A0A3Q0KCI9_SCHMA Loading...

Tyrosinase; Tyrosinase 2

AlphaFold DB , UniProt , Accession A0A3Q0KCI9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 478 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
1M42.6Very low41.9Very low240 Ų240168.7 Ų168.7100%1.18282%0.816SS**  076.30-76.1-179.1156.700109.6
2Q38.8Very low41.6Very low193 Ų193170.3 Ų170.390%0.90282%0.816SS**  trans-146.5107.6173.5-90.2176.6-17.800108.1
3H41.8Very low41.1Very low175 Ų175172.6 Ų172.681%0.8181%0.814SS**  trans-78.5122.8-178-78.2-80000110.4
4I42.5Very low40.6Very low153 Ų153171.1 Ų171.179%0.78581%0.812SS**  trans-81.2112.8170.2-64.5169.6000107.4
5W44Very low40.2Very low229 Ų229168.4 Ų168.487%0.86780%0.803SS**  trans-91.8114.9172.4-81.977.9000109.7I7W5-I7 PolarHBondContact O-N 2.93Å
6F43.4Very low39.6Very low186 Ų186166.5 Ų166.582%0.81680%0.797SS**  trans-72.2116.9167.3-96.2-94.2000109.4I8F6-I8 PolarHBondContact O-N 3.41Å
7I44.4Very low39.2Very low146 Ų146164.4 Ų164.475%0.74979%0.789SS**  trans-80.6112.1171.6-66.7172.9000108.1W5 I9W5-I7 PolarHBondContact O-N 2.93Å; I7-I9 HydrophobicContact CG2-CG1 4.16Å; I7-I9 PolarHBondContact O-N 3.46Å
8I41.7Very low38.8Very low143 Ų143162.4 Ų162.473%0.73378%0.784SS**  trans-78106.8169-64.9172.8000107.5F6 L10F6-I8 PolarHBondContact O-N 3.41Å; I8-L10 HydrophobicContact CG2-CD1 4.39Å; I8-L10 HydrophobicContact CG2-CG 4.39Å; I8-L10 PolarHBondContact O-N 3.26Å
9I42.5Very low38.3Very low142 Ų142157.3 Ų157.373%0.72876%0.763SS**  trans-80.696.4169.2-61.2177.6000107.5I7 T11I7-I9 HydrophobicContact CG2-CG1 4.16Å; I7-I9 PolarHBondContact O-N 3.46Å; I9-T11 HydrophobicContact CG2-CG2 4.33Å; I9-T11 PolarHBondContact O-N 3.14Å; I9-T11 VanDerWaalsContact O-N 3.17Å
10L39.5Very low38Very low143 Ų143151.7 Ų151.775%0.74974%0.736SS**  trans-73.594.6165.7-101.5145.2000108.5I8 F12I8-L10 HydrophobicContact CG2-CD1 4.39Å; I8-L10 HydrophobicContact CG2-CG 4.39Å; I8-L10 PolarHBondContact O-N 3.26Å; L10-F12 PolarHBondContact O-N 3.05Å
11T39.7Very low38.2Very low106 Ų106144.4 Ų144.465%0.6570%0.701SS**  trans-65.699.4165.741.10000109.3I9 Y13I9-T11 HydrophobicContact CG2-CG2 4.33Å; I9-T11 PolarHBondContact O-N 3.14Å; I9-T11 VanDerWaalsContact O-N 3.17Å; T11-Y13 PolarHBondContact O-N 3.23Å
12F38.1Very low39.1Very low187 Ų187133.2 Ų133.282%0.8265%0.645SS**  trans-65.595.2164.1-112.4-96.7000108.5L10 L14L10-F12 PolarHBondContact O-N 3.05Å; F12-L14 PolarHBondContact O-N 2.9Å; F12-L14 VanDerWaalsContact O-N 3.07Å
13Y35.4Very low41.2Very low201 Ų201124.1 Ų124.179%0.78860%0.603SS**  trans-68.799.2160.4-95.4-91.4000107.4T11 I15T11-Y13 PolarHBondContact O-N 3.23Å; Y13-I15 PolarHBondContact O-N 2.9Å
14L34.2Very low43.5Very low151 Ų151116 Ų11679%0.79157%0.565SS**  trans-62.692.1157.3-91.6156.4000107F12 I16F12-L14 PolarHBondContact O-N 2.9Å; F12-L14 VanDerWaalsContact O-N 3.07Å; L14-I16 VanDerWaalsContact C-N 3.32Å; L14-I16 PolarHBondContact O-N 3.01Å
15I33.7Very low45.9Very low131 Ų131110.8 Ų110.867%0.67254%0.537SS*.  trans-67.797.9167.6-56.3178.7000106Y13 I17Y13-I15 PolarHBondContact O-N 2.9Å; I15-I17 HydrophobicContact CB-CG1 4.31Å; I15-I17 HydrophobicContact CG2-CD1 4.26Å; I15-I17 HydrophobicContact CG2-CG1 3.47Å; I15-I17 VanDerWaalsContact CG2-CG1 3.47Å; I15-I17 PolarHBondContact O-N 3.17Å
16I31Very low48.1Very low138 Ų138105.7 Ų105.771%0.70853%0.526SS*.  trans-69.389.5165.9-59.1174.6000106L14 N18L14-I16 VanDerWaalsContact C-N 3.32Å; L14-I16 PolarHBondContact O-N 3.01Å; I16-N18 PolarHBondContact O-N 2.85Å; I16-N18 VanDerWaalsContact O-N 3.14Å
17I33.8Very low50.3Low130 Ų13096.9 Ų96.967%0.66749%0.488SS*.  trans-75.4101.4173.4-54.6177000106.8I15 V19I15-I17 HydrophobicContact CB-CG1 4.31Å; I15-I17 HydrophobicContact CG2-CD1 4.26Å; I15-I17 HydrophobicContact CG2-CG1 3.47Å; I15-I17 VanDerWaalsContact CG2-CG1 3.47Å; I15-I17 PolarHBondContact O-N 3.17Å; I17-V19 HydrophobicContact CG2-CG2 4.29Å
18N32Very low52.4Low129 Ų12990 Ų9069%0.6945%0.452SS*.  trans-61.7129.4170.7-69.1-59.6000109.7I16I16-N18 PolarHBondContact O-N 2.85Å; I16-N18 VanDerWaalsContact O-N 3.14Å
19V28.2Very low54.6Low65 Ų6588.8 Ų88.839%0.39445%0.447SS..  trans-135.5129.4174.5-161.50000107.7I17 V28 F168I17-V19 HydrophobicContact CG2-CG2 4.29Å; V19-V28 WeakPolarHBondContact O-CG2 3.29Å; V19-F168 HydrophobicContact CB-CD2 4.49Å; V19-F168 HydrophobicContact CG1-CB 4.05Å; V19-F168 HydrophobicContact CG1-CD2 3.91Å; V19-F168 HydrophobicContact CG1-CG 4.39Å
20Q33.1Very low56.8Low45 Ų4584.7 Ų84.721%0.2143%0.427CS..  trans-148.5146.1-174.2-30.2175.9-65.100114.2K25 V28 L150 F168Q20-K25 PolarHBondContact NE2-O 3.47Å; Q20-K25 VanDerWaalsContact OE1-CG 3.27Å; Q20-V28 HydrophobicContact CB-CB 3.77Å; Q20-V28 HydrophobicContact CB-CG1 3.58Å; Q20-V28 HydrophobicContact CB-CG2 3.89Å; Q20-V28 HydrophobicContact CG-CB 4.28Å; Q20-V28 HydrophobicContact CG-CG1 3.52Å; Q20-L150 VanDerWaalsContact C-CG 3.5Å; Q20-L150 HydrophobicContact CB-CB 4.44Å; Q20-L150 HydrophobicContact CB-CD1 3.03Å; Q20-L150 HydrophobicContact CB-CD2 3.44Å; Q20-L150 VanDerWaalsContact CB-CD2 3.44Å; Q20-L150 HydrophobicContact CB-CG 3.64Å; Q20-L150 HydrophobicContact CG-CD1 4.16Å; Q20-L150 HydrophobicContact CG-CD2 4.11Å; Q20-L150 WeakPolarHBondContact O-CB 3.16Å; Q20-L150 VanDerWaalsContact O-CD2 3.25Å; Q20-L150 WeakPolarHBondContact O-CD2 3.05Å; Q20-L150 VanDerWaalsContact O-CG 3.26Å; Q20-L150 WeakPolarHBondContact O-CG 3.08Å; Q20-F168 WeakPolarHBondContact O-CB 3.21Å
21C41.5Very low58.9Low0 Ų077.9 Ų77.90%039%0.391CS..  trans-106-175-160.3-173.10000120.2I23 V28 I31 L150 L152 F168C21-I23 HydrophobicContact CB-CB 3.59Å; C21-I23 HydrophobicContact CB-CG1 3.29Å; C21-I23 CarbonylContact O-C 3.41Å; C21-I23 PolarHBondContact O-N 3.24Å; C21-I23 WeakPolarHBondContact SG-CG1 3.41Å; C21-V28 HydrophobicContact CB-CG2 4.41Å; C21-I31 HydrophobicContact CB-CD1 3.97Å; C21-L150 CarbonylContact C-O 3.3Å; C21-L150 CarbonylContact O-C 3.49Å; C21-L150 WeakPolarHBondContact O-CA 3.09Å; C21-L150 WeakPolarHBondContact O-CB 3.45Å; C21-L150 WeakPolarHBondContact O-CD1 3.35Å; C21-L150 PolarHBondContact O-N 3.29Å; C21-L152 VanDerWaalsContact SG-CG 3.56Å; C21-F168 VanDerWaalsContact CA-CD1 3.42Å; C21-F168 HydrophobicContact CB-CB 4.18Å; C21-F168 HydrophobicContact CB-CD1 3.04Å; C21-F168 HydrophobicContact CB-CD2 3.93Å; C21-F168 HydrophobicContact CB-CE1 3.1Å; C21-F168 HydrophobicContact CB-CE2 3.98Å; C21-F168 HydrophobicContact CB-CG 3.49Å; C21-F168 VanDerWaalsContact CB-CG 3.49Å; C21-F168 HydrophobicContact CB-CZ 3.57Å; C21-F168 WeakPolarHBondContact SG-CD1 3.25Å; C21-F168 WeakPolarHBondContact SG-CE1 3.5Å
22L61.1Low60.9Low5 Ų576.2 Ų76.23%0.02638%0.381CS..SBendtrans-44.8-17.2164.1177.660.7000113.9W81 Y149 L150 L176 F179 I180 Y183L22-W81 HydrophobicContact CD2-CH2 3.81Å; L22-W81 HydrophobicContact CD2-CZ2 4.35Å; L22-Y149 WeakPolarHBondContact O-CD1 3.33Å; L22-L150 WeakPolarHBondContact CA-O 3.36Å; L22-L150 PolarHBondContact N-O 3.47Å; L22-L176 HydrophobicContact CD1-CD1 4.35Å; L22-F179 HydrophobicContact CB-CE1 4.44Å; L22-F179 HydrophobicContact CD2-CE1 4.5Å; L22-I180 HydrophobicContact CD1-CD1 4.07Å; L22-I180 HydrophobicContact CD1-CG1 3.53Å; L22-Y183 HydrophobicContact CD2-CD1 3.96Å; L22-Y183 HydrophobicContact CD2-CE1 4.01Å; L22-Y183 HydrophobicContact CD2-CG 4.46Å
23I84.7Confident62.7Low1 Ų168.6 Ų68.61%0.00535%0.353CS..SBendtrans-65.6135.3171.4-53.3-68000109.5C21 K25 C27 V28 I31 F85 F86 I435C21-I23 HydrophobicContact CB-CB 3.59Å; C21-I23 HydrophobicContact CB-CG1 3.29Å; C21-I23 CarbonylContact O-C 3.41Å; C21-I23 PolarHBondContact O-N 3.24Å; C21-I23 WeakPolarHBondContact SG-CG1 3.41Å; I23-K25 PolarHBondContact O-N 3.07Å; I23-C27 HydrophobicContact CG2-CB 3.84Å; I23-V28 HydrophobicContact CG2-CB 4.39Å; I23-I31 HydrophobicContact CB-CD1 4.26Å; I23-I31 HydrophobicContact CD1-CD1 4.28Å; I23-I31 HydrophobicContact CD1-CG1 4.25Å; I23-I31 HydrophobicContact CG1-CD1 3.65Å; I23-I31 HydrophobicContact CG1-CG1 4.09Å; I23-I31 HydrophobicContact CG2-CD1 4.16Å; I23-I31 HydrophobicContact CG2-CG1 4.22Å; I23-F85 HydrophobicContact CD1-CB 3.86Å; I23-F85 HydrophobicContact CD1-CD1 3.92Å; I23-F85 HydrophobicContact CD1-CG 3.94Å; I23-F86 HydrophobicContact CB-CE2 4.33Å; I23-F86 HydrophobicContact CB-CZ 4.46Å; I23-F86 HydrophobicContact CD1-CD2 3.98Å; I23-F86 HydrophobicContact CD1-CE2 3.22Å; I23-F86 HydrophobicContact CD1-CZ 3.9Å; I23-F86 HydrophobicContact CG1-CE2 4.14Å; I23-F86 HydrophobicContact CG1-CZ 4.45Å; I23-F86 HydrophobicContact CG2-CE2 3.59Å; I23-F86 HydrophobicContact CG2-CZ 3.37Å; I23-I435 HydrophobicContact CD1-CD1 3.61Å
24P90.1Very high64.8Low4 Ų462.6 Ų62.63%0.02633%0.333CS..BIsolated β-bridgetrans-46.3132.6167.8-28.535.8000111.1L26 C27 I99 Y149 I435P24-L26 PolarHBondContact O-N 3.18Å; P24-C27 PolarHBondContact O-N 3.45Å; P24-I99 HydrophobicContact CB-CB 4.49Å; P24-I99 HydrophobicContact CB-CG1 3.99Å; P24-I99 HydrophobicContact CB-CG2 4.42Å; P24-I99 HydrophobicContact CG-CB 4.24Å; P24-I99 HydrophobicContact CG-CD1 3.78Å; P24-I99 HydrophobicContact CG-CG1 3.67Å; P24-Y149 HydrophobicContact CB-CE1 4.47Å; P24-Y149 HydrophobicContact CG-CD1 4.22Å; P24-Y149 HydrophobicContact CG-CE1 3.75Å; P24-I435 VanDerWaalsContact CD-CG2 3.48Å; P24-I435 HydrophobicContact CG-CG2 3.69Å
25K91.4Very high67Low45 Ų4559 Ų5920%0.19633%0.333CS..G310 helixtrans-43.9-39.2178.7-77-178.1168.5173.50112Q20 I23 C27 T147 D148 L150 D170Q20-K25 PolarHBondContact NE2-O 3.47Å; Q20-K25 VanDerWaalsContact OE1-CG 3.27Å; I23-K25 PolarHBondContact O-N 3.07Å; K25-C27 VanDerWaalsContact C-N 3.26Å; K25-C27 PolarHBondContact O-N 3.43Å; K25-T147 WeakPolarHBondContact CE-O 3.39Å; K25-T147 PolarHBondContact NZ-O 3.4Å; K25-D148 WeakPolarHBondContact CG-O 3.2Å; K25-D148 PolarHBondContact N-O 2.86Å; K25-L150 HydrophobicContact CB-CD1 4.08Å; K25-L150 HydrophobicContact CD-CD1 4.39Å; K25-L150 HydrophobicContact CD-CG 4.43Å; K25-L150 HydrophobicContact CG-CD1 3.28Å; K25-L150 HydrophobicContact CG-CD2 4.22Å; K25-L150 HydrophobicContact CG-CG 3.79Å; K25-D170 WeakPolarHBondContact CE-OD2 3.33Å; K25-D170 VanDerWaalsContact NZ-CG 3.29Å; K25-D170 IonicContact NZ-OD1 2.86Å; K25-D170 PolarHBondContact NZ-OD1 3.07Å; K25-D170 VanDerWaalsContact NZ-OD1 3.12Å; K25-D170 IonicContact NZ-OD2 3.84Å; K25-D170 PolarHBondContact NZ-OD2 2.75Å
26L89.8Confident69.5Low122 Ų12253.5 Ų53.564%0.63931%0.309SS*.G310 helixtrans-64.8-18.5179.3-60.7176.5000115.4P24 P42P24-L26 PolarHBondContact O-N 3.18Å; L26-P42 HydrophobicContact CB-CB 4.14Å; L26-P42 HydrophobicContact CB-CG 4.48Å; L26-P42 HydrophobicContact CD1-CB 3.97Å; L26-P42 HydrophobicContact CD1-CG 4.32Å
27C91.5Very high72.4Confident1 Ų150.2 Ų50.21%0.00730%0.298CS..G310 helixtrans-115.5-5.5-171.2-69.80000114.7I23 P24 K25 N29 N30 C40 F86I23-C27 HydrophobicContact CG2-CB 3.84Å; P24-C27 PolarHBondContact O-N 3.45Å; K25-C27 VanDerWaalsContact C-N 3.26Å; K25-C27 PolarHBondContact O-N 3.43Å; C27-N29 VanDerWaalsContact C-N 3.32Å; C27-N29 PolarHBondContact O-N 3.09Å; C27-N30 WeakPolarHBondContact O-CB 3.47Å; C27-N30 PolarHBondContact O-N 3.15Å; C27-C40 HydrophobicContact CB-CB 3.66Å; C27-C40 WeakPolarHBondContact CB-SG 2.97Å; C27-C40 WeakPolarHBondContact SG-CA 3.02Å; C27-C40 WeakPolarHBondContact SG-CB 3.25Å; C27-C40 CovalentContact SG-SG 2.02Å; C27-C40 PolarHBondContact SG-SG 3.04Å; C27-F86 HydrophobicContact CB-CE1 4.17Å; C27-F86 HydrophobicContact CB-CE2 4.37Å; C27-F86 HydrophobicContact CB-CZ 3.65Å; C27-F86 WeakPolarHBondContact O-CE1 3.25Å; C27-F86 WeakPolarHBondContact O-CZ 3.47Å
28V87.3Confident75.2Confident0 Ų044 Ų440%027%0.267CS..G310 helixtrans-57.1-42.7-17362.50000113.7V19 Q20 C21 I23 N30 I31 I34 F168V19-V28 WeakPolarHBondContact O-CG2 3.29Å; Q20-V28 HydrophobicContact CB-CB 3.77Å; Q20-V28 HydrophobicContact CB-CG1 3.58Å; Q20-V28 HydrophobicContact CB-CG2 3.89Å; Q20-V28 HydrophobicContact CG-CB 4.28Å; Q20-V28 HydrophobicContact CG-CG1 3.52Å; C21-V28 HydrophobicContact CB-CG2 4.41Å; I23-V28 HydrophobicContact CG2-CB 4.39Å; V28-N30 PolarHBondContact O-N 3.02Å; V28-I31 HydrophobicContact CB-CD1 4.38Å; V28-I31 HydrophobicContact CG2-CD1 3.66Å; V28-I31 WeakPolarHBondContact O-CB 3.43Å; V28-I31 WeakPolarHBondContact O-CD1 3.47Å; V28-I31 WeakPolarHBondContact O-CG1 3.37Å; V28-I31 PolarHBondContact O-N 3.45Å; V28-I34 WeakPolarHBondContact O-CD1 3.44Å; V28-F168 HydrophobicContact CG2-CD2 4.01Å; V28-F168 HydrophobicContact CG2-CE2 3.75Å; V28-F168 HydrophobicContact CG2-CZ 4.5Å
29N87.5Confident78.2Confident118 Ų11840.9 Ų40.963%0.63125%0.249SC*.G310 helixtrans-65.3-12.2-179-63-22.2000112.8C27 G36C27-N29 VanDerWaalsContact C-N 3.32Å; C27-N29 PolarHBondContact O-N 3.09Å; N29-G36 WeakPolarHBondContact O-CA 3.04Å
30N89.2Confident81.4Confident56 Ų5637.8 Ų37.830%0.29923%0.23SC..G310 helixtrans-995.7179.3-61.8-20.3000113C27 V28 T32 G36 G38 I39 F86C27-N30 WeakPolarHBondContact O-CB 3.47Å; C27-N30 PolarHBondContact O-N 3.15Å; V28-N30 PolarHBondContact O-N 3.02Å; N30-T32 PolarHBondContact O-N 2.95Å; N30-G36 CarbonylContact O-C 3.58Å; N30-G38 VanDerWaalsContact O-CA 3.22Å; N30-G38 WeakPolarHBondContact O-CA 3.38Å; N30-G38 PolarHBondContact O-N 2.96Å; N30-I39 WeakPolarHBondContact CB-O 3.35Å; N30-I39 PolarHBondContact ND2-O 2.04Å; N30-F86 HydrophobicContact CB-CE1 4.09Å
31I83.8Confident84.4Confident0 Ų036.5 Ų36.50%023%0.226CC..  trans-67.3130.2177.1-65164.3000110.1C21 I23 V28 A33 I34 G36 F85 F86 F168C21-I31 HydrophobicContact CB-CD1 3.97Å; I23-I31 HydrophobicContact CB-CD1 4.26Å; I23-I31 HydrophobicContact CD1-CD1 4.28Å; I23-I31 HydrophobicContact CD1-CG1 4.25Å; I23-I31 HydrophobicContact CG1-CD1 3.65Å; I23-I31 HydrophobicContact CG1-CG1 4.09Å; I23-I31 HydrophobicContact CG2-CD1 4.16Å; I23-I31 HydrophobicContact CG2-CG1 4.22Å; V28-I31 HydrophobicContact CB-CD1 4.38Å; V28-I31 HydrophobicContact CG2-CD1 3.66Å; V28-I31 WeakPolarHBondContact O-CB 3.43Å; V28-I31 WeakPolarHBondContact O-CD1 3.47Å; V28-I31 WeakPolarHBondContact O-CG1 3.37Å; V28-I31 PolarHBondContact O-N 3.45Å; I31-A33 VanDerWaalsContact C-N 3.33Å; I31-A33 HydrophobicContact CG2-CB 4.09Å; I31-A33 PolarHBondContact O-N 2.81Å; I31-I34 HydrophobicContact CB-CD1 4.26Å; I31-I34 HydrophobicContact CB-CG1 3.99Å; I31-I34 HydrophobicContact CG2-CG1 4.47Å; I31-I34 VanDerWaalsContact O-CG1 3.26Å; I31-I34 WeakPolarHBondContact O-CG1 3.42Å; I31-I34 PolarHBondContact O-N 3.42Å; I31-G36 VanDerWaalsContact O-CA 3.3Å; I31-G36 WeakPolarHBondContact O-CA 3.22Å; I31-G36 PolarHBondContact O-N 3.05Å; I31-F85 HydrophobicContact CG2-CD1 4.07Å; I31-F86 HydrophobicContact CG1-CE1 4Å; I31-F86 HydrophobicContact CG1-CE2 4.46Å; I31-F86 HydrophobicContact CG1-CZ 3.71Å; I31-F168 HydrophobicContact CD1-CE1 4.32Å; I31-F168 HydrophobicContact CD1-CE2 3.99Å; I31-F168 HydrophobicContact CD1-CZ 3.52Å
32T81.6Confident87Confident71 Ų7137.2 Ų37.244%0.43623%0.231SC..G310 helixtrans-59.1-41.6-176.4-47.60000112.7N30 I34 G35 G38 F85N30-T32 PolarHBondContact O-N 2.95Å; T32-I34 PolarHBondContact O-N 2.99Å; T32-I34 VanDerWaalsContact O-N 3.11Å; T32-G35 PolarHBondContact O-N 3.27Å; T32-G38 WeakPolarHBondContact OG1-CA 3.14Å; T32-F85 PolarHBondContact N-O 3.25Å; T32-F85 VanDerWaalsContact N-O 3.07Å; T32-F85 PolarHBondContact OG1-O 2.84Å
33A76.3Confident88.7Confident27 Ų2741.4 Ų41.422%0.22325%0.252CS..G310 helixtrans-62.9-16.2-178.100000115.3I31 L163 P166I31-A33 VanDerWaalsContact C-N 3.33Å; I31-A33 HydrophobicContact CG2-CB 4.09Å; I31-A33 PolarHBondContact O-N 2.81Å; A33-L163 WeakPolarHBondContact CB-O 3.47Å; A33-P166 HydrophobicContact CB-CG 4.44Å
34I79Confident89Confident75 Ų7541.7 Ų41.739%0.38525%0.254SS..G310 helixtrans-111.116.5175.564.3173.8000112.4V28 I31 T32 P166V28-I34 WeakPolarHBondContact O-CD1 3.44Å; I31-I34 HydrophobicContact CB-CD1 4.26Å; I31-I34 HydrophobicContact CB-CG1 3.99Å; I31-I34 HydrophobicContact CG2-CG1 4.47Å; I31-I34 VanDerWaalsContact O-CG1 3.26Å; I31-I34 WeakPolarHBondContact O-CG1 3.42Å; I31-I34 PolarHBondContact O-N 3.42Å; T32-I34 PolarHBondContact O-N 2.99Å; T32-I34 VanDerWaalsContact O-N 3.11Å; I34-P166 HydrophobicContact CG2-CG 3.7Å
35G80.8Confident89Confident76 Ų7649.7 Ų49.778%0.78430%0.296SS*.THydrogen-bonded Turntrans8510.8-179.500000114.7T32T32-G35 PolarHBondContact O-N 3.27Å
36G85.4Confident88.9Confident16 Ų1652 Ų5217%0.16533%0.333CS..  trans-73167.5175.300000113.1N29 N30 I31 G38N29-G36 WeakPolarHBondContact O-CA 3.04Å; N30-G36 CarbonylContact O-C 3.58Å; I31-G36 VanDerWaalsContact O-CA 3.3Å; I31-G36 WeakPolarHBondContact O-CA 3.22Å; I31-G36 PolarHBondContact O-N 3.05Å; G36-G38 PolarHBondContact O-N 3.39Å
37S91.6Very high89.1Confident69 Ų6947.5 Ų47.548%0.48331%0.312SS..  trans-68.7-13.6-174.759.40000115.4I39S37-I39 PolarHBondContact O-N 3.39Å; S37-I39 PolarHBondContact OG-N 3.37Å
38G92.7Very high89.2Confident0 Ų056.5 Ų56.50%035%0.351CS..SBendtrans74.73.4-167.700000113.7N30 T32 G36 F86 N87 H88N30-G38 VanDerWaalsContact O-CA 3.22Å; N30-G38 WeakPolarHBondContact O-CA 3.38Å; N30-G38 PolarHBondContact O-N 2.96Å; T32-G38 WeakPolarHBondContact OG1-CA 3.14Å; G36-G38 PolarHBondContact O-N 3.39Å; G38-F86 CarbonylContact O-C 3.51Å; G38-F86 VanDerWaalsContact O-CA 3.27Å; G38-F86 WeakPolarHBondContact O-CA 3.03Å; G38-F86 WeakPolarHBondContact O-CB 3.37Å; G38-N87 VanDerWaalsContact C-OD1 3.31Å; G38-N87 PolarHBondContact O-N 3.35Å; G38-N87 PolarHBondContact O-OD1 2.97Å; G38-H88 PolarHBondContact O-N 3.1Å
39I95.6Very high89.6Confident63 Ų6363.6 Ų63.632%0.32338%0.379SS..EExtended strand (participates in β ladder)trans-102.8110.5-174.8-57176.3000110.7N30 S37 C41 H88N30-I39 WeakPolarHBondContact CB-O 3.35Å; N30-I39 PolarHBondContact ND2-O 2.04Å; S37-I39 PolarHBondContact O-N 3.39Å; S37-I39 PolarHBondContact OG-N 3.37Å; I39-C41 HydrophobicContact CG2-CB 3.97Å; I39-H88 HydrophobicContact CB-CB 4.32Å; I39-H88 HydrophobicContact CG1-CB 4.1Å; I39-H88 HydrophobicContact CG2-CB 4.08Å
40C95Very high90Very high0 Ų060.8 Ų60.80%037%0.367CS..EExtended strand (participates in β ladder)trans-106.275.8173.1177.90000110.5C27 P42 F86 H88 F89 I99C27-C40 HydrophobicContact CB-CB 3.66Å; C27-C40 WeakPolarHBondContact CB-SG 2.97Å; C27-C40 WeakPolarHBondContact SG-CA 3.02Å; C27-C40 WeakPolarHBondContact SG-CB 3.25Å; C27-C40 CovalentContact SG-SG 2.02Å; C27-C40 PolarHBondContact SG-SG 3.04Å; C40-P42 VanDerWaalsContact C-CD 3.46Å; C40-P42 WeakPolarHBondContact O-CD 3.28Å; C40-F86 HydrophobicContact CB-CD1 3.73Å; C40-F86 HydrophobicContact CB-CD2 4.15Å; C40-F86 HydrophobicContact CB-CE1 3.78Å; C40-F86 HydrophobicContact CB-CE2 4.1Å; C40-F86 HydrophobicContact CB-CG 3.92Å; C40-F86 HydrophobicContact CB-CZ 3.95Å; C40-H88 PolarHBondContact N-O 3.03Å; C40-F89 HydrophobicContact CB-CD1 3.69Å; C40-F89 HydrophobicContact CB-CE1 3.57Å; C40-F89 HydrophobicContact CB-CZ 4.49Å; C40-F89 WeakPolarHBondContact O-CA 3.48Å; C40-I99 WeakPolarHBondContact SG-CD1 3.48Å
41C96.5Very high90.3Very high17 Ų1758.1 Ų58.112%0.11535%0.353CS..  trans-126.669.4-179.7-65.50000111.7I39 P50 C59I39-C41 HydrophobicContact CG2-CB 3.97Å; C41-P50 HydrophobicContact CB-CB 4.3Å; C41-C59 HydrophobicContact CB-CB 3.57Å; C41-C59 WeakPolarHBondContact CB-SG 3.38Å; C41-C59 VanDerWaalsContact SG-CA 3.52Å; C41-C59 WeakPolarHBondContact SG-CB 3.42Å; C41-C59 CovalentContact SG-SG 2.03Å; C41-C59 PolarHBondContact SG-SG 3Å
42P95.8Very high90.9Very high16 Ų1658.7 Ų58.710%0.10436%0.359CS..PPolyproline II helixtrans-62.5150.5-178.120.2-27.4000112.8L26 C40 C51 I99L26-P42 HydrophobicContact CB-CB 4.14Å; L26-P42 HydrophobicContact CB-CG 4.48Å; L26-P42 HydrophobicContact CD1-CB 3.97Å; L26-P42 HydrophobicContact CD1-CG 4.32Å; C40-P42 VanDerWaalsContact C-CD 3.46Å; C40-P42 WeakPolarHBondContact O-CD 3.28Å; P42-C51 PolarHBondContact O-N 2.77Å; P42-I99 WeakPolarHBondContact CD-O 3.47Å; P42-I99 HydrophobicContact CG-CB 4.42Å; P42-I99 HydrophobicContact CG-CG1 3.94Å; P42-I99 HydrophobicContact CG-CG2 4Å
43I96.1Very high91.6Very high93 Ų9355.5 Ų55.548%0.47734%0.34SS..PPolyproline II helixtrans-85.1118.4172.9-58.9174.5000107.7S47 P50I43-S47 WeakPolarHBondContact CG2-O 3.02Å; I43-P50 HydrophobicContact CG1-CG 4.3Å
44P92.6Very high92.4Very high6 Ų659.6 Ų59.64%0.03936%0.364CS..PPolyproline II helixtrans-69.7150.8178.228.7-33.1000111.3G46 S47 G52 S100 N102P44-G46 PolarHBondContact O-N 2.85Å; P44-S47 WeakPolarHBondContact O-CB 2.96Å; P44-S47 PolarHBondContact O-N 3.34Å; P44-G52 VanDerWaalsContact CD-N 3.33Å; P44-S100 WeakPolarHBondContact CG-O 3.48Å; P44-N102 HydrophobicContact CB-CB 3.84Å
45N89.1Confident93.1Very high172 Ų17257.8 Ų57.892%0.9236%0.364SS*.THydrogen-bonded Turntrans-53.3128177.2-74.1-12000111.3
46G89.7Confident93.8Very high94 Ų9456.3 Ų56.397%0.96934%0.337SS*.THydrogen-bonded Turntrans87.6-4.9-178.500000115.1P44P44-G46 PolarHBondContact O-N 2.85Å
47S93Very high94.3Very high28 Ų2855.6 Ų55.620%0.19633%0.329CS..  trans-98.3154.3170.3-176.70000111.5I43 P44 Y49 G52I43-S47 WeakPolarHBondContact CG2-O 3.02Å; P44-S47 WeakPolarHBondContact O-CB 2.96Å; P44-S47 PolarHBondContact O-N 3.34Å; S47-Y49 PolarHBondContact OG-N 2.03Å; S47-Y49 PolarHBondContact OG-O 2.85Å; S47-G52 PolarHBondContact OG-O 3.27Å
48K94.2Very high94.6Very high189 Ų18953.9 Ų53.982%0.82232%0.316SS*.SBendtrans-98.9-8.9166.5-64.3-176.7179.7-179.40112.6
49Y95.6Very high94.8Very high150 Ų15056.3 Ų56.359%0.58833%0.332SS*.SBendtrans-112.3140.1-172.8-58.6-74.1000111S47 C51 G52S47-Y49 PolarHBondContact OG-N 2.03Å; S47-Y49 PolarHBondContact OG-O 2.85Å; Y49-C51 PolarHBondContact O-N 2.98Å; Y49-G52 PolarHBondContact O-N 2.76Å; Y49-G52 VanDerWaalsContact O-N 3.15Å
50P95.6Very high94.9Very high58 Ų5856.8 Ų56.838%0.37733%0.333SS..G310 helixtrans-49.4138.7168-26.935.4000110.8C41 I43 G52 G53 C59C41-P50 HydrophobicContact CB-CB 4.3Å; I43-P50 HydrophobicContact CG1-CG 4.3Å; P50-G52 PolarHBondContact O-N 3.1Å; P50-G52 VanDerWaalsContact O-N 3.09Å; P50-G53 PolarHBondContact O-N 3.25Å; P50-C59 HydrophobicContact CB-CB 4.47Å
51C96.8Very high94.9Very high0 Ų064.7 Ų64.70%037%0.368CS..G310 helixtrans62.214.9177.8-45.10000115.3P42 Y49 G53 G57 C90 S100 C101P42-C51 PolarHBondContact O-N 2.77Å; Y49-C51 PolarHBondContact O-N 2.98Å; C51-G53 VanDerWaalsContact C-N 3.27Å; C51-G53 PolarHBondContact O-N 3.03Å; C51-G57 WeakPolarHBondContact CB-O 3.45Å; C51-G57 CarbonylContact O-C 3.56Å; C51-G57 WeakPolarHBondContact O-CA 3.45Å; C51-G57 PolarHBondContact O-N 2.91Å; C51-C90 WeakPolarHBondContact CA-SG 3.44Å; C51-C90 HydrophobicContact CB-CB 3.54Å; C51-C90 WeakPolarHBondContact CB-SG 3.4Å; C51-C90 WeakPolarHBondContact SG-CA 3.48Å; C51-C90 WeakPolarHBondContact SG-CB 3.19Å; C51-C90 CovalentContact SG-SG 2.03Å; C51-C90 PolarHBondContact SG-SG 2.04Å; C51-S100 CarbonylContact C-O 3.56Å; C51-C101 WeakPolarHBondContact O-CB 3.48Å
52G95.6Very high94.8Very high13 Ų1365.6 Ų65.613%0.13437%0.37CS..G310 helixtrans88.4-15.5-176.700000114.1P44 S47 Y49 P50P44-G52 VanDerWaalsContact CD-N 3.33Å; S47-G52 PolarHBondContact OG-O 3.27Å; Y49-G52 PolarHBondContact O-N 2.76Å; Y49-G52 VanDerWaalsContact O-N 3.15Å; P50-G52 PolarHBondContact O-N 3.1Å; P50-G52 VanDerWaalsContact O-N 3.09Å
53G95.6Very high94.7Very high4 Ų470.2 Ų70.24%0.04139%0.386CS..BIsolated β-bridgetrans82.9173.5-175.700000113.2P50 C51 G55 Q56 G57P50-G53 PolarHBondContact O-N 3.25Å; C51-G53 VanDerWaalsContact C-N 3.27Å; C51-G53 PolarHBondContact O-N 3.03Å; G53-G55 PolarHBondContact O-N 2.95Å; G53-Q56 PolarHBondContact O-N 3.03Å; G53-G57 CarbonylContact C-O 3.1Å; G53-G57 WeakPolarHBondContact CA-O 3.4Å; G53-G57 PolarHBondContact N-O 3.48Å; G53-G57 PolarHBondContact O-N 3.41Å
54P94.4Very high94.4Very high113 Ų11367.3 Ų67.373%0.73437%0.373SS*.THydrogen-bonded Turntrans-51.4135.4-179.3-26.434.9000112.3T58P54-T58 HydrophobicContact CG-CG2 4.24Å
55G92.8Very high94.3Very high37 Ų3768.9 Ų68.938%0.38138%0.38SS..THydrogen-bonded Turntrans95.7-24.3-172.200000114.3G53 E93 Y96G53-G55 PolarHBondContact O-N 2.95Å; G55-E93 WeakPolarHBondContact CA-OE2 3.03Å; G55-E93 PolarHBondContact N-OE1 3.2Å; G55-E93 PolarHBondContact N-OE2 3.43Å; G55-Y96 WeakPolarHBondContact O-CE2 3.32Å
56Q95.5Very high94.2Very high45 Ų4566.8 Ų66.821%0.2137%0.367CS..THydrogen-bonded Turntrans-112.8-48172.3-175170.11.300111.4G53 E93 Y96 C101G53-Q56 PolarHBondContact O-N 3.03Å; Q56-E93 PolarHBondContact O-N 3.3Å; Q56-Y96 HydrophobicContact CB-CD2 4.33Å; Q56-Y96 HydrophobicContact CB-CE2 4.31Å; Q56-Y96 HydrophobicContact CG-CD1 3.87Å; Q56-Y96 HydrophobicContact CG-CD2 4.09Å; Q56-Y96 HydrophobicContact CG-CE1 4.07Å; Q56-Y96 HydrophobicContact CG-CE2 4.28Å; Q56-Y96 HydrophobicContact CG-CG 3.88Å; Q56-C101 HydrophobicContact CG-CB 3.98Å; Q56-C101 WeakPolarHBondContact CG-O 3.42Å; Q56-C101 PolarHBondContact NE2-O 3.25Å
57G97Very high93.9Very high0 Ų064.1 Ų64.10%033%0.331CS..EExtended strand (participates in β ladder)trans176.6158.5176.900000112.9C51 G53 K91C51-G57 WeakPolarHBondContact CB-O 3.45Å; C51-G57 CarbonylContact O-C 3.56Å; C51-G57 WeakPolarHBondContact O-CA 3.45Å; C51-G57 PolarHBondContact O-N 2.91Å; G53-G57 CarbonylContact C-O 3.1Å; G53-G57 WeakPolarHBondContact CA-O 3.4Å; G53-G57 PolarHBondContact N-O 3.48Å; G53-G57 PolarHBondContact O-N 3.41Å; G57-K91 VanDerWaalsContact CA-O 3.25Å; G57-K91 WeakPolarHBondContact CA-O 3.2Å
58T97.3Very high93.7Very high34 Ų3474.4 Ų74.421%0.20937%0.365CS..EExtended strand (participates in β ladder)trans-129.3146.2179.748.70000110.6P54 Q60 K91P54-T58 HydrophobicContact CG-CG2 4.24Å; T58-Q60 PolarHBondContact O-N 2.03Å; T58-Q60 PolarHBondContact OG1-NE2 3.17Å; T58-K91 PolarHBondContact N-O 2.91Å; T58-K91 PolarHBondContact O-N 3.18Å
59C97.2Very high93.4Very high50 Ų5067.2 Ų67.234%0.33834%0.335SS..EExtended strand (participates in β ladder)trans-74.4119.3174.6-173.10000109.1C41 P50C41-C59 HydrophobicContact CB-CB 3.57Å; C41-C59 WeakPolarHBondContact CB-SG 3.38Å; C41-C59 VanDerWaalsContact SG-CA 3.52Å; C41-C59 WeakPolarHBondContact SG-CB 3.42Å; C41-C59 CovalentContact SG-SG 2.03Å; C41-C59 PolarHBondContact SG-SG 3Å; P50-C59 HydrophobicContact CB-CB 4.47Å
60Q96.5Very high93.1Very high74 Ų7462.2 Ų62.235%0.34632%0.321SS..EExtended strand (participates in β ladder)trans-135.6159.3-175.9-60.3-16910.400110.9T58 E62 H88 F89 K91T58-Q60 PolarHBondContact O-N 2.03Å; T58-Q60 PolarHBondContact OG1-NE2 3.17Å; Q60-E62 PolarHBondContact O-N 3.2Å; Q60-H88 VanDerWaalsContact C-CD2 3.45Å; Q60-H88 CarbonylContact O-C 3.56Å; Q60-H88 WeakPolarHBondContact O-CA 3.2Å; Q60-H88 WeakPolarHBondContact O-CB 3.41Å; Q60-F89 PolarHBondContact N-O 2.85Å; Q60-F89 PolarHBondContact O-N 3.46Å; Q60-F89 VanDerWaalsContact O-O 3.13Å; Q60-K91 HydrophobicContact CB-CB 4.3Å; Q60-K91 VanDerWaalsContact CD-CD 3.49Å; Q60-K91 HydrophobicContact CG-CB 4.14Å
61K96.1Very high92.7Very high166 Ų16667.8 Ų67.872%0.72234%0.34SS*.EExtended strand (participates in β ladder)trans-62.2131.7171-173.1177.9-179.1178.70109.3N87 H88K61-N87 WeakPolarHBondContact CA-O 3.38Å; K61-H88 PolarHBondContact N-CD2 3.23Å; K61-H88 VanDerWaalsContact N-CD2 3.3Å
62E94.3Very high92.3Very high35 Ų3571.4 Ų71.416%0.16435%0.354CS..PPolyproline II helixtrans-67.9136.4-179.6-175.652-153.400110.8Q60 T64 P82 N87 F89 N430 T437Q60-E62 PolarHBondContact O-N 3.2Å; E62-T64 PolarHBondContact O-N 2.93Å; E62-P82 HydrophobicContact CG-CG 4.5Å; E62-N87 PolarHBondContact N-O 3.27Å; E62-F89 HydrophobicContact CB-CD2 3.9Å; E62-F89 HydrophobicContact CB-CE2 4.45Å; E62-F89 HydrophobicContact CG-CD2 3.83Å; E62-F89 HydrophobicContact CG-CE2 4.2Å; E62-N430 PolarHBondContact OE1-ND2 2.87Å; E62-T437 HydrophobicContact CG-CG2 4.29Å; E62-T437 WeakPolarHBondContact OE1-CB 3.35Å; E62-T437 PolarHBondContact OE1-OG1 2.79Å; E62-T437 PolarHBondContact OE2-OG1 3.42Å
63Y92.9Very high91.9Very high113 Ų11371.1 Ų71.144%0.44335%0.35SS..PPolyproline II helixtrans-76.7122.5169.3177.8-87.2000108.9Q65 E428 N430 K439Y63-Q65 HydrophobicContact CE1-CB 4.37Å; Y63-Q65 PolarHBondContact OH-OE1 3.09Å; Y63-E428 HydrophobicContact CE1-CB 4.12Å; Y63-N430 PolarHBondContact O-ND2 2.71Å; Y63-K439 VanDerWaalsContact CD1-CE 3.44Å; Y63-K439 VanDerWaalsContact CD1-NZ 3.27Å
64T91.2Very high91.4Very high32 Ų3274.5 Ų74.520%0.19637%0.366CS..  trans-125.6120.2175.5-56.70000108.5E62 I66 N80E62-T64 PolarHBondContact O-N 2.93Å; T64-I66 PolarHBondContact O-N 3.29Å; T64-N80 HydrophobicContact CG2-CB 3.63Å; T64-N80 WeakPolarHBondContact CG2-O 3.48Å
65Q89.7Confident90.8Very high39 Ų3974.8 Ų74.818%0.18236%0.359CS..  trans-64.9123.5169.6-176.867.235.500108.4Y63 N80 C426Y63-Q65 HydrophobicContact CE1-CB 4.37Å; Y63-Q65 PolarHBondContact OH-OE1 3.09Å; Q65-N80 PolarHBondContact O-OD1 2.97Å; Q65-C426 VanDerWaalsContact CG-SG 3.58Å
66I87.3Confident90.6Very high128 Ų12873.2 Ų73.266%0.65634%0.342SS*.  trans-89.7111.8177.1-57.3178.3000108T64T64-I66 PolarHBondContact O-N 3.29Å
67D83.5Confident90.3Very high38 Ų3871.2 Ų71.220%0.20333%0.332CS..  trans-90.5154.7171-74-34.2000110.9I69 N80 L423 G424D67-I69 VanDerWaalsContact C-N 3.34Å; D67-I69 PolarHBondContact O-N 2.84Å; D67-N80 PolarHBondContact N-OD1 3.31Å; D67-L423 HydrophobicContact CB-CD2 3.65Å; D67-G424 PolarHBondContact OD2-N 3.13Å
68R88Confident90.1Very high244 Ų24471.3 Ų71.392%0.92133%0.333SS*.  trans-73.991.8168.3-174.8-179.7179.3-179.40.3108.8P70R68-P70 WeakPolarHBondContact O-CD 3.49Å
69I88.3Confident89.7Confident39 Ų3969.9 Ų69.920%0.232%0.324CS..  trans-77.2124.2-178.4-61.5155.5000109.7D67 L73 M79 N80D67-I69 VanDerWaalsContact C-N 3.34Å; D67-I69 PolarHBondContact O-N 2.84Å; I69-L73 HydrophobicContact CG2-CB 3.83Å; I69-M79 HydrophobicContact CD1-CB 3.75Å; I69-M79 HydrophobicContact CD1-CG 4.32Å; I69-M79 HydrophobicContact CG1-CB 4.3Å; I69-M79 HydrophobicContact CG1-CG 4.39Å; I69-M79 HydrophobicContact CG1-SD 4.16Å; I69-M79 HydrophobicContact CG2-CG 3.96Å; I69-M79 HydrophobicContact CG2-SD 4.04Å; I69-N80 VanDerWaalsContact CD1-ND2 3.33Å; I69-N80 WeakPolarHBondContact CD1-ND2 3.46Å
70P89.5Confident89.4Confident45 Ų4569.3 Ų69.329%0.29232%0.317SS..  trans-57.8140.5169-22.833.4000111.2R68 Y72 L73R68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-Y72 HydrophobicContact CB-CD1 3.6Å; P70-Y72 HydrophobicContact CB-CE1 3.2Å; P70-Y72 HydrophobicContact CB-CG 4.45Å; P70-Y72 HydrophobicContact CG-CE1 4Å; P70-Y72 PolarHBondContact O-N 3.18Å; P70-L73 HydrophobicContact CG-CD1 4.42Å; P70-L73 PolarHBondContact O-N 3.45Å
71F88.2Confident89.3Confident175 Ų17566.2 Ų66.277%0.76830%0.302SS*.G310 helixtrans-51.2-38.9-174.8178.7-101.4000113.7L73 I74F71-L73 PolarHBondContact O-N 3.28Å; F71-I74 VanDerWaalsContact O-CB 3.3Å; F71-I74 WeakPolarHBondContact O-CB 3.49Å; F71-I74 WeakPolarHBondContact O-CG2 3.25Å; F71-I74 PolarHBondContact O-N 2.8Å; F71-I74 VanDerWaalsContact O-N 3.1Å
72Y86.3Confident89.1Confident75 Ų7558.3 Ų58.329%0.29427%0.268SS..G310 helixtrans-65.8-21.9179.866-92.4000113.9P70 F190 R199P70-Y72 HydrophobicContact CB-CD1 3.6Å; P70-Y72 HydrophobicContact CB-CE1 3.2Å; P70-Y72 HydrophobicContact CB-CG 4.45Å; P70-Y72 HydrophobicContact CG-CE1 4Å; P70-Y72 PolarHBondContact O-N 3.18Å; Y72-F190 HydrophobicContact CD2-CE1 4.33Å; Y72-F190 AromaticContact CD2-CZ 3.94Å; Y72-F190 HydrophobicContact CD2-CZ 3.94Å; Y72-F190 WeakPolarHBondContact O-CE1 2.98Å; Y72-R199 HydrophobicContact CD2-CB 4.41Å; Y72-R199 HydrophobicContact CD2-CG 4.13Å; Y72-R199 HydrophobicContact CE2-CB 4.37Å; Y72-R199 HydrophobicContact CE2-CG 4.5Å; Y72-R199 VanDerWaalsContact CG-NH1 3.31Å
73L88.6Confident88.8Confident8 Ų858.9 Ų58.94%0.04228%0.276CS..G310 helixtrans-92.8-0.4175.8-66178.8000113.1I69 P70 F71 M75 D76 M79 T188 F190 L423I69-L73 HydrophobicContact CG2-CB 3.83Å; P70-L73 HydrophobicContact CG-CD1 4.42Å; P70-L73 PolarHBondContact O-N 3.45Å; F71-L73 PolarHBondContact O-N 3.28Å; L73-M75 PolarHBondContact O-N 2.74Å; L73-M75 VanDerWaalsContact O-N 3.09Å; L73-D76 WeakPolarHBondContact O-CB 3.43Å; L73-D76 PolarHBondContact O-N 3.04Å; L73-M79 HydrophobicContact CB-CG 4.28Å; L73-M79 HydrophobicContact CB-SD 4.18Å; L73-M79 HydrophobicContact CD1-SD 4.41Å; L73-M79 VanDerWaalsContact O-CG 3.26Å; L73-M79 WeakPolarHBondContact O-CG 3.26Å; L73-T188 HydrophobicContact CD2-CG2 4.29Å; L73-T188 VanDerWaalsContact CD2-OG1 3.31Å; L73-T188 WeakPolarHBondContact CD2-OG1 3.41Å; L73-F190 HydrophobicContact CD2-CZ 4.2Å; L73-L423 HydrophobicContact CD1-CD1 3.49Å; L73-L423 VanDerWaalsContact CD1-CD1 3.49Å
74I84.7Confident88.6Confident74 Ų7457.6 Ų57.638%0.37927%0.27SS..THydrogen-bonded Turntrans-60.4-28.8-172.9-159167.3000112.6F71 R84F71-I74 VanDerWaalsContact O-CB 3.3Å; F71-I74 WeakPolarHBondContact O-CB 3.49Å; F71-I74 WeakPolarHBondContact O-CG2 3.25Å; F71-I74 PolarHBondContact O-N 2.8Å; F71-I74 VanDerWaalsContact O-N 3.1Å; I74-R84 PolarHBondContact O-NH2 3.45Å
75M82.4Confident88.5Confident119 Ų11956.1 Ų56.159%0.58626%0.261SS*.THydrogen-bonded Turntrans-88.3-5.9178.8-62.2-55.2-65.100113.7L73 D77 L163L73-M75 PolarHBondContact O-N 2.74Å; L73-M75 VanDerWaalsContact O-N 3.09Å; M75-D77 PolarHBondContact O-N 3.41Å; M75-L163 HydrophobicContact CE-CD1 4.32Å; M75-L163 WeakPolarHBondContact O-CD1 3.35Å
76D88.3Confident88.6Confident4 Ų454.3 Ų54.32%0.02125%0.253CS..  trans-72.2124.1173.9-165.7-56.5000109.3L73 R78 M79 T188L73-D76 WeakPolarHBondContact O-CB 3.43Å; L73-D76 PolarHBondContact O-N 3.04Å; D76-R78 PolarHBondContact O-N 2.83Å; D76-R78 VanDerWaalsContact OD1-CB 3.26Å; D76-R78 WeakPolarHBondContact OD1-CB 3.29Å; D76-R78 WeakPolarHBondContact OD1-CG 3.28Å; D76-R78 IonicContact OD1-CZ 3.11Å; D76-R78 PolarHBondContact OD1-N 2.97Å; D76-R78 IonicContact OD1-NE 2.95Å; D76-R78 PolarHBondContact OD1-NE 2.83Å; D76-R78 IonicContact OD1-NH2 3.86Å; D76-R78 IonicContact OD2-CZ 3.31Å; D76-R78 IonicContact OD2-NE 2.79Å; D76-R78 PolarHBondContact OD2-NE 3.02Å; D76-R78 IonicContact OD2-NH2 2.68Å; D76-R78 PolarHBondContact OD2-NH2 3.46Å; D76-M79 HydrophobicContact CB-CG 4.07Å; D76-M79 WeakPolarHBondContact O-CB 3.49Å; D76-M79 PolarHBondContact O-N 3.32Å; D76-T188 HydrophobicContact CB-CG2 3.89Å; D76-T188 VanDerWaalsContact OD2-CA 3.32Å; D76-T188 WeakPolarHBondContact OD2-CA 3.4Å; D76-T188 WeakPolarHBondContact OD2-CB 3.46Å; D76-T188 WeakPolarHBondContact OD2-CG2 3.36Å; D76-T188 PolarHBondContact OD2-OG1 2.93Å
77D89.4Confident88.9Confident3 Ų351.4 Ų51.42%0.01624%0.238CC..THydrogen-bonded Turntrans-68.9-14.2-174.258.7-43.2000114.1M75 F85 P162 L163 Y183 R186M75-D77 PolarHBondContact O-N 3.41Å; D77-F85 HydrophobicContact CB-CE2 4.21Å; D77-F85 HydrophobicContact CB-CZ 4.1Å; D77-P162 HydrophobicContact CB-CB 3.74Å; D77-P162 HydrophobicContact CB-CG 3.42Å; D77-P162 VanDerWaalsContact CB-CG 3.42Å; D77-P162 VanDerWaalsContact OD2-CB 3.27Å; D77-P162 WeakPolarHBondContact OD2-CB 3.46Å; D77-P162 WeakPolarHBondContact OD2-CG 3.5Å; D77-L163 HydrophobicContact CB-CD2 3.88Å; D77-L163 HydrophobicContact CB-CG 4.26Å; D77-Y183 VanDerWaalsContact CG-OH 3.28Å; D77-Y183 VanDerWaalsContact OD2-CE2 3.29Å; D77-Y183 WeakPolarHBondContact OD2-CE2 3.2Å; D77-Y183 VanDerWaalsContact OD2-CZ 3.28Å; D77-Y183 PolarHBondContact OD2-OH 3.05Å; D77-R186 IonicContact OD1-CZ 2.72Å; D77-R186 IonicContact OD1-NH1 3.45Å; D77-R186 IonicContact OD1-NH2 3.17Å; D77-R186 PolarHBondContact OD1-NH2 2.81Å; D77-R186 IonicContact OD2-NH2 2.8Å; D77-R186 PolarHBondContact OD2-NH2 2.64Å
78R91.5Very high89.5Confident2 Ų252.2 Ų52.21%0.00824%0.241CC..THydrogen-bonded Turntrans-85.3-13.4178.1-58.5170.3-65.5173.1-5.1112.5D76 N80 W81 Y183 A184 R186 V432D76-R78 PolarHBondContact O-N 2.83Å; D76-R78 VanDerWaalsContact OD1-CB 3.26Å; D76-R78 WeakPolarHBondContact OD1-CB 3.29Å; D76-R78 WeakPolarHBondContact OD1-CG 3.28Å; D76-R78 IonicContact OD1-CZ 3.11Å; D76-R78 PolarHBondContact OD1-N 2.97Å; D76-R78 IonicContact OD1-NE 2.95Å; D76-R78 PolarHBondContact OD1-NE 2.83Å; D76-R78 IonicContact OD1-NH2 3.86Å; D76-R78 IonicContact OD2-CZ 3.31Å; D76-R78 IonicContact OD2-NE 2.79Å; D76-R78 PolarHBondContact OD2-NE 3.02Å; D76-R78 IonicContact OD2-NH2 2.68Å; D76-R78 PolarHBondContact OD2-NH2 3.46Å; R78-N80 PolarHBondContact O-N 2.97Å; R78-W81 PolarHBondContact O-N 3.09Å; R78-Y183 VanDerWaalsContact CD-O 3.24Å; R78-Y183 WeakPolarHBondContact CD-O 3.44Å; R78-Y183 HydrophobicContact CG-CE1 3.79Å; R78-Y183 HydrophobicContact CG-CE2 4.5Å; R78-Y183 PolarHBondContact NH1-O 2.92Å; R78-Y183 VanDerWaalsContact NH1-O 3.16Å; R78-A184 PolarHBondContact NH1-O 3.14Å; R78-R186 PolarHBondContact NH1-O 3.39Å; R78-R186 PolarHBondContact NH2-O 3.38Å; R78-V432 HydrophobicContact CB-CG1 3.71Å; R78-V432 HydrophobicContact CB-CG2 4.3Å; R78-V432 HydrophobicContact CG-CG1 3.6Å
