE2-CG2 4.31Å; F77-I139 HydrophobicContact CG-CG2 4.5Å
78C84.9Confident88.1Confident18 Ų1845 Ų4512%0.12222%0.217CC..EExtended strand (participates in β ladder)trans-111.7117.4170.3-63.10000108.5V58 R76V58-C78 HydrophobicContact CG1-CB 3.74Å; V58-C78 WeakPolarHBondContact CG1-O 3.35Å; V58-C78 PolarHBondContact O-N 3Å; V58-C78 VanDerWaalsContact O-N 3.1Å; R76-C78 PolarHBondContact NE-SG 2.91Å
79G85.3Confident88.5Confident28 Ų2838.5 Ų38.529%0.28918%0.184SC..SBendtrans89127.8-177.500000115W11 L81 L82 C83W11-G79 PolarHBondContact O-N 3.34Å; G79-L81 PolarHBondContact O-N 3.42Å; G79-L82 PolarHBondContact O-N 3.19Å; G79-C83 PolarHBondContact O-N 3.44Å
80R86.6Confident88.9Confident115 Ų11533.8 Ų33.843%0.43416%0.162SC..Hα-helixtrans-60.7-40.6-176.5-175174.5173160.5-2.9113.5W11 L82 C83 G84 E133 L136W11-R80 HydrophobicContact CB-CB 4.48Å; W11-R80 HydrophobicContact CD2-CB 3.84Å; W11-R80 HydrophobicContact CE3-CB 4.4Å; W11-R80 VanDerWaalsContact CE3-N 3.34Å; W11-R80 HydrophobicContact CG-CB 3.85Å; R80-L82 VanDerWaalsContact C-N 3.34Å; R80-L82 PolarHBondContact O-N 3.37Å; R80-C83 PolarHBondContact O-N 2.8Å; R80-G84 PolarHBondContact O-N 2.94Å; R80-E133 IonicContact NH2-OE1 3.76Å; R80-L136 HydrophobicContact CG-CD1 3.98Å; R80-L136 HydrophobicContact CG-CD2 4.39Å
81L85.3Confident89.1Confident123 Ų12337.7 Ų37.764%0.64418%0.175SC*.Hα-helixtrans-62.3-40-176.1-178.765.2000112.4G79 G84 R85G79-L81 PolarHBondContact O-N 3.42Å; L81-G84 PolarHBondContact O-N 3.22Å; L81-R85 PolarHBondContact O-N 3.4Å
82L83.8Confident89.1Confident40 Ų4043.1 Ų43.121%0.20920%0.2CC..Hα-helixtrans-76.5-34.7-177.8-66.3170.3000111.8V58 G79 R80 G84 R85 F86V58-L82 HydrophobicContact CB-CD1 3.58Å; V58-L82 HydrophobicContact CG1-CD1 3.22Å; V58-L82 HydrophobicContact CG2-CD1 4.08Å; G79-L82 PolarHBondContact O-N 3.19Å; R80-L82 VanDerWaalsContact C-N 3.34Å; R80-L82 PolarHBondContact O-N 3.37Å; L82-G84 VanDerWaalsContact C-N 3.28Å; L82-G84 PolarHBondContact O-N 2.9Å; L82-R85 PolarHBondContact O-N 3.34Å; L82-F86 WeakPolarHBondContact O-CB 3.49Å; L82-F86 PolarHBondContact O-N 3.44Å
83C88.5Confident89Confident0 Ų043 Ų430%020%0.204CC..Hα-helixtrans-61.2-40.9169.8-168.20000111.1W11 F77 G79 R80 F86 L87 L136 I139W11-C83 HydrophobicContact CH2-CB 3.4Å; W11-C83 VanDerWaalsContact CH2-SG 3.59Å; W11-C83 HydrophobicContact CZ2-CB 4.41Å; W11-C83 HydrophobicContact CZ3-CB 3.54Å; F77-C83 HydrophobicContact CB-CB 4.17Å; F77-C83 HydrophobicContact CD1-CB 3.87Å; F77-C83 HydrophobicContact CG-CB 4.14Å; G79-C83 PolarHBondContact O-N 3.44Å; R80-C83 PolarHBondContact O-N 2.8Å; C83-F86 WeakPolarHBondContact O-CB 3.34Å; C83-F86 PolarHBondContact O-N 3.21Å; C83-L87 VanDerWaalsContact O-CG 3.3Å; C83-L87 WeakPolarHBondContact O-CG 3.39Å; C83-L87 PolarHBondContact O-N 2.79Å; C83-L136 HydrophobicContact CB-CD2 3.6Å; C83-I139 WeakPolarHBondContact SG-CD1 3.26Å
84G88.5Confident88.9Confident3 Ų345.3 Ų45.33%0.03122%0.223CC..Hα-helixtrans-58.9-4817300000113.1R80 L81 L82 F86 L87 Q88 E132R80-G84 PolarHBondContact O-N 2.94Å; L81-G84 PolarHBondContact O-N 3.22Å; L82-G84 VanDerWaalsContact C-N 3.28Å; L82-G84 PolarHBondContact O-N 2.9Å; G84-F86 VanDerWaalsContact C-N 3.33Å; G84-F86 PolarHBondContact O-N 2.87Å; G84-L87 PolarHBondContact O-N 2.77Å; G84-Q88 PolarHBondContact O-N 3.04Å; G84-E132 WeakPolarHBondContact CA-OE1 3.25Å
85R88.1Confident88.9Confident111 Ų11145 Ų4542%0.41922%0.222SC..Hα-helixtrans-59.3-42.4174.5-70.6-175.8-175.4178.70.5112.8L81 L82 Q88 A89L81-R85 PolarHBondContact O-N 3.4Å; L82-R85 PolarHBondContact O-N 3.34Å; R85-Q88 WeakPolarHBondContact O-CB 3.32Å; R85-Q88 PolarHBondContact O-N 3.36Å; R85-A89 WeakPolarHBondContact O-CB 3.29Å; R85-A89 PolarHBondContact O-N 2.86Å
86F90.1Very high89Confident1 Ų149.5 Ų49.50%0.00424%0.239CC..Hα-helixtrans-60.6-46.4175.2170.6-91000111.5L49 L59 L75 F77 L82 C83 G84 Q88 A89 Y90 L95 L118L49-F86 HydrophobicContact CD2-CE2 3.89Å; L59-F86 HydrophobicContact CD2-CD2 3.92Å; L59-F86 HydrophobicContact CD2-CE2 4.29Å; L75-F86 HydrophobicContact CD1-CE2 4.23Å; L75-F86 HydrophobicContact CD1-CZ 3.88Å; F77-F86 HydrophobicContact CE1-CB 3.96Å; F77-F86 AromaticContact CE1-CD1 3.55Å; F77-F86 HydrophobicContact CE1-CD1 3.55Å; F77-F86 HydrophobicContact CE1-CD2 4.15Å; F77-F86 HydrophobicContact CE1-CE1 4.06Å; F77-F86 AromaticContact CE1-CG 3.61Å; F77-F86 HydrophobicContact CE1-CG 3.61Å; F77-F86 AromaticContact CZ-CD1 3.69Å; F77-F86 HydrophobicContact CZ-CD1 3.69Å; F77-F86 AromaticContact CZ-CE1 3.73Å; F77-F86 HydrophobicContact CZ-CE1 3.73Å; F77-F86 HydrophobicContact CZ-CG 4.15Å; F77-F86 HydrophobicContact CZ-CZ 4.21Å; L82-F86 WeakPolarHBondContact O-CB 3.49Å; L82-F86 PolarHBondContact O-N 3.44Å; C83-F86 WeakPolarHBondContact O-CB 3.34Å; C83-F86 PolarHBondContact O-N 3.21Å; G84-F86 VanDerWaalsContact C-N 3.33Å; G84-F86 PolarHBondContact O-N 2.87Å; F86-Q88 VanDerWaalsContact C-N 3.28Å; F86-Q88 PolarHBondContact O-N 2.82Å; F86-A89 PolarHBondContact O-N 3.27Å; F86-Y90 VanDerWaalsContact O-CB 3.28Å; F86-Y90 WeakPolarHBondContact O-CB 3.19Å; F86-Y90 PolarHBondContact O-N 2.9Å; F86-L95 HydrophobicContact CD2-CD2 4.46Å; F86-L95 HydrophobicContact CE2-CD2 3.52Å; F86-L95 HydrophobicContact CZ-CD2 3.77Å; F86-L118 HydrophobicContact CE1-CD1 4.09Å; F86-L118 HydrophobicContact CE1-CD2 4.04Å; F86-L118 HydrophobicContact CZ-CD1 4.39Å
87L90.9Very high89.1Confident7 Ų750.3 Ų50.34%0.03725%0.251CS..Hα-helixtrans-61.6-38.8177.4-70.7171.2000111.4C83 G84 Y90 R91 L118 L129 E132 C135 L136 I139C83-L87 VanDerWaalsContact O-CG 3.3Å; C83-L87 WeakPolarHBondContact O-CG 3.39Å; C83-L87 PolarHBondContact O-N 2.79Å; G84-L87 PolarHBondContact O-N 2.77Å; L87-Y90 PolarHBondContact O-N 2.96Å; L87-R91 VanDerWaalsContact O-CB 3.31Å; L87-R91 WeakPolarHBondContact O-CB 3.15Å; L87-R91 PolarHBondContact O-N 3.46Å; L87-L118 HydrophobicContact CD2-CD2 3.63Å; L87-L129 HydrophobicContact CD2-CD2 4.49Å; L87-E132 HydrophobicContact CD1-CG 4.12Å; L87-C135 HydrophobicContact CD1-CB 3.67Å; L87-C135 HydrophobicContact CD2-CB 4.27Å; L87-L136 HydrophobicContact CD1-CD2 3.99Å; L87-L136 HydrophobicContact CD1-CG 4.11Å; L87-I139 HydrophobicContact CD1-CD1 4.4Å; L87-I139 HydrophobicContact CD2-CD1 4.24Å
88Q90.8Very high89.3Confident85 Ų8550.3 Ų50.340%0.39725%0.252SS..Hα-helixtrans-62.9-51.1173.9-175.4178.5-0.700111.6G84 R85 F86 Y90 R91 E92G84-Q88 PolarHBondContact O-N 3.04Å; R85-Q88 WeakPolarHBondContact O-CB 3.32Å; R85-Q88 PolarHBondContact O-N 3.36Å; F86-Q88 VanDerWaalsContact C-N 3.28Å; F86-Q88 PolarHBondContact O-N 2.82Å; Q88-Y90 VanDerWaalsContact C-N 3.26Å; Q88-Y90 PolarHBondContact O-N 3.38Å; Q88-R91 PolarHBondContact O-N 3.15Å; Q88-E92 HydrophobicContact CG-CG 4.43Å; Q88-E92 WeakPolarHBondContact CG-OE1 3.5Å; Q88-E92 PolarHBondContact NE2-OE1 2.9Å; Q88-E92 WeakPolarHBondContact O-CB 3.3Å; Q88-E92 WeakPolarHBondContact O-CG 3.44Å; Q88-E92 PolarHBondContact O-N 2.93Å
89A90.3Very high89.6Confident12 Ų1249.4 Ų49.410%0.09925%0.247CC..Hα-helixtrans-62.4-33.417800000112.6R85 F86 G93 A94 L95R85-A89 WeakPolarHBondContact O-CB 3.29Å; R85-A89 PolarHBondContact O-N 2.86Å; F86-A89 PolarHBondContact O-N 3.27Å; A89-G93 PolarHBondContact O-N 3.27Å; A89-A94 HydrophobicContact CB-CB 4.32Å; A89-A94 PolarHBondContact O-N 3.21Å; A89-L95 PolarHBondContact O-N 3.02Å; A89-L95 VanDerWaalsContact O-N 3.15Å
90Y91.4Very high90Very high17 Ų1750.4 Ų50.47%0.06724%0.244CC..Hα-helixtrans-65.4-51.1173.1-176.4-94000111.2L17 F86 L87 Q88 E92 G93 L95 L116 E117 L118 D126 L129L17-Y90 HydrophobicContact CD1-CD2 4.38Å; L17-Y90 HydrophobicContact CD1-CE2 3.72Å; F86-Y90 VanDerWaalsContact O-CB 3.28Å; F86-Y90 WeakPolarHBondContact O-CB 3.19Å; F86-Y90 PolarHBondContact O-N 2.9Å; L87-Y90 PolarHBondContact O-N 2.96Å; Q88-Y90 VanDerWaalsContact C-N 3.26Å; Q88-Y90 PolarHBondContact O-N 3.38Å; Y90-E92 PolarHBondContact O-N 3.48Å; Y90-G93 PolarHBondContact O-N 3.44Å; Y90-G93 VanDerWaalsContact O-N 3.13Å; Y90-L95 HydrophobicContact CD2-CD2 3.82Å; Y90-L116 HydrophobicContact CD2-CD1 4.42Å; Y90-L116 HydrophobicContact CE2-CB 3.78Å; Y90-L116 HydrophobicContact CE2-CD1 3.96Å; Y90-L116 VanDerWaalsContact OH-C 3.28Å; Y90-L116 PolarHBondContact OH-O 3.49Å; Y90-E117 WeakPolarHBondContact OH-CA 3.37Å; Y90-E117 PolarHBondContact OH-N 3.05Å; Y90-L118 HydrophobicContact CE1-CB 4.08Å; Y90-L118 HydrophobicContact CE2-CB 4.25Å; Y90-L118 PolarHBondContact OH-N 2.92Å; Y90-D126 WeakPolarHBondContact CE1-OD1 3.23Å; Y90-D126 VanDerWaalsContact CZ-OD1 3.3Å; Y90-D126 PolarHBondContact OH-OD1 3.38Å; Y90-L129 HydrophobicContact CD1-CD1 3.89Å; Y90-L129 HydrophobicContact CD1-CD2 3.79Å; Y90-L129 HydrophobicContact CE1-CD1 3.85Å; Y90-L129 HydrophobicContact CE1-CD2 4.16Å
91R91.5Very high90.3Very high124 Ų12450.9 Ų50.947%0.46825%0.245SC..Hα-helixtrans-62.3-40.7-180-176.1-175.871.6178.60.3112.6L87 Q88 G93 L129L87-R91 VanDerWaalsContact O-CB 3.31Å; L87-R91 WeakPolarHBondContact O-CB 3.15Å; L87-R91 PolarHBondContact O-N 3.46Å; Q88-R91 PolarHBondContact O-N 3.15Å; R91-G93 PolarHBondContact O-N 3.44Å; R91-L129 HydrophobicContact CB-CB 4.5Å; R91-L129 HydrophobicContact CB-CD1 4.48Å; R91-L129 WeakPolarHBondContact CD-O 3.27Å; R91-L129 HydrophobicContact CG-CB 4.23Å
92E90.9Very high90.5Very high117 Ų11745.6 Ų45.655%0.54722%0.218SC..THydrogen-bonded Turntrans-75.8-7.2179.5-69.3172.4-171.800112.7Q88 Y90 A94Q88-E92 HydrophobicContact CG-CG 4.43Å; Q88-E92 WeakPolarHBondContact CG-OE1 3.5Å; Q88-E92 PolarHBondContact NE2-OE1 2.9Å; Q88-E92 WeakPolarHBondContact O-CB 3.3Å; Q88-E92 WeakPolarHBondContact O-CG 3.44Å; Q88-E92 PolarHBondContact O-N 2.93Å; Y90-E92 PolarHBondContact O-N 3.48Å; E92-A94 PolarHBondContact O-N 3.04Å
93G90Very high90.8Very high19 Ų1943.8 Ų43.820%0.19621%0.209CC..THydrogen-bonded Turntrans77.26.2-179.700000114.2A89 Y90 R91 R96 T97A89-G93 PolarHBondContact O-N 3.27Å; Y90-G93 PolarHBondContact O-N 3.44Å; Y90-G93 VanDerWaalsContact O-N 3.13Å; R91-G93 PolarHBondContact O-N 3.44Å; G93-R96 PolarHBondContact O-N 3.45Å; G93-T97 PolarHBondContact O-N 3.09Å; G93-T97 PolarHBondContact O-OG1 2.92Å
94A91Very high90.9Very high48 Ų4844.3 Ų44.340%0.39721%0.213SC..Hα-helixtrans-61.1-46.9175.800000110.9A89 E92 R96 T97 A98A89-A94 HydrophobicContact CB-CB 4.32Å; A89-A94 PolarHBondContact O-N 3.21Å; E92-A94 PolarHBondContact O-N 3.04Å; A94-R96 VanDerWaalsContact C-N 3.32Å; A94-R96 PolarHBondContact O-N 3.19Å; A94-T97 PolarHBondContact O-N 3.32Å; A94-A98 PolarHBondContact O-N 3.49Å
95L90.8Very high90.8Very high0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-60.4-42.9176.8-179.667.9000111.5L17 L49 S52 F86 A89 Y90 T97 A98 L99L17-L95 HydrophobicContact CD2-CD2 4.27Å; L49-L95 HydrophobicContact CD2-CD1 3.88Å; L49-L95 HydrophobicContact CD2-CD2 4.49Å; S52-L95 VanDerWaalsContact OG-CD1 3.28Å; S52-L95 WeakPolarHBondContact OG-CD1 3.47Å; F86-L95 HydrophobicContact CD2-CD2 4.46Å; F86-L95 HydrophobicContact CE2-CD2 3.52Å; F86-L95 HydrophobicContact CZ-CD2 3.77Å; A89-L95 PolarHBondContact O-N 3.02Å; A89-L95 VanDerWaalsContact O-N 3.15Å; Y90-L95 HydrophobicContact CD2-CD2 3.82Å; L95-T97 PolarHBondContact O-N 3.45Å; L95-A98 PolarHBondContact O-N 3.03Å; L95-L99 HydrophobicContact CD1-CD1 4.17Å; L95-L99 HydrophobicContact CD1-CG 4.32Å; L95-L99 HydrophobicContact CD2-CD1 4.32Å; L95-L99 HydrophobicContact CG-CD1 3.86Å; L95-L99 HydrophobicContact CG-CG 4.42Å; L95-L99 WeakPolarHBondContact O-CB 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.48Å; L95-L99 PolarHBondContact O-N 2.9Å
96R92.6Very high90.8Very high95 Ų9544.5 Ų44.536%0.35823%0.232SC..Hα-helixtrans-60-47.2177.6-173.2-172.9-65.7-128.35.4111.1G93 A94 L99 Q100 L114 L116G93-R96 PolarHBondContact O-N 3.45Å; A94-R96 VanDerWaalsContact C-N 3.32Å; A94-R96 PolarHBondContact O-N 3.19Å; R96-L99 PolarHBondContact O-N 2.99Å; R96-Q100 HydrophobicContact CG-CG 4.47Å; R96-Q100 WeakPolarHBondContact O-CB 3.5Å; R96-Q100 VanDerWaalsContact O-CG 3.25Å; R96-Q100 WeakPolarHBondContact O-CG 3.43Å; R96-Q100 PolarHBondContact O-N 3.45Å; R96-L114 PolarHBondContact NH1-O 3.26Å; R96-L116 HydrophobicContact CB-CD1 3.74Å; R96-L116 HydrophobicContact CB-CG 4.47Å; R96-L116 HydrophobicContact CG-CD1 4.11Å; R96-L116 HydrophobicContact CG-CG 4.31Å
97T92.5Very high90.7Very high88 Ų8845.5 Ų45.554%0.5424%0.237SC..Hα-helixtrans-63.4-43.9-179.6-53.40000111.4G93 A94 L95 Q100 R101G93-T97 PolarHBondContact O-N 3.09Å; G93-T97 PolarHBondContact O-OG1 2.92Å; A94-T97 PolarHBondContact O-N 3.32Å; L95-T97 PolarHBondContact O-N 3.45Å; T97-Q100 PolarHBondContact O-N 2.96Å; T97-R101 PolarHBondContact O-N 2.86Å; T97-R101 VanDerWaalsContact O-N 3.08Å
98A90.8Very high90.5Very high5 Ų549.5 Ų49.54%0.04127%0.272CS..Hα-helixtrans-61.5-46.9175.800000111.5A48 A94 L95 Q100 R101 C102A48-A98 HydrophobicContact CB-CB 4.01Å; A94-A98 PolarHBondContact O-N 3.49Å; L95-A98 PolarHBondContact O-N 3.03Å; A98-Q100 PolarHBondContact O-N 3.45Å; A98-R101 PolarHBondContact O-N 2.99Å; A98-C102 WeakPolarHBondContact O-CB 3.44Å; A98-C102 PolarHBondContact O-N 3.31Å; A98-C102 PolarHBondContact O-SG 3.48Å; A98-C102 VanDerWaalsContact O-SG 3.36Å
99L91.9Very high90.3Very high0 Ų049.9 Ų49.90%027%0.273CS..Hα-helixtrans-60.6-44.8176.4-79168.7000112L17 L19 L45 A48 L95 R96 R101 C102 M103 L114 L116L17-L99 HydrophobicContact CD2-CD1 4.35Å; L19-L99 HydrophobicContact CD2-CD1 3.91Å; L19-L99 HydrophobicContact CD2-CD2 4.08Å; L45-L99 HydrophobicContact CD2-CD2 3.76Å; A48-L99 HydrophobicContact CB-CB 4.43Å; A48-L99 HydrophobicContact CB-CD2 3.6Å; A48-L99 HydrophobicContact CB-CG 3.78Å; L95-L99 HydrophobicContact CD1-CD1 4.17Å; L95-L99 HydrophobicContact CD1-CG 4.32Å; L95-L99 HydrophobicContact CD2-CD1 4.32Å; L95-L99 HydrophobicContact CG-CD1 3.86Å; L95-L99 HydrophobicContact CG-CG 4.42Å; L95-L99 WeakPolarHBondContact O-CB 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.48Å; L95-L99 PolarHBondContact O-N 2.9Å; R96-L99 PolarHBondContact O-N 2.99Å; L99-R101 PolarHBondContact O-N 3.43Å; L99-C102 PolarHBondContact O-N 3.28Å; L99-M103 HydrophobicContact CD2-CE 4.49Å; L99-M103 WeakPolarHBondContact O-CB 3.35Å; L99-M103 WeakPolarHBondContact O-CG 3.49Å; L99-M103 PolarHBondContact O-N 3.3Å; L99-L114 HydrophobicContact CB-CD1 3.88Å; L99-L116 HydrophobicContact CD1-CD1 3.91Å; L99-L116 HydrophobicContact CD1-CD2 3.83Å
100Q93.2Very high90.1Very high49 Ų4958.8 Ų58.823%0.22931%0.313CS..Hα-helixtrans-60.3-45178.5-73.4178.1-75.200112R96 T97 A98 A104 V112 L114R96-Q100 HydrophobicContact CG-CG 4.47Å; R96-Q100 WeakPolarHBondContact O-CB 3.5Å; R96-Q100 VanDerWaalsContact O-CG 3.25Å; R96-Q100 WeakPolarHBondContact O-CG 3.43Å; R96-Q100 PolarHBondContact O-N 3.45Å; T97-Q100 PolarHBondContact O-N 2.96Å; A98-Q100 PolarHBondContact O-N 3.45Å; Q100-A104 VanDerWaalsContact O-CB 3.27Å; Q100-A104 WeakPolarHBondContact O-CB 3.39Å; Q100-A104 PolarHBondContact O-N 2.92Å; Q100-V112 WeakPolarHBondContact CG-O 3.47Å; Q100-V112 PolarHBondContact NE2-O 3.05Å; Q100-L114 HydrophobicContact CB-CD1 4.5Å; Q100-L114 HydrophobicContact CG-CB 3.9Å; Q100-L114 HydrophobicContact CG-CD1 3.89Å; Q100-L114 HydrophobicContact CG-CG 3.85Å
101R92.4Very high89.8Confident124 Ų12461.3 Ų61.347%0.46834%0.337SS..Hα-helixtrans-63.2-47.7177.2176.5178.451.6713.5111.8E51 T97 A98 L99 S105E51-R101 IonicContact OE1-CZ 2.71Å; E51-R101 IonicContact OE1-NH2 3.66Å; E51-R101 PolarHBondContact OE1-NH2 3.04Å; E51-R101 IonicContact OE2-CZ 3.72Å; E51-R101 IonicContact OE2-NH1 3.31Å; E51-R101 IonicContact OE2-NH2 3.37Å; E51-R101 PolarHBondContact OE2-NH2 3.39Å; T97-R101 PolarHBondContact O-N 2.86Å; T97-R101 VanDerWaalsContact O-N 3.08Å; A98-R101 PolarHBondContact O-N 2.99Å; L99-R101 PolarHBondContact O-N 3.43Å; R101-S105 PolarHBondContact O-N 2.88Å
102C90.1Very high89.7Confident12 Ų1255.7 Ų55.78%0.08132%0.317CS..Hα-helixtrans-67.2-40.7-179.6-710000111.9A44 A48 A98 L99 S105 A106A44-C102 HydrophobicContact CB-CB 3.73Å; A44-C102 WeakPolarHBondContact CB-O 3.5Å; A48-C102 HydrophobicContact CB-CB 4.42Å; A98-C102 WeakPolarHBondContact O-CB 3.44Å; A98-C102 PolarHBondContact O-N 3.31Å; A98-C102 PolarHBondContact O-SG 3.48Å; A98-C102 VanDerWaalsContact O-SG 3.36Å; L99-C102 PolarHBondContact O-N 3.28Å; C102-S105 PolarHBondContact O-N 3.17Å; C102-A106 PolarHBondContact O-N 3.26Å
103M90.2Very high89.7Confident3 Ų358.2 Ų58.22%0.01532%0.321CS..Hα-helixtrans-67.7-39.2177.2-72.2-60.2133.200112.5I41 A44 L45 L99 S105 A106 L107 L114I41-M103 HydrophobicContact CG2-CE 4.15Å; I41-M103 HydrophobicContact CG2-SD 4.06Å; I41-M103 WeakPolarHBondContact O-CE 3.41Å; A44-M103 HydrophobicContact CB-CE 3.37Å; A44-M103 HydrophobicContact CB-SD 4.3Å; L45-M103 HydrophobicContact CB-CE 4.46Å; L45-M103 HydrophobicContact CD2-CE 3.8Å; L45-M103 HydrophobicContact CG-CE 3.67Å; L99-M103 HydrophobicContact CD2-CE 4.49Å; L99-M103 WeakPolarHBondContact O-CB 3.35Å; L99-M103 WeakPolarHBondContact O-CG 3.49Å; L99-M103 PolarHBondContact O-N 3.3Å; M103-S105 VanDerWaalsContact C-N 3.3Å; M103-S105 PolarHBondContact O-N 3.38Å; M103-A106 PolarHBondContact O-N 3.2Å; M103-L107 HydrophobicContact CB-CD1 4.43Å; M103-L107 VanDerWaalsContact O-CB 3.32Å; M103-L107 WeakPolarHBondContact O-CB 3.47Å; M103-L107 VanDerWaalsContact O-CG 3.3Å; M103-L107 WeakPolarHBondContact O-CG 3.43Å; M103-L107 PolarHBondContact O-N 3.29Å; M103-L114 HydrophobicContact CB-CD1 4.23Å; M103-L114 HydrophobicContact CG-CD1 3.87Å
104A90Very high89.7Confident10 Ų1057.5 Ų57.58%0.08331%0.313CS..Hα-helixtrans-56.9-45.8175.600000111.4Q100 L107 A108 Q109 V112Q100-A104 VanDerWaalsContact O-CB 3.27Å; Q100-A104 WeakPolarHBondContact O-CB 3.39Å; Q100-A104 PolarHBondContact O-N 2.92Å; A104-L107 PolarHBondContact O-N 3.3Å; A104-A108 PolarHBondContact O-N 3.4Å; A104-A108 VanDerWaalsContact O-N 3.11Å; A104-Q109 CarbonylContact C-O 3.52Å; A104-Q109 PolarHBondContact O-N 2.99Å; A104-V112 HydrophobicContact CB-CG2 4.08Å
105S88.2Confident89.8Confident101 Ų10158.4 Ų58.471%0.70631%0.309SS*.Hα-helixtrans-62.5-47.8174.4-176.50000112.5R101 C102 M103 L107 A108R101-S105 PolarHBondContact O-N 2.88Å; C102-S105 PolarHBondContact O-N 3.17Å; M103-S105 VanDerWaalsContact C-N 3.3Å; M103-S105 PolarHBondContact O-N 3.38Å; S105-L107 VanDerWaalsContact C-N 3.28Å; S105-L107 PolarHBondContact O-N 3.12Å; S105-A108 PolarHBondContact O-N 2.88Å
106A87.8Confident89.9Confident18 Ų1858.7 Ų58.715%0.14931%0.31CS..Hα-helixtrans-63.9-31.4-17900000113.8S40 I41 A44 C102 M103S40-A106 WeakPolarHBondContact O-CB 3.4Å; I41-A106 HydrophobicContact CG1-CB 4.43Å; A44-A106 HydrophobicContact CB-CB 3.88Å; C102-A106 PolarHBondContact O-N 3.26Å; M103-A106 PolarHBondContact O-N 3.2Å
107L87.1Confident90Very high21 Ų2155.6 Ų55.611%0.1130%0.3CS..THydrogen-bonded Turntrans-95.72.8-179.1-62.9169.7000113.1V26 L28 A31 I41 M103 A104 S105 Q109 V112V26-L107 HydrophobicContact CG1-CD1 3.69Å; L28-L107 HydrophobicContact CD2-CD1 3.96Å; A31-L107 HydrophobicContact CB-CD2 3.75Å; I41-L107 HydrophobicContact CD1-CD2 4.06Å; I41-L107 HydrophobicContact CG1-CD2 4.26Å; M103-L107 HydrophobicContact CB-CD1 4.43Å; M103-L107 VanDerWaalsContact O-CB 3.32Å; M103-L107 WeakPolarHBondContact O-CB 3.47Å; M103-L107 VanDerWaalsContact O-CG 3.3Å; M103-L107 WeakPolarHBondContact O-CG 3.43Å; M103-L107 PolarHBondContact O-N 3.29Å; A104-L107 PolarHBondContact O-N 3.3Å; S105-L107 VanDerWaalsContact C-N 3.28Å; S105-L107 PolarHBondContact O-N 3.12Å; L107-Q109 HydrophobicContact CB-CG 3.9Å; L107-Q109 PolarHBondContact O-N 2.99Å; L107-Q109 PolarHBondContact O-NE2 3.3Å; L107-V112 HydrophobicContact CD1-CG2 4.24Å
108A87Confident90Very high92 Ų9251.4 Ų51.476%0.7627%0.274SS*.THydrogen-bonded Turntrans5041.4-172.900000112.8A104 S105A104-A108 PolarHBondContact O-N 3.4Å; A104-A108 VanDerWaalsContact O-N 3.11Å; S105-A108 PolarHBondContact O-N 2.88Å
109Q87.3Confident90.1Very high92 Ų9255.1 Ų55.143%0.4329%0.287SS..  trans-106.3149.2176.2-62.1-58.4-52.300110.2V26 A104 L107 V112V26-Q109 HydrophobicContact CG2-CG 4.41Å; A104-Q109 CarbonylContact C-O 3.52Å; A104-Q109 PolarHBondContact O-N 2.99Å; L107-Q109 HydrophobicContact CB-CG 3.9Å; L107-Q109 PolarHBondContact O-N 2.99Å; L107-Q109 PolarHBondContact O-NE2 3.3Å; Q109-V112 HydrophobicContact CB-CG2 3.86Å; Q109-V112 HydrophobicContact CG-CG2 4.23Å
110E84.7Confident90Very high200 Ų20055.1 Ų55.194%0.93529%0.287SS*.SBendtrans-67.6-38176.2-170.8176.1-176.600111.7
111A86.1Confident89.6Confident69 Ų6954.4 Ų54.457%0.5729%0.293SS*.  trans-154.1147.917400000111
112V88.5Confident89.1Confident6 Ų653.4 Ų53.44%0.03631%0.312CS..  trans-126.9134.1175.6-1790000109.3Q100 A104 L107 Q109 L114Q100-V112 WeakPolarHBondContact CG-O 3.47Å; Q100-V112 PolarHBondContact NE2-O 3.05Å; A104-V112 HydrophobicContact CB-CG2 4.08Å; L107-V112 HydrophobicContact CD1-CG2 4.24Å; Q109-V112 HydrophobicContact CB-CG2 3.86Å; Q109-V112 HydrophobicContact CG-CG2 4.23Å; V112-L114 HydrophobicContact CG1-CD2 3.66Å; V112-L114 HydrophobicContact CG1-CG 3.99Å
113R90.8Very high89Confident171 Ų17156.5 Ų56.565%0.64533%0.325SS*.  trans-98.7117.3173.1-71.1-175-178.2150.41.6109.4L22L22-R113 HydrophobicContact CB-CB 4.05Å; L22-R113 HydrophobicContact CD1-CB 4.47Å; L22-R113 PolarHBondContact N-O 2.88Å
114L91.5Very high89.1Confident3 Ų359.8 Ų59.82%0.01634%0.34CS..EExtended strand (participates in β ladder)trans-111.5133.5-178.6-62175.8000110.9E20 L28 R96 L99 Q100 M103 V112E20-L114 CarbonylContact O-C 3.59Å; E20-L114 WeakPolarHBondContact O-CA 3.23Å; L28-L114 HydrophobicContact CD1-CD2 3.9Å; R96-L114 PolarHBondContact NH1-O 3.26Å; L99-L114 HydrophobicContact CB-CD1 3.88Å; Q100-L114 HydrophobicContact CB-CD1 4.5Å; Q100-L114 HydrophobicContact CG-CB 3.9Å; Q100-L114 HydrophobicContact CG-CD1 3.89Å; Q100-L114 HydrophobicContact CG-CG 3.85Å; M103-L114 HydrophobicContact CB-CD1 4.23Å; M103-L114 HydrophobicContact CG-CD1 3.87Å; V112-L114 HydrophobicContact CG1-CD2 3.66Å; V112-L114 HydrophobicContact CG1-CG 3.99Å
115Q92.6Very high89.1Confident67 Ų6759.3 Ų59.331%0.31334%0.336SS..EExtended strand (participates in β ladder)trans-96133.9160.4176.7165.5-20.800108.3E20 L22 E117E20-Q115 HydrophobicContact CB-CB 4.37Å; E20-Q115 PolarHBondContact N-O 3.47Å; E20-Q115 PolarHBondContact O-N 2.97Å; L22-Q115 HydrophobicContact CD1-CB 4.44Å; L22-Q115 HydrophobicContact CD2-CB 4.17Å; L22-Q115 HydrophobicContact CG-CB 4.26Å; Q115-E117 PolarHBondContact NE2-OE1 2.68Å; Q115-E117 VanDerWaalsContact NE2-OE1 3.14Å
116L93.2Very high89.1Confident6 Ų656.5 Ų56.53%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-116.8141.2175.8-55.6-178.5000108.5L17 F18 L19 Y90 R96 L99L17-L116 HydrophobicContact CD1-CB 4.31Å; F18-L116 VanDerWaalsContact O-CA 3.29Å; F18-L116 WeakPolarHBondContact O-CA 3.46Å; L19-L116 HydrophobicContact CB-CD2 4.34Å; L19-L116 HydrophobicContact CD2-CD2 3.96Å; L19-L116 HydrophobicContact CG-CD2 3.75Å; Y90-L116 HydrophobicContact CD2-CD1 4.42Å; Y90-L116 HydrophobicContact CE2-CB 3.78Å; Y90-L116 HydrophobicContact CE2-CD1 3.96Å; Y90-L116 VanDerWaalsContact OH-C 3.28Å; Y90-L116 PolarHBondContact OH-O 3.49Å; R96-L116 HydrophobicContact CB-CD1 3.74Å; R96-L116 HydrophobicContact CB-CG 4.47Å; R96-L116 HydrophobicContact CG-CD1 4.11Å; R96-L116 HydrophobicContact CG-CG 4.31Å; L99-L116 HydrophobicContact CD1-CD1 3.91Å; L99-L116 HydrophobicContact CD1-CD2 3.83Å
117E93.6Very high89.1Confident30 Ų3059.8 Ų59.814%0.1433%0.331CS..EExtended strand (participates in β ladder)trans-133.7139167.2-51.7-177.5174.600109.4F18 Y90 Q115 R119 D126F18-E117 HydrophobicContact CB-CB 4.09Å; F18-E117 PolarHBondContact N-O 3.12Å; F18-E117 PolarHBondContact O-N 3.22Å; Y90-E117 WeakPolarHBondContact OH-CA 3.37Å; Y90-E117 PolarHBondContact OH-N 3.05Å; Q115-E117 PolarHBondContact NE2-OE1 2.68Å; Q115-E117 VanDerWaalsContact NE2-OE1 3.14Å; E117-R119 IonicContact OE2-CZ 3.93Å; E117-R119 IonicContact OE2-NE 2.88Å; E117-R119 IonicContact OE2-NH2 2.78Å; E117-R119 PolarHBondContact OE2-NH2 2.72Å; E117-D126 WeakPolarHBondContact CA-OD2 3.49Å
118L93.4Very high89.1Confident0 Ų062.5 Ų62.50%034%0.34CS..EExtended strand (participates in β ladder)trans-115.1124.9-178.5-171.671.2000109.7A15 L17 F86 L87 Y90 L125 D126A15-L118 HydrophobicContact CB-CD1 4.16Å; L17-L118 HydrophobicContact CB-CD1 4.37Å; L17-L118 HydrophobicContact CD1-CD1 4.23Å; F86-L118 HydrophobicContact CE1-CD1 4.09Å; F86-L118 HydrophobicContact CE1-CD2 4.04Å; F86-L118 HydrophobicContact CZ-CD1 4.39Å; L87-L118 HydrophobicContact CD2-CD2 3.63Å; Y90-L118 HydrophobicContact CE1-CB 4.08Å; Y90-L118 HydrophobicContact CE2-CB 4.25Å; Y90-L118 PolarHBondContact OH-N 2.92Å; L118-L125 HydrophobicContact CB-CB 4.32Å; L118-L125 HydrophobicContact CD2-CB 4.1Å; L118-L125 HydrophobicContact CD2-CD1 3.82Å; L118-L125 HydrophobicContact CG-CB 4.21Å; L118-L125 HydrophobicContact CG-CD1 3.99Å; L118-L125 WeakPolarHBondContact O-CB 3.49Å; L118-L125 PolarHBondContact O-N 2.85Å; L118-D126 PolarHBondContact N-OD2 3.31Å
119R92.7Very high89.1Confident83 Ų8359.6 Ų59.631%0.31331%0.312SS..EExtended strand (participates in β ladder)trans-129.9144.7-179.4-51.3-170.6-174.9-178.60.9111.9A15 Y16 F18 E117 E123 Q124A15-R119 CarbonylContact C-O 3.46Å; A15-R119 WeakPolarHBondContact CA-O 3.39Å; Y16-R119 PolarHBondContact N-O 3.29Å; Y16-R119 PolarHBondContact O-N 3.42Å; F18-R119 HydrophobicContact CD2-CG 3.98Å; F18-R119 HydrophobicContact CE2-CB 3.88Å; F18-R119 VanDerWaalsContact CE2-CD 3.48Å; F18-R119 HydrophobicContact CE2-CG 3.62Å; F18-R119 HydrophobicContact CZ-CG 4.47Å; E117-R119 IonicContact OE2-CZ 3.93Å; E117-R119 IonicContact OE2-NE 2.88Å; E117-R119 IonicContact OE2-NH2 2.78Å; E117-R119 PolarHBondContact OE2-NH2 2.72Å; R119-E123 CarbonylContact C-O 3.44Å; R119-E123 VanDerWaalsContact CA-O 3.24Å; R119-E123 WeakPolarHBondContact CA-O 3.4Å; R119-Q124 HydrophobicContact CG-CG 4.49Å
120A90.1Very high89.1Confident0 Ų061.4 Ų61.40%033%0.329CS..EExtended strand (participates in β ladder)trans-125.5104170.600000108.8A122 E123 L125 I139 Q142A120-A122 PolarHBondContact O-N 2.85Å; A120-E123 PolarHBondContact N-O 2.92Å; A120-E123 PolarHBondContact O-N 3.07Å; A120-L125 HydrophobicContact CB-CD1 3.93Å; A120-L125 HydrophobicContact CB-CD2 4.15Å; A120-L125 HydrophobicContact CB-CG 4.16Å; A120-I139 HydrophobicContact CB-CG1 4.18Å; A120-Q142 HydrophobicContact CB-CG 3.99Å
121G83.6Confident89.4Confident34 Ų3455.2 Ų55.235%0.35130%0.303SS..THydrogen-bonded Turntrans64-124.4-170.400000111.2E123G121-E123 VanDerWaalsContact C-N 3.35Å
122A82.8Confident89.5Confident104 Ų10455.7 Ų55.786%0.8629%0.293SS*.THydrogen-bonded Turntrans-83.2-10.3177.800000113.8A120A120-A122 PolarHBondContact O-N 2.85Å
123E88.1Confident89.5Confident76 Ų7661.3 Ų61.336%0.35532%0.319SS..EExtended strand (participates in β ladder)trans-93.7131.5-170.7-61.4-70.4170.100111.3R119 A120 G121 Y138R119-E123 CarbonylContact C-O 3.44Å; R119-E123 VanDerWaalsContact CA-O 3.24Å; R119-E123 WeakPolarHBondContact CA-O 3.4Å; A120-E123 PolarHBondContact N-O 2.92Å; A120-E123 PolarHBondContact O-N 3.07Å; G121-E123 VanDerWaalsContact C-N 3.35Å; E123-Y138 HydrophobicContact CB-CD1 4.35Å; E123-Y138 HydrophobicContact CB-CE1 4.44Å; E123-Y138 HydrophobicContact CB-CG 4.47Å; E123-Y138 HydrophobicContact CG-CD1 3.86Å; E123-Y138 HydrophobicContact CG-CE1 3.65Å; E123-Y138 HydrophobicContact CG-CG 4.45Å
124Q91.7Very high89.5Confident73 Ų7357.2 Ų57.234%0.34130%0.304SS..EExtended strand (participates in β ladder)trans-89.7107.7173.2-174176.9-400110.2R119 D126 T127R119-Q124 HydrophobicContact CG-CG 4.49Å; Q124-D126 VanDerWaalsContact C-N 3.26Å; Q124-D126 HydrophobicContact CG-CB 4.1Å; Q124-D126 WeakPolarHBondContact CG-OD2 3.37Å; Q124-D126 PolarHBondContact NE2-OD2 3.47Å; Q124-D126 VanDerWaalsContact NE2-OD2 3.16Å; Q124-D126 PolarHBondContact O-N 3.26Å; Q124-T127 PolarHBondContact O-N 3.21Å; Q124-T127 PolarHBondContact O-OG1 3.49Å
125L89.9Confident89.4Confident0 Ų057.1 Ų57.10%030%0.303CS..G310 helixtrans-69.9-21.4-175-59.6-172.2000113L118 A120 T127 W128 L129 Y138 I139L118-L125 HydrophobicContact CB-CB 4.32Å; L118-L125 HydrophobicContact CD2-CB 4.1Å; L118-L125 HydrophobicContact CD2-CD1 3.82Å; L118-L125 HydrophobicContact CG-CB 4.21Å; L118-L125 HydrophobicContact CG-CD1 3.99Å; L118-L125 WeakPolarHBondContact O-CB 3.49Å; L118-L125 PolarHBondContact O-N 2.85Å; A120-L125 HydrophobicContact CB-CD1 3.93Å; A120-L125 HydrophobicContact CB-CD2 4.15Å; A120-L125 HydrophobicContact CB-CG 4.16Å; L125-T127 PolarHBondContact O-N 2.99Å; L125-T127 VanDerWaalsContact O-N 3.12Å; L125-W128 CarbonylContact O-C 3.56Å; L125-W128 PolarHBondContact O-N 3.23Å; L125-L129 WeakPolarHBondContact O-CG 3.32Å; L125-L129 PolarHBondContact O-N 2.97Å; L125-Y138 HydrophobicContact CD2-CD2 3.95Å; L125-Y138 HydrophobicContact CD2-CG 4.27Å; L125-I139 HydrophobicContact CD1-CD1 3.71Å; L125-I139 HydrophobicContact CD1-CG1 3.62Å
126D89.3Confident89.3Confident41 Ų4154.1 Ų54.122%0.21929%0.289CS..G310 helixtrans-54.1-32.4176.5-58.8-76.6000112.8Y90 E117 L118 Q124 W128Y90-D126 WeakPolarHBondContact CE1-OD1 3.23Å; Y90-D126 VanDerWaalsContact CZ-OD1 3.3Å; Y90-D126 PolarHBondContact OH-OD1 3.38Å; E117-D126 WeakPolarHBondContact CA-OD2 3.49Å; L118-D126 PolarHBondContact N-OD2 3.31Å; Q124-D126 VanDerWaalsContact C-N 3.26Å; Q124-D126 HydrophobicContact CG-CB 4.1Å; Q124-D126 WeakPolarHBondContact CG-OD2 3.37Å; Q124-D126 PolarHBondContact NE2-OD2 3.47Å; Q124-D126 VanDerWaalsContact NE2-OD2 3.16Å; Q124-D126 PolarHBondContact O-N 3.26Å; D126-W128 VanDerWaalsContact C-N 3.3Å; D126-W128 PolarHBondContact O-N 2.79Å
127T88.2Confident89.2Confident87 Ų8758 Ų5853%0.53431%0.31SS..G310 helixtrans-76.7-17.5179.463.10000113.5Q124 L125Q124-T127 PolarHBondContact O-N 3.21Å; Q124-T127 PolarHBondContact O-OG1 3.49Å; L125-T127 PolarHBondContact O-N 2.99Å; L125-T127 VanDerWaalsContact O-N 3.12Å
128W87.2Confident89Confident78 Ų7859 Ų5930%0.29531%0.313SS..G310 helixtrans-115.29.6-174.1-54.9111000113.1L125 D126 T130 D131 R134 C135L125-W128 CarbonylContact O-C 3.56Å; L125-W128 PolarHBondContact O-N 3.23Å; D126-W128 VanDerWaalsContact C-N 3.3Å; D126-W128 PolarHBondContact O-N 2.79Å; W128-T130 PolarHBondContact O-N 2.87Å; W128-D131 CarbonylContact O-C 3.59Å; W128-D131 WeakPolarHBondContact O-CA 3.36Å; W128-D131 PolarHBondContact O-N 3.48Å; W128-D131 VanDerWaalsContact O-O 3.11Å; W128-R134 VanDerWaalsContact CH2-NH1 3.29Å; W128-C135 PolarHBondContact O-SG 3.4Å; W128-C135 VanDerWaalsContact O-SG 3.4Å
129L86.1Confident88.9Confident31 Ų3159 Ų5916%0.16231%0.313CS..THydrogen-bonded Turntrans-59.6-17.9-176.9-65.1174.5000114.9L87 Y90 R91 L125 D131L87-L129 HydrophobicContact CD2-CD2 4.49Å; Y90-L129 HydrophobicContact CD1-CD1 3.89Å; Y90-L129 HydrophobicContact CD1-CD2 3.79Å; Y90-L129 HydrophobicContact CE1-CD1 3.85Å; Y90-L129 HydrophobicContact CE1-CD2 4.16Å; R91-L129 HydrophobicContact CB-CB 4.5Å; R91-L129 HydrophobicContact CB-CD1 4.48Å; R91-L129 WeakPolarHBondContact CD-O 3.27Å; R91-L129 HydrophobicContact CG-CB 4.23Å; L125-L129 WeakPolarHBondContact O-CG 3.32Å; L125-L129 PolarHBondContact O-N 2.97Å; L129-D131 VanDerWaalsContact C-N 3.33Å
130T87.4Confident88.7Confident130 Ų13058.2 Ų58.280%0.79831%0.314SS*.THydrogen-bonded Turntrans-75.3-24.3172.451.20000112.8W128W128-T130 PolarHBondContact O-N 2.87Å
131D89.9Confident88.6Confident70 Ų7061.6 Ų61.637%0.37434%0.342SS..  trans-111.184.7178.9-173.6-12000109.6W128 L129 E133 R134 C135W128-D131 CarbonylContact O-C 3.59Å; W128-D131 WeakPolarHBondContact O-CA 3.36Å; W128-D131 PolarHBondContact O-N 3.48Å; W128-D131 VanDerWaalsContact O-O 3.11Å; L129-D131 VanDerWaalsContact C-N 3.33Å; D131-E133 VanDerWaalsContact C-N 3.31Å; D131-E133 PolarHBondContact O-N 3.43Å; D131-E133 PolarHBondContact OD1-N 3.33Å; D131-R134 HydrophobicContact CB-CB 4.1Å; D131-R134 VanDerWaalsContact CG-CB 3.43Å; D131-R134 PolarHBondContact O-N 3.12Å; D131-R134 PolarHBondContact OD1-N 2.89Å; D131-R134 WeakPolarHBondContact OD2-CB 3.5Å; D131-C135 PolarHBondContact O-N 2.79Å