79M90.7Very high89.8Confident5 Ų540.8 Ų40.83%0.02520%0.198CC..THydrogen-bonded Turntrans-65.7133.3178.1-67-58.29300111.3I69 L73 D76 W81 L202 L423I69-M79 HydrophobicContact CD1-CB 3.75Å; I69-M79 HydrophobicContact CD1-CG 4.32Å; I69-M79 HydrophobicContact CG1-CB 4.3Å; I69-M79 HydrophobicContact CG1-CG 4.39Å; I69-M79 HydrophobicContact CG1-SD 4.16Å; I69-M79 HydrophobicContact CG2-CG 3.96Å; I69-M79 HydrophobicContact CG2-SD 4.04Å; L73-M79 HydrophobicContact CB-CG 4.28Å; L73-M79 HydrophobicContact CB-SD 4.18Å; L73-M79 HydrophobicContact CD1-SD 4.41Å; L73-M79 VanDerWaalsContact O-CG 3.26Å; L73-M79 WeakPolarHBondContact O-CG 3.26Å; D76-M79 HydrophobicContact CB-CG 4.07Å; D76-M79 WeakPolarHBondContact O-CB 3.49Å; D76-M79 PolarHBondContact O-N 3.32Å; M79-W81 PolarHBondContact O-N 3.4Å; M79-L202 HydrophobicContact CE-CD1 4.31Å; M79-L202 HydrophobicContact CE-CD2 3.26Å; M79-L202 HydrophobicContact CE-CG 4.44Å; M79-L423 HydrophobicContact CE-CB 4.4Å; M79-L423 HydrophobicContact SD-CB 4.35Å; M79-L423 HydrophobicContact SD-CD1 3.83Å
80N90.9Very high90.2Very high37 Ų3739.7 Ų39.720%0.19819%0.194CC..THydrogen-bonded Turntrans52.243.7-174.9-66.6-18.7000111.8T64 Q65 D67 I69 R78 S83T64-N80 HydrophobicContact CG2-CB 3.63Å; T64-N80 WeakPolarHBondContact CG2-O 3.48Å; Q65-N80 PolarHBondContact O-OD1 2.97Å; D67-N80 PolarHBondContact N-OD1 3.31Å; I69-N80 VanDerWaalsContact CD1-ND2 3.33Å; I69-N80 WeakPolarHBondContact CD1-ND2 3.46Å; R78-N80 PolarHBondContact O-N 2.97Å; N80-S83 WeakPolarHBondContact CB-OG 3.49Å; N80-S83 VanDerWaalsContact O-CB 3.26Å; N80-S83 WeakPolarHBondContact O-CB 3.37Å; N80-S83 PolarHBondContact O-N 3.43Å; N80-S83 PolarHBondContact O-OG 3.16Å
81W92.8Very high90.5Very high9 Ų943.6 Ų43.63%0.03421%0.206CC..THydrogen-bonded Turntrans-48.4132.8-177178.9-101.7000112.6L22 R78 M79 F85 Y183 N430 M431 V432 F434 I435L22-W81 HydrophobicContact CD2-CH2 3.81Å; L22-W81 HydrophobicContact CD2-CZ2 4.35Å; R78-W81 PolarHBondContact O-N 3.09Å; M79-W81 PolarHBondContact O-N 3.4Å; W81-F85 HydrophobicContact CE3-CD2 4.44Å; W81-F85 HydrophobicContact CE3-CE2 4.29Å; W81-F85 HydrophobicContact CH2-CD2 4.43Å; W81-F85 HydrophobicContact CH2-CE2 4.36Å; W81-F85 AromaticContact CZ3-CD2 3.84Å; W81-F85 HydrophobicContact CZ3-CD2 3.84Å; W81-F85 AromaticContact CZ3-CE2 3.57Å; W81-F85 HydrophobicContact CZ3-CE2 3.57Å; W81-Y183 HydrophobicContact CE3-CE1 4.44Å; W81-Y183 HydrophobicContact CH2-CE1 4.04Å; W81-Y183 AromaticContact CZ3-CE1 3.74Å; W81-Y183 HydrophobicContact CZ3-CE1 3.74Å; W81-Y183 WeakPolarHBondContact CZ3-OH 3.2Å; W81-N430 WeakPolarHBondContact O-CB 3.48Å; W81-N430 PolarHBondContact O-ND2 3.4Å; W81-M431 PolarHBondContact NE1-O 3.24Å; W81-V432 HydrophobicContact CB-CG2 4.02Å; W81-V432 HydrophobicContact CG-CG2 4.4Å; W81-F434 PolarHBondContact NE1-O 2.92Å; W81-I435 HydrophobicContact CH2-CD1 4.22Å; W81-I435 HydrophobicContact CZ2-CD1 3.97Å; W81-I435 HydrophobicContact CZ2-CG1 3.81Å
82P92.3Very high90.9Very high0 Ų036.9 Ų36.90%018%0.18CC..THydrogen-bonded Turncis-104.829.71.142-37.5000113.1E62 R84 F85 F86 F89 T437E62-P82 HydrophobicContact CG-CG 4.5Å; P82-R84 PolarHBondContact O-N 2.63Å; P82-F85 PolarHBondContact O-N 2.85Å; P82-F86 PolarHBondContact O-N 2.91Å; P82-F89 HydrophobicContact CG-CE2 3.44Å; P82-F89 VanDerWaalsContact CG-CE2 3.44Å; P82-F89 HydrophobicContact CG-CZ 3.9Å; P82-T437 HydrophobicContact CB-CG2 4.47Å; P82-T437 HydrophobicContact CG-CG2 3.52Å
83S89.5Confident91.4Very high47 Ų4736.3 Ų36.333%0.32918%0.181SC..THydrogen-bonded Turntrans-58.8-18.8-164.368.10000115.3N80 F85 F86N80-S83 WeakPolarHBondContact CB-OG 3.49Å; N80-S83 VanDerWaalsContact O-CB 3.26Å; N80-S83 WeakPolarHBondContact O-CB 3.37Å; N80-S83 PolarHBondContact O-N 3.43Å; N80-S83 PolarHBondContact O-OG 3.16Å; S83-F85 VanDerWaalsContact C-N 3.34Å; S83-F86 WeakPolarHBondContact CA-O 3.38Å
84R87.1Confident91.7Very high86 Ų8642.3 Ų42.333%0.32521%0.213SC..THydrogen-bonded Turntrans-73.9-24.7177-66.7-62.1-173.9-164.81.3113.5I74 P82 L163I74-R84 PolarHBondContact O-NH2 3.45Å; P82-R84 PolarHBondContact O-N 2.63Å; R84-L163 HydrophobicContact CB-CD2 3.53Å; R84-L163 HydrophobicContact CG-CD2 3.87Å
85F89.5Confident92.3Very high2 Ų241.9 Ų41.91%0.00921%0.209CC..THydrogen-bonded Turntrans-101.9-51.6179.6-58.9-84.6000110.8I23 I31 T32 D77 W81 P82 S83 L152 P162I23-F85 HydrophobicContact CD1-CB 3.86Å; I23-F85 HydrophobicContact CD1-CD1 3.92Å; I23-F85 HydrophobicContact CD1-CG 3.94Å; I31-F85 HydrophobicContact CG2-CD1 4.07Å; T32-F85 PolarHBondContact N-O 3.25Å; T32-F85 VanDerWaalsContact N-O 3.07Å; T32-F85 PolarHBondContact OG1-O 2.84Å; D77-F85 HydrophobicContact CB-CE2 4.21Å; D77-F85 HydrophobicContact CB-CZ 4.1Å; W81-F85 HydrophobicContact CE3-CD2 4.44Å; W81-F85 HydrophobicContact CE3-CE2 4.29Å; W81-F85 HydrophobicContact CH2-CD2 4.43Å; W81-F85 HydrophobicContact CH2-CE2 4.36Å; W81-F85 AromaticContact CZ3-CD2 3.84Å; W81-F85 HydrophobicContact CZ3-CD2 3.84Å; W81-F85 AromaticContact CZ3-CE2 3.57Å; W81-F85 HydrophobicContact CZ3-CE2 3.57Å; P82-F85 PolarHBondContact O-N 2.85Å; S83-F85 VanDerWaalsContact C-N 3.34Å; F85-L152 HydrophobicContact CE1-CD1 4.35Å; F85-L152 HydrophobicContact CZ-CD1 4.08Å; F85-P162 HydrophobicContact CE1-CB 4.12Å; F85-P162 HydrophobicContact CZ-CB 3.85Å
86F92.3Very high93Very high0 Ų038 Ų380%019%0.188CC..  trans-138.1149.7-172-59.7-65.5000112.1I23 C27 N30 I31 G38 C40 P82 S83 F89 I435I23-F86 HydrophobicContact CB-CE2 4.33Å; I23-F86 HydrophobicContact CB-CZ 4.46Å; I23-F86 HydrophobicContact CD1-CD2 3.98Å; I23-F86 HydrophobicContact CD1-CE2 3.22Å; I23-F86 HydrophobicContact CD1-CZ 3.9Å; I23-F86 HydrophobicContact CG1-CE2 4.14Å; I23-F86 HydrophobicContact CG1-CZ 4.45Å; I23-F86 HydrophobicContact CG2-CE2 3.59Å; I23-F86 HydrophobicContact CG2-CZ 3.37Å; C27-F86 HydrophobicContact CB-CE1 4.17Å; C27-F86 HydrophobicContact CB-CE2 4.37Å; C27-F86 HydrophobicContact CB-CZ 3.65Å; C27-F86 WeakPolarHBondContact O-CE1 3.25Å; C27-F86 WeakPolarHBondContact O-CZ 3.47Å; N30-F86 HydrophobicContact CB-CE1 4.09Å; I31-F86 HydrophobicContact CG1-CE1 4Å; I31-F86 HydrophobicContact CG1-CE2 4.46Å; I31-F86 HydrophobicContact CG1-CZ 3.71Å; G38-F86 CarbonylContact O-C 3.51Å; G38-F86 VanDerWaalsContact O-CA 3.27Å; G38-F86 WeakPolarHBondContact O-CA 3.03Å; G38-F86 WeakPolarHBondContact O-CB 3.37Å; C40-F86 HydrophobicContact CB-CD1 3.73Å; C40-F86 HydrophobicContact CB-CD2 4.15Å; C40-F86 HydrophobicContact CB-CE1 3.78Å; C40-F86 HydrophobicContact CB-CE2 4.1Å; C40-F86 HydrophobicContact CB-CG 3.92Å; C40-F86 HydrophobicContact CB-CZ 3.95Å; P82-F86 PolarHBondContact O-N 2.91Å; S83-F86 WeakPolarHBondContact CA-O 3.38Å; F86-F89 HydrophobicContact CB-CE1 4.25Å; F86-F89 HydrophobicContact CB-CE2 3.7Å; F86-F89 HydrophobicContact CB-CZ 3.54Å; F86-F89 AromaticContact CD2-CE1 3.83Å; F86-F89 HydrophobicContact CD2-CE1 3.83Å; F86-F89 HydrophobicContact CD2-CE2 4.44Å; F86-F89 AromaticContact CD2-CZ 3.46Å; F86-F89 HydrophobicContact CD2-CZ 3.46Å; F86-F89 VanDerWaalsContact CD2-CZ 3.46Å; F86-F89 HydrophobicContact CE2-CE1 4.41Å; F86-F89 HydrophobicContact CE2-CZ 4.39Å; F86-F89 HydrophobicContact CG-CE1 4.21Å; F86-F89 HydrophobicContact CG-CE2 4.46Å; F86-F89 AromaticContact CG-CZ 3.82Å; F86-F89 HydrophobicContact CG-CZ 3.82Å; F86-I435 HydrophobicContact CD2-CD1 4.16Å; F86-I435 HydrophobicContact CE2-CD1 4.16Å
87N92.9Very high93.3Very high67 Ų6738.5 Ų38.536%0.35819%0.19SC..SBendtrans-118.4-10.3174.960.711.6000113G38 K61 E62G38-N87 VanDerWaalsContact C-OD1 3.31Å; G38-N87 PolarHBondContact O-N 3.35Å; G38-N87 PolarHBondContact O-OD1 2.97Å; K61-N87 WeakPolarHBondContact CA-O 3.38Å; E62-N87 PolarHBondContact N-O 3.27Å
88H96.1Very high93.5Very high55 Ų5538.6 Ų38.626%0.25519%0.192SC..EExtended strand (participates in β ladder)trans-133138.5174.7-64.373000111.6G38 I39 C40 Q60 K61G38-H88 PolarHBondContact O-N 3.1Å; I39-H88 HydrophobicContact CB-CB 4.32Å; I39-H88 HydrophobicContact CG1-CB 4.1Å; I39-H88 HydrophobicContact CG2-CB 4.08Å; C40-H88 PolarHBondContact N-O 3.03Å; Q60-H88 VanDerWaalsContact C-CD2 3.45Å; Q60-H88 CarbonylContact O-C 3.56Å; Q60-H88 WeakPolarHBondContact O-CA 3.2Å; Q60-H88 WeakPolarHBondContact O-CB 3.41Å; K61-H88 PolarHBondContact N-CD2 3.23Å; K61-H88 VanDerWaalsContact N-CD2 3.3Å
89F95.7Very high93.6Very high4 Ų439.4 Ų39.42%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-134.5169171.8-72.7-77.9000111.3C40 Q60 E62 P82 F86 K91 I99 I435 T437C40-F89 HydrophobicContact CB-CD1 3.69Å; C40-F89 HydrophobicContact CB-CE1 3.57Å; C40-F89 HydrophobicContact CB-CZ 4.49Å; C40-F89 WeakPolarHBondContact O-CA 3.48Å; Q60-F89 PolarHBondContact N-O 2.85Å; Q60-F89 PolarHBondContact O-N 3.46Å; Q60-F89 VanDerWaalsContact O-O 3.13Å; E62-F89 HydrophobicContact CB-CD2 3.9Å; E62-F89 HydrophobicContact CB-CE2 4.45Å; E62-F89 HydrophobicContact CG-CD2 3.83Å; E62-F89 HydrophobicContact CG-CE2 4.2Å; P82-F89 HydrophobicContact CG-CE2 3.44Å; P82-F89 VanDerWaalsContact CG-CE2 3.44Å; P82-F89 HydrophobicContact CG-CZ 3.9Å; F86-F89 HydrophobicContact CB-CE1 4.25Å; F86-F89 HydrophobicContact CB-CE2 3.7Å; F86-F89 HydrophobicContact CB-CZ 3.54Å; F86-F89 AromaticContact CD2-CE1 3.83Å; F86-F89 HydrophobicContact CD2-CE1 3.83Å; F86-F89 HydrophobicContact CD2-CE2 4.44Å; F86-F89 AromaticContact CD2-CZ 3.46Å; F86-F89 HydrophobicContact CD2-CZ 3.46Å; F86-F89 VanDerWaalsContact CD2-CZ 3.46Å; F86-F89 HydrophobicContact CE2-CE1 4.41Å; F86-F89 HydrophobicContact CE2-CZ 4.39Å; F86-F89 HydrophobicContact CG-CE1 4.21Å; F86-F89 HydrophobicContact CG-CE2 4.46Å; F86-F89 AromaticContact CG-CZ 3.82Å; F86-F89 HydrophobicContact CG-CZ 3.82Å; F89-K91 PolarHBondContact O-N 3.13Å; F89-I99 HydrophobicContact CD1-CD1 3.94Å; F89-I99 HydrophobicContact CE1-CD1 4.16Å; F89-I435 HydrophobicContact CD1-CG2 4.42Å; F89-I435 HydrophobicContact CE1-CG2 3.53Å; F89-I435 HydrophobicContact CZ-CD1 4.37Å; F89-I435 HydrophobicContact CZ-CG1 4.28Å; F89-I435 HydrophobicContact CZ-CG2 4.04Å; F89-T437 HydrophobicContact CD2-CG2 4.43Å; F89-T437 HydrophobicContact CE2-CG2 4.13Å
90C96.4Very high93.8Very high17 Ų1739.4 Ų39.412%0.11520%0.196CC..EExtended strand (participates in β ladder)trans-67.6118.1166-67.70000111.5C51 I99C51-C90 WeakPolarHBondContact CA-SG 3.44Å; C51-C90 HydrophobicContact CB-CB 3.54Å; C51-C90 WeakPolarHBondContact CB-SG 3.4Å; C51-C90 WeakPolarHBondContact SG-CA 3.48Å; C51-C90 WeakPolarHBondContact SG-CB 3.19Å; C51-C90 CovalentContact SG-SG 2.03Å; C51-C90 PolarHBondContact SG-SG 2.04Å; C90-I99 WeakPolarHBondContact CB-O 3.44Å; C90-I99 PolarHBondContact SG-O 2.8Å
91K96.2Very high94Very high126 Ų12637.6 Ų37.655%0.54819%0.187SC..EExtended strand (participates in β ladder)trans-90.4102.4164.9-172.9-179.7-174.8175.50108.6G57 T58 Q60 F89G57-K91 VanDerWaalsContact CA-O 3.25Å; G57-K91 WeakPolarHBondContact CA-O 3.2Å; T58-K91 PolarHBondContact N-O 2.91Å; T58-K91 PolarHBondContact O-N 3.18Å; Q60-K91 HydrophobicContact CB-CB 4.3Å; Q60-K91 VanDerWaalsContact CD-CD 3.49Å; Q60-K91 HydrophobicContact CG-CB 4.14Å; F89-K91 PolarHBondContact O-N 3.13Å
92C96.4Very high94Very high34 Ų3441.6 Ų41.623%0.2321%0.209CC..EExtended strand (participates in β ladder)trans-74.6142.4-179.6-50.70000111.6Y96 C101C92-Y96 WeakPolarHBondContact CB-O 3.3Å; C92-C101 WeakPolarHBondContact CA-SG 3.36Å; C92-C101 HydrophobicContact CB-CB 3.78Å; C92-C101 WeakPolarHBondContact CB-SG 3.24Å; C92-C101 WeakPolarHBondContact SG-CA 3.18Å; C92-C101 WeakPolarHBondContact SG-CB 3.19Å; C92-C101 CovalentContact SG-SG 2.04Å; C92-C101 PolarHBondContact SG-SG 3.24Å
93E96.3Very high94.1Very high64 Ų6444.2 Ų44.230%0.29922%0.221SC..  trans-94.1156179.4-67.5176.1-152.200110.8G55 Q56 H95 Y96G55-E93 WeakPolarHBondContact CA-OE2 3.03Å; G55-E93 PolarHBondContact N-OE1 3.2Å; G55-E93 PolarHBondContact N-OE2 3.43Å; Q56-E93 PolarHBondContact O-N 3.3Å; E93-H95 PolarHBondContact O-N 3.4Å; E93-H95 VanDerWaalsContact O-N 3.14Å; E93-Y96 WeakPolarHBondContact O-CB 3.42Å; E93-Y96 WeakPolarHBondContact O-CD2 3.27Å; E93-Y96 PolarHBondContact O-N 2.8Å
94N95.1Very high94.4Very high134 Ų13443.2 Ų43.272%0.71721%0.214SC*.THydrogen-bonded Turntrans54.3-115.7178.3-56.2-56.7000112.8
95H96.7Very high94.9Very high64 Ų6441.2 Ų41.230%0.29621%0.206SC..THydrogen-bonded Turntrans-114.615.5178.5-47.3118.3000112.4E93 C104 W105 W108 C113E93-H95 PolarHBondContact O-N 3.4Å; E93-H95 VanDerWaalsContact O-N 3.14Å; H95-C104 CarbonylContact O-C 3.55Å; H95-C104 WeakPolarHBondContact O-CA 2.95Å; H95-W105 HydrophobicContact CB-CB 4.45Å; H95-W105 PolarHBondContact O-N 3.04Å; H95-W108 HydrophobicContact CB-CB 4.05Å; H95-W108 HydrophobicContact CB-CD2 3.86Å; H95-W108 HydrophobicContact CB-CE3 4.45Å; H95-W108 HydrophobicContact CB-CG 3.65Å; H95-W108 AromaticContact CD2-CD1 3.97Å; H95-W108 AromaticContact CD2-CD2 3.92Å; H95-W108 AromaticContact CD2-CE2 3.32Å; H95-W108 AromaticContact CD2-CZ2 3.54Å; H95-W108 AromaticContact CD2-NE1 3.37Å; H95-W108 PolarHBondContact CD2-NE1 3.05Å; H95-W108 AromaticContact CE1-CD2 3.98Å; H95-W108 AromaticContact CE1-CE2 3.55Å; H95-W108 AromaticContact CE1-CE3 3.98Å; H95-W108 AromaticContact CE1-CH2 3.08Å; H95-W108 WeakPolarHBondContact CE1-CH2 3.41Å; H95-W108 AromaticContact CE1-CZ2 3.09Å; H95-W108 WeakPolarHBondContact CE1-CZ2 3.5Å; H95-W108 AromaticContact CE1-CZ3 3.57Å; H95-W108 AromaticContact CG-CD1 3.87Å; H95-W108 AromaticContact CG-CD2 3.47Å; H95-W108 VanDerWaalsContact CG-CD2 3.47Å; H95-W108 AromaticContact CG-CE2 3.39Å; H95-W108 AromaticContact CG-CE3 3.96Å; H95-W108 AromaticContact CG-CG 3.78Å; H95-W108 AromaticContact CG-CZ2 3.8Å; H95-W108 AromaticContact CG-NE1 3.64Å; H95-W108 AromaticContact ND1-CD2 3.5Å; H95-W108 AromaticContact ND1-CE2 3.52Å; H95-W108 AromaticContact ND1-CE3 3.5Å; H95-W108 AromaticContact ND1-CH2 3.52Å; H95-W108 AromaticContact ND1-CZ2 3.54Å; H95-W108 AromaticContact ND1-CZ3 3.51Å; H95-W108 AromaticContact NE2-CE2 3.42Å; H95-W108 AromaticContact NE2-CH2 3.58Å; H95-W108 AromaticContact NE2-CZ2 3.05Å; H95-W108 WeakPolarHBondContact NE2-CZ2 3.42Å; H95-W108 AromaticContact NE2-NE1 3.86Å; H95-C113 HydrophobicContact CB-CB 3.96Å; H95-C113 WeakPolarHBondContact CB-O 3.22Å; H95-C113 PolarHBondContact ND1-O 3.45Å; H95-C113 WeakPolarHBondContact O-CB 3.14Å
96Y97.1Very high95.2Very high37 Ų3741.9 Ų41.915%0.14521%0.209CC..EExtended strand (participates in β ladder)trans-69.9151.8168.3-68.2-74.8000110.1G55 Q56 C92 E93 C101 E103 F112 C113G55-Y96 WeakPolarHBondContact O-CE2 3.32Å; Q56-Y96 HydrophobicContact CB-CD2 4.33Å; Q56-Y96 HydrophobicContact CB-CE2 4.31Å; Q56-Y96 HydrophobicContact CG-CD1 3.87Å; Q56-Y96 HydrophobicContact CG-CD2 4.09Å; Q56-Y96 HydrophobicContact CG-CE1 4.07Å; Q56-Y96 HydrophobicContact CG-CE2 4.28Å; Q56-Y96 HydrophobicContact CG-CG 3.88Å; C92-Y96 WeakPolarHBondContact CB-O 3.3Å; E93-Y96 WeakPolarHBondContact O-CB 3.42Å; E93-Y96 WeakPolarHBondContact O-CD2 3.27Å; E93-Y96 PolarHBondContact O-N 2.8Å; Y96-C101 WeakPolarHBondContact CD1-O 3.47Å; Y96-E103 CarbonylContact C-O 3.51Å; Y96-F112 WeakPolarHBondContact OH-CA 3.3Å; Y96-C113 HydrophobicContact CD1-CB 4.38Å; Y96-C113 VanDerWaalsContact CD1-SG 3.58Å
97F95.4Very high95.4Very high15 Ų1542.1 Ų42.17%0.06621%0.211CC..EExtended strand (participates in β ladder)trans-157.1176.6-176.4-174.1-114.7000111.3C101 N102 E103 W105 Y106 P436 I438F97-C101 CarbonylContact O-C 3.6Å; F97-C101 WeakPolarHBondContact O-CA 3.25Å; F97-N102 PolarHBondContact O-N 3.21Å; F97-E103 PolarHBondContact N-O 2.97Å; F97-E103 CarbonylContact O-C 3.51Å; F97-E103 WeakPolarHBondContact O-CA 3.16Å; F97-E103 PolarHBondContact O-N 2.86Å; F97-E103 VanDerWaalsContact O-O 3.07Å; F97-W105 HydrophobicContact CB-CB 4.28Å; F97-W105 HydrophobicContact CB-CE3 4.21Å; F97-W105 HydrophobicContact CD1-CE3 4.46Å; F97-W105 AromaticContact CD2-CE3 3.37Å; F97-W105 HydrophobicContact CD2-CE3 3.37Å; F97-W105 AromaticContact CD2-CZ3 3.54Å; F97-W105 HydrophobicContact CD2-CZ3 3.54Å; F97-W105 AromaticContact CE2-CE3 3.85Å; F97-W105 HydrophobicContact CE2-CE3 3.85Å; F97-W105 AromaticContact CE2-CZ3 3.51Å; F97-W105 HydrophobicContact CE2-CZ3 3.51Å; F97-W105 AromaticContact CG-CE3 3.73Å; F97-W105 HydrophobicContact CG-CE3 3.73Å; F97-W105 HydrophobicContact CG-CZ3 4.26Å; F97-W105 HydrophobicContact CZ-CZ3 4.19Å; F97-Y106 AromaticContact CE1-CE2 3.98Å; F97-Y106 HydrophobicContact CE1-CE2 3.98Å; F97-P436 HydrophobicContact CE2-CG 3.94Å; F97-P436 HydrophobicContact CZ-CG 3.78Å; F97-I438 HydrophobicContact CE2-CD1 3.61Å; F97-I438 HydrophobicContact CZ-CD1 3.76Å
98G92.7Very high95.6Very high5 Ų541.2 Ų41.25%0.05220%0.203CC..SBendtrans91.4169.7-17900000111.7S100 C101G98-S100 PolarHBondContact O-N 2.87Å; G98-S100 VanDerWaalsContact O-N 3.17Å; G98-C101 PolarHBondContact O-N 3.27Å; G98-C101 VanDerWaalsContact O-N 3.1Å
99I93Very high95.6Very high20 Ų2042.1 Ų42.110%0.10321%0.207CC..THydrogen-bonded Turntrans-62.8-27.5-170.9-16463.6000113.9P24 C40 P42 F89 C90 I435 P436P24-I99 HydrophobicContact CB-CB 4.49Å; P24-I99 HydrophobicContact CB-CG1 3.99Å; P24-I99 HydrophobicContact CB-CG2 4.42Å; P24-I99 HydrophobicContact CG-CB 4.24Å; P24-I99 HydrophobicContact CG-CD1 3.78Å; P24-I99 HydrophobicContact CG-CG1 3.67Å; C40-I99 WeakPolarHBondContact SG-CD1 3.48Å; P42-I99 WeakPolarHBondContact CD-O 3.47Å; P42-I99 HydrophobicContact CG-CB 4.42Å; P42-I99 HydrophobicContact CG-CG1 3.94Å; P42-I99 HydrophobicContact CG-CG2 4Å; F89-I99 HydrophobicContact CD1-CD1 3.94Å; F89-I99 HydrophobicContact CE1-CD1 4.16Å; C90-I99 WeakPolarHBondContact CB-O 3.44Å; C90-I99 PolarHBondContact SG-O 2.8Å; I99-I435 HydrophobicContact CD1-CG2 3.71Å; I99-P436 HydrophobicContact CD1-CB 4.24Å
100S95.1Very high95.5Very high4 Ų443.8 Ų43.83%0.02823%0.225CC..THydrogen-bonded Turntrans-114.414.3176.957.90000113P44 C51 G98 N102P44-S100 WeakPolarHBondContact CG-O 3.48Å; C51-S100 CarbonylContact C-O 3.56Å; G98-S100 PolarHBondContact O-N 2.87Å; G98-S100 VanDerWaalsContact O-N 3.17Å; S100-N102 PolarHBondContact O-N 3.16Å; S100-N102 PolarHBondContact OG-OD1 2.02Å
101C95.9Very high95.3Very high0 Ų051.6 Ų51.60%026%0.257CS..SBendtrans59.123.5-173.1-55.30000115.2C51 Q56 C92 Y96 F97 G98C51-C101 WeakPolarHBondContact O-CB 3.48Å; Q56-C101 HydrophobicContact CG-CB 3.98Å; Q56-C101 WeakPolarHBondContact CG-O 3.42Å; Q56-C101 PolarHBondContact NE2-O 3.25Å; C92-C101 WeakPolarHBondContact CA-SG 3.36Å; C92-C101 HydrophobicContact CB-CB 3.78Å; C92-C101 WeakPolarHBondContact CB-SG 3.24Å; C92-C101 WeakPolarHBondContact SG-CA 3.18Å; C92-C101 WeakPolarHBondContact SG-CB 3.19Å; C92-C101 CovalentContact SG-SG 2.04Å; C92-C101 PolarHBondContact SG-SG 3.24Å; Y96-C101 WeakPolarHBondContact CD1-O 3.47Å; F97-C101 CarbonylContact O-C 3.6Å; F97-C101 WeakPolarHBondContact O-CA 3.25Å; G98-C101 PolarHBondContact O-N 3.27Å; G98-C101 VanDerWaalsContact O-N 3.1Å
102N93.2Very high95.3Very high92 Ų9251.4 Ų51.449%0.49226%0.257SS..  trans-94.2-4.7-178.468.7-35000114.9P44 F97 S100P44-N102 HydrophobicContact CB-CB 3.84Å; F97-N102 PolarHBondContact O-N 3.21Å; S100-N102 PolarHBondContact O-N 3.16Å; S100-N102 PolarHBondContact OG-OD1 2.02Å
103E93.9Very high95.3Very high56 Ų5649.9 Ų49.926%0.26225%0.246SC..EExtended strand (participates in β ladder)trans-104172.4172.8-58.2-167.8157.200109.7Y96 F97 R224 K228Y96-E103 CarbonylContact C-O 3.51Å; F97-E103 PolarHBondContact N-O 2.97Å; F97-E103 CarbonylContact O-C 3.51Å; F97-E103 WeakPolarHBondContact O-CA 3.16Å; F97-E103 PolarHBondContact O-N 2.86Å; F97-E103 VanDerWaalsContact O-O 3.07Å; E103-R224 IonicContact OE2-CZ 3.55Å; E103-R224 IonicContact OE2-NE 2.76Å; E103-R224 IonicContact OE2-NH1 2.71Å; E103-R224 PolarHBondContact OE2-NH1 3.25Å; E103-K228 IonicContact OE1-NZ 2.78Å; E103-K228 PolarHBondContact OE1-NZ 3Å; E103-K228 VanDerWaalsContact OE1-NZ 3.09Å
104C96.1Very high95.3Very high25 Ų2551.6 Ų51.617%0.16926%0.258CS..EExtended strand (participates in β ladder)trans-102.3148.6171.9-59.10000110.9H95 W108 G110 C113 R224H95-C104 CarbonylContact O-C 3.55Å; H95-C104 WeakPolarHBondContact O-CA 2.95Å; C104-W108 HydrophobicContact CB-CB 4.09Å; C104-W108 WeakPolarHBondContact CB-O 3.39Å; C104-G110 PolarHBondContact SG-O 3.07Å; C104-C113 WeakPolarHBondContact CA-SG 3.37Å; C104-C113 HydrophobicContact CB-CB 3.7Å; C104-C113 WeakPolarHBondContact CB-SG 3.45Å; C104-C113 WeakPolarHBondContact SG-CA 3.23Å; C104-C113 WeakPolarHBondContact SG-CB 3.5Å; C104-C113 CovalentContact SG-SG 2.04Å; C104-C113 PolarHBondContact SG-SG 3.4Å; C104-R224 PolarHBondContact O-NH2 3.09Å
105W96.5Very high95.4Very high45 Ų4551.3 Ų51.317%0.1725%0.25CS..PPolyproline II helixtrans-58150.4171.2-174-99.6000110.1H95 F97 G107 W108 I438 M443H95-W105 HydrophobicContact CB-CB 4.45Å; H95-W105 PolarHBondContact O-N 3.04Å; F97-W105 HydrophobicContact CB-CB 4.28Å; F97-W105 HydrophobicContact CB-CE3 4.21Å; F97-W105 HydrophobicContact CD1-CE3 4.46Å; F97-W105 AromaticContact CD2-CE3 3.37Å; F97-W105 HydrophobicContact CD2-CE3 3.37Å; F97-W105 AromaticContact CD2-CZ3 3.54Å; F97-W105 HydrophobicContact CD2-CZ3 3.54Å; F97-W105 AromaticContact CE2-CE3 3.85Å; F97-W105 HydrophobicContact CE2-CE3 3.85Å; F97-W105 AromaticContact CE2-CZ3 3.51Å; F97-W105 HydrophobicContact CE2-CZ3 3.51Å; F97-W105 AromaticContact CG-CE3 3.73Å; F97-W105 HydrophobicContact CG-CE3 3.73Å; F97-W105 HydrophobicContact CG-CZ3 4.26Å; F97-W105 HydrophobicContact CZ-CZ3 4.19Å; W105-G107 PolarHBondContact O-N 3.15Å; W105-W108 WeakPolarHBondContact O-CB 3.46Å; W105-W108 PolarHBondContact O-N 2.85Å; W105-I438 HydrophobicContact CH2-CD1 3.88Å; W105-I438 HydrophobicContact CZ3-CD1 3.8Å; W105-M443 HydrophobicContact CH2-CE 4.12Å; W105-M443 HydrophobicContact CZ2-CE 3.97Å
106Y96Very high95.4Very high15 Ų1555 Ų556%0.05926%0.261CS..THydrogen-bonded Turntrans-56.3126179.6-61.2-89.9000110.5F97 Y217 L220 F221 R224 I450F97-Y106 AromaticContact CE1-CE2 3.98Å; F97-Y106 HydrophobicContact CE1-CE2 3.98Å; Y106-Y217 HydrophobicContact CE2-CD2 4.45Å; Y106-Y217 AromaticContact CE2-CE2 3.69Å; Y106-Y217 HydrophobicContact CE2-CE2 3.69Å; Y106-L220 HydrophobicContact CD1-CB 4.17Å; Y106-L220 HydrophobicContact CD1-CD1 4.26Å; Y106-L220 HydrophobicContact CD1-CD2 3.88Å; Y106-L220 HydrophobicContact CD1-CG 4.36Å; Y106-L220 HydrophobicContact CD2-CD1 4.48Å; Y106-L220 HydrophobicContact CE1-CB 3.73Å; Y106-L220 HydrophobicContact CE1-CD2 4.21Å; Y106-L220 HydrophobicContact CE1-CG 4.41Å; Y106-L220 WeakPolarHBondContact CE1-O 3.11Å; Y106-L220 HydrophobicContact CG-CD1 4.21Å; Y106-F221 WeakPolarHBondContact OH-CA 3.44Å; Y106-R224 VanDerWaalsContact CZ-CZ 3.41Å; Y106-I450 CarbonylContact C-O 3.22Å; Y106-I450 VanDerWaalsContact CB-O 3.25Å; Y106-I450 WeakPolarHBondContact CB-O 3.35Å; Y106-I450 CarbonylContact O-C 3.59Å
107G96.8Very high95.3Very high5 Ų556.2 Ų56.25%0.05227%0.267CS..THydrogen-bonded Turntrans97.41.8-173.700000115.8W105 R116 K117W105-G107 PolarHBondContact O-N 3.15Å; G107-R116 WeakPolarHBondContact O-CA 3.21Å; G107-K117 CarbonylContact C-O 3.14Å; G107-K117 VanDerWaalsContact CA-O 3.28Å; G107-K117 WeakPolarHBondContact CA-O 3.46Å; G107-K117 PolarHBondContact O-N 3.05Å
108W97.7Very high95.4Very high48 Ų4859.7 Ų59.718%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-128.8147.4178.5-61.589.4000111.7H95 C104 W105 C113 K115 R116H95-W108 HydrophobicContact CB-CB 4.05Å; H95-W108 HydrophobicContact CB-CD2 3.86Å; H95-W108 HydrophobicContact CB-CE3 4.45Å; H95-W108 HydrophobicContact CB-CG 3.65Å; H95-W108 AromaticContact CD2-CD1 3.97Å; H95-W108 AromaticContact CD2-CD2 3.92Å; H95-W108 AromaticContact CD2-CE2 3.32Å; H95-W108 AromaticContact CD2-CZ2 3.54Å; H95-W108 AromaticContact CD2-NE1 3.37Å; H95-W108 PolarHBondContact CD2-NE1 3.05Å; H95-W108 AromaticContact CE1-CD2 3.98Å; H95-W108 AromaticContact CE1-CE2 3.55Å; H95-W108 AromaticContact CE1-CE3 3.98Å; H95-W108 AromaticContact CE1-CH2 3.08Å; H95-W108 WeakPolarHBondContact CE1-CH2 3.41Å; H95-W108 AromaticContact CE1-CZ2 3.09Å; H95-W108 WeakPolarHBondContact CE1-CZ2 3.5Å; H95-W108 AromaticContact CE1-CZ3 3.57Å; H95-W108 AromaticContact CG-CD1 3.87Å; H95-W108 AromaticContact CG-CD2 3.47Å; H95-W108 VanDerWaalsContact CG-CD2 3.47Å; H95-W108 AromaticContact CG-CE2 3.39Å; H95-W108 AromaticContact CG-CE3 3.96Å; H95-W108 AromaticContact CG-CG 3.78Å; H95-W108 AromaticContact CG-CZ2 3.8Å; H95-W108 AromaticContact CG-NE1 3.64Å; H95-W108 AromaticContact ND1-CD2 3.5Å; H95-W108 AromaticContact ND1-CE2 3.52Å; H95-W108 AromaticContact ND1-CE3 3.5Å; H95-W108 AromaticContact ND1-CH2 3.52Å; H95-W108 AromaticContact ND1-CZ2 3.54Å; H95-W108 AromaticContact ND1-CZ3 3.51Å; H95-W108 AromaticContact NE2-CE2 3.42Å; H95-W108 AromaticContact NE2-CH2 3.58Å; H95-W108 AromaticContact NE2-CZ2 3.05Å; H95-W108 WeakPolarHBondContact NE2-CZ2 3.42Å; H95-W108 AromaticContact NE2-NE1 3.86Å; C104-W108 HydrophobicContact CB-CB 4.09Å; C104-W108 WeakPolarHBondContact CB-O 3.39Å; W105-W108 WeakPolarHBondContact O-CB 3.46Å; W105-W108 PolarHBondContact O-N 2.85Å; W108-C113 VanDerWaalsContact CE3-O 3.26Å; W108-K115 CarbonylContact C-O 3.49Å; W108-K115 VanDerWaalsContact CA-O 3.29Å; W108-K115 WeakPolarHBondContact CA-O 3.43Å; W108-R116 VanDerWaalsContact CE2-CD 3.42Å; W108-R116 HydrophobicContact CE3-CG 4.35Å; W108-R116 HydrophobicContact CH2-CG 4.05Å; W108-R116 HydrophobicContact CZ2-CG 4.43Å; W108-R116 VanDerWaalsContact CZ3-CD 3.49Å; W108-R116 HydrophobicContact CZ3-CG 3.99Å
109E95.3Very high95.7Very high74 Ų7461 Ų6135%0.34629%0.287SS..EExtended strand (participates in β ladder)trans-145.8176.6177.272-179.1-172.200112.4N114 K115 K117E109-N114 PolarHBondContact O-N 2.81Å; E109-K115 HydrophobicContact CG-CB 3.99Å; E109-K115 PolarHBondContact N-O 2.79Å; E109-K115 PolarHBondContact O-N 3.26Å; E109-K117 HydrophobicContact CB-CB 4.35Å; E109-K117 HydrophobicContact CG-CB 3.96Å; E109-K117 WeakPolarHBondContact OE2-CG 3.47Å
110G94.2Very high95.9Very high39 Ų3963 Ų6340%0.40230%0.298SS..SBendtrans92.4165.3-17900000113.1C104 F112 C113C104-G110 PolarHBondContact SG-O 3.07Å; G110-F112 PolarHBondContact O-N 3.27Å; G110-C113 PolarHBondContact O-N 3.28Å
111K92.5Very high96.1Very high181 Ų18162.8 Ų62.879%0.78730%0.296SS*.THydrogen-bonded Turntrans-54.6-28.9-176.5-175.6177.3177.6-179.10113.8
112F94.6Very high96.2Very high122 Ų12266.6 Ų66.654%0.53531%0.311SS..THydrogen-bonded Turntrans-115.713.9-177.7-53.2-70.6000113.4Y96 G110 N114Y96-F112 WeakPolarHBondContact OH-CA 3.3Å; G110-F112 PolarHBondContact O-N 3.27Å; F112-N114 PolarHBondContact O-N 3.24Å
113C96.6Very high96.5Very high2 Ų263.5 Ų63.51%0.01430%0.295CS..SBendtrans49.837.3-179.6-54.40000114.2H95 Y96 C104 W108 G110H95-C113 HydrophobicContact CB-CB 3.96Å; H95-C113 WeakPolarHBondContact CB-O 3.22Å; H95-C113 PolarHBondContact ND1-O 3.45Å; H95-C113 WeakPolarHBondContact O-CB 3.14Å; Y96-C113 HydrophobicContact CD1-CB 4.38Å; Y96-C113 VanDerWaalsContact CD1-SG 3.58Å; C104-C113 WeakPolarHBondContact CA-SG 3.37Å; C104-C113 HydrophobicContact CB-CB 3.7Å; C104-C113 WeakPolarHBondContact CB-SG 3.45Å; C104-C113 WeakPolarHBondContact SG-CA 3.23Å; C104-C113 WeakPolarHBondContact SG-CB 3.5Å; C104-C113 CovalentContact SG-SG 2.04Å; C104-C113 PolarHBondContact SG-SG 3.4Å; W108-C113 VanDerWaalsContact CE3-O 3.26Å; G110-C113 PolarHBondContact O-N 3.28Å
114N96.5Very high96.7Very high100 Ų10060.9 Ų60.954%0.53528%0.282SS..  trans-111.32.8-173.764.2-13.4000113.4E109 F112E109-N114 PolarHBondContact O-N 2.81Å; F112-N114 PolarHBondContact O-N 3.24Å
115K97.5Very high96.7Very high129 Ų12962.5 Ų62.556%0.56129%0.289SS*.EExtended strand (participates in β ladder)trans-107.5124.7176.3-61.1-176-179.9-175.50109.9W108 E109W108-K115 CarbonylContact C-O 3.49Å; W108-K115 VanDerWaalsContact CA-O 3.29Å; W108-K115 WeakPolarHBondContact CA-O 3.43Å; E109-K115 HydrophobicContact CG-CB 3.99Å; E109-K115 PolarHBondContact N-O 2.79Å; E109-K115 PolarHBondContact O-N 3.26Å
116R96.9Very high96.7Very high141 Ų14163.8 Ų63.853%0.53231%0.305SS..EExtended strand (participates in β ladder)trans-68.6136.4172.4-67-61.8-70.9-1180110.1G107 W108 K448G107-R116 WeakPolarHBondContact O-CA 3.21Å; W108-R116 VanDerWaalsContact CE2-CD 3.42Å; W108-R116 HydrophobicContact CE3-CG 4.35Å; W108-R116 HydrophobicContact CH2-CG 4.05Å; W108-R116 HydrophobicContact CZ2-CG 4.43Å; W108-R116 VanDerWaalsContact CZ3-CD 3.49Å; W108-R116 HydrophobicContact CZ3-CG 3.99Å; R116-K448 PolarHBondContact NH2-O 2.95Å
117K95.7Very high96.8Very high62 Ų6263.7 Ų63.727%0.2731%0.305SS..  trans-133.8110.9173.9-17663.8171.5-173.10109.9G107 E109 Y119G107-K117 CarbonylContact C-O 3.14Å; G107-K117 VanDerWaalsContact CA-O 3.28Å; G107-K117 WeakPolarHBondContact CA-O 3.46Å; G107-K117 PolarHBondContact O-N 3.05Å; E109-K117 HydrophobicContact CB-CB 4.35Å; E109-K117 HydrophobicContact CG-CB 3.96Å; E109-K117 WeakPolarHBondContact OE2-CG 3.47Å; K117-Y119 HydrophobicContact CB-CE2 4.4Å; K117-Y119 HydrophobicContact CG-CD2 4.19Å; K117-Y119 HydrophobicContact CG-CE1 4.23Å; K117-Y119 HydrophobicContact CG-CE2 3.55Å
118E96.8Very high96.9Very high88 Ų8866.4 Ų66.441%0.41132%0.323SS..  trans-97.1133.2171-169.8174.796.100109.5K448 G451 T453E118-K448 WeakPolarHBondContact OE2-CG 3.18Å; E118-G451 CarbonylContact C-O 3.57Å; E118-G451 WeakPolarHBondContact CA-O 3.33Å; E118-T453 HydrophobicContact CG-CG2 4.39Å; E118-T453 WeakPolarHBondContact OE1-CG2 3.36Å
119Y98.2Very high96.9Very high32 Ų3269.3 Ų69.313%0.12535%0.348CS..EExtended strand (participates in β ladder)trans-106.8151.2172.8-62.8-88000110.8K117 R227 D238 T240 G451 Y452 T453K117-Y119 HydrophobicContact CB-CE2 4.4Å; K117-Y119 HydrophobicContact CG-CD2 4.19Å; K117-Y119 HydrophobicContact CG-CE1 4.23Å; K117-Y119 HydrophobicContact CG-CE2 3.55Å; Y119-R227 VanDerWaalsContact CE2-NH1 3.27Å; Y119-R227 VanDerWaalsContact CZ-CZ 3.5Å; Y119-R227 VanDerWaalsContact CZ-NH1 3.29Å; Y119-R227 PolarHBondContact OH-NH1 2.84Å; Y119-D238 HydrophobicContact CD1-CB 4.45Å; Y119-T240 VanDerWaalsContact CB-CG2 3.49Å; Y119-T240 HydrophobicContact CD1-CG2 4.29Å; Y119-T240 HydrophobicContact CG-CG2 4.21Å; Y119-G451 WeakPolarHBondContact CD2-O 3.19Å; Y119-G451 PolarHBondContact N-O 2.97Å; Y119-Y452 CarbonylContact O-C 3.56Å; Y119-Y452 WeakPolarHBondContact O-CA 3.43Å; Y119-Y452 WeakPolarHBondContact O-CB 3.14Å; Y119-T453 PolarHBondContact O-N 2.63Å
120I98.6Very high97Very high62 Ų6273.6 Ų73.632%0.31837%0.366SS..EExtended strand (participates in β ladder)trans-116.5120.6-179.4-56.4175.2000109Y122 T240 T453 D455I120-Y122 HydrophobicContact CB-CD2 4.42Å; I120-Y122 HydrophobicContact CB-CE2 3.66Å; I120-Y122 HydrophobicContact CG2-CD2 4.12Å; I120-Y122 HydrophobicContact CG2-CE1 4.09Å; I120-Y122 HydrophobicContact CG2-CE2 3.59Å; I120-Y122 WeakPolarHBondContact O-CD2 3.42Å; I120-Y122 VanDerWaalsContact O-CE2 3.23Å; I120-Y122 WeakPolarHBondContact O-CE2 3.4Å; I120-T240 PolarHBondContact O-OG1 3.32Å; I120-T453 HydrophobicContact CG1-CG2 4.08Å; I120-D455 HydrophobicContact CG2-CB 3.84Å
121R98.7Very high97.2Very high0 Ų074.5 Ų74.50%036%0.359CS..EExtended strand (participates in β ladder)trans-85.4125.6171.6-69.2-178.7170.2170.40.6109.7E223 T240 I241 T396 D399 Y452 T453 Y454 D455R121-E223 IonicContact CZ-OE2 3.88Å; R121-E223 IonicContact NE-OE2 2.85Å; R121-E223 PolarHBondContact NE-OE2 2.91Å; R121-E223 IonicContact NH2-OE1 3.48Å; R121-E223 IonicContact NH2-OE2 3.34Å; R121-E223 PolarHBondContact NH2-OE2 3.28Å; R121-E223 VanDerWaalsContact NH2-OE2 3.14Å; R121-T240 HydrophobicContact CG-CG2 4.26Å; R121-I241 WeakPolarHBondContact CG-O 3.19Å; R121-T396 HydrophobicContact CB-CG2 4.49Å; R121-T396 HydrophobicContact CG-CG2 4.47Å; R121-D399 IonicContact NH1-OD2 3.88Å; R121-D399 PolarHBondContact NH1-OD2 3.22Å; R121-Y452 HydrophobicContact CG-CD2 4.42Å; R121-Y452 VanDerWaalsContact NH1-CE2 3.33Å; R121-T453 PolarHBondContact N-O 3.3Å; R121-Y454 HydrophobicContact CB-CD1 3.72Å; R121-Y454 HydrophobicContact CB-CE1 3.79Å; R121-Y454 HydrophobicContact CG-CE1 4.5Å; R121-Y454 WeakPolarHBondContact O-CA 3.31Å; R121-D455 PolarHBondContact O-N 2.98Å
122Y98.6Very high97.5Very high81 Ų8168.9 Ų68.932%0.31833%0.333SS..  trans-108.8160.8-176.9-68.2-92.8000111.7I120 I124 F127 P242 Y243 D455I120-Y122 HydrophobicContact CB-CD2 4.42Å; I120-Y122 HydrophobicContact CB-CE2 3.66Å; I120-Y122 HydrophobicContact CG2-CD2 4.12Å; I120-Y122 HydrophobicContact CG2-CE1 4.09Å; I120-Y122 HydrophobicContact CG2-CE2 3.59Å; I120-Y122 WeakPolarHBondContact O-CD2 3.42Å; I120-Y122 VanDerWaalsContact O-CE2 3.23Å; I120-Y122 WeakPolarHBondContact O-CE2 3.4Å; Y122-I124 PolarHBondContact O-N 3.39Å; Y122-F127 HydrophobicContact CD2-CE1 4.34Å; Y122-F127 HydrophobicContact CG-CE1 4.14Å; Y122-P242 CarbonylContact O-C 3.58Å; Y122-P242 WeakPolarHBondContact O-CA 3.43Å; Y122-P242 WeakPolarHBondContact O-CB 3.4Å; Y122-Y243 VanDerWaalsContact C-CD1 3.41Å; Y122-Y243 WeakPolarHBondContact O-CD1 3.26Å; Y122-Y243 PolarHBondContact O-N 3.31Å; Y122-D455 HydrophobicContact CD1-CB 3.37Å; Y122-D455 HydrophobicContact CE1-CB 3.56Å; Y122-D455 HydrophobicContact CG-CB 4.09Å
123N98.2Very high97.7Very high27 Ų2769.9 Ų69.914%0.14434%0.336CS..BIsolated β-bridgetrans-63.2127.3167.1-168.5-33.4000109.5L125 S126 Y243N123-L125 PolarHBondContact O-N 3.21Å; N123-L125 VanDerWaalsContact O-N 3.13Å; N123-L125 WeakPolarHBondContact OD1-CB 3.09Å; N123-L125 PolarHBondContact OD1-N 3.39Å; N123-S126 WeakPolarHBondContact O-CB 3.32Å; N123-S126 PolarHBondContact O-N 3.19Å; N123-S126 PolarHBondContact O-OG 2.78Å; N123-Y243 CarbonylContact C-O 3.58Å; N123-Y243 WeakPolarHBondContact CA-O 2.78Å; N123-Y243 HydrophobicContact CB-CD2 4.23Å; N123-Y243 HydrophobicContact CB-CE1 4.24Å; N123-Y243 HydrophobicContact CB-CE2 3.55Å
124I98.3Very high97.8Very high0 Ų071.5 Ų71.50%035%0.345CS..G310 helixtrans-58.9-28.3178.2-164.1167.5000112.3Y122 S126 F127 R132 F135 P242 Y243 W244 V254 L259 V393Y122-I124 PolarHBondContact O-N 3.39Å; I124-S126 VanDerWaalsContact C-N 3.29Å; I124-S126 PolarHBondContact O-N 3.5Å; I124-F127 WeakPolarHBondContact O-CB 3.34Å; I124-F127 PolarHBondContact O-N 3.18Å; I124-R132 PolarHBondContact O-NE 3.15Å; I124-F135 HydrophobicContact CD1-CD1 3.71Å; I124-F135 HydrophobicContact CD1-CE1 3.53Å; I124-F135 HydrophobicContact CD1-CZ 4.29Å; I124-P242 HydrophobicContact CB-CB 3.83Å; I124-P242 HydrophobicContact CB-CG 3.85Å; I124-P242 HydrophobicContact CD1-CG 3.82Å; I124-P242 HydrophobicContact CG1-CB 4.28Å; I124-P242 HydrophobicContact CG1-CG 3.83Å; I124-Y243 PolarHBondContact N-O 2.98Å; I124-W244 HydrophobicContact CG2-CB 4.38Å; I124-V254 HydrophobicContact CG2-CG1 3.63Å; I124-L259 HydrophobicContact CD1-CD1 3.74Å; I124-L259 HydrophobicContact CD1-CD2 3.86Å; I124-L259 HydrophobicContact CD1-CG 4Å; I124-L259 HydrophobicContact CG1-CD1 4Å; I124-L259 HydrophobicContact CG1-CD2 4.02Å; I124-L259 HydrophobicContact CG1-CG 4.49Å; I124-L259 HydrophobicContact CG2-CD2 4.29Å; I124-V393 HydrophobicContact CD1-CG1 3.73Å
125L96.7Very high97.9Very high60 Ų6066.8 Ų66.831%0.31432%0.319SS..G310 helixtrans-76.1-14.5176.4-59.6179.8000113N123 F127 R132 D253 V254N123-L125 PolarHBondContact O-N 3.21Å; N123-L125 VanDerWaalsContact O-N 3.13Å; N123-L125 WeakPolarHBondContact OD1-CB 3.09Å; N123-L125 PolarHBondContact OD1-N 3.39Å; L125-F127 VanDerWaalsContact C-N 3.35Å; L125-R132 PolarHBondContact O-NH2 2.96Å; L125-D253 HydrophobicContact CD1-CB 4.2Å; L125-V254 HydrophobicContact CD2-CG1 4Å; L125-V254 HydrophobicContact CG-CG1 4.39Å