132E88.9Confident88.7Confident80 Ų8063.2 Ų63.237%0.37434%0.341SS..Hα-helixtrans-60.7-38.9-176.8-170.2-177.2145.700112.3G84 L87 R134 C135 L136G84-E132 WeakPolarHBondContact CA-OE1 3.25Å; L87-E132 HydrophobicContact CD1-CG 4.12Å; E132-R134 VanDerWaalsContact C-N 3.31Å; E132-R134 PolarHBondContact O-N 3.39Å; E132-C135 PolarHBondContact O-N 2.89Å; E132-L136 HydrophobicContact CG-CD1 4.17Å; E132-L136 HydrophobicContact CG-CG 4.42Å; E132-L136 VanDerWaalsContact O-CG 3.28Å; E132-L136 WeakPolarHBondContact O-CG 3.24Å; E132-L136 PolarHBondContact O-N 2.94Å
133E89Confident88.3Confident123 Ų12366.6 Ų66.658%0.57534%0.336SS*.Hα-helixtrans-63.8-39.8-178.9-63.5-158.8142.600111.6R80 D131 L136 N137R80-E133 IonicContact NH2-OE1 3.76Å; D131-E133 VanDerWaalsContact C-N 3.31Å; D131-E133 PolarHBondContact O-N 3.43Å; D131-E133 PolarHBondContact OD1-N 3.33Å; E133-L136 PolarHBondContact O-N 3.08Å; E133-N137 PolarHBondContact O-N 2.59Å; E133-N137 PolarHBondContact O-ND2 3.34Å; E133-N137 VanDerWaalsContact O-ND2 3.11Å
134R90.1Very high87.5Confident86 Ų8664.6 Ų64.633%0.32533%0.33SS..Hα-helixtrans-64.7-43.4176.1-171.2173-176.9172.6-5.6111.9W128 D131 E132 N137 Y138W128-R134 VanDerWaalsContact CH2-NH1 3.29Å; D131-R134 HydrophobicContact CB-CB 4.1Å; D131-R134 VanDerWaalsContact CG-CB 3.43Å; D131-R134 PolarHBondContact O-N 3.12Å; D131-R134 PolarHBondContact OD1-N 2.89Å; D131-R134 WeakPolarHBondContact OD2-CB 3.5Å; E132-R134 VanDerWaalsContact C-N 3.31Å; E132-R134 PolarHBondContact O-N 3.39Å; R134-N137 PolarHBondContact O-N 3.47Å; R134-Y138 HydrophobicContact CG-CD2 3.99Å; R134-Y138 HydrophobicContact CG-CE2 3.52Å; R134-Y138 PolarHBondContact NE-OH 2.88Å; R134-Y138 PolarHBondContact NH2-OH 3.33Å; R134-Y138 VanDerWaalsContact NH2-OH 3.16Å; R134-Y138 WeakPolarHBondContact O-CD2 3.1Å; R134-Y138 PolarHBondContact O-N 3.4Å
135C90.2Very high86.1Confident0 Ų068.3 Ų68.30%035%0.352CS..Hα-helixtrans-59.8-46.1174-73.20000112.1L87 W128 D131 E132 N137 Y138 I139L87-C135 HydrophobicContact CD1-CB 3.67Å; L87-C135 HydrophobicContact CD2-CB 4.27Å; W128-C135 PolarHBondContact O-SG 3.4Å; W128-C135 VanDerWaalsContact O-SG 3.4Å; D131-C135 PolarHBondContact O-N 2.79Å; E132-C135 PolarHBondContact O-N 2.89Å; C135-N137 VanDerWaalsContact C-N 3.3Å; C135-N137 PolarHBondContact O-N 3.36Å; C135-Y138 PolarHBondContact O-N 2.93Å; C135-I139 VanDerWaalsContact O-CG1 3.32Å; C135-I139 WeakPolarHBondContact O-CG1 3.39Å; C135-I139 PolarHBondContact O-N 3.35Å
136L90.1Very high84.8Confident5 Ų575.3 Ų75.33%0.02638%0.378CS..Hα-helixtrans-59.9-40.6177.6-70.4171000112W11 R80 C83 L87 E132 E133 I139 L140W11-L136 HydrophobicContact CH2-CD2 4.11Å; W11-L136 HydrophobicContact CZ2-CB 4.36Å; W11-L136 HydrophobicContact CZ2-CD2 3.98Å; R80-L136 HydrophobicContact CG-CD1 3.98Å; R80-L136 HydrophobicContact CG-CD2 4.39Å; C83-L136 HydrophobicContact CB-CD2 3.6Å; L87-L136 HydrophobicContact CD1-CD2 3.99Å; L87-L136 HydrophobicContact CD1-CG 4.11Å; E132-L136 HydrophobicContact CG-CD1 4.17Å; E132-L136 HydrophobicContact CG-CG 4.42Å; E132-L136 VanDerWaalsContact O-CG 3.28Å; E132-L136 WeakPolarHBondContact O-CG 3.24Å; E132-L136 PolarHBondContact O-N 2.94Å; E133-L136 PolarHBondContact O-N 3.08Å; L136-I139 PolarHBondContact O-N 2.81Å; L136-L140 VanDerWaalsContact O-CB 3.29Å; L136-L140 WeakPolarHBondContact O-CB 3.29Å; L136-L140 PolarHBondContact O-N 3.4Å
137N90.4Very high83.7Confident88 Ų8879.7 Ų79.747%0.47140%0.401SS..Hα-helixtrans-66.6-40.5177.8-70.8-30.7000112.1E133 R134 C135 L140 A141E133-N137 PolarHBondContact O-N 2.59Å; E133-N137 PolarHBondContact O-ND2 3.34Å; E133-N137 VanDerWaalsContact O-ND2 3.11Å; R134-N137 PolarHBondContact O-N 3.47Å; C135-N137 VanDerWaalsContact C-N 3.3Å; C135-N137 PolarHBondContact O-N 3.36Å; N137-L140 PolarHBondContact O-N 2.94Å; N137-A141 WeakPolarHBondContact O-CB 3.41Å; N137-A141 PolarHBondContact O-N 3.04Å
138Y90.3Very high82.9Confident51 Ų5179 Ų7920%0.239%0.388CS..Hα-helixtrans-63.8-43.1174.4-74.4-56.7000112E123 L125 R134 C135 A141 Q142E123-Y138 HydrophobicContact CB-CD1 4.35Å; E123-Y138 HydrophobicContact CB-CE1 4.44Å; E123-Y138 HydrophobicContact CB-CG 4.47Å; E123-Y138 HydrophobicContact CG-CD1 3.86Å; E123-Y138 HydrophobicContact CG-CE1 3.65Å; E123-Y138 HydrophobicContact CG-CG 4.45Å; L125-Y138 HydrophobicContact CD2-CD2 3.95Å; L125-Y138 HydrophobicContact CD2-CG 4.27Å; R134-Y138 HydrophobicContact CG-CD2 3.99Å; R134-Y138 HydrophobicContact CG-CE2 3.52Å; R134-Y138 PolarHBondContact NE-OH 2.88Å; R134-Y138 PolarHBondContact NH2-OH 3.33Å; R134-Y138 VanDerWaalsContact NH2-OH 3.16Å; R134-Y138 WeakPolarHBondContact O-CD2 3.1Å; R134-Y138 PolarHBondContact O-N 3.4Å; C135-Y138 PolarHBondContact O-N 2.93Å; Y138-A141 PolarHBondContact O-N 3.37Å; Y138-Q142 WeakPolarHBondContact O-CG 3.49Å; Y138-Q142 PolarHBondContact O-N 2.79Å
139I90.4Very high82.5Confident0 Ų076.8 Ų76.80%038%0.383CS..Hα-helixtrans-64.4-42.6177.6-66.7171.5000111.1W11 G13 S14 A15 F77 C83 L87 A120 L125 C135 L136 A141 Q142W11-I139 HydrophobicContact CH2-CB 4.49Å; W11-I139 HydrophobicContact CH2-CG2 3.91Å; G13-I139 WeakPolarHBondContact CA-O 3.25Å; S14-I139 PolarHBondContact N-O 3.09Å; S14-I139 VanDerWaalsContact N-O 3.14Å; A15-I139 HydrophobicContact CB-CG1 4.24Å; F77-I139 HydrophobicContact CD2-CG2 3.8Å; F77-I139 HydrophobicContact CE2-CG2 4.31Å; F77-I139 HydrophobicContact CG-CG2 4.5Å; C83-I139 WeakPolarHBondContact SG-CD1 3.26Å; L87-I139 HydrophobicContact CD1-CD1 4.4Å; L87-I139 HydrophobicContact CD2-CD1 4.24Å; A120-I139 HydrophobicContact CB-CG1 4.18Å; L125-I139 HydrophobicContact CD1-CD1 3.71Å; L125-I139 HydrophobicContact CD1-CG1 3.62Å; C135-I139 VanDerWaalsContact O-CG1 3.32Å; C135-I139 WeakPolarHBondContact O-CG1 3.39Å; C135-I139 PolarHBondContact O-N 3.35Å; L136-I139 PolarHBondContact O-N 2.81Å; I139-A141 VanDerWaalsContact C-N 3.34Å; I139-Q142 PolarHBondContact O-N 3.4Å
140L89.2Confident82Confident66 Ų6680.9 Ų80.935%0.34640%0.401SS..Hα-helixtrans-64.5-37.9176.7179.463.8000112.2W11 L136 N137 Q142W11-L140 HydrophobicContact CD2-CD1 4.32Å; W11-L140 HydrophobicContact CG-CD1 4.11Å; W11-L140 HydrophobicContact CZ2-CB 4.07Å; L136-L140 VanDerWaalsContact O-CB 3.29Å; L136-L140 WeakPolarHBondContact O-CB 3.29Å; L136-L140 PolarHBondContact O-N 3.4Å; N137-L140 PolarHBondContact O-N 2.94Å; L140-Q142 PolarHBondContact O-N 2.68Å
141A87.5Confident81.4Confident71 Ų7178.3 Ų78.359%0.58738%0.38SS*.Hα-helixtrans-63.2-27.5177.400000112.1N137 Y138 I139 K143N137-A141 WeakPolarHBondContact O-CB 3.41Å; N137-A141 PolarHBondContact O-N 3.04Å; Y138-A141 PolarHBondContact O-N 3.37Å; I139-A141 VanDerWaalsContact C-N 3.34Å; A141-K143 PolarHBondContact O-N 2.87Å
142Q85.5Confident81Confident67 Ų6775.1 Ų75.131%0.31336%0.363SS..SBendtrans-84.690.1173-58.3-54.4-44.100110.3S14 A120 Y138 I139 L140S14-Q142 PolarHBondContact N-O 3.26Å; S14-Q142 WeakPolarHBondContact O-CB 3.09Å; S14-Q142 WeakPolarHBondContact OG-CB 3.46Å; S14-Q142 PolarHBondContact OG-O 2.95Å; A120-Q142 HydrophobicContact CB-CG 3.99Å; Y138-Q142 WeakPolarHBondContact O-CG 3.49Å; Y138-Q142 PolarHBondContact O-N 2.79Å; I139-Q142 PolarHBondContact O-N 3.4Å; L140-Q142 PolarHBondContact O-N 2.68Å
143K75Confident80.5Confident175 Ų17573 Ų7376%0.76136%0.359SS*.  trans-66.2131.7172.1-68.8-173.1177.1-176.60109.9A141 D145A141-K143 PolarHBondContact O-N 2.87Å; K143-D145 PolarHBondContact O-N 2.78Å
144P70.9Confident80.1Confident35 Ų3572.8 Ų72.823%0.22736%0.358CS..  trans-65.2106.1173.824.6-30.5000109.2V12 L62 R76 R146V12-P144 HydrophobicContact CG1-CG 3.49Å; V12-P144 VanDerWaalsContact CG1-CG 3.49Å; L62-P144 HydrophobicContact CD1-CB 3.79Å; R76-P144 HydrophobicContact CG-CG 4.39Å; P144-R146 PolarHBondContact O-N 2.8Å
145D62.8Low79.6Confident151 Ų15169.2 Ų69.281%0.80735%0.345SS*.  trans-84.61.2-175.7-161.626.7000112.7K143K143-D145 PolarHBondContact O-N 2.78Å
146R62.8Low79.1Confident147 Ų14770.3 Ų70.356%0.55535%0.351SS*.SBendtrans-136.4136-173.5-61.5-173.2-177.8-162.7-0.6111.7P144P144-R146 PolarHBondContact O-N 2.8Å
147L65.1Low78.6Confident132 Ų13273.5 Ų73.569%0.69137%0.368SS*.PPolyproline II helixtrans-62.7157.3162.1-64.4175.6000109.2D149L147-D149 PolarHBondContact O-N 2.83Å
148R71.3Confident78Confident72 Ų7273.8 Ų73.827%0.27237%0.366SS..PPolyproline II helixtrans-58.8134.8176.9-178.3-178.2177.3167.87.5110.7Y42 L62 L152 E156Y42-R148 PolarHBondContact OH-NH2 3.5Å; L62-R148 HydrophobicContact CD2-CB 4.5Å; R148-L152 HydrophobicContact CG-CB 4.41Å; R148-L152 PolarHBondContact NH2-O 2.86Å; R148-E156 IonicContact CZ-OE1 3.86Å; R148-E156 IonicContact CZ-OE2 3.93Å; R148-E156 IonicContact NH1-OE1 2.69Å; R148-E156 PolarHBondContact NH1-OE1 3.36Å; R148-E156 IonicContact NH1-OE2 2.82Å; R148-E156 PolarHBondContact NH1-OE2 3.35Å; R148-E156 IonicContact NH2-OE1 3.91Å; R148-E156 PolarHBondContact NH2-OE1 3.15Å; R148-E156 IonicContact NH2-OE2 3.68Å; R148-E156 PolarHBondContact NH2-OE2 3.45Å
149D79.8Confident77.5Confident33 Ų3372 Ų7218%0.17636%0.36CS..PPolyproline II helixtrans-60.1137.7179.5-86.15.5000112.4L62 K63 L147 E151 L152 A153L62-D149 PolarHBondContact O-N 3.13Å; K63-D149 WeakPolarHBondContact CD-OD2 3.24Å; K63-D149 WeakPolarHBondContact CE-OD2 3.35Å; K63-D149 WeakPolarHBondContact CG-OD2 3.43Å; K63-D149 IonicContact NZ-OD1 3.44Å; K63-D149 PolarHBondContact NZ-OD1 2.74Å; K63-D149 IonicContact NZ-OD2 3.49Å; K63-D149 PolarHBondContact NZ-OD2 2.74Å; L147-D149 PolarHBondContact O-N 2.83Å; D149-E151 PolarHBondContact O-N 3.46Å; D149-L152 HydrophobicContact CB-CD1 4.5Å; D149-L152 HydrophobicContact CB-CG 4.27Å; D149-L152 PolarHBondContact O-N 3.14Å; D149-A153 PolarHBondContact O-N 3.18Å
150E74.9Confident76.9Confident117 Ų11778.6 Ų78.655%0.54739%0.385SS..Hα-helixtrans-57.5-37.9178.5-65-173.7150.500112L152 A153 E154E150-L152 VanDerWaalsContact C-N 3.29Å; E150-L152 PolarHBondContact O-N 2.88Å; E150-A153 WeakPolarHBondContact O-CA 3.21Å; E150-A153 WeakPolarHBondContact O-CB 3.36Å; E150-A153 PolarHBondContact O-N 2.79Å; E150-E154 WeakPolarHBondContact O-CG 3.24Å; E150-E154 PolarHBondContact O-N 3.29Å
151E76.3Confident76.4Confident76 Ų7682.1 Ų82.136%0.35540%0.397SS..Hα-helixtrans-56.9-40.7174.9-177.7-176.1162.200112.4K38 D149 A153 E154 L155K38-E151 WeakPolarHBondContact CE-OE1 3.28Å; K38-E151 VanDerWaalsContact NZ-CD 3.32Å; K38-E151 IonicContact NZ-OE1 2.58Å; K38-E151 PolarHBondContact NZ-OE1 3.11Å; D149-E151 PolarHBondContact O-N 3.46Å; E151-A153 VanDerWaalsContact C-N 3.34Å; E151-E154 PolarHBondContact O-N 2.97Å; E151-L155 VanDerWaalsContact O-CG 3.32Å; E151-L155 WeakPolarHBondContact O-CG 3.44Å; E151-L155 PolarHBondContact O-N 3.44Å
152L79.6Confident75.6Confident2 Ų283.2 Ų83.21%0.0139%0.393CS..Hα-helixtrans-73.8-29.5177.1-63.3-176.5000112Y42 I61 L62 I64 R148 D149 E150 L155 E156Y42-L152 HydrophobicContact CD2-CD2 3.82Å; Y42-L152 HydrophobicContact CE2-CD2 3.73Å; I61-L152 HydrophobicContact CB-CD1 4.39Å; I61-L152 HydrophobicContact CG2-CD1 3.72Å; L62-L152 WeakPolarHBondContact O-CD1 3.39Å; I64-L152 HydrophobicContact CD1-CD2 3.91Å; I64-L152 HydrophobicContact CG1-CD2 4.07Å; R148-L152 HydrophobicContact CG-CB 4.41Å; R148-L152 PolarHBondContact NH2-O 2.86Å; D149-L152 HydrophobicContact CB-CD1 4.5Å; D149-L152 HydrophobicContact CB-CG 4.27Å; D149-L152 PolarHBondContact O-N 3.14Å; E150-L152 VanDerWaalsContact C-N 3.29Å; E150-L152 PolarHBondContact O-N 2.88Å; L152-L155 HydrophobicContact CD2-CD1 4.19Å; L152-E156 PolarHBondContact O-N 2.67Å; L152-E156 VanDerWaalsContact O-N 3.09Å
153A78.9Confident74.7Confident36 Ų3683.9 Ų83.930%0.29840%0.401SS..Hα-helixtrans-69.9-38.7174.200000111.1D149 E150 E151 E156 N157D149-A153 PolarHBondContact O-N 3.18Å; E150-A153 WeakPolarHBondContact O-CA 3.21Å; E150-A153 WeakPolarHBondContact O-CB 3.36Å; E150-A153 PolarHBondContact O-N 2.79Å; E151-A153 VanDerWaalsContact C-N 3.34Å; A153-E156 PolarHBondContact O-N 3.26Å; A153-N157 WeakPolarHBondContact O-CB 3.38Å; A153-N157 PolarHBondContact O-N 3.19Å; A153-N157 PolarHBondContact O-ND2 2.82Å
154E81.8Confident73.3Confident119 Ų11980.1 Ų80.156%0.55640%0.396SS*.Hα-helixtrans-62-50.7172.4-71.4177.8178.600111.6E150 E151 E156 N157 E158E150-E154 WeakPolarHBondContact O-CG 3.24Å; E150-E154 PolarHBondContact O-N 3.29Å; E151-E154 PolarHBondContact O-N 2.97Å; E154-E156 VanDerWaalsContact C-N 3.28Å; E154-E156 PolarHBondContact O-N 2.93Å; E154-N157 WeakPolarHBondContact O-CB 3.36Å; E154-N157 PolarHBondContact O-N 2.75Å; E154-E158 WeakPolarHBondContact O-CG 3.45Å; E154-E158 PolarHBondContact O-N 3.13Å
155L78.8Confident72.1Confident11 Ų1184.8 Ų84.86%0.05842%0.419CS..Hα-helixtrans-58.4-39.1177.3-69.9173.9000112.3K38 L39 Y42 E151 L152 E158 L159K38-L155 HydrophobicContact CD-CD2 4.37Å; K38-L155 HydrophobicContact CG-CD1 4.15Å; K38-L155 HydrophobicContact CG-CD2 4.2Å; L39-L155 HydrophobicContact CB-CD2 4.37Å; L39-L155 HydrophobicContact CD1-CB 4.14Å; L39-L155 HydrophobicContact CD1-CD2 3.68Å; L39-L155 WeakPolarHBondContact CD1-O 3.47Å; Y42-L155 HydrophobicContact CD1-CB 3.74Å; Y42-L155 HydrophobicContact CD1-CD1 4.29Å; Y42-L155 HydrophobicContact CD2-CD1 4.39Å; Y42-L155 HydrophobicContact CE1-CB 4.16Å; Y42-L155 HydrophobicContact CG-CB 4.24Å; Y42-L155 HydrophobicContact CG-CD1 3.94Å; E151-L155 VanDerWaalsContact O-CG 3.32Å; E151-L155 WeakPolarHBondContact O-CG 3.44Å; E151-L155 PolarHBondContact O-N 3.44Å; L152-L155 HydrophobicContact CD2-CD1 4.19Å; L155-E158 PolarHBondContact O-N 3.48Å; L155-L159 WeakPolarHBondContact O-CB 3.42Å; L155-L159 WeakPolarHBondContact O-CG 3.49Å; L155-L159 PolarHBondContact O-N 2.94Å
156E80.1Confident71Confident23 Ų2382.3 Ų82.311%0.10741%0.413CS..Hα-helixtrans-66-41.1173.2-91.3-166.5-173.100113.4Y42 Q46 R148 L152 A153 E154 E158 L159 R160Y42-E156 HydrophobicContact CE1-CG 3.7Å; Y42-E156 WeakPolarHBondContact OH-CG 3.29Å; Y42-E156 PolarHBondContact OH-OE1 3.05Å; Q46-E156 PolarHBondContact NE2-OE1 3.04Å; Q46-E156 VanDerWaalsContact NE2-OE1 3.14Å; R148-E156 IonicContact CZ-OE1 3.86Å; R148-E156 IonicContact CZ-OE2 3.93Å; R148-E156 IonicContact NH1-OE1 2.69Å; R148-E156 PolarHBondContact NH1-OE1 3.36Å; R148-E156 IonicContact NH1-OE2 2.82Å; R148-E156 PolarHBondContact NH1-OE2 3.35Å; R148-E156 IonicContact NH2-OE1 3.91Å; R148-E156 PolarHBondContact NH2-OE1 3.15Å; R148-E156 IonicContact NH2-OE2 3.68Å; R148-E156 PolarHBondContact NH2-OE2 3.45Å; L152-E156 PolarHBondContact O-N 2.67Å; L152-E156 VanDerWaalsContact O-N 3.09Å; A153-E156 PolarHBondContact O-N 3.26Å; E154-E156 VanDerWaalsContact C-N 3.28Å; E154-E156 PolarHBondContact O-N 2.93Å; E156-E158 VanDerWaalsContact C-N 3.29Å; E156-E158 PolarHBondContact O-N 2.84Å; E156-L159 PolarHBondContact O-N 2.93Å; E156-R160 WeakPolarHBondContact O-CB 3.38Å; E156-R160 WeakPolarHBondContact O-CG 3.39Å; E156-R160 PolarHBondContact O-N 3.22Å; E156-R160 IonicContact OE2-CZ 2.62Å; E156-R160 IonicContact OE2-NH2 3.69Å; E156-R160 PolarHBondContact OE2-NH2 3.33Å
157N78.4Confident69.7Low72 Ų7281.2 Ų81.239%0.38542%0.422SS..Hα-helixtrans-64.4-38.4177.5-72.2-34.3000110.7A153 E154 R160 K161A153-N157 WeakPolarHBondContact O-CB 3.38Å; A153-N157 PolarHBondContact O-N 3.19Å; A153-N157 PolarHBondContact O-ND2 2.82Å; E154-N157 WeakPolarHBondContact O-CB 3.36Å; E154-N157 PolarHBondContact O-N 2.75Å; N157-R160 PolarHBondContact O-N 3.34Å; N157-R160 PolarHBondContact OD1-NH1 2.85Å; N157-K161 VanDerWaalsContact O-CG 3.23Å; N157-K161 WeakPolarHBondContact O-CG 3.45Å; N157-K161 PolarHBondContact O-N 3.2Å
158E79.7Confident68.4Low93 Ų9378.2 Ų78.244%0.43542%0.423SS..Hα-helixtrans-63.4-44.8171.5-70.9-172.6165.700112.2L39 E154 L155 E156 R160 K161 L162L39-E158 HydrophobicContact CD1-CB 3.91Å; L39-E158 HydrophobicContact CD2-CB 4.47Å; E154-E158 WeakPolarHBondContact O-CG 3.45Å; E154-E158 PolarHBondContact O-N 3.13Å; L155-E158 PolarHBondContact O-N 3.48Å; E156-E158 VanDerWaalsContact C-N 3.29Å; E156-E158 PolarHBondContact O-N 2.84Å; E158-R160 PolarHBondContact O-N 3.34Å; E158-K161 PolarHBondContact O-N 3.17Å; E158-L162 WeakPolarHBondContact O-CG 3.33Å; E158-L162 PolarHBondContact O-N 3.46Å
159L78.1Confident67.1Low13 Ų1383.9 Ų83.97%0.06845%0.453CS..Hα-helixtrans-61.1-41.9174.3-78.5175.2000112.8L39 Y42 K43 L155 E156 L162 T163L39-L159 HydrophobicContact CD1-CD2 4.14Å; L39-L159 HydrophobicContact CD1-CG 3.79Å; L39-L159 HydrophobicContact CD2-CD2 4.45Å; L39-L159 HydrophobicContact CG-CD2 4Å; L39-L159 HydrophobicContact CG-CG 4.22Å; Y42-L159 HydrophobicContact CD1-CD1 3.63Å; Y42-L159 HydrophobicContact CE1-CD1 3.87Å; K43-L159 HydrophobicContact CB-CD1 3.88Å; K43-L159 HydrophobicContact CB-CD2 3.78Å; K43-L159 HydrophobicContact CB-CG 4.5Å; K43-L159 HydrophobicContact CD-CD2 3.71Å; K43-L159 HydrophobicContact CG-CD1 4.22Å; K43-L159 HydrophobicContact CG-CD2 3.84Å; L155-L159 WeakPolarHBondContact O-CB 3.42Å; L155-L159 WeakPolarHBondContact O-CG 3.49Å; L155-L159 PolarHBondContact O-N 2.94Å; E156-L159 PolarHBondContact O-N 2.93Å; L159-L162 PolarHBondContact O-N 3.25Å; L159-T163 WeakPolarHBondContact O-CB 3.43Å; L159-T163 PolarHBondContact O-N 3.41Å; L159-T163 PolarHBondContact O-OG1 3.36Å
160R79.1Confident64.7Low139 Ų13986.3 Ų86.353%0.52549%0.486SS..Hα-helixtrans-64.5-42.9176.4-74.5-175.1-140.7142.75.3111.3E156 N157 E158 T163 C164E156-R160 WeakPolarHBondContact O-CB 3.38Å; E156-R160 WeakPolarHBondContact O-CG 3.39Å; E156-R160 PolarHBondContact O-N 3.22Å; E156-R160 IonicContact OE2-CZ 2.62Å; E156-R160 IonicContact OE2-NH2 3.69Å; E156-R160 PolarHBondContact OE2-NH2 3.33Å; N157-R160 PolarHBondContact O-N 3.34Å; N157-R160 PolarHBondContact OD1-NH1 2.85Å; E158-R160 PolarHBondContact O-N 3.34Å; R160-T163 PolarHBondContact O-N 2.89Å; R160-C164 WeakPolarHBondContact O-CB 3.25Å; R160-C164 PolarHBondContact O-N 3.32Å; R160-C164 PolarHBondContact O-SG 3.49Å
161K77.6Confident62.4Low141 Ų14184.4 Ų84.461%0.61350%0.497SS*.Hα-helixtrans-56.5-51.3174.4-73.7169-175.3177.30110.9N157 E158 T163 C164 D165N157-K161 VanDerWaalsContact O-CG 3.23Å; N157-K161 WeakPolarHBondContact O-CG 3.45Å; N157-K161 PolarHBondContact O-N 3.2Å; E158-K161 PolarHBondContact O-N 3.17Å; K161-T163 VanDerWaalsContact C-N 3.3Å; K161-T163 PolarHBondContact O-N 3.07Å; K161-C164 PolarHBondContact O-N 2.94Å; K161-C164 VanDerWaalsContact O-N 3.15Å; K161-D165 PolarHBondContact O-N 2.81Å
162L72.2Confident60.4Low93 Ų9385.3 Ų85.349%0.48752%0.518SS..Hα-helixtrans-62.4-34.5178.7-71167.4000113.3L39 E158 L159 C166L39-L162 HydrophobicContact CD2-CD1 3.5Å; L39-L162 VanDerWaalsContact CD2-CD1 3.5Å; E158-L162 WeakPolarHBondContact O-CG 3.33Å; E158-L162 PolarHBondContact O-N 3.46Å; L159-L162 PolarHBondContact O-N 3.25Å; L162-C166 PolarHBondContact O-SG 3.13Å
163T65.7Low58.2Low81 Ų8193.4 Ų93.450%0.49756%0.56SS.*Hα-helixtrans-74.3-31.9178.1-52.20000111.4L159 R160 K161 C166 T167L159-T163 WeakPolarHBondContact O-CB 3.43Å; L159-T163 PolarHBondContact O-N 3.41Å; L159-T163 PolarHBondContact O-OG1 3.36Å; R160-T163 PolarHBondContact O-N 2.89Å; K161-T163 VanDerWaalsContact C-N 3.3Å; K161-T163 PolarHBondContact O-N 3.07Å; T163-C166 PolarHBondContact O-N 3.06Å; T163-T167 PolarHBondContact O-OG1 3.44Å
164C45.1Very low56Low96 Ų96100 Ų10065%0.64958%0.584SS**Hα-helixtrans-71.6-26.7176.5-73.80000113.6R160 K161 C166R160-C164 WeakPolarHBondContact O-CB 3.25Å; R160-C164 PolarHBondContact O-N 3.32Å; R160-C164 PolarHBondContact O-SG 3.49Å; K161-C164 PolarHBondContact O-N 2.94Å; K161-C164 VanDerWaalsContact O-N 3.15Å; C164-C166 PolarHBondContact O-N 2.85Å
165D46Very low53.6Low133 Ų13399.8 Ų99.871%0.71159%0.591SS**THydrogen-bonded Turntrans-72.5-16177.5-65.7-27.5000112.9K161K161-D165 PolarHBondContact O-N 2.81Å
166C38.8Very low51.1Low100 Ų100105.7 Ų105.768%0.67662%0.623SS**THydrogen-bonded Turntrans-98.9-10.9-174.6-61.80000115L162 T163 C164 G168L162-C166 PolarHBondContact O-SG 3.13Å; T163-C166 PolarHBondContact O-N 3.06Å; C164-C166 PolarHBondContact O-N 2.85Å; C166-G168 PolarHBondContact O-N 3.38Å
167T36.7Very low48.6Very low123 Ų123109.5 Ų109.576%0.75565%0.652SS**THydrogen-bonded Turntrans-85.210.5-176.9-32.40000113.4T163T163-T167 PolarHBondContact O-OG1 3.44Å
168G37.8Very low46.1Very low69 Ų69110.9 Ų110.971%0.71167%0.673SS**THydrogen-bonded Turntrans-102.16.9179.600000116C166C166-G168 PolarHBondContact O-N 3.38Å
169Q43.1Very low43.7Very low191 Ų191112.3 Ų112.389%0.89369%0.694SS**  trans-137.869.9177.4-79.2-175.2-6.900111.7
170G29.3Very low41.4Very low85 Ų85117 Ų11788%0.87673%0.727SS**  trans-112.184.5163.100000109.8
171G28.3Very low39Very low76 Ų76120.3 Ų120.378%0.78475%0.745SS**  trans-131.388.617300000110
172A33Very low36.9Very low96 Ų96118.8 Ų118.879%0.79375%0.752SS**  trans-73.5127.6160.700000108.5
173I33.8Very low34.8Very low171 Ų171122.4 Ų122.488%0.87777%0.771SS**  -172.4133.5128.5-87.6151.3000107.9
174Q33.6Very low33.2Very low175 Ų175124.7 Ų124.782%0.81879%0.785SS**  trans-91.2146.3-179.5-142.8-173.613.800109.8
175V31Very low33Very low114 Ų114125.3 Ų125.369%0.69179%0.788SS**  trans60.4142.1161.9-114.20000117.4
176D26.3Very low32.2Very low136 Ų136124.4 Ų124.473%0.72779%0.792SS**  cis-160.5154.714.4-147.3-20.7000111.2
177S26.3Very low32.7Very low102 Ų102125.5 Ų125.571%0.71380%0.798SS**  trans64.1112.7144.7-68.90000125.2
178A26.8Very low32.4Very low101 Ų101124 Ų12484%0.83580%0.798SS**  trans65.2116.5132.400000122.8
179S28.1Very low32.5Very low124 Ų124129.9 Ų129.987%0.86781%0.807SS**  162.2133.7110.1-170.30000112
180S30.8Very low31.8Very low110 Ų110129.7 Ų129.777%0.76981%0.806SS**  trans-62.7144.7-177.8-50.20000114.6
181K28.3Very low32Very low210 Ų210133.1 Ų133.191%0.91380%0.797SS**  -169.5129.3127.5-104.4164.6-171.1-179.50112.8
182S34.4Very low32.5Very low108 Ų108138 Ų13876%0.75580%0.804SS**  trans-65.1142.2169.11720000111.9
183L27.8Very low32.7Very low169 Ų169140 Ų14089%0.88580%0.8SS**  trans-177.5120.6139.6-99.2140.9000110.6
184V32.3Very low32.8Very low129 Ų129136.8 Ų136.878%0.78279%0.791SS**  trans-105.9144.4160.4177.30000103.8
185P39.8Very low33.3Very low109 Ų109134.1 Ų134.171%0.70879%0.786SS**  -149.6169.150.536.3-12.9000119.3
186S28.8Very low33.8Very low115 Ų115132.2 Ų132.280%0.80478%0.782SS**  trans97.6150.8141.6-76.70000121.1
187P49.5Very low34.8Very low122 Ų122131.1 Ų131.179%0.79278%0.784SS**  trans-107.2152.2-14239.3-30.5000113.3
188A30.1Very low36.6Very low92 Ų92132.3 Ų132.376%0.7678%0.778SS**  trans-157.8105.4161.900000106.6
189E40.8Very low38.8Very low192 Ų192131 Ų13190%0.89776%0.76SS**  54.797.191-90-171.1136.100113.8
190E28.6Very low41.4Very low187 Ų187125.9 Ų125.987%0.87472%0.722SS**  trans-177.2124.5141.1-105.3179.6139.900106.6
191K32.6Very low43.8Very low158 Ų158126.8 Ų126.869%0.68772%0.718SS**  cis-165.498.615.7-175.4174.9-174.5169.50107.4L193K191-L193 HydrophobicContact CG-CG 4.36Å; K191-L193 PolarHBondContact O-N 3.46Å
192L40.2Very low46.3Very low179 Ų179116.8 Ų116.894%0.93767%0.674SS**  trans-73.8110.3169.1-74167.6000108.3
193L35.6Very low48.3Very low136 Ų136117.5 Ų117.571%0.71267%0.666SS**  trans-95.2147.9164.3-71.4173.4000109.1K191K191-L193 HydrophobicContact CG-CG 4.36Å; K191-L193 PolarHBondContact O-N 3.46Å
194P37.1Very low50.4Low104 Ų104112.2 Ų112.268%0.67565%0.652SS**  -83.6149.4-126.629-35.2000115A196P194-A196 HydrophobicContact CB-CB 4.44Å; P194-A196 PolarHBondContact O-N 3.46Å
195V43Very low52.4Low119 Ų119111.5 Ų111.572%0.72164%0.64SS**G310 helixtrans-6322.6175.1-1780000113.1
196A41.7Very low54.3Low74 Ų74110.5 Ų110.561%0.61263%0.633SS**G310 helixtrans-88.4-6.5-170.300000115.1P194P194-A196 HydrophobicContact CB-CB 4.44Å; P194-A196 PolarHBondContact O-N 3.46Å
197C47.6Very low56.8Low114 Ų114105.8 Ų105.877%0.7760%0.6SS**G310 helixtrans-111.43.7-177.2-730000114.8
198Q63.8Low58.5Low126 Ų126104.2 Ų104.259%0.58959%0.588SS**SBendtrans-92.50-178.6-68.9-173.90.700113.5V208 N209Q198-V208 CarbonylContact O-C 3.6Å; Q198-V208 VanDerWaalsContact O-CA 3.25Å; Q198-V208 WeakPolarHBondContact O-CA 3.37Å; Q198-N209 PolarHBondContact O-N 3.22Å
199T73.3Confident61.1Low74 Ų74101.3 Ų101.345%0.45456%0.56SS.*EExtended strand (participates in β ladder)trans-137.6136.8178.850.70000111.4V207 V208T199-V207 CarbonylContact C-O 3.57Å; T199-V207 WeakPolarHBondContact CA-O 3.49Å; T199-V208 HydrophobicContact CG2-CG2 4.29Å
200F82.6Confident63.3Low17 Ų1795.9 Ų95.98%0.07553%0.531CS..EExtended strand (participates in β ladder)trans-118.6160.3171.368.8-80000109.8F202 V207 N209 Q281 V284 L300F200-F202 HydrophobicContact CE2-CB 4.12Å; F200-V207 HydrophobicContact CD1-CB 4.46Å; F200-V207 WeakPolarHBondContact CD1-O 3.41Å; F200-V207 HydrophobicContact CE1-CB 4.06Å; F200-V207 HydrophobicContact CE1-CG1 4.16Å; F200-V207 HydrophobicContact CZ-CB 4.13Å; F200-V207 HydrophobicContact CZ-CG1 4.26Å; F200-V207 PolarHBondContact N-O 3.36Å; F200-V207 PolarHBondContact O-N 2.8Å; F200-N209 HydrophobicContact CD1-CB 3.95Å; F200-N209 HydrophobicContact CE1-CB 4.48Å; F200-Q281 HydrophobicContact CB-CB 4.4Å; F200-Q281 HydrophobicContact CB-CG 3.92Å; F200-Q281 HydrophobicContact CD1-CB 3.69Å; F200-Q281 HydrophobicContact CD1-CG 4.12Å; F200-Q281 HydrophobicContact CD2-CB 4.23Å; F200-Q281 HydrophobicContact CD2-CG 3.95Å; F200-Q281 HydrophobicContact CE1-CB 3.91Å; F200-Q281 HydrophobicContact CE2-CB 4.42Å; F200-Q281 HydrophobicContact CE2-CG 4.48Å; F200-Q281 HydrophobicContact CG-CB 3.85Å; F200-Q281 HydrophobicContact CG-CG 3.74Å; F200-Q281 HydrophobicContact CZ-CB 4.26Å; F200-V284 HydrophobicContact CE2-CB 4.05Å; F200-V284 HydrophobicContact CE2-CG1 3.9Å; F200-V284 HydrophobicContact CE2-CG2 4.39Å; F200-V284 HydrophobicContact CZ-CB 4.21Å; F200-V284 HydrophobicContact CZ-CG1 4.43Å; F200-V284 HydrophobicContact CZ-CG2 4.11Å; F200-L300 HydrophobicContact CZ-CD2 3.84Å
201L82.9Confident66.1Low128 Ų12890.4 Ų90.467%0.6751%0.511SS*.EExtended strand (participates in β ladder)trans-93.3124.3179.4-69.2170.6000109.8Q205 P206L201-Q205 WeakPolarHBondContact CA-O 3.4Å; L201-P206 HydrophobicContact CD2-CB 4.49Å
202F78.9Confident68.7Low1 Ų183.4 Ų83.40%0.00448%0.481CS..EExtended strand (participates in β ladder)trans-122.3120.4170.1179.1-106.6000107.8F200 G204 Q205 V207 V284 E288 T293 A296 E297 L300F200-F202 HydrophobicContact CE2-CB 4.12Å; F202-G204 PolarHBondContact O-N 3.33Å; F202-Q205 PolarHBondContact N-O 3.39Å; F202-Q205 WeakPolarHBondContact O-CB 3.46Å; F202-Q205 PolarHBondContact O-N 3.25Å; F202-V207 HydrophobicContact CB-CG2 3.98Å; F202-V284 HydrophobicContact CD2-CG1 3.33Å; F202-V284 HydrophobicContact CE2-CG1 3.57Å; F202-V284 HydrophobicContact CG-CG1 4.22Å; F202-E288 HydrophobicContact CD2-CG 4.3Å; F202-E288 VanDerWaalsContact CD2-OE1 3.28Å; F202-E288 WeakPolarHBondContact CD2-OE1 3.38Å; F202-E288 HydrophobicContact CE2-CG 3.76Å; F202-E288 WeakPolarHBondContact CE2-OE1 3.2Å; F202-T293 HydrophobicContact CE2-CG2 4.49Å; F202-T293 HydrophobicContact CZ-CG2 3.99Å; F202-A296 HydrophobicContact CE2-CB 3.69Å; F202-A296 HydrophobicContact CZ-CB 3.57Å; F202-E297 HydrophobicContact CE1-CG 3.69Å; F202-E297 HydrophobicContact CZ-CG 4.01Å; F202-L300 HydrophobicContact CB-CD1 3.95Å; F202-L300 HydrophobicContact CD1-CD1 3.18Å; F202-L300 HydrophobicContact CD2-CD1 4.05Å; F202-L300 HydrophobicContact CE1-CD1 3.52Å; F202-L300 HydrophobicContact CE2-CD1 4.33Å; F202-L300 HydrophobicContact CG-CD1 3.45Å; F202-L300 VanDerWaalsContact CG-CD1 3.45Å; F202-L300 HydrophobicContact CZ-CD1 4.09Å
203H77.9Confident70.9Confident123 Ų12377.6 Ų77.657%0.56945%0.451SS*.THydrogen-bonded Turntrans47.733.4-172.3-71.5-79.8000115.3Q205 T293H203-Q205 VanDerWaalsContact C-N 3.3Å; H203-Q205 PolarHBondContact O-N 2.87Å; H203-T293 WeakPolarHBondContact NE2-CG2 3.29Å
204G70.9Confident73.4Confident58 Ų5875 Ų7560%0.59844%0.437SS*.THydrogen-bonded Turntrans80.81.4-178.900000115.2F202F202-G204 PolarHBondContact O-N 3.33Å
205Q73.8Confident75.8Confident114 Ų11476.3 Ų76.353%0.53344%0.435SS..EExtended strand (participates in β ladder)trans-95.6136.7173-65-63.9-34.600111L201 F202 H203 V207L201-Q205 WeakPolarHBondContact CA-O 3.4Å; F202-Q205 PolarHBondContact N-O 3.39Å; F202-Q205 WeakPolarHBondContact O-CB 3.46Å; F202-Q205 PolarHBondContact O-N 3.25Å; H203-Q205 VanDerWaalsContact C-N 3.3Å; H203-Q205 PolarHBondContact O-N 2.87Å; Q205-V207 PolarHBondContact O-N 3.15Å
206P79.8Confident78Confident87 Ų8770.8 Ų70.857%0.56540%0.401SS*.EExtended strand (participates in β ladder)trans-76.2116174.130.3-31.9000110.4L201L201-P206 HydrophobicContact CD2-CB 4.49Å
207V82.9Confident80.4Confident16 Ų1667.6 Ų67.610%0.09737%0.374CS..EExtended strand (participates in β ladder)trans-112.5137.1178.8-171.80000111.1T199 F200 F202 Q205 N209 L300T199-V207 CarbonylContact C-O 3.57Å; T199-V207 WeakPolarHBondContact CA-O 3.49Å; F200-V207 HydrophobicContact CD1-CB 4.46Å; F200-V207 WeakPolarHBondContact CD1-O 3.41Å; F200-V207 HydrophobicContact CE1-CB 4.06Å; F200-V207 HydrophobicContact CE1-CG1 4.16Å; F200-V207 HydrophobicContact CZ-CB 4.13Å; F200-V207 HydrophobicContact CZ-CG1 4.26Å; F200-V207 PolarHBondContact N-O 3.36Å; F200-V207 PolarHBondContact O-N 2.8Å; F202-V207 HydrophobicContact CB-CG2 3.98Å; Q205-V207 PolarHBondContact O-N 3.15Å; V207-N209 PolarHBondContact O-N 3.3Å; V207-L300 HydrophobicContact CB-CD2 4.24Å; V207-L300 HydrophobicContact CG1-CB 4.48Å; V207-L300 HydrophobicContact CG1-CD2 3.33Å; V207-L300 HydrophobicContact CG1-CG 4.3Å; V207-L300 HydrophobicContact CG2-CD1 4.31Å; V207-L300 HydrophobicContact CG2-CD2 4.46Å
208V83.7Confident82.4Confident90 Ų9064.3 Ų64.355%0.54535%0.347SS..EExtended strand (participates in β ladder)trans-68119.3-179.4-177.90000110.7Q198 T199 R210Q198-V208 CarbonylContact O-C 3.6Å; Q198-V208 VanDerWaalsContact O-CA 3.25Å; Q198-V208 WeakPolarHBondContact O-CA 3.37Å; T199-V208 HydrophobicContact CG2-CG2 4.29Å; V208-R210 PolarHBondContact O-N 3.36Å
209N85.2Confident83.6Confident31 Ų3160 Ų6017%0.16633%0.33CS..  trans-76114.6173.7-159.311000109.7Q198 F200 V207 T279 Q281Q198-N209 PolarHBondContact O-N 3.22Å; F200-N209 HydrophobicContact CD1-CB 3.95Å; F200-N209 HydrophobicContact CE1-CB 4.48Å; V207-N209 PolarHBondContact O-N 3.3Å; N209-T279 VanDerWaalsContact OD1-CB 3.32Å; N209-T279 WeakPolarHBondContact OD1-CB 3.42Å; N209-Q281 PolarHBondContact ND2-OE1 3.14Å; N209-Q281 VanDerWaalsContact OD1-CB 3.25Å; N209-Q281 WeakPolarHBondContact OD1-CB 3.21Å; N209-Q281 PolarHBondContact OD1-N 2.88Å
210R86.8Confident84.5Confident78 Ų7856.5 Ų56.529%0.29431%0.308SS..  trans-129.1155.7176.560.4178.9-178.376.3-1.1110.5V208 N213 D216 T279 L280V208-R210 PolarHBondContact O-N 3.36Å; R210-N213 VanDerWaalsContact NH1-CG 3.29Å; R210-N213 PolarHBondContact NH1-ND2 3.01Å; R210-D216 IonicContact CZ-OD1 2.67Å; R210-D216 IonicContact CZ-OD2 2.86Å; R210-D216 IonicContact NH1-OD1 2.79Å; R210-D216 IonicContact NH1-OD2 3.13Å; R210-D216 PolarHBondContact NH1-OD2 2.86Å; R210-D216 IonicContact NH2-OD1 3.46Å; R210-D216 PolarHBondContact NH2-OD1 2.94Å; R210-D216 IonicContact NH2-OD2 2.68Å; R210-D216 PolarHBondContact NH2-OD2 2.8Å; R210-T279 WeakPolarHBondContact O-CA 3.46Å; R210-L280 HydrophobicContact CG-CB 4.37Å; R210-L280 HydrophobicContact CG-CD2 4.2Å; R210-L280 WeakPolarHBondContact O-CB 3.47Å; R210-L280 PolarHBondContact O-N 3.29Å
211P87.1Confident85Confident71 Ų7155.9 Ų55.946%0.46131%0.306SS..BIsolated β-bridgetrans-55.8146.8166.4-22.233.7000110.7A278P211-A278 CarbonylContact C-O 3.57Å; P211-A278 WeakPolarHBondContact CA-O 3.4Å
212L89Confident85.3Confident12 Ų1258.2 Ų58.26%0.06331%0.305CS..  trans-59.7137.9173.3-67175.4000109.8D216 L267 F270 M271 A278 L280 L283L212-D216 WeakPolarHBondContact CA-OD2 3.48Å; L212-D216 HydrophobicContact CD2-CB 4.01Å; L212-L267 HydrophobicContact CD1-CD2 4.36Å; L212-F270 HydrophobicContact CD1-CD1 3.72Å; L212-F270 HydrophobicContact CD1-CE1 3.74Å; L212-M271 HydrophobicContact CB-CE 4.35Å; L212-M271 HydrophobicContact CB-CG 4.04Å; L212-M271 HydrophobicContact CB-SD 3.9Å; L212-M271 HydrophobicContact CD1-CG 4.25Å; L212-M271 VanDerWaalsContact O-CE 3.25Å; L212-M271 WeakPolarHBondContact O-CE 3.45Å; L212-A278 HydrophobicContact CD1-CB 4.42Å; L212-A278 PolarHBondContact N-O 3.4Å; L212-L280 HydrophobicContact CD2-CB 4.4Å; L212-L280 HydrophobicContact CD2-CD1 4.02Å; L212-L283 HydrophobicContact CD1-CB 4.33Å; L212-L283 HydrophobicContact CD1-CD2 4.13Å; L212-L283 HydrophobicContact CD2-CB 3.99Å; L212-L283 HydrophobicContact CD2-CD2 3.53Å; L212-L283 HydrophobicContact CD2-CG 4.42Å