126S97.3Very high97.9Very high72 Ų7261 Ų6150%0.50330%0.295SS..G310 helixtrans-80.4-16.6171.673.70000113.3N123 I124N123-S126 WeakPolarHBondContact O-CB 3.32Å; N123-S126 PolarHBondContact O-N 3.19Å; N123-S126 PolarHBondContact O-OG 2.78Å; I124-S126 VanDerWaalsContact C-N 3.29Å; I124-S126 PolarHBondContact O-N 3.5Å
127F97.8Very high98Very high12 Ų1256.7 Ų56.75%0.05328%0.282CS..SBendtrans-67.6141.2179.4-73.1-3.4000112.1Y122 I124 L125 K131 R132 W236 P242Y122-F127 HydrophobicContact CD2-CE1 4.34Å; Y122-F127 HydrophobicContact CG-CE1 4.14Å; I124-F127 WeakPolarHBondContact O-CB 3.34Å; I124-F127 PolarHBondContact O-N 3.18Å; L125-F127 VanDerWaalsContact C-N 3.35Å; F127-K131 HydrophobicContact CB-CB 4.09Å; F127-K131 HydrophobicContact CB-CD 4.42Å; F127-K131 HydrophobicContact CB-CG 4.23Å; F127-K131 HydrophobicContact CD1-CD 3.77Å; F127-K131 HydrophobicContact CD1-CG 4.31Å; F127-K131 HydrophobicContact CD2-CB 4.49Å; F127-K131 HydrophobicContact CD2-CD 4.18Å; F127-K131 HydrophobicContact CD2-CG 3.83Å; F127-K131 HydrophobicContact CE1-CD 3.96Å; F127-K131 HydrophobicContact CE2-CD 4.38Å; F127-K131 HydrophobicContact CE2-CG 4.22Å; F127-K131 HydrophobicContact CG-CB 4.3Å; F127-K131 HydrophobicContact CG-CD 3.87Å; F127-K131 HydrophobicContact CG-CG 3.88Å; F127-K131 HydrophobicContact CZ-CD 4.28Å; F127-R132 HydrophobicContact CB-CG 3.71Å; F127-R132 PolarHBondContact O-NE 3.49Å; F127-R132 VanDerWaalsContact O-NE 3.09Å; F127-W236 HydrophobicContact CE2-CH2 4.1Å; F127-W236 HydrophobicContact CE2-CZ2 4.48Å; F127-W236 HydrophobicContact CZ-CZ2 4.47Å; F127-P242 HydrophobicContact CE2-CB 3.98Å; F127-P242 HydrophobicContact CE2-CG 4.12Å; F127-P242 HydrophobicContact CZ-CB 4.06Å
128S98Very high98.1Very high63 Ų6353.7 Ų53.744%0.44127%0.269SS..  trans-60.5156.2168.771.80000111K130 K131 R132S128-K130 PolarHBondContact O-N 3.41Å; S128-K130 VanDerWaalsContact O-N 3.15Å; S128-K131 PolarHBondContact O-N 3.43Å; S128-K131 PolarHBondContact OG-N 3.21Å; S128-R132 PolarHBondContact O-N 2.81Å
129P97.8Very high98.2Very high109 Ų10949.5 Ų49.571%0.70825%0.25SC*.Hα-helixtrans-52.4-38.4177-28.835.9000113.6R132 K133P129-R132 PolarHBondContact O-N 3.4Å; P129-K133 PolarHBondContact O-N 3.11Å
130K98.1Very high98.2Very high164 Ų16449.6 Ų49.671%0.71325%0.254SS*.Hα-helixtrans-62.2-47.8175.2-176.8179.8177.7-1790111.9S128 K133 M134S128-K130 PolarHBondContact O-N 3.41Å; S128-K130 VanDerWaalsContact O-N 3.15Å; K130-K133 PolarHBondContact O-N 2.9Å; K130-M134 HydrophobicContact CG-SD 4.28Å; K130-M134 WeakPolarHBondContact O-CG 3.44Å; K130-M134 PolarHBondContact O-N 3.46Å
131K98.2Very high98.2Very high57 Ų5751.8 Ų51.825%0.24826%0.258CS..Hα-helixtrans-68.2-34.3-178.9-169.6170.3-175.51740112F127 S128 M134 F135 W236F127-K131 HydrophobicContact CB-CB 4.09Å; F127-K131 HydrophobicContact CB-CD 4.42Å; F127-K131 HydrophobicContact CB-CG 4.23Å; F127-K131 HydrophobicContact CD1-CD 3.77Å; F127-K131 HydrophobicContact CD1-CG 4.31Å; F127-K131 HydrophobicContact CD2-CB 4.49Å; F127-K131 HydrophobicContact CD2-CD 4.18Å; F127-K131 HydrophobicContact CD2-CG 3.83Å; F127-K131 HydrophobicContact CE1-CD 3.96Å; F127-K131 HydrophobicContact CE2-CD 4.38Å; F127-K131 HydrophobicContact CE2-CG 4.22Å; F127-K131 HydrophobicContact CG-CB 4.3Å; F127-K131 HydrophobicContact CG-CD 3.87Å; F127-K131 HydrophobicContact CG-CG 3.88Å; F127-K131 HydrophobicContact CZ-CD 4.28Å; S128-K131 PolarHBondContact O-N 3.43Å; S128-K131 PolarHBondContact OG-N 3.21Å; K131-M134 PolarHBondContact O-N 2.86Å; K131-F135 PolarHBondContact O-N 3.46Å; K131-W236 HydrophobicContact CD-CH2 4.49Å; K131-W236 HydrophobicContact CD-CZ2 4.33Å; K131-W236 HydrophobicContact CG-CH2 3.89Å; K131-W236 HydrophobicContact CG-CZ2 4.2Å; K131-W236 HydrophobicContact CG-CZ3 4.47Å
132R98.1Very high98.2Very high64 Ų6451.9 Ų51.924%0.24226%0.258CS..Hα-helixtrans-61-47.7169.9-72.1-178.8-171.4166.67.3112.1I124 L125 F127 S128 P129 M134 F135 V136 L259I124-R132 PolarHBondContact O-NE 3.15Å; L125-R132 PolarHBondContact O-NH2 2.96Å; F127-R132 HydrophobicContact CB-CG 3.71Å; F127-R132 PolarHBondContact O-NE 3.49Å; F127-R132 VanDerWaalsContact O-NE 3.09Å; S128-R132 PolarHBondContact O-N 2.81Å; P129-R132 PolarHBondContact O-N 3.4Å; R132-M134 VanDerWaalsContact C-N 3.32Å; R132-M134 PolarHBondContact O-N 3.46Å; R132-F135 WeakPolarHBondContact O-CB 3.11Å; R132-F135 PolarHBondContact O-N 2.92Å; R132-V136 WeakPolarHBondContact O-CG2 3.21Å; R132-V136 PolarHBondContact O-N 3.25Å; R132-L259 HydrophobicContact CB-CD1 3.75Å; R132-L259 HydrophobicContact CG-CD1 3.82Å
133K98.2Very high98.1Very high142 Ų14250 Ų5062%0.61725%0.253SS*.Hα-helixtrans-60.3-41.5175.5-174.2175.4-178.7176.60112P129 K130 V136 N137P129-K133 PolarHBondContact O-N 3.11Å; K130-K133 PolarHBondContact O-N 2.9Å; K133-V136 PolarHBondContact O-N 3.49Å; K133-N137 WeakPolarHBondContact O-CB 3.28Å; K133-N137 VanDerWaalsContact O-CG 3.23Å; K133-N137 PolarHBondContact O-N 3.12Å; K133-N137 PolarHBondContact O-ND2 2.92Å
134M98.5Very high98Very high37 Ų3753.7 Ų53.718%0.18228%0.277CS..Hα-helixtrans-59.7-46.2174-70.316757.100111.6K130 K131 R132 N137 V138 Y234 W236K130-M134 HydrophobicContact CG-SD 4.28Å; K130-M134 WeakPolarHBondContact O-CG 3.44Å; K130-M134 PolarHBondContact O-N 3.46Å; K131-M134 PolarHBondContact O-N 2.86Å; R132-M134 VanDerWaalsContact C-N 3.32Å; R132-M134 PolarHBondContact O-N 3.46Å; M134-N137 PolarHBondContact O-N 3.33Å; M134-V138 WeakPolarHBondContact O-CG2 3.49Å; M134-V138 PolarHBondContact O-N 3.12Å; M134-Y234 HydrophobicContact CB-CD2 4.06Å; M134-Y234 HydrophobicContact CB-CE2 3.94Å; M134-Y234 HydrophobicContact CE-CD1 4.37Å; M134-Y234 HydrophobicContact CE-CD2 4.16Å; M134-Y234 HydrophobicContact CE-CG 3.84Å; M134-Y234 HydrophobicContact CG-CD1 4.2Å; M134-Y234 HydrophobicContact CG-CD2 4.16Å; M134-Y234 HydrophobicContact CG-CE1 4.17Å; M134-Y234 HydrophobicContact CG-CE2 4.1Å; M134-Y234 HydrophobicContact CG-CG 4.23Å; M134-W236 HydrophobicContact CB-CE3 4.19Å; M134-W236 HydrophobicContact CB-CZ3 3.98Å; M134-W236 HydrophobicContact CE-CB 4.46Å; M134-W236 HydrophobicContact CE-CD2 4.13Å; M134-W236 HydrophobicContact CE-CE3 3.71Å; M134-W236 HydrophobicContact CE-CG 4.44Å; M134-W236 HydrophobicContact CE-CZ3 4.36Å
135F98.7Very high98Very high0 Ų054.8 Ų54.80%028%0.284CS..Hα-helixtrans-59.3-48.5176.3172.6-100.7000111.7I124 K131 R132 N137 V138 V139 W236 F239 P242 L260 L392 V393I124-F135 HydrophobicContact CD1-CD1 3.71Å; I124-F135 HydrophobicContact CD1-CE1 3.53Å; I124-F135 HydrophobicContact CD1-CZ 4.29Å; K131-F135 PolarHBondContact O-N 3.46Å; R132-F135 WeakPolarHBondContact O-CB 3.11Å; R132-F135 PolarHBondContact O-N 2.92Å; F135-N137 VanDerWaalsContact C-N 3.3Å; F135-N137 PolarHBondContact O-N 3.29Å; F135-V138 WeakPolarHBondContact O-CB 3.38Å; F135-V138 PolarHBondContact O-N 3.28Å; F135-V138 VanDerWaalsContact O-N 3.1Å; F135-V139 HydrophobicContact CD1-CG2 4.31Å; F135-V139 HydrophobicContact CD2-CG2 4.3Å; F135-V139 HydrophobicContact CE1-CG2 3.84Å; F135-V139 HydrophobicContact CE2-CG2 3.81Å; F135-V139 HydrophobicContact CZ-CG2 3.57Å; F135-V139 WeakPolarHBondContact O-CG2 3.29Å; F135-V139 PolarHBondContact O-N 2.71Å; F135-W236 HydrophobicContact CB-CH2 4.45Å; F135-W236 HydrophobicContact CB-CZ3 4.36Å; F135-F239 AromaticContact CD2-CE2 3.9Å; F135-F239 HydrophobicContact CD2-CE2 3.9Å; F135-F239 HydrophobicContact CD2-CZ 4.14Å; F135-F239 HydrophobicContact CE2-CE2 4.44Å; F135-F239 HydrophobicContact CE2-CZ 4.21Å; F135-P242 HydrophobicContact CD2-CG 4.06Å; F135-P242 HydrophobicContact CE1-CG 4.4Å; F135-P242 HydrophobicContact CE2-CG 3.79Å; F135-P242 HydrophobicContact CZ-CG 3.96Å; F135-L260 HydrophobicContact CE1-CD2 4Å; F135-L392 HydrophobicContact CZ-CD1 4.47Å; F135-V393 HydrophobicContact CZ-CG1 4.33Å
136V98.6Very high97.9Very high9 Ų956.3 Ų56.36%0.05530%0.298CS..Hα-helixtrans-56.4-45176.4172.30000111.1R132 K133 V138 V139 T140 L259 P278 F279R132-V136 WeakPolarHBondContact O-CG2 3.21Å; R132-V136 PolarHBondContact O-N 3.25Å; K133-V136 PolarHBondContact O-N 3.49Å; V136-V138 VanDerWaalsContact C-N 3.32Å; V136-V138 PolarHBondContact O-N 2.04Å; V136-V139 PolarHBondContact O-N 3.31Å; V136-T140 HydrophobicContact CG1-CG2 4.16Å; V136-T140 WeakPolarHBondContact O-CG2 3.3Å; V136-T140 PolarHBondContact O-N 2.93Å; V136-T140 PolarHBondContact O-OG1 2.94Å; V136-L259 HydrophobicContact CG2-CD1 4.26Å; V136-L259 VanDerWaalsContact CG2-O 3.23Å; V136-L259 WeakPolarHBondContact CG2-O 3.14Å; V136-P278 HydrophobicContact CG1-CG 3.49Å; V136-P278 VanDerWaalsContact CG1-CG 3.49Å; V136-F279 HydrophobicContact CG1-CE2 4.08Å; V136-F279 HydrophobicContact CG1-CZ 4.03Å
137N98.5Very high97.7Very high49 Ų4953.1 Ų53.126%0.26228%0.275SS..Hα-helixtrans-66.1-31.6178.3-70.1-14.7000113.7K133 M134 F135 T140 R141 Y234K133-N137 WeakPolarHBondContact O-CB 3.28Å; K133-N137 VanDerWaalsContact O-CG 3.23Å; K133-N137 PolarHBondContact O-N 3.12Å; K133-N137 PolarHBondContact O-ND2 2.92Å; M134-N137 PolarHBondContact O-N 3.33Å; F135-N137 VanDerWaalsContact C-N 3.3Å; F135-N137 PolarHBondContact O-N 3.29Å; N137-T140 WeakPolarHBondContact CA-OG1 3.43Å; N137-T140 PolarHBondContact O-OG1 3.01Å; N137-R141 WeakPolarHBondContact O-CB 3.44Å; N137-R141 PolarHBondContact O-N 3.19Å; N137-Y234 HydrophobicContact CB-CE2 4.11Å; N137-Y234 WeakPolarHBondContact CB-OH 3.47Å; N137-Y234 PolarHBondContact ND2-OH 2.98Å
138V98.7Very high97.4Very high0 Ų057.4 Ų57.40%030%0.298CS..Hα-helixtrans-68.1-47.5173.5166.20000110.4M134 F135 V136 T140 R141 L226 I229 A230 L233 Y234 F239M134-V138 WeakPolarHBondContact O-CG2 3.49Å; M134-V138 PolarHBondContact O-N 3.12Å; F135-V138 WeakPolarHBondContact O-CB 3.38Å; F135-V138 PolarHBondContact O-N 3.28Å; F135-V138 VanDerWaalsContact O-N 3.1Å; V136-V138 VanDerWaalsContact C-N 3.32Å; V136-V138 PolarHBondContact O-N 2.04Å; V138-T140 VanDerWaalsContact C-N 3.32Å; V138-T140 PolarHBondContact O-N 3.46Å; V138-R141 PolarHBondContact O-N 3.29Å; V138-L226 HydrophobicContact CG1-CB 4.16Å; V138-L226 HydrophobicContact CG1-CD2 4Å; V138-I229 HydrophobicContact CB-CG2 4.36Å; V138-I229 HydrophobicContact CG1-CB 4.34Å; V138-I229 HydrophobicContact CG1-CG2 4.01Å; V138-I229 HydrophobicContact CG2-CG2 4.43Å; V138-A230 HydrophobicContact CG1-CB 4.18Å; V138-A230 HydrophobicContact CG2-CB 3.7Å; V138-L233 HydrophobicContact CG2-CD1 4.28Å; V138-Y234 HydrophobicContact CG2-CD2 4.15Å; V138-Y234 HydrophobicContact CG2-CE2 4.18Å; V138-F239 HydrophobicContact CB-CE2 4.24Å; V138-F239 HydrophobicContact CG1-CD2 4.43Å; V138-F239 HydrophobicContact CG1-CE2 3.73Å; V138-F239 HydrophobicContact CG1-CZ 3.85Å; V138-F239 HydrophobicContact CG2-CE2 4.47Å
139V98.6Very high97.3Very high0 Ų055.7 Ų55.70%028%0.282CS..Hα-helixtrans-60.6-44.8176.5176.20000109.8F135 V136 R141 M142 F279 W282 P389 L392F135-V139 HydrophobicContact CD1-CG2 4.31Å; F135-V139 HydrophobicContact CD2-CG2 4.3Å; F135-V139 HydrophobicContact CE1-CG2 3.84Å; F135-V139 HydrophobicContact CE2-CG2 3.81Å; F135-V139 HydrophobicContact CZ-CG2 3.57Å; F135-V139 WeakPolarHBondContact O-CG2 3.29Å; F135-V139 PolarHBondContact O-N 2.71Å; V136-V139 PolarHBondContact O-N 3.31Å; V139-R141 PolarHBondContact O-N 2.9Å; V139-M142 HydrophobicContact CB-CE 4.35Å; V139-M142 HydrophobicContact CG1-CE 3.6Å; V139-M142 VanDerWaalsContact O-CB 3.31Å; V139-M142 WeakPolarHBondContact O-CB 3.26Å; V139-M142 VanDerWaalsContact O-CE 3.29Å; V139-M142 WeakPolarHBondContact O-CE 3.41Å; V139-M142 VanDerWaalsContact O-CG 3.26Å; V139-M142 WeakPolarHBondContact O-CG 3.26Å; V139-M142 PolarHBondContact O-N 3.2Å; V139-M142 VanDerWaalsContact O-N 3.11Å; V139-F279 HydrophobicContact CB-CE1 4.34Å; V139-F279 HydrophobicContact CB-CZ 4.27Å; V139-F279 HydrophobicContact CG1-CE1 3.63Å; V139-F279 HydrophobicContact CG1-CZ 3.87Å; V139-W282 HydrophobicContact CG1-CH2 4.06Å; V139-P389 HydrophobicContact CG1-CB 4.08Å; V139-P389 HydrophobicContact CG1-CG 4.21Å; V139-L392 HydrophobicContact CG1-CD1 4.13Å; V139-L392 HydrophobicContact CG2-CD1 3.83Å
140T98.3Very high97Very high34 Ų3450.7 Ų50.721%0.20925%0.25CC..Hα-helixtrans-70.6-22-17661.50000114.8V136 N137 V138 M142 P278 F279 W282V136-T140 HydrophobicContact CG1-CG2 4.16Å; V136-T140 WeakPolarHBondContact O-CG2 3.3Å; V136-T140 PolarHBondContact O-N 2.93Å; V136-T140 PolarHBondContact O-OG1 2.94Å; N137-T140 WeakPolarHBondContact CA-OG1 3.43Å; N137-T140 PolarHBondContact O-OG1 3.01Å; V138-T140 VanDerWaalsContact C-N 3.32Å; V138-T140 PolarHBondContact O-N 3.46Å; T140-M142 PolarHBondContact O-N 3.21Å; T140-P278 HydrophobicContact CG2-CB 3.72Å; T140-P278 HydrophobicContact CG2-CG 3.8Å; T140-F279 HydrophobicContact CG2-CD1 4.14Å; T140-F279 HydrophobicContact CG2-CE1 3.53Å; T140-F279 HydrophobicContact CG2-CZ 3.9Å; T140-W282 HydrophobicContact CG2-CH2 4.5Å; T140-W282 HydrophobicContact CG2-CZ2 3.77Å
141R98.3Very high96.7Very high108 Ų10842.9 Ų42.941%0.40822%0.216SC..G310 helixtrans-69.6-15174.6-174.554.963.8124.46.6112.9N137 V138 V139 L143 T144 T145 I229 L233N137-R141 WeakPolarHBondContact O-CB 3.44Å; N137-R141 PolarHBondContact O-N 3.19Å; V138-R141 PolarHBondContact O-N 3.29Å; V139-R141 PolarHBondContact O-N 2.9Å; R141-L143 PolarHBondContact O-N 2.8Å; R141-T144 PolarHBondContact O-N 3.24Å; R141-T144 PolarHBondContact O-OG1 3.05Å; R141-T145 WeakPolarHBondContact CG-OG1 3.04Å; R141-T145 PolarHBondContact O-N 3.47Å; R141-T145 PolarHBondContact O-OG1 3.44Å; R141-I229 HydrophobicContact CB-CG2 3.67Å; R141-I229 HydrophobicContact CG-CG2 3.65Å; R141-L233 HydrophobicContact CB-CD1 4.08Å; R141-L233 HydrophobicContact CG-CD1 4.2Å
142M98Very high96.3Very high1 Ų140.3 Ų40.31%0.00521%0.205CC..G310 helixtrans-57.9-43.4179.4-70.5-168.8-67.800113.3V139 T140 T144 T145 D172 V173 Q174 W222 L226 I229 W282V139-M142 HydrophobicContact CB-CE 4.35Å; V139-M142 HydrophobicContact CG1-CE 3.6Å; V139-M142 VanDerWaalsContact O-CB 3.31Å; V139-M142 WeakPolarHBondContact O-CB 3.26Å; V139-M142 VanDerWaalsContact O-CE 3.29Å; V139-M142 WeakPolarHBondContact O-CE 3.41Å; V139-M142 VanDerWaalsContact O-CG 3.26Å; V139-M142 WeakPolarHBondContact O-CG 3.26Å; V139-M142 PolarHBondContact O-N 3.2Å; V139-M142 VanDerWaalsContact O-N 3.11Å; T140-M142 PolarHBondContact O-N 3.21Å; M142-T144 PolarHBondContact O-N 3.3Å; M142-T145 PolarHBondContact O-N 3.28Å; M142-T145 VanDerWaalsContact O-N 3.11Å; M142-D172 WeakPolarHBondContact O-CB 3.49Å; M142-V173 HydrophobicContact CB-CB 4.03Å; M142-V173 HydrophobicContact CB-CG1 4.15Å; M142-V173 HydrophobicContact CG-CB 4.15Å; M142-V173 HydrophobicContact CG-CG1 3.76Å; M142-V173 PolarHBondContact O-N 3.49Å; M142-V173 HydrophobicContact SD-CG1 3.85Å; M142-Q174 HydrophobicContact CB-CB 3.94Å; M142-W222 HydrophobicContact CE-CZ2 4.09Å; M142-W222 HydrophobicContact SD-CZ2 3.93Å; M142-W222 PolarHBondContact SD-NE1 2.8Å; M142-L226 HydrophobicContact CE-CD2 4.44Å; M142-L226 HydrophobicContact CG-CD2 3.48Å; M142-L226 VanDerWaalsContact CG-CD2 3.48Å; M142-L226 HydrophobicContact SD-CD2 3.46Å; M142-L226 WeakPolarHBondContact SD-CD2 3.45Å; M142-L226 HydrophobicContact SD-CG 4.29Å; M142-I229 HydrophobicContact CG-CD1 4.15Å; M142-W282 HydrophobicContact CE-CH2 4.43Å; M142-W282 HydrophobicContact CE-CZ3 4.45Å
143L96.3Very high95.8Very high41 Ų4138.7 Ų38.722%0.21520%0.199CC..G310 helixtrans-59.9-13.9-178.6-73.1177.9000114.8R141 Q174 W282 P283 Y285R141-L143 PolarHBondContact O-N 2.8Å; L143-Q174 HydrophobicContact CD2-CB 3.91Å; L143-Q174 HydrophobicContact CD2-CG 3.97Å; L143-W282 HydrophobicContact CD1-CD2 3.64Å; L143-W282 HydrophobicContact CD1-CE3 4.3Å; L143-W282 HydrophobicContact CD1-CG 3.87Å; L143-W282 HydrophobicContact CD1-CH2 4.38Å; L143-W282 HydrophobicContact CD1-CZ2 3.75Å; L143-W282 HydrophobicContact CG-CD2 4.31Å; L143-W282 HydrophobicContact CG-CH2 4.31Å; L143-W282 HydrophobicContact CG-CZ2 4.12Å; L143-P283 HydrophobicContact CD2-CG 3.76Å; L143-Y285 HydrophobicContact CD2-CE2 4.15Å
144T97Very high95.3Very high105 Ų10532 Ų3264%0.64417%0.17SC*.G310 helixtrans-126.84.4-178.753.80000112.7R141 M142R141-T144 PolarHBondContact O-N 3.24Å; R141-T144 PolarHBondContact O-OG1 3.05Å; M142-T144 PolarHBondContact O-N 3.3Å
145T97.4Very high94.4Very high24 Ų2434.2 Ų34.215%0.14718%0.179CC..  trans-95.2118.8179.4-61.20000109R141 M142 D172 V173 I229R141-T145 WeakPolarHBondContact CG-OG1 3.04Å; R141-T145 PolarHBondContact O-N 3.47Å; R141-T145 PolarHBondContact O-OG1 3.44Å; M142-T145 PolarHBondContact O-N 3.28Å; M142-T145 VanDerWaalsContact O-N 3.11Å; T145-D172 CarbonylContact O-C 3.48Å; T145-D172 VanDerWaalsContact O-CA 3.24Å; T145-D172 WeakPolarHBondContact O-CA 3.45Å; T145-V173 HydrophobicContact CG2-CG2 3.77Å; T145-V173 PolarHBondContact O-N 3.17Å; T145-I229 HydrophobicContact CG2-CD1 4.03Å; T145-I229 HydrophobicContact CG2-CG1 4.02Å
146P95.3Very high93.2Very high92 Ų9236.4 Ų36.460%0.59719%0.191SC*.EExtended strand (participates in β ladder)trans-67.416017630.2-35.6000110.7
147T93.8Very high91.8Very high4 Ų436.6 Ų36.63%0.02519%0.193CC..EExtended strand (participates in β ladder)trans-119162.1174.890.40000111.9K25 Y149 V173 L176K25-T147 WeakPolarHBondContact CE-O 3.39Å; K25-T147 PolarHBondContact NZ-O 3.4Å; T147-Y149 PolarHBondContact O-N 3.02Å; T147-Y149 PolarHBondContact OG1-N 2.93Å; T147-Y149 VanDerWaalsContact OG1-N 3.08Å; T147-Y149 PolarHBondContact OG1-O 3.31Å; T147-V173 HydrophobicContact CG2-CB 4.23Å; T147-V173 HydrophobicContact CG2-CG2 3.7Å; T147-L176 HydrophobicContact CG2-CB 4.14Å; T147-L176 HydrophobicContact CG2-CD2 3.9Å
148D91.7Very high90.3Very high103 Ų10340.3 Ų40.355%0.55121%0.212SC*.EExtended strand (participates in β ladder)trans-82.56.2172.1-59.2-43.7000112.4K25K25-D148 WeakPolarHBondContact CG-O 3.2Å; K25-D148 PolarHBondContact N-O 2.86Å
149Y94Very high88.7Confident26 Ų2646 Ų4610%0.10224%0.238CC..EExtended strand (participates in β ladder)trans-117.1164.5176.5-61.6-92.6000108.1L22 P24 T147 L176 F221 I435L22-Y149 WeakPolarHBondContact O-CD1 3.33Å; P24-Y149 HydrophobicContact CB-CE1 4.47Å; P24-Y149 HydrophobicContact CG-CD1 4.22Å; P24-Y149 HydrophobicContact CG-CE1 3.75Å; T147-Y149 PolarHBondContact O-N 3.02Å; T147-Y149 PolarHBondContact OG1-N 2.93Å; T147-Y149 VanDerWaalsContact OG1-N 3.08Å; T147-Y149 PolarHBondContact OG1-O 3.31Å; Y149-L176 HydrophobicContact CD2-CD2 4.03Å; Y149-L176 HydrophobicContact CG-CD2 4.25Å; Y149-F221 HydrophobicContact CD2-CZ 4.14Å; Y149-F221 HydrophobicContact CE1-CZ 4.46Å; Y149-F221 HydrophobicContact CE2-CE2 4.01Å; Y149-F221 AromaticContact CE2-CZ 3.57Å; Y149-F221 HydrophobicContact CE2-CZ 3.57Å; Y149-F221 AromaticContact CZ-CZ 3.74Å; Y149-I435 VanDerWaalsContact CE1-O 3.25Å; Y149-I435 WeakPolarHBondContact CE1-O 2.99Å; Y149-I435 PolarHBondContact OH-O 3.17Å
150L92.3Very high87Confident4 Ų446.3 Ų46.32%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-130-164.9169.3-43.595.3000106.5Q20 C21 L22 K25 L169 D170Q20-L150 VanDerWaalsContact C-CG 3.5Å; Q20-L150 HydrophobicContact CB-CB 4.44Å; Q20-L150 HydrophobicContact CB-CD1 3.03Å; Q20-L150 HydrophobicContact CB-CD2 3.44Å; Q20-L150 VanDerWaalsContact CB-CD2 3.44Å; Q20-L150 HydrophobicContact CB-CG 3.64Å; Q20-L150 HydrophobicContact CG-CD1 4.16Å; Q20-L150 HydrophobicContact CG-CD2 4.11Å; Q20-L150 WeakPolarHBondContact O-CB 3.16Å; Q20-L150 VanDerWaalsContact O-CD2 3.25Å; Q20-L150 WeakPolarHBondContact O-CD2 3.05Å; Q20-L150 VanDerWaalsContact O-CG 3.26Å; Q20-L150 WeakPolarHBondContact O-CG 3.08Å; C21-L150 CarbonylContact C-O 3.3Å; C21-L150 CarbonylContact O-C 3.49Å; C21-L150 WeakPolarHBondContact O-CA 3.09Å; C21-L150 WeakPolarHBondContact O-CB 3.45Å; C21-L150 WeakPolarHBondContact O-CD1 3.35Å; C21-L150 PolarHBondContact O-N 3.29Å; L22-L150 WeakPolarHBondContact CA-O 3.36Å; L22-L150 PolarHBondContact N-O 3.47Å; K25-L150 HydrophobicContact CB-CD1 4.08Å; K25-L150 HydrophobicContact CD-CD1 4.39Å; K25-L150 HydrophobicContact CD-CG 4.43Å; K25-L150 HydrophobicContact CG-CD1 3.28Å; K25-L150 HydrophobicContact CG-CD2 4.22Å; K25-L150 HydrophobicContact CG-CG 3.79Å; L150-L169 WeakPolarHBondContact CA-O 3.4Å; L150-L169 VanDerWaalsContact CB-O 3.24Å; L150-L169 WeakPolarHBondContact CB-O 3.31Å; L150-D170 HydrophobicContact CD2-CB 3.96Å
151I92.1Very high85.4Confident0 Ų046.4 Ų46.40%024%0.24CC..EExtended strand (participates in β ladder)trans-138.3159.4177.261.2170.8000111.6F168 L169 V171 Y175 L176 F179I151-F168 CarbonylContact O-C 2.98Å; I151-F168 WeakPolarHBondContact O-CA 3.45Å; I151-F168 WeakPolarHBondContact O-CB 3.35Å; I151-L169 HydrophobicContact CG1-CB 4.05Å; I151-L169 PolarHBondContact N-O 3.06Å; I151-L169 PolarHBondContact O-N 2.99Å; I151-V171 HydrophobicContact CD1-CG1 3.55Å; I151-V171 HydrophobicContact CG1-CG1 3.63Å; I151-V171 HydrophobicContact CG1-CG2 4.39Å; I151-V171 HydrophobicContact CG2-CG2 3.88Å; I151-Y175 HydrophobicContact CD1-CD1 4.48Å; I151-Y175 HydrophobicContact CD1-CD2 4.16Å; I151-Y175 HydrophobicContact CD1-CE1 4.13Å; I151-Y175 HydrophobicContact CD1-CE2 3.78Å; I151-L176 HydrophobicContact CG2-CD1 4.01Å; I151-F179 HydrophobicContact CB-CB 4.37Å; I151-F179 HydrophobicContact CB-CD1 3.63Å; I151-F179 HydrophobicContact CB-CD2 3.96Å; I151-F179 HydrophobicContact CB-CE1 3.9Å; I151-F179 HydrophobicContact CB-CE2 4.2Å; I151-F179 HydrophobicContact CB-CG 3.69Å; I151-F179 HydrophobicContact CB-CZ 4.2Å; I151-F179 HydrophobicContact CD1-CB 4.06Å; I151-F179 HydrophobicContact CD1-CD2 3.67Å; I151-F179 HydrophobicContact CD1-CE2 4.36Å; I151-F179 HydrophobicContact CD1-CG 3.87Å; I151-F179 HydrophobicContact CG1-CD2 4.33Å; I151-F179 HydrophobicContact CG1-CG 4.38Å; I151-F179 HydrophobicContact CG2-CB 3.77Å; I151-F179 HydrophobicContact CG2-CD1 3.4Å; I151-F179 VanDerWaalsContact CG2-CD1 3.4Å; I151-F179 HydrophobicContact CG2-CD2 4.3Å; I151-F179 HydrophobicContact CG2-CE1 4.12Å; I151-F179 HydrophobicContact CG2-CG 3.53Å
152L89.2Confident83.8Confident3 Ų341.6 Ų41.62%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-67.2133.4168.9-75.1157.2000109.8C21 F85 E154 P162 P166 F168 F179 Y183 H299C21-L152 VanDerWaalsContact SG-CG 3.56Å; F85-L152 HydrophobicContact CE1-CD1 4.35Å; F85-L152 HydrophobicContact CZ-CD1 4.08Å; L152-E154 HydrophobicContact CB-CG 3.62Å; L152-E154 PolarHBondContact O-N 3.29Å; L152-P162 HydrophobicContact CD1-CB 3.97Å; L152-P162 HydrophobicContact CD2-CB 3.96Å; L152-P166 HydrophobicContact CD2-CB 3.96Å; L152-F168 HydrophobicContact CD2-CD1 3.68Å; L152-F168 HydrophobicContact CD2-CE1 3.38Å; L152-F168 HydrophobicContact CG-CD1 4.3Å; L152-F168 HydrophobicContact CG-CE1 4.3Å; L152-F179 HydrophobicContact CB-CZ 3.87Å; L152-F179 VanDerWaalsContact O-CE2 3.3Å; L152-F179 WeakPolarHBondContact O-CE2 3.43Å; L152-Y183 HydrophobicContact CD1-CD2 4.33Å; L152-Y183 HydrophobicContact CD1-CE2 3.59Å; L152-H299 PolarHBondContact O-CE1 2.9Å
153F88.7Confident82.5Confident30 Ų3043.2 Ų43.213%0.13223%0.231CC..  trans-77.5103165.7-178.6-110.5000108.7K155 K167 L169 H299 W302F153-K155 HydrophobicContact CD1-CB 4.47Å; F153-K155 HydrophobicContact CE1-CB 3.7Å; F153-K155 HydrophobicContact CE1-CD 4.32Å; F153-K155 HydrophobicContact CE2-CB 4.49Å; F153-K155 HydrophobicContact CZ-CB 3.74Å; F153-K155 HydrophobicContact CZ-CD 4.06Å; F153-K155 HydrophobicContact CZ-CG 4.34Å; F153-K167 HydrophobicContact CB-CB 3.8Å; F153-K167 WeakPolarHBondContact CB-O 3.26Å; F153-K167 HydrophobicContact CD1-CB 4.2Å; F153-K167 HydrophobicContact CD1-CD 4.31Å; F153-K167 HydrophobicContact CG-CB 4.39Å; F153-K167 PolarHBondContact N-O 2.8Å; F153-L169 HydrophobicContact CB-CG 4.22Å; F153-L169 HydrophobicContact CD2-CD1 3.71Å; F153-L169 HydrophobicContact CD2-CD2 4.47Å; F153-L169 HydrophobicContact CD2-CG 4.17Å; F153-L169 HydrophobicContact CE2-CD1 4.47Å; F153-H299 HydrophobicContact CD2-CB 4.12Å; F153-H299 AromaticContact CD2-CD2 3.77Å; F153-H299 AromaticContact CD2-CG 3.8Å; F153-H299 HydrophobicContact CE2-CB 3.87Å; F153-W302 HydrophobicContact CE2-CD2 4.24Å; F153-W302 HydrophobicContact CE2-CE3 4.45Å; F153-W302 HydrophobicContact CE2-CG 4.37Å; F153-W302 HydrophobicContact CZ-CE3 4.47Å
154E86.1Confident81.4Confident1 Ų149.4 Ų49.41%0.00525%0.251CS..  trans-116.480.7-177.3-54.6-173.5138.300111.9L152 S160 F179 Y183 R186 S297 H299L152-E154 HydrophobicContact CB-CG 3.62Å; L152-E154 PolarHBondContact O-N 3.29Å; E154-S160 VanDerWaalsContact CA-OG 3.31Å; E154-S160 WeakPolarHBondContact CA-OG 3.42Å; E154-F179 HydrophobicContact CG-CE2 4.44Å; E154-F179 HydrophobicContact CG-CZ 4.45Å; E154-Y183 WeakPolarHBondContact OE1-CE2 3.46Å; E154-R186 IonicContact OE1-CZ 3.69Å; E154-R186 IonicContact OE1-NE 3.54Å; E154-R186 PolarHBondContact OE1-NE 3.32Å; E154-R186 VanDerWaalsContact OE1-NE 3.16Å; E154-R186 IonicContact OE1-NH2 3.18Å; E154-R186 PolarHBondContact OE1-NH2 3.13Å; E154-R186 WeakPolarHBondContact OE2-CD 3.23Å; E154-R186 IonicContact OE2-CZ 3.12Å; E154-R186 IonicContact OE2-NE 3.36Å; E154-R186 PolarHBondContact OE2-NE 2.78Å; E154-R186 IonicContact OE2-NH2 2.68Å; E154-S297 VanDerWaalsContact CB-OG 3.3Å; E154-S297 WeakPolarHBondContact CB-OG 3.24Å; E154-S297 CarbonylContact O-C 3.55Å; E154-S297 WeakPolarHBondContact O-CB 3.39Å; E154-S297 WeakPolarHBondContact OE2-CB 3.13Å; E154-S297 PolarHBondContact OE2-OG 3.48Å; E154-H299 PolarHBondContact N-ND1 3.4Å; E154-H299 WeakPolarHBondContact O-CA 3.43Å; E154-H299 VanDerWaalsContact O-CB 3.26Å; E154-H299 WeakPolarHBondContact O-CB 3.2Å; E154-H299 PolarHBondContact O-N 3.38Å
155K80Confident80.6Confident85 Ų8551.7 Ų51.737%0.3725%0.252SS..SBendtrans-80.1-54.7-179.2-174.3176.5-177.1178.90112.6F153 S160 H299 A300F153-K155 HydrophobicContact CD1-CB 4.47Å; F153-K155 HydrophobicContact CE1-CB 3.7Å; F153-K155 HydrophobicContact CE1-CD 4.32Å; F153-K155 HydrophobicContact CE2-CB 4.49Å; F153-K155 HydrophobicContact CZ-CB 3.74Å; F153-K155 HydrophobicContact CZ-CD 4.06Å; F153-K155 HydrophobicContact CZ-CG 4.34Å; K155-S160 PolarHBondContact N-OG 2.93Å; K155-H299 HydrophobicContact CB-CB 4.39Å; K155-A300 WeakPolarHBondContact O-CA 3.29Å
156D73.2Confident79.8Confident46 Ų4651.3 Ų51.325%0.24625%0.25CC..  trans-155.4167.2179.860.362.6000110.2I158 H159 S160D156-I158 PolarHBondContact O-N 3.17Å; D156-I158 VanDerWaalsContact O-N 3.12Å; D156-I158 WeakPolarHBondContact OD1-CA 3.33Å; D156-I158 WeakPolarHBondContact OD1-CB 3.49Å; D156-I158 PolarHBondContact OD1-N 2.99Å; D156-H159 PolarHBondContact O-N 3.24Å; D156-H159 IonicContact OD1-CE1 3.32Å; D156-H159 IonicContact OD1-CG 2.66Å; D156-H159 PolarHBondContact OD1-N 3.24Å; D156-H159 IonicContact OD1-ND1 3.88Å; D156-H159 PolarHBondContact OD1-ND1 2.98Å; D156-H159 IonicContact OD2-CE1 3.93Å; D156-H159 IonicContact OD2-CG 2.97Å; D156-H159 IonicContact OD2-ND1 3.18Å; D156-H159 PolarHBondContact OD2-ND1 3.43Å; D156-S160 PolarHBondContact N-OG 3.04Å; D156-S160 VanDerWaalsContact N-OG 3.1Å; D156-S160 WeakPolarHBondContact O-CB 3.44Å; D156-S160 PolarHBondContact O-N 2.91Å; D156-S160 PolarHBondContact O-OG 3.24Å
157A69.6Low79.3Confident13 Ų1353.4 Ų53.411%0.10725%0.25CC..THydrogen-bonded Turntrans-57.8-26.2-177.700000113.7L189 F190 H191A157-L189 HydrophobicContact CB-CB 4.05Å; A157-L189 WeakPolarHBondContact CB-O 3.45Å; A157-F190 WeakPolarHBondContact CB-O 3.46Å; A157-H191 PolarHBondContact O-CE1 2.82Å; A157-H191 PolarHBondContact O-ND1 3.43Å
158I68.1Low78.9Confident126 Ų12654 Ų5465%0.64625%0.252SS*.THydrogen-bonded Turntrans-83.6-39.5-176.8-57.9173.4000111D156D156-I158 PolarHBondContact O-N 3.17Å; D156-I158 VanDerWaalsContact O-N 3.12Å; D156-I158 WeakPolarHBondContact OD1-CA 3.33Å; D156-I158 WeakPolarHBondContact OD1-CB 3.49Å; D156-I158 PolarHBondContact OD1-N 2.99Å
159H65.3Low78.8Confident121 Ų12151.5 Ų51.556%0.5624%0.238SC*.THydrogen-bonded Turntrans-99.75.9-174.7-57.9102.5000113.6D156D156-H159 PolarHBondContact O-N 3.24Å; D156-H159 IonicContact OD1-CE1 3.32Å; D156-H159 IonicContact OD1-CG 2.66Å; D156-H159 PolarHBondContact OD1-N 3.24Å; D156-H159 IonicContact OD1-ND1 3.88Å; D156-H159 PolarHBondContact OD1-ND1 2.98Å; D156-H159 IonicContact OD2-CE1 3.93Å; D156-H159 IonicContact OD2-CG 2.97Å; D156-H159 IonicContact OD2-ND1 3.18Å; D156-H159 PolarHBondContact OD2-ND1 3.43Å
160S62.5Low78.7Confident6 Ų654.9 Ų54.94%0.04226%0.258CS..  trans-138.367.3-173.4-35.70000110.1E154 K155 D156 P162E154-S160 VanDerWaalsContact CA-OG 3.31Å; E154-S160 WeakPolarHBondContact CA-OG 3.42Å; K155-S160 PolarHBondContact N-OG 2.93Å; D156-S160 PolarHBondContact N-OG 3.04Å; D156-S160 VanDerWaalsContact N-OG 3.1Å; D156-S160 WeakPolarHBondContact O-CB 3.44Å; D156-S160 PolarHBondContact O-N 2.91Å; D156-S160 PolarHBondContact O-OG 3.24Å; S160-P162 WeakPolarHBondContact O-CD 3.37Å
161D65.3Low78.8Confident36 Ų3655.1 Ų55.119%0.19326%0.26CS..  trans-95.3101.5164.2-166.9-9.5000109.1L163 W164D161-L163 PolarHBondContact O-N 3.42Å; D161-L163 WeakPolarHBondContact OD1-CA 3.21Å; D161-L163 WeakPolarHBondContact OD1-CB 3.26Å; D161-L163 PolarHBondContact OD1-N 2.84Å; D161-W164 HydrophobicContact CB-CB 3.94Å; D161-W164 CarbonylContact O-C 3.49Å; D161-W164 PolarHBondContact O-N 3.45Å; D161-W164 VanDerWaalsContact O-O 3.12Å; D161-W164 WeakPolarHBondContact OD2-CB 3.32Å
162P64.4Low79Confident7 Ų756.2 Ų56.25%0.04527%0.266CS..THydrogen-bonded Turntrans-51.7-22.1169.112.7-25.3000113.5D77 F85 L152 S160D77-P162 HydrophobicContact CB-CB 3.74Å; D77-P162 HydrophobicContact CB-CG 3.42Å; D77-P162 VanDerWaalsContact CB-CG 3.42Å; D77-P162 VanDerWaalsContact OD2-CB 3.27Å; D77-P162 WeakPolarHBondContact OD2-CB 3.46Å; D77-P162 WeakPolarHBondContact OD2-CG 3.5Å; F85-P162 HydrophobicContact CE1-CB 4.12Å; F85-P162 HydrophobicContact CZ-CB 3.85Å; L152-P162 HydrophobicContact CD1-CB 3.97Å; L152-P162 HydrophobicContact CD2-CB 3.96Å; S160-P162 WeakPolarHBondContact O-CD 3.37Å
163L70.5Confident79.4Confident34 Ų3456.1 Ų56.118%0.17827%0.265CS..THydrogen-bonded Turntrans-96.6-11.6-178.8-47.7-177.1000113.6A33 M75 D77 R84 D161A33-L163 WeakPolarHBondContact CB-O 3.47Å; M75-L163 HydrophobicContact CE-CD1 4.32Å; M75-L163 WeakPolarHBondContact O-CD1 3.35Å; D77-L163 HydrophobicContact CB-CD2 3.88Å; D77-L163 HydrophobicContact CB-CG 4.26Å; R84-L163 HydrophobicContact CB-CD2 3.53Å; R84-L163 HydrophobicContact CG-CD2 3.87Å; D161-L163 PolarHBondContact O-N 3.42Å; D161-L163 WeakPolarHBondContact OD1-CA 3.21Å; D161-L163 WeakPolarHBondContact OD1-CB 3.26Å; D161-L163 PolarHBondContact OD1-N 2.84Å
164W73.7Confident79.8Confident172 Ų17254.7 Ų54.765%0.65226%0.259SS*.SBendtrans-140107.3-179.2-170.280.8000112.5D161D161-W164 HydrophobicContact CB-CB 3.94Å; D161-W164 CarbonylContact O-C 3.49Å; D161-W164 PolarHBondContact O-N 3.45Å; D161-W164 VanDerWaalsContact O-O 3.12Å; D161-W164 WeakPolarHBondContact OD2-CB 3.32Å
165K78.4Confident80.3Confident153 Ų15355.4 Ų55.467%0.66526%0.262SS*.SBendtrans48.452.4-177.4-61.4-176.3178.3-179.60113.5
166P80.5Confident81.1Confident15 Ų1551.4 Ų51.410%0.09724%0.244CC..  trans-60.1142.4-178.927.9-38.6000112.3A33 I34 L152 F168A33-P166 HydrophobicContact CB-CG 4.44Å; I34-P166 HydrophobicContact CG2-CG 3.7Å; L152-P166 HydrophobicContact CD2-CB 3.96Å; P166-F168 HydrophobicContact CB-CD1 4.33Å; P166-F168 HydrophobicContact CB-CE1 3.51Å; P166-F168 HydrophobicContact CB-CE2 4.47Å; P166-F168 HydrophobicContact CB-CZ 3.63Å; P166-F168 HydrophobicContact CG-CE1 3.8Å; P166-F168 HydrophobicContact CG-CE2 4.16Å; P166-F168 HydrophobicContact CG-CZ 3.37Å
167K84.9Confident82.2Confident136 Ų13649.2 Ų49.259%0.59123%0.233SC*.  trans-100.7152.6169.7-72.1-179.3-177.6177.40109.5F153F153-K167 HydrophobicContact CB-CB 3.8Å; F153-K167 WeakPolarHBondContact CB-O 3.26Å; F153-K167 HydrophobicContact CD1-CB 4.2Å; F153-K167 HydrophobicContact CD1-CD 4.31Å; F153-K167 HydrophobicContact CG-CB 4.39Å; F153-K167 PolarHBondContact N-O 2.8Å
168F85.4Confident83.5Confident16 Ų1648.6 Ų48.67%0.0723%0.228CC..EExtended strand (participates in β ladder)trans-143.8154.8-174.4-43.7-67.6000113.1V19 Q20 C21 V28 I31 I151 L152 P166V19-F168 HydrophobicContact CB-CD2 4.49Å; V19-F168 HydrophobicContact CG1-CB 4.05Å; V19-F168 HydrophobicContact CG1-CD2 3.91Å; V19-F168 HydrophobicContact CG1-CG 4.39Å; Q20-F168 WeakPolarHBondContact O-CB 3.21Å; C21-F168 VanDerWaalsContact CA-CD1 3.42Å; C21-F168 HydrophobicContact CB-CB 4.18Å; C21-F168 HydrophobicContact CB-CD1 3.04Å; C21-F168 HydrophobicContact CB-CD2 3.93Å; C21-F168 HydrophobicContact CB-CE1 3.1Å; C21-F168 HydrophobicContact CB-CE2 3.98Å; C21-F168 HydrophobicContact CB-CG 3.49Å; C21-F168 VanDerWaalsContact CB-CG 3.49Å; C21-F168 HydrophobicContact CB-CZ 3.57Å; C21-F168 WeakPolarHBondContact SG-CD1 3.25Å; C21-F168 WeakPolarHBondContact SG-CE1 3.5Å; V28-F168 HydrophobicContact CG2-CD2 4.01Å; V28-F168 HydrophobicContact CG2-CE2 3.75Å; V28-F168 HydrophobicContact CG2-CZ 4.5Å; I31-F168 HydrophobicContact CD1-CE1 4.32Å; I31-F168 HydrophobicContact CD1-CE2 3.99Å; I31-F168 HydrophobicContact CD1-CZ 3.52Å; I151-F168 CarbonylContact O-C 2.98Å; I151-F168 WeakPolarHBondContact O-CA 3.45Å; I151-F168 WeakPolarHBondContact O-CB 3.35Å; L152-F168 HydrophobicContact CD2-CD1 3.68Å; L152-F168 HydrophobicContact CD2-CE1 3.38Å; L152-F168 HydrophobicContact CG-CD1 4.3Å; L152-F168 HydrophobicContact CG-CE1 4.3Å; P166-F168 HydrophobicContact CB-CD1 4.33Å; P166-F168 HydrophobicContact CB-CE1 3.51Å; P166-F168 HydrophobicContact CB-CE2 4.47Å; P166-F168 HydrophobicContact CB-CZ 3.63Å; P166-F168 HydrophobicContact CG-CE1 3.8Å; P166-F168 HydrophobicContact CG-CE2 4.16Å; P166-F168 HydrophobicContact CG-CZ 3.37Å
169L89.8Confident84.8Confident51 Ų5142.6 Ų42.627%0.26720%0.197SC..EExtended strand (participates in β ladder)trans-129.6133.3-172.3-61.7-179.2000112.8L150 I151 F153 V171 H299L150-L169 WeakPolarHBondContact CA-O 3.4Å; L150-L169 VanDerWaalsContact CB-O 3.24Å; L150-L169 WeakPolarHBondContact CB-O 3.31Å; I151-L169 HydrophobicContact CG1-CB 4.05Å; I151-L169 PolarHBondContact N-O 3.06Å; I151-L169 PolarHBondContact O-N 2.99Å; F153-L169 HydrophobicContact CB-CG 4.22Å; F153-L169 HydrophobicContact CD2-CD1 3.71Å; F153-L169 HydrophobicContact CD2-CD2 4.47Å; F153-L169 HydrophobicContact CD2-CG 4.17Å; F153-L169 HydrophobicContact CE2-CD1 4.47Å; L169-V171 HydrophobicContact CB-CG1 4.38Å; L169-H299 WeakPolarHBondContact CD1-NE2 3.24Å
170D92.6Very high86.3Confident98 Ų9836.9 Ų36.952%0.52417%0.171SC..EExtended strand (participates in β ladder)trans-70.3139.5165.2-153.7-42.6000110.2K25 L150K25-D170 WeakPolarHBondContact CE-OD2 3.33Å; K25-D170 VanDerWaalsContact NZ-CG 3.29Å; K25-D170 IonicContact NZ-OD1 2.86Å; K25-D170 PolarHBondContact NZ-OD1 3.07Å; K25-D170 VanDerWaalsContact NZ-OD1 3.12Å; K25-D170 IonicContact NZ-OD2 3.84Å; K25-D170 PolarHBondContact NZ-OD2 2.75Å; L150-D170 HydrophobicContact CD2-CB 3.96Å
171V94.4Very high87.9Confident8 Ų836.6 Ų36.65%0.04817%0.169CC..EExtended strand (participates in β ladder)trans-145.7154.4-170.1-67.50000112.1I151 L169 Y175 L176I151-V171 HydrophobicContact CD1-CG1 3.55Å; I151-V171 HydrophobicContact CG1-CG1 3.63Å; I151-V171 HydrophobicContact CG1-CG2 4.39Å; I151-V171 HydrophobicContact CG2-CG2 3.88Å; L169-V171 HydrophobicContact CB-CG1 4.38Å; V171-Y175 HydrophobicContact CB-CD1 3.91Å; V171-Y175 HydrophobicContact CB-CG 4.11Å; V171-Y175 HydrophobicContact CG1-CD1 3.31Å; V171-Y175 HydrophobicContact CG1-CE1 3.75Å; V171-Y175 HydrophobicContact CG1-CG 3.83Å; V171-L176 HydrophobicContact CG2-CB 4.09Å
172D96.5Very high89.3Confident23 Ų2335.3 Ų35.312%0.12316%0.161CC..EExtended strand (participates in β ladder)trans-76.7169.917070.773.9000112.1M142 T145 Q174 Y175 L176 Y285M142-D172 WeakPolarHBondContact O-CB 3.49Å; T145-D172 CarbonylContact O-C 3.48Å; T145-D172 VanDerWaalsContact O-CA 3.24Å; T145-D172 WeakPolarHBondContact O-CA 3.45Å; D172-Q174 VanDerWaalsContact C-N 3.32Å; D172-Q174 PolarHBondContact O-N 3.46Å; D172-Q174 WeakPolarHBondContact OD1-CA 3.22Å; D172-Q174 VanDerWaalsContact OD1-CB 3.24Å; D172-Q174 WeakPolarHBondContact OD1-CB 3.39Å; D172-Q174 PolarHBondContact OD1-N 2.97Å; D172-Y175 PolarHBondContact O-N 2.68Å; D172-Y175 PolarHBondContact OD1-N 3.3Å; D172-L176 PolarHBondContact O-N 2.97Å; D172-Y285 PolarHBondContact OD2-OH 3.42Å