213N86.4Confident85.7Confident57 Ų5761 Ų6131%0.30533%0.326SS..  trans-113.8175.6174.669.920.6000110.6R210 Q215 D216 Q217R210-N213 VanDerWaalsContact NH1-CG 3.29Å; R210-N213 PolarHBondContact NH1-ND2 3.01Å; N213-Q215 PolarHBondContact O-N 3.21Å; N213-Q215 WeakPolarHBondContact OD1-CA 3.46Å; N213-Q215 WeakPolarHBondContact OD1-CB 3.49Å; N213-Q215 PolarHBondContact OD1-N 3.07Å; N213-D216 PolarHBondContact N-OD2 3.05Å; N213-D216 PolarHBondContact O-N 2.92Å; N213-D216 PolarHBondContact OD1-N 3.47Å; N213-D216 PolarHBondContact OD1-OD1 3Å; N213-D216 PolarHBondContact OD1-OD2 2.88Å; N213-D216 VanDerWaalsContact OD1-OD2 3.12Å; N213-Q217 PolarHBondContact O-N 2.74Å; N213-Q217 VanDerWaalsContact O-N 3.17Å
214L86.8Confident86.3Confident80 Ų8055.4 Ų55.442%0.41930%0.3SS..Hα-helixtrans-59.8-34.7179.9-178.463.3000112.5Q217 Q218 F264L214-Q217 WeakPolarHBondContact O-CB 3.44Å; L214-Q217 PolarHBondContact O-N 3.3Å; L214-Q218 HydrophobicContact CD1-CG 4.41Å; L214-Q218 HydrophobicContact CG-CG 4.44Å; L214-Q218 WeakPolarHBondContact O-CG 3.17Å; L214-Q218 PolarHBondContact O-N 3.1Å; L214-F264 HydrophobicContact CD1-CE2 4.19Å; L214-F264 HydrophobicContact CD1-CZ 3.93Å
215Q88.4Confident87.1Confident132 Ų13254 Ų5462%0.61729%0.285SS*.Hα-helixtrans-65.3-44.3178.8-175.2176.2-5.800111.2N213 Q217 Q218 T219N213-Q215 PolarHBondContact O-N 3.21Å; N213-Q215 WeakPolarHBondContact OD1-CA 3.46Å; N213-Q215 WeakPolarHBondContact OD1-CB 3.49Å; N213-Q215 PolarHBondContact OD1-N 3.07Å; Q215-Q217 PolarHBondContact O-N 2.8Å; Q215-Q218 PolarHBondContact O-N 2.9Å; Q215-T219 WeakPolarHBondContact O-CB 3.35Å; Q215-T219 PolarHBondContact O-N 3.35Å; Q215-T219 PolarHBondContact O-OG1 2.85Å
216D89.1Confident87.8Confident4 Ų455 Ų552%0.02129%0.293CS..Hα-helixtrans-60.3-40.1175.9-54.3-34.9000111.1R210 L212 N213 F220 L299R210-D216 IonicContact CZ-OD1 2.67Å; R210-D216 IonicContact CZ-OD2 2.86Å; R210-D216 IonicContact NH1-OD1 2.79Å; R210-D216 IonicContact NH1-OD2 3.13Å; R210-D216 PolarHBondContact NH1-OD2 2.86Å; R210-D216 IonicContact NH2-OD1 3.46Å; R210-D216 PolarHBondContact NH2-OD1 2.94Å; R210-D216 IonicContact NH2-OD2 2.68Å; R210-D216 PolarHBondContact NH2-OD2 2.8Å; L212-D216 WeakPolarHBondContact CA-OD2 3.48Å; L212-D216 HydrophobicContact CD2-CB 4.01Å; N213-D216 PolarHBondContact N-OD2 3.05Å; N213-D216 PolarHBondContact O-N 2.92Å; N213-D216 PolarHBondContact OD1-N 3.47Å; N213-D216 PolarHBondContact OD1-OD1 3Å; N213-D216 PolarHBondContact OD1-OD2 2.88Å; N213-D216 VanDerWaalsContact OD1-OD2 3.12Å; D216-F220 VanDerWaalsContact O-CB 3.23Å; D216-F220 WeakPolarHBondContact O-CB 3.25Å; D216-F220 PolarHBondContact O-N 3.33Å; D216-L299 HydrophobicContact CB-CD2 3.9Å; D216-L299 WeakPolarHBondContact O-CD2 3.3Å
217Q90.9Very high88.3Confident7 Ų754.3 Ų54.33%0.03328%0.281CS..Hα-helixtrans-63.8-46.6178.3-170.8-174.96.900112N213 L214 Q215 A221 F264 L267N213-Q217 PolarHBondContact O-N 2.74Å; N213-Q217 VanDerWaalsContact O-N 3.17Å; L214-Q217 WeakPolarHBondContact O-CB 3.44Å; L214-Q217 PolarHBondContact O-N 3.3Å; Q215-Q217 PolarHBondContact O-N 2.8Å; Q217-A221 VanDerWaalsContact O-CB 3.32Å; Q217-A221 WeakPolarHBondContact O-CB 3.25Å; Q217-A221 PolarHBondContact O-N 3.16Å; Q217-F264 HydrophobicContact CB-CE2 4.33Å; Q217-F264 VanDerWaalsContact CD-CE2 3.41Å; Q217-F264 HydrophobicContact CG-CD2 3.7Å; Q217-F264 HydrophobicContact CG-CE2 3.62Å; Q217-F264 HydrophobicContact CG-CG 4.25Å; Q217-F264 HydrophobicContact CG-CZ 4.12Å; Q217-F264 VanDerWaalsContact NE2-CD1 3.34Å; Q217-F264 VanDerWaalsContact NE2-CZ 3.3Å; Q217-F264 PolarHBondContact NE2-O 3.45Å; Q217-L267 HydrophobicContact CB-CD1 4.5Å; Q217-L267 HydrophobicContact CG-CB 3.91Å; Q217-L267 HydrophobicContact CG-CD1 4.41Å
218Q89.9Confident88.8Confident45 Ų4553.6 Ų53.621%0.2128%0.277CS..Hα-helixtrans-65.3-47.1177.6-72.1176.6-900111.2L214 Q215 F220 A221 R222 F264L214-Q218 HydrophobicContact CD1-CG 4.41Å; L214-Q218 HydrophobicContact CG-CG 4.44Å; L214-Q218 WeakPolarHBondContact O-CG 3.17Å; L214-Q218 PolarHBondContact O-N 3.1Å; Q215-Q218 PolarHBondContact O-N 2.9Å; Q218-F220 VanDerWaalsContact C-N 3.33Å; Q218-F220 PolarHBondContact O-N 3.13Å; Q218-A221 PolarHBondContact O-N 3.45Å; Q218-R222 VanDerWaalsContact O-CG 3.31Å; Q218-R222 WeakPolarHBondContact O-CG 3.42Å; Q218-R222 PolarHBondContact O-N 3.37Å; Q218-F264 HydrophobicContact CG-CE2 4.02Å
219T89.4Confident89.1Confident36 Ų3654.3 Ų54.322%0.22127%0.27CS..Hα-helixtrans-59.3-45.3178-60.80000111.1Q215 A221 R222 S223 L295 D298 L299Q215-T219 WeakPolarHBondContact O-CB 3.35Å; Q215-T219 PolarHBondContact O-N 3.35Å; Q215-T219 PolarHBondContact O-OG1 2.85Å; T219-A221 PolarHBondContact O-N 3.4Å; T219-R222 PolarHBondContact O-N 3.4Å; T219-S223 PolarHBondContact O-N 3Å; T219-S223 PolarHBondContact O-OG 3.32Å; T219-L295 HydrophobicContact CG2-CD1 4.08Å; T219-D298 HydrophobicContact CG2-CB 4.15Å; T219-L299 HydrophobicContact CG2-CD2 3.79Å; T219-L299 HydrophobicContact CG2-CG 4.31Å
220F92.2Very high89.3Confident0 Ų060.4 Ų60.40%029%0.291CS..Hα-helixtrans-58.6-50174.2173.8-97.4000112.1D216 Q218 R222 S223 V224 V231 A263 L266 L267 L283 L287 L295D216-F220 VanDerWaalsContact O-CB 3.23Å; D216-F220 WeakPolarHBondContact O-CB 3.25Å; D216-F220 PolarHBondContact O-N 3.33Å; Q218-F220 VanDerWaalsContact C-N 3.33Å; Q218-F220 PolarHBondContact O-N 3.13Å; F220-R222 VanDerWaalsContact C-N 3.29Å; F220-R222 PolarHBondContact O-N 3.23Å; F220-S223 PolarHBondContact O-N 2.83Å; F220-V224 HydrophobicContact CD1-CG1 4.08Å; F220-V224 HydrophobicContact CD2-CB 4.1Å; F220-V224 HydrophobicContact CD2-CG2 4.31Å; F220-V224 HydrophobicContact CE1-CB 4.28Å; F220-V224 HydrophobicContact CE1-CG1 3.75Å; F220-V224 HydrophobicContact CE1-CG2 4.43Å; F220-V224 HydrophobicContact CE2-CB 3.8Å; F220-V224 HydrophobicContact CE2-CG1 4.19Å; F220-V224 HydrophobicContact CE2-CG2 3.55Å; F220-V224 HydrophobicContact CG-CB 4.46Å; F220-V224 HydrophobicContact CG-CG1 4.47Å; F220-V224 HydrophobicContact CZ-CB 3.92Å; F220-V224 HydrophobicContact CZ-CG1 3.82Å; F220-V224 HydrophobicContact CZ-CG2 3.65Å; F220-V224 VanDerWaalsContact O-CB 3.29Å; F220-V224 WeakPolarHBondContact O-CB 3.45Å; F220-V224 VanDerWaalsContact O-CG1 3.24Å; F220-V224 WeakPolarHBondContact O-CG1 3.42Å; F220-V224 PolarHBondContact O-N 2.92Å; F220-V231 HydrophobicContact CE2-CB 4.28Å; F220-V231 HydrophobicContact CE2-CG1 3.84Å; F220-V231 HydrophobicContact CE2-CG2 4.28Å; F220-V231 HydrophobicContact CZ-CB 4.2Å; F220-V231 HydrophobicContact CZ-CG1 3.97Å; F220-A263 HydrophobicContact CD1-CB 4.25Å; F220-A263 HydrophobicContact CE1-CB 3.94Å; F220-A263 WeakPolarHBondContact CE1-O 3.28Å; F220-L266 HydrophobicContact CE1-CD2 4.14Å; F220-L266 HydrophobicContact CZ-CD2 4.02Å; F220-L267 HydrophobicContact CB-CD1 3.44Å; F220-L267 VanDerWaalsContact CB-CD1 3.44Å; F220-L267 HydrophobicContact CD1-CD1 3.23Å; F220-L267 HydrophobicContact CD1-CD2 4.47Å; F220-L267 HydrophobicContact CD1-CG 3.52Å; F220-L267 HydrophobicContact CD2-CD1 4.15Å; F220-L267 HydrophobicContact CE1-CD1 3.95Å; F220-L267 HydrophobicContact CE1-CD2 4.4Å; F220-L267 HydrophobicContact CE1-CG 3.72Å; F220-L267 HydrophobicContact CG-CD1 3.33Å; F220-L267 HydrophobicContact CG-CG 4.06Å; F220-L267 HydrophobicContact CZ-CG 4.42Å; F220-L283 HydrophobicContact CD2-CD1 4.14Å; F220-L283 HydrophobicContact CE2-CD1 4.14Å; F220-L287 HydrophobicContact CD2-CD2 4.11Å; F220-L287 HydrophobicContact CE2-CD2 3.89Å; F220-L295 HydrophobicContact CD2-CD2 4.08Å
221A92.3Very high89.5Confident3 Ų356.7 Ų56.73%0.02528%0.277CS..Hα-helixtrans-62.9-34.6-176.600000113Q217 Q218 T219 Y260 A263 F264Q217-A221 VanDerWaalsContact O-CB 3.32Å; Q217-A221 WeakPolarHBondContact O-CB 3.25Å; Q217-A221 PolarHBondContact O-N 3.16Å; Q218-A221 PolarHBondContact O-N 3.45Å; T219-A221 PolarHBondContact O-N 3.4Å; A221-Y260 VanDerWaalsContact C-CD2 3.48Å; A221-Y260 HydrophobicContact CB-CD2 3.72Å; A221-Y260 HydrophobicContact CB-CE2 3.47Å; A221-Y260 VanDerWaalsContact CB-CE2 3.47Å; A221-Y260 HydrophobicContact CB-CG 4.37Å; A221-Y260 WeakPolarHBondContact O-CD2 3.32Å; A221-A263 HydrophobicContact CB-CB 4.21Å; A221-F264 HydrophobicContact CB-CB 3.85Å; A221-F264 HydrophobicContact CB-CD2 4.09Å; A221-F264 HydrophobicContact CB-CG 4.5Å
222R90.4Very high89.7Confident177 Ų17753.3 Ų53.367%0.66826%0.255SS*.Hα-helixtrans-67.1-36.2176.5-69.7-179.9-172.2175.13.3112.8Q218 T219 F220 Y260Q218-R222 VanDerWaalsContact O-CG 3.31Å; Q218-R222 WeakPolarHBondContact O-CG 3.42Å; Q218-R222 PolarHBondContact O-N 3.37Å; T219-R222 PolarHBondContact O-N 3.4Å; F220-R222 VanDerWaalsContact C-N 3.29Å; F220-R222 PolarHBondContact O-N 3.23Å; R222-Y260 HydrophobicContact CG-CD2 4.17Å; R222-Y260 HydrophobicContact CG-CE2 3.64Å
223S86.2Confident89.7Confident61 Ų6160.2 Ų60.243%0.42728%0.28SS..Hα-helixtrans-109.5-21.9-164.8-58.10000114.8T219 F220 L295T219-S223 PolarHBondContact O-N 3Å; T219-S223 PolarHBondContact O-OG 3.32Å; F220-S223 PolarHBondContact O-N 2.83Å; S223-L295 VanDerWaalsContact CB-CD1 3.45Å
224V90.3Very high89.9Confident5 Ų558 Ų583%0.0327%0.269CS..  trans-73.5-29.7-174.273.90000113.5F220 L226 K227 W228 V231 A263 L292 L295F220-V224 HydrophobicContact CD1-CG1 4.08Å; F220-V224 HydrophobicContact CD2-CB 4.1Å; F220-V224 HydrophobicContact CD2-CG2 4.31Å; F220-V224 HydrophobicContact CE1-CB 4.28Å; F220-V224 HydrophobicContact CE1-CG1 3.75Å; F220-V224 HydrophobicContact CE1-CG2 4.43Å; F220-V224 HydrophobicContact CE2-CB 3.8Å; F220-V224 HydrophobicContact CE2-CG1 4.19Å; F220-V224 HydrophobicContact CE2-CG2 3.55Å; F220-V224 HydrophobicContact CG-CB 4.46Å; F220-V224 HydrophobicContact CG-CG1 4.47Å; F220-V224 HydrophobicContact CZ-CB 3.92Å; F220-V224 HydrophobicContact CZ-CG1 3.82Å; F220-V224 HydrophobicContact CZ-CG2 3.65Å; F220-V224 VanDerWaalsContact O-CB 3.29Å; F220-V224 WeakPolarHBondContact O-CB 3.45Å; F220-V224 VanDerWaalsContact O-CG1 3.24Å; F220-V224 WeakPolarHBondContact O-CG1 3.42Å; F220-V224 PolarHBondContact O-N 2.92Å; V224-L226 PolarHBondContact O-N 3.34Å; V224-K227 HydrophobicContact CG2-CB 4.22Å; V224-K227 WeakPolarHBondContact O-CB 3.46Å; V224-K227 PolarHBondContact O-N 2.91Å; V224-K227 VanDerWaalsContact O-N 3.12Å; V224-W228 HydrophobicContact CG1-CB 3.77Å; V224-W228 HydrophobicContact CG2-CB 4.22Å; V224-V231 HydrophobicContact CG2-CG2 4Å; V224-A263 HydrophobicContact CG1-CB 3.3Å; V224-L292 HydrophobicContact CG2-CD1 3.8Å; V224-L295 HydrophobicContact CB-CD2 4.09Å
225G89.4Confident90.1Very high27 Ų2754.3 Ų54.328%0.27825%0.25SC..G310 helixtrans48.9-137.9-178.300000113.2K227 W228G225-K227 PolarHBondContact O-N 3.2Å; G225-W228 PolarHBondContact O-N 3.46Å
226L88.6Confident90.1Very high137 Ų13749.4 Ų49.472%0.71723%0.227SC*.G310 helixtrans-60.1-17.6-179.8-70.4167.9000114.5V224 W228 L259V224-L226 PolarHBondContact O-N 3.34Å; L226-W228 PolarHBondContact O-N 2.82Å; L226-L259 HydrophobicContact CD2-CD1 3.68Å; L226-L259 HydrophobicContact CD2-CD2 3.55Å; L226-L259 HydrophobicContact CD2-CG 4.27Å; L226-L259 HydrophobicContact CG-CD1 3.71Å; L226-L259 HydrophobicContact CG-CD2 4.35Å
227K90.6Very high89.9Confident71 Ų7157.3 Ų57.331%0.30926%0.256SS..G310 helixtrans-76.3-6.2-178.6-64.4179.6175.5-172.20112.7V224 G225 R229 R230 V231 L292V224-K227 HydrophobicContact CG2-CB 4.22Å; V224-K227 WeakPolarHBondContact O-CB 3.46Å; V224-K227 PolarHBondContact O-N 2.91Å; V224-K227 VanDerWaalsContact O-N 3.12Å; G225-K227 PolarHBondContact O-N 3.2Å; K227-R229 PolarHBondContact O-N 3.38Å; K227-R229 VanDerWaalsContact O-N 3.13Å; K227-R230 PolarHBondContact O-N 2.98Å; K227-V231 PolarHBondContact O-N 3.25Å; K227-L292 HydrophobicContact CB-CD1 4.06Å; K227-L292 HydrophobicContact CD-CD1 4.07Å; K227-L292 HydrophobicContact CD-CD2 3.76Å; K227-L292 HydrophobicContact CD-CG 3.97Å
228W91.6Very high89.3Confident1 Ų159.8 Ų59.80%0.00427%0.274CS..Hα-helixtrans-53.9-36.6178.476.6-103.8000112.3V224 G225 L226 R230 V231 G232 L247 L250 A251 Q262 A263 L266V224-W228 HydrophobicContact CG1-CB 3.77Å; V224-W228 HydrophobicContact CG2-CB 4.22Å; G225-W228 PolarHBondContact O-N 3.46Å; L226-W228 PolarHBondContact O-N 2.82Å; W228-R230 VanDerWaalsContact C-N 3.35Å; W228-R230 PolarHBondContact O-N 3.15Å; W228-V231 PolarHBondContact O-N 2.82Å; W228-G232 PolarHBondContact O-N 2.62Å; W228-L247 HydrophobicContact CZ3-CD2 4.33Å; W228-L250 HydrophobicContact CH2-CB 4.13Å; W228-L250 HydrophobicContact CZ3-CB 4.37Å; W228-A251 HydrophobicContact CH2-CB 4.06Å; W228-A251 HydrophobicContact CZ2-CB 4.07Å; W228-Q262 HydrophobicContact CD2-CB 4.2Å; W228-Q262 HydrophobicContact CH2-CB 4.39Å; W228-Q262 HydrophobicContact CZ2-CB 3.71Å; W228-Q262 HydrophobicContact CZ2-CG 4.09Å; W228-A263 HydrophobicContact CB-CB 3.83Å; W228-A263 HydrophobicContact CG-CB 4.35Å; W228-L266 HydrophobicContact CE3-CB 4.17Å; W228-L266 HydrophobicContact CE3-CD1 4.33Å; W228-L266 HydrophobicContact CE3-CD2 4.18Å; W228-L266 HydrophobicContact CE3-CG 4.46Å; W228-L266 HydrophobicContact CZ3-CD1 4.38Å; W228-L266 WeakPolarHBondContact O-CD2 3.47Å
229R89.9Confident89Confident106 Ų10657.7 Ų57.740%0.426%0.264SS..Hα-helixtrans-64.6-38.6177-65.7-173.5-175.6-128.613.1112.4K227 G232 R233 D248K227-R229 PolarHBondContact O-N 3.38Å; K227-R229 VanDerWaalsContact O-N 3.13Å; R229-G232 PolarHBondContact O-N 3.22Å; R229-R233 WeakPolarHBondContact O-CG 3.25Å; R229-R233 PolarHBondContact O-N 3.4Å; R229-D248 IonicContact NH1-OD1 2.68Å
230R90.3Very high88.8Confident159 Ų15965.7 Ų65.760%0.629%0.291SS*.Hα-helixtrans-71.3-43.5179.7-56.4-173.9178.4-178.3-0.1110.7K227 W228 G232 R233 S234 N290K227-R230 PolarHBondContact O-N 2.98Å; W228-R230 VanDerWaalsContact C-N 3.35Å; W228-R230 PolarHBondContact O-N 3.15Å; R230-G232 VanDerWaalsContact C-N 3.3Å; R230-G232 PolarHBondContact O-N 3.43Å; R230-R233 WeakPolarHBondContact O-CB 3.37Å; R230-R233 PolarHBondContact O-N 3.47Å; R230-R233 VanDerWaalsContact O-N 3.13Å; R230-S234 PolarHBondContact O-N 3.24Å; R230-N290 WeakPolarHBondContact CB-OD1 3.4Å
231V91.4Very high88.4Confident0 Ų067.9 Ų67.90%031%0.309CS..Hα-helixtrans-59.6-43.3171.8-179.60000110.7F220 V224 K227 W228 R233 S234 L235 L283 A286 L287 N290 L292F220-V231 HydrophobicContact CE2-CB 4.28Å; F220-V231 HydrophobicContact CE2-CG1 3.84Å; F220-V231 HydrophobicContact CE2-CG2 4.28Å; F220-V231 HydrophobicContact CZ-CB 4.2Å; F220-V231 HydrophobicContact CZ-CG1 3.97Å; V224-V231 HydrophobicContact CG2-CG2 4Å; K227-V231 PolarHBondContact O-N 3.25Å; W228-V231 PolarHBondContact O-N 2.82Å; V231-R233 VanDerWaalsContact C-N 3.31Å; V231-R233 PolarHBondContact O-N 3.31Å; V231-S234 WeakPolarHBondContact O-CB 3.41Å; V231-S234 PolarHBondContact O-N 3.06Å; V231-S234 VanDerWaalsContact O-N 3.08Å; V231-L235 HydrophobicContact CG1-CD1 4.05Å; V231-L235 HydrophobicContact CG1-CG 4.33Å; V231-L235 WeakPolarHBondContact O-CG 3.38Å; V231-L235 PolarHBondContact O-N 2.87Å; V231-L283 HydrophobicContact CG1-CD1 4.36Å; V231-A286 HydrophobicContact CG1-CB 4.12Å; V231-L287 HydrophobicContact CG1-CD2 4.48Å; V231-L287 HydrophobicContact CG2-CD2 4.04Å; V231-N290 HydrophobicContact CG2-CB 4.14Å; V231-L292 HydrophobicContact CG2-CD1 3.78Å
232G90.2Very high88.1Confident0 Ų067.8 Ų67.80%031%0.308CS..Hα-helixtrans-56-43174.300000112.7W228 R229 R230 L235 Q236W228-G232 PolarHBondContact O-N 2.62Å; R229-G232 PolarHBondContact O-N 3.22Å; R230-G232 VanDerWaalsContact C-N 3.3Å; R230-G232 PolarHBondContact O-N 3.43Å; G232-L235 CarbonylContact O-C 3.57Å; G232-L235 PolarHBondContact O-N 3.26Å; G232-Q236 VanDerWaalsContact O-CG 3.31Å; G232-Q236 WeakPolarHBondContact O-CG 3.38Å; G232-Q236 PolarHBondContact O-N 2.97Å