173V97.1Very high90.7Very high1 Ų135 Ų351%0.00616%0.159CC..Hα-helixtrans-57.9-42.5-179.3172.30000111.8M142 T145 T147 Y175 L176 F177 H225M142-V173 HydrophobicContact CB-CB 4.03Å; M142-V173 HydrophobicContact CB-CG1 4.15Å; M142-V173 HydrophobicContact CG-CB 4.15Å; M142-V173 HydrophobicContact CG-CG1 3.76Å; M142-V173 PolarHBondContact O-N 3.49Å; M142-V173 HydrophobicContact SD-CG1 3.85Å; T145-V173 HydrophobicContact CG2-CG2 3.77Å; T145-V173 PolarHBondContact O-N 3.17Å; T147-V173 HydrophobicContact CG2-CB 4.23Å; T147-V173 HydrophobicContact CG2-CG2 3.7Å; V173-Y175 PolarHBondContact O-N 3.11Å; V173-L176 PolarHBondContact O-N 3.26Å; V173-F177 HydrophobicContact CG1-CD2 3.84Å; V173-F177 HydrophobicContact CG1-CE2 3.97Å; V173-F177 VanDerWaalsContact O-CD2 3.25Å; V173-F177 WeakPolarHBondContact O-CD2 3.12Å; V173-F177 PolarHBondContact O-N 3.32Å; V173-H225 HydrophobicContact CG1-CB 4.17Å
174Q97.2Very high91.9Very high1 Ų133.4 Ų33.41%0.00515%0.151CC..Hα-helixtrans-64.1-45.4-178.4176.460.55700110.2M142 L143 D172 F177 S178 W282 Y285 P386M142-Q174 HydrophobicContact CB-CB 3.94Å; L143-Q174 HydrophobicContact CD2-CB 3.91Å; L143-Q174 HydrophobicContact CD2-CG 3.97Å; D172-Q174 VanDerWaalsContact C-N 3.32Å; D172-Q174 PolarHBondContact O-N 3.46Å; D172-Q174 WeakPolarHBondContact OD1-CA 3.22Å; D172-Q174 VanDerWaalsContact OD1-CB 3.24Å; D172-Q174 WeakPolarHBondContact OD1-CB 3.39Å; D172-Q174 PolarHBondContact OD1-N 2.97Å; Q174-F177 PolarHBondContact O-N 3.11Å; Q174-S178 PolarHBondContact NE2-OG 3.35Å; Q174-S178 VanDerWaalsContact NE2-OG 3.09Å; Q174-S178 PolarHBondContact O-N 2.92Å; Q174-S178 PolarHBondContact O-OG 2.83Å; Q174-W282 HydrophobicContact CG-CZ3 4.47Å; Q174-Y285 HydrophobicContact CB-CE2 4.32Å; Q174-Y285 HydrophobicContact CG-CD2 4.22Å; Q174-Y285 HydrophobicContact CG-CE2 3.93Å; Q174-P386 PolarHBondContact NE2-O 3.47Å
175Y96.2Very high92.9Very high16 Ų1625.3 Ų25.36%0.06312%0.12CC..Hα-helixtrans-67.5-38.8-178.5-166.8-177.4000112.1I151 V171 D172 V173 F177 S178 F179 Y285 H299 F305I151-Y175 HydrophobicContact CD1-CD1 4.48Å; I151-Y175 HydrophobicContact CD1-CD2 4.16Å; I151-Y175 HydrophobicContact CD1-CE1 4.13Å; I151-Y175 HydrophobicContact CD1-CE2 3.78Å; V171-Y175 HydrophobicContact CB-CD1 3.91Å; V171-Y175 HydrophobicContact CB-CG 4.11Å; V171-Y175 HydrophobicContact CG1-CD1 3.31Å; V171-Y175 HydrophobicContact CG1-CE1 3.75Å; V171-Y175 HydrophobicContact CG1-CG 3.83Å; D172-Y175 PolarHBondContact O-N 2.68Å; D172-Y175 PolarHBondContact OD1-N 3.3Å; V173-Y175 PolarHBondContact O-N 3.11Å; Y175-F177 PolarHBondContact O-N 2.99Å; Y175-S178 PolarHBondContact O-N 2.68Å; Y175-F179 VanDerWaalsContact O-CB 3.3Å; Y175-F179 WeakPolarHBondContact O-CB 3.35Å; Y175-F179 PolarHBondContact O-N 3.13Å; Y175-Y285 VanDerWaalsContact CB-CE2 3.49Å; Y175-Y285 AromaticContact CD1-CD1 3.76Å; Y175-Y285 HydrophobicContact CD1-CD1 3.76Å; Y175-Y285 AromaticContact CD1-CE1 3.6Å; Y175-Y285 HydrophobicContact CD1-CE1 3.6Å; Y175-Y285 HydrophobicContact CD1-CG 4.35Å; Y175-Y285 VanDerWaalsContact CD2-CB 3.49Å; Y175-Y285 AromaticContact CD2-CD1 3.48Å; Y175-Y285 HydrophobicContact CD2-CD1 3.48Å; Y175-Y285 VanDerWaalsContact CD2-CD1 3.48Å; Y175-Y285 AromaticContact CD2-CD2 3.84Å; Y175-Y285 HydrophobicContact CD2-CD2 3.84Å; Y175-Y285 HydrophobicContact CD2-CE1 4.1Å; Y175-Y285 HydrophobicContact CD2-CE2 4.38Å; Y175-Y285 AromaticContact CD2-CG 3.32Å; Y175-Y285 HydrophobicContact CD2-CG 3.32Å; Y175-Y285 AromaticContact CE1-CD1 3.89Å; Y175-Y285 HydrophobicContact CE1-CD1 3.89Å; Y175-Y285 AromaticContact CE1-CE1 3.98Å; Y175-Y285 HydrophobicContact CE1-CE1 3.98Å; Y175-Y285 AromaticContact CE2-CD1 3.61Å; Y175-Y285 HydrophobicContact CE2-CD1 3.61Å; Y175-Y285 HydrophobicContact CE2-CE1 4.43Å; Y175-Y285 AromaticContact CE2-CG 3.73Å; Y175-Y285 HydrophobicContact CE2-CG 3.73Å; Y175-Y285 AromaticContact CG-CD1 3.57Å; Y175-Y285 HydrophobicContact CG-CD1 3.57Å; Y175-Y285 AromaticContact CG-CD2 3.91Å; Y175-Y285 HydrophobicContact CG-CD2 3.91Å; Y175-Y285 AromaticContact CG-CE1 3.67Å; Y175-Y285 HydrophobicContact CG-CE1 3.67Å; Y175-Y285 AromaticContact CG-CE2 3.97Å; Y175-Y285 HydrophobicContact CG-CE2 3.97Å; Y175-Y285 AromaticContact CG-CG 3.69Å; Y175-Y285 HydrophobicContact CG-CG 3.69Å; Y175-Y285 AromaticContact CG-CZ 3.84Å; Y175-Y285 AromaticContact CZ-CD1 3.8Å; Y175-H299 AromaticContact CZ-NE2 3.73Å; Y175-H299 PolarHBondContact OH-CD2 3.19Å; Y175-H299 PolarHBondContact OH-NE2 3.19Å; Y175-F305 HydrophobicContact CE1-CE2 4.45Å; Y175-F305 WeakPolarHBondContact OH-CE2 3.39Å; Y175-F305 WeakPolarHBondContact OH-CZ 3.26Å
176L96.7Very high93.4Very high0 Ų018 Ų180%09%0.088CC..Hα-helixtrans-54.1-50.8172.6175.864.8000111.8L22 T147 Y149 I151 V171 D172 V173 F179 I180L22-L176 HydrophobicContact CD1-CD1 4.35Å; T147-L176 HydrophobicContact CG2-CB 4.14Å; T147-L176 HydrophobicContact CG2-CD2 3.9Å; Y149-L176 HydrophobicContact CD2-CD2 4.03Å; Y149-L176 HydrophobicContact CG-CD2 4.25Å; I151-L176 HydrophobicContact CG2-CD1 4.01Å; V171-L176 HydrophobicContact CG2-CB 4.09Å; D172-L176 PolarHBondContact O-N 2.97Å; V173-L176 PolarHBondContact O-N 3.26Å; L176-F179 PolarHBondContact O-N 3.07Å; L176-I180 HydrophobicContact CD1-CD1 3.77Å; L176-I180 HydrophobicContact CD1-CG1 4.15Å; L176-I180 HydrophobicContact CD2-CD1 4.5Å; L176-I180 HydrophobicContact CG-CD1 3.82Å; L176-I180 WeakPolarHBondContact O-CG1 3.37Å; L176-I180 PolarHBondContact O-N 2.9Å
177F97.5Very high93.7Very high0 Ų017.5 Ų17.50%09%0.085CC..Hα-helixtrans-69.5-40.3-176.3-81.6-77000112V173 Q174 Y175 F179 I180 H181 Y218 F221 W222 H225V173-F177 HydrophobicContact CG1-CD2 3.84Å; V173-F177 HydrophobicContact CG1-CE2 3.97Å; V173-F177 VanDerWaalsContact O-CD2 3.25Å; V173-F177 WeakPolarHBondContact O-CD2 3.12Å; V173-F177 PolarHBondContact O-N 3.32Å; Q174-F177 PolarHBondContact O-N 3.11Å; Y175-F177 PolarHBondContact O-N 2.99Å; F177-F179 VanDerWaalsContact C-N 3.31Å; F177-F179 PolarHBondContact O-N 2.88Å; F177-I180 PolarHBondContact O-N 2.74Å; F177-H181 PolarHBondContact O-N 2.92Å; F177-Y218 HydrophobicContact CB-CE2 4.42Å; F177-Y218 HydrophobicContact CD1-CD2 4.14Å; F177-Y218 AromaticContact CD1-CE2 3.6Å; F177-Y218 HydrophobicContact CD1-CE2 3.6Å; F177-Y218 AromaticContact CD1-CZ 3.85Å; F177-Y218 HydrophobicContact CE1-CE2 4.41Å; F177-Y218 PolarHBondContact O-OH 3.01Å; F177-F221 HydrophobicContact CE1-CB 4.26Å; F177-F221 AromaticContact CE1-CD1 3.58Å; F177-F221 HydrophobicContact CE1-CD1 3.58Å; F177-F221 HydrophobicContact CE1-CE1 4.16Å; F177-F221 HydrophobicContact CE1-CG 4.06Å; F177-F221 HydrophobicContact CZ-CB 4.46Å; F177-F221 AromaticContact CZ-CD1 3.69Å; F177-F221 HydrophobicContact CZ-CD1 3.69Å; F177-F221 AromaticContact CZ-CE1 3.98Å; F177-F221 HydrophobicContact CZ-CE1 3.98Å; F177-F221 AromaticContact CZ-CG 3.98Å; F177-F221 HydrophobicContact CZ-CG 3.98Å; F177-F221 HydrophobicContact CZ-CZ 4.5Å; F177-W222 HydrophobicContact CB-CD2 3.82Å; F177-W222 HydrophobicContact CB-CE3 3.9Å; F177-W222 HydrophobicContact CB-CH2 3.74Å; F177-W222 HydrophobicContact CB-CZ2 3.64Å; F177-W222 HydrophobicContact CB-CZ3 3.88Å; F177-W222 HydrophobicContact CD1-CB 3.77Å; F177-W222 AromaticContact CD1-CD2 3.58Å; F177-W222 HydrophobicContact CD1-CD2 3.58Å; F177-W222 AromaticContact CD1-CE3 3.74Å; F177-W222 HydrophobicContact CD1-CE3 3.74Å; F177-W222 AromaticContact CD1-CG 3.63Å; F177-W222 HydrophobicContact CD1-CG 3.63Å; F177-W222 HydrophobicContact CD1-CZ3 4.49Å; F177-W222 HydrophobicContact CD2-CB 4.49Å; F177-W222 AromaticContact CD2-CD1 3.55Å; F177-W222 AromaticContact CD2-CD2 3.92Å; F177-W222 HydrophobicContact CD2-CD2 3.92Å; F177-W222 AromaticContact CD2-CE2 3.79Å; F177-W222 AromaticContact CD2-CG 3.79Å; F177-W222 HydrophobicContact CD2-CG 3.79Å; F177-W222 AromaticContact CD2-NE1 3.56Å; F177-W222 VanDerWaalsContact CE1-CA 3.41Å; F177-W222 HydrophobicContact CE1-CB 3.46Å; F177-W222 VanDerWaalsContact CE1-CB 3.46Å; F177-W222 HydrophobicContact CE1-CD2 4.21Å; F177-W222 AromaticContact CE1-CG 3.76Å; F177-W222 HydrophobicContact CE1-CG 3.76Å; F177-W222 HydrophobicContact CE2-CB 4.25Å; F177-W222 AromaticContact CE2-CD1 3.67Å; F177-W222 AromaticContact CE2-CG 3.93Å; F177-W222 HydrophobicContact CE2-CG 3.93Å; F177-W222 HydrophobicContact CG-CB 4.32Å; F177-W222 AromaticContact CG-CD1 3.92Å; F177-W222 AromaticContact CG-CD2 3.46Å; F177-W222 HydrophobicContact CG-CD2 3.46Å; F177-W222 VanDerWaalsContact CG-CD2 3.46Å; F177-W222 AromaticContact CG-CE2 3.6Å; F177-W222 AromaticContact CG-CE3 3.87Å; F177-W222 HydrophobicContact CG-CE3 3.87Å; F177-W222 AromaticContact CG-CG 3.7Å; F177-W222 HydrophobicContact CG-CG 3.7Å; F177-W222 HydrophobicContact CG-CH2 4.47Å; F177-W222 HydrophobicContact CG-CZ2 4.12Å; F177-W222 HydrophobicContact CG-CZ3 4.36Å; F177-W222 AromaticContact CG-NE1 3.87Å; F177-W222 HydrophobicContact CZ-CB 3.78Å; F177-W222 AromaticContact CZ-CG 3.96Å; F177-W222 HydrophobicContact CZ-CG 3.96Å; F177-H225 HydrophobicContact CE2-CB 4.14Å; F177-H225 AromaticContact CZ-CD2 3.9Å
178S96.6Very high93.9Very high1 Ų111.4 Ų11.41%0.0076%0.059CC..Hα-helixtrans-58.8-43.1172-61.40000111.8Q174 Y175 R182 N387Q174-S178 PolarHBondContact NE2-OG 3.35Å; Q174-S178 VanDerWaalsContact NE2-OG 3.09Å; Q174-S178 PolarHBondContact O-N 2.92Å; Q174-S178 PolarHBondContact O-OG 2.83Å; Y175-S178 PolarHBondContact O-N 2.68Å; S178-R182 PolarHBondContact O-N 2.91Å; S178-N387 WeakPolarHBondContact CB-OD1 3.1Å; S178-N387 VanDerWaalsContact OG-CG 3.24Å; S178-N387 PolarHBondContact OG-OD1 2.91Å
179F95.8Very high93.9Very high0 Ų011.8 Ų11.80%06%0.062CC..Hα-helixtrans-65.8-47.5178.8179.8-89.1000112.6L22 I151 L152 E154 Y175 L176 F177 H181 R182 Y183 C298 H299L22-F179 HydrophobicContact CB-CE1 4.44Å; L22-F179 HydrophobicContact CD2-CE1 4.5Å; I151-F179 HydrophobicContact CB-CB 4.37Å; I151-F179 HydrophobicContact CB-CD1 3.63Å; I151-F179 HydrophobicContact CB-CD2 3.96Å; I151-F179 HydrophobicContact CB-CE1 3.9Å; I151-F179 HydrophobicContact CB-CE2 4.2Å; I151-F179 HydrophobicContact CB-CG 3.69Å; I151-F179 HydrophobicContact CB-CZ 4.2Å; I151-F179 HydrophobicContact CD1-CB 4.06Å; I151-F179 HydrophobicContact CD1-CD2 3.67Å; I151-F179 HydrophobicContact CD1-CE2 4.36Å; I151-F179 HydrophobicContact CD1-CG 3.87Å; I151-F179 HydrophobicContact CG1-CD2 4.33Å; I151-F179 HydrophobicContact CG1-CG 4.38Å; I151-F179 HydrophobicContact CG2-CB 3.77Å; I151-F179 HydrophobicContact CG2-CD1 3.4Å; I151-F179 VanDerWaalsContact CG2-CD1 3.4Å; I151-F179 HydrophobicContact CG2-CD2 4.3Å; I151-F179 HydrophobicContact CG2-CE1 4.12Å; I151-F179 HydrophobicContact CG2-CG 3.53Å; L152-F179 HydrophobicContact CB-CZ 3.87Å; L152-F179 VanDerWaalsContact O-CE2 3.3Å; L152-F179 WeakPolarHBondContact O-CE2 3.43Å; E154-F179 HydrophobicContact CG-CE2 4.44Å; E154-F179 HydrophobicContact CG-CZ 4.45Å; Y175-F179 VanDerWaalsContact O-CB 3.3Å; Y175-F179 WeakPolarHBondContact O-CB 3.35Å; Y175-F179 PolarHBondContact O-N 3.13Å; L176-F179 PolarHBondContact O-N 3.07Å; F177-F179 VanDerWaalsContact C-N 3.31Å; F177-F179 PolarHBondContact O-N 2.88Å; F179-H181 VanDerWaalsContact C-N 3.28Å; F179-H181 PolarHBondContact O-N 2.55Å; F179-R182 CarbonylContact O-C 3.17Å; F179-R182 PolarHBondContact O-N 3.4Å; F179-Y183 AromaticContact CE1-CD2 3.99Å; F179-Y183 HydrophobicContact CE1-CD2 3.99Å; F179-Y183 HydrophobicContact CE1-CG 4.03Å; F179-Y183 AromaticContact CZ-CD2 3.83Å; F179-Y183 HydrophobicContact CZ-CD2 3.83Å; F179-Y183 HydrophobicContact CZ-CG 4.27Å; F179-Y183 VanDerWaalsContact O-CB 3.27Å; F179-Y183 WeakPolarHBondContact O-CB 3.2Å; F179-Y183 PolarHBondContact O-N 2.78Å; F179-C298 HydrophobicContact CD2-CB 3.81Å; F179-C298 HydrophobicContact CE2-CB 4.06Å; F179-H299 AromaticContact CE2-CE1 3.95Å
180I96.2Very high93.5Very high1 Ų110.6 Ų10.61%0.0056%0.055CC..Hα-helixtrans-56.4-44.6-178.1-74.2168.8000111.4L22 L176 F177 Y183 A184 W214 Y218 F221 F434L22-I180 HydrophobicContact CD1-CD1 4.07Å; L22-I180 HydrophobicContact CD1-CG1 3.53Å; L176-I180 HydrophobicContact CD1-CD1 3.77Å; L176-I180 HydrophobicContact CD1-CG1 4.15Å; L176-I180 HydrophobicContact CD2-CD1 4.5Å; L176-I180 HydrophobicContact CG-CD1 3.82Å; L176-I180 WeakPolarHBondContact O-CG1 3.37Å; L176-I180 PolarHBondContact O-N 2.9Å; F177-I180 PolarHBondContact O-N 2.74Å; I180-Y183 PolarHBondContact O-N 3.24Å; I180-A184 PolarHBondContact O-N 2.85Å; I180-A184 VanDerWaalsContact O-N 3.09Å; I180-W214 HydrophobicContact CG2-CH2 3.97Å; I180-W214 HydrophobicContact CG2-CZ2 3.84Å; I180-Y218 HydrophobicContact CB-CE2 4.2Å; I180-Y218 HydrophobicContact CG2-CD2 4.03Å; I180-Y218 HydrophobicContact CG2-CE2 3.97Å; I180-F221 HydrophobicContact CD1-CD1 4.33Å; I180-F221 HydrophobicContact CD1-CE1 3.78Å; I180-F434 HydrophobicContact CG2-CD1 4.39Å; I180-F434 HydrophobicContact CG2-CE1 3.83Å; I180-F434 HydrophobicContact CG2-CZ 4.17Å
181H97.2Very high92.8Very high0 Ų012.2 Ų12.20%06%0.059CC..Hα-helixtrans-66.8-43.9179.6-175.1-84.4000111.8F177 F179 Y183 A184 S185 N205 H206 W214 H215 Y218 A382 P386 F391F177-H181 PolarHBondContact O-N 2.92Å; F179-H181 VanDerWaalsContact C-N 3.28Å; F179-H181 PolarHBondContact O-N 2.55Å; H181-Y183 PolarHBondContact O-N 3.18Å; H181-A184 PolarHBondContact O-N 3.09Å; H181-S185 PolarHBondContact O-N 2.87Å; H181-S185 VanDerWaalsContact O-N 3.1Å; H181-S185 PolarHBondContact O-OG 3.07Å; H181-S185 VanDerWaalsContact O-OG 3.09Å; H181-N205 PolarHBondContact O-ND2 3.01Å; H181-H206 AromaticContact CE1-CE1 3.2Å; H181-H206 PolarHBondContact CE1-CE1 3.42Å; H181-H206 AromaticContact CE1-NE2 3.35Å; H181-H206 PolarHBondContact CE1-NE2 2.97Å; H181-H206 VanDerWaalsContact CE1-NE2 3.35Å; H181-H206 AromaticContact NE2-CE1 3.24Å; H181-H206 PolarHBondContact NE2-CE1 3.27Å; H181-H206 AromaticContact NE2-NE2 3.1Å; H181-H206 PolarHBondContact NE2-NE2 3.41Å; H181-H206 VanDerWaalsContact NE2-NE2 3.1Å; H181-W214 HydrophobicContact CB-CH2 4.09Å; H181-W214 AromaticContact CD2-CZ3 3.7Å; H181-H215 AromaticContact CD2-NE2 3.54Å; H181-H215 AromaticContact NE2-NE2 3.14Å; H181-H215 PolarHBondContact NE2-NE2 3.26Å; H181-H215 VanDerWaalsContact NE2-NE2 3.14Å; H181-Y218 HydrophobicContact CB-CE2 4.11Å; H181-A382 PolarHBondContact CE1-O 3.46Å; H181-A382 PolarHBondContact ND1-O 3.33Å; H181-P386 HydrophobicContact CB-CG 3.57Å; H181-P386 WeakPolarHBondContact ND1-CG 3.16Å; H181-F391 AromaticContact CD2-CZ 3.82Å; H181-F391 AromaticContact NE2-CE2 3.9Å; H181-F391 AromaticContact NE2-CZ 3.85Å
182R94.5Very high92Very high9 Ų915.4 Ų15.43%0.0348%0.076CC..Hα-helixtrans-62.9-40.5173.1176.258.5-176169-0.7112.4S178 F179 A184 S185 R186 C286 Y296 C298S178-R182 PolarHBondContact O-N 2.91Å; F179-R182 CarbonylContact O-C 3.17Å; F179-R182 PolarHBondContact O-N 3.4Å; R182-A184 VanDerWaalsContact C-N 3.34Å; R182-A184 PolarHBondContact O-N 2.98Å; R182-S185 WeakPolarHBondContact CA-OG 3.32Å; R182-S185 CarbonylContact O-C 3.34Å; R182-S185 PolarHBondContact O-N 3.49Å; R182-S185 PolarHBondContact O-OG 2.91Å; R182-R186 VanDerWaalsContact O-CB 3.28Å; R182-R186 WeakPolarHBondContact O-CB 3.45Å; R182-R186 PolarHBondContact O-N 3.37Å; R182-C286 HydrophobicContact CB-CB 4.07Å; R182-C286 HydrophobicContact CG-CB 3.96Å; R182-Y296 VanDerWaalsContact NH2-CZ 3.31Å; R182-Y296 PolarHBondContact NH2-O 2.81Å; R182-C298 HydrophobicContact CG-CB 4.13Å
183Y94.2Very high91.2Very high1 Ų119 Ų190%0.00410%0.095CC..Hα-helixtrans-64.6-39.9-178.4179.5-96.2000111.3L22 D77 R78 W81 L152 E154 F179 I180 H181 V432L22-Y183 HydrophobicContact CD2-CD1 3.96Å; L22-Y183 HydrophobicContact CD2-CE1 4.01Å; L22-Y183 HydrophobicContact CD2-CG 4.46Å; D77-Y183 VanDerWaalsContact CG-OH 3.28Å; D77-Y183 VanDerWaalsContact OD2-CE2 3.29Å; D77-Y183 WeakPolarHBondContact OD2-CE2 3.2Å; D77-Y183 VanDerWaalsContact OD2-CZ 3.28Å; D77-Y183 PolarHBondContact OD2-OH 3.05Å; R78-Y183 VanDerWaalsContact CD-O 3.24Å; R78-Y183 WeakPolarHBondContact CD-O 3.44Å; R78-Y183 HydrophobicContact CG-CE1 3.79Å; R78-Y183 HydrophobicContact CG-CE2 4.5Å; R78-Y183 PolarHBondContact NH1-O 2.92Å; R78-Y183 VanDerWaalsContact NH1-O 3.16Å; W81-Y183 HydrophobicContact CE3-CE1 4.44Å; W81-Y183 HydrophobicContact CH2-CE1 4.04Å; W81-Y183 AromaticContact CZ3-CE1 3.74Å; W81-Y183 HydrophobicContact CZ3-CE1 3.74Å; W81-Y183 WeakPolarHBondContact CZ3-OH 3.2Å; L152-Y183 HydrophobicContact CD1-CD2 4.33Å; L152-Y183 HydrophobicContact CD1-CE2 3.59Å; E154-Y183 WeakPolarHBondContact OE1-CE2 3.46Å; F179-Y183 AromaticContact CE1-CD2 3.99Å; F179-Y183 HydrophobicContact CE1-CD2 3.99Å; F179-Y183 HydrophobicContact CE1-CG 4.03Å; F179-Y183 AromaticContact CZ-CD2 3.83Å; F179-Y183 HydrophobicContact CZ-CD2 3.83Å; F179-Y183 HydrophobicContact CZ-CG 4.27Å; F179-Y183 VanDerWaalsContact O-CB 3.27Å; F179-Y183 WeakPolarHBondContact O-CB 3.2Å; F179-Y183 PolarHBondContact O-N 2.78Å; I180-Y183 PolarHBondContact O-N 3.24Å; H181-Y183 PolarHBondContact O-N 3.18Å; Y183-V432 HydrophobicContact CD1-CG1 4.3Å; Y183-V432 HydrophobicContact CE1-CG1 4.04Å
184A95.1Very high90.5Very high0 Ų024.1 Ų24.10%012%0.121CC..Hα-helixtrans-69-32.9173.200000112.9R78 I180 H181 R182 N204 N205 W214R78-A184 PolarHBondContact NH1-O 3.14Å; I180-A184 PolarHBondContact O-N 2.85Å; I180-A184 VanDerWaalsContact O-N 3.09Å; H181-A184 PolarHBondContact O-N 3.09Å; R182-A184 VanDerWaalsContact C-N 3.34Å; R182-A184 PolarHBondContact O-N 2.98Å; A184-N204 WeakPolarHBondContact O-CB 3.24Å; A184-N204 PolarHBondContact O-N 3.5Å; A184-N205 HydrophobicContact CB-CB 4.12Å; A184-W214 HydrophobicContact CB-CH2 4.43Å; A184-W214 HydrophobicContact CB-CZ2 3.51Å
185S93.4Very high89.8Confident1 Ų126.5 Ų26.51%0.00713%0.134CC..Hα-helixtrans-95.1-11.8-176.766.20000115.4H181 R182 H201 D203 N205H181-S185 PolarHBondContact O-N 2.87Å; H181-S185 VanDerWaalsContact O-N 3.1Å; H181-S185 PolarHBondContact O-OG 3.07Å; H181-S185 VanDerWaalsContact O-OG 3.09Å; R182-S185 WeakPolarHBondContact CA-OG 3.32Å; R182-S185 CarbonylContact O-C 3.34Å; R182-S185 PolarHBondContact O-N 3.49Å; R182-S185 PolarHBondContact O-OG 2.91Å; S185-H201 PolarHBondContact O-CE1 2.87Å; S185-D203 WeakPolarHBondContact CB-OD2 3.24Å; S185-N205 WeakPolarHBondContact CA-OD1 3.11Å; S185-N205 WeakPolarHBondContact CB-OD1 3.38Å; S185-N205 PolarHBondContact N-OD1 3.15Å
186R89.8Confident89.2Confident1 Ų126.2 Ų26.20%0.00413%0.134CC..SBendtrans-68.6152.2-171.965.1169.4177.162.5-1.6112.9D77 R78 E154 R182 S297D77-R186 IonicContact OD1-CZ 2.72Å; D77-R186 IonicContact OD1-NH1 3.45Å; D77-R186 IonicContact OD1-NH2 3.17Å; D77-R186 PolarHBondContact OD1-NH2 2.81Å; D77-R186 IonicContact OD2-NH2 2.8Å; D77-R186 PolarHBondContact OD2-NH2 2.64Å; R78-R186 PolarHBondContact NH1-O 3.39Å; R78-R186 PolarHBondContact NH2-O 3.38Å; E154-R186 IonicContact OE1-CZ 3.69Å; E154-R186 IonicContact OE1-NE 3.54Å; E154-R186 PolarHBondContact OE1-NE 3.32Å; E154-R186 VanDerWaalsContact OE1-NE 3.16Å; E154-R186 IonicContact OE1-NH2 3.18Å; E154-R186 PolarHBondContact OE1-NH2 3.13Å; E154-R186 WeakPolarHBondContact OE2-CD 3.23Å; E154-R186 IonicContact OE2-CZ 3.12Å; E154-R186 IonicContact OE2-NE 3.36Å; E154-R186 PolarHBondContact OE2-NE 2.78Å; E154-R186 IonicContact OE2-NH2 2.68Å; R182-R186 VanDerWaalsContact O-CB 3.28Å; R182-R186 WeakPolarHBondContact O-CB 3.45Å; R182-R186 PolarHBondContact O-N 3.37Å; R186-S297 WeakPolarHBondContact CD-OG 3.32Å
187A87.1Confident88.5Confident4 Ų432.7 Ų32.73%0.03317%0.167CC..PPolyproline II helixtrans-55.7156.7165.600000111.6L189 H201 C295A187-L189 PolarHBondContact O-N 2.77Å; A187-H201 WeakPolarHBondContact CB-CD2 3.48Å; A187-H201 PolarHBondContact N-NE2 2.88Å; A187-H201 VanDerWaalsContact N-NE2 3.17Å; A187-C295 HydrophobicContact CB-CB 4.45Å
188T88.2Confident87.8Confident8 Ų838.6 Ų38.65%0.04920%0.198CC..PPolyproline II helixtrans-61.7133.5163.6-58.50000109.1L73 D76 F190 C295L73-T188 HydrophobicContact CD2-CG2 4.29Å; L73-T188 VanDerWaalsContact CD2-OG1 3.31Å; L73-T188 WeakPolarHBondContact CD2-OG1 3.41Å; D76-T188 HydrophobicContact CB-CG2 3.89Å; D76-T188 VanDerWaalsContact OD2-CA 3.32Å; D76-T188 WeakPolarHBondContact OD2-CA 3.4Å; D76-T188 WeakPolarHBondContact OD2-CB 3.46Å; D76-T188 WeakPolarHBondContact OD2-CG2 3.36Å; D76-T188 PolarHBondContact OD2-OG1 2.93Å; T188-F190 HydrophobicContact CG2-CD1 4.13Å; T188-F190 HydrophobicContact CG2-CD2 4.17Å; T188-F190 HydrophobicContact CG2-CE1 3.76Å; T188-F190 HydrophobicContact CG2-CE2 3.82Å; T188-F190 HydrophobicContact CG2-CG 4.31Å; T188-F190 HydrophobicContact CG2-CZ 3.57Å; T188-F190 WeakPolarHBondContact O-CD2 3.24Å; T188-F190 PolarHBondContact O-N 3.36Å; T188-C295 WeakPolarHBondContact O-CB 3.37Å; T188-C295 PolarHBondContact O-SG 2.99Å
189L85.8Confident87.1Confident23 Ų2343 Ų4312%0.1221%0.214CC..  trans-8169-177.2-58.5-178.1000110.6A157 A187 H191A157-L189 HydrophobicContact CB-CB 4.05Å; A157-L189 WeakPolarHBondContact CB-O 3.45Å; A187-L189 PolarHBondContact O-N 2.77Å; L189-H191 PolarHBondContact O-N 3.08Å
190F82.5Confident85.9Confident27 Ų2753.5 Ų53.512%0.11825%0.254CS..  trans-63.8133.8174.3-63.5-70.9000110.6Y72 L73 A157 T188 D192 D195 C196 R199Y72-F190 HydrophobicContact CD2-CE1 4.33Å; Y72-F190 AromaticContact CD2-CZ 3.94Å; Y72-F190 HydrophobicContact CD2-CZ 3.94Å; Y72-F190 WeakPolarHBondContact O-CE1 2.98Å; L73-F190 HydrophobicContact CD2-CZ 4.2Å; A157-F190 WeakPolarHBondContact CB-O 3.46Å; T188-F190 HydrophobicContact CG2-CD1 4.13Å; T188-F190 HydrophobicContact CG2-CD2 4.17Å; T188-F190 HydrophobicContact CG2-CE1 3.76Å; T188-F190 HydrophobicContact CG2-CE2 3.82Å; T188-F190 HydrophobicContact CG2-CG 4.31Å; T188-F190 HydrophobicContact CG2-CZ 3.57Å; T188-F190 WeakPolarHBondContact O-CD2 3.24Å; T188-F190 PolarHBondContact O-N 3.36Å; F190-D192 VanDerWaalsContact C-N 3.3Å; F190-D195 HydrophobicContact CB-CB 4.14Å; F190-D195 HydrophobicContact CD1-CB 4.01Å; F190-D195 HydrophobicContact CG-CB 3.98Å; F190-C196 HydrophobicContact CB-CB 4.41Å; F190-R199 HydrophobicContact CE1-CG 4.43Å; F190-R199 HydrophobicContact CE2-CB 3.7Å; F190-R199 HydrophobicContact CE2-CG 4.05Å; F190-R199 HydrophobicContact CZ-CB 3.89Å; F190-R199 HydrophobicContact CZ-CG 3.91Å
191H77.5Confident85.1Confident131 Ų13158.2 Ų58.261%0.60628%0.276SS*.SBendtrans-68.3-32.6172.1-65.2-70.6000112.1A157 L189A157-H191 PolarHBondContact O-CE1 2.82Å; A157-H191 PolarHBondContact O-ND1 3.43Å; L189-H191 PolarHBondContact O-N 3.08Å
192D77.3Confident84.6Confident75 Ų7559 Ų5940%0.40128%0.28SS..SBendtrans-91.5130.8-179.1177.275.1000111.4F190 I194 D195 C196F190-D192 VanDerWaalsContact C-N 3.3Å; D192-I194 VanDerWaalsContact C-N 3.31Å; D192-I194 PolarHBondContact O-N 2.73Å; D192-I194 VanDerWaalsContact OD2-CA 3.27Å; D192-I194 WeakPolarHBondContact OD2-CA 3.37Å; D192-I194 WeakPolarHBondContact OD2-CB 3.48Å; D192-I194 PolarHBondContact OD2-N 3.12Å; D192-D195 HydrophobicContact CB-CB 4.39Å; D192-D195 PolarHBondContact OD2-N 3.14Å; D192-C196 PolarHBondContact O-N 3.09Å
193N78.8Confident84.6Confident98 Ų9859.7 Ų59.752%0.52428%0.284SS..Hα-helixtrans-69.2-28.1-178.7-82.8-28000112.7C196 I197N193-C196 WeakPolarHBondContact O-CB 3.21Å; N193-C196 PolarHBondContact O-N 3.35Å; N193-I197 WeakPolarHBondContact O-CD1 3.34Å; N193-I197 VanDerWaalsContact O-CG1 3.23Å; N193-I197 WeakPolarHBondContact O-CG1 3.4Å; N193-I197 PolarHBondContact O-N 3.46Å
194I82.9Confident84.6Confident109 Ų10959.7 Ų59.756%0.55928%0.284SS*.Hα-helixtrans-70.2-48.3178.6-59.4172000109D192 C196 I197 I198D192-I194 VanDerWaalsContact C-N 3.31Å; D192-I194 PolarHBondContact O-N 2.73Å; D192-I194 VanDerWaalsContact OD2-CA 3.27Å; D192-I194 WeakPolarHBondContact OD2-CA 3.37Å; D192-I194 WeakPolarHBondContact OD2-CB 3.48Å; D192-I194 PolarHBondContact OD2-N 3.12Å; I194-C196 VanDerWaalsContact C-N 3.25Å; I194-C196 PolarHBondContact O-N 3.36Å; I194-I197 PolarHBondContact O-N 2.72Å; I194-I197 VanDerWaalsContact O-N 3.12Å; I194-I198 HydrophobicContact CG2-CD1 3.4Å; I194-I198 VanDerWaalsContact CG2-CD1 3.4Å; I194-I198 HydrophobicContact CG2-CG1 4.1Å; I194-I198 WeakPolarHBondContact O-CB 3.17Å; I194-I198 WeakPolarHBondContact O-CG1 3.48Å; I194-I198 PolarHBondContact O-N 3.11Å
195D83.5Confident84.7Confident51 Ų5159.7 Ų59.727%0.27328%0.284SS..Hα-helixtrans-58.4-41.2172.3-89.3-34.8000110.6F190 D192 I197 I198 R199F190-D195 HydrophobicContact CB-CB 4.14Å; F190-D195 HydrophobicContact CD1-CB 4.01Å; F190-D195 HydrophobicContact CG-CB 3.98Å; D192-D195 HydrophobicContact CB-CB 4.39Å; D192-D195 PolarHBondContact OD2-N 3.14Å; D195-I197 VanDerWaalsContact C-N 3.28Å; D195-I197 PolarHBondContact O-N 2.94Å; D195-I198 PolarHBondContact O-N 3.19Å; D195-R199 HydrophobicContact CB-CG 4.13Å; D195-R199 WeakPolarHBondContact O-CB 3.25Å; D195-R199 WeakPolarHBondContact O-CG 3.19Å; D195-R199 PolarHBondContact O-N 2.95Å; D195-R199 IonicContact OD1-CZ 2.76Å; D195-R199 VanDerWaalsContact OD1-CZ 3.31Å; D195-R199 IonicContact OD1-NE 3.37Å; D195-R199 PolarHBondContact OD1-NE 2.96Å; D195-R199 IonicContact OD1-NH2 3.98Å; D195-R199 PolarHBondContact OD1-NH2 2.91Å
196C81.7Confident84.8Confident11 Ų1160.4 Ų60.47%0.07429%0.287CS..Hα-helixtrans-56.7-40.3175.1-178.50000114F190 D192 N193 I194 C295F190-C196 HydrophobicContact CB-CB 4.41Å; D192-C196 PolarHBondContact O-N 3.09Å; N193-C196 WeakPolarHBondContact O-CB 3.21Å; N193-C196 PolarHBondContact O-N 3.35Å; I194-C196 VanDerWaalsContact C-N 3.25Å; I194-C196 PolarHBondContact O-N 3.36Å; C196-C295 WeakPolarHBondContact CA-SG 3.38Å; C196-C295 HydrophobicContact CB-CB 3.85Å; C196-C295 WeakPolarHBondContact CB-SG 3.45Å; C196-C295 WeakPolarHBondContact SG-CB 3.44Å; C196-C295 PolarHBondContact SG-N 2.89Å; C196-C295 CovalentContact SG-SG 2.02Å; C196-C295 PolarHBondContact SG-SG 2.92Å
197I82.2Confident85Confident136 Ų13667.1 Ų67.170%0.69732%0.319SS*.Hα-helixtrans-80.7-42-177.2-68.8164.3000111.5N193 I194 D195N193-I197 WeakPolarHBondContact O-CD1 3.34Å; N193-I197 VanDerWaalsContact O-CG1 3.23Å; N193-I197 WeakPolarHBondContact O-CG1 3.4Å; N193-I197 PolarHBondContact O-N 3.46Å; I194-I197 PolarHBondContact O-N 2.72Å; I194-I197 VanDerWaalsContact O-N 3.12Å; D195-I197 VanDerWaalsContact C-N 3.28Å; D195-I197 PolarHBondContact O-N 2.94Å
198I82.9Confident85.3Confident124 Ų12467.5 Ų67.564%0.63632%0.32SS*.Hα-helixtrans-84.2-33.2-171-64.3-177.6000111.6I194 D195I194-I198 HydrophobicContact CG2-CD1 3.4Å; I194-I198 VanDerWaalsContact CG2-CD1 3.4Å; I194-I198 HydrophobicContact CG2-CG1 4.1Å; I194-I198 WeakPolarHBondContact O-CB 3.17Å; I194-I198 WeakPolarHBondContact O-CG1 3.48Å; I194-I198 PolarHBondContact O-N 3.11Å; D195-I198 PolarHBondContact O-N 3.19Å
199R82.5Confident85.6Confident92 Ų9267.2 Ų67.235%0.34732%0.319SS..SBendtrans-78.2138.2-177.6-56.4-68.5-179162.62.2109.7Y72 F190 D195 H201Y72-R199 HydrophobicContact CD2-CB 4.41Å; Y72-R199 HydrophobicContact CD2-CG 4.13Å; Y72-R199 HydrophobicContact CE2-CB 4.37Å; Y72-R199 HydrophobicContact CE2-CG 4.5Å; Y72-R199 VanDerWaalsContact CG-NH1 3.31Å; F190-R199 HydrophobicContact CE1-CG 4.43Å; F190-R199 HydrophobicContact CE2-CB 3.7Å; F190-R199 HydrophobicContact CE2-CG 4.05Å; F190-R199 HydrophobicContact CZ-CB 3.89Å; F190-R199 HydrophobicContact CZ-CG 3.91Å; D195-R199 HydrophobicContact CB-CG 4.13Å; D195-R199 WeakPolarHBondContact O-CB 3.25Å; D195-R199 WeakPolarHBondContact O-CG 3.19Å; D195-R199 PolarHBondContact O-N 2.95Å; D195-R199 IonicContact OD1-CZ 2.76Å; D195-R199 VanDerWaalsContact OD1-CZ 3.31Å; D195-R199 IonicContact OD1-NE 3.37Å; D195-R199 PolarHBondContact OD1-NE 2.96Å; D195-R199 IonicContact OD1-NH2 3.98Å; D195-R199 PolarHBondContact OD1-NH2 2.91Å; R199-H201 PolarHBondContact O-N 3.07Å
200R70.8Confident86.2Confident222 Ų22266.1 Ų66.184%0.83831%0.313SS*.PPolyproline II helixtrans-61.5138176-71.1-172.4178.4-170.5-1.1110.5L202R200-L202 PolarHBondContact O-N 2.94Å
201H79.1Confident86.9Confident100 Ų10064.8 Ų64.846%0.46331%0.307SS..PPolyproline II helixtrans-60.4123.1174.8-167.5-95.4000110.2S185 A187 R199S185-H201 PolarHBondContact O-CE1 2.87Å; A187-H201 WeakPolarHBondContact CB-CD2 3.48Å; A187-H201 PolarHBondContact N-NE2 2.88Å; A187-H201 VanDerWaalsContact N-NE2 3.17Å; R199-H201 PolarHBondContact O-N 3.07Å
202L87.5Confident87.9Confident16 Ų1658.8 Ų58.88%0.08428%0.28CS..PPolyproline II helixtrans-79.6122.2170.6177.864.3000108.6M79 R200M79-L202 HydrophobicContact CE-CD1 4.31Å; M79-L202 HydrophobicContact CE-CD2 3.26Å; M79-L202 HydrophobicContact CE-CG 4.44Å; R200-L202 PolarHBondContact O-N 2.94Å
203D93.1Very high88.9Confident24 Ų2455.2 Ų55.213%0.12826%0.261CS..  trans-127.9126.5170.6-166.8-43.8000108.4S185 N205 H206 V208S185-D203 WeakPolarHBondContact CB-OD2 3.24Å; D203-N205 PolarHBondContact OD1-N 3.32Å; D203-N205 PolarHBondContact OD1-OD1 2.96Å; D203-H206 PolarHBondContact OD1-N 3.18Å; D203-H206 IonicContact OD1-ND1 3.14Å; D203-H206 PolarHBondContact OD1-ND1 3.38Å; D203-H206 IonicContact OD2-CG 2.73Å; D203-H206 IonicContact OD2-ND1 3.51Å; D203-H206 PolarHBondContact OD2-ND1 2.97Å; D203-V208 WeakPolarHBondContact O-CG1 3.33Å
204N95.3Very high89.9Confident1 Ų150.6 Ų50.61%0.00524%0.236CC..SBendtrans-1054.8-178.6-63118.8000113.4A184 L423 N425 V432A184-N204 WeakPolarHBondContact O-CB 3.24Å; A184-N204 PolarHBondContact O-N 3.5Å; N204-L423 PolarHBondContact ND2-O 2.79Å; N204-N425 PolarHBondContact O-OD1 3.2Å; N204-V432 HydrophobicContact CB-CB 3.87Å; N204-V432 HydrophobicContact CB-CG1 4.4Å; N204-V432 HydrophobicContact CB-CG2 3.88Å
205N96.8Very high90.6Very high0 Ų045.7 Ų45.70%021%0.211CC..SBendtrans-138.4-5.7179.662.6-15.2000116H181 A184 S185 D203 F211 W214 H215H181-N205 PolarHBondContact O-ND2 3.01Å; A184-N205 HydrophobicContact CB-CB 4.12Å; S185-N205 WeakPolarHBondContact CA-OD1 3.11Å; S185-N205 WeakPolarHBondContact CB-OD1 3.38Å; S185-N205 PolarHBondContact N-OD1 3.15Å; D203-N205 PolarHBondContact OD1-N 3.32Å; D203-N205 PolarHBondContact OD1-OD1 2.96Å; N205-F211 WeakPolarHBondContact O-CA 3.4Å; N205-F211 WeakPolarHBondContact O-CD2 3.45Å; N205-W214 HydrophobicContact CB-CB 4.22Å; N205-W214 HydrophobicContact CB-CD2 3.36Å; N205-W214 HydrophobicContact CB-CE3 3.6Å; N205-W214 HydrophobicContact CB-CG 3.62Å; N205-W214 HydrophobicContact CB-CZ2 4.35Å; N205-W214 HydrophobicContact CB-CZ3 4.23Å; N205-H215 PolarHBondContact O-CE1 2.87Å
206H96Very high91.3Very high16 Ų1643.3 Ų43.37%0.07420%0.198CC..SBendtrans-136.3158.1172.8-44.286.9000111.6H181 D203 V208 H215 E352H181-H206 AromaticContact CE1-CE1 3.2Å; H181-H206 PolarHBondContact CE1-CE1 3.42Å; H181-H206 AromaticContact CE1-NE2 3.35Å; H181-H206 PolarHBondContact CE1-NE2 2.97Å; H181-H206 VanDerWaalsContact CE1-NE2 3.35Å; H181-H206 AromaticContact NE2-CE1 3.24Å; H181-H206 PolarHBondContact NE2-CE1 3.27Å; H181-H206 AromaticContact NE2-NE2 3.1Å; H181-H206 PolarHBondContact NE2-NE2 3.41Å; H181-H206 VanDerWaalsContact NE2-NE2 3.1Å; D203-H206 PolarHBondContact OD1-N 3.18Å; D203-H206 IonicContact OD1-ND1 3.14Å; D203-H206 PolarHBondContact OD1-ND1 3.38Å; D203-H206 IonicContact OD2-CG 2.73Å; D203-H206 IonicContact OD2-ND1 3.51Å; D203-H206 PolarHBondContact OD2-ND1 2.97Å; H206-V208 WeakPolarHBondContact O-CG1 3.49Å; H206-V208 WeakPolarHBondContact O-CG2 3.47Å; H206-V208 PolarHBondContact O-N 3.23Å; H206-H215 AromaticContact CD2-CE1 3.68Å; H206-H215 AromaticContact NE2-CE1 3.35Å; H206-H215 PolarHBondContact NE2-CE1 2.87Å; H206-H215 AromaticContact NE2-NE2 3.47Å; H206-H215 PolarHBondContact NE2-NE2 3.28Å; H206-E352 WeakPolarHBondContact CA-OE1 3.35Å; H206-E352 WeakPolarHBondContact CB-OE1 3.03Å
207E92.8Very high92.1Very high142 Ų14243 Ų4366%0.66420%0.195SC*.SBendtrans55.722.7-176.3-66.8-173.7-130.200113.5E352 F354E207-E352 PolarHBondContact N-OE1 3.21Å; E207-F354 HydrophobicContact CB-CE2 4.43Å; E207-F354 HydrophobicContact CB-CZ 4.5Å; E207-F354 HydrophobicContact CG-CD1 4.21Å; E207-F354 HydrophobicContact CG-CD2 3.99Å; E207-F354 HydrophobicContact CG-CE1 3.56Å; E207-F354 HydrophobicContact CG-CE2 3.31Å; E207-F354 HydrophobicContact CG-CG 4.41Å; E207-F354 HydrophobicContact CG-CZ 3.08Å; E207-F354 WeakPolarHBondContact OE1-CE1 3.32Å; E207-F354 WeakPolarHBondContact OE1-CZ 3.32Å
208V94.2Very high92.9Very high11 Ų1136.5 Ų36.57%0.06716%0.162CC..SBendtrans-135.3156.5-175.6-66.40000110D203 H206 G210 F211 A422 N425D203-V208 WeakPolarHBondContact O-CG1 3.33Å; H206-V208 WeakPolarHBondContact O-CG1 3.49Å; H206-V208 WeakPolarHBondContact O-CG2 3.47Å; H206-V208 PolarHBondContact O-N 3.23Å; V208-G210 PolarHBondContact O-N 3.03Å; V208-F211 WeakPolarHBondContact O-CB 3.27Å; V208-F211 PolarHBondContact O-N 3.22Å; V208-F211 VanDerWaalsContact O-N 3.08Å; V208-A422 HydrophobicContact CB-CB 4.28Å; V208-A422 HydrophobicContact CG1-CB 3.46Å; V208-A422 VanDerWaalsContact CG1-CB 3.46Å; V208-N425 HydrophobicContact CB-CB 4.4Å; V208-N425 WeakPolarHBondContact CG2-OD1 3.38Å
209V95.4Very high93.7Very high2 Ų230.7 Ų30.71%0.01213%0.132CC..THydrogen-bonded Turntrans-55.9-25.9176.366.40000112.7F211 F332 Y333 Y416 P417 V421 N425V209-F211 VanDerWaalsContact C-N 3.3Å; V209-F211 PolarHBondContact O-N 3.02Å; V209-F332 HydrophobicContact CG2-CD1 4.09Å; V209-F332 HydrophobicContact CG2-CE1 3.47Å; V209-F332 VanDerWaalsContact CG2-CE1 3.47Å; V209-F332 HydrophobicContact CG2-CZ 4.34Å; V209-Y333 HydrophobicContact CB-CD2 3.64Å; V209-Y333 HydrophobicContact CB-CE2 4.06Å; V209-Y333 HydrophobicContact CB-CG 4.28Å; V209-Y333 HydrophobicContact CG2-CD2 3.63Å; V209-Y333 HydrophobicContact CG2-CE2 4.48Å; V209-Y333 HydrophobicContact CG2-CG 3.8Å; V209-Y416 HydrophobicContact CG1-CE1 4.12Å; V209-Y416 HydrophobicContact CG2-CE1 4.32Å; V209-Y416 HydrophobicContact CG2-CE2 4.17Å; V209-P417 HydrophobicContact CB-CG 4.49Å; V209-P417 HydrophobicContact CG1-CG 4.34Å; V209-P417 HydrophobicContact CG2-CG 3.87Å; V209-V421 HydrophobicContact CB-CG1 4.39Å; V209-V421 HydrophobicContact CG1-CB 3.89Å; V209-V421 HydrophobicContact CG1-CG1 3.78Å; V209-V421 HydrophobicContact CG1-CG2 4.32Å; V209-N425 HydrophobicContact CG1-CB 3.9Å; V209-N425 VanDerWaalsContact CG1-O 3.24Å; V209-N425 WeakPolarHBondContact CG1-O 3.43Å
210G96.7Very high94.4Very high0 Ų026.4 Ų26.40%012%0.116CC..THydrogen-bonded Turntrans-72.4-13.4-179.900000115.6V208 L212 T213 W214 Y416 N425 H440V208-G210 PolarHBondContact O-N 3.03Å; G210-L212 VanDerWaalsContact C-N 3.34Å; G210-L212 PolarHBondContact O-N 3.46Å; G210-T213 PolarHBondContact O-N 3.47Å; G210-T213 VanDerWaalsContact O-N 3.15Å; G210-T213 PolarHBondContact O-OG1 2.98Å; G210-W214 VanDerWaalsContact O-CB 3.24Å; G210-W214 WeakPolarHBondContact O-CB 3.42Å; G210-W214 PolarHBondContact O-N 3.17Å; G210-Y416 WeakPolarHBondContact CA-OH 3.45Å; G210-Y416 PolarHBondContact N-OH 3.35Å; G210-N425 WeakPolarHBondContact CA-OD1 3.24Å; G210-N425 PolarHBondContact N-OD1 2.8Å; G210-H440 VanDerWaalsContact CA-CE1 3.42Å; G210-H440 WeakPolarHBondContact CA-CE1 3.33Å
211F98.1Very high95.6Very high0 Ų016.3 Ų16.30%08%0.078CC..Hα-helixtrans-44.9-55-173.8165-108.9000113N205 V208 V209 H215 E352 H368 I398N205-F211 WeakPolarHBondContact O-CA 3.4Å; N205-F211 WeakPolarHBondContact O-CD2 3.45Å; V208-F211 WeakPolarHBondContact O-CB 3.27Å; V208-F211 PolarHBondContact O-N 3.22Å; V208-F211 VanDerWaalsContact O-N 3.08Å; V209-F211 VanDerWaalsContact C-N 3.3Å; V209-F211 PolarHBondContact O-N 3.02Å; F211-H215 AromaticContact CD2-CE1 3.57Å; F211-H215 AromaticContact CD2-ND1 3.37Å; F211-H215 WeakPolarHBondContact CD2-ND1 3.37Å; F211-H215 AromaticContact CE2-CE1 3.67Å; F211-H215 AromaticContact CE2-ND1 3.55Å; F211-H215 WeakPolarHBondContact O-CB 3.45Å; F211-H215 PolarHBondContact O-N 3.01Å; F211-H215 VanDerWaalsContact O-N 3.09Å; F211-H215 PolarHBondContact O-ND1 3.38Å; F211-E352 HydrophobicContact CD1-CB 3.61Å; F211-E352 HydrophobicContact CD1-CG 3.71Å; F211-E352 HydrophobicContact CD2-CG 3.93Å; F211-E352 WeakPolarHBondContact CD2-OE1 3.31Å; F211-E352 HydrophobicContact CE1-CB 3.65Å; F211-E352 HydrophobicContact CE1-CG 3.78Å; F211-E352 HydrophobicContact CE2-CG 3.99Å; F211-E352 HydrophobicContact CG-CB 4.21Å; F211-E352 VanDerWaalsContact CG-CD 3.45Å; F211-E352 HydrophobicContact CG-CG 3.82Å; F211-E352 HydrophobicContact CZ-CB 4.25Å; F211-E352 HydrophobicContact CZ-CG 3.93Å; F211-H368 AromaticContact CE2-CE1 3.62Å; F211-H368 AromaticContact CE2-NE2 3.63Å; F211-H368 HydrophobicContact CZ-CB 4.35Å; F211-H368 AromaticContact CZ-CD2 3.66Å; F211-H368 AromaticContact CZ-CE1 3.75Å; F211-H368 AromaticContact CZ-CG 3.71Å; F211-H368 AromaticContact CZ-ND1 3.77Å; F211-H368 AromaticContact CZ-NE2 3.64Å; F211-I398 HydrophobicContact CE1-CG2 4.18Å; F211-I398 HydrophobicContact CZ-CG2 4.26Å
212L98.5Very high96.5Very high5 Ų511.6 Ų11.63%0.0266%0.056CC..Hα-helixtrans-69.9-43.2-175.7-67.2171000112.9G210 R216 F332 F347 H348 L351 I398 F402G210-L212 VanDerWaalsContact C-N 3.34Å; G210-L212 PolarHBondContact O-N 3.46Å; L212-R216 WeakPolarHBondContact O-CB 3.42Å; L212-R216 PolarHBondContact O-N 2.94Å; L212-F332 HydrophobicContact CD1-CE2 3.75Å; L212-F332 HydrophobicContact CD1-CZ 4.41Å; L212-F347 HydrophobicContact CD1-CD1 3.94Å; L212-F347 HydrophobicContact CD1-CE1 3.68Å; L212-H348 HydrophobicContact CD1-CB 4.09Å; L212-L351 HydrophobicContact CD1-CD2 4.21Å; L212-L351 HydrophobicContact CD2-CD2 3.6Å; L212-L351 HydrophobicContact CD2-CG 4.18Å; L212-I398 HydrophobicContact CD2-CG2 3.83Å; L212-F402 HydrophobicContact CB-CD1 3.82Å; L212-F402 HydrophobicContact CB-CE1 3.9Å; L212-F402 HydrophobicContact CB-CG 4.27Å; L212-F402 HydrophobicContact CB-CZ 4.39Å; L212-F402 HydrophobicContact CD1-CB 4.48Å; L212-F402 HydrophobicContact CD1-CD1 4.43Å; L212-F402 HydrophobicContact CD1-CD2 3.95Å; L212-F402 HydrophobicContact CD1-CE2 4.3Å; L212-F402 HydrophobicContact CD1-CG 4.04Å; L212-F402 HydrophobicContact CD2-CB 4.26Å; L212-F402 HydrophobicContact CD2-CG 4.42Å; L212-F402 HydrophobicContact CG-CD1 4.48Å; L212-F402 HydrophobicContact CG-CG 4.47Å
213T98.6Very high97Very high0 Ų011 Ų110%05%0.053CC..Hα-helixtrans-70.5-39-179.343.20000112.9G210 R216 Y217 Y416 H440 M443 F444G210-T213 PolarHBondContact O-N 3.47Å; G210-T213 VanDerWaalsContact O-N 3.15Å; G210-T213 PolarHBondContact O-OG1 2.98Å; T213-R216 PolarHBondContact O-N 2.9Å; T213-Y217 PolarHBondContact O-N 2.68Å; T213-Y217 VanDerWaalsContact O-N 3.11Å; T213-Y416 HydrophobicContact CG2-CD2 4.24Å; T213-Y416 HydrophobicContact CG2-CE2 3.73Å; T213-H440 PolarHBondContact OG1-ND1 2.88Å; T213-M443 HydrophobicContact CG2-CB 4.04Å; T213-F444 HydrophobicContact CG2-CB 3.97Å; T213-F444 HydrophobicContact CG2-CD2 4.19Å
214W98.6Very high97.1Very high0 Ų011.4 Ų11.40%05%0.052CC..Hα-helixtrans-65.1-50.7177.5-169.3105000109.7I180 H181 A184 N205 G210 R216 Y217 Y218 M431 V432 F434I180-W214 HydrophobicContact CG2-CH2 3.97Å; I180-W214 HydrophobicContact CG2-CZ2 3.84Å; H181-W214 HydrophobicContact CB-CH2 4.09Å; H181-W214 AromaticContact CD2-CZ3 3.7Å; A184-W214 HydrophobicContact CB-CH2 4.43Å; A184-W214 HydrophobicContact CB-CZ2 3.51Å; N205-W214 HydrophobicContact CB-CB 4.22Å; N205-W214 HydrophobicContact CB-CD2 3.36Å; N205-W214 HydrophobicContact CB-CE3 3.6Å; N205-W214 HydrophobicContact CB-CG 3.62Å; N205-W214 HydrophobicContact CB-CZ2 4.35Å; N205-W214 HydrophobicContact CB-CZ3 4.23Å; G210-W214 VanDerWaalsContact O-CB 3.24Å; G210-W214 WeakPolarHBondContact O-CB 3.42Å; G210-W214 PolarHBondContact O-N 3.17Å; W214-R216 VanDerWaalsContact C-N 3.33Å; W214-R216 PolarHBondContact O-N 3.18Å; W214-Y217 PolarHBondContact O-N 3.43Å; W214-Y218 HydrophobicContact CE3-CG 4.3Å; W214-Y218 AromaticContact CH2-CD2 3.35Å; W214-Y218 HydrophobicContact CH2-CD2 3.35Å; W214-Y218 AromaticContact CH2-CE2 3.82Å; W214-Y218 HydrophobicContact CH2-CE2 3.82Å; W214-Y218 AromaticContact CH2-CG 3.81Å; W214-Y218 HydrophobicContact CH2-CG 3.81Å; W214-Y218 HydrophobicContact CZ2-CD2 4.33Å; W214-Y218 HydrophobicContact CZ3-CD1 4.06Å; W214-Y218 AromaticContact CZ3-CD2 3.55Å; W214-Y218 HydrophobicContact CZ3-CD2 3.55Å; W214-Y218 HydrophobicContact CZ3-CE2 4.2Å; W214-Y218 AromaticContact CZ3-CG 3.45Å; W214-Y218 HydrophobicContact CZ3-CG 3.45Å; W214-Y218 VanDerWaalsContact CZ3-CG 3.45Å; W214-Y218 VanDerWaalsContact O-CB 3.31Å; W214-Y218 WeakPolarHBondContact O-CB 3.37Å; W214-Y218 PolarHBondContact O-N 3.37Å; W214-M431 VanDerWaalsContact CA-SD 3.57Å; W214-M431 HydrophobicContact CB-SD 4.29Å; W214-V432 PolarHBondContact NE1-O 3.42Å; W214-F434 AromaticContact CD1-CE2 3.9Å; W214-F434 AromaticContact CD2-CE2 3.97Å; W214-F434 HydrophobicContact CD2-CE2 3.97Å; W214-F434 HydrophobicContact CD2-CZ 4.22Å; W214-F434 AromaticContact CE2-CE2 3.48Å; W214-F434 VanDerWaalsContact CE2-CE2 3.48Å; W214-F434 AromaticContact CE2-CZ 3.76Å; W214-F434 HydrophobicContact CG-CE2 4.19Å; W214-F434 HydrophobicContact CH2-CZ 4.06Å; W214-F434 AromaticContact CZ2-CE2 3.84Å; W214-F434 HydrophobicContact CZ2-CE2 3.84Å; W214-F434 AromaticContact CZ2-CZ 3.68Å; W214-F434 HydrophobicContact CZ2-CZ 3.68Å; W214-F434 AromaticContact NE1-CE2 3.44Å
215H98.8Very high97.2Very high7 Ų712.1 Ų12.13%0.0326%0.056CC..Hα-helixtrans-65.6-34.5178-74.591.1000112.5H181 N205 H206 F211 Y218 M219 F391 H395H181-H215 AromaticContact CD2-NE2 3.54Å; H181-H215 AromaticContact NE2-NE2 3.14Å; H181-H215 PolarHBondContact NE2-NE2 3.26Å; H181-H215 VanDerWaalsContact NE2-NE2 3.14Å; N205-H215 PolarHBondContact O-CE1 2.87Å; H206-H215 AromaticContact CD2-CE1 3.68Å; H206-H215 AromaticContact NE2-CE1 3.35Å; H206-H215 PolarHBondContact NE2-CE1 2.87Å; H206-H215 AromaticContact NE2-NE2 3.47Å; H206-H215 PolarHBondContact NE2-NE2 3.28Å; F211-H215 AromaticContact CD2-CE1 3.57Å; F211-H215 AromaticContact CD2-ND1 3.37Å; F211-H215 WeakPolarHBondContact CD2-ND1 3.37Å; F211-H215 AromaticContact CE2-CE1 3.67Å; F211-H215 AromaticContact CE2-ND1 3.55Å; F211-H215 WeakPolarHBondContact O-CB 3.45Å; F211-H215 PolarHBondContact O-N 3.01Å; F211-H215 VanDerWaalsContact O-N 3.09Å; F211-H215 PolarHBondContact O-ND1 3.38Å; H215-Y218 WeakPolarHBondContact O-CB 3.18Å; H215-Y218 PolarHBondContact O-N 3.37Å; H215-M219 WeakPolarHBondContact O-CB 3.48Å; H215-M219 VanDerWaalsContact O-CG 3.23Å; H215-M219 WeakPolarHBondContact O-CG 3.32Å; H215-M219 PolarHBondContact O-N 3.38Å; H215-F391 AromaticContact CD2-CZ 3.82Å; H215-H395 AromaticContact CD2-CE1 3.29Å; H215-H395 PolarHBondContact CD2-CE1 3.34Å; H215-H395 AromaticContact CD2-ND1 3.31Å; H215-H395 PolarHBondContact CD2-ND1 3.14Å; H215-H395 VanDerWaalsContact CD2-ND1 3.31Å; H215-H395 AromaticContact CG-CE1 3.89Å; H215-H395 AromaticContact CG-ND1 3.67Å; H215-H395 AromaticContact NE2-CE1 3.6Å
216R98.8Very high97.3Very high1 Ų112.1 Ų12.10%0.0046%0.056CC..Hα-helixtrans-58.6-49.5172.9172172.8-72.6-173.9-8.3112L212 T213 W214 M219 L220 D399 M443 V445 I450L212-R216 WeakPolarHBondContact O-CB 3.42Å; L212-R216 PolarHBondContact O-N 2.94Å; T213-R216 PolarHBondContact O-N 2.9Å; W214-R216 VanDerWaalsContact C-N 3.33Å; W214-R216 PolarHBondContact O-N 3.18Å; R216-M219 PolarHBondContact O-N 3.1Å; R216-L220 PolarHBondContact O-N 3.18Å; R216-L220 VanDerWaalsContact O-N 3.07Å; R216-D399 IonicContact CZ-OD1 3.29Å; R216-D399 IonicContact NE-OD1 3.45Å; R216-D399 PolarHBondContact NE-OD1 3.16Å; R216-D399 IonicContact NH2-OD1 3.54Å; R216-D399 PolarHBondContact NH2-OD1 3.11Å; R216-M443 VanDerWaalsContact CD-O 3.26Å; R216-M443 WeakPolarHBondContact CD-O 3.44Å; R216-M443 HydrophobicContact CG-CB 4.49Å; R216-M443 HydrophobicContact CG-SD 4.37Å; R216-M443 PolarHBondContact NH1-O 2.91Å; R216-V445 PolarHBondContact NH1-O 3.05Å; R216-I450 HydrophobicContact CG-CD1 4.37Å
217Y98.4Very high97.3Very high4 Ų412.9 Ų12.92%0.0166%0.058CC..Hα-helixtrans-67.6-41.5177.6-174.2-111.1000112.2Y106 T213 W214 M219 L220 F221 M431 F434 I438 M443Y106-Y217 HydrophobicContact CE2-CD2 4.45Å; Y106-Y217 AromaticContact CE2-CE2 3.69Å; Y106-Y217 HydrophobicContact CE2-CE2 3.69Å; T213-Y217 PolarHBondContact O-N 2.68Å; T213-Y217 VanDerWaalsContact O-N 3.11Å; W214-Y217 PolarHBondContact O-N 3.43Å; Y217-M219 VanDerWaalsContact C-N 3.28Å; Y217-M219 PolarHBondContact O-N 3.18Å; Y217-L220 WeakPolarHBondContact O-CB 3.46Å; Y217-L220 PolarHBondContact O-N 3.48Å; Y217-L220 VanDerWaalsContact O-N 3.09Å; Y217-F221 HydrophobicContact CE1-CB 4.38Å; Y217-F221 WeakPolarHBondContact O-CB 3.46Å; Y217-F221 PolarHBondContact O-N 3.01Å; Y217-M431 HydrophobicContact CD1-CE 3.98Å; Y217-M431 HydrophobicContact CG-CE 3.78Å; Y217-F434 HydrophobicContact CD1-CB 4.31Å; Y217-F434 AromaticContact CD1-CD1 3.64Å; Y217-F434 HydrophobicContact CD1-CD1 3.64Å; Y217-F434 AromaticContact CD1-CD2 3.62Å; Y217-F434 HydrophobicContact CD1-CD2 3.62Å; Y217-F434 AromaticContact CD1-CE1 3.74Å; Y217-F434 HydrophobicContact CD1-CE1 3.74Å; Y217-F434 AromaticContact CD1-CE2 3.71Å; Y217-F434 HydrophobicContact CD1-CE2 3.71Å; Y217-F434 AromaticContact CD1-CG 3.57Å; Y217-F434 HydrophobicContact CD1-CG 3.57Å; Y217-F434 AromaticContact CD1-CZ 3.77Å; Y217-F434 HydrophobicContact CD1-CZ 3.77Å; Y217-F434 HydrophobicContact CE1-CB 3.82Å; Y217-F434 AromaticContact CE1-CD1 3.45Å; Y217-F434 HydrophobicContact CE1-CD1 3.45Å; Y217-F434 VanDerWaalsContact CE1-CD1 3.45Å; Y217-F434 HydrophobicContact CE1-CD2 4.02Å; Y217-F434 AromaticContact CE1-CE1 3.96Å; Y217-F434 HydrophobicContact CE1-CE1 3.96Å; Y217-F434 HydrophobicContact CE1-CE2 4.45Å; Y217-F434 AromaticContact CE1-CG 3.48Å; Y217-F434 HydrophobicContact CE1-CG 3.48Å; Y217-F434 VanDerWaalsContact CE1-CG 3.48Å; Y217-F434 HydrophobicContact CE1-CZ 4.44Å; Y217-I438 HydrophobicContact CD1-CG1 4.39Å; Y217-I438 HydrophobicContact CD2-CG1 4.28Å; Y217-I438 HydrophobicContact CD2-CG2 4.18Å; Y217-I438 HydrophobicContact CE1-CB 4.38Å; Y217-I438 HydrophobicContact CE1-CG1 3.81Å; Y217-I438 HydrophobicContact CE2-CB 4.43Å; Y217-I438 HydrophobicContact CE2-CD1 4.22Å; Y217-I438 HydrophobicContact CE2-CG1 3.67Å; Y217-I438 HydrophobicContact CE2-CG2 4.33Å; Y217-I438 HydrophobicContact CG-CG2 4.42Å; Y217-I438 VanDerWaalsContact CZ-CG1 3.43Å; Y217-M443 HydrophobicContact CD2-CE 3.78Å; Y217-M443 HydrophobicContact CD2-SD 3.82Å; Y217-M443 HydrophobicContact CE2-CE 4.43Å; Y217-M443 HydrophobicContact CG-SD 4.3Å
218Y98.4Very high97.5Very high0 Ų010.6 Ų10.60%05%0.046CC..Hα-helixtrans-52.4-47.8174.8-177-108000111.5F177 I180 H181 W214 H215 F221 W222 P386 F391 F434F177-Y218 HydrophobicContact CB-CE2 4.42Å; F177-Y218 HydrophobicContact CD1-CD2 4.14Å; F177-Y218 AromaticContact CD1-CE2 3.6Å; F177-Y218 HydrophobicContact CD1-CE2 3.6Å; F177-Y218 AromaticContact CD1-CZ 3.85Å; F177-Y218 HydrophobicContact CE1-CE2 4.41Å; F177-Y218 PolarHBondContact O-OH 3.01Å; I180-Y218 HydrophobicContact CB-CE2 4.2Å; I180-Y218 HydrophobicContact CG2-CD2 4.03Å; I180-Y218 HydrophobicContact CG2-CE2 3.97Å; H181-Y218 HydrophobicContact CB-CE2 4.11Å; W214-Y218 HydrophobicContact CE3-CG 4.3Å; W214-Y218 AromaticContact CH2-CD2 3.35Å; W214-Y218 HydrophobicContact CH2-CD2 3.35Å; W214-Y218 AromaticContact CH2-CE2 3.82Å; W214-Y218 HydrophobicContact CH2-CE2 3.82Å; W214-Y218 AromaticContact CH2-CG 3.81Å; W214-Y218 HydrophobicContact CH2-CG 3.81Å; W214-Y218 HydrophobicContact CZ2-CD2 4.33Å; W214-Y218 HydrophobicContact CZ3-CD1 4.06Å; W214-Y218 AromaticContact CZ3-CD2 3.55Å; W214-Y218 HydrophobicContact CZ3-CD2 3.55Å; W214-Y218 HydrophobicContact CZ3-CE2 4.2Å; W214-Y218 AromaticContact CZ3-CG 3.45Å; W214-Y218 HydrophobicContact CZ3-CG 3.45Å; W214-Y218 VanDerWaalsContact CZ3-CG 3.45Å; W214-Y218 VanDerWaalsContact O-CB 3.31Å; W214-Y218 WeakPolarHBondContact O-CB 3.37Å; W214-Y218 PolarHBondContact O-N 3.37Å; H215-Y218 WeakPolarHBondContact O-CB 3.18Å; H215-Y218 PolarHBondContact O-N 3.37Å; Y218-F221 PolarHBondContact O-N 3.15Å; Y218-W222 HydrophobicContact CD1-CE3 4.2Å; Y218-W222 AromaticContact CE1-CE3 3.44Å; Y218-W222 HydrophobicContact CE1-CE3 3.44Å; Y218-W222 VanDerWaalsContact CE1-CE3 3.44Å; Y218-W222 AromaticContact CE1-CZ3 3.5Å; Y218-W222 HydrophobicContact CE1-CZ3 3.5Å; Y218-W222 VanDerWaalsContact CE1-CZ3 3.5Å; Y218-W222 AromaticContact CZ-CE3 3.73Å; Y218-W222 AromaticContact CZ-CZ3 3.68Å; Y218-W222 WeakPolarHBondContact O-CB 3.39Å; Y218-W222 PolarHBondContact O-N 2.93Å; Y218-W222 VanDerWaalsContact OH-CZ3 3.24Å; Y218-W222 WeakPolarHBondContact OH-CZ3 3.36Å; Y218-P386 WeakPolarHBondContact OH-CB 3.32Å; Y218-F391 AromaticContact CD1-CE1 3.84Å; Y218-F391 HydrophobicContact CD1-CE1 3.84Å; Y218-F391 HydrophobicContact CD1-CZ 4.35Å; Y218-F391 HydrophobicContact CE1-CD1 4.21Å; Y218-F391 AromaticContact CE1-CE1 3.42Å; Y218-F391 HydrophobicContact CE1-CE1 3.42Å; Y218-F391 VanDerWaalsContact CE1-CE1 3.42Å; Y218-F391 AromaticContact CE1-CZ 3.92Å; Y218-F391 HydrophobicContact CE1-CZ 3.92Å; Y218-F434 HydrophobicContact CD2-CE1 4.15Å; Y218-F434 HydrophobicContact CD2-CZ 4.01Å; Y218-F434 HydrophobicContact CG-CZ 4.47Å
219M98.6Very high97.7Very high1 Ų110.5 Ų10.51%0.0055%0.045CC..Hα-helixtrans-66.8-37.5177-68.3-47.4-61.400113.1H215 R216 Y217 E223 I241 F391 L392 H395H215-M219 WeakPolarHBondContact O-CB 3.48Å; H215-M219 VanDerWaalsContact O-CG 3.23Å; H215-M219 WeakPolarHBondContact O-CG 3.32Å; H215-M219 PolarHBondContact O-N 3.38Å; R216-M219 PolarHBondContact O-N 3.1Å; Y217-M219 VanDerWaalsContact C-N 3.28Å; Y217-M219 PolarHBondContact O-N 3.18Å; M219-E223 WeakPolarHBondContact O-CB 3.44Å; M219-E223 PolarHBondContact O-N 3.03Å; M219-I241 HydrophobicContact CE-CB 4.45Å; M219-I241 HydrophobicContact CE-CD1 3.52Å; M219-I241 HydrophobicContact CE-CG2 3.92Å; M219-F391 HydrophobicContact SD-CD1 4.26Å; M219-F391 HydrophobicContact SD-CE1 4.06Å; M219-L392 HydrophobicContact CE-CB 4.46Å; M219-L392 HydrophobicContact CE-CD2 4.04Å; M219-L392 WeakPolarHBondContact CE-O 3.39Å; M219-H395 HydrophobicContact CG-CB 3.95Å; M219-H395 HydrophobicContact SD-CB 3.85Å
220L97.8Very high97.9Very high2 Ų210.4 Ų10.41%0.015%0.045CC..Hα-helixtrans-65.1-43.1174.2-85179.6000112.3Y106 R216 Y217 E223 R224 M443 I450 Y452Y106-L220 HydrophobicContact CD1-CB 4.17Å; Y106-L220 HydrophobicContact CD1-CD1 4.26Å; Y106-L220 HydrophobicContact CD1-CD2 3.88Å; Y106-L220 HydrophobicContact CD1-CG 4.36Å; Y106-L220 HydrophobicContact CD2-CD1 4.48Å; Y106-L220 HydrophobicContact CE1-CB 3.73Å; Y106-L220 HydrophobicContact CE1-CD2 4.21Å; Y106-L220 HydrophobicContact CE1-CG 4.41Å; Y106-L220 WeakPolarHBondContact CE1-O 3.11Å; Y106-L220 HydrophobicContact CG-CD1 4.21Å; R216-L220 PolarHBondContact O-N 3.18Å; R216-L220 VanDerWaalsContact O-N 3.07Å; Y217-L220 WeakPolarHBondContact O-CB 3.46Å; Y217-L220 PolarHBondContact O-N 3.48Å; Y217-L220 VanDerWaalsContact O-N 3.09Å; L220-E223 PolarHBondContact O-N 3.46Å; L220-R224 PolarHBondContact O-N 3.29Å; L220-M443 HydrophobicContact CD1-SD 4.2Å; L220-I450 HydrophobicContact CD1-CD1 3.93Å; L220-I450 HydrophobicContact CD1-CG1 4.48Å; L220-Y452 HydrophobicContact CD1-CE1 4.03Å; L220-Y452 HydrophobicContact CD2-CD1 3.74Å; L220-Y452 HydrophobicContact CD2-CE1 3.65Å; L220-Y452 HydrophobicContact CG-CE1 4.01Å
221F96.5Very high98Very high10 Ų1014.1 Ų14.14%0.0446%0.063CC..Hα-helixtrans-63.7-45.4177.5-176.3-142.8000110.3Y106 Y149 F177 I180 Y217 Y218 E223 R224 H225 F434Y106-F221 WeakPolarHBondContact OH-CA 3.44Å; Y149-F221 HydrophobicContact CD2-CZ 4.14Å; Y149-F221 HydrophobicContact CE1-CZ 4.46Å; Y149-F221 HydrophobicContact CE2-CE2 4.01Å; Y149-F221 AromaticContact CE2-CZ 3.57Å; Y149-F221 HydrophobicContact CE2-CZ 3.57Å; Y149-F221 AromaticContact CZ-CZ 3.74Å; F177-F221 HydrophobicContact CE1-CB 4.26Å; F177-F221 AromaticContact CE1-CD1 3.58Å; F177-F221 HydrophobicContact CE1-CD1 3.58Å; F177-F221 HydrophobicContact CE1-CE1 4.16Å; F177-F221 HydrophobicContact CE1-CG 4.06Å; F177-F221 HydrophobicContact CZ-CB 4.46Å; F177-F221 AromaticContact CZ-CD1 3.69Å; F177-F221 HydrophobicContact CZ-CD1 3.69Å; F177-F221 AromaticContact CZ-CE1 3.98Å; F177-F221 HydrophobicContact CZ-CE1 3.98Å; F177-F221 AromaticContact CZ-CG 3.98Å; F177-F221 HydrophobicContact CZ-CG 3.98Å; F177-F221 HydrophobicContact CZ-CZ 4.5Å; I180-F221 HydrophobicContact CD1-CD1 4.33Å; I180-F221 HydrophobicContact CD1-CE1 3.78Å; Y217-F221 HydrophobicContact CE1-CB 4.38Å; Y217-F221 WeakPolarHBondContact O-CB 3.46Å; Y217-F221 PolarHBondContact O-N 3.01Å; Y218-F221 PolarHBondContact O-N 3.15Å; F221-E223 PolarHBondContact O-N 3.45Å; F221-R224 WeakPolarHBondContact O-CB 3.04Å; F221-R224 PolarHBondContact O-N 2.9Å; F221-H225 AromaticContact CD2-CD2 3.98Å; F221-H225 AromaticContact CE2-CD2 3.67Å; F221-H225 AromaticContact CE2-NE2 3.26Å; F221-H225 VanDerWaalsContact CE2-NE2 3.26Å; F221-H225 WeakPolarHBondContact CE2-NE2 3.41Å; F221-H225 AromaticContact CZ-NE2 3.63Å; F221-H225 PolarHBondContact O-CD2 2.81Å; F221-H225 PolarHBondContact O-N 3.18Å; F221-F434 HydrophobicContact CD1-CD1 4.06Å; F221-F434 HydrophobicContact CD1-CE1 4.03Å
222W97.7Very high98Very high1 Ų123.9 Ų23.90%0.00410%0.1CC..Hα-helixtrans-61.6-45.1175.2-152.9-18.9000112.6M142 F177 Y218 R224 H225 L226 I241 P386 F391 L392M142-W222 HydrophobicContact CE-CZ2 4.09Å; M142-W222 HydrophobicContact SD-CZ2 3.93Å; M142-W222 PolarHBondContact SD-NE1 2.8Å; F177-W222 HydrophobicContact CB-CD2 3.82Å; F177-W222 HydrophobicContact CB-CE3 3.9Å; F177-W222 HydrophobicContact CB-CH2 3.74Å; F177-W222 HydrophobicContact CB-CZ2 3.64Å; F177-W222 HydrophobicContact CB-CZ3 3.88Å; F177-W222 HydrophobicContact CD1-CB 3.77Å; F177-W222 AromaticContact CD1-CD2 3.58Å; F177-W222 HydrophobicContact CD1-CD2 3.58Å; F177-W222 AromaticContact CD1-CE3 3.74Å; F177-W222 HydrophobicContact CD1-CE3 3.74Å; F177-W222 AromaticContact CD1-CG 3.63Å; F177-W222 HydrophobicContact CD1-CG 3.63Å; F177-W222 HydrophobicContact CD1-CZ3 4.49Å; F177-W222 HydrophobicContact CD2-CB 4.49Å; F177-W222 AromaticContact CD2-CD1 3.55Å; F177-W222 AromaticContact CD2-CD2 3.92Å; F177-W222 HydrophobicContact CD2-CD2 3.92Å; F177-W222 AromaticContact CD2-CE2 3.79Å; F177-W222 AromaticContact CD2-CG 3.79Å; F177-W222 HydrophobicContact CD2-CG 3.79Å; F177-W222 AromaticContact CD2-NE1 3.56Å; F177-W222 VanDerWaalsContact CE1-CA 3.41Å; F177-W222 HydrophobicContact CE1-CB 3.46Å; F177-W222 VanDerWaalsContact CE1-CB 3.46Å; F177-W222 HydrophobicContact CE1-CD2 4.21Å; F177-W222 AromaticContact CE1-CG 3.76Å; F177-W222 HydrophobicContact CE1-CG 3.76Å; F177-W222 HydrophobicContact CE2-CB 4.25Å; F177-W222 AromaticContact CE2-CD1 3.67Å; F177-W222 AromaticContact CE2-CG 3.93Å; F177-W222 HydrophobicContact CE2-CG 3.93Å; F177-W222 HydrophobicContact CG-CB 4.32Å; F177-W222 AromaticContact CG-CD1 3.92Å; F177-W222 AromaticContact CG-CD2 3.46Å; F177-W222 HydrophobicContact CG-CD2 3.46Å; F177-W222 VanDerWaalsContact CG-CD2 3.46Å; F177-W222 AromaticContact CG-CE2 3.6Å; F177-W222 AromaticContact CG-CE3 3.87Å; F177-W222 HydrophobicContact CG-CE3 3.87Å; F177-W222 AromaticContact CG-CG 3.7Å; F177-W222 HydrophobicContact CG-CG 3.7Å; F177-W222 HydrophobicContact CG-CH2 4.47Å; F177-W222 HydrophobicContact CG-CZ2 4.12Å; F177-W222 HydrophobicContact CG-CZ3 4.36Å; F177-W222 AromaticContact CG-NE1 3.87Å; F177-W222 HydrophobicContact CZ-CB 3.78Å; F177-W222 AromaticContact CZ-CG 3.96Å; F177-W222 HydrophobicContact CZ-CG 3.96Å; Y218-W222 HydrophobicContact CD1-CE3 4.2Å; Y218-W222 AromaticContact CE1-CE3 3.44Å; Y218-W222 HydrophobicContact CE1-CE3 3.44Å; Y218-W222 VanDerWaalsContact CE1-CE3 3.44Å; Y218-W222 AromaticContact CE1-CZ3 3.5Å; Y218-W222 HydrophobicContact CE1-CZ3 3.5Å; Y218-W222 VanDerWaalsContact CE1-CZ3 3.5Å; Y218-W222 AromaticContact CZ-CE3 3.73Å; Y218-W222 AromaticContact CZ-CZ3 3.68Å; Y218-W222 WeakPolarHBondContact O-CB 3.39Å; Y218-W222 PolarHBondContact O-N 2.93Å; Y218-W222 VanDerWaalsContact OH-CZ3 3.24Å; Y218-W222 WeakPolarHBondContact OH-CZ3 3.36Å; W222-R224 VanDerWaalsContact C-N 3.26Å; W222-R224 PolarHBondContact O-N 2.97Å; W222-H225 PolarHBondContact O-N 3.14Å; W222-H225 VanDerWaalsContact O-N 3.11Å; W222-L226 PolarHBondContact O-N 2.93Å; W222-I241 HydrophobicContact CB-CD1 4.26Å; W222-P386 HydrophobicContact CH2-CB 4.16Å; W222-P386 WeakPolarHBondContact CH2-O 3.32Å; W222-P386 HydrophobicContact CZ3-CB 4.13Å; W222-F391 HydrophobicContact CZ3-CD1 4.05Å; W222-F391 HydrophobicContact CZ3-CE1 4.46Å; W222-L392 HydrophobicContact CD2-CD2 3.5Å; W222-L392 VanDerWaalsContact CD2-CD2 3.5Å; W222-L392 HydrophobicContact CE3-CD2 3.63Å; W222-L392 HydrophobicContact CG-CD2 4.06Å; W222-L392 HydrophobicContact CH2-CD2 4.03Å; W222-L392 HydrophobicContact CZ2-CD2 3.92Å; W222-L392 HydrophobicContact CZ3-CD2 3.88Å
223E98.4Very high98Very high4 Ų425.9 Ų25.92%0.01911%0.111CC..Hα-helixtrans-58.9-38178.2-175175.693.500111.9R121 M219 L220 F221 H225 L226 R227 T240 I241R121-E223 IonicContact CZ-OE2 3.88Å; R121-E223 IonicContact NE-OE2 2.85Å; R121-E223 PolarHBondContact NE-OE2 2.91Å; R121-E223 IonicContact NH2-OE1 3.48Å; R121-E223 IonicContact NH2-OE2 3.34Å; R121-E223 PolarHBondContact NH2-OE2 3.28Å; R121-E223 VanDerWaalsContact NH2-OE2 3.14Å; M219-E223 WeakPolarHBondContact O-CB 3.44Å; M219-E223 PolarHBondContact O-N 3.03Å; L220-E223 PolarHBondContact O-N 3.46Å; F221-E223 PolarHBondContact O-N 3.45Å; E223-H225 PolarHBondContact O-N 2.94Å; E223-L226 PolarHBondContact O-N 3.39Å; E223-R227 WeakPolarHBondContact O-CB 3.39Å; E223-R227 PolarHBondContact O-N 3.4Å; E223-R227 IonicContact OE1-NH2 3.28Å; E223-R227 PolarHBondContact OE1-NH2 2.88Å; E223-T240 VanDerWaalsContact OE2-CA 3.31Å; E223-T240 WeakPolarHBondContact OE2-CA 3.23Å; E223-T240 WeakPolarHBondContact OE2-CB 3.48Å; E223-I241 HydrophobicContact CB-CD1 3.71Å; E223-I241 HydrophobicContact CB-CG1 3.89Å; E223-I241 HydrophobicContact CG-CD1 4.43Å; E223-I241 HydrophobicContact CG-CG1 4.06Å; E223-I241 PolarHBondContact OE2-N 3.36Å
224R95.5Very high98Very high32 Ų3230.4 Ų30.412%0.12113%0.128CC..Hα-helixtrans-61.9-42.9176.1-175.7177.3-67.9173.21.4112E103 C104 Y106 L220 F221 W222 R227 K228E103-R224 IonicContact OE2-CZ 3.55Å; E103-R224 IonicContact OE2-NE 2.76Å; E103-R224 IonicContact OE2-NH1 2.71Å; E103-R224 PolarHBondContact OE2-NH1 3.25Å; C104-R224 PolarHBondContact O-NH2 3.09Å; Y106-R224 VanDerWaalsContact CZ-CZ 3.41Å; L220-R224 PolarHBondContact O-N 3.29Å; F221-R224 WeakPolarHBondContact O-CB 3.04Å; F221-R224 PolarHBondContact O-N 2.9Å; W222-R224 VanDerWaalsContact C-N 3.26Å; W222-R224 PolarHBondContact O-N 2.97Å; R224-R227 PolarHBondContact O-N 3.09Å; R224-K228 WeakPolarHBondContact O-CG 3.29Å; R224-K228 PolarHBondContact O-N 3.04Å
225H96.3Very high98Very high17 Ų1732.7 Ų32.78%0.07915%0.153CC..Hα-helixtrans-66.7-46.2176.1-79.8-95.4000111.8V173 F177 F221 W222 E223 R227 K228 I229V173-H225 HydrophobicContact CG1-CB 4.17Å; F177-H225 HydrophobicContact CE2-CB 4.14Å; F177-H225 AromaticContact CZ-CD2 3.9Å; F221-H225 AromaticContact CD2-CD2 3.98Å; F221-H225 AromaticContact CE2-CD2 3.67Å; F221-H225 AromaticContact CE2-NE2 3.26Å; F221-H225 VanDerWaalsContact CE2-NE2 3.26Å; F221-H225 WeakPolarHBondContact CE2-NE2 3.41Å; F221-H225 AromaticContact CZ-NE2 3.63Å; F221-H225 PolarHBondContact O-CD2 2.81Å; F221-H225 PolarHBondContact O-N 3.18Å; W222-H225 PolarHBondContact O-N 3.14Å; W222-H225 VanDerWaalsContact O-N 3.11Å; E223-H225 PolarHBondContact O-N 2.94Å; H225-R227 VanDerWaalsContact C-N 3.3Å; H225-R227 PolarHBondContact O-N 2.87Å; H225-K228 WeakPolarHBondContact O-CB 3.34Å; H225-K228 PolarHBondContact O-N 3.14Å; H225-I229 PolarHBondContact O-N 3.27Å
226L98.5Very high97.9Very high0 Ų033.2 Ų33.20%015%0.154CC..Hα-helixtrans-63.8-34.6176.8-71.6-180000112.5V138 M142 W222 E223 I229 A230 F239 I241 L392V138-L226 HydrophobicContact CG1-CB 4.16Å; V138-L226 HydrophobicContact CG1-CD2 4Å; M142-L226 HydrophobicContact CE-CD2 4.44Å; M142-L226 HydrophobicContact CG-CD2 3.48Å; M142-L226 VanDerWaalsContact CG-CD2 3.48Å; M142-L226 HydrophobicContact SD-CD2 3.46Å; M142-L226 WeakPolarHBondContact SD-CD2 3.45Å; M142-L226 HydrophobicContact SD-CG 4.29Å; W222-L226 PolarHBondContact O-N 2.93Å; E223-L226 PolarHBondContact O-N 3.39Å; L226-I229 HydrophobicContact CD2-CD1 4.29Å; L226-I229 WeakPolarHBondContact O-CB 3.28Å; L226-I229 PolarHBondContact O-N 3.23Å; L226-A230 WeakPolarHBondContact O-CB 3.24Å; L226-A230 PolarHBondContact O-N 2.9Å; L226-F239 HydrophobicContact CB-CD1 4.22Å; L226-F239 HydrophobicContact CB-CE1 3.37Å; L226-F239 HydrophobicContact CB-CZ 3.77Å; L226-F239 HydrophobicContact CD1-CE1 4.29Å; L226-F239 HydrophobicContact CD1-CZ 4.22Å; L226-F239 HydrophobicContact CG-CE1 4.47Å; L226-I241 HydrophobicContact CD1-CD1 4.02Å; L226-I241 HydrophobicContact CD1-CG1 3.97Å; L226-L392 HydrophobicContact CD1-CD1 4.14Å; L226-L392 HydrophobicContact CD1-CD2 4.32Å
227R97.6Very high97.8Very high31 Ų3137.3 Ų37.312%0.11718%0.179CC..Hα-helixtrans-63.8-42.1174.1-175.2178.8-60.114310.1111.5Y119 E223 R224 H225 I229 A230 I231 F239Y119-R227 VanDerWaalsContact CE2-NH1 3.27Å; Y119-R227 VanDerWaalsContact CZ-CZ 3.5Å; Y119-R227 VanDerWaalsContact CZ-NH1 3.29Å; Y119-R227 PolarHBondContact OH-NH1 2.84Å; E223-R227 WeakPolarHBondContact O-CB 3.39Å; E223-R227 PolarHBondContact O-N 3.4Å; E223-R227 IonicContact OE1-NH2 3.28Å; E223-R227 PolarHBondContact OE1-NH2 2.88Å; R224-R227 PolarHBondContact O-N 3.09Å; H225-R227 VanDerWaalsContact C-N 3.3Å; H225-R227 PolarHBondContact O-N 2.87Å; R227-I229 VanDerWaalsContact C-N 3.29Å; R227-I229 PolarHBondContact O-N 3.12Å; R227-A230 PolarHBondContact O-N 3.31Å; R227-I231 HydrophobicContact CG-CD1 3.92Å; R227-I231 HydrophobicContact CG-CG1 4.41Å; R227-I231 WeakPolarHBondContact O-CB 3.38Å; R227-I231 VanDerWaalsContact O-CG1 3.29Å; R227-I231 WeakPolarHBondContact O-CG1 3.33Å; R227-I231 PolarHBondContact O-N 3.01Å; R227-F239 HydrophobicContact CB-CB 4.41Å; R227-F239 HydrophobicContact CB-CD1 4.06Å; R227-F239 HydrophobicContact CG-CB 4.25Å; R227-F239 PolarHBondContact NE-O 2.93Å; R227-F239 PolarHBondContact NH2-O 2.51Å
228K96.8Very high97.7Very high94 Ų9441.1 Ų41.141%0.40920%0.2SC..Hα-helixtrans-57.1-44.2173.6-69.9174.9-179.4179.40110.6E103 R224 H225 R232E103-K228 IonicContact OE1-NZ 2.78Å; E103-K228 PolarHBondContact OE1-NZ 3Å; E103-K228 VanDerWaalsContact OE1-NZ 3.09Å; R224-K228 WeakPolarHBondContact O-CG 3.29Å; R224-K228 PolarHBondContact O-N 3.04Å; H225-K228 WeakPolarHBondContact O-CB 3.34Å; H225-K228 PolarHBondContact O-N 3.14Å; K228-R232 PolarHBondContact O-N 3.05Å; K228-R232 VanDerWaalsContact O-N 3.15Å
229I98.6Very high97.7Very high10 Ų1041.1 Ų41.15%0.05120%0.2CC..Hα-helixtrans-62.7-48174.6-66.7172.3000111.5V138 R141 M142 T145 H225 L226 R227 I231 R232 L233V138-I229 HydrophobicContact CB-CG2 4.36Å; V138-I229 HydrophobicContact CG1-CB 4.34Å; V138-I229 HydrophobicContact CG1-CG2 4.01Å; V138-I229 HydrophobicContact CG2-CG2 4.43Å; R141-I229 HydrophobicContact CB-CG2 3.67Å; R141-I229 HydrophobicContact CG-CG2 3.65Å; M142-I229 HydrophobicContact CG-CD1 4.15Å; T145-I229 HydrophobicContact CG2-CD1 4.03Å; T145-I229 HydrophobicContact CG2-CG1 4.02Å; H225-I229 PolarHBondContact O-N 3.27Å; L226-I229 HydrophobicContact CD2-CD1 4.29Å; L226-I229 WeakPolarHBondContact O-CB 3.28Å; L226-I229 PolarHBondContact O-N 3.23Å; R227-I229 VanDerWaalsContact C-N 3.29Å; R227-I229 PolarHBondContact O-N 3.12Å; I229-I231 PolarHBondContact O-N 3.5Å; I229-R232 PolarHBondContact O-N 3.33Å; I229-L233 HydrophobicContact CG2-CD1 3.74Å; I229-L233 HydrophobicContact CG2-CG 4.21Å; I229-L233 WeakPolarHBondContact O-CG 2.94Å; I229-L233 PolarHBondContact O-N 3.02Å
230A98.8Very high97.7Very high0 Ų041.2 Ų41.20%020%0.201CC..Hα-helixtrans-62.6-39.7-177.700000112.9V138 L226 R227 Y234 W236 F239V138-A230 HydrophobicContact CG1-CB 4.18Å; V138-A230 HydrophobicContact CG2-CB 3.7Å; L226-A230 WeakPolarHBondContact O-CB 3.24Å; L226-A230 PolarHBondContact O-N 2.9Å; R227-A230 PolarHBondContact O-N 3.31Å; A230-Y234 PolarHBondContact O-N 3.32Å; A230-W236 HydrophobicContact CB-CB 4.11Å; A230-W236 PolarHBondContact O-N 3.4Å; A230-F239 HydrophobicContact CB-CB 3.6Å; A230-F239 HydrophobicContact CB-CD1 4.35Å; A230-F239 HydrophobicContact CB-CD2 3.54Å; A230-F239 HydrophobicContact CB-CE2 4.31Å; A230-F239 HydrophobicContact CB-CG 3.56Å
231I98.4Very high97.7Very high77 Ų7741.1 Ų41.140%0.39520%0.2SC..Hα-helixtrans-62.3-47.7173-69.8167.5000110.2R227 I229 L233 G235 T237R227-I231 HydrophobicContact CG-CD1 3.92Å; R227-I231 HydrophobicContact CG-CG1 4.41Å; R227-I231 WeakPolarHBondContact O-CB 3.38Å; R227-I231 VanDerWaalsContact O-CG1 3.29Å; R227-I231 WeakPolarHBondContact O-CG1 3.33Å; R227-I231 PolarHBondContact O-N 3.01Å; I229-I231 PolarHBondContact O-N 3.5Å; I231-L233 PolarHBondContact O-N 2.97Å; I231-G235 VanDerWaalsContact O-CA 3.26Å; I231-G235 WeakPolarHBondContact O-CA 3.42Å; I231-G235 PolarHBondContact O-N 2.61Å; I231-T237 HydrophobicContact CG1-CG2 4.22Å
232R98.2Very high97.9Very high205 Ų20540.6 Ų40.677%0.77420%0.198SC*.Hα-helixtrans-63.4-40.2-179.6-176.4178.8177.2-179.10.7112.9K228 I229K228-R232 PolarHBondContact O-N 3.05Å; K228-R232 VanDerWaalsContact O-N 3.15Å; I229-R232 PolarHBondContact O-N 3.33Å
233L98.3Very high97.9Very high48 Ų4840.7 Ų40.725%0.25120%0.198SC..Hα-helixtrans-80.1-36.5-176.6-68-179.5000113.3V138 R141 I229 I231V138-L233 HydrophobicContact CG2-CD1 4.28Å; R141-L233 HydrophobicContact CB-CD1 4.08Å; R141-L233 HydrophobicContact CG-CD1 4.2Å; I229-L233 HydrophobicContact CG2-CD1 3.74Å; I229-L233 HydrophobicContact CG2-CG 4.21Å; I229-L233 WeakPolarHBondContact O-CG 2.94Å; I229-L233 PolarHBondContact O-N 3.02Å; I231-L233 PolarHBondContact O-N 2.97Å
234Y98.5Very high97.9Very high94 Ų9440.5 Ų40.537%0.36920%0.197SC..Hα-helixtrans-137.8-0.6-165.7-61.9-60.3000115M134 N137 V138 A230 W236M134-Y234 HydrophobicContact CB-CD2 4.06Å; M134-Y234 HydrophobicContact CB-CE2 3.94Å; M134-Y234 HydrophobicContact CE-CD1 4.37Å; M134-Y234 HydrophobicContact CE-CD2 4.16Å; M134-Y234 HydrophobicContact CE-CG 3.84Å; M134-Y234 HydrophobicContact CG-CD1 4.2Å; M134-Y234 HydrophobicContact CG-CD2 4.16Å; M134-Y234 HydrophobicContact CG-CE1 4.17Å; M134-Y234 HydrophobicContact CG-CE2 4.1Å; M134-Y234 HydrophobicContact CG-CG 4.23Å; N137-Y234 HydrophobicContact CB-CE2 4.11Å; N137-Y234 WeakPolarHBondContact CB-OH 3.47Å; N137-Y234 PolarHBondContact ND2-OH 2.98Å; V138-Y234 HydrophobicContact CG2-CD2 4.15Å; V138-Y234 HydrophobicContact CG2-CE2 4.18Å; A230-Y234 PolarHBondContact O-N 3.32Å; Y234-W236 PolarHBondContact O-N 3.23Å
235G98.3Very high98Very high49 Ų4940.1 Ų40.151%0.50520%0.198SC..  trans62.523.4-167.900000112.7I231 T237I231-G235 VanDerWaalsContact O-CA 3.26Å; I231-G235 WeakPolarHBondContact O-CA 3.42Å; I231-G235 PolarHBondContact O-N 2.61Å; G235-T237 VanDerWaalsContact C-N 3.35Å; G235-T237 PolarHBondContact O-N 2.61Å
236W97.9Very high98Very high18 Ų1839.3 Ų39.37%0.06819%0.194CC..  trans-80.779-175.4-172.72.1000110.8F127 K131 M134 F135 A230 Y234 D238 F239F127-W236 HydrophobicContact CE2-CH2 4.1Å; F127-W236 HydrophobicContact CE2-CZ2 4.48Å; F127-W236 HydrophobicContact CZ-CZ2 4.47Å; K131-W236 HydrophobicContact CD-CH2 4.49Å; K131-W236 HydrophobicContact CD-CZ2 4.33Å; K131-W236 HydrophobicContact CG-CH2 3.89Å; K131-W236 HydrophobicContact CG-CZ2 4.2Å; K131-W236 HydrophobicContact CG-CZ3 4.47Å; M134-W236 HydrophobicContact CB-CE3 4.19Å; M134-W236 HydrophobicContact CB-CZ3 3.98Å; M134-W236 HydrophobicContact CE-CB 4.46Å; M134-W236 HydrophobicContact CE-CD2 4.13Å; M134-W236 HydrophobicContact CE-CE3 3.71Å; M134-W236 HydrophobicContact CE-CG 4.44Å; M134-W236 HydrophobicContact CE-CZ3 4.36Å; F135-W236 HydrophobicContact CB-CH2 4.45Å; F135-W236 HydrophobicContact CB-CZ3 4.36Å; A230-W236 HydrophobicContact CB-CB 4.11Å; A230-W236 PolarHBondContact O-N 3.4Å; Y234-W236 PolarHBondContact O-N 3.23Å; W236-D238 PolarHBondContact NE1-OD1 3.22Å; W236-F239 HydrophobicContact CD2-CB 4.08Å; W236-F239 AromaticContact CD2-CD2 3.88Å; W236-F239 HydrophobicContact CD2-CD2 3.88Å; W236-F239 HydrophobicContact CD2-CG 4.49Å; W236-F239 AromaticContact CE3-CD2 3.71Å; W236-F239 HydrophobicContact CE3-CD2 3.71Å; W236-F239 HydrophobicContact CE3-CE2 4.45Å; W236-F239 HydrophobicContact CG-CB 4.04Å; W236-F239 AromaticContact CH2-CD2 3.87Å; W236-F239 HydrophobicContact CH2-CD2 3.87Å; W236-F239 HydrophobicContact CH2-CE2 4.24Å; W236-F239 HydrophobicContact CZ2-CD2 4.01Å; W236-F239 AromaticContact CZ3-CD2 3.73Å; W236-F239 HydrophobicContact CZ3-CD2 3.73Å; W236-F239 HydrophobicContact CZ3-CE2 4.1Å; W236-F239 WeakPolarHBondContact O-CB 2.76Å; W236-F239 PolarHBondContact O-N 3.4Å
237T96.2Very high97.9Very high87 Ų8739.3 Ų39.353%0.53419%0.194SC..THydrogen-bonded Turntrans-72.3-25.7-172.154.30000114.9I231 G235I231-T237 HydrophobicContact CG1-CG2 4.22Å; G235-T237 VanDerWaalsContact C-N 3.35Å; G235-T237 PolarHBondContact O-N 2.61Å
238D96.5Very high97.8Very high83 Ų8338.9 Ų38.944%0.44419%0.194SC..THydrogen-bonded Turntrans-95.919.5176.173.4-24.5000113.2Y119 W236 T240Y119-D238 HydrophobicContact CD1-CB 4.45Å; W236-D238 PolarHBondContact NE1-OD1 3.22Å; D238-T240 PolarHBondContact O-N 3.34Å
239F98.4Very high97.7Very high0 Ų034.7 Ų34.70%018%0.176CC..  trans-55130.9177.5176.2-83.5000111.8F135 V138 L226 R227 A230 W236 I241F135-F239 AromaticContact CD2-CE2 3.9Å; F135-F239 HydrophobicContact CD2-CE2 3.9Å; F135-F239 HydrophobicContact CD2-CZ 4.14Å; F135-F239 HydrophobicContact CE2-CE2 4.44Å; F135-F239 HydrophobicContact CE2-CZ 4.21Å; V138-F239 HydrophobicContact CB-CE2 4.24Å; V138-F239 HydrophobicContact CG1-CD2 4.43Å; V138-F239 HydrophobicContact CG1-CE2 3.73Å; V138-F239 HydrophobicContact CG1-CZ 3.85Å; V138-F239 HydrophobicContact CG2-CE2 4.47Å; L226-F239 HydrophobicContact CB-CD1 4.22Å; L226-F239 HydrophobicContact CB-CE1 3.37Å; L226-F239 HydrophobicContact CB-CZ 3.77Å; L226-F239 HydrophobicContact CD1-CE1 4.29Å; L226-F239 HydrophobicContact CD1-CZ 4.22Å; L226-F239 HydrophobicContact CG-CE1 4.47Å; R227-F239 HydrophobicContact CB-CB 4.41Å; R227-F239 HydrophobicContact CB-CD1 4.06Å; R227-F239 HydrophobicContact CG-CB 4.25Å; R227-F239 PolarHBondContact NE-O 2.93Å; R227-F239 PolarHBondContact NH2-O 2.51Å; A230-F239 HydrophobicContact CB-CB 3.6Å; A230-F239 HydrophobicContact CB-CD1 4.35Å; A230-F239 HydrophobicContact CB-CD2 3.54Å; A230-F239 HydrophobicContact CB-CE2 4.31Å; A230-F239 HydrophobicContact CB-CG 3.56Å; W236-F239 HydrophobicContact CD2-CB 4.08Å; W236-F239 AromaticContact CD2-CD2 3.88Å; W236-F239 HydrophobicContact CD2-CD2 3.88Å; W236-F239 HydrophobicContact CD2-CG 4.49Å; W236-F239 AromaticContact CE3-CD2 3.71Å; W236-F239 HydrophobicContact CE3-CD2 3.71Å; W236-F239 HydrophobicContact CE3-CE2 4.45Å; W236-F239 HydrophobicContact CG-CB 4.04Å; W236-F239 AromaticContact CH2-CD2 3.87Å; W236-F239 HydrophobicContact CH2-CD2 3.87Å; W236-F239 HydrophobicContact CH2-CE2 4.24Å; W236-F239 HydrophobicContact CZ2-CD2 4.01Å; W236-F239 AromaticContact CZ3-CD2 3.73Å; W236-F239 HydrophobicContact CZ3-CD2 3.73Å; W236-F239 HydrophobicContact CZ3-CE2 4.1Å; W236-F239 WeakPolarHBondContact O-CB 2.76Å; W236-F239 PolarHBondContact O-N 3.4Å; F239-I241 HydrophobicContact CE1-CG1 4.26Å
240T98.6Very high97.4Very high3 Ų342.6 Ų42.62%0.01821%0.21CC..  trans-134.3153.2169.161.90000109.7Y119 I120 R121 E223 D238 P242Y119-T240 VanDerWaalsContact CB-CG2 3.49Å; Y119-T240 HydrophobicContact CD1-CG2 4.29Å; Y119-T240 HydrophobicContact CG-CG2 4.21Å; I120-T240 PolarHBondContact O-OG1 3.32Å; R121-T240 HydrophobicContact CG-CG2 4.26Å; E223-T240 VanDerWaalsContact OE2-CA 3.31Å; E223-T240 WeakPolarHBondContact OE2-CA 3.23Å; E223-T240 WeakPolarHBondContact OE2-CB 3.48Å; D238-T240 PolarHBondContact O-N 3.34Å; T240-P242 WeakPolarHBondContact O-CD 3.25Å
241I98.7Very high97.1Very high0 Ų049.8 Ų49.80%024%0.238CC..PPolyproline II helixtrans-68.5123.5169.9-59.6172.3000107.8R121 M219 W222 E223 L226 F239 L392 T396R121-I241 WeakPolarHBondContact CG-O 3.19Å; M219-I241 HydrophobicContact CE-CB 4.45Å; M219-I241 HydrophobicContact CE-CD1 3.52Å; M219-I241 HydrophobicContact CE-CG2 3.92Å; W222-I241 HydrophobicContact CB-CD1 4.26Å; E223-I241 HydrophobicContact CB-CD1 3.71Å; E223-I241 HydrophobicContact CB-CG1 3.89Å; E223-I241 HydrophobicContact CG-CD1 4.43Å; E223-I241 HydrophobicContact CG-CG1 4.06Å; E223-I241 PolarHBondContact OE2-N 3.36Å; L226-I241 HydrophobicContact CD1-CD1 4.02Å; L226-I241 HydrophobicContact CD1-CG1 3.97Å; F239-I241 HydrophobicContact CE1-CG1 4.26Å; I241-L392 HydrophobicContact CD1-CD2 4.11Å; I241-L392 HydrophobicContact CG2-CB 3.85Å; I241-L392 WeakPolarHBondContact CG2-O 3.05Å; I241-T396 VanDerWaalsContact CG2-OG1 3.28Å; I241-T396 WeakPolarHBondContact CG2-OG1 3.44Å; I241-T396 WeakPolarHBondContact O-CG2 3.47Å