233R90.4Very high87.9Confident156 Ų15666.4 Ų66.459%0.58930%0.302SS*.Hα-helixtrans-66.4-33175-72-175.4-179.1-171.90.4113.7R229 R230 V231 Q236 L247R229-R233 WeakPolarHBondContact O-CG 3.25Å; R229-R233 PolarHBondContact O-N 3.4Å; R230-R233 WeakPolarHBondContact O-CB 3.37Å; R230-R233 PolarHBondContact O-N 3.47Å; R230-R233 VanDerWaalsContact O-N 3.13Å; V231-R233 VanDerWaalsContact C-N 3.31Å; V231-R233 PolarHBondContact O-N 3.31Å; R233-Q236 WeakPolarHBondContact O-CB 3.08Å; R233-L247 HydrophobicContact CG-CD1 3.77Å
234S90.6Very high87.5Confident12 Ų1268 Ų688%0.08431%0.306CS..Hα-helixtrans-67-44.3170.7-730000111.1R230 V231 Q236 R237 E289 N290R230-S234 PolarHBondContact O-N 3.24Å; V231-S234 WeakPolarHBondContact O-CB 3.41Å; V231-S234 PolarHBondContact O-N 3.06Å; V231-S234 VanDerWaalsContact O-N 3.08Å; S234-Q236 VanDerWaalsContact C-N 3.31Å; S234-Q236 PolarHBondContact O-N 2.94Å; S234-R237 PolarHBondContact O-N 2.98Å; S234-E289 WeakPolarHBondContact CB-OE2 3.32Å; S234-E289 PolarHBondContact OG-OE2 2.76Å; S234-N290 PolarHBondContact OG-ND2 2.87Å
235L89.9Confident87.2Confident2 Ų272.2 Ų72.21%0.0133%0.334CS..Hα-helixtrans-67.4-27.7177.5-66.1174.5000113V231 G232 R237 S238 C239 L242 L267 F270 L283 A286V231-L235 HydrophobicContact CG1-CD1 4.05Å; V231-L235 HydrophobicContact CG1-CG 4.33Å; V231-L235 WeakPolarHBondContact O-CG 3.38Å; V231-L235 PolarHBondContact O-N 2.87Å; G232-L235 CarbonylContact O-C 3.57Å; G232-L235 PolarHBondContact O-N 3.26Å; L235-R237 PolarHBondContact O-N 3.26Å; L235-S238 CarbonylContact O-C 3.59Å; L235-S238 PolarHBondContact O-N 3.31Å; L235-S238 PolarHBondContact O-OG 3.16Å; L235-C239 WeakPolarHBondContact O-CB 3.36Å; L235-C239 PolarHBondContact O-N 3.23Å; L235-L242 HydrophobicContact CB-CD1 3.6Å; L235-L242 HydrophobicContact CD1-CD1 4.38Å; L235-L267 HydrophobicContact CD1-CD2 4.17Å; L235-F270 HydrophobicContact CD2-CE1 4.48Å; L235-F270 HydrophobicContact CD2-CE2 4.08Å; L235-F270 HydrophobicContact CD2-CZ 4.02Å; L235-L283 HydrophobicContact CD1-CD1 4.46Å; L235-A286 HydrophobicContact CD2-CB 3.68Å; L235-A286 HydrophobicContact CG-CB 3.91Å
236Q88.2Confident87Confident28 Ų2871.5 Ų71.513%0.13133%0.325CS..THydrogen-bonded Turntrans-55.9-29173.5-82.1178.6-18.600113.8G232 R233 S234 S238 L242 D244 L247G232-Q236 VanDerWaalsContact O-CG 3.31Å; G232-Q236 WeakPolarHBondContact O-CG 3.38Å; G232-Q236 PolarHBondContact O-N 2.97Å; R233-Q236 WeakPolarHBondContact O-CB 3.08Å; S234-Q236 VanDerWaalsContact C-N 3.31Å; S234-Q236 PolarHBondContact O-N 2.94Å; Q236-S238 PolarHBondContact O-N 3.46Å; Q236-L242 HydrophobicContact CG-CB 3.86Å; Q236-L242 WeakPolarHBondContact CG-O 3.27Å; Q236-L242 PolarHBondContact NE2-O 3.32Å; Q236-D244 PolarHBondContact NE2-OD1 3.28Å; Q236-L247 HydrophobicContact CG-CD1 4.26Å
237R85.3Confident87Confident171 Ų17165.2 Ų65.265%0.64529%0.292SS*.THydrogen-bonded Turntrans-65.8-34178.2-59-165.7-162.894.12.1111.6S234 L235 E289S234-R237 PolarHBondContact O-N 2.98Å; L235-R237 PolarHBondContact O-N 3.26Å; R237-E289 IonicContact CZ-OE2 3.73Å; R237-E289 IonicContact NH1-OE1 3.96Å; R237-E289 PolarHBondContact NH1-OE1 2.9Å; R237-E289 IonicContact NH1-OE2 3.6Å; R237-E289 PolarHBondContact NH1-OE2 3.41Å; R237-E289 IonicContact NH2-OE2 3.57Å
238S77.9Confident86.9Confident59 Ų5966 Ų6641%0.41330%0.3SS..THydrogen-bonded Turntrans-103-19.6-176.867.80000112.9L235 Q236 R282L235-S238 CarbonylContact O-C 3.59Å; L235-S238 PolarHBondContact O-N 3.31Å; L235-S238 PolarHBondContact O-OG 3.16Å; Q236-S238 PolarHBondContact O-N 3.46Å; S238-R282 PolarHBondContact O-NH2 3.33Å; S238-R282 PolarHBondContact OG-NE 2.91Å; S238-R282 PolarHBondContact OG-NH2 3.3Å
239C84.4Confident86.8Confident0 Ų068 Ų680%031%0.314CS..  trans-123.3116.1-179.4-174.70000112.8L235 A241 L242 F270 E274L235-C239 WeakPolarHBondContact O-CB 3.36Å; L235-C239 PolarHBondContact O-N 3.23Å; C239-A241 VanDerWaalsContact C-N 3.33Å; C239-A241 PolarHBondContact O-N 3.12Å; C239-L242 HydrophobicContact CB-CD1 4.17Å; C239-L242 HydrophobicContact CB-CG 4.23Å; C239-L242 PolarHBondContact O-N 2.89Å; C239-F270 HydrophobicContact CB-CD2 3.72Å; C239-F270 HydrophobicContact CB-CE2 3.8Å; C239-E274 VanDerWaalsContact CA-OE1 3.31Å; C239-E274 WeakPolarHBondContact CA-OE1 3.29Å; C239-E274 HydrophobicContact CB-CG 4.07Å; C239-E274 PolarHBondContact SG-OE1 3.39Å; C239-E274 VanDerWaalsContact SG-OE1 3.33Å
240R84.9Confident86.7Confident205 Ų20563 Ų6377%0.77430%0.295SS*.G310 helixtrans-67.7-30.9-179.9-68.6-172.9179.1-167.70.6113.3L242 R243R240-L242 PolarHBondContact O-N 2.96Å; R240-R243 WeakPolarHBondContact O-CB 3.45Å; R240-R243 PolarHBondContact O-N 3.14Å; R240-R243 VanDerWaalsContact O-N 3.17Å
241A83.2Confident86.6Confident46 Ų4655.7 Ų55.738%0.3827%0.269SS..G310 helixtrans-71.4-15.3-17800000113.6C239 A246 A273C239-A241 VanDerWaalsContact C-N 3.33Å; C239-A241 PolarHBondContact O-N 3.12Å; A241-A246 VanDerWaalsContact O-CB 3.29Å; A241-A246 WeakPolarHBondContact O-CB 3.32Å; A241-A273 HydrophobicContact CB-CB 3.25Å
242L86.7Confident86.6Confident0 Ų064.5 Ų64.50%030%0.303CS..G310 helixtrans-90.9-6.7174.5-64.5-178.4000112.9L235 Q236 C239 R240 L266 R269 F270L235-L242 HydrophobicContact CB-CD1 3.6Å; L235-L242 HydrophobicContact CD1-CD1 4.38Å; Q236-L242 HydrophobicContact CG-CB 3.86Å; Q236-L242 WeakPolarHBondContact CG-O 3.27Å; Q236-L242 PolarHBondContact NE2-O 3.32Å; C239-L242 HydrophobicContact CB-CD1 4.17Å; C239-L242 HydrophobicContact CB-CG 4.23Å; C239-L242 PolarHBondContact O-N 2.89Å; R240-L242 PolarHBondContact O-N 2.96Å; L242-L266 HydrophobicContact CD1-CD1 4.26Å; L242-L266 HydrophobicContact CD2-CD1 3.92Å; L242-R269 HydrophobicContact CD2-CB 4.17Å; L242-R269 HydrophobicContact CD2-CG 4.03Å; L242-F270 HydrophobicContact CD1-CB 4.12Å; L242-F270 HydrophobicContact CD1-CD2 3.89Å; L242-F270 HydrophobicContact CD1-CG 4.4Å
243R86.2Confident86.5Confident148 Ų14869.3 Ų69.356%0.55833%0.326SS*.SBendtrans-61.5150.6-179.7-76.8-175174.8-171.5-3.8111.5R240 A246R240-R243 WeakPolarHBondContact O-CB 3.45Å; R240-R243 PolarHBondContact O-N 3.14Å; R240-R243 VanDerWaalsContact O-N 3.17Å; R243-A246 WeakPolarHBondContact O-CB 3.45Å; R243-A246 PolarHBondContact O-N 3.35Å
244D78.8Confident86.4Confident96 Ų9664.7 Ų64.751%0.51331%0.309SS..THydrogen-bonded Turntrans-52.6135.3177.2-57.8-22.8000110.5Q236Q236-D244 PolarHBondContact NE2-OD1 3.28Å
245P82.3Confident86.3Confident93 Ų9370.5 Ų70.560%0.60434%0.335SS*.THydrogen-bonded Turncis-89.610.314.136.2-36.6000115.3L247 D248 S249P245-L247 VanDerWaalsContact C-N 3.31Å; P245-L247 PolarHBondContact O-N 3.45Å; P245-L247 VanDerWaalsContact O-N 3.15Å; P245-D248 PolarHBondContact O-N 2.83Å; P245-S249 PolarHBondContact O-N 3.48Å; P245-S249 PolarHBondContact O-OG 3.38Å
246A85.5Confident86Confident12 Ų1282 Ų8210%0.09938%0.378CS..Hα-helixtrans-57-37.5-167.900000114.7A241 R243 L250 R269A241-A246 VanDerWaalsContact O-CB 3.29Å; A241-A246 WeakPolarHBondContact O-CB 3.32Å; R243-A246 WeakPolarHBondContact O-CB 3.45Å; R243-A246 PolarHBondContact O-N 3.35Å; A246-L250 WeakPolarHBondContact O-CG 3.31Å; A246-L250 PolarHBondContact O-N 3.21Å; A246-R269 PolarHBondContact O-NH1 3.23Å
247L88Confident85.9Confident4 Ų485.7 Ų85.72%0.02140%0.398CS..Hα-helixtrans-70.3-37.3177.1-62.2-175.5000112.4W228 R233 Q236 P245 L250 A251 L266W228-L247 HydrophobicContact CZ3-CD2 4.33Å; R233-L247 HydrophobicContact CG-CD1 3.77Å; Q236-L247 HydrophobicContact CG-CD1 4.26Å; P245-L247 VanDerWaalsContact C-N 3.31Å; P245-L247 PolarHBondContact O-N 3.45Å; P245-L247 VanDerWaalsContact O-N 3.15Å; L247-L250 PolarHBondContact O-N 2.98Å; L247-A251 WeakPolarHBondContact O-CB 3.45Å; L247-A251 PolarHBondContact O-N 2.93Å; L247-L266 HydrophobicContact CD2-CD1 3.39Å
248D88.9Confident86.1Confident88 Ų8878.9 Ų78.947%0.47138%0.381SS..Hα-helixtrans-73-35.5177.6-65.4-37.1000111.1R229 P245 A251 Y252R229-D248 IonicContact NH1-OD1 2.68Å; P245-D248 PolarHBondContact O-N 2.83Å; D248-A251 WeakPolarHBondContact O-CB 3.48Å; D248-A251 PolarHBondContact O-N 3.41Å; D248-Y252 WeakPolarHBondContact O-CB 3.28Å; D248-Y252 PolarHBondContact O-N 3.45Å
249S89.4Confident86.6Confident42 Ų4279.3 Ų79.329%0.29438%0.379SS..Hα-helixtrans-61.5-47.9170.4-59.10000111.4P245 A251 Y252 E253P245-S249 PolarHBondContact O-N 3.48Å; P245-S249 PolarHBondContact O-OG 3.38Å; S249-A251 VanDerWaalsContact C-N 3.29Å; S249-A251 PolarHBondContact O-N 3.12Å; S249-Y252 PolarHBondContact O-N 3.49Å; S249-E253 VanDerWaalsContact O-CB 3.29Å; S249-E253 WeakPolarHBondContact O-CB 3.16Å; S249-E253 VanDerWaalsContact O-CG 3.24Å; S249-E253 WeakPolarHBondContact O-CG 3.32Å; S249-E253 PolarHBondContact O-N 3.27Å
250L88.4Confident87Confident1 Ų183.5 Ų83.51%0.00540%0.395CS..Hα-helixtrans-60.2-40.9175.8-76.1173.1000112W228 A246 L247 Y252 Y254 Q265 L266W228-L250 HydrophobicContact CH2-CB 4.13Å; W228-L250 HydrophobicContact CZ3-CB 4.37Å; A246-L250 WeakPolarHBondContact O-CG 3.31Å; A246-L250 PolarHBondContact O-N 3.21Å; L247-L250 PolarHBondContact O-N 2.98Å; L250-Y252 VanDerWaalsContact C-N 3.34Å; L250-Y252 PolarHBondContact O-N 3.48Å; L250-Y254 HydrophobicContact CD2-CD2 3.99Å; L250-Y254 HydrophobicContact CD2-CE2 3.78Å; L250-Y254 WeakPolarHBondContact O-CD2 3.47Å; L250-Y254 PolarHBondContact O-N 2.86Å; L250-Y254 VanDerWaalsContact O-N 3.12Å; L250-Q265 HydrophobicContact CD2-CB 3.87Å; L250-L266 HydrophobicContact CD1-CB 4.42Å; L250-L266 HydrophobicContact CD1-CD1 4.27Å
251A88.3Confident87.3Confident6 Ų675.5 Ų75.55%0.0537%0.366CS..Hα-helixtrans-61.5-43177.100000112.4W228 L247 D248 S249 E255 Q262W228-A251 HydrophobicContact CH2-CB 4.06Å; W228-A251 HydrophobicContact CZ2-CB 4.07Å; L247-A251 WeakPolarHBondContact O-CB 3.45Å; L247-A251 PolarHBondContact O-N 2.93Å; D248-A251 WeakPolarHBondContact O-CB 3.48Å; D248-A251 PolarHBondContact O-N 3.41Å; S249-A251 VanDerWaalsContact C-N 3.29Å; S249-A251 PolarHBondContact O-N 3.12Å; A251-E255 WeakPolarHBondContact O-CA 3.44Å; A251-E255 VanDerWaalsContact O-CB 3.3Å; A251-E255 WeakPolarHBondContact O-CB 3.28Å; A251-E255 PolarHBondContact O-N 3.25Å; A251-Q262 PolarHBondContact O-NE2 3.24Å; A251-Q262 VanDerWaalsContact O-NE2 3.07Å
252Y90.4Very high87.7Confident186 Ų18673.7 Ų73.773%0.72935%0.35SS*.Hα-helixtrans-74.2-45-179.6-179.6-98.1000112.4D248 S249 L250 Y254D248-Y252 WeakPolarHBondContact O-CB 3.28Å; D248-Y252 PolarHBondContact O-N 3.45Å; S249-Y252 PolarHBondContact O-N 3.49Å; L250-Y252 VanDerWaalsContact C-N 3.34Å; L250-Y252 PolarHBondContact O-N 3.48Å; Y252-Y254 PolarHBondContact O-N 2.87Å
253E89Confident88Confident101 Ų10173.7 Ų73.747%0.47235%0.35SS..Hα-helixtrans-61.4-44.1-178.7-74.9166-162.800111.7S249 R269S249-E253 VanDerWaalsContact O-CB 3.29Å; S249-E253 WeakPolarHBondContact O-CB 3.16Å; S249-E253 VanDerWaalsContact O-CG 3.24Å; S249-E253 WeakPolarHBondContact O-CG 3.32Å; S249-E253 PolarHBondContact O-N 3.27Å; E253-R269 IonicContact OE2-NH2 3.41Å
254Y88.6Confident88.3Confident58 Ų5868 Ų6823%0.22733%0.33CS..THydrogen-bonded Turntrans-109.219-172.7-58.3-80.8000113.2L250 Y252 R256 D257 G258 E261 Q262 Q265L250-Y254 HydrophobicContact CD2-CD2 3.99Å; L250-Y254 HydrophobicContact CD2-CE2 3.78Å; L250-Y254 WeakPolarHBondContact O-CD2 3.47Å; L250-Y254 PolarHBondContact O-N 2.86Å; L250-Y254 VanDerWaalsContact O-N 3.12Å; Y252-Y254 PolarHBondContact O-N 2.87Å; Y254-R256 PolarHBondContact O-N 3.06Å; Y254-D257 WeakPolarHBondContact CD1-OD2 3.46Å; Y254-D257 PolarHBondContact O-N 3.07Å; Y254-G258 PolarHBondContact O-N 2.96Å; Y254-E261 HydrophobicContact CD1-CG 3.74Å; Y254-E261 HydrophobicContact CE1-CG 4.46Å; Y254-E261 HydrophobicContact CG-CG 4.34Å; Y254-Q262 WeakPolarHBondContact O-CG 3.3Å; Y254-Q265 HydrophobicContact CD1-CG 3.9Å; Y254-Q265 HydrophobicContact CD2-CB 4.09Å; Y254-Q265 HydrophobicContact CD2-CG 3.9Å; Y254-Q265 HydrophobicContact CE1-CG 3.72Å; Y254-Q265 HydrophobicContact CE2-CB 4.01Å; Y254-Q265 HydrophobicContact CE2-CG 3.75Å; Y254-Q265 HydrophobicContact CG-CG 3.98Å
255E87.1Confident88.9Confident135 Ų13564.4 Ų64.463%0.63131%0.31SS*.THydrogen-bonded Turntrans-58.5-38.1176.1-165.3173.8-17200112.3A251A251-E255 WeakPolarHBondContact O-CA 3.44Å; A251-E255 VanDerWaalsContact O-CB 3.3Å; A251-E255 WeakPolarHBondContact O-CB 3.28Å; A251-E255 PolarHBondContact O-N 3.25Å
256R85.1Confident89.5Confident244 Ų24460 Ų6092%0.92128%0.281SS*.THydrogen-bonded Turntrans-75.9-25.5-176.1-65.7-166.3167.5-159.9-3.8113.6Y254Y254-R256 PolarHBondContact O-N 3.06Å
257D86.1Confident89.8Confident104 Ų10459.4 Ų59.456%0.55628%0.276SS*.THydrogen-bonded Turntrans-86.6-15.5-178.7-53.2-49.3000112.1Y254 E261Y254-D257 WeakPolarHBondContact CD1-OD2 3.46Å; Y254-D257 PolarHBondContact O-N 3.07Å; D257-E261 HydrophobicContact CB-CB 3.58Å; D257-E261 HydrophobicContact CB-CG 3.67Å
258G88.8Confident89.9Confident28 Ų2861.5 Ų61.529%0.28929%0.287SS..  trans96.7177.7172.100000114.4Y254 Y260 E261 Q262Y254-G258 PolarHBondContact O-N 2.96Å; G258-Y260 VanDerWaalsContact C-N 3.28Å; G258-Y260 PolarHBondContact O-N 3.36Å; G258-E261 PolarHBondContact O-N 3.02Å; G258-Q262 WeakPolarHBondContact O-CG 3.36Å; G258-Q262 PolarHBondContact O-N 3.33Å; G258-Q262 VanDerWaalsContact O-N 3.13Å
259L89.6Confident90Very high69 Ų6960.2 Ų60.236%0.36128%0.276SS..Hα-helixtrans-64.2-32.4-171.4-63.7176000113.5L226 A263L226-L259 HydrophobicContact CD2-CD1 3.68Å; L226-L259 HydrophobicContact CD2-CD2 3.55Å; L226-L259 HydrophobicContact CD2-CG 4.27Å; L226-L259 HydrophobicContact CG-CD1 3.71Å; L226-L259 HydrophobicContact CG-CD2 4.35Å; L259-A263 WeakPolarHBondContact O-CB 3.48Å; L259-A263 PolarHBondContact O-N 2.96Å
260Y92.1Very high90.1Very high88 Ų8858.2 Ų58.235%0.34526%0.262SS..Hα-helixtrans-58.8-52175.2175.4-92000110.5A221 R222 G258 Q262 A263 F264A221-Y260 VanDerWaalsContact C-CD2 3.48Å; A221-Y260 HydrophobicContact CB-CD2 3.72Å; A221-Y260 HydrophobicContact CB-CE2 3.47Å; A221-Y260 VanDerWaalsContact CB-CE2 3.47Å; A221-Y260 HydrophobicContact CB-CG 4.37Å; A221-Y260 WeakPolarHBondContact O-CD2 3.32Å; R222-Y260 HydrophobicContact CG-CD2 4.17Å; R222-Y260 HydrophobicContact CG-CE2 3.64Å; G258-Y260 VanDerWaalsContact C-N 3.28Å; G258-Y260 PolarHBondContact O-N 3.36Å; Y260-Q262 PolarHBondContact O-N 2.84Å; Y260-A263 PolarHBondContact O-N 3.49Å; Y260-F264 WeakPolarHBondContact O-CB 3.19Å; Y260-F264 PolarHBondContact O-N 3.42Å
261E91.4Very high90.1Very high36 Ų3660.3 Ų60.317%0.16827%0.272CS..Hα-helixtrans-66.1-41.6-177.4-166.959.2-15000111.1Y254 D257 G258 A263 F264 Q265Y254-E261 HydrophobicContact CD1-CG 3.74Å; Y254-E261 HydrophobicContact CE1-CG 4.46Å; Y254-E261 HydrophobicContact CG-CG 4.34Å; D257-E261 HydrophobicContact CB-CB 3.58Å; D257-E261 HydrophobicContact CB-CG 3.67Å; G258-E261 PolarHBondContact O-N 3.02Å; E261-A263 VanDerWaalsContact C-N 3.32Å; E261-A263 PolarHBondContact O-N 3Å; E261-F264 WeakPolarHBondContact O-CB 3.34Å; E261-F264 PolarHBondContact O-N 2.78Å; E261-Q265 HydrophobicContact CG-CG 4.18Å; E261-Q265 WeakPolarHBondContact O-CB 3.27Å; E261-Q265 WeakPolarHBondContact O-CG 3.44Å; E261-Q265 PolarHBondContact O-N 3.35Å; E261-Q265 PolarHBondContact OE1-NE2 3.18Å
262Q90.9Very high90.1Very high8 Ų866.8 Ų66.84%0.03730%0.301CS..Hα-helixtrans-57.2-43.8174.8-69.6179.2-13.300112.9W228 A251 Y254 G258 Y260 L266W228-Q262 HydrophobicContact CD2-CB 4.2Å; W228-Q262 HydrophobicContact CH2-CB 4.39Å; W228-Q262 HydrophobicContact CZ2-CB 3.71Å; W228-Q262 HydrophobicContact CZ2-CG 4.09Å; A251-Q262 PolarHBondContact O-NE2 3.24Å; A251-Q262 VanDerWaalsContact O-NE2 3.07Å; Y254-Q262 WeakPolarHBondContact O-CG 3.3Å; G258-Q262 WeakPolarHBondContact O-CG 3.36Å; G258-Q262 PolarHBondContact O-N 3.33Å; G258-Q262 VanDerWaalsContact O-N 3.13Å; Y260-Q262 PolarHBondContact O-N 2.84Å; Q262-L266 PolarHBondContact O-N 2.83Å