242P98.8Very high97Very high0 Ų046.3 Ų46.30%022%0.22CC..PPolyproline II helixtrans-78.7162.8178.534.5-35.3000110.9Y122 I124 F127 F135 T240 V393Y122-P242 CarbonylContact O-C 3.58Å; Y122-P242 WeakPolarHBondContact O-CA 3.43Å; Y122-P242 WeakPolarHBondContact O-CB 3.4Å; I124-P242 HydrophobicContact CB-CB 3.83Å; I124-P242 HydrophobicContact CB-CG 3.85Å; I124-P242 HydrophobicContact CD1-CG 3.82Å; I124-P242 HydrophobicContact CG1-CB 4.28Å; I124-P242 HydrophobicContact CG1-CG 3.83Å; F127-P242 HydrophobicContact CE2-CB 3.98Å; F127-P242 HydrophobicContact CE2-CG 4.12Å; F127-P242 HydrophobicContact CZ-CB 4.06Å; F135-P242 HydrophobicContact CD2-CG 4.06Å; F135-P242 HydrophobicContact CE1-CG 4.4Å; F135-P242 HydrophobicContact CE2-CG 3.79Å; F135-P242 HydrophobicContact CZ-CG 3.96Å; T240-P242 WeakPolarHBondContact O-CD 3.25Å; P242-V393 HydrophobicContact CG-CG1 4.22Å; P242-V393 WeakPolarHBondContact O-CA 3.28Å
243Y98.8Very high96.8Very high2 Ų237.8 Ų37.81%0.00819%0.19CC..BIsolated β-bridgetrans-100.3157.8172.765-93.4000112.2Y122 N123 I124 D245 R400 Y454 D455Y122-Y243 VanDerWaalsContact C-CD1 3.41Å; Y122-Y243 WeakPolarHBondContact O-CD1 3.26Å; Y122-Y243 PolarHBondContact O-N 3.31Å; N123-Y243 CarbonylContact C-O 3.58Å; N123-Y243 WeakPolarHBondContact CA-O 2.78Å; N123-Y243 HydrophobicContact CB-CD2 4.23Å; N123-Y243 HydrophobicContact CB-CE1 4.24Å; N123-Y243 HydrophobicContact CB-CE2 3.55Å; I124-Y243 PolarHBondContact N-O 2.98Å; Y243-D245 HydrophobicContact CD2-CB 4.34Å; Y243-D245 HydrophobicContact CE2-CB 4.12Å; Y243-R400 PolarHBondContact OH-NH2 3Å; Y243-Y454 AromaticContact CD1-CD1 3.77Å; Y243-Y454 HydrophobicContact CD1-CD1 3.77Å; Y243-Y454 HydrophobicContact CD1-CE1 4.12Å; Y243-Y454 HydrophobicContact CE1-CD1 4.02Å; Y243-D455 WeakPolarHBondContact CE1-OD1 3.46Å; Y243-D455 PolarHBondContact OH-OD1 2.99Å
244W98.1Very high96.7Very high0 Ų035.5 Ų35.50%018%0.178CC..  trans-111.1111.6168167.731.8000109.7I124 W246 C252 V254 F317 V371 L390 V393 Q397I124-W244 HydrophobicContact CG2-CB 4.38Å; W244-W246 HydrophobicContact CD2-CB 4.02Å; W244-W246 HydrophobicContact CE3-CB 4.42Å; W244-W246 HydrophobicContact CH2-CB 4.19Å; W244-W246 HydrophobicContact CZ2-CB 3.71Å; W244-W246 VanDerWaalsContact O-CD1 3.28Å; W244-W246 PolarHBondContact O-N 2.95Å; W244-C252 HydrophobicContact CH2-CB 4.09Å; W244-C252 HydrophobicContact CZ2-CB 4.34Å; W244-V254 HydrophobicContact CB-CG1 4.11Å; W244-V254 HydrophobicContact CD2-CG1 4.13Å; W244-V254 HydrophobicContact CD2-CG2 3.58Å; W244-V254 HydrophobicContact CE3-CG2 3.72Å; W244-V254 HydrophobicContact CG-CG1 3.68Å; W244-V254 HydrophobicContact CG-CG2 4.01Å; W244-V254 HydrophobicContact CH2-CG2 4.36Å; W244-V254 HydrophobicContact CZ2-CG2 4.29Å; W244-V254 HydrophobicContact CZ3-CG2 4.11Å; W244-F317 HydrophobicContact CH2-CD1 4.17Å; W244-F317 AromaticContact CH2-CE1 3.42Å; W244-F317 HydrophobicContact CH2-CE1 3.42Å; W244-F317 VanDerWaalsContact CH2-CE1 3.42Å; W244-F317 AromaticContact CH2-CZ 3.88Å; W244-F317 HydrophobicContact CH2-CZ 3.88Å; W244-F317 HydrophobicContact CZ2-CD1 4.4Å; W244-F317 AromaticContact CZ2-CE1 3.94Å; W244-F317 HydrophobicContact CZ2-CE1 3.94Å; W244-F317 HydrophobicContact CZ2-CZ 4.26Å; W244-F317 HydrophobicContact CZ3-CE1 4.38Å; W244-V371 HydrophobicContact CH2-CG1 4.45Å; W244-V371 HydrophobicContact CZ3-CG1 4.03Å; W244-L390 HydrophobicContact CE3-CD2 4.38Å; W244-L390 HydrophobicContact CZ3-CD2 4.18Å; W244-V393 HydrophobicContact CB-CB 3.76Å; W244-V393 HydrophobicContact CB-CG2 3.63Å; W244-V393 HydrophobicContact CE3-CG2 4.26Å; W244-V393 HydrophobicContact CG-CG2 4.49Å; W244-V393 PolarHBondContact N-O 2.99Å; W244-Q397 WeakPolarHBondContact O-CB 3.17Å; W244-Q397 WeakPolarHBondContact O-CG 3.24Å
245D97.7Very high96.7Very high24 Ų2431.2 Ų31.213%0.12816%0.162CC..  trans-77.386.7174.4-169.318.6000110.8Y243 V247 Q397 F459 G460Y243-D245 HydrophobicContact CD2-CB 4.34Å; Y243-D245 HydrophobicContact CE2-CB 4.12Å; D245-V247 VanDerWaalsContact C-N 3.25Å; D245-V247 PolarHBondContact O-N 2.85Å; D245-V247 WeakPolarHBondContact OD1-CG2 3.45Å; D245-Q397 PolarHBondContact OD1-NE2 3.12Å; D245-F459 WeakPolarHBondContact OD2-CA 3.16Å; D245-G460 PolarHBondContact OD1-N 2.92Å; D245-G460 PolarHBondContact OD2-N 2.85Å
246W96.9Very high96.6Very high0 Ų031.4 Ų31.40%015%0.153CC..  trans-80.1-2178.547.8-109.6000113.5W244 D248 S249 F317 P318 M367 V371 H394 Q397 I398 I401W244-W246 HydrophobicContact CD2-CB 4.02Å; W244-W246 HydrophobicContact CE3-CB 4.42Å; W244-W246 HydrophobicContact CH2-CB 4.19Å; W244-W246 HydrophobicContact CZ2-CB 3.71Å; W244-W246 VanDerWaalsContact O-CD1 3.28Å; W244-W246 PolarHBondContact O-N 2.95Å; W246-D248 PolarHBondContact O-N 3.05Å; W246-S249 VanDerWaalsContact O-CB 3.28Å; W246-S249 WeakPolarHBondContact O-CB 3.41Å; W246-S249 PolarHBondContact O-N 3.37Å; W246-F317 HydrophobicContact CB-CD1 4.07Å; W246-P318 HydrophobicContact CE3-CB 4.09Å; W246-P318 VanDerWaalsContact CE3-CD 3.46Å; W246-P318 HydrophobicContact CE3-CG 3.69Å; W246-P318 HydrophobicContact CH2-CB 3.96Å; W246-P318 HydrophobicContact CH2-CG 3.63Å; W246-P318 HydrophobicContact CZ2-CG 4.45Å; W246-P318 HydrophobicContact CZ3-CB 3.36Å; W246-P318 HydrophobicContact CZ3-CG 3.23Å; W246-M367 HydrophobicContact CH2-CE 3.94Å; W246-M367 HydrophobicContact CH2-SD 4.15Å; W246-V371 HydrophobicContact CD2-CG2 3.65Å; W246-V371 HydrophobicContact CE3-CG2 4.15Å; W246-V371 HydrophobicContact CG-CG2 3.95Å; W246-V371 HydrophobicContact CZ2-CG2 4.07Å; W246-H394 AromaticContact CD1-ND1 3.78Å; W246-H394 AromaticContact NE1-CE1 3.61Å; W246-H394 AromaticContact NE1-ND1 3.24Å; W246-H394 PolarHBondContact NE1-ND1 3.47Å; W246-Q397 HydrophobicContact CZ2-CG 4.26Å; W246-I398 HydrophobicContact CZ2-CD1 3.86Å; W246-I401 HydrophobicContact CH2-CD1 4.18Å; W246-I401 HydrophobicContact CZ2-CD1 4.24Å
247V96.7Very high96.5Very high0 Ų032.5 Ų32.50%016%0.16CC..THydrogen-bonded Turntrans-63.9126.4-176.3-179.70000109.5D245 S249 P318 L323 F459 G460D245-V247 VanDerWaalsContact C-N 3.25Å; D245-V247 PolarHBondContact O-N 2.85Å; D245-V247 WeakPolarHBondContact OD1-CG2 3.45Å; V247-S249 PolarHBondContact O-N 2.91Å; V247-P318 WeakPolarHBondContact CA-O 3.39Å; V247-L323 HydrophobicContact CG2-CD2 4.49Å; V247-F459 HydrophobicContact CG2-CB 4.38Å; V247-F459 HydrophobicContact CG2-CD1 4.25Å; V247-G460 WeakPolarHBondContact O-CA 3.12Å
248D95.4Very high96.5Very high22 Ų2232.5 Ų32.512%0.11816%0.164CC..THydrogen-bonded Turntrans61.315.5-173.4-49.7-49.1000115W246 P318 T319 T320 K461 R462W246-D248 PolarHBondContact O-N 3.05Å; D248-P318 PolarHBondContact N-O 2.83Å; D248-T319 VanDerWaalsContact OD1-CA 3.28Å; D248-T319 WeakPolarHBondContact OD1-CA 3.49Å; D248-T320 PolarHBondContact OD1-N 2.79Å; D248-T320 PolarHBondContact OD2-OG1 3.2Å; D248-K461 HydrophobicContact CB-CB 4.34Å; D248-R462 IonicContact OD1-NE 2.87Å; D248-R462 WeakPolarHBondContact OD2-CG 3.38Å; D248-R462 PolarHBondContact OD2-N 3.48Å
249S94.6Very high96.6Very high6 Ų628.6 Ų28.64%0.04214%0.143CC..  trans-67139.1171.9-80.80000110.8W246 V247 R251 D253 F317W246-S249 VanDerWaalsContact O-CB 3.28Å; W246-S249 WeakPolarHBondContact O-CB 3.41Å; W246-S249 PolarHBondContact O-N 3.37Å; V247-S249 PolarHBondContact O-N 2.91Å; S249-R251 WeakPolarHBondContact CB-O 3.25Å; S249-D253 PolarHBondContact OG-OD2 3.49Å; S249-F317 WeakPolarHBondContact O-CB 3.39Å; S249-F317 WeakPolarHBondContact O-CD2 3.34Å
250K91.9Very high96.5Very high176 Ų17628.6 Ų28.677%0.76514%0.143SC*.SBendtrans-97.2-1.2175.6-61.6-172.6178.1-175.20112.9T315K250-T315 VanDerWaalsContact O-CB 3.3Å; K250-T315 WeakPolarHBondContact O-CB 3.48Å
251R92.8Very high96.5Very high151 Ų15128.5 Ų28.557%0.5714%0.142SC*.SBendtrans-163.8168.3-179.164.6179.2-174.9169.4-2.2108.8S249 D253S249-R251 WeakPolarHBondContact CB-O 3.25Å; R251-D253 WeakPolarHBondContact CG-OD1 3.4Å; R251-D253 IonicContact NE-OD1 2.92Å; R251-D253 PolarHBondContact NE-OD1 2.69Å; R251-D253 VanDerWaalsContact NE-OD1 3.11Å; R251-D253 PolarHBondContact O-N 3.3Å
252C95.3Very high96.2Very high4 Ų428.8 Ų28.83%0.02715%0.145CC..  trans-72.191.3169.2-179.50000110.4W244 V254 C255 F312 F317W244-C252 HydrophobicContact CH2-CB 4.09Å; W244-C252 HydrophobicContact CZ2-CB 4.34Å; C252-V254 PolarHBondContact O-N 3.31Å; C252-V254 VanDerWaalsContact O-N 3.13Å; C252-C255 HydrophobicContact CB-CB 3.57Å; C252-C255 WeakPolarHBondContact CB-SG 3.24Å; C252-C255 PolarHBondContact O-N 3.46Å; C252-C255 VanDerWaalsContact O-N 3.08Å; C252-C255 WeakPolarHBondContact SG-CB 3.43Å; C252-C255 PolarHBondContact SG-N 2.98Å; C252-C255 CovalentContact SG-SG 2.03Å; C252-C255 PolarHBondContact SG-SG 3.1Å; C252-F312 HydrophobicContact CB-CD1 4.36Å; C252-F312 HydrophobicContact CB-CE1 3.63Å; C252-F317 HydrophobicContact CB-CZ 4.19Å
253D94.4Very high95.8Very high27 Ų2733.1 Ų33.114%0.14416%0.162CC..THydrogen-bonded Turntrans-65.2-16.3-175.1-69.6-38.7000113.3L125 S249 R251 K461L125-D253 HydrophobicContact CD1-CB 4.2Å; S249-D253 PolarHBondContact OG-OD2 3.49Å; R251-D253 WeakPolarHBondContact CG-OD1 3.4Å; R251-D253 IonicContact NE-OD1 2.92Å; R251-D253 PolarHBondContact NE-OD1 2.69Å; R251-D253 VanDerWaalsContact NE-OD1 3.11Å; R251-D253 PolarHBondContact O-N 3.3Å; D253-K461 IonicContact OD2-NZ 3.7Å; D253-K461 PolarHBondContact OD2-NZ 3Å
254V97.3Very high95.5Very high0 Ų033.6 Ų33.60%017%0.168CC..THydrogen-bonded Turntrans-97.5-10.5176.6-63.30000113.9I124 L125 W244 C252 V256 L259 L260 L390I124-V254 HydrophobicContact CG2-CG1 3.63Å; L125-V254 HydrophobicContact CD2-CG1 4Å; L125-V254 HydrophobicContact CG-CG1 4.39Å; W244-V254 HydrophobicContact CB-CG1 4.11Å; W244-V254 HydrophobicContact CD2-CG1 4.13Å; W244-V254 HydrophobicContact CD2-CG2 3.58Å; W244-V254 HydrophobicContact CE3-CG2 3.72Å; W244-V254 HydrophobicContact CG-CG1 3.68Å; W244-V254 HydrophobicContact CG-CG2 4.01Å; W244-V254 HydrophobicContact CH2-CG2 4.36Å; W244-V254 HydrophobicContact CZ2-CG2 4.29Å; W244-V254 HydrophobicContact CZ3-CG2 4.11Å; C252-V254 PolarHBondContact O-N 3.31Å; C252-V254 VanDerWaalsContact O-N 3.13Å; V254-V256 PolarHBondContact O-N 3.35Å; V254-L259 HydrophobicContact CB-CD2 3.78Å; V254-L259 HydrophobicContact CG1-CD2 3.83Å; V254-L260 HydrophobicContact CB-CD1 4.24Å; V254-L260 HydrophobicContact CG2-CD1 4.07Å; V254-L260 PolarHBondContact O-N 3.3Å; V254-L260 VanDerWaalsContact O-N 3.11Å; V254-L390 HydrophobicContact CG2-CD2 3.47Å; V254-L390 VanDerWaalsContact CG2-CD2 3.47Å
255C96.6Very high95.2Very high3 Ų339 Ų392%0.0219%0.193CC..  trans-82.668179.7-63.50000110.8C252 G261 G262 F312C252-C255 HydrophobicContact CB-CB 3.57Å; C252-C255 WeakPolarHBondContact CB-SG 3.24Å; C252-C255 PolarHBondContact O-N 3.46Å; C252-C255 VanDerWaalsContact O-N 3.08Å; C252-C255 WeakPolarHBondContact SG-CB 3.43Å; C252-C255 PolarHBondContact SG-N 2.98Å; C252-C255 CovalentContact SG-SG 2.03Å; C252-C255 PolarHBondContact SG-SG 3.1Å; C255-G261 CarbonylContact C-O 3.57Å; C255-G261 WeakPolarHBondContact CA-O 3.41Å; C255-G261 WeakPolarHBondContact CB-O 3.23Å; C255-G262 WeakPolarHBondContact O-CA 3.29Å; C255-F312 HydrophobicContact CB-CE1 4.26Å; C255-F312 HydrophobicContact CB-CZ 3.96Å; C255-F312 VanDerWaalsContact SG-CE1 3.59Å; C255-F312 VanDerWaalsContact SG-CZ 3.58Å
256V96.9Very high95.1Very high54 Ų5444.5 Ų44.533%0.32721%0.212SC..SBendtrans-133.7151.4176.4-65.50000109.5V254 S258 L259 L260 G261V254-V256 PolarHBondContact O-N 3.35Å; V256-S258 WeakPolarHBondContact CG2-OG 3.31Å; V256-S258 PolarHBondContact O-N 3.39Å; V256-S258 VanDerWaalsContact O-N 3.14Å; V256-L259 HydrophobicContact CG2-CB 3.87Å; V256-L259 CarbonylContact O-C 3.53Å; V256-L259 WeakPolarHBondContact O-CA 3.44Å; V256-L259 PolarHBondContact O-N 2.98Å; V256-L260 PolarHBondContact O-N 2.83Å; V256-G261 PolarHBondContact N-O 2.97Å; V256-G261 PolarHBondContact O-N 3.04Å
257N96.9Very high94.8Very high40 Ų4048.4 Ų48.421%0.21424%0.236CC..THydrogen-bonded Turntrans-64.9-20.9-174.2-63.8-26.1000114.2L259 G262 D274 R276N257-L259 PolarHBondContact O-N 3.31Å; N257-G262 WeakPolarHBondContact OD1-CA 3.41Å; N257-G262 PolarHBondContact OD1-N 2.85Å; N257-D274 PolarHBondContact ND2-OD1 2.95Å; N257-D274 PolarHBondContact ND2-OD2 3.26Å; N257-D274 VanDerWaalsContact OD1-CB 3.27Å; N257-D274 WeakPolarHBondContact OD1-CB 3.26Å; N257-R276 HydrophobicContact CB-CB 4.16Å; N257-R276 VanDerWaalsContact ND2-CZ 3.35Å; N257-R276 PolarHBondContact ND2-NE 3.11Å; N257-R276 PolarHBondContact ND2-NH2 3.29Å
258S96.3Very high94.6Very high87 Ų8751.9 Ų51.961%0.60827%0.272SS*.THydrogen-bonded Turntrans-78.6-5.2172.553.60000113.8V256V256-S258 WeakPolarHBondContact CG2-OG 3.31Å; V256-S258 PolarHBondContact O-N 3.39Å; V256-S258 VanDerWaalsContact O-N 3.14Å
259L97.5Very high94.3Very high2 Ų259.3 Ų59.31%0.0131%0.306CS..THydrogen-bonded Turntrans-137.3-109.3-178.1-161.366.2000111.3I124 R132 V136 V254 V256 N257 G261 F279I124-L259 HydrophobicContact CD1-CD1 3.74Å; I124-L259 HydrophobicContact CD1-CD2 3.86Å; I124-L259 HydrophobicContact CD1-CG 4Å; I124-L259 HydrophobicContact CG1-CD1 4Å; I124-L259 HydrophobicContact CG1-CD2 4.02Å; I124-L259 HydrophobicContact CG1-CG 4.49Å; I124-L259 HydrophobicContact CG2-CD2 4.29Å; R132-L259 HydrophobicContact CB-CD1 3.75Å; R132-L259 HydrophobicContact CG-CD1 3.82Å; V136-L259 HydrophobicContact CG2-CD1 4.26Å; V136-L259 VanDerWaalsContact CG2-O 3.23Å; V136-L259 WeakPolarHBondContact CG2-O 3.14Å; V254-L259 HydrophobicContact CB-CD2 3.78Å; V254-L259 HydrophobicContact CG1-CD2 3.83Å; V256-L259 HydrophobicContact CG2-CB 3.87Å; V256-L259 CarbonylContact O-C 3.53Å; V256-L259 WeakPolarHBondContact O-CA 3.44Å; V256-L259 PolarHBondContact O-N 2.98Å; N257-L259 PolarHBondContact O-N 3.31Å; L259-G261 VanDerWaalsContact C-N 3.33Å; L259-G261 PolarHBondContact O-N 2.94Å; L259-F279 VanDerWaalsContact O-CE2 3.31Å; L259-F279 WeakPolarHBondContact O-CE2 3.3Å
260L97.4Very high94.2Very high0 Ų061.5 Ų61.50%032%0.319CS..THydrogen-bonded Turntrans-92.617.7-172.1-62.1-176000114.2F135 V254 V256 F279 R310 P389 L390 V393F135-L260 HydrophobicContact CE1-CD2 4Å; V254-L260 HydrophobicContact CB-CD1 4.24Å; V254-L260 HydrophobicContact CG2-CD1 4.07Å; V254-L260 PolarHBondContact O-N 3.3Å; V254-L260 VanDerWaalsContact O-N 3.11Å; V256-L260 PolarHBondContact O-N 2.83Å; L260-F279 HydrophobicContact CD2-CE2 4.16Å; L260-F279 HydrophobicContact CD2-CZ 4.4Å; L260-R310 VanDerWaalsContact O-CZ 3.25Å; L260-R310 PolarHBondContact O-NH1 3.43Å; L260-R310 PolarHBondContact O-NH2 3.2Å; L260-P389 HydrophobicContact CD2-CB 3.91Å; L260-L390 HydrophobicContact CB-CD2 4.24Å; L260-L390 HydrophobicContact CD1-CD2 3.71Å; L260-L390 HydrophobicContact CD1-CG 4.4Å; L260-V393 HydrophobicContact CD1-CB 4.5Å; L260-V393 HydrophobicContact CD1-CG1 4.07Å; L260-V393 HydrophobicContact CD1-CG2 3.55Å
261G96.8Very high94.3Very high0 Ų055.5 Ų55.50%029%0.292CS..  trans89129.8177.300000113.3C255 V256 L259 S277 R310C255-G261 CarbonylContact C-O 3.57Å; C255-G261 WeakPolarHBondContact CA-O 3.41Å; C255-G261 WeakPolarHBondContact CB-O 3.23Å; V256-G261 PolarHBondContact N-O 2.97Å; V256-G261 PolarHBondContact O-N 3.04Å; L259-G261 VanDerWaalsContact C-N 3.33Å; L259-G261 PolarHBondContact O-N 2.94Å; G261-S277 WeakPolarHBondContact CA-OG 3.24Å; G261-R310 PolarHBondContact O-NH1 3.22Å
262G94.1Very high94.5Very high7 Ų749 Ų497%0.07227%0.268CS..  trans-82.5178.5177.500000113.3C255 N257 G264 D274C255-G262 WeakPolarHBondContact O-CA 3.29Å; N257-G262 WeakPolarHBondContact OD1-CA 3.41Å; N257-G262 PolarHBondContact OD1-N 2.85Å; G262-G264 PolarHBondContact O-N 3.44Å; G262-D274 WeakPolarHBondContact O-CB 3.37Å; G262-D274 PolarHBondContact O-N 3.39Å
263Y90.3Very high94.5Very high90 Ų9049 Ų4935%0.35327%0.268SS..EExtended strand (participates in β ladder)trans-64.2116.7174.7-54.1-88.5000110.9F312Y263-F312 AromaticContact CD1-CD2 3.31Å; Y263-F312 HydrophobicContact CD1-CD2 3.31Å; Y263-F312 AromaticContact CD1-CE2 3.18Å; Y263-F312 HydrophobicContact CD1-CE2 3.18Å; Y263-F312 HydrophobicContact CD1-CG 4.05Å; Y263-F312 AromaticContact CD1-CZ 3.87Å; Y263-F312 HydrophobicContact CD1-CZ 3.87Å; Y263-F312 HydrophobicContact CE1-CB 4.11Å; Y263-F312 AromaticContact CE1-CD1 3.73Å; Y263-F312 HydrophobicContact CE1-CD1 3.73Å; Y263-F312 AromaticContact CE1-CD2 3.13Å; Y263-F312 HydrophobicContact CE1-CD2 3.13Å; Y263-F312 AromaticContact CE1-CE1 3.79Å; Y263-F312 HydrophobicContact CE1-CE1 3.79Å; Y263-F312 AromaticContact CE1-CE2 3.18Å; Y263-F312 HydrophobicContact CE1-CE2 3.18Å; Y263-F312 AromaticContact CE1-CG 3.38Å; Y263-F312 HydrophobicContact CE1-CG 3.38Å; Y263-F312 AromaticContact CE1-CZ 3.51Å; Y263-F312 HydrophobicContact CE1-CZ 3.51Å; Y263-F312 HydrophobicContact CG-CE2 4.22Å
264G92.5Very high94.6Very high12 Ų1248.4 Ų48.412%0.12427%0.265CS..EExtended strand (participates in β ladder)trans-88.7-177.9172.900000113.2G262 L272 D274G262-G264 PolarHBondContact O-N 3.44Å; G264-L272 WeakPolarHBondContact CA-O 3.46Å; G264-L272 PolarHBondContact N-O 3.32Å; G264-D274 VanDerWaalsContact CA-CA 3.46Å
265Q91Very high94.6Very high114 Ų11451.7 Ų51.753%0.53329%0.286SS..EExtended strand (participates in β ladder)trans-68.9155.3175.265.1-173.8-11.200111.8V267 L272Q265-V267 HydrophobicContact CG-CG2 4.22Å; Q265-L272 PolarHBondContact O-N 2.61Å
266W94.6Very high94.7Very high139 Ų13960.5 Ų60.553%0.52732%0.319SS..EExtended strand (participates in β ladder)trans-80.4134.3165-7093.4000109.6Q269 T270 R271 Y311W266-Q269 WeakPolarHBondContact CZ3-O 3.2Å; W266-T270 CarbonylContact C-O 3.58Å; W266-T270 WeakPolarHBondContact CA-O 3.41Å; W266-R271 HydrophobicContact CD2-CB 3.8Å; W266-R271 HydrophobicContact CD2-CG 4.16Å; W266-R271 HydrophobicContact CE3-CB 3.71Å; W266-R271 HydrophobicContact CH2-CB 3.88Å; W266-R271 HydrophobicContact CZ2-CB 3.97Å; W266-R271 HydrophobicContact CZ2-CG 4.25Å; W266-R271 HydrophobicContact CZ3-CB 3.75Å; W266-Y311 AromaticContact CH2-CD1 3.51Å; W266-Y311 HydrophobicContact CH2-CD1 3.51Å; W266-Y311 HydrophobicContact CH2-CE1 4.15Å; W266-Y311 HydrophobicContact CH2-CG 4.4Å; W266-Y311 AromaticContact CZ3-CD1 3.59Å; W266-Y311 HydrophobicContact CZ3-CD1 3.59Å; W266-Y311 AromaticContact CZ3-CE1 3.74Å; W266-Y311 HydrophobicContact CZ3-CE1 3.74Å
267V92Very high94.7Very high83 Ų8358.1 Ų58.150%0.50331%0.305SS..EExtended strand (participates in β ladder)trans-119.8101.8168.9-178.10000106.4Q265 Q269 T270 L272Q265-V267 HydrophobicContact CG-CG2 4.22Å; V267-Q269 PolarHBondContact O-N 3.26Å; V267-T270 PolarHBondContact N-O 3.49Å; V267-T270 WeakPolarHBondContact O-CB 3.47Å; V267-T270 PolarHBondContact O-N 2.92Å; V267-L272 HydrophobicContact CG2-CD1 3.71Å; V267-L272 HydrophobicContact CG2-CG 4.31Å
268G91.8Very high94.7Very high73 Ų7359 Ų5975%0.75331%0.313SS*.THydrogen-bonded Turntrans59.4-126.3-165.700000111T270G268-T270 VanDerWaalsContact C-N 3.32Å
269Q89.9Confident94.7Very high177 Ų17754.9 Ų54.983%0.82728%0.284SS*.THydrogen-bonded Turntrans-90.38.8176.2-62.7179.6-1.400113.4W266 V267W266-Q269 WeakPolarHBondContact CZ3-O 3.2Å; V267-Q269 PolarHBondContact O-N 3.26Å
270T91.5Very high94.7Very high53 Ų5358.5 Ų58.533%0.32530%0.298SS..EExtended strand (participates in β ladder)trans-106.7127.4-176.3-58.90000110.4W266 V267 G268 L272 T309W266-T270 CarbonylContact C-O 3.58Å; W266-T270 WeakPolarHBondContact CA-O 3.41Å; V267-T270 PolarHBondContact N-O 3.49Å; V267-T270 WeakPolarHBondContact O-CB 3.47Å; V267-T270 PolarHBondContact O-N 2.92Å; G268-T270 VanDerWaalsContact C-N 3.32Å; T270-L272 HydrophobicContact CG2-CD2 3.95Å; T270-T309 HydrophobicContact CG2-CG2 3.32Å
271R94.8Very high94.5Very high49 Ų4963.6 Ų63.619%0.18532%0.323CS..EExtended strand (participates in β ladder)trans-102.3110.6177.2-170.4171.3-173.5-176.79.8109.2W266 T309 R310 Y311W266-R271 HydrophobicContact CD2-CB 3.8Å; W266-R271 HydrophobicContact CD2-CG 4.16Å; W266-R271 HydrophobicContact CE3-CB 3.71Å; W266-R271 HydrophobicContact CH2-CB 3.88Å; W266-R271 HydrophobicContact CZ2-CB 3.97Å; W266-R271 HydrophobicContact CZ2-CG 4.25Å; W266-R271 HydrophobicContact CZ3-CB 3.75Å; R271-T309 VanDerWaalsContact O-CA 3.27Å; R271-T309 WeakPolarHBondContact O-CA 3.07Å; R271-T309 WeakPolarHBondContact O-CB 3.16Å; R271-R310 WeakPolarHBondContact CB-O 3.33Å; R271-R310 WeakPolarHBondContact CD-O 3.13Å; R271-R310 WeakPolarHBondContact CG-O 3.36Å; R271-R310 PolarHBondContact O-N 3.22Å; R271-Y311 HydrophobicContact CB-CD1 3.53Å; R271-Y311 HydrophobicContact CB-CE1 3.86Å; R271-Y311 PolarHBondContact NH1-O 3.35Å
272L95.8Very high94.5Very high16 Ų1664.2 Ų64.28%0.08433%0.325CS..EExtended strand (participates in β ladder)trans-80.6164.1-179.3-57.8-179.3000111G264 Q265 V267 T270 Y280 V307G264-L272 WeakPolarHBondContact CA-O 3.46Å; G264-L272 PolarHBondContact N-O 3.32Å; Q265-L272 PolarHBondContact O-N 2.61Å; V267-L272 HydrophobicContact CG2-CD1 3.71Å; V267-L272 HydrophobicContact CG2-CG 4.31Å; T270-L272 HydrophobicContact CG2-CD2 3.95Å; L272-Y280 HydrophobicContact CB-CE2 4.36Å; L272-Y280 HydrophobicContact CD1-CE2 4.01Å; L272-V307 HydrophobicContact CD2-CG2 3.58Å
273I96.5Very high94.6Very high2 Ų265.4 Ų65.41%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-67.2148.9161.4-61.6179.4000108.6F279 Y280 L308I273-F279 HydrophobicContact CD1-CB 4Å; I273-F279 HydrophobicContact CG2-CB 4.38Å; I273-Y280 WeakPolarHBondContact O-CD2 3.4Å; I273-L308 HydrophobicContact CD1-CB 3.76Å; I273-L308 HydrophobicContact CD1-CD1 3.89Å; I273-L308 HydrophobicContact CD1-CG 4.49Å; I273-L308 HydrophobicContact CG1-CB 4.41Å
274D97.1Very high94.8Very high15 Ų1561.5 Ų61.58%0.0832%0.317CS..PPolyproline II helixtrans-59.4133.7178.8-173.7-53000112.2N257 G262 G264 R276 S277N257-D274 PolarHBondContact ND2-OD1 2.95Å; N257-D274 PolarHBondContact ND2-OD2 3.26Å; N257-D274 VanDerWaalsContact OD1-CB 3.27Å; N257-D274 WeakPolarHBondContact OD1-CB 3.26Å; G262-D274 WeakPolarHBondContact O-CB 3.37Å; G262-D274 PolarHBondContact O-N 3.39Å; G264-D274 VanDerWaalsContact CA-CA 3.46Å; D274-R276 PolarHBondContact O-N 3.18Å; D274-R276 VanDerWaalsContact OD1-CB 3.25Å; D274-R276 WeakPolarHBondContact OD1-CB 3.49Å; D274-R276 WeakPolarHBondContact OD1-CG 3.26Å; D274-R276 IonicContact OD1-CZ 3.72Å; D274-R276 PolarHBondContact OD1-N 3.29Å; D274-R276 IonicContact OD1-NE 3.6Å; D274-R276 PolarHBondContact OD1-NE 3.33Å; D274-R276 IonicContact OD1-NH2 2.94Å; D274-R276 IonicContact OD2-CZ 2.74Å; D274-R276 VanDerWaalsContact OD2-CZ 3.32Å; D274-R276 IonicContact OD2-NE 3.16Å; D274-R276 PolarHBondContact OD2-NE 3.47Å; D274-R276 IonicContact OD2-NH2 3.82Å; D274-R276 PolarHBondContact OD2-NH2 3.16Å; D274-S277 WeakPolarHBondContact O-CB 3.26Å; D274-S277 PolarHBondContact O-N 2.96Å
275P96.9Very high94.9Very high69 Ų6962.2 Ų62.245%0.44832%0.316SS..THydrogen-bonded Turntrans-56.8-19.7179.7-26.834.9000116.1S277 Y280P275-S277 VanDerWaalsContact C-N 3.25Å; P275-Y280 HydrophobicContact CB-CD1 4.09Å; P275-Y280 HydrophobicContact CB-CD2 4.42Å; P275-Y280 HydrophobicContact CB-CE1 4.11Å; P275-Y280 HydrophobicContact CB-CE2 4.43Å; P275-Y280 HydrophobicContact CB-CG 4.25Å; P275-Y280 HydrophobicContact CG-CD2 4.23Å; P275-Y280 HydrophobicContact CG-CE1 4.34Å; P275-Y280 HydrophobicContact CG-CE2 3.93Å
276R97.3Very high94.9Very high188 Ų18856.8 Ų56.871%0.70929%0.291SS*.THydrogen-bonded Turntrans-76.8-13.6175.5-61.2172.2-71.2-178.6-3.4112.8N257 D274N257-R276 HydrophobicContact CB-CB 4.16Å; N257-R276 VanDerWaalsContact ND2-CZ 3.35Å; N257-R276 PolarHBondContact ND2-NE 3.11Å; N257-R276 PolarHBondContact ND2-NH2 3.29Å; D274-R276 PolarHBondContact O-N 3.18Å; D274-R276 VanDerWaalsContact OD1-CB 3.25Å; D274-R276 WeakPolarHBondContact OD1-CB 3.49Å; D274-R276 WeakPolarHBondContact OD1-CG 3.26Å; D274-R276 IonicContact OD1-CZ 3.72Å; D274-R276 PolarHBondContact OD1-N 3.29Å; D274-R276 IonicContact OD1-NE 3.6Å; D274-R276 PolarHBondContact OD1-NE 3.33Å; D274-R276 IonicContact OD1-NH2 2.94Å; D274-R276 IonicContact OD2-CZ 2.74Å; D274-R276 VanDerWaalsContact OD2-CZ 3.32Å; D274-R276 IonicContact OD2-NE 3.16Å; D274-R276 PolarHBondContact OD2-NE 3.47Å; D274-R276 IonicContact OD2-NH2 3.82Å; D274-R276 PolarHBondContact OD2-NH2 3.16Å
277S97.6Very high94.7Very high5 Ų550.3 Ų50.34%0.03527%0.266CS..SBendtrans-81.4139.6175-177.80000110.5G261 D274 P275 F279 Y280G261-S277 WeakPolarHBondContact CA-OG 3.24Å; D274-S277 WeakPolarHBondContact O-CB 3.26Å; D274-S277 PolarHBondContact O-N 2.96Å; P275-S277 VanDerWaalsContact C-N 3.25Å; S277-F279 PolarHBondContact O-N 3.26Å; S277-F279 VanDerWaalsContact O-N 3.12Å; S277-F279 WeakPolarHBondContact OG-CD2 3.43Å; S277-F279 PolarHBondContact OG-N 2.87Å; S277-Y280 VanDerWaalsContact O-CB 3.3Å; S277-Y280 WeakPolarHBondContact O-CB 3.42Å; S277-Y280 PolarHBondContact O-N 3.28Å; S277-Y280 VanDerWaalsContact O-N 3.08Å
278P97Very high94.3Very high59 Ų5948.3 Ų48.338%0.38326%0.255SS..THydrogen-bonded Turntrans-68.1-8.4171.231.5-36.1000113V136 T140 W282V136-P278 HydrophobicContact CG1-CG 3.49Å; V136-P278 VanDerWaalsContact CG1-CG 3.49Å; T140-P278 HydrophobicContact CG2-CB 3.72Å; T140-P278 HydrophobicContact CG2-CG 3.8Å; P278-W282 PolarHBondContact O-NE1 2.95Å
279F97.2Very high93.8Very high0 Ų046.6 Ų46.60%023%0.231CC..THydrogen-bonded Turntrans-88.4-2.5174.2-53.8-63.2000113.5V136 V139 T140 L259 L260 I273 S277 M281 W282 P389V136-F279 HydrophobicContact CG1-CE2 4.08Å; V136-F279 HydrophobicContact CG1-CZ 4.03Å; V139-F279 HydrophobicContact CB-CE1 4.34Å; V139-F279 HydrophobicContact CB-CZ 4.27Å; V139-F279 HydrophobicContact CG1-CE1 3.63Å; V139-F279 HydrophobicContact CG1-CZ 3.87Å; T140-F279 HydrophobicContact CG2-CD1 4.14Å; T140-F279 HydrophobicContact CG2-CE1 3.53Å; T140-F279 HydrophobicContact CG2-CZ 3.9Å; L259-F279 VanDerWaalsContact O-CE2 3.31Å; L259-F279 WeakPolarHBondContact O-CE2 3.3Å; L260-F279 HydrophobicContact CD2-CE2 4.16Å; L260-F279 HydrophobicContact CD2-CZ 4.4Å; I273-F279 HydrophobicContact CD1-CB 4Å; I273-F279 HydrophobicContact CG2-CB 4.38Å; S277-F279 PolarHBondContact O-N 3.26Å; S277-F279 VanDerWaalsContact O-N 3.12Å; S277-F279 WeakPolarHBondContact OG-CD2 3.43Å; S277-F279 PolarHBondContact OG-N 2.87Å; F279-M281 PolarHBondContact O-N 3.2Å; F279-W282 VanDerWaalsContact CA-CD1 3.49Å; F279-W282 HydrophobicContact CB-CG 4.49Å; F279-W282 AromaticContact CD1-CD2 3.8Å; F279-W282 HydrophobicContact CD1-CD2 3.8Å; F279-W282 AromaticContact CD1-CE2 3.48Å; F279-W282 VanDerWaalsContact CD1-CE2 3.48Å; F279-W282 AromaticContact CD1-CE3 3.99Å; F279-W282 HydrophobicContact CD1-CE3 3.99Å; F279-W282 AromaticContact CD1-CH2 3.66Å; F279-W282 HydrophobicContact CD1-CH2 3.66Å; F279-W282 AromaticContact CD1-CZ2 3.41Å; F279-W282 HydrophobicContact CD1-CZ2 3.41Å; F279-W282 VanDerWaalsContact CD1-CZ2 3.41Å; F279-W282 AromaticContact CD1-CZ3 3.93Å; F279-W282 HydrophobicContact CD1-CZ3 3.93Å; F279-W282 AromaticContact CE1-CH2 3.54Å; F279-W282 HydrophobicContact CE1-CH2 3.54Å; F279-W282 AromaticContact CE1-CZ2 3.55Å; F279-W282 HydrophobicContact CE1-CZ2 3.55Å; F279-W282 HydrophobicContact CE1-CZ3 4.08Å; F279-W282 WeakPolarHBondContact O-CB 3.38Å; F279-W282 PolarHBondContact O-N 2.96Å; F279-P389 HydrophobicContact CD1-CB 4.49Å; F279-P389 HydrophobicContact CD1-CG 3.43Å; F279-P389 VanDerWaalsContact CD1-CG 3.43Å; F279-P389 HydrophobicContact CD2-CG 4.36Å; F279-P389 HydrophobicContact CE1-CB 4.16Å; F279-P389 HydrophobicContact CE1-CG 3.46Å; F279-P389 VanDerWaalsContact CE1-CG 3.46Å; F279-P389 HydrophobicContact CE2-CG 4.38Å; F279-P389 HydrophobicContact CG-CG 3.91Å; F279-P389 HydrophobicContact CZ-CB 4.21Å; F279-P389 HydrophobicContact CZ-CG 3.96Å
280Y96.5Very high93.2Very high77 Ų7743.9 Ų43.930%0.30223%0.227SC..THydrogen-bonded Turntrans-60.1136.6172.5179.2-120.5000110.5L272 I273 P275 S277 W282L272-Y280 HydrophobicContact CB-CE2 4.36Å; L272-Y280 HydrophobicContact CD1-CE2 4.01Å; I273-Y280 WeakPolarHBondContact O-CD2 3.4Å; P275-Y280 HydrophobicContact CB-CD1 4.09Å; P275-Y280 HydrophobicContact CB-CD2 4.42Å; P275-Y280 HydrophobicContact CB-CE1 4.11Å; P275-Y280 HydrophobicContact CB-CE2 4.43Å; P275-Y280 HydrophobicContact CB-CG 4.25Å; P275-Y280 HydrophobicContact CG-CD2 4.23Å; P275-Y280 HydrophobicContact CG-CE1 4.34Å; P275-Y280 HydrophobicContact CG-CE2 3.93Å; S277-Y280 VanDerWaalsContact O-CB 3.3Å; S277-Y280 WeakPolarHBondContact O-CB 3.42Å; S277-Y280 PolarHBondContact O-N 3.28Å; S277-Y280 VanDerWaalsContact O-N 3.08Å; Y280-W282 PolarHBondContact O-N 3.08Å; Y280-W282 VanDerWaalsContact O-N 3.14Å
281M94.3Very high92.3Very high107 Ų10747 Ų4753%0.52725%0.246SC..THydrogen-bonded Turntrans58.919.3-179.7-61.2-66.4-6800115.2F279 V307F279-M281 PolarHBondContact O-N 3.2Å; M281-V307 HydrophobicContact CE-CG1 3.86Å; M281-V307 HydrophobicContact SD-CG1 4Å; M281-V307 HydrophobicContact SD-CG2 4.48Å
282W96.2Very high91.2Very high13 Ų1348.2 Ų48.25%0.04927%0.273CS..  trans-60.3141.8169.2-89.435000111.3V139 T140 M142 L143 Q174 P278 F279 Y280 V307 L308 P389V139-W282 HydrophobicContact CG1-CH2 4.06Å; T140-W282 HydrophobicContact CG2-CH2 4.5Å; T140-W282 HydrophobicContact CG2-CZ2 3.77Å; M142-W282 HydrophobicContact CE-CH2 4.43Å; M142-W282 HydrophobicContact CE-CZ3 4.45Å; L143-W282 HydrophobicContact CD1-CD2 3.64Å; L143-W282 HydrophobicContact CD1-CE3 4.3Å; L143-W282 HydrophobicContact CD1-CG 3.87Å; L143-W282 HydrophobicContact CD1-CH2 4.38Å; L143-W282 HydrophobicContact CD1-CZ2 3.75Å; L143-W282 HydrophobicContact CG-CD2 4.31Å; L143-W282 HydrophobicContact CG-CH2 4.31Å; L143-W282 HydrophobicContact CG-CZ2 4.12Å; Q174-W282 HydrophobicContact CG-CZ3 4.47Å; P278-W282 PolarHBondContact O-NE1 2.95Å; F279-W282 VanDerWaalsContact CA-CD1 3.49Å; F279-W282 HydrophobicContact CB-CG 4.49Å; F279-W282 AromaticContact CD1-CD2 3.8Å; F279-W282 HydrophobicContact CD1-CD2 3.8Å; F279-W282 AromaticContact CD1-CE2 3.48Å; F279-W282 VanDerWaalsContact CD1-CE2 3.48Å; F279-W282 AromaticContact CD1-CE3 3.99Å; F279-W282 HydrophobicContact CD1-CE3 3.99Å; F279-W282 AromaticContact CD1-CH2 3.66Å; F279-W282 HydrophobicContact CD1-CH2 3.66Å; F279-W282 AromaticContact CD1-CZ2 3.41Å; F279-W282 HydrophobicContact CD1-CZ2 3.41Å; F279-W282 VanDerWaalsContact CD1-CZ2 3.41Å; F279-W282 AromaticContact CD1-CZ3 3.93Å; F279-W282 HydrophobicContact CD1-CZ3 3.93Å; F279-W282 AromaticContact CE1-CH2 3.54Å; F279-W282 HydrophobicContact CE1-CH2 3.54Å; F279-W282 AromaticContact CE1-CZ2 3.55Å; F279-W282 HydrophobicContact CE1-CZ2 3.55Å; F279-W282 HydrophobicContact CE1-CZ3 4.08Å; F279-W282 WeakPolarHBondContact O-CB 3.38Å; F279-W282 PolarHBondContact O-N 2.96Å; Y280-W282 PolarHBondContact O-N 3.08Å; Y280-W282 VanDerWaalsContact O-N 3.14Å; W282-V307 CarbonylContact O-C 3.39Å; W282-V307 VanDerWaalsContact O-CA 3.24Å; W282-V307 WeakPolarHBondContact O-CA 3.49Å; W282-L308 HydrophobicContact CB-CD1 3.45Å; W282-L308 VanDerWaalsContact CB-CD1 3.45Å; W282-L308 HydrophobicContact CB-CD2 4.49Å; W282-L308 HydrophobicContact CB-CG 3.55Å; W282-L308 HydrophobicContact CD2-CD1 4.41Å; W282-L308 HydrophobicContact CE3-CD1 4.17Å; W282-L308 HydrophobicContact CG-CD1 4.18Å; W282-L308 PolarHBondContact O-N 2.7Å; W282-P389 HydrophobicContact CE3-CG 4.33Å; W282-P389 HydrophobicContact CZ3-CG 4.03Å
283P95.2Very high90Very high33 Ų3349.3 Ų49.321%0.21428%0.282CS..EExtended strand (participates in β ladder)trans-69.2137.7177.529.1-34000110.8L143 Y285L143-P283 HydrophobicContact CD2-CG 3.76Å; P283-Y285 HydrophobicContact CB-CD1 4.4Å; P283-Y285 HydrophobicContact CB-CE1 4.04Å; P283-Y285 HydrophobicContact CB-CE2 4.35Å; P283-Y285 HydrophobicContact CG-CD2 4.38Å; P283-Y285 HydrophobicContact CG-CE1 4.01Å; P283-Y285 HydrophobicContact CG-CE2 3.69Å; P283-Y285 VanDerWaalsContact CG-CZ 3.5Å
284E95Very high89.1Confident8 Ų854.9 Ų54.94%0.03731%0.312CS..EExtended strand (participates in β ladder)trans-9191162.4-177.6-174.38500107.8S287 F305 R306 L308 T378 T384 N387E284-S287 PolarHBondContact O-OG 3.48Å; E284-S287 WeakPolarHBondContact OE1-CB 3.44Å; E284-S287 PolarHBondContact OE1-OG 3.45Å; E284-F305 WeakPolarHBondContact O-CB 3.39Å; E284-R306 HydrophobicContact CB-CB 4.29Å; E284-R306 PolarHBondContact N-O 3.09Å; E284-L308 HydrophobicContact CB-CD2 4.33Å; E284-T378 HydrophobicContact CB-CG2 4.36Å; E284-T378 HydrophobicContact CG-CG2 3.74Å; E284-T378 WeakPolarHBondContact OE2-CA 3.45Å; E284-T378 WeakPolarHBondContact OE2-CB 3.47Å; E284-T378 WeakPolarHBondContact OE2-CG2 3.28Å; E284-T378 PolarHBondContact OE2-OG1 2.6Å; E284-T384 HydrophobicContact CG-CG2 3.79Å; E284-N387 HydrophobicContact CG-CB 4.48Å
285Y94.4Very high88.4Confident26 Ų2654.6 Ų54.610%0.10231%0.311CS..THydrogen-bonded Turntrans-64.4153.4171.6-58.2-66.7000110.5L143 D172 Q174 Y175 P283 S287 F305 N387L143-Y285 HydrophobicContact CD2-CE2 4.15Å; D172-Y285 PolarHBondContact OD2-OH 3.42Å; Q174-Y285 HydrophobicContact CB-CE2 4.32Å; Q174-Y285 HydrophobicContact CG-CD2 4.22Å; Q174-Y285 HydrophobicContact CG-CE2 3.93Å; Y175-Y285 VanDerWaalsContact CB-CE2 3.49Å; Y175-Y285 AromaticContact CD1-CD1 3.76Å; Y175-Y285 HydrophobicContact CD1-CD1 3.76Å; Y175-Y285 AromaticContact CD1-CE1 3.6Å; Y175-Y285 HydrophobicContact CD1-CE1 3.6Å; Y175-Y285 HydrophobicContact CD1-CG 4.35Å; Y175-Y285 VanDerWaalsContact CD2-CB 3.49Å; Y175-Y285 AromaticContact CD2-CD1 3.48Å; Y175-Y285 HydrophobicContact CD2-CD1 3.48Å; Y175-Y285 VanDerWaalsContact CD2-CD1 3.48Å; Y175-Y285 AromaticContact CD2-CD2 3.84Å; Y175-Y285 HydrophobicContact CD2-CD2 3.84Å; Y175-Y285 HydrophobicContact CD2-CE1 4.1Å; Y175-Y285 HydrophobicContact CD2-CE2 4.38Å; Y175-Y285 AromaticContact CD2-CG 3.32Å; Y175-Y285 HydrophobicContact CD2-CG 3.32Å; Y175-Y285 AromaticContact CE1-CD1 3.89Å; Y175-Y285 HydrophobicContact CE1-CD1 3.89Å; Y175-Y285 AromaticContact CE1-CE1 3.98Å; Y175-Y285 HydrophobicContact CE1-CE1 3.98Å; Y175-Y285 AromaticContact CE2-CD1 3.61Å; Y175-Y285 HydrophobicContact CE2-CD1 3.61Å; Y175-Y285 HydrophobicContact CE2-CE1 4.43Å; Y175-Y285 AromaticContact CE2-CG 3.73Å; Y175-Y285 HydrophobicContact CE2-CG 3.73Å; Y175-Y285 AromaticContact CG-CD1 3.57Å; Y175-Y285 HydrophobicContact CG-CD1 3.57Å; Y175-Y285 AromaticContact CG-CD2 3.91Å; Y175-Y285 HydrophobicContact CG-CD2 3.91Å; Y175-Y285 AromaticContact CG-CE1 3.67Å; Y175-Y285 HydrophobicContact CG-CE1 3.67Å; Y175-Y285 AromaticContact CG-CE2 3.97Å; Y175-Y285 HydrophobicContact CG-CE2 3.97Å; Y175-Y285 AromaticContact CG-CG 3.69Å; Y175-Y285 HydrophobicContact CG-CG 3.69Å; Y175-Y285 AromaticContact CG-CZ 3.84Å; Y175-Y285 AromaticContact CZ-CD1 3.8Å; P283-Y285 HydrophobicContact CB-CD1 4.4Å; P283-Y285 HydrophobicContact CB-CE1 4.04Å; P283-Y285 HydrophobicContact CB-CE2 4.35Å; P283-Y285 HydrophobicContact CG-CD2 4.38Å; P283-Y285 HydrophobicContact CG-CE1 4.01Å; P283-Y285 HydrophobicContact CG-CE2 3.69Å; P283-Y285 VanDerWaalsContact CG-CZ 3.5Å; Y285-S287 PolarHBondContact O-N 3.5Å; Y285-F305 AromaticContact CD1-CD2 3.87Å; Y285-F305 HydrophobicContact CD1-CD2 3.87Å; Y285-F305 AromaticContact CD1-CE2 3.92Å; Y285-F305 HydrophobicContact CD1-CE2 3.92Å; Y285-F305 HydrophobicContact CD1-CG 4.49Å; Y285-F305 HydrophobicContact CE1-CD2 4.34Å; Y285-F305 HydrophobicContact CE1-CE2 4.49Å; Y285-N387 WeakPolarHBondContact CB-OD1 3.23Å; Y285-N387 WeakPolarHBondContact CD2-OD1 3.25Å; Y285-N387 PolarHBondContact N-OD1 3.24Å; Y285-N387 PolarHBondContact O-ND2 3.35Å
286C92.2Very high87.7Confident0 Ų053.2 Ų53.20%030%0.297CS..THydrogen-bonded Turntrans62.622.8-179.9-45.60000115.5R182 C298R182-C286 HydrophobicContact CB-CB 4.07Å; R182-C286 HydrophobicContact CG-CB 3.96Å; C286-C298 VanDerWaalsContact CA-O 3.28Å; C286-C298 WeakPolarHBondContact CA-O 3.46Å; C286-C298 WeakPolarHBondContact CA-SG 3.46Å; C286-C298 HydrophobicContact CB-CB 3.71Å; C286-C298 WeakPolarHBondContact CB-SG 3.37Å; C286-C298 WeakPolarHBondContact SG-CB 3.24Å; C286-C298 CovalentContact SG-SG 2.03Å; C286-C298 PolarHBondContact SG-SG 2.92Å