263A92.8Very high89.9Confident0 Ų060.2 Ų60.20%029%0.285CS..Hα-helixtrans-68.4-39.7176.800000112.4F220 A221 V224 W228 L259 Y260 E261 L266 L267F220-A263 HydrophobicContact CD1-CB 4.25Å; F220-A263 HydrophobicContact CE1-CB 3.94Å; F220-A263 WeakPolarHBondContact CE1-O 3.28Å; A221-A263 HydrophobicContact CB-CB 4.21Å; V224-A263 HydrophobicContact CG1-CB 3.3Å; W228-A263 HydrophobicContact CB-CB 3.83Å; W228-A263 HydrophobicContact CG-CB 4.35Å; L259-A263 WeakPolarHBondContact O-CB 3.48Å; L259-A263 PolarHBondContact O-N 2.96Å; Y260-A263 PolarHBondContact O-N 3.49Å; E261-A263 VanDerWaalsContact C-N 3.32Å; E261-A263 PolarHBondContact O-N 3Å; A263-L266 WeakPolarHBondContact O-CB 3.45Å; A263-L266 PolarHBondContact O-N 3.35Å; A263-L267 PolarHBondContact O-N 3.13Å
264F92.3Very high89.7Confident30 Ų3057.1 Ų57.113%0.13227%0.271CS..Hα-helixtrans-62.2-46.6176.7-169.9-91.1000111.2L214 Q217 Q218 A221 Y260 E261 L266 L267 L268L214-F264 HydrophobicContact CD1-CE2 4.19Å; L214-F264 HydrophobicContact CD1-CZ 3.93Å; Q217-F264 HydrophobicContact CB-CE2 4.33Å; Q217-F264 VanDerWaalsContact CD-CE2 3.41Å; Q217-F264 HydrophobicContact CG-CD2 3.7Å; Q217-F264 HydrophobicContact CG-CE2 3.62Å; Q217-F264 HydrophobicContact CG-CG 4.25Å; Q217-F264 HydrophobicContact CG-CZ 4.12Å; Q217-F264 VanDerWaalsContact NE2-CD1 3.34Å; Q217-F264 VanDerWaalsContact NE2-CZ 3.3Å; Q217-F264 PolarHBondContact NE2-O 3.45Å; Q218-F264 HydrophobicContact CG-CE2 4.02Å; A221-F264 HydrophobicContact CB-CB 3.85Å; A221-F264 HydrophobicContact CB-CD2 4.09Å; A221-F264 HydrophobicContact CB-CG 4.5Å; Y260-F264 WeakPolarHBondContact O-CB 3.19Å; Y260-F264 PolarHBondContact O-N 3.42Å; E261-F264 WeakPolarHBondContact O-CB 3.34Å; E261-F264 PolarHBondContact O-N 2.78Å; F264-L266 PolarHBondContact O-N 2.89Å; F264-L267 PolarHBondContact O-N 3.08Å; F264-L268 PolarHBondContact O-N 3.26Å
265Q92.3Very high89.5Confident19 Ų1956.2 Ų56.29%0.08928%0.28CS..Hα-helixtrans-68.4-32.2-179.9-66.8-67.6-16.900112.7L250 Y254 E261 L268 R269L250-Q265 HydrophobicContact CD2-CB 3.87Å; Y254-Q265 HydrophobicContact CD1-CG 3.9Å; Y254-Q265 HydrophobicContact CD2-CB 4.09Å; Y254-Q265 HydrophobicContact CD2-CG 3.9Å; Y254-Q265 HydrophobicContact CE1-CG 3.72Å; Y254-Q265 HydrophobicContact CE2-CB 4.01Å; Y254-Q265 HydrophobicContact CE2-CG 3.75Å; Y254-Q265 HydrophobicContact CG-CG 3.98Å; E261-Q265 HydrophobicContact CG-CG 4.18Å; E261-Q265 WeakPolarHBondContact O-CB 3.27Å; E261-Q265 WeakPolarHBondContact O-CG 3.44Å; E261-Q265 PolarHBondContact O-N 3.35Å; E261-Q265 PolarHBondContact OE1-NE2 3.18Å; Q265-L268 PolarHBondContact O-N 2.69Å; Q265-R269 WeakPolarHBondContact O-CB 3.26Å; Q265-R269 PolarHBondContact O-N 3.17Å
266L93.6Very high89.1Confident0 Ų060.6 Ų60.60%029%0.29CS..Hα-helixtrans-56.1-53.3170.9176.276.5000111.2F220 W228 L242 L247 L250 Q262 A263 F264 R269 F270F220-L266 HydrophobicContact CE1-CD2 4.14Å; F220-L266 HydrophobicContact CZ-CD2 4.02Å; W228-L266 HydrophobicContact CE3-CB 4.17Å; W228-L266 HydrophobicContact CE3-CD1 4.33Å; W228-L266 HydrophobicContact CE3-CD2 4.18Å; W228-L266 HydrophobicContact CE3-CG 4.46Å; W228-L266 HydrophobicContact CZ3-CD1 4.38Å; W228-L266 WeakPolarHBondContact O-CD2 3.47Å; L242-L266 HydrophobicContact CD1-CD1 4.26Å; L242-L266 HydrophobicContact CD2-CD1 3.92Å; L247-L266 HydrophobicContact CD2-CD1 3.39Å; L250-L266 HydrophobicContact CD1-CB 4.42Å; L250-L266 HydrophobicContact CD1-CD1 4.27Å; Q262-L266 PolarHBondContact O-N 2.83Å; A263-L266 WeakPolarHBondContact O-CB 3.45Å; A263-L266 PolarHBondContact O-N 3.35Å; F264-L266 PolarHBondContact O-N 2.89Å; L266-R269 PolarHBondContact O-N 3.49Å; L266-F270 PolarHBondContact O-N 2.89Å
267L92.6Very high88.9Confident1 Ų157.4 Ų57.41%0.00528%0.278CS..Hα-helixtrans-70.5-33.9-179.6-76.6-169.2000112.3L212 Q217 F220 L235 A263 F264 R269 F270 M271 L283L212-L267 HydrophobicContact CD1-CD2 4.36Å; Q217-L267 HydrophobicContact CB-CD1 4.5Å; Q217-L267 HydrophobicContact CG-CB 3.91Å; Q217-L267 HydrophobicContact CG-CD1 4.41Å; F220-L267 HydrophobicContact CB-CD1 3.44Å; F220-L267 VanDerWaalsContact CB-CD1 3.44Å; F220-L267 HydrophobicContact CD1-CD1 3.23Å; F220-L267 HydrophobicContact CD1-CD2 4.47Å; F220-L267 HydrophobicContact CD1-CG 3.52Å; F220-L267 HydrophobicContact CD2-CD1 4.15Å; F220-L267 HydrophobicContact CE1-CD1 3.95Å; F220-L267 HydrophobicContact CE1-CD2 4.4Å; F220-L267 HydrophobicContact CE1-CG 3.72Å; F220-L267 HydrophobicContact CG-CD1 3.33Å; F220-L267 HydrophobicContact CG-CG 4.06Å; F220-L267 HydrophobicContact CZ-CG 4.42Å; L235-L267 HydrophobicContact CD1-CD2 4.17Å; A263-L267 PolarHBondContact O-N 3.13Å; F264-L267 PolarHBondContact O-N 3.08Å; L267-R269 VanDerWaalsContact C-N 3.33Å; L267-R269 PolarHBondContact O-N 3.02Å; L267-F270 HydrophobicContact CD2-CD1 4.41Å; L267-F270 WeakPolarHBondContact O-CB 3.24Å; L267-F270 PolarHBondContact O-N 3.06Å; L267-M271 WeakPolarHBondContact O-CB 3.21Å; L267-M271 VanDerWaalsContact O-CG 3.25Å; L267-M271 WeakPolarHBondContact O-CG 3.36Å; L267-M271 PolarHBondContact O-N 2.67Å; L267-L283 HydrophobicContact CD1-CD2 3.98Å; L267-L283 HydrophobicContact CD2-CD1 3.83Å; L267-L283 HydrophobicContact CD2-CD2 4.32Å
268L91.1Very high88.9Confident47 Ų4752.5 Ų52.525%0.24625%0.252CS..Hα-helixtrans-58.2-48.9173.2-172.156.8000110.8F264 Q265 F270 M271 Q272F264-L268 PolarHBondContact O-N 3.26Å; Q265-L268 PolarHBondContact O-N 2.69Å; L268-F270 VanDerWaalsContact C-N 3.33Å; L268-F270 PolarHBondContact O-N 3.41Å; L268-M271 PolarHBondContact O-N 3Å; L268-Q272 HydrophobicContact CD1-CG 4.49Å; L268-Q272 WeakPolarHBondContact O-CB 3.29Å; L268-Q272 VanDerWaalsContact O-CG 3.27Å; L268-Q272 WeakPolarHBondContact O-CG 3.35Å; L268-Q272 PolarHBondContact O-N 2.83Å
269R90.4Very high89Confident62 Ų6252.2 Ų52.223%0.23425%0.245CC..Hα-helixtrans-63.8-39178.4-172.4175-74.3-178.6-0.9111.5L242 A246 E253 Q265 L266 L267 Q272 A273L242-R269 HydrophobicContact CD2-CB 4.17Å; L242-R269 HydrophobicContact CD2-CG 4.03Å; A246-R269 PolarHBondContact O-NH1 3.23Å; E253-R269 IonicContact OE2-NH2 3.41Å; Q265-R269 WeakPolarHBondContact O-CB 3.26Å; Q265-R269 PolarHBondContact O-N 3.17Å; L266-R269 PolarHBondContact O-N 3.49Å; L267-R269 VanDerWaalsContact C-N 3.33Å; L267-R269 PolarHBondContact O-N 3.02Å; R269-Q272 PolarHBondContact O-N 3.31Å; R269-A273 VanDerWaalsContact O-CB 3.26Å; R269-A273 WeakPolarHBondContact O-CB 3.36Å; R269-A273 PolarHBondContact O-N 3.39Å
270F90.3Very high88.9Confident0 Ų049.1 Ų49.10%023%0.229CC..Hα-helixtrans-60.8-47173.9-179.6-115000112.1L212 L235 C239 L242 L266 L267 L268 A273 E274 A278 R282L212-F270 HydrophobicContact CD1-CD1 3.72Å; L212-F270 HydrophobicContact CD1-CE1 3.74Å; L235-F270 HydrophobicContact CD2-CE1 4.48Å; L235-F270 HydrophobicContact CD2-CE2 4.08Å; L235-F270 HydrophobicContact CD2-CZ 4.02Å; C239-F270 HydrophobicContact CB-CD2 3.72Å; C239-F270 HydrophobicContact CB-CE2 3.8Å; L242-F270 HydrophobicContact CD1-CB 4.12Å; L242-F270 HydrophobicContact CD1-CD2 3.89Å; L242-F270 HydrophobicContact CD1-CG 4.4Å; L266-F270 PolarHBondContact O-N 2.89Å; L267-F270 HydrophobicContact CD2-CD1 4.41Å; L267-F270 WeakPolarHBondContact O-CB 3.24Å; L267-F270 PolarHBondContact O-N 3.06Å; L268-F270 VanDerWaalsContact C-N 3.33Å; L268-F270 PolarHBondContact O-N 3.41Å; F270-A273 PolarHBondContact O-N 3.29Å; F270-E274 HydrophobicContact CD2-CG 4.09Å; F270-E274 HydrophobicContact CE2-CG 3.89Å; F270-E274 HydrophobicContact CZ-CG 4.48Å; F270-E274 WeakPolarHBondContact O-CB 3.45Å; F270-E274 PolarHBondContact O-N 2.9Å; F270-A278 HydrophobicContact CD1-CB 3.76Å; F270-A278 HydrophobicContact CE1-CB 3.61Å; F270-A278 HydrophobicContact CZ-CB 4.31Å; F270-R282 HydrophobicContact CZ-CB 4.17Å
271M89Confident88.7Confident45 Ų4547.7 Ų47.722%0.22223%0.225CC..Hα-helixtrans-64.8-40.9177.9-71.3174.563.500112.4L212 L267 L268 G275 A278L212-M271 HydrophobicContact CB-CE 4.35Å; L212-M271 HydrophobicContact CB-CG 4.04Å; L212-M271 HydrophobicContact CB-SD 3.9Å; L212-M271 HydrophobicContact CD1-CG 4.25Å; L212-M271 VanDerWaalsContact O-CE 3.25Å; L212-M271 WeakPolarHBondContact O-CE 3.45Å; L267-M271 WeakPolarHBondContact O-CB 3.21Å; L267-M271 VanDerWaalsContact O-CG 3.25Å; L267-M271 WeakPolarHBondContact O-CG 3.36Å; L267-M271 PolarHBondContact O-N 2.67Å; L268-M271 PolarHBondContact O-N 3Å; M271-G275 WeakPolarHBondContact O-CA 3.4Å; M271-G275 PolarHBondContact O-N 3.28Å; M271-A278 HydrophobicContact CB-CB 4.42Å; M271-A278 HydrophobicContact CG-CB 4.08Å
272Q87.8Confident88.6Confident141 Ų14147.5 Ų47.566%0.65922%0.223SC*.Hα-helixtrans-65.6-40.4176.6-73.6174.70.300112.1L268 R269L268-Q272 HydrophobicContact CD1-CG 4.49Å; L268-Q272 WeakPolarHBondContact O-CB 3.29Å; L268-Q272 VanDerWaalsContact O-CG 3.27Å; L268-Q272 WeakPolarHBondContact O-CG 3.35Å; L268-Q272 PolarHBondContact O-N 2.83Å; R269-Q272 PolarHBondContact O-N 3.31Å
273A87.3Confident88.6Confident48 Ų4847.1 Ų47.140%0.39722%0.221SC..Hα-helixtrans-75.1-40.6-177.400000113.6A241 R269 F270A241-A273 HydrophobicContact CB-CB 3.25Å; R269-A273 VanDerWaalsContact O-CB 3.26Å; R269-A273 WeakPolarHBondContact O-CB 3.36Å; R269-A273 PolarHBondContact O-N 3.39Å; F270-A273 PolarHBondContact O-N 3.29Å
274E84.6Confident88.4Confident36 Ų3647.1 Ų47.117%0.16822%0.221CC..Hα-helixtrans-97.8-15.8-174.6-63.7-70.9147.800112.8C239 F270 R276 R277 A278 R282C239-E274 VanDerWaalsContact CA-OE1 3.31Å; C239-E274 WeakPolarHBondContact CA-OE1 3.29Å; C239-E274 HydrophobicContact CB-CG 4.07Å; C239-E274 PolarHBondContact SG-OE1 3.39Å; C239-E274 VanDerWaalsContact SG-OE1 3.33Å; F270-E274 HydrophobicContact CD2-CG 4.09Å; F270-E274 HydrophobicContact CE2-CG 3.89Å; F270-E274 HydrophobicContact CZ-CG 4.48Å; F270-E274 WeakPolarHBondContact O-CB 3.45Å; F270-E274 PolarHBondContact O-N 2.9Å; E274-R276 PolarHBondContact O-N 3.18Å; E274-R277 HydrophobicContact CB-CB 4.21Å; E274-R277 VanDerWaalsContact O-CB 3.29Å; E274-R277 WeakPolarHBondContact O-CB 3.42Å; E274-R277 PolarHBondContact O-N 3.41Å; E274-A278 HydrophobicContact CB-CB 3.96Å; E274-R282 IonicContact OE1-NH2 3.78Å; E274-R282 IonicContact OE2-CZ 3.58Å; E274-R282 IonicContact OE2-NH1 2.75Å; E274-R282 PolarHBondContact OE2-NH1 2.92Å; E274-R282 IonicContact OE2-NH2 3.47Å; E274-R282 PolarHBondContact OE2-NH2 3.4Å
275G84.3Confident88.3Confident40 Ų4049.7 Ų49.741%0.41223%0.234SC..G310 helixtrans53.8-123.4-178.300000111.6M271 R277 A278M271-G275 WeakPolarHBondContact O-CA 3.4Å; M271-G275 PolarHBondContact O-N 3.28Å; G275-R277 PolarHBondContact O-N 2.99Å; G275-R277 VanDerWaalsContact O-N 3.07Å; G275-A278 WeakPolarHBondContact O-CB 3.31Å; G275-A278 PolarHBondContact O-N 3.11Å
276R78.7Confident88.2Confident227 Ų22749 Ų4986%0.85723%0.231SC*.G310 helixtrans-64.3-12.1177.9-61.6-176.6-176-177.30.8114E274E274-R276 PolarHBondContact O-N 3.18Å
277R80.2Confident88Confident176 Ų17649 Ų4966%0.66423%0.231SC*.G310 helixtrans-90.8-7.6177.1-54-179.567.4-170.9-0.9112.7E274 G275 T279 R282E274-R277 HydrophobicContact CB-CB 4.21Å; E274-R277 VanDerWaalsContact O-CB 3.29Å; E274-R277 WeakPolarHBondContact O-CB 3.42Å; E274-R277 PolarHBondContact O-N 3.41Å; G275-R277 PolarHBondContact O-N 2.99Å; G275-R277 VanDerWaalsContact O-N 3.07Å; R277-T279 PolarHBondContact O-N 3.27Å; R277-R282 VanDerWaalsContact O-CD 3.29Å; R277-R282 WeakPolarHBondContact O-CD 3.46Å; R277-R282 PolarHBondContact O-NH1 2.9Å
278A87.8Confident87.8Confident1 Ų152.4 Ų52.41%0.00825%0.247CC..  trans-73.478.9166.700000108.6P211 L212 F270 M271 E274 G275P211-A278 CarbonylContact C-O 3.57Å; P211-A278 WeakPolarHBondContact CA-O 3.4Å; L212-A278 HydrophobicContact CD1-CB 4.42Å; L212-A278 PolarHBondContact N-O 3.4Å; F270-A278 HydrophobicContact CD1-CB 3.76Å; F270-A278 HydrophobicContact CE1-CB 3.61Å; F270-A278 HydrophobicContact CZ-CB 4.31Å; M271-A278 HydrophobicContact CB-CB 4.42Å; M271-A278 HydrophobicContact CG-CB 4.08Å; E274-A278 HydrophobicContact CB-CB 3.96Å; G275-A278 WeakPolarHBondContact O-CB 3.31Å; G275-A278 PolarHBondContact O-N 3.11Å
279T89.3Confident87.7Confident23 Ų2355.5 Ų55.514%0.14126%0.26CS..BIsolated β-bridgetrans-94.7154.4-174.356.40000112.2N209 R210 R277 Q281 R282 L283N209-T279 VanDerWaalsContact OD1-CB 3.32Å; N209-T279 WeakPolarHBondContact OD1-CB 3.42Å; R210-T279 WeakPolarHBondContact O-CA 3.46Å; R277-T279 PolarHBondContact O-N 3.27Å; T279-Q281 VanDerWaalsContact C-N 3.25Å; T279-Q281 PolarHBondContact O-N 3.06Å; T279-R282 PolarHBondContact O-N 3.32Å; T279-R282 VanDerWaalsContact O-N 3.14Å; T279-R282 WeakPolarHBondContact OG1-CG 3.14Å; T279-L283 PolarHBondContact O-N 3.04Å
280L88.1Confident87.6Confident4 Ų453.6 Ų53.62%0.02126%0.255CS..Hα-helixtrans-56.3-40.9175.2-175.161.1000111.5R210 L212 R282 L283 V284 L299 L300R210-L280 HydrophobicContact CG-CB 4.37Å; R210-L280 HydrophobicContact CG-CD2 4.2Å; R210-L280 WeakPolarHBondContact O-CB 3.47Å; R210-L280 PolarHBondContact O-N 3.29Å; L212-L280 HydrophobicContact CD2-CB 4.4Å; L212-L280 HydrophobicContact CD2-CD1 4.02Å; L280-R282 VanDerWaalsContact C-N 3.31Å; L280-R282 PolarHBondContact O-N 3.37Å; L280-L283 PolarHBondContact O-N 3.39Å; L280-L283 VanDerWaalsContact O-N 3.15Å; L280-V284 HydrophobicContact CD1-CG2 4.27Å; L280-V284 HydrophobicContact CG-CG2 4.26Å; L280-V284 WeakPolarHBondContact O-CG2 3.48Å; L280-V284 PolarHBondContact O-N 3.41Å; L280-L299 HydrophobicContact CD1-CB 4.3Å; L280-L300 HydrophobicContact CD2-CD2 3.55Å; L280-L300 HydrophobicContact CG-CD2 3.97Å
281Q88.8Confident87.4Confident57 Ų5761.1 Ų61.127%0.26629%0.29SS..Hα-helixtrans-52.3-47.5175.1178.2-177-1.300112.5F200 N209 T279 L283 V284 E285F200-Q281 HydrophobicContact CB-CB 4.4Å; F200-Q281 HydrophobicContact CB-CG 3.92Å; F200-Q281 HydrophobicContact CD1-CB 3.69Å; F200-Q281 HydrophobicContact CD1-CG 4.12Å; F200-Q281 HydrophobicContact CD2-CB 4.23Å; F200-Q281 HydrophobicContact CD2-CG 3.95Å; F200-Q281 HydrophobicContact CE1-CB 3.91Å; F200-Q281 HydrophobicContact CE2-CB 4.42Å; F200-Q281 HydrophobicContact CE2-CG 4.48Å; F200-Q281 HydrophobicContact CG-CB 3.85Å; F200-Q281 HydrophobicContact CG-CG 3.74Å; F200-Q281 HydrophobicContact CZ-CB 4.26Å; N209-Q281 PolarHBondContact ND2-OE1 3.14Å; N209-Q281 VanDerWaalsContact OD1-CB 3.25Å; N209-Q281 WeakPolarHBondContact OD1-CB 3.21Å; N209-Q281 PolarHBondContact OD1-N 2.88Å; T279-Q281 VanDerWaalsContact C-N 3.25Å; T279-Q281 PolarHBondContact O-N 3.06Å; Q281-L283 VanDerWaalsContact C-N 3.29Å; Q281-L283 PolarHBondContact O-N 3.03Å; Q281-V284 PolarHBondContact O-N 3.39Å; Q281-E285 HydrophobicContact CG-CG 4.35Å; Q281-E285 VanDerWaalsContact CG-OE1 3.27Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.47Å; Q281-E285 PolarHBondContact NE2-OE1 3.43Å; Q281-E285 WeakPolarHBondContact O-CB 3.42Å; Q281-E285 VanDerWaalsContact O-CG 3.32Å; Q281-E285 WeakPolarHBondContact O-CG 3.49Å; Q281-E285 PolarHBondContact O-N 3.45Å
282R88.7Confident87.4Confident33 Ų3359.6 Ų59.613%0.12528%0.283CS..Hα-helixtrans-67.5-33.3-177-69.9171.165.5177.33.5112.3S238 F270 E274 R277 T279 L280 A286S238-R282 PolarHBondContact O-NH2 3.33Å; S238-R282 PolarHBondContact OG-NE 2.91Å; S238-R282 PolarHBondContact OG-NH2 3.3Å; F270-R282 HydrophobicContact CZ-CB 4.17Å; E274-R282 IonicContact OE1-NH2 3.78Å; E274-R282 IonicContact OE2-CZ 3.58Å; E274-R282 IonicContact OE2-NH1 2.75Å; E274-R282 PolarHBondContact OE2-NH1 2.92Å; E274-R282 IonicContact OE2-NH2 3.47Å; E274-R282 PolarHBondContact OE2-NH2 3.4Å; R277-R282 VanDerWaalsContact O-CD 3.29Å; R277-R282 WeakPolarHBondContact O-CD 3.46Å; R277-R282 PolarHBondContact O-NH1 2.9Å; T279-R282 PolarHBondContact O-N 3.32Å; T279-R282 VanDerWaalsContact O-N 3.14Å; T279-R282 WeakPolarHBondContact OG1-CG 3.14Å; L280-R282 VanDerWaalsContact C-N 3.31Å; L280-R282 PolarHBondContact O-N 3.37Å; R282-A286 WeakPolarHBondContact O-CB 3.45Å; R282-A286 PolarHBondContact O-N 3.48Å