287S89.9Confident87.2Confident3 Ų344.2 Ų44.22%0.02126%0.263CS..PPolyproline II helixtrans-50.8134.4175-67.40000111.6E284 Y285 R306E284-S287 PolarHBondContact O-OG 3.48Å; E284-S287 WeakPolarHBondContact OE1-CB 3.44Å; E284-S287 PolarHBondContact OE1-OG 3.45Å; Y285-S287 PolarHBondContact O-N 3.5Å; S287-R306 WeakPolarHBondContact OG-CB 3.34Å; S287-R306 PolarHBondContact OG-N 3.38Å
288P84.3Confident86.8Confident41 Ų4144 Ų4427%0.26626%0.262SS..PPolyproline II helixtrans-61.9146.9174.926.5-34.4000111.3Y296 R306P288-Y296 HydrophobicContact CB-CE2 4.09Å; P288-Y296 WeakPolarHBondContact CB-OH 3.47Å; P288-R306 PolarHBondContact O-NH2 2.96Å
289P80.6Confident86.5Confident38 Ų3841.2 Ų41.225%0.24724%0.244CC..PPolyproline II helixtrans-64.2153.5172.931.2-35.7000110.3T291 Y296 A300P289-T291 VanDerWaalsContact C-N 3.34Å; P289-T291 WeakPolarHBondContact CB-O 3.46Å; P289-Y296 VanDerWaalsContact CD-CG 3.48Å; P289-Y296 HydrophobicContact CG-CD1 3.92Å; P289-Y296 HydrophobicContact CG-CD2 4.19Å; P289-Y296 HydrophobicContact CG-CE1 4.42Å; P289-Y296 HydrophobicContact CG-CG 3.81Å; P289-A300 HydrophobicContact CB-CB 4.28Å; P289-A300 HydrophobicContact CG-CB 4.24Å
290T76.9Confident85.9Confident120 Ų12042.6 Ų42.674%0.73626%0.255SS*.SBendtrans-74.9-26.7177470000112.7
291T73.3Confident85.1Confident118 Ų11840 Ų4072%0.72425%0.252SS*.SBendtrans-141156179.657.10000109.4P289P289-T291 VanDerWaalsContact C-N 3.34Å; P289-T291 WeakPolarHBondContact CB-O 3.46Å
292G71.6Confident84.5Confident74 Ų7440.3 Ų40.376%0.76325%0.247SC*.SBendtrans120-170.4175.600000113.7
293S69.9Low83.7Confident39 Ų3943.3 Ų43.327%0.27327%0.268SS..  trans-81.7163.5-179.171.80000111.8C295 Y296S293-C295 PolarHBondContact O-N 3.27Å; S293-Y296 WeakPolarHBondContact O-CD1 3.26Å
294N77.3Confident83Confident120 Ų12048.3 Ų48.364%0.64229%0.293SS*.SBendtrans-72.2-9.1175.4-69.8-25.4000113.2Y296N294-Y296 WeakPolarHBondContact O-CD1 3.07Å; N294-Y296 PolarHBondContact O-N 3.44Å
295C81.9Confident82.5Confident8 Ų850.1 Ų50.15%0.05430%0.301CS..  trans-89.456.5-179.4-54.80000111.6A187 T188 C196 S293A187-C295 HydrophobicContact CB-CB 4.45Å; T188-C295 WeakPolarHBondContact O-CB 3.37Å; T188-C295 PolarHBondContact O-SG 2.99Å; C196-C295 WeakPolarHBondContact CA-SG 3.38Å; C196-C295 HydrophobicContact CB-CB 3.85Å; C196-C295 WeakPolarHBondContact CB-SG 3.45Å; C196-C295 WeakPolarHBondContact SG-CB 3.44Å; C196-C295 PolarHBondContact SG-N 2.89Å; C196-C295 CovalentContact SG-SG 2.02Å; C196-C295 PolarHBondContact SG-SG 2.92Å; S293-C295 PolarHBondContact O-N 3.27Å
296Y83.6Confident82.3Confident40 Ų4054.4 Ų54.416%0.15732%0.317CS..  trans-111.9158176.372-90.6000109.8R182 P288 P289 S293 N294 A300R182-Y296 VanDerWaalsContact NH2-CZ 3.31Å; R182-Y296 PolarHBondContact NH2-O 2.81Å; P288-Y296 HydrophobicContact CB-CE2 4.09Å; P288-Y296 WeakPolarHBondContact CB-OH 3.47Å; P289-Y296 VanDerWaalsContact CD-CG 3.48Å; P289-Y296 HydrophobicContact CG-CD1 3.92Å; P289-Y296 HydrophobicContact CG-CD2 4.19Å; P289-Y296 HydrophobicContact CG-CE1 4.42Å; P289-Y296 HydrophobicContact CG-CG 3.81Å; S293-Y296 WeakPolarHBondContact O-CD1 3.26Å; N294-Y296 WeakPolarHBondContact O-CD1 3.07Å; N294-Y296 PolarHBondContact O-N 3.44Å; Y296-A300 HydrophobicContact CD2-CB 3.97Å; Y296-A300 HydrophobicContact CG-CB 4.25Å
297S86.2Confident82.4Confident0 Ų056.2 Ų56.20%033%0.328CS..  trans-118.2-173.7171.7-1660000112.2E154 R186 H299 A300E154-S297 VanDerWaalsContact CB-OG 3.3Å; E154-S297 WeakPolarHBondContact CB-OG 3.24Å; E154-S297 CarbonylContact O-C 3.55Å; E154-S297 WeakPolarHBondContact O-CB 3.39Å; E154-S297 WeakPolarHBondContact OE2-CB 3.13Å; E154-S297 PolarHBondContact OE2-OG 3.48Å; R186-S297 WeakPolarHBondContact CD-OG 3.32Å; S297-H299 PolarHBondContact O-N 3.46Å; S297-A300 WeakPolarHBondContact O-CB 3.07Å; S297-A300 PolarHBondContact O-N 3.02Å; S297-A300 VanDerWaalsContact O-N 3.11Å
298C89.9Confident82.7Confident0 Ų056.2 Ų56.20%033%0.328CS..THydrogen-bonded Turntrans-51.8-31.6-171.5-1770000114F179 R182 C286F179-C298 HydrophobicContact CD2-CB 3.81Å; F179-C298 HydrophobicContact CE2-CB 4.06Å; R182-C298 HydrophobicContact CG-CB 4.13Å; C286-C298 VanDerWaalsContact CA-O 3.28Å; C286-C298 WeakPolarHBondContact CA-O 3.46Å; C286-C298 WeakPolarHBondContact CA-SG 3.46Å; C286-C298 HydrophobicContact CB-CB 3.71Å; C286-C298 WeakPolarHBondContact CB-SG 3.37Å; C286-C298 WeakPolarHBondContact SG-CB 3.24Å; C286-C298 CovalentContact SG-SG 2.03Å; C286-C298 PolarHBondContact SG-SG 2.92Å
299H90.5Very high83.2Confident0 Ų055 Ų550%032%0.319CS..THydrogen-bonded Turntrans-99.614.2-174.9-50.979.5000113.4L152 F153 E154 K155 L169 Y175 F179 S297 G301 W302L152-H299 PolarHBondContact O-CE1 2.9Å; F153-H299 HydrophobicContact CD2-CB 4.12Å; F153-H299 AromaticContact CD2-CD2 3.77Å; F153-H299 AromaticContact CD2-CG 3.8Å; F153-H299 HydrophobicContact CE2-CB 3.87Å; E154-H299 PolarHBondContact N-ND1 3.4Å; E154-H299 WeakPolarHBondContact O-CA 3.43Å; E154-H299 VanDerWaalsContact O-CB 3.26Å; E154-H299 WeakPolarHBondContact O-CB 3.2Å; E154-H299 PolarHBondContact O-N 3.38Å; K155-H299 HydrophobicContact CB-CB 4.39Å; L169-H299 WeakPolarHBondContact CD1-NE2 3.24Å; Y175-H299 AromaticContact CZ-NE2 3.73Å; Y175-H299 PolarHBondContact OH-CD2 3.19Å; Y175-H299 PolarHBondContact OH-NE2 3.19Å; F179-H299 AromaticContact CE2-CE1 3.95Å; S297-H299 PolarHBondContact O-N 3.46Å; H299-G301 PolarHBondContact O-N 3.35Å; H299-W302 HydrophobicContact CB-CB 3.84Å; H299-W302 HydrophobicContact CB-CG 4.5Å; H299-W302 WeakPolarHBondContact O-CB 3.4Å; H299-W302 PolarHBondContact O-N 3.08Å
300A84.7Confident83.9Confident29 Ų2953.3 Ų53.324%0.2431%0.308CS..THydrogen-bonded Turntrans-59.5-35.5178.200000113.1K155 P289 Y296 S297K155-A300 WeakPolarHBondContact O-CA 3.29Å; P289-A300 HydrophobicContact CB-CB 4.28Å; P289-A300 HydrophobicContact CG-CB 4.24Å; Y296-A300 HydrophobicContact CD2-CB 3.97Å; Y296-A300 HydrophobicContact CG-CB 4.25Å; S297-A300 WeakPolarHBondContact O-CB 3.07Å; S297-A300 PolarHBondContact O-N 3.02Å; S297-A300 VanDerWaalsContact O-N 3.11Å
301G79.5Confident84.7Confident23 Ų2350.1 Ų50.124%0.23728%0.283CS..THydrogen-bonded Turntrans-90.31.1174.100000115H299 N304H299-G301 PolarHBondContact O-N 3.35Å; G301-N304 CarbonylContact O-C 3.5Å; G301-N304 PolarHBondContact O-N 3.2Å
302W81.9Confident85.6Confident114 Ų11446 Ų4643%0.43226%0.255SS..THydrogen-bonded Turntrans-66.9140.1-174.3-175.694000111.8F153 H299 F305F153-W302 HydrophobicContact CE2-CD2 4.24Å; F153-W302 HydrophobicContact CE2-CE3 4.45Å; F153-W302 HydrophobicContact CE2-CG 4.37Å; F153-W302 HydrophobicContact CZ-CE3 4.47Å; H299-W302 HydrophobicContact CB-CB 3.84Å; H299-W302 HydrophobicContact CB-CG 4.5Å; H299-W302 WeakPolarHBondContact O-CB 3.4Å; H299-W302 PolarHBondContact O-N 3.08Å; W302-F305 HydrophobicContact CB-CE1 4.49Å; W302-F305 HydrophobicContact CB-CZ 4.18Å; W302-F305 AromaticContact CD1-CE2 3.78Å; W302-F305 AromaticContact CD1-CZ 3.74Å; W302-F305 HydrophobicContact CG-CZ 4.38Å
303P78.2Confident86.4Confident76 Ų7647.2 Ų47.249%0.49424%0.241SC..THydrogen-bonded Turncis-88.90.74.735.1-35.8000115.1F305P303-F305 PolarHBondContact O-N 2.87Å; P303-F305 VanDerWaalsContact O-N 3.12Å
304N81.6Confident87.3Confident138 Ų13846.6 Ų46.674%0.73824%0.237SC*.  trans-9268.3-170-63.1-34.5000111.7G301G301-N304 CarbonylContact O-C 3.5Å; G301-N304 PolarHBondContact O-N 3.2Å
305F83.4Confident87.7Confident45 Ų4545.1 Ų45.120%0.19723%0.232CC..  trans-63.8147.8171.7-65.5-51000111.6Y175 E284 Y285 W302 P303Y175-F305 HydrophobicContact CE1-CE2 4.45Å; Y175-F305 WeakPolarHBondContact OH-CE2 3.39Å; Y175-F305 WeakPolarHBondContact OH-CZ 3.26Å; E284-F305 WeakPolarHBondContact O-CB 3.39Å; Y285-F305 AromaticContact CD1-CD2 3.87Å; Y285-F305 HydrophobicContact CD1-CD2 3.87Å; Y285-F305 AromaticContact CD1-CE2 3.92Å; Y285-F305 HydrophobicContact CD1-CE2 3.92Å; Y285-F305 HydrophobicContact CD1-CG 4.49Å; Y285-F305 HydrophobicContact CE1-CD2 4.34Å; Y285-F305 HydrophobicContact CE1-CE2 4.49Å; W302-F305 HydrophobicContact CB-CE1 4.49Å; W302-F305 HydrophobicContact CB-CZ 4.18Å; W302-F305 AromaticContact CD1-CE2 3.78Å; W302-F305 AromaticContact CD1-CZ 3.74Å; W302-F305 HydrophobicContact CG-CZ 4.38Å; P303-F305 PolarHBondContact O-N 2.87Å; P303-F305 VanDerWaalsContact O-N 3.12Å
306R91.9Very high88Confident116 Ų11646.7 Ų46.744%0.43825%0.246SC..EExtended strand (participates in β ladder)trans-76.6176.9175.6-59.7-180-174.3-178.85.5109.7E284 S287 P288E284-R306 HydrophobicContact CB-CB 4.29Å; E284-R306 PolarHBondContact N-O 3.09Å; S287-R306 WeakPolarHBondContact OG-CB 3.34Å; S287-R306 PolarHBondContact OG-N 3.38Å; P288-R306 PolarHBondContact O-NH2 2.96Å
307V93.7Very high88.5Confident39 Ų3945.1 Ų45.124%0.23624%0.24CC..EExtended strand (participates in β ladder)trans-103.4161.1171.1-64.10000110.5L272 M281 W282 T309L272-V307 HydrophobicContact CD2-CG2 3.58Å; M281-V307 HydrophobicContact CE-CG1 3.86Å; M281-V307 HydrophobicContact SD-CG1 4Å; M281-V307 HydrophobicContact SD-CG2 4.48Å; W282-V307 CarbonylContact O-C 3.39Å; W282-V307 VanDerWaalsContact O-CA 3.24Å; W282-V307 WeakPolarHBondContact O-CA 3.49Å; V307-T309 WeakPolarHBondContact O-CG2 3.27Å
308L95.5Very high89Confident3 Ų345.1 Ų45.12%0.01624%0.24CC..  trans-60.3137.1177.3-57.6-171.8000112.6I273 W282 E284 T378 N387I273-L308 HydrophobicContact CD1-CB 3.76Å; I273-L308 HydrophobicContact CD1-CD1 3.89Å; I273-L308 HydrophobicContact CD1-CG 4.49Å; I273-L308 HydrophobicContact CG1-CB 4.41Å; W282-L308 HydrophobicContact CB-CD1 3.45Å; W282-L308 VanDerWaalsContact CB-CD1 3.45Å; W282-L308 HydrophobicContact CB-CD2 4.49Å; W282-L308 HydrophobicContact CB-CG 3.55Å; W282-L308 HydrophobicContact CD2-CD1 4.41Å; W282-L308 HydrophobicContact CE3-CD1 4.17Å; W282-L308 HydrophobicContact CG-CD1 4.18Å; W282-L308 PolarHBondContact O-N 2.7Å; E284-L308 HydrophobicContact CB-CD2 4.33Å; L308-T378 WeakPolarHBondContact CA-OG1 3.14Å; L308-T378 HydrophobicContact CD2-CG2 3.64Å; L308-N387 WeakPolarHBondContact CD1-O 3.47Å; L308-N387 HydrophobicContact CD2-CB 3.63Å; L308-N387 WeakPolarHBondContact CD2-O 3.35Å
309T95.4Very high89.2Confident14 Ų1447.2 Ų47.29%0.08625%0.253CS..BIsolated β-bridgetrans-132.3149.4-179.861.50000111.4T270 R271 V307 G377 T378T270-T309 HydrophobicContact CG2-CG2 3.32Å; R271-T309 VanDerWaalsContact O-CA 3.27Å; R271-T309 WeakPolarHBondContact O-CA 3.07Å; R271-T309 WeakPolarHBondContact O-CB 3.16Å; V307-T309 WeakPolarHBondContact O-CG2 3.27Å; T309-G377 VanDerWaalsContact OG1-CA 3.31Å; T309-G377 WeakPolarHBondContact OG1-CA 3.43Å; T309-T378 PolarHBondContact N-OG1 2.78Å; T309-T378 PolarHBondContact O-N 3.37Å; T309-T378 PolarHBondContact OG1-N 2.76Å; T309-T378 PolarHBondContact OG1-OG1 3.48Å
310R95.2Very high89.5Confident3 Ų347.4 Ų47.41%0.01125%0.254CS..  trans-146.3120.1173-64.4-177.7-175.5153.91.9110.2L260 G261 R271 F312 V375 D388L260-R310 VanDerWaalsContact O-CZ 3.25Å; L260-R310 PolarHBondContact O-NH1 3.43Å; L260-R310 PolarHBondContact O-NH2 3.2Å; G261-R310 PolarHBondContact O-NH1 3.22Å; R271-R310 WeakPolarHBondContact CB-O 3.33Å; R271-R310 WeakPolarHBondContact CD-O 3.13Å; R271-R310 WeakPolarHBondContact CG-O 3.36Å; R271-R310 PolarHBondContact O-N 3.22Å; R310-F312 HydrophobicContact CB-CD2 4.09Å; R310-F312 HydrophobicContact CB-CE2 3.52Å; R310-F312 HydrophobicContact CB-CZ 3.98Å; R310-F312 HydrophobicContact CG-CE2 4.49Å; R310-V375 HydrophobicContact CB-CG1 4.27Å; R310-V375 HydrophobicContact CG-CG1 4.04Å; R310-D388 IonicContact CZ-OD1 2.8Å; R310-D388 IonicContact CZ-OD2 2.88Å; R310-D388 IonicContact NE-OD1 3.76Å; R310-D388 IonicContact NE-OD2 3.9Å; R310-D388 PolarHBondContact NE-OD2 3.29Å; R310-D388 IonicContact NH2-OD1 3.72Å; R310-D388 PolarHBondContact NH2-OD1 3.2Å; R310-D388 IonicContact NH2-OD2 3.52Å; R310-D388 PolarHBondContact NH2-OD2 3.45Å
311Y94.4Very high89.9Confident54 Ų5450.9 Ų50.921%0.21227%0.265CS..  trans-94.8-34.2-175.1-59.9-56.5000113.5W266 R271 V375 G377W266-Y311 AromaticContact CH2-CD1 3.51Å; W266-Y311 HydrophobicContact CH2-CD1 3.51Å; W266-Y311 HydrophobicContact CH2-CE1 4.15Å; W266-Y311 HydrophobicContact CH2-CG 4.4Å; W266-Y311 AromaticContact CZ3-CD1 3.59Å; W266-Y311 HydrophobicContact CZ3-CD1 3.59Å; W266-Y311 AromaticContact CZ3-CE1 3.74Å; W266-Y311 HydrophobicContact CZ3-CE1 3.74Å; R271-Y311 HydrophobicContact CB-CD1 3.53Å; R271-Y311 HydrophobicContact CB-CE1 3.86Å; R271-Y311 PolarHBondContact NH1-O 3.35Å; Y311-V375 PolarHBondContact N-O 3.03Å; Y311-V375 VanDerWaalsContact N-O 3.11Å; Y311-G377 VanDerWaalsContact CD2-CA 3.49Å; Y311-G377 VanDerWaalsContact CD2-N 3.34Å; Y311-G377 VanDerWaalsContact CE2-CA 3.48Å
312F91.1Very high90.7Very high30 Ų3050 Ų5013%0.13226%0.255CS..  trans58.162-172.8-55.2-89.4000112.3C252 C255 Y263 R310 S314 V374 V375C252-F312 HydrophobicContact CB-CD1 4.36Å; C252-F312 HydrophobicContact CB-CE1 3.63Å; C255-F312 HydrophobicContact CB-CE1 4.26Å; C255-F312 HydrophobicContact CB-CZ 3.96Å; C255-F312 VanDerWaalsContact SG-CE1 3.59Å; C255-F312 VanDerWaalsContact SG-CZ 3.58Å; Y263-F312 AromaticContact CD1-CD2 3.31Å; Y263-F312 HydrophobicContact CD1-CD2 3.31Å; Y263-F312 AromaticContact CD1-CE2 3.18Å; Y263-F312 HydrophobicContact CD1-CE2 3.18Å; Y263-F312 HydrophobicContact CD1-CG 4.05Å; Y263-F312 AromaticContact CD1-CZ 3.87Å; Y263-F312 HydrophobicContact CD1-CZ 3.87Å; Y263-F312 HydrophobicContact CE1-CB 4.11Å; Y263-F312 AromaticContact CE1-CD1 3.73Å; Y263-F312 HydrophobicContact CE1-CD1 3.73Å; Y263-F312 AromaticContact CE1-CD2 3.13Å; Y263-F312 HydrophobicContact CE1-CD2 3.13Å; Y263-F312 AromaticContact CE1-CE1 3.79Å; Y263-F312 HydrophobicContact CE1-CE1 3.79Å; Y263-F312 AromaticContact CE1-CE2 3.18Å; Y263-F312 HydrophobicContact CE1-CE2 3.18Å; Y263-F312 AromaticContact CE1-CG 3.38Å; Y263-F312 HydrophobicContact CE1-CG 3.38Å; Y263-F312 AromaticContact CE1-CZ 3.51Å; Y263-F312 HydrophobicContact CE1-CZ 3.51Å; Y263-F312 HydrophobicContact CG-CE2 4.22Å; R310-F312 HydrophobicContact CB-CD2 4.09Å; R310-F312 HydrophobicContact CB-CE2 3.52Å; R310-F312 HydrophobicContact CB-CZ 3.98Å; R310-F312 HydrophobicContact CG-CE2 4.49Å; F312-S314 PolarHBondContact O-N 3.4Å; F312-S314 VanDerWaalsContact O-N 3.08Å; F312-V374 CarbonylContact C-O 2.96Å; F312-V374 VanDerWaalsContact CA-O 3.23Å; F312-V374 WeakPolarHBondContact CA-O 3.28Å; F312-V375 HydrophobicContact CD1-CG1 4.46Å; F312-V375 HydrophobicContact CD1-CG2 4.38Å; F312-V375 HydrophobicContact CE1-CG1 4.14Å; F312-V375 HydrophobicContact CE1-CG2 4.25Å; F312-V375 PolarHBondContact N-O 3.15Å
313E88.2Confident91.4Very high100 Ų10044.5 Ų44.547%0.46723%0.234SC..  trans-56.7-23.3-179.5-63.1-64.2160.500113.1Y364 V374 S376E313-Y364 HydrophobicContact CB-CE1 3.72Å; E313-Y364 PolarHBondContact O-OH 2.75Å; E313-Y364 VanDerWaalsContact O-OH 3.13Å; E313-V374 PolarHBondContact N-O 3.1Å; E313-S376 VanDerWaalsContact CG-CB 3.42Å
314S88.9Confident92.2Very high26 Ų2642.7 Ų42.718%0.18222%0.22CC..  trans-152.2176.3179.9-176.10000111.6F312 A316 V374F312-S314 PolarHBondContact O-N 3.4Å; F312-S314 VanDerWaalsContact O-N 3.08Å; S314-A316 WeakPolarHBondContact OG-CB 3.34Å; S314-A316 PolarHBondContact OG-N 3.23Å; S314-A316 VanDerWaalsContact OG-N 3.12Å; S314-V374 PolarHBondContact N-O 3.25Å; S314-V374 WeakPolarHBondContact O-CG1 3.35Å
315T85.2Confident92.8Very high89 Ų8937.8 Ų37.855%0.54619%0.192SC..  trans-119.97.3169520000112.4K250 F317K250-T315 VanDerWaalsContact O-CB 3.3Å; K250-T315 WeakPolarHBondContact O-CB 3.48Å; T315-F317 VanDerWaalsContact C-N 3.32Å; T315-F317 WeakPolarHBondContact O-CD2 3.35Å; T315-F317 PolarHBondContact O-N 2.85Å
316A89Confident93.5Very high42 Ų4235.7 Ų35.735%0.34718%0.183SC..  trans-81.469.2-176.400000112.2S314 K370S314-A316 WeakPolarHBondContact OG-CB 3.34Å; S314-A316 PolarHBondContact OG-N 3.23Å; S314-A316 VanDerWaalsContact OG-N 3.12Å; A316-K370 WeakPolarHBondContact O-CD 3.22Å; A316-K370 WeakPolarHBondContact O-CE 3.46Å
317F94.6Very high93.7Very high7 Ų730.1 Ų30.13%0.03116%0.162CC..PPolyproline II helixtrans-64.5157.2171-67.2-86.7000111.2W244 W246 S249 C252 T315 V371 V374 V375W244-F317 HydrophobicContact CH2-CD1 4.17Å; W244-F317 AromaticContact CH2-CE1 3.42Å; W244-F317 HydrophobicContact CH2-CE1 3.42Å; W244-F317 VanDerWaalsContact CH2-CE1 3.42Å; W244-F317 AromaticContact CH2-CZ 3.88Å; W244-F317 HydrophobicContact CH2-CZ 3.88Å; W244-F317 HydrophobicContact CZ2-CD1 4.4Å; W244-F317 AromaticContact CZ2-CE1 3.94Å; W244-F317 HydrophobicContact CZ2-CE1 3.94Å; W244-F317 HydrophobicContact CZ2-CZ 4.26Å; W244-F317 HydrophobicContact CZ3-CE1 4.38Å; W246-F317 HydrophobicContact CB-CD1 4.07Å; S249-F317 WeakPolarHBondContact O-CB 3.39Å; S249-F317 WeakPolarHBondContact O-CD2 3.34Å; C252-F317 HydrophobicContact CB-CZ 4.19Å; T315-F317 VanDerWaalsContact C-N 3.32Å; T315-F317 WeakPolarHBondContact O-CD2 3.35Å; T315-F317 PolarHBondContact O-N 2.85Å; F317-V371 HydrophobicContact CD1-CG1 4.36Å; F317-V371 HydrophobicContact CD1-CG2 4.27Å; F317-V371 HydrophobicContact CE1-CG1 4.16Å; F317-V374 HydrophobicContact CD2-CG1 4.47Å; F317-V374 HydrophobicContact CE1-CG1 4.12Å; F317-V374 HydrophobicContact CE2-CG1 4.02Å; F317-V374 HydrophobicContact CZ-CG1 3.83Å; F317-V375 HydrophobicContact CE1-CG2 4.46Å; F317-V375 HydrophobicContact CZ-CG2 4.47Å
318P96.1Very high93.8Very high0 Ų030.4 Ų30.40%017%0.166CC..PPolyproline II helixtrans-64.5146.3178.6-6.916.9000111.8W246 V247 D248 N322 M367 K370 V371W246-P318 HydrophobicContact CE3-CB 4.09Å; W246-P318 VanDerWaalsContact CE3-CD 3.46Å; W246-P318 HydrophobicContact CE3-CG 3.69Å; W246-P318 HydrophobicContact CH2-CB 3.96Å; W246-P318 HydrophobicContact CH2-CG 3.63Å; W246-P318 HydrophobicContact CZ2-CG 4.45Å; W246-P318 HydrophobicContact CZ3-CB 3.36Å; W246-P318 HydrophobicContact CZ3-CG 3.23Å; V247-P318 WeakPolarHBondContact CA-O 3.39Å; D248-P318 PolarHBondContact N-O 2.83Å; P318-N322 HydrophobicContact CB-CB 4.11Å; P318-M367 HydrophobicContact CB-SD 3.85Å; P318-M367 WeakPolarHBondContact CG-O 3.14Å; P318-K370 HydrophobicContact CB-CD 4.42Å; P318-K370 HydrophobicContact CG-CB 4.11Å; P318-K370 HydrophobicContact CG-CD 4.04Å; P318-K370 HydrophobicContact CG-CG 4.41Å; P318-V371 HydrophobicContact CG-CG2 3.98Å
319T95Very high93.8Very high44 Ų4431.5 Ų31.527%0.2717%0.17SC..PPolyproline II helixtrans-100.6168-171.266.50000111.3D248 H321 N322 L323D248-T319 VanDerWaalsContact OD1-CA 3.28Å; D248-T319 WeakPolarHBondContact OD1-CA 3.49Å; T319-H321 PolarHBondContact O-N 3.43Å; T319-H321 PolarHBondContact OG1-N 3.16Å; T319-N322 PolarHBondContact N-OD1 2.77Å; T319-N322 WeakPolarHBondContact O-CB 3.42Å; T319-N322 PolarHBondContact O-N 2.76Å; T319-N322 PolarHBondContact OG1-N 2.74Å; T319-N322 PolarHBondContact OG1-OD1 3.1Å; T319-L323 PolarHBondContact O-N 3.04Å
320T95.1Very high93.8Very high4 Ų436.1 Ų36.13%0.02520%0.195CC..Hα-helixtrans-54-32.8169.3-71.50000112D248 L323 L324 F464 V478D248-T320 PolarHBondContact OD1-N 2.79Å; D248-T320 PolarHBondContact OD2-OG1 3.2Å; T320-L323 PolarHBondContact O-N 3.36Å; T320-L324 HydrophobicContact CG2-CD1 4.03Å; T320-L324 HydrophobicContact CG2-CG 4.44Å; T320-L324 WeakPolarHBondContact O-CB 3.25Å; T320-L324 WeakPolarHBondContact O-CG 3.23Å; T320-L324 PolarHBondContact O-N 2.64Å; T320-F464 HydrophobicContact CG2-CB 4.45Å; T320-V478 HydrophobicContact CG2-CB 3.98Å; T320-V478 HydrophobicContact CG2-CG1 4.24Å; T320-V478 HydrophobicContact CG2-CG2 3.63Å
321H93.8Very high93.7Very high101 Ų10138.2 Ų38.247%0.46821%0.207SC..Hα-helixtrans-67.8-42.8176.2-175.862.3000112T319 L323 L324 F325 F357T319-H321 PolarHBondContact O-N 3.43Å; T319-H321 PolarHBondContact OG1-N 3.16Å; H321-L323 VanDerWaalsContact C-N 3.33Å; H321-L323 PolarHBondContact O-N 3.37Å; H321-L324 PolarHBondContact O-N 3.46Å; H321-F325 PolarHBondContact O-N 3.24Å; H321-F357 AromaticContact CD2-CE1 3.51Å; H321-F357 AromaticContact CD2-CZ 3.48Å; H321-F357 VanDerWaalsContact CD2-CZ 3.48Å; H321-F357 WeakPolarHBondContact CD2-CZ 3.18Å; H321-F357 AromaticContact NE2-CE1 3.67Å; H321-F357 AromaticContact NE2-CZ 3.68Å
322N95.7Very high93.8Very high4 Ų435.9 Ų35.92%0.02120%0.199CC..Hα-helixtrans-60-45.9174.6-55.3121.6000110.5P318 T319 L324 F325 T326 F357 F366 M367P318-N322 HydrophobicContact CB-CB 4.11Å; T319-N322 PolarHBondContact N-OD1 2.77Å; T319-N322 WeakPolarHBondContact O-CB 3.42Å; T319-N322 PolarHBondContact O-N 2.76Å; T319-N322 PolarHBondContact OG1-N 2.74Å; T319-N322 PolarHBondContact OG1-OD1 3.1Å; N322-L324 PolarHBondContact O-N 2.81Å; N322-F325 PolarHBondContact O-N 3.16Å; N322-T326 PolarHBondContact O-N 3.4Å; N322-T326 PolarHBondContact O-OG1 3.05Å; N322-F357 WeakPolarHBondContact ND2-CE1 3.32Å; N322-F366 HydrophobicContact CB-CE1 4.49Å; N322-F366 HydrophobicContact CB-CE2 3.77Å; N322-F366 HydrophobicContact CB-CZ 3.67Å; N322-F366 WeakPolarHBondContact ND2-CE2 3.38Å; N322-M367 HydrophobicContact CB-SD 3.76Å
323L96.5Very high93.9Very high0 Ų035.5 Ų35.50%020%0.196CC..Hα-helixtrans-58.5-48.6176.6175.965.3000112.7V247 T319 T320 H321 F325 T326 L327 M367 I401 F459 F464V247-L323 HydrophobicContact CG2-CD2 4.49Å; T319-L323 PolarHBondContact O-N 3.04Å; T320-L323 PolarHBondContact O-N 3.36Å; H321-L323 VanDerWaalsContact C-N 3.33Å; H321-L323 PolarHBondContact O-N 3.37Å; L323-F325 VanDerWaalsContact C-N 3.31Å; L323-F325 PolarHBondContact O-N 3.47Å; L323-T326 PolarHBondContact O-N 3.4Å; L323-L327 HydrophobicContact CD1-CD1 3.83Å; L323-L327 HydrophobicContact CD1-CG 4.01Å; L323-L327 HydrophobicContact CG-CD1 3.88Å; L323-L327 HydrophobicContact CG-CG 4.4Å; L323-L327 WeakPolarHBondContact O-CB 3.27Å; L323-L327 WeakPolarHBondContact O-CG 3.41Å; L323-L327 PolarHBondContact O-N 3.44Å; L323-M367 HydrophobicContact CB-CE 4.42Å; L323-M367 HydrophobicContact CD1-CE 4.08Å; L323-I401 HydrophobicContact CD1-CD1 3.96Å; L323-I401 HydrophobicContact CD1-CG1 3.93Å; L323-I401 HydrophobicContact CD1-CG2 3.78Å; L323-F459 HydrophobicContact CD2-CB 3.37Å; L323-F459 HydrophobicContact CD2-CD1 3.94Å; L323-F459 HydrophobicContact CD2-CD2 4Å; L323-F459 HydrophobicContact CD2-CG 3.51Å; L323-F464 HydrophobicContact CD2-CD1 4.45Å; L323-F464 HydrophobicContact CD2-CD2 4.22Å; L323-F464 HydrophobicContact CD2-CE2 4.39Å; L323-F464 HydrophobicContact CD2-CG 4.27Å
324L95.3Very high94.1Very high37 Ų3731.8 Ų31.819%0.19418%0.179CC..Hα-helixtrans-60.7-41.2178.9-78.4166.8000111.7T320 H321 N322 L327 S328 F464 Y476 V478T320-L324 HydrophobicContact CG2-CD1 4.03Å; T320-L324 HydrophobicContact CG2-CG 4.44Å; T320-L324 WeakPolarHBondContact O-CB 3.25Å; T320-L324 WeakPolarHBondContact O-CG 3.23Å; T320-L324 PolarHBondContact O-N 2.64Å; H321-L324 PolarHBondContact O-N 3.46Å; N322-L324 PolarHBondContact O-N 2.81Å; L324-L327 PolarHBondContact O-N 3.03Å; L324-S328 WeakPolarHBondContact O-CB 3.47Å; L324-S328 PolarHBondContact O-N 3.29Å; L324-F464 HydrophobicContact CD2-CD2 4Å; L324-F464 HydrophobicContact CD2-CE2 3.64Å; L324-F464 HydrophobicContact CG-CD2 4.34Å; L324-F464 HydrophobicContact CG-CE2 4.32Å; L324-Y476 HydrophobicContact CD2-CD1 4.29Å; L324-V478 HydrophobicContact CD1-CG2 4.14Å
325F95.6Very high93.9Very high36 Ų3634.3 Ų34.316%0.15820%0.195CC..Hα-helixtrans-62.8-46.5175.4176.8-99000111.7H321 N322 L323 L327 S328 K329 C344 F357 F366H321-F325 PolarHBondContact O-N 3.24Å; N322-F325 PolarHBondContact O-N 3.16Å; L323-F325 VanDerWaalsContact C-N 3.31Å; L323-F325 PolarHBondContact O-N 3.47Å; F325-L327 PolarHBondContact O-N 3.27Å; F325-S328 WeakPolarHBondContact O-CB 3.49Å; F325-S328 PolarHBondContact O-N 3.31Å; F325-S328 PolarHBondContact O-OG 3.14Å; F325-K329 VanDerWaalsContact CZ-CE 3.48Å; F325-K329 WeakPolarHBondContact O-CE 3.21Å; F325-C344 HydrophobicContact CE1-CB 4.31Å; F325-C344 HydrophobicContact CZ-CB 4.21Å; F325-F357 HydrophobicContact CB-CD1 4.04Å; F325-F357 HydrophobicContact CD1-CB 4.48Å; F325-F357 HydrophobicContact CD1-CD1 4.04Å; F325-F357 HydrophobicContact CD2-CB 3.8Å; F325-F357 HydrophobicContact CD2-CD1 4.1Å; F325-F357 HydrophobicContact CD2-CG 4.42Å; F325-F357 HydrophobicContact CE1-CB 4.22Å; F325-F357 HydrophobicContact CE1-CD1 4.5Å; F325-F357 HydrophobicContact CE2-CB 3.51Å; F325-F357 HydrophobicContact CG-CB 4.26Å; F325-F357 AromaticContact CG-CD1 3.79Å; F325-F357 HydrophobicContact CG-CD1 3.79Å; F325-F357 HydrophobicContact CZ-CB 3.7Å; F325-F366 HydrophobicContact CD1-CE1 4.06Å; F325-F366 AromaticContact CD1-CZ 3.83Å; F325-F366 HydrophobicContact CD1-CZ 3.83Å
326T97Very high94Very high0 Ų035 Ų350%019%0.192CC..Hα-helixtrans-60-46.4176.1-590000111.6N322 L323 S328 K329 F347 A350 L351 F366 M367N322-T326 PolarHBondContact O-N 3.4Å; N322-T326 PolarHBondContact O-OG1 3.05Å; L323-T326 PolarHBondContact O-N 3.4Å; T326-S328 PolarHBondContact O-N 3.38Å; T326-K329 WeakPolarHBondContact O-CG 3.44Å; T326-K329 PolarHBondContact O-N 3.07Å; T326-F347 HydrophobicContact CG2-CD2 4.1Å; T326-F347 HydrophobicContact CG2-CE2 3.79Å; T326-F347 WeakPolarHBondContact O-CD2 3.37Å; T326-A350 HydrophobicContact CG2-CB 4.25Å; T326-L351 HydrophobicContact CG2-CB 3.73Å; T326-L351 HydrophobicContact CG2-CD1 4.14Å; T326-L351 HydrophobicContact CG2-CG 4.49Å; T326-F366 WeakPolarHBondContact OG1-CE1 3.42Å; T326-M367 HydrophobicContact CG2-CE 4.42Å; T326-M367 WeakPolarHBondContact OG1-CG 3.48Å
327L97.1Very high93.7Very high0 Ų036.5 Ų36.50%020%0.197CC..Hα-helixtrans-66.8-22.4178.9-72.5176.1000112.9L323 L324 F325 K329 F347 I401 L404 W405 F464 Y469L323-L327 HydrophobicContact CD1-CD1 3.83Å; L323-L327 HydrophobicContact CD1-CG 4.01Å; L323-L327 HydrophobicContact CG-CD1 3.88Å; L323-L327 HydrophobicContact CG-CG 4.4Å; L323-L327 WeakPolarHBondContact O-CB 3.27Å; L323-L327 WeakPolarHBondContact O-CG 3.41Å; L323-L327 PolarHBondContact O-N 3.44Å; L324-L327 PolarHBondContact O-N 3.03Å; F325-L327 PolarHBondContact O-N 3.27Å; L327-K329 PolarHBondContact O-N 3.41Å; L327-F347 HydrophobicContact CD2-CE2 4.43Å; L327-I401 HydrophobicContact CD2-CG2 4.09Å; L327-L404 HydrophobicContact CD1-CD2 3.72Å; L327-L404 HydrophobicContact CD2-CD2 4.28Å; L327-L404 HydrophobicContact CD2-CG 4.38Å; L327-W405 HydrophobicContact CD2-CB 4.01Å; L327-F464 HydrophobicContact CD1-CE1 4.49Å; L327-F464 HydrophobicContact CD1-CE2 3.98Å; L327-F464 HydrophobicContact CD1-CZ 3.58Å; L327-Y469 HydrophobicContact CB-CE2 3.82Å; L327-Y469 HydrophobicContact CD1-CD2 4.37Å; L327-Y469 HydrophobicContact CD1-CE1 4.43Å; L327-Y469 HydrophobicContact CD1-CE2 4.22Å; L327-Y469 HydrophobicContact CD2-CE1 4.43Å; L327-Y469 PolarHBondContact O-OH 3.08Å
328S95.7Very high93.2Very high45 Ų4544.1 Ų44.132%0.31523%0.23SC..THydrogen-bonded Turntrans-67.5-16.417877.70000114.5L324 F325 T326 D330L324-S328 WeakPolarHBondContact O-CB 3.47Å; L324-S328 PolarHBondContact O-N 3.29Å; F325-S328 WeakPolarHBondContact O-CB 3.49Å; F325-S328 PolarHBondContact O-N 3.31Å; F325-S328 PolarHBondContact O-OG 3.14Å; T326-S328 PolarHBondContact O-N 3.38Å; S328-D330 PolarHBondContact O-N 3.18Å
329K95.3Very high92.8Very high25 Ų2547.2 Ų47.211%0.10925%0.245CC..  trans-73.7120.7178.8-50.6-53.1166177.30109.1F325 T326 L327 C344 F347 A350 W405F325-K329 VanDerWaalsContact CZ-CE 3.48Å; F325-K329 WeakPolarHBondContact O-CE 3.21Å; T326-K329 WeakPolarHBondContact O-CG 3.44Å; T326-K329 PolarHBondContact O-N 3.07Å; L327-K329 PolarHBondContact O-N 3.41Å; K329-C344 WeakPolarHBondContact CD-O 3.2Å; K329-C344 WeakPolarHBondContact CE-O 3.44Å; K329-C344 PolarHBondContact NZ-O 2.9Å; K329-F347 HydrophobicContact CB-CB 4Å; K329-A350 HydrophobicContact CG-CB 4.26Å; K329-W405 PolarHBondContact O-NE1 2.9Å
330D94.1Very high92.4Very high112 Ų11245.1 Ų45.160%0.59923%0.232SC*.  trans-89.2-24.1-179.957.34.8000112.8S328S328-D330 PolarHBondContact O-N 3.18Å
331T94.5Very high91.8Very high46 Ų4649.9 Ų49.928%0.28225%0.252SS..BIsolated β-bridgetrans-95.6127.6-176.5-55.80000109.9Y333 L334 F347T331-Y333 WeakPolarHBondContact CG2-O 3.32Å; T331-L334 HydrophobicContact CG2-CD2 3.82Å; T331-L334 HydrophobicContact CG2-CG 3.96Å; T331-F347 WeakPolarHBondContact O-CB 3.31Å; T331-F347 PolarHBondContact O-N 3.02Å
332F96Very high91.5Very high6 Ų650.5 Ų50.53%0.02626%0.259CS..SBendtrans-63.1-54.3179.3-178.9-117.5000111.8V209 L212 F347 H348 F402 W405 Y416 F444V209-F332 HydrophobicContact CG2-CD1 4.09Å; V209-F332 HydrophobicContact CG2-CE1 3.47Å; V209-F332 VanDerWaalsContact CG2-CE1 3.47Å; V209-F332 HydrophobicContact CG2-CZ 4.34Å; L212-F332 HydrophobicContact CD1-CE2 3.75Å; L212-F332 HydrophobicContact CD1-CZ 4.41Å; F332-F347 HydrophobicContact CD2-CD1 4.21Å; F332-F347 HydrophobicContact CE2-CD1 4.47Å; F332-F347 PolarHBondContact O-N 3.41Å; F332-H348 HydrophobicContact CE2-CB 4.04Å; F332-H348 HydrophobicContact CZ-CB 4.19Å; F332-H348 PolarHBondContact O-CD2 3.19Å; F332-H348 PolarHBondContact O-N 3.44Å; F332-H348 VanDerWaalsContact O-N 3.16Å; F332-F402 HydrophobicContact CD2-CE2 4.49Å; F332-F402 HydrophobicContact CE2-CE2 4.03Å; F332-F402 HydrophobicContact CE2-CZ 4.35Å; F332-W405 HydrophobicContact CB-CH2 3.68Å; F332-W405 HydrophobicContact CB-CZ2 4.19Å; F332-W405 HydrophobicContact CB-CZ3 4.43Å; F332-W405 HydrophobicContact CD2-CH2 4.02Å; F332-W405 AromaticContact CD2-CZ3 3.99Å; F332-W405 HydrophobicContact CD2-CZ3 3.99Å; F332-W405 HydrophobicContact CG-CH2 4.28Å; F332-Y416 HydrophobicContact CD1-CD2 4.27Å; F332-Y416 AromaticContact CE1-CD2 3.53Å; F332-Y416 HydrophobicContact CE1-CD2 3.53Å; F332-Y416 AromaticContact CE1-CE2 3.73Å; F332-Y416 HydrophobicContact CE1-CE2 3.73Å; F332-Y416 HydrophobicContact CE1-CG 4.37Å; F332-Y416 HydrophobicContact CZ-CD2 4.2Å; F332-Y416 HydrophobicContact CZ-CE2 4.17Å; F332-F444 HydrophobicContact CB-CE2 4.49Å; F332-F444 HydrophobicContact CB-CZ 4.17Å; F332-F444 AromaticContact CD1-CE2 3.77Å; F332-F444 HydrophobicContact CD1-CE2 3.77Å; F332-F444 HydrophobicContact CD1-CZ 4.02Å; F332-F444 AromaticContact CD2-CE2 3.58Å; F332-F444 HydrophobicContact CD2-CE2 3.58Å; F332-F444 HydrophobicContact CD2-CZ 4.08Å; F332-F444 HydrophobicContact CE1-CD2 4.24Å; F332-F444 AromaticContact CE1-CE2 3.78Å; F332-F444 HydrophobicContact CE1-CE2 3.78Å; F332-F444 HydrophobicContact CE1-CZ 4.45Å; F332-F444 HydrophobicContact CE2-CD2 4.32Å; F332-F444 AromaticContact CE2-CE2 3.58Å; F332-F444 HydrophobicContact CE2-CE2 3.58Å; F332-F444 AromaticContact CG-CE2 3.68Å; F332-F444 HydrophobicContact CG-CE2 3.68Å; F332-F444 AromaticContact CG-CZ 3.82Å; F332-F444 HydrophobicContact CG-CZ 3.82Å; F332-F444 HydrophobicContact CZ-CD2 4.11Å; F332-F444 AromaticContact CZ-CE2 3.7Å; F332-F444 HydrophobicContact CZ-CE2 3.7Å
333Y94.2Very high91.2Very high21 Ų2156.4 Ų56.48%0.08229%0.285CS..  trans-141.3143.2-173171-91.4000110.8V209 T331 P335 H348 P417 G420 V421V209-Y333 HydrophobicContact CB-CD2 3.64Å; V209-Y333 HydrophobicContact CB-CE2 4.06Å; V209-Y333 HydrophobicContact CB-CG 4.28Å; V209-Y333 HydrophobicContact CG2-CD2 3.63Å; V209-Y333 HydrophobicContact CG2-CE2 4.48Å; V209-Y333 HydrophobicContact CG2-CG 3.8Å; T331-Y333 WeakPolarHBondContact CG2-O 3.32Å; Y333-P335 HydrophobicContact CE1-CB 4.31Å; Y333-P335 HydrophobicContact CE1-CG 4.1Å; Y333-H348 AromaticContact CD2-CD2 3.8Å; Y333-H348 AromaticContact CD2-NE2 3.26Å; Y333-H348 VanDerWaalsContact CD2-NE2 3.26Å; Y333-H348 WeakPolarHBondContact CD2-NE2 3.48Å; Y333-H348 AromaticContact CE2-NE2 3.91Å; Y333-P417 HydrophobicContact CD1-CB 4.01Å; Y333-P417 HydrophobicContact CD1-CG 3.53Å; Y333-P417 HydrophobicContact CE1-CB 4.25Å; Y333-P417 HydrophobicContact CE1-CG 3.96Å; Y333-P417 HydrophobicContact CG-CG 3.92Å; Y333-G420 PolarHBondContact OH-O 3.32Å; Y333-V421 HydrophobicContact CD1-CG1 4.48Å; Y333-V421 HydrophobicContact CE1-CG1 3.81Å; Y333-V421 HydrophobicContact CE2-CG1 4.23Å
334L90.7Very high91Very high22 Ų2256.4 Ų56.412%0.11529%0.285CS..  trans-119.2128.5173.1-73.5168.2000111.2T331 Q336 D340 R345T331-L334 HydrophobicContact CG2-CD2 3.82Å; T331-L334 HydrophobicContact CG2-CG 3.96Å; L334-Q336 PolarHBondContact O-N 3.09Å; L334-D340 HydrophobicContact CB-CB 3.98Å; L334-D340 HydrophobicContact CD1-CB 4.23Å; L334-R345 HydrophobicContact CD1-CB 3.28Å; L334-R345 HydrophobicContact CD1-CG 4.32Å
335P85.8Confident90.9Very high79 Ų7960.2 Ų60.251%0.51330%0.297SS..SBendtrans-60.9-26.1178-24.333.9000114.3Y333 V337Y333-P335 HydrophobicContact CE1-CB 4.31Å; Y333-P335 HydrophobicContact CE1-CG 4.1Å; P335-V337 PolarHBondContact O-N 3Å
336Q87.9Confident90.9Very high103 Ų10358.5 Ų58.548%0.48129%0.289SS..  trans-80.163.9177.6-58.977.322.700110.7L334 K338 E339 D340L334-Q336 PolarHBondContact O-N 3.09Å; Q336-K338 PolarHBondContact O-N 3.46Å; Q336-E339 HydrophobicContact CB-CB 3.96Å; Q336-E339 PolarHBondContact O-N 3.5Å; Q336-D340 PolarHBondContact O-N 3.09Å
337V82.4Confident90.9Very high75 Ų7558.5 Ų58.546%0.45529%0.289SS..Hα-helixtrans-48.4-41.6-170.1179.50000113.4P335 D340 F341P335-V337 PolarHBondContact O-N 3Å; V337-D340 PolarHBondContact O-N 3.49Å; V337-F341 WeakPolarHBondContact O-CB 3.3Å; V337-F341 PolarHBondContact O-N 3.33Å
338K84.6Confident90.8Very high166 Ų16658.7 Ų58.772%0.72229%0.29SS*.Hα-helixtrans-66.2-47.1178-172.9-179.8179.3-176.10112.6Q336 D340 F341 D342Q336-K338 PolarHBondContact O-N 3.46Å; K338-D340 VanDerWaalsContact C-N 3.26Å; K338-D340 PolarHBondContact O-N 3.39Å; K338-F341 PolarHBondContact O-N 3.22Å; K338-D342 VanDerWaalsContact O-CG 3.23Å; K338-D342 PolarHBondContact O-N 3.49Å
339E85.9Confident90.8Very high65 Ų6557.2 Ų57.230%0.30428%0.278SS..Hα-helixtrans-63.2-39.2176.3-176.2-173.1172.900110.7Q336 D342 K343 R345Q336-E339 HydrophobicContact CB-CB 3.96Å; Q336-E339 PolarHBondContact O-N 3.5Å; E339-D342 PolarHBondContact O-N 3Å; E339-K343 HydrophobicContact CG-CD 3.89Å; E339-K343 HydrophobicContact CG-CG 4.42Å; E339-K343 WeakPolarHBondContact O-CB 3.47Å; E339-K343 PolarHBondContact O-N 3.32Å; E339-K343 IonicContact OE1-NZ 3.5Å; E339-K343 PolarHBondContact OE1-NZ 3.31Å; E339-R345 IonicContact OE1-NH1 2.98Å
340D87.3Confident90.8Very high1 Ų156 Ų561%0.00527%0.273CS..Hα-helixtrans-64.6-42.3177.7-169.522.5000111.8L334 Q336 V337 K338 C344 R345 G346 Q349L334-D340 HydrophobicContact CB-CB 3.98Å; L334-D340 HydrophobicContact CD1-CB 4.23Å; Q336-D340 PolarHBondContact O-N 3.09Å; V337-D340 PolarHBondContact O-N 3.49Å; K338-D340 VanDerWaalsContact C-N 3.26Å; K338-D340 PolarHBondContact O-N 3.39Å; D340-C344 WeakPolarHBondContact O-CA 3.3Å; D340-C344 PolarHBondContact O-N 2.75Å; D340-R345 VanDerWaalsContact OD1-CA 3.29Å; D340-R345 WeakPolarHBondContact OD1-CA 3.21Å; D340-R345 WeakPolarHBondContact OD1-CB 3.5Å; D340-R345 PolarHBondContact OD1-N 3.29Å; D340-G346 PolarHBondContact OD1-N 2.49Å; D340-G346 PolarHBondContact OD2-N 2.94Å; D340-Q349 VanDerWaalsContact CG-NE2 3.25Å; D340-Q349 PolarHBondContact OD2-NE2 3.16Å
341F83.7Confident91Very high103 Ų10350.7 Ų50.745%0.45224%0.244SC..Hα-helixtrans-59.7-48.2173.8-172.1-90.9000111.4V337 K338 K343 F354V337-F341 WeakPolarHBondContact O-CB 3.3Å; V337-F341 PolarHBondContact O-N 3.33Å; K338-F341 PolarHBondContact O-N 3.22Å; F341-K343 PolarHBondContact O-N 2.88Å; F341-F354 HydrophobicContact CD2-CB 4.47Å; F341-F354 HydrophobicContact CE2-CB 4.06Å; F341-F354 VanDerWaalsContact CE2-O 3.31Å; F341-F354 WeakPolarHBondContact CE2-O 3.43Å
342D85.9Confident91.2Very high114 Ų11448.5 Ų48.561%0.6123%0.231SC*.Hα-helixtrans-67.5-36.4-177.1-67.2-21.3000112.9K338 E339K338-D342 VanDerWaalsContact O-CG 3.23Å; K338-D342 PolarHBondContact O-N 3.49Å; E339-D342 PolarHBondContact O-N 3Å
343K89.8Confident91.2Very high128 Ų12848.3 Ų48.356%0.55723%0.231SC*.Hα-helixtrans-103.2-6.7-176.1-63.1-176.8-174.3169.50114.1E339 F341 R345E339-K343 HydrophobicContact CG-CD 3.89Å; E339-K343 HydrophobicContact CG-CG 4.42Å; E339-K343 WeakPolarHBondContact O-CB 3.47Å; E339-K343 PolarHBondContact O-N 3.32Å; E339-K343 IonicContact OE1-NZ 3.5Å; E339-K343 PolarHBondContact OE1-NZ 3.31Å; F341-K343 PolarHBondContact O-N 2.88Å; K343-R345 HydrophobicContact CB-CG 3.83Å
344C93.5Very high91.1Very high1 Ų150.1 Ų50.11%0.00724%0.239CC..THydrogen-bonded Turntrans44.965.9-174.6-160.50000113.4F325 K329 D340 C355 S356F325-C344 HydrophobicContact CE1-CB 4.31Å; F325-C344 HydrophobicContact CZ-CB 4.21Å; K329-C344 WeakPolarHBondContact CD-O 3.2Å; K329-C344 WeakPolarHBondContact CE-O 3.44Å; K329-C344 PolarHBondContact NZ-O 2.9Å; D340-C344 WeakPolarHBondContact O-CA 3.3Å; D340-C344 PolarHBondContact O-N 2.75Å; C344-C355 WeakPolarHBondContact CA-SG 3.31Å; C344-C355 HydrophobicContact CB-CB 3.42Å; C344-C355 VanDerWaalsContact CB-CB 3.42Å; C344-C355 WeakPolarHBondContact CB-SG 3.5Å; C344-C355 WeakPolarHBondContact SG-CB 3.41Å; C344-C355 PolarHBondContact SG-O 3.27Å; C344-C355 VanDerWaalsContact SG-O 3.41Å; C344-C355 CovalentContact SG-SG 2.04Å; C344-C355 PolarHBondContact SG-SG 2.67Å; C344-S356 VanDerWaalsContact CB-O 3.32Å; C344-S356 WeakPolarHBondContact CB-O 3.34Å; C344-S356 PolarHBondContact SG-N 3.27Å; C344-S356 VanDerWaalsContact SG-N 3.45Å
345R93.1Very high91.2Very high116 Ų11649.5 Ų49.544%0.43824%0.236SC..  trans-102-31-172.9-69.3179.366-171.9-1.5113.3L334 E339 D340 K343L334-R345 HydrophobicContact CD1-CB 3.28Å; L334-R345 HydrophobicContact CD1-CG 4.32Å; E339-R345 IonicContact OE1-NH1 2.98Å; D340-R345 VanDerWaalsContact OD1-CA 3.29Å; D340-R345 WeakPolarHBondContact OD1-CA 3.21Å; D340-R345 WeakPolarHBondContact OD1-CB 3.5Å; D340-R345 PolarHBondContact OD1-N 3.29Å; K343-R345 HydrophobicContact CB-CG 3.83Å
346G94.7Very high91.6Very high0 Ų047 Ų470%022%0.221CC..BIsolated β-bridgetrans-80.4133.3179.600000111.4D340 H348 A350D340-G346 PolarHBondContact OD1-N 2.49Å; D340-G346 PolarHBondContact OD2-N 2.94Å; G346-H348 VanDerWaalsContact C-N 3.35Å; G346-H348 PolarHBondContact O-N 2.88Å; G346-A350 PolarHBondContact O-N 2.91Å
347F96.9Very high91.8Very high0 Ų044 Ų440%021%0.207CC..Hα-helixtrans-60.8-42.9178.3174.5-102.2000112.3L212 T326 L327 K329 T331 F332 Q349 A350 L351 I401 F402 W405L212-F347 HydrophobicContact CD1-CD1 3.94Å; L212-F347 HydrophobicContact CD1-CE1 3.68Å; T326-F347 HydrophobicContact CG2-CD2 4.1Å; T326-F347 HydrophobicContact CG2-CE2 3.79Å; T326-F347 WeakPolarHBondContact O-CD2 3.37Å; L327-F347 HydrophobicContact CD2-CE2 4.43Å; K329-F347 HydrophobicContact CB-CB 4Å; T331-F347 WeakPolarHBondContact O-CB 3.31Å; T331-F347 PolarHBondContact O-N 3.02Å; F332-F347 HydrophobicContact CD2-CD1 4.21Å; F332-F347 HydrophobicContact CE2-CD1 4.47Å; F332-F347 PolarHBondContact O-N 3.41Å; F347-Q349 PolarHBondContact O-N 3.07Å; F347-A350 PolarHBondContact O-N 3.47Å; F347-L351 HydrophobicContact CE1-CB 4.37Å; F347-L351 HydrophobicContact CE1-CD2 3.71Å; F347-L351 HydrophobicContact CE2-CB 4.46Å; F347-L351 HydrophobicContact CE2-CD2 4.37Å; F347-L351 HydrophobicContact CZ-CB 4.21Å; F347-L351 HydrophobicContact CZ-CD2 3.47Å; F347-L351 VanDerWaalsContact CZ-CD2 3.47Å; F347-L351 HydrophobicContact CZ-CG 4.41Å; F347-L351 WeakPolarHBondContact O-CB 3.38Å; F347-L351 PolarHBondContact O-N 2.82Å; F347-I401 HydrophobicContact CZ-CG2 4.46Å; F347-F402 HydrophobicContact CD1-CD2 4.49Å; F347-F402 HydrophobicContact CE1-CB 4.37Å; F347-F402 AromaticContact CE1-CD2 3.69Å; F347-F402 HydrophobicContact CE1-CD2 3.69Å; F347-F402 HydrophobicContact CE1-CG 4.41Å; F347-F402 HydrophobicContact CZ-CD2 4.5Å; F347-W405 HydrophobicContact CB-CD2 4.41Å; F347-W405 HydrophobicContact CB-CZ2 4.16Å; F347-W405 AromaticContact CD1-CD2 3.68Å; F347-W405 HydrophobicContact CD1-CD2 3.68Å; F347-W405 AromaticContact CD1-CE2 3.95Å; F347-W405 HydrophobicContact CD1-CE3 4.02Å; F347-W405 AromaticContact CD1-CG 3.9Å; F347-W405 HydrophobicContact CD1-CG 3.9Å; F347-W405 HydrophobicContact CD2-CB 4.17Å; F347-W405 AromaticContact CD2-CD1 3.09Å; F347-W405 HydrophobicContact CD2-CD2 4.04Å; F347-W405 AromaticContact CD2-CG 3.52Å; F347-W405 HydrophobicContact CD2-CG 3.52Å; F347-W405 AromaticContact CD2-NE1 3.39Å; F347-W405 HydrophobicContact CE1-CB 3.94Å; F347-W405 AromaticContact CE1-CD2 3.86Å; F347-W405 HydrophobicContact CE1-CD2 3.86Å; F347-W405 HydrophobicContact CE1-CE3 4.11Å; F347-W405 AromaticContact CE1-CG 3.77Å; F347-W405 HydrophobicContact CE1-CG 3.77Å; F347-W405 HydrophobicContact CE2-CB 3.49Å; F347-W405 VanDerWaalsContact CE2-CB 3.49Å; F347-W405 AromaticContact CE2-CD1 3.29Å; F347-W405 HydrophobicContact CE2-CD2 4.19Å; F347-W405 AromaticContact CE2-CG 3.36Å; F347-W405 HydrophobicContact CE2-CG 3.36Å; F347-W405 AromaticContact CG-CD1 3.56Å; F347-W405 AromaticContact CG-CD2 3.76Å; F347-W405 HydrophobicContact CG-CD2 3.76Å; F347-W405 AromaticContact CG-CE2 3.64Å; F347-W405 AromaticContact CG-CG 3.76Å; F347-W405 HydrophobicContact CG-CG 3.76Å; F347-W405 HydrophobicContact CG-CZ2 4.38Å; F347-W405 AromaticContact CG-NE1 3.41Å; F347-W405 HydrophobicContact CZ-CB 3.33Å; F347-W405 AromaticContact CZ-CD1 3.92Å; F347-W405 HydrophobicContact CZ-CD2 4.1Å; F347-W405 AromaticContact CZ-CG 3.48Å; F347-W405 HydrophobicContact CZ-CG 3.48Å; F347-W405 VanDerWaalsContact CZ-CG 3.48Å
348H95.9Very high92.1Very high5 Ų546.7 Ų46.72%0.02323%0.226CC..Hα-helixtrans-62.7-45.2-174.582.892.1000111.8L212 F332 Y333 G346 L351 E352L212-H348 HydrophobicContact CD1-CB 4.09Å; F332-H348 HydrophobicContact CE2-CB 4.04Å; F332-H348 HydrophobicContact CZ-CB 4.19Å; F332-H348 PolarHBondContact O-CD2 3.19Å; F332-H348 PolarHBondContact O-N 3.44Å; F332-H348 VanDerWaalsContact O-N 3.16Å; Y333-H348 AromaticContact CD2-CD2 3.8Å; Y333-H348 AromaticContact CD2-NE2 3.26Å; Y333-H348 VanDerWaalsContact CD2-NE2 3.26Å; Y333-H348 WeakPolarHBondContact CD2-NE2 3.48Å; Y333-H348 AromaticContact CE2-NE2 3.91Å; G346-H348 VanDerWaalsContact C-N 3.35Å; G346-H348 PolarHBondContact O-N 2.88Å; H348-L351 PolarHBondContact O-N 2.86Å; H348-E352 VanDerWaalsContact O-CB 3.25Å; H348-E352 WeakPolarHBondContact O-CB 3.48Å; H348-E352 PolarHBondContact O-N 3.01Å
349Q94.2Very high92.3Very high13 Ų1342.9 Ų42.96%0.06123%0.233CC..Hα-helixtrans-65.6-41.6178.4-61-161.45200112.1D340 F347 L351 G353 F354D340-Q349 VanDerWaalsContact CG-NE2 3.25Å; D340-Q349 PolarHBondContact OD2-NE2 3.16Å; F347-Q349 PolarHBondContact O-N 3.07Å; Q349-L351 VanDerWaalsContact C-N 3.35Å; Q349-G353 PolarHBondContact O-N 3.21Å; Q349-F354 PolarHBondContact O-N 3.14Å
350A96.4Very high92.5Very high0 Ų041.1 Ų41.10%023%0.226CC..Hα-helixtrans-66.5-35.917900000112.2T326 K329 G346 F347 F366T326-A350 HydrophobicContact CG2-CB 4.25Å; K329-A350 HydrophobicContact CG-CB 4.26Å; G346-A350 PolarHBondContact O-N 2.91Å; F347-A350 PolarHBondContact O-N 3.47Å; A350-F366 VanDerWaalsContact O-CD1 3.31Å; A350-F366 WeakPolarHBondContact O-CD1 3.35Å
351L98.1Very high92.3Very high0 Ų046.5 Ų46.50%025%0.254CS..Hα-helixtrans-77.2-41177.3-179.254.7000111.9L212 T326 F347 H348 Q349 G353 M367 H368 I398 I401 F402L212-L351 HydrophobicContact CD1-CD2 4.21Å; L212-L351 HydrophobicContact CD2-CD2 3.6Å; L212-L351 HydrophobicContact CD2-CG 4.18Å; T326-L351 HydrophobicContact CG2-CB 3.73Å; T326-L351 HydrophobicContact CG2-CD1 4.14Å; T326-L351 HydrophobicContact CG2-CG 4.49Å; F347-L351 HydrophobicContact CE1-CB 4.37Å; F347-L351 HydrophobicContact CE1-CD2 3.71Å; F347-L351 HydrophobicContact CE2-CB 4.46Å; F347-L351 HydrophobicContact CE2-CD2 4.37Å; F347-L351 HydrophobicContact CZ-CB 4.21Å; F347-L351 HydrophobicContact CZ-CD2 3.47Å; F347-L351 VanDerWaalsContact CZ-CD2 3.47Å; F347-L351 HydrophobicContact CZ-CG 4.41Å; F347-L351 WeakPolarHBondContact O-CB 3.38Å; F347-L351 PolarHBondContact O-N 2.82Å; H348-L351 PolarHBondContact O-N 2.86Å; Q349-L351 VanDerWaalsContact C-N 3.35Å; L351-G353 PolarHBondContact O-N 2.95Å; L351-M367 HydrophobicContact CD1-CE 3.99Å; L351-M367 VanDerWaalsContact O-CB 3.24Å; L351-M367 WeakPolarHBondContact O-CB 3.29Å; L351-H368 WeakPolarHBondContact O-CB 3.06Å; L351-H368 PolarHBondContact O-N 3.39Å; L351-I398 HydrophobicContact CD1-CD1 4.29Å; L351-I398 HydrophobicContact CD1-CG2 4.47Å; L351-I398 HydrophobicContact CD2-CG2 4.11Å; L351-I398 HydrophobicContact CG-CG2 4.13Å; L351-I401 HydrophobicContact CD1-CB 4.07Å; L351-I401 HydrophobicContact CD1-CD1 4.1Å; L351-I401 HydrophobicContact CD1-CG2 3.75Å; L351-I401 HydrophobicContact CD2-CB 4.29Å; L351-I401 HydrophobicContact CD2-CG2 4.11Å; L351-F402 HydrophobicContact CD2-CB 4.11Å
352E97.5Very high92.3Very high1 Ų144 Ų441%0.00525%0.25CC..Hα-helixtrans-61.3-37.3174.6-169.3170-171.100111.5H206 E207 F211 H348 F354 H368 N369H206-E352 WeakPolarHBondContact CA-OE1 3.35Å; H206-E352 WeakPolarHBondContact CB-OE1 3.03Å; E207-E352 PolarHBondContact N-OE1 3.21Å; F211-E352 HydrophobicContact CD1-CB 3.61Å; F211-E352 HydrophobicContact CD1-CG 3.71Å; F211-E352 HydrophobicContact CD2-CG 3.93Å; F211-E352 WeakPolarHBondContact CD2-OE1 3.31Å; F211-E352 HydrophobicContact CE1-CB 3.65Å; F211-E352 HydrophobicContact CE1-CG 3.78Å; F211-E352 HydrophobicContact CE2-CG 3.99Å; F211-E352 HydrophobicContact CG-CB 4.21Å; F211-E352 VanDerWaalsContact CG-CD 3.45Å; F211-E352 HydrophobicContact CG-CG 3.82Å; F211-E352 HydrophobicContact CZ-CB 4.25Å; F211-E352 HydrophobicContact CZ-CG 3.93Å; H348-E352 VanDerWaalsContact O-CB 3.25Å; H348-E352 WeakPolarHBondContact O-CB 3.48Å; H348-E352 PolarHBondContact O-N 3.01Å; E352-F354 HydrophobicContact CB-CD2 4.15Å; E352-F354 VanDerWaalsContact CD-CE2 3.45Å; E352-F354 HydrophobicContact CG-CD2 3.65Å; E352-F354 HydrophobicContact CG-CE2 3.58Å; E352-F354 WeakPolarHBondContact OE1-CE2 3.01Å; E352-H368 VanDerWaalsContact O-CB 3.25Å; E352-H368 WeakPolarHBondContact O-CB 3.32Å; E352-H368 PolarHBondContact O-ND1 2.72Å; E352-H368 VanDerWaalsContact O-ND1 3.11Å; E352-N369 PolarHBondContact O-N 2.76Å; E352-N369 PolarHBondContact O-ND2 3.09Å; E352-N369 PolarHBondContact O-OD1 3.43Å; E352-N369 VanDerWaalsContact O-OD1 3.06Å
353G96.6Very high92.4Very high2 Ų243.4 Ų43.42%0.02125%0.25CS..THydrogen-bonded Turntrans108.721.3168.500000115.1Q349 L351 F366Q349-G353 PolarHBondContact O-N 3.21Å; L351-G353 PolarHBondContact O-N 2.95Å; G353-F366 WeakPolarHBondContact CA-O 3.31Å; G353-F366 PolarHBondContact O-N 2.76Å
354F92.2Very high92.2Very high59 Ų5940.7 Ų40.726%0.25924%0.237SC..SBendtrans-84.3-17.7178.1-78.4-74.2000113.8E207 F341 Q349 E352 N369E207-F354 HydrophobicContact CB-CE2 4.43Å; E207-F354 HydrophobicContact CB-CZ 4.5Å; E207-F354 HydrophobicContact CG-CD1 4.21Å; E207-F354 HydrophobicContact CG-CD2 3.99Å; E207-F354 HydrophobicContact CG-CE1 3.56Å; E207-F354 HydrophobicContact CG-CE2 3.31Å; E207-F354 HydrophobicContact CG-CG 4.41Å; E207-F354 HydrophobicContact CG-CZ 3.08Å; E207-F354 WeakPolarHBondContact OE1-CE1 3.32Å; E207-F354 WeakPolarHBondContact OE1-CZ 3.32Å; F341-F354 HydrophobicContact CD2-CB 4.47Å; F341-F354 HydrophobicContact CE2-CB 4.06Å; F341-F354 VanDerWaalsContact CE2-O 3.31Å; F341-F354 WeakPolarHBondContact CE2-O 3.43Å; Q349-F354 PolarHBondContact O-N 3.14Å; E352-F354 HydrophobicContact CB-CD2 4.15Å; E352-F354 VanDerWaalsContact CD-CE2 3.45Å; E352-F354 HydrophobicContact CG-CD2 3.65Å; E352-F354 HydrophobicContact CG-CE2 3.58Å; E352-F354 WeakPolarHBondContact OE1-CE2 3.01Å; F354-N369 VanDerWaalsContact CE2-ND2 3.3Å; F354-N369 WeakPolarHBondContact CE2-ND2 3.44Å; F354-N369 VanDerWaalsContact CZ-ND2 3.33Å; F354-N369 WeakPolarHBondContact CZ-ND2 3.04Å
355C93Very high92.2Very high8 Ų842.4 Ų42.45%0.05425%0.25CC..  trans-136.4158177.772.30000111C344 F366C344-C355 WeakPolarHBondContact CA-SG 3.31Å; C344-C355 HydrophobicContact CB-CB 3.42Å; C344-C355 VanDerWaalsContact CB-CB 3.42Å; C344-C355 WeakPolarHBondContact CB-SG 3.5Å; C344-C355 WeakPolarHBondContact SG-CB 3.41Å; C344-C355 PolarHBondContact SG-O 3.27Å; C344-C355 VanDerWaalsContact SG-O 3.41Å; C344-C355 CovalentContact SG-SG 2.04Å; C344-C355 PolarHBondContact SG-SG 2.67Å; C355-F366 VanDerWaalsContact O-CD1 3.31Å; C355-F366 WeakPolarHBondContact O-CD1 3.3Å
356S93.8Very high92.3Very high28 Ų2837 Ų3720%0.19623%0.229CC..  trans-143.2-177.7-176.261.90000111.2C344 S362C344-S356 VanDerWaalsContact CB-O 3.32Å; C344-S356 WeakPolarHBondContact CB-O 3.34Å; C344-S356 PolarHBondContact SG-N 3.27Å; C344-S356 VanDerWaalsContact SG-N 3.45Å; S356-S362 PolarHBondContact OG-OG 2.98Å
357F93Very high92.4Very high39 Ų3937 Ų3717%0.17123%0.229CC..  trans-78.2154.217050.4-97.2000110.9H321 N322 F325 G359 D360 F366H321-F357 AromaticContact CD2-CE1 3.51Å; H321-F357 AromaticContact CD2-CZ 3.48Å; H321-F357 VanDerWaalsContact CD2-CZ 3.48Å; H321-F357 WeakPolarHBondContact CD2-CZ 3.18Å; H321-F357 AromaticContact NE2-CE1 3.67Å; H321-F357 AromaticContact NE2-CZ 3.68Å; N322-F357 WeakPolarHBondContact ND2-CE1 3.32Å; F325-F357 HydrophobicContact CB-CD1 4.04Å; F325-F357 HydrophobicContact CD1-CB 4.48Å; F325-F357 HydrophobicContact CD1-CD1 4.04Å; F325-F357 HydrophobicContact CD2-CB 3.8Å; F325-F357 HydrophobicContact CD2-CD1 4.1Å; F325-F357 HydrophobicContact CD2-CG 4.42Å; F325-F357 HydrophobicContact CE1-CB 4.22Å; F325-F357 HydrophobicContact CE1-CD1 4.5Å; F325-F357 HydrophobicContact CE2-CB 3.51Å; F325-F357 HydrophobicContact CG-CB 4.26Å; F325-F357 AromaticContact CG-CD1 3.79Å; F325-F357 HydrophobicContact CG-CD1 3.79Å; F325-F357 HydrophobicContact CZ-CB 3.7Å; F357-G359 PolarHBondContact O-N 3.08Å; F357-D360 HydrophobicContact CD2-CB 3.82Å; F357-D360 HydrophobicContact CE1-CB 4.34Å; F357-D360 HydrophobicContact CE2-CB 3.51Å; F357-D360 HydrophobicContact CG-CB 4.34Å; F357-D360 HydrophobicContact CZ-CB 3.78Å; F357-D360 WeakPolarHBondContact CZ-OD1 3.37Å; F357-D360 WeakPolarHBondContact O-CB 3.12Å; F357-D360 PolarHBondContact O-N 2.81Å; F357-D360 VanDerWaalsContact O-N 3.13Å; F357-F366 HydrophobicContact CD1-CE2 4.2Å; F357-F366 HydrophobicContact CD1-CZ 4.32Å; F357-F366 AromaticContact CE1-CE2 3.9Å; F357-F366 HydrophobicContact CE1-CE2 3.9Å; F357-F366 HydrophobicContact CE1-CZ 4.26Å
358P89.2Confident92.5Very high132 Ų13237.2 Ų37.286%0.85723%0.23SC*.THydrogen-bonded Turntrans-54.1128.7175.8-25.934.7000112.3
359G87.6Confident92.6Very high85 Ų8538 Ų3888%0.87623%0.234SC*.THydrogen-bonded Turntrans85.31.1179.300000115.6F357F357-G359 PolarHBondContact O-N 3.08Å
360D89.4Confident92.7Very high29 Ų2938.1 Ų38.116%0.15524%0.235CC..  trans-60.4139.4169-177.269000110.8F357 S362F357-D360 HydrophobicContact CD2-CB 3.82Å; F357-D360 HydrophobicContact CE1-CB 4.34Å; F357-D360 HydrophobicContact CE2-CB 3.51Å; F357-D360 HydrophobicContact CG-CB 4.34Å; F357-D360 HydrophobicContact CZ-CB 3.78Å; F357-D360 WeakPolarHBondContact CZ-OD1 3.37Å; F357-D360 WeakPolarHBondContact O-CB 3.12Å; F357-D360 PolarHBondContact O-N 2.81Å; F357-D360 VanDerWaalsContact O-N 3.13Å; D360-S362 VanDerWaalsContact C-N 3.32Å; D360-S362 PolarHBondContact O-N 3.11Å; D360-S362 PolarHBondContact OD2-OG 2.97Å
361N84.9Confident92.7Very high113 Ų11338.1 Ų38.160%0.60424%0.235SC*.  trans-77.889169.1-177.1-7.9000109.4T363N361-T363 VanDerWaalsContact C-N 3.26Å; N361-T363 PolarHBondContact O-N 3.37Å; N361-T363 VanDerWaalsContact OD1-CB 3.29Å; N361-T363 WeakPolarHBondContact OD1-CB 3.31Å; N361-T363 PolarHBondContact OD1-N 3.47Å; N361-T363 VanDerWaalsContact OD1-N 3.1Å; N361-T363 PolarHBondContact OD1-OG1 2.87Å
362S82.5Confident92.7Very high51 Ų5138.5 Ų38.536%0.35724%0.236SC..G310 helixtrans-8723.3179.8-53.90000113.5S356 D360 Y364 S365S356-S362 PolarHBondContact OG-OG 2.98Å; D360-S362 VanDerWaalsContact C-N 3.32Å; D360-S362 PolarHBondContact O-N 3.11Å; D360-S362 PolarHBondContact OD2-OG 2.97Å; S362-Y364 PolarHBondContact O-N 3.14Å; S362-Y364 VanDerWaalsContact O-N 3.12Å; S362-S365 PolarHBondContact O-N 3.12Å
363T88.2Confident92.6Very high101 Ų10140.8 Ų40.862%0.6225%0.249SC*.G310 helixtrans-50.1-37.6175.2-68.80000112.7N361N361-T363 VanDerWaalsContact C-N 3.26Å; N361-T363 PolarHBondContact O-N 3.37Å; N361-T363 VanDerWaalsContact OD1-CB 3.29Å; N361-T363 WeakPolarHBondContact OD1-CB 3.31Å; N361-T363 PolarHBondContact OD1-N 3.47Å; N361-T363 VanDerWaalsContact OD1-N 3.1Å; N361-T363 PolarHBondContact OD1-OG1 2.87Å
364Y85.4Confident92.5Very high71 Ų7140.7 Ų40.728%0.27825%0.248SC..G310 helixtrans-108.420.7177.2-62.1-78.2000112.3E313 S362 K370 N373 V374E313-Y364 HydrophobicContact CB-CE1 3.72Å; E313-Y364 PolarHBondContact O-OH 2.75Å; E313-Y364 VanDerWaalsContact O-OH 3.13Å; S362-Y364 PolarHBondContact O-N 3.14Å; S362-Y364 VanDerWaalsContact O-N 3.12Å; Y364-K370 WeakPolarHBondContact O-CA 3.25Å; Y364-N373 HydrophobicContact CD1-CB 4.4Å; Y364-N373 PolarHBondContact O-ND2 3.18Å; Y364-V374 HydrophobicContact CG-CG2 4.36Å
365S94.1Very high92.7Very high38 Ų3837.9 Ų37.927%0.26624%0.236SC..  trans65.3-164.6-169.9-42.30000113.2S362 N373S362-S365 PolarHBondContact O-N 3.12Å; S365-N373 PolarHBondContact OG-ND2 2.82Å; S365-N373 VanDerWaalsContact OG-ND2 3.15Å
366F95.4Very high92.8Very high2 Ų238.4 Ų38.41%0.00924%0.239CC..SBendtrans-119.5162.8-173.6-162.4-111.9000111.6N322 F325 T326 A350 G353 C355 F357 H368 N369 K370N322-F366 HydrophobicContact CB-CE1 4.49Å; N322-F366 HydrophobicContact CB-CE2 3.77Å; N322-F366 HydrophobicContact CB-CZ 3.67Å; N322-F366 WeakPolarHBondContact ND2-CE2 3.38Å; F325-F366 HydrophobicContact CD1-CE1 4.06Å; F325-F366 AromaticContact CD1-CZ 3.83Å; F325-F366 HydrophobicContact CD1-CZ 3.83Å; T326-F366 WeakPolarHBondContact OG1-CE1 3.42Å; A350-F366 VanDerWaalsContact O-CD1 3.31Å; A350-F366 WeakPolarHBondContact O-CD1 3.35Å; G353-F366 WeakPolarHBondContact CA-O 3.31Å; G353-F366 PolarHBondContact O-N 2.76Å; C355-F366 VanDerWaalsContact O-CD1 3.31Å; C355-F366 WeakPolarHBondContact O-CD1 3.3Å; F357-F366 HydrophobicContact CD1-CE2 4.2Å; F357-F366 HydrophobicContact CD1-CZ 4.32Å; F357-F366 AromaticContact CE1-CE2 3.9Å; F357-F366 HydrophobicContact CE1-CE2 3.9Å; F357-F366 HydrophobicContact CE1-CZ 4.26Å; F366-H368 PolarHBondContact O-N 2.8Å; F366-N369 PolarHBondContact O-N 3.49Å; F366-K370 PolarHBondContact O-N 3.2Å
367M97.2Very high92.8Very high0 Ų037.5 Ų37.50%023%0.234CC..Hα-helixtrans33.8-111.9173.7-64.1-63.5-78.900116.5W246 P318 N322 L323 T326 L351 K370 V371 I401W246-M367 HydrophobicContact CH2-CE 3.94Å; W246-M367 HydrophobicContact CH2-SD 4.15Å; P318-M367 HydrophobicContact CB-SD 3.85Å; P318-M367 WeakPolarHBondContact CG-O 3.14Å; N322-M367 HydrophobicContact CB-SD 3.76Å; L323-M367 HydrophobicContact CB-CE 4.42Å; L323-M367 HydrophobicContact CD1-CE 4.08Å; T326-M367 HydrophobicContact CG2-CE 4.42Å; T326-M367 WeakPolarHBondContact OG1-CG 3.48Å; L351-M367 HydrophobicContact CD1-CE 3.99Å; L351-M367 VanDerWaalsContact O-CB 3.24Å; L351-M367 WeakPolarHBondContact O-CB 3.29Å; M367-K370 WeakPolarHBondContact O-CB 3.22Å; M367-K370 PolarHBondContact O-N 2.95Å; M367-V371 PolarHBondContact O-N 3.04Å; M367-I401 HydrophobicContact CE-CD1 3.87Å
368H98.2Very high92.9Very high4 Ų435.6 Ų35.62%0.01923%0.226CC..Hα-helixtrans-58.3-55.9-178.2155.1-89.5000111.9F211 L351 E352 F366 K370 V371 H372 H394 H395 I398F211-H368 AromaticContact CE2-CE1 3.62Å; F211-H368 AromaticContact CE2-NE2 3.63Å; F211-H368 HydrophobicContact CZ-CB 4.35Å; F211-H368 AromaticContact CZ-CD2 3.66Å; F211-H368 AromaticContact CZ-CE1 3.75Å; F211-H368 AromaticContact CZ-CG 3.71Å; F211-H368 AromaticContact CZ-ND1 3.77Å; F211-H368 AromaticContact CZ-NE2 3.64Å; L351-H368 WeakPolarHBondContact O-CB 3.06Å; L351-H368 PolarHBondContact O-N 3.39Å; E352-H368 VanDerWaalsContact O-CB 3.25Å; E352-H368 WeakPolarHBondContact O-CB 3.32Å; E352-H368 PolarHBondContact O-ND1 2.72Å; E352-H368 VanDerWaalsContact O-ND1 3.11Å; F366-H368 PolarHBondContact O-N 2.8Å; H368-K370 PolarHBondContact O-N 2.65Å; H368-K370 VanDerWaalsContact O-N 3.14Å; H368-V371 PolarHBondContact O-N 2.87Å; H368-H372 AromaticContact CD2-CD2 3.66Å; H368-H372 AromaticContact CD2-NE2 3.57Å; H368-H372 AromaticContact CE1-CD2 3.57Å; H368-H372 AromaticContact CE1-NE2 3.73Å; H368-H372 AromaticContact NE2-CD2 3.38Å; H368-H372 PolarHBondContact NE2-CD2 3.41Å; H368-H372 AromaticContact NE2-NE2 3.11Å; H368-H372 PolarHBondContact NE2-NE2 3.45Å; H368-H372 VanDerWaalsContact NE2-NE2 3.11Å; H368-H372 PolarHBondContact O-N 2.71Å; H368-H394 AromaticContact CD2-CD2 3.82Å; H368-H394 AromaticContact CD2-NE2 3.16Å; H368-H394 PolarHBondContact CD2-NE2 3.37Å; H368-H394 AromaticContact CG-NE2 3.78Å; H368-H395 AromaticContact CD2-CE1 3.6Å; H368-H395 AromaticContact CD2-NE2 3.93Å; H368-H395 AromaticContact NE2-CE1 3.08Å; H368-H395 PolarHBondContact NE2-CE1 3.11Å; H368-H395 AromaticContact NE2-NE2 3.41Å; H368-H395 PolarHBondContact NE2-NE2 3.38Å; H368-I398 HydrophobicContact CB-CD1 3.66Å; H368-I398 HydrophobicContact CB-CG1 4.07Å
369N97.3Very high93.3Very high21 Ų2129.3 Ų29.311%0.11219%0.185CC..Hα-helixtrans-56.2-35.4179.5-72.4-7.2000111.8E352 F354 F366 V371 H372 N373E352-N369 PolarHBondContact O-N 2.76Å; E352-N369 PolarHBondContact O-ND2 3.09Å; E352-N369 PolarHBondContact O-OD1 3.43Å; E352-N369 VanDerWaalsContact O-OD1 3.06Å; F354-N369 VanDerWaalsContact CE2-ND2 3.3Å; F354-N369 WeakPolarHBondContact CE2-ND2 3.44Å; F354-N369 VanDerWaalsContact CZ-ND2 3.33Å; F354-N369 WeakPolarHBondContact CZ-ND2 3.04Å; F366-N369 PolarHBondContact O-N 3.49Å; N369-V371 PolarHBondContact O-N 3.05Å; N369-H372 PolarHBondContact O-N 2.04Å; N369-N373 WeakPolarHBondContact O-CB 3.47Å; N369-N373 VanDerWaalsContact O-CG 3.22Å; N369-N373 PolarHBondContact O-N 3.41Å; N369-N373 PolarHBondContact O-ND2 2.86Å
370K96.9Very high93.6Very high16 Ų1626.9 Ų26.97%0.0715%0.154CC..Hα-helixtrans-59.7-43.2176.2-165.9175-152.6179.50113.2A316 P318 Y364 F366 M367 H368 N373 V374A316-K370 WeakPolarHBondContact O-CD 3.22Å; A316-K370 WeakPolarHBondContact O-CE 3.46Å; P318-K370 HydrophobicContact CB-CD 4.42Å; P318-K370 HydrophobicContact CG-CB 4.11Å; P318-K370 HydrophobicContact CG-CD 4.04Å; P318-K370 HydrophobicContact CG-CG 4.41Å; Y364-K370 WeakPolarHBondContact O-CA 3.25Å; F366-K370 PolarHBondContact O-N 3.2Å; M367-K370 WeakPolarHBondContact O-CB 3.22Å; M367-K370 PolarHBondContact O-N 2.95Å; H368-K370 PolarHBondContact O-N 2.65Å; H368-K370 VanDerWaalsContact O-N 3.14Å; K370-N373 PolarHBondContact O-N 2.85Å; K370-V374 HydrophobicContact CG-CG2 3.94Å; K370-V374 WeakPolarHBondContact O-CB 3.2Å; K370-V374 WeakPolarHBondContact O-CG2 3.46Å; K370-V374 PolarHBondContact O-N 2.93Å
371V97.2Very high93.7Very high0 Ų028.1 Ų28.10%016%0.164CC..Hα-helixtrans-68.6-40.1-179.3-178.30000111.1W244 W246 F317 P318 M367 H368 N369 V375 F379 H394W244-V371 HydrophobicContact CH2-CG1 4.45Å; W244-V371 HydrophobicContact CZ3-CG1 4.03Å; W246-V371 HydrophobicContact CD2-CG2 3.65Å; W246-V371 HydrophobicContact CE3-CG2 4.15Å; W246-V371 HydrophobicContact CG-CG2 3.95Å; W246-V371 HydrophobicContact CZ2-CG2 4.07Å; F317-V371 HydrophobicContact CD1-CG1 4.36Å; F317-V371 HydrophobicContact CD1-CG2 4.27Å; F317-V371 HydrophobicContact CE1-CG1 4.16Å; P318-V371 HydrophobicContact CG-CG2 3.98Å; M367-V371 PolarHBondContact O-N 3.04Å; H368-V371 PolarHBondContact O-N 2.87Å; N369-V371 PolarHBondContact O-N 3.05Å; V371-V375 PolarHBondContact O-N 3.3Å; V371-F379 HydrophobicContact CG1-CE1 4.2Å; V371-H394 WeakPolarHBondContact CB-CE1 3.15Å; V371-H394 WeakPolarHBondContact CG1-ND1 3.36Å
372H97.6Very high94Very high8 Ų824.8 Ų24.84%0.03715%0.153CC..Hα-helixtrans-57.1-51.8171.8-78.6-73.1000111.5H368 N369 S376 F379 H394 H395H368-H372 AromaticContact CD2-CD2 3.66Å; H368-H372 AromaticContact CD2-NE2 3.57Å; H368-H372 AromaticContact CE1-CD2 3.57Å; H368-H372 AromaticContact CE1-NE2 3.73Å; H368-H372 AromaticContact NE2-CD2 3.38Å; H368-H372 PolarHBondContact NE2-CD2 3.41Å; H368-H372 AromaticContact NE2-NE2 3.11Å; H368-H372 PolarHBondContact NE2-NE2 3.45Å; H368-H372 VanDerWaalsContact NE2-NE2 3.11Å; H368-H372 PolarHBondContact O-N 2.71Å; N369-H372 PolarHBondContact O-N 2.04Å; H372-S376 PolarHBondContact O-N 3.48Å; H372-F379 AromaticContact CE1-CE2 3.45Å; H372-F379 VanDerWaalsContact CE1-CE2 3.45Å; H372-F379 WeakPolarHBondContact CE1-CE2 3.39Å; H372-F379 AromaticContact CE1-CZ 3.51Å; H372-F379 AromaticContact ND1-CD1 3.95Å; H372-F379 AromaticContact ND1-CD2 3.91Å; H372-F379 AromaticContact ND1-CE1 3.7Å; H372-F379 AromaticContact ND1-CE2 3.6Å; H372-F379 AromaticContact ND1-CZ 3.51Å; H372-F379 PolarHBondContact ND1-O 3.31Å; H372-H394 AromaticContact CD2-CD2 3.91Å; H372-H394 AromaticContact CD2-NE2 3.73Å; H372-H394 AromaticContact NE2-CD2 3.38Å; H372-H394 PolarHBondContact NE2-CD2 3Å; H372-H394 AromaticContact NE2-NE2 3.64Å; H372-H395 AromaticContact CE1-NE2 3.89Å; H372-H395 AromaticContact NE2-NE2 3.4Å; H372-H395 PolarHBondContact NE2-NE2 3.06Å
373N95.9Very high94.4Very high50 Ų5022.8 Ų22.827%0.26714%0.139SC..Hα-helixtrans-70.5-35.8-176-68.3-23.6000113.6Y364 S365 N369 K370 S376Y364-N373 HydrophobicContact CD1-CB 4.4Å; Y364-N373 PolarHBondContact O-ND2 3.18Å; S365-N373 PolarHBondContact OG-ND2 2.82Å; S365-N373 VanDerWaalsContact OG-ND2 3.15Å; N369-N373 WeakPolarHBondContact O-CB 3.47Å; N369-N373 VanDerWaalsContact O-CG 3.22Å; N369-N373 PolarHBondContact O-N 3.41Å; N369-N373 PolarHBondContact O-ND2 2.86Å; K370-N373 PolarHBondContact O-N 2.85Å; N373-S376 PolarHBondContact O-N 3.18Å
374V94.3Very high94.7Very high0 Ų018.2 Ų18.20%011%0.111CC..Hα-helixtrans-66.3-40.1179.61660000111.2F312 E313 S314 F317 Y364 K370F312-V374 CarbonylContact C-O 2.96Å; F312-V374 VanDerWaalsContact CA-O 3.23Å; F312-V374 WeakPolarHBondContact CA-O 3.28Å; E313-V374 PolarHBondContact N-O 3.1Å; S314-V374 PolarHBondContact N-O 3.25Å; S314-V374 WeakPolarHBondContact O-CG1 3.35Å; F317-V374 HydrophobicContact CD2-CG1 4.47Å; F317-V374 HydrophobicContact CE1-CG1 4.12Å; F317-V374 HydrophobicContact CE2-CG1 4.02Å; F317-V374 HydrophobicContact CZ-CG1 3.83Å; Y364-V374 HydrophobicContact CG-CG2 4.36Å; K370-V374 HydrophobicContact CG-CG2 3.94Å; K370-V374 WeakPolarHBondContact O-CB 3.2Å; K370-V374 WeakPolarHBondContact O-CG2 3.46Å; K370-V374 PolarHBondContact O-N 2.93Å
375V95Very high95.3Very high0 Ų014.9 Ų14.90%010%0.098CC..Hα-helixtrans-78.2-38.3176172.10000111R310 Y311 F312 F317 V371 F379 L390R310-V375 HydrophobicContact CB-CG1 4.27Å; R310-V375 HydrophobicContact CG-CG1 4.04Å; Y311-V375 PolarHBondContact N-O 3.03Å; Y311-V375 VanDerWaalsContact N-O 3.11Å; F312-V375 HydrophobicContact CD1-CG1 4.46Å; F312-V375 HydrophobicContact CD1-CG2 4.38Å; F312-V375 HydrophobicContact CE1-CG1 4.14Å; F312-V375 HydrophobicContact CE1-CG2 4.25Å; F312-V375 PolarHBondContact N-O 3.15Å; F317-V375 HydrophobicContact CE1-CG2 4.46Å; F317-V375 HydrophobicContact CZ-CG2 4.47Å; V371-V375 PolarHBondContact O-N 3.3Å; V375-F379 HydrophobicContact CB-CD1 3.77Å; V375-F379 HydrophobicContact CB-CE1 4.48Å; V375-F379 HydrophobicContact CG1-CB 4.08Å; V375-F379 HydrophobicContact CG1-CD1 3.87Å; V375-F379 HydrophobicContact CG1-CG 4.37Å; V375-F379 HydrophobicContact CG2-CD1 4.22Å; V375-F379 HydrophobicContact CG2-CE1 4.49Å; V375-L390 HydrophobicContact CG1-CD1 3.8Å; V375-L390 HydrophobicContact CG2-CD1 4.42Å
376S94.7Very high95.5Very high18 Ų1813.1 Ų13.113%0.1269%0.086CC..  trans57.5-164177.4-169.60000113.3E313 H372 N373 F379E313-S376 VanDerWaalsContact CG-CB 3.42Å; H372-S376 PolarHBondContact O-N 3.48Å; N373-S376 PolarHBondContact O-N 3.18Å; S376-F379 PolarHBondContact O-N 2.9Å
377G94.7Very high95.6Very high9 Ų913 Ų139%0.0939%0.086CC..G310 helixtrans67.3-140.2-175.600000111.4T309 Y311 F379 C380T309-G377 VanDerWaalsContact OG1-CA 3.31Å; T309-G377 WeakPolarHBondContact OG1-CA 3.43Å; Y311-G377 VanDerWaalsContact CD2-CA 3.49Å; Y311-G377 VanDerWaalsContact CD2-N 3.34Å; Y311-G377 VanDerWaalsContact CE2-CA 3.48Å; G377-F379 PolarHBondContact O-N 3.07Å; G377-F379 VanDerWaalsContact O-N 3.13Å; G377-C380 PolarHBondContact O-N 3.45Å; G377-C380 PolarHBondContact O-SG 3.27Å
378T96.1Very high95.6Very high0 Ų013 Ų130%09%0.086CC..G310 helixtrans-57.1-32.7178.3-610000111.9E284 L308 T309 C380 T384 S385 N387E284-T378 HydrophobicContact CB-CG2 4.36Å; E284-T378 HydrophobicContact CG-CG2 3.74Å; E284-T378 WeakPolarHBondContact OE2-CA 3.45Å; E284-T378 WeakPolarHBondContact OE2-CB 3.47Å; E284-T378 WeakPolarHBondContact OE2-CG2 3.28Å; E284-T378 PolarHBondContact OE2-OG1 2.6Å; L308-T378 WeakPolarHBondContact CA-OG1 3.14Å; L308-T378 HydrophobicContact CD2-CG2 3.64Å; T309-T378 PolarHBondContact N-OG1 2.78Å; T309-T378 PolarHBondContact O-N 3.37Å; T309-T378 PolarHBondContact OG1-N 2.76Å; T309-T378 PolarHBondContact OG1-OG1 3.48Å; T378-C380 PolarHBondContact O-N 3.01Å; T378-T384 WeakPolarHBondContact CG2-O 3.31Å; T378-T384 CarbonylContact O-C 3.43Å; T378-T384 PolarHBondContact O-OG1 3.35Å; T378-T384 VanDerWaalsContact O-OG1 3.05Å; T378-S385 VanDerWaalsContact O-CA 3.3Å; T378-S385 WeakPolarHBondContact O-CA 3.28Å; T378-S385 PolarHBondContact O-N 3.21Å; T378-N387 HydrophobicContact CG2-CB 3.92Å
379F96.9Very high95.6Very high0 Ų013 Ų130%09%0.085CC..G310 helixtrans-78.6-11.8-175.7-170.6-114.1000114.6V371 H372 V375 S376 G377 C381 S385 D388 L390 F391 H394V371-F379 HydrophobicContact CG1-CE1 4.2Å; H372-F379 AromaticContact CE1-CE2 3.45Å; H372-F379 VanDerWaalsContact CE1-CE2 3.45Å; H372-F379 WeakPolarHBondContact CE1-CE2 3.39Å; H372-F379 AromaticContact CE1-CZ 3.51Å; H372-F379 AromaticContact ND1-CD1 3.95Å; H372-F379 AromaticContact ND1-CD2 3.91Å; H372-F379 AromaticContact ND1-CE1 3.7Å; H372-F379 AromaticContact ND1-CE2 3.6Å; H372-F379 AromaticContact ND1-CZ 3.51Å; H372-F379 PolarHBondContact ND1-O 3.31Å; V375-F379 HydrophobicContact CB-CD1 3.77Å; V375-F379 HydrophobicContact CB-CE1 4.48Å; V375-F379 HydrophobicContact CG1-CB 4.08Å; V375-F379 HydrophobicContact CG1-CD1 3.87Å; V375-F379 HydrophobicContact CG1-CG 4.37Å; V375-F379 HydrophobicContact CG2-CD1 4.22Å; V375-F379 HydrophobicContact CG2-CE1 4.49Å; S376-F379 PolarHBondContact O-N 2.9Å; G377-F379 PolarHBondContact O-N 3.07Å; G377-F379 VanDerWaalsContact O-N 3.13Å; F379-C381 VanDerWaalsContact C-N 3.26Å; F379-C381 PolarHBondContact O-N 3.18Å; F379-S385 WeakPolarHBondContact O-CB 3.3Å; F379-D388 HydrophobicContact CB-CB 3.99Å; F379-D388 HydrophobicContact CD2-CB 3.94Å; F379-D388 HydrophobicContact CG-CB 4.34Å; F379-L390 HydrophobicContact CD1-CB 4.49Å; F379-L390 HydrophobicContact CD1-CD1 4.38Å; F379-L390 HydrophobicContact CD2-CB 4Å; F379-L390 HydrophobicContact CE1-CB 4.35Å; F379-L390 HydrophobicContact CE2-CB 3.89Å; F379-L390 HydrophobicContact CG-CB 4.3Å; F379-L390 HydrophobicContact CG-CD1 4.45Å; F379-L390 HydrophobicContact CZ-CB 4.05Å; F379-F391 HydrophobicContact CE2-CB 4.03Å; F379-F391 HydrophobicContact CE2-CD2 4.42Å; F379-H394 HydrophobicContact CZ-CB 3.83Å; F379-H394 AromaticContact CZ-CD2 4Å; F379-H394 AromaticContact CZ-CG 3.89Å
380C93.8Very high95.6Very high33 Ų3312 Ų1222%0.2238%0.08CC..G310 helixtrans-65.7-31.8179.552.40000113.7G377 T378G377-C380 PolarHBondContact O-N 3.45Å; G377-C380 PolarHBondContact O-SG 3.27Å; T378-C380 PolarHBondContact O-N 3.01Å
381C91.5Very high95.7Very high55 Ų5511.2 Ų11.237%0.3728%0.077SC..  trans-117.4136.1-139.6-73.30000111.3F379 A383 T384 S385F379-C381 VanDerWaalsContact C-N 3.26Å; F379-C381 PolarHBondContact O-N 3.18Å; C381-A383 PolarHBondContact O-N 2.79Å; C381-T384 PolarHBondContact O-N 3.05Å; C381-S385 VanDerWaalsContact O-CB 3.23Å; C381-S385 WeakPolarHBondContact O-CB 3.46Å; C381-S385 PolarHBondContact O-N 2.93Å; C381-S385 PolarHBondContact O-OG 3.46Å
382A91.7Very high95.8Very high43 Ų4311.2 Ų11.236%0.3558%0.077SC..THydrogen-bonded Turntrans-56.6-28.3-175.800000113H181H181-A382 PolarHBondContact CE1-O 3.46Å; H181-A382 PolarHBondContact ND1-O 3.33Å
383A89.8Confident95.8Very high9 Ų910.9 Ų10.97%0.0748%0.075CC..THydrogen-bonded Turntrans-77.6-26.9178.500000114.4C381C381-A383 PolarHBondContact O-N 2.79Å
384T95Very high96Very high5 Ų58.5 Ų8.53%0.0316%0.062CC..THydrogen-bonded Turntrans-131.7-15.4-162.253.80000114.3E284 T378 C381 P386 N387E284-T384 HydrophobicContact CG-CG2 3.79Å; T378-T384 WeakPolarHBondContact CG2-O 3.31Å; T378-T384 CarbonylContact O-C 3.43Å; T378-T384 PolarHBondContact O-OG1 3.35Å; T378-T384 VanDerWaalsContact O-OG1 3.05Å; C381-T384 PolarHBondContact O-N 3.05Å; T384-P386 VanDerWaalsContact C-N 3.33Å; T384-N387 WeakPolarHBondContact CA-ND2 3.44Å; T384-N387 VanDerWaalsContact O-CB 3.26Å; T384-N387 WeakPolarHBondContact O-CB 3.04Å; T384-N387 PolarHBondContact O-N 3.18Å; T384-N387 PolarHBondContact O-ND2 2.95Å
385S97.8Very high96.2Very high2 Ų28.6 Ų8.61%0.0146%0.063CC..G310 helixtrans-55.9-33.2-174.3610000115.6T378 F379 C381 N387 D388T378-S385 VanDerWaalsContact O-CA 3.3Å; T378-S385 WeakPolarHBondContact O-CA 3.28Å; T378-S385 PolarHBondContact O-N 3.21Å; F379-S385 WeakPolarHBondContact O-CB 3.3Å; C381-S385 VanDerWaalsContact O-CB 3.23Å; C381-S385 WeakPolarHBondContact O-CB 3.46Å; C381-S385 PolarHBondContact O-N 2.93Å; C381-S385 PolarHBondContact O-OG 3.46Å; S385-N387 PolarHBondContact O-N 3.06Å; S385-D388 PolarHBondContact O-N 3.11Å; S385-D388 VanDerWaalsContact O-N 3.11Å
386P98Very high96.4Very high1 Ų18.6 Ų8.61%0.0066%0.063CC..G310 helixtrans-67.9-15.1175.9-16.529.9000114.4Q174 H181 Y218 W222 T384 D388 F391Q174-P386 PolarHBondContact NE2-O 3.47Å; H181-P386 HydrophobicContact CB-CG 3.57Å; H181-P386 WeakPolarHBondContact ND1-CG 3.16Å; Y218-P386 WeakPolarHBondContact OH-CB 3.32Å; W222-P386 HydrophobicContact CH2-CB 4.16Å; W222-P386 WeakPolarHBondContact CH2-O 3.32Å; W222-P386 HydrophobicContact CZ3-CB 4.13Å; T384-P386 VanDerWaalsContact C-N 3.33Å; P386-D388 PolarHBondContact O-N 3.1Å; P386-F391 HydrophobicContact CB-CD2 4.13Å; P386-F391 HydrophobicContact CB-CE2 4.27Å; P386-F391 HydrophobicContact CB-CG 4.26Å; P386-F391 HydrophobicContact CG-CD2 3.99Å; P386-F391 HydrophobicContact CG-CE2 3.73Å; P386-F391 HydrophobicContact CG-CZ 4.14Å
387N98Very high96.6Very high0 Ų07.8 Ų7.80%06%0.057CC..G310 helixtrans-66.7-25.9172.7-64.4-74.9000112S178 E284 Y285 L308 T378 T384 S385S178-N387 WeakPolarHBondContact CB-OD1 3.1Å; S178-N387 VanDerWaalsContact OG-CG 3.24Å; S178-N387 PolarHBondContact OG-OD1 2.91Å; E284-N387 HydrophobicContact CG-CB 4.48Å; Y285-N387 WeakPolarHBondContact CB-OD1 3.23Å; Y285-N387 WeakPolarHBondContact CD2-OD1 3.25Å; Y285-N387 PolarHBondContact N-OD1 3.24Å; Y285-N387 PolarHBondContact O-ND2 3.35Å; L308-N387 WeakPolarHBondContact CD1-O 3.47Å; L308-N387 HydrophobicContact CD2-CB 3.63Å; L308-N387 WeakPolarHBondContact CD2-O 3.35Å; T378-N387 HydrophobicContact CG2-CB 3.92Å; T384-N387 WeakPolarHBondContact CA-ND2 3.44Å; T384-N387 VanDerWaalsContact O-CB 3.26Å; T384-N387 WeakPolarHBondContact O-CB 3.04Å; T384-N387 PolarHBondContact O-N 3.18Å; T384-N387 PolarHBondContact O-ND2 2.95Å; S385-N387 PolarHBondContact O-N 3.06Å
388D97.8Very high96.8Very high0 Ų07.5 Ų7.50%05%0.054CC..SBendtrans-86.5123.8176.8-168.2-42.9000110.7R310 F379 S385 P386 L390 F391R310-D388 IonicContact CZ-OD1 2.8Å; R310-D388 IonicContact CZ-OD2 2.88Å; R310-D388 IonicContact NE-OD1 3.76Å; R310-D388 IonicContact NE-OD2 3.9Å; R310-D388 PolarHBondContact NE-OD2 3.29Å; R310-D388 IonicContact NH2-OD1 3.72Å; R310-D388 PolarHBondContact NH2-OD1 3.2Å; R310-D388 IonicContact NH2-OD2 3.52Å; R310-D388 PolarHBondContact NH2-OD2 3.45Å; F379-D388 HydrophobicContact CB-CB 3.99Å; F379-D388 HydrophobicContact CD2-CB 3.94Å; F379-D388 HydrophobicContact CG-CB 4.34Å; S385-D388 PolarHBondContact O-N 3.11Å; S385-D388 VanDerWaalsContact O-N 3.11Å; P386-D388 PolarHBondContact O-N 3.1Å; D388-L390 PolarHBondContact O-N 3.17Å; D388-L390 VanDerWaalsContact OD1-CB 3.32Å; D388-L390 WeakPolarHBondContact OD1-CB 3.3Å; D388-L390 WeakPolarHBondContact OD1-CG 3.26Å; D388-L390 PolarHBondContact OD1-N 2.68Å; D388-F391 WeakPolarHBondContact O-CB 3.49Å; D388-F391 PolarHBondContact O-N 2.83Å
389P97.6Very high96.9Very high2 Ų27.9 Ų7.91%0.0136%0.056CC..THydrogen-bonded Turntrans-54.1-19.2176.2-27.834.6000115.9V139 L260 F279 W282 F391 L392V139-P389 HydrophobicContact CG1-CB 4.08Å; V139-P389 HydrophobicContact CG1-CG 4.21Å; L260-P389 HydrophobicContact CD2-CB 3.91Å; F279-P389 HydrophobicContact CD1-CB 4.49Å; F279-P389 HydrophobicContact CD1-CG 3.43Å; F279-P389 VanDerWaalsContact CD1-CG 3.43Å; F279-P389 HydrophobicContact CD2-CG 4.36Å; F279-P389 HydrophobicContact CE1-CB 4.16Å; F279-P389 HydrophobicContact CE1-CG 3.46Å; F279-P389 VanDerWaalsContact CE1-CG 3.46Å; F279-P389 HydrophobicContact CE2-CG 4.38Å; F279-P389 HydrophobicContact CG-CG 3.91Å; F279-P389 HydrophobicContact CZ-CB 4.21Å