283L90.3Very high87.3Confident0 Ų055 Ų550%026%0.264CS..Hα-helixtrans-70.1-45.8174.3-17956.1000110.5L212 F220 V231 L235 L267 T279 L280 Q281 A286 L287 L299L212-L283 HydrophobicContact CD1-CB 4.33Å; L212-L283 HydrophobicContact CD1-CD2 4.13Å; L212-L283 HydrophobicContact CD2-CB 3.99Å; L212-L283 HydrophobicContact CD2-CD2 3.53Å; L212-L283 HydrophobicContact CD2-CG 4.42Å; F220-L283 HydrophobicContact CD2-CD1 4.14Å; F220-L283 HydrophobicContact CE2-CD1 4.14Å; V231-L283 HydrophobicContact CG1-CD1 4.36Å; L235-L283 HydrophobicContact CD1-CD1 4.46Å; L267-L283 HydrophobicContact CD1-CD2 3.98Å; L267-L283 HydrophobicContact CD2-CD1 3.83Å; L267-L283 HydrophobicContact CD2-CD2 4.32Å; T279-L283 PolarHBondContact O-N 3.04Å; L280-L283 PolarHBondContact O-N 3.39Å; L280-L283 VanDerWaalsContact O-N 3.15Å; Q281-L283 VanDerWaalsContact C-N 3.29Å; Q281-L283 PolarHBondContact O-N 3.03Å; L283-A286 CarbonylContact O-C 3.39Å; L283-A286 PolarHBondContact O-N 2.84Å; L283-L287 HydrophobicContact CD1-CD1 4.33Å; L283-L287 HydrophobicContact CD1-CG 4.28Å; L283-L287 HydrophobicContact CG-CD1 4.03Å; L283-L287 HydrophobicContact CG-CG 4.44Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.29Å; L283-L287 PolarHBondContact O-N 3Å; L283-L299 HydrophobicContact CD2-CD1 3.8Å; L283-L299 HydrophobicContact CG-CD1 4.23Å
284V89.2Confident87.1Confident0 Ų056.3 Ų56.30%027%0.27CS..Hα-helixtrans-61.4-47.2178.4170.20000111.4F200 F202 L280 Q281 A286 L287 E288 A296 L300F200-V284 HydrophobicContact CE2-CB 4.05Å; F200-V284 HydrophobicContact CE2-CG1 3.9Å; F200-V284 HydrophobicContact CE2-CG2 4.39Å; F200-V284 HydrophobicContact CZ-CB 4.21Å; F200-V284 HydrophobicContact CZ-CG1 4.43Å; F200-V284 HydrophobicContact CZ-CG2 4.11Å; F202-V284 HydrophobicContact CD2-CG1 3.33Å; F202-V284 HydrophobicContact CE2-CG1 3.57Å; F202-V284 HydrophobicContact CG-CG1 4.22Å; L280-V284 HydrophobicContact CD1-CG2 4.27Å; L280-V284 HydrophobicContact CG-CG2 4.26Å; L280-V284 WeakPolarHBondContact O-CG2 3.48Å; L280-V284 PolarHBondContact O-N 3.41Å; Q281-V284 PolarHBondContact O-N 3.39Å; V284-A286 VanDerWaalsContact C-N 3.27Å; V284-A286 PolarHBondContact O-N 3.1Å; V284-L287 WeakPolarHBondContact O-CA 3.28Å; V284-L287 WeakPolarHBondContact O-CB 3.06Å; V284-L287 PolarHBondContact O-N 2.77Å; V284-E288 HydrophobicContact CG1-CG 4.36Å; V284-E288 WeakPolarHBondContact O-CG 3.36Å; V284-E288 PolarHBondContact O-N 2.99Å; V284-A296 HydrophobicContact CG1-CB 4.08Å; V284-A296 HydrophobicContact CG2-CB 4.36Å; V284-L300 HydrophobicContact CG1-CD1 4.46Å; V284-L300 HydrophobicContact CG2-CD1 4.23Å; V284-L300 HydrophobicContact CG2-CD2 4Å; V284-L300 HydrophobicContact CG2-CG 4.21Å
285E89.3Confident87.1Confident84 Ų8454.8 Ų54.839%0.39326%0.263SS..Hα-helixtrans-56.2-43.3174.8-73.9170.5-175.300111.1Q281 L287 E288 E289Q281-E285 HydrophobicContact CG-CG 4.35Å; Q281-E285 VanDerWaalsContact CG-OE1 3.27Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.47Å; Q281-E285 PolarHBondContact NE2-OE1 3.43Å; Q281-E285 WeakPolarHBondContact O-CB 3.42Å; Q281-E285 VanDerWaalsContact O-CG 3.32Å; Q281-E285 WeakPolarHBondContact O-CG 3.49Å; Q281-E285 PolarHBondContact O-N 3.45Å; E285-L287 VanDerWaalsContact C-N 3.34Å; E285-L287 PolarHBondContact O-N 3.1Å; E285-E288 PolarHBondContact O-N 3.4Å; E285-E289 WeakPolarHBondContact O-CG 3.46Å; E285-E289 PolarHBondContact O-N 3.39Å
286A90.7Very high87.2Confident4 Ų452.9 Ų52.93%0.03324%0.244CC..Hα-helixtrans-68.7-29.7176.700000113.1V231 L235 R282 L283 V284 N290V231-A286 HydrophobicContact CG1-CB 4.12Å; L235-A286 HydrophobicContact CD2-CB 3.68Å; L235-A286 HydrophobicContact CG-CB 3.91Å; R282-A286 WeakPolarHBondContact O-CB 3.45Å; R282-A286 PolarHBondContact O-N 3.48Å; L283-A286 CarbonylContact O-C 3.39Å; L283-A286 PolarHBondContact O-N 2.84Å; V284-A286 VanDerWaalsContact C-N 3.27Å; V284-A286 PolarHBondContact O-N 3.1Å; A286-N290 PolarHBondContact O-ND2 3Å
287L89.8Confident87.6Confident0 Ų045.5 Ų45.50%022%0.219CC..Hα-helixtrans-74.6-41.2175.3-71.4171.1000111.5F220 V231 L283 V284 E285 N290 E291 L292 L295 A296 L299F220-L287 HydrophobicContact CD2-CD2 4.11Å; F220-L287 HydrophobicContact CE2-CD2 3.89Å; V231-L287 HydrophobicContact CG1-CD2 4.48Å; V231-L287 HydrophobicContact CG2-CD2 4.04Å; L283-L287 HydrophobicContact CD1-CD1 4.33Å; L283-L287 HydrophobicContact CD1-CG 4.28Å; L283-L287 HydrophobicContact CG-CD1 4.03Å; L283-L287 HydrophobicContact CG-CG 4.44Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.29Å; L283-L287 PolarHBondContact O-N 3Å; V284-L287 WeakPolarHBondContact O-CA 3.28Å; V284-L287 WeakPolarHBondContact O-CB 3.06Å; V284-L287 PolarHBondContact O-N 2.77Å; E285-L287 VanDerWaalsContact C-N 3.34Å; E285-L287 PolarHBondContact O-N 3.1Å; L287-N290 CarbonylContact O-C 3.44Å; L287-N290 PolarHBondContact O-N 2.97Å; L287-N290 VanDerWaalsContact O-N 3.07Å; L287-E291 PolarHBondContact O-N 3.2Å; L287-L292 HydrophobicContact CB-CB 4.12Å; L287-L292 HydrophobicContact CD2-CB 3.78Å; L287-L292 HydrophobicContact CD2-CD1 3.71Å; L287-L292 HydrophobicContact CD2-CG 4.43Å; L287-L292 PolarHBondContact O-N 2.99Å; L287-L295 HydrophobicContact CD1-CG 4.2Å; L287-L295 HydrophobicContact CD2-CD2 3.86Å; L287-L295 HydrophobicContact CD2-CG 4.32Å; L287-A296 HydrophobicContact CB-CB 4.21Å; L287-A296 HydrophobicContact CD1-CB 4.22Å; L287-L299 HydrophobicContact CD1-CD1 3.42Å; L287-L299 VanDerWaalsContact CD1-CD1 3.42Å
288E88.2Confident87.8Confident72 Ų7240.7 Ų40.734%0.33621%0.206SC..Hα-helixtrans-60.5-45.1174.9-72.2179.8120.900111.4F202 V284 E285 N290 E291F202-E288 HydrophobicContact CD2-CG 4.3Å; F202-E288 VanDerWaalsContact CD2-OE1 3.28Å; F202-E288 WeakPolarHBondContact CD2-OE1 3.38Å; F202-E288 HydrophobicContact CE2-CG 3.76Å; F202-E288 WeakPolarHBondContact CE2-OE1 3.2Å; V284-E288 HydrophobicContact CG1-CG 4.36Å; V284-E288 WeakPolarHBondContact O-CG 3.36Å; V284-E288 PolarHBondContact O-N 2.99Å; E285-E288 PolarHBondContact O-N 3.4Å; E288-N290 PolarHBondContact O-N 2.92Å; E288-N290 VanDerWaalsContact O-N 3.1Å; E288-E291 PolarHBondContact O-N 3.15Å
289E88.7Confident87.6Confident113 Ų11341 Ų4153%0.52821%0.208SC..THydrogen-bonded Turntrans-59.2-22.8174.8-76.7-177-17600113.7S234 R237 E285S234-E289 WeakPolarHBondContact CB-OE2 3.32Å; S234-E289 PolarHBondContact OG-OE2 2.76Å; R237-E289 IonicContact CZ-OE2 3.73Å; R237-E289 IonicContact NH1-OE1 3.96Å; R237-E289 PolarHBondContact NH1-OE1 2.9Å; R237-E289 IonicContact NH1-OE2 3.6Å; R237-E289 PolarHBondContact NH1-OE2 3.41Å; R237-E289 IonicContact NH2-OE2 3.57Å; E285-E289 WeakPolarHBondContact O-CG 3.46Å; E285-E289 PolarHBondContact O-N 3.39Å
290N88.2Confident87.3Confident22 Ų2241.2 Ų41.212%0.11821%0.208CC..THydrogen-bonded Turntrans-108.416.2-176-75.3-76.4000113.5R230 V231 S234 A286 L287 E288 L292R230-N290 WeakPolarHBondContact CB-OD1 3.4Å; V231-N290 HydrophobicContact CG2-CB 4.14Å; S234-N290 PolarHBondContact OG-ND2 2.87Å; A286-N290 PolarHBondContact O-ND2 3Å; L287-N290 CarbonylContact O-C 3.44Å; L287-N290 PolarHBondContact O-N 2.97Å; L287-N290 VanDerWaalsContact O-N 3.07Å; E288-N290 PolarHBondContact O-N 2.92Å; E288-N290 VanDerWaalsContact O-N 3.1Å; N290-L292 HydrophobicContact CB-CD1 4.47Å; N290-L292 PolarHBondContact O-N 2.91Å
291E87.4Confident86.7Confident157 Ų15744.2 Ų44.273%0.73424%0.24SC*.THydrogen-bonded Turntrans57.537.2179-52.6167.917100111.8L287 E288L287-E291 PolarHBondContact O-N 3.2Å; E288-E291 PolarHBondContact O-N 3.15Å
292L88.1Confident85.6Confident14 Ų1445.3 Ų45.37%0.07325%0.245CC..  trans-11242.9177.6-74.5173.5000111V224 K227 V231 L287 N290 S294 L295 A296V224-L292 HydrophobicContact CG2-CD1 3.8Å; K227-L292 HydrophobicContact CB-CD1 4.06Å; K227-L292 HydrophobicContact CD-CD1 4.07Å; K227-L292 HydrophobicContact CD-CD2 3.76Å; K227-L292 HydrophobicContact CD-CG 3.97Å; V231-L292 HydrophobicContact CG2-CD1 3.78Å; L287-L292 HydrophobicContact CB-CB 4.12Å; L287-L292 HydrophobicContact CD2-CB 3.78Å; L287-L292 HydrophobicContact CD2-CD1 3.71Å; L287-L292 HydrophobicContact CD2-CG 4.43Å; L287-L292 PolarHBondContact O-N 2.99Å; N290-L292 HydrophobicContact CB-CD1 4.47Å; N290-L292 PolarHBondContact O-N 2.91Å; L292-S294 PolarHBondContact O-N 3.31Å; L292-L295 HydrophobicContact CB-CB 4.35Å; L292-L295 PolarHBondContact O-N 3.4Å; L292-A296 PolarHBondContact O-N 3.33Å
293T85.5Confident83.9Confident43 Ų4345.8 Ų45.826%0.26426%0.256SS..Hα-helixtrans-62.8-38.8-177.2-48.60000112.7F202 H203 L295 A296 E297F202-T293 HydrophobicContact CE2-CG2 4.49Å; F202-T293 HydrophobicContact CZ-CG2 3.99Å; H203-T293 WeakPolarHBondContact NE2-CG2 3.29Å; T293-L295 VanDerWaalsContact C-N 3.3Å; T293-L295 PolarHBondContact O-N 3.43Å; T293-A296 WeakPolarHBondContact O-CA 3.08Å; T293-A296 WeakPolarHBondContact O-CB 2.93Å; T293-A296 PolarHBondContact O-N 3.47Å; T293-E297 WeakPolarHBondContact O-CG 3.31Å; T293-E297 PolarHBondContact O-N 2.75Å
294S83.1Confident81.8Confident77 Ų7753.8 Ų53.854%0.53829%0.293SS..Hα-helixtrans-61.1-39.2175.554.30000112.4L292 A296 E297 D298L292-S294 PolarHBondContact O-N 3.31Å; S294-A296 VanDerWaalsContact C-N 3.33Å; S294-E297 WeakPolarHBondContact O-CB 3.29Å; S294-E297 PolarHBondContact O-N 2.84Å; S294-D298 PolarHBondContact O-N 3.43Å
295L86.1Confident79.8Confident3 Ų359.8 Ų59.82%0.01633%0.332CS..Hα-helixtrans-68.9-33.8174.4-179.853.6000111.8T219 F220 S223 V224 L287 L292 T293 D298 L299T219-L295 HydrophobicContact CG2-CD1 4.08Å; F220-L295 HydrophobicContact CD2-CD2 4.08Å; S223-L295 VanDerWaalsContact CB-CD1 3.45Å; V224-L295 HydrophobicContact CB-CD2 4.09Å; L287-L295 HydrophobicContact CD1-CG 4.2Å; L287-L295 HydrophobicContact CD2-CD2 3.86Å; L287-L295 HydrophobicContact CD2-CG 4.32Å; L292-L295 HydrophobicContact CB-CB 4.35Å; L292-L295 PolarHBondContact O-N 3.4Å; T293-L295 VanDerWaalsContact C-N 3.3Å; T293-L295 PolarHBondContact O-N 3.43Å; L295-D298 HydrophobicContact CD1-CB 4.47Å; L295-D298 PolarHBondContact O-N 3.38Å; L295-L299 HydrophobicContact CD1-CG 4.47Å; L295-L299 VanDerWaalsContact O-CG 3.24Å; L295-L299 WeakPolarHBondContact O-CG 3.47Å; L295-L299 PolarHBondContact O-N 3.05Å; L295-L299 VanDerWaalsContact O-N 3.09Å
296A86.3Confident77.7Confident0 Ų063.1 Ų63.10%035%0.353CS..Hα-helixtrans-65.4-41172.500000111.3F202 V284 L287 L292 T293 S294 L299 L300F202-A296 HydrophobicContact CE2-CB 3.69Å; F202-A296 HydrophobicContact CZ-CB 3.57Å; V284-A296 HydrophobicContact CG1-CB 4.08Å; V284-A296 HydrophobicContact CG2-CB 4.36Å; L287-A296 HydrophobicContact CB-CB 4.21Å; L287-A296 HydrophobicContact CD1-CB 4.22Å; L292-A296 PolarHBondContact O-N 3.33Å; T293-A296 WeakPolarHBondContact O-CA 3.08Å; T293-A296 WeakPolarHBondContact O-CB 2.93Å; T293-A296 PolarHBondContact O-N 3.47Å; S294-A296 VanDerWaalsContact C-N 3.33Å; A296-L299 PolarHBondContact O-N 3.17Å; A296-L300 WeakPolarHBondContact O-CD1 3.44Å; A296-L300 WeakPolarHBondContact O-CG 3.1Å; A296-L300 PolarHBondContact O-N 2.9Å
297E85.4Confident75.2Confident72 Ų7266.6 Ų66.634%0.33639%0.389SS..Hα-helixtrans-61-44.1174.2-70.3166.6178.700112.1F202 T293 S294 L299 L300 G301 Q302 A303F202-E297 HydrophobicContact CE1-CG 3.69Å; F202-E297 HydrophobicContact CZ-CG 4.01Å; T293-E297 WeakPolarHBondContact O-CG 3.31Å; T293-E297 PolarHBondContact O-N 2.75Å; S294-E297 WeakPolarHBondContact O-CB 3.29Å; S294-E297 PolarHBondContact O-N 2.84Å; E297-L299 VanDerWaalsContact C-N 3.32Å; E297-L299 PolarHBondContact O-N 3.41Å; E297-L300 PolarHBondContact O-N 2.96Å; E297-G301 PolarHBondContact O-N 3.17Å; E297-G301 VanDerWaalsContact O-N 3.13Å; E297-Q302 PolarHBondContact O-N 3.25Å; E297-A303 PolarHBondContact O-N 2.76Å
298D84.8Confident72.5Confident75 Ų7570.1 Ų70.140%0.40143%0.426SS..Hα-helixtrans-57.1-44.2174.4-71.6-23.9000111.8T219 S294 L295 L300 G301 A303T219-D298 HydrophobicContact CG2-CB 4.15Å; S294-D298 PolarHBondContact O-N 3.43Å; L295-D298 HydrophobicContact CD1-CB 4.47Å; L295-D298 PolarHBondContact O-N 3.38Å; D298-L300 VanDerWaalsContact C-N 3.32Å; D298-L300 PolarHBondContact O-N 2.81Å; D298-G301 PolarHBondContact O-N 2.87Å; D298-A303 WeakPolarHBondContact OD1-CB 3.36Å
299L84.2Confident70.1Confident9 Ų975.7 Ų75.75%0.04746%0.457CS..Hα-helixtrans-69.1-29.5179.3-71.6172.9000113.2D216 T219 L280 L283 L287 L295 A296 E297 G301D216-L299 HydrophobicContact CB-CD2 3.9Å; D216-L299 WeakPolarHBondContact O-CD2 3.3Å; T219-L299 HydrophobicContact CG2-CD2 3.79Å; T219-L299 HydrophobicContact CG2-CG 4.31Å; L280-L299 HydrophobicContact CD1-CB 4.3Å; L283-L299 HydrophobicContact CD2-CD1 3.8Å; L283-L299 HydrophobicContact CG-CD1 4.23Å; L287-L299 HydrophobicContact CD1-CD1 3.42Å; L287-L299 VanDerWaalsContact CD1-CD1 3.42Å; L295-L299 HydrophobicContact CD1-CG 4.47Å; L295-L299 VanDerWaalsContact O-CG 3.24Å; L295-L299 WeakPolarHBondContact O-CG 3.47Å; L295-L299 PolarHBondContact O-N 3.05Å; L295-L299 VanDerWaalsContact O-N 3.09Å; A296-L299 PolarHBondContact O-N 3.17Å; E297-L299 VanDerWaalsContact C-N 3.32Å; E297-L299 PolarHBondContact O-N 3.41Å; L299-G301 VanDerWaalsContact C-N 3.27Å
300L82.7Confident67.5Low27 Ų2778.7 Ų78.714%0.14150%0.5CS..THydrogen-bonded Turntrans-85.8-2.7178.1-60.8168.1000112.2F200 F202 V207 L280 V284 A296 E297 D298 Q302F200-L300 HydrophobicContact CZ-CD2 3.84Å; F202-L300 HydrophobicContact CB-CD1 3.95Å; F202-L300 HydrophobicContact CD1-CD1 3.18Å; F202-L300 HydrophobicContact CD2-CD1 4.05Å; F202-L300 HydrophobicContact CE1-CD1 3.52Å; F202-L300 HydrophobicContact CE2-CD1 4.33Å; F202-L300 HydrophobicContact CG-CD1 3.45Å; F202-L300 VanDerWaalsContact CG-CD1 3.45Å; F202-L300 HydrophobicContact CZ-CD1 4.09Å; V207-L300 HydrophobicContact CB-CD2 4.24Å; V207-L300 HydrophobicContact CG1-CB 4.48Å; V207-L300 HydrophobicContact CG1-CD2 3.33Å; V207-L300 HydrophobicContact CG1-CG 4.3Å; V207-L300 HydrophobicContact CG2-CD1 4.31Å; V207-L300 HydrophobicContact CG2-CD2 4.46Å; L280-L300 HydrophobicContact CD2-CD2 3.55Å; L280-L300 HydrophobicContact CG-CD2 3.97Å; V284-L300 HydrophobicContact CG1-CD1 4.46Å; V284-L300 HydrophobicContact CG2-CD1 4.23Å; V284-L300 HydrophobicContact CG2-CD2 4Å; V284-L300 HydrophobicContact CG2-CG 4.21Å; A296-L300 WeakPolarHBondContact O-CD1 3.44Å; A296-L300 WeakPolarHBondContact O-CG 3.1Å; A296-L300 PolarHBondContact O-N 2.9Å; E297-L300 PolarHBondContact O-N 2.96Å; D298-L300 VanDerWaalsContact C-N 3.32Å; D298-L300 PolarHBondContact O-N 2.81Å; L300-Q302 HydrophobicContact CB-CG 4.12Å; L300-Q302 PolarHBondContact O-N 3.27Å
301G74.6Confident66.5Low67 Ų6781.5 Ų81.569%0.69152%0.52SS*.THydrogen-bonded Turntrans65.722.5-175.800000112.8E297 D298 L299E297-G301 PolarHBondContact O-N 3.17Å; E297-G301 VanDerWaalsContact O-N 3.13Å; D298-G301 PolarHBondContact O-N 2.87Å; L299-G301 VanDerWaalsContact C-N 3.27Å
302Q66.2Low65.4Low80 Ų8077.5 Ų77.537%0.37451%0.508SS..  trans-970177.8-64.8-172.43.700112.5E297 L300 E304E297-Q302 PolarHBondContact O-N 3.25Å; L300-Q302 HydrophobicContact CB-CG 4.12Å; L300-Q302 PolarHBondContact O-N 3.27Å; Q302-E304 PolarHBondContact O-N 3.23Å
303A53.2Low64.1Low42 Ų4281.1 Ų81.135%0.34753%0.532SS..  trans-62.7109.1173.100000110.1E297 D298E297-A303 PolarHBondContact O-N 2.76Å; D298-A303 WeakPolarHBondContact OD1-CB 3.36Å
304E46.1Very low62.9Low169 Ų16983.3 Ų83.379%0.7955%0.548SS*.  trans-56.2125.2167.9-79.5-89.2128.800108.4Q302 D306Q302-E304 PolarHBondContact O-N 3.23Å; E304-D306 PolarHBondContact O-N 3.13Å
305P47.1Very low61.6Low125 Ų12583.7 Ų83.781%0.81255%0.549SS*.SBendtrans-80.356178.235.3-35.1000110.2
306D44.5Very low60Low154 Ų15489.1 Ų89.182%0.82458%0.584SS**  trans-174.1126.5156.8-124.2-20.3000111.1E304E304-D306 PolarHBondContact O-N 3.13Å
307G38.7Very low58.1Low77 Ų7795.4 Ų95.479%0.79463%0.626SS**  trans152.366.9164.600000118
308G32.7Very low56Low75 Ų7597.2 Ų97.277%0.77365%0.648SS**  trans109.298.9142.900000117.1A310G308-A310 PolarHBondContact O-N 3.24Å
309L38.1Very low53.6Low189 Ų18999.1 Ų99.199%0.9967%0.669SS**  trans-53.2124.5149.5-75.3159.8000110.4
310A35.5Very low50.8Low175 Ų175107.3 Ų107.3100%1.44673%0.726SS**  trans-154.9014700000109.6G308G308-A310 PolarHBondContact O-N 3.24Å

Retrieved 310 of 310 residues in 195.7 ms (Link to these results)

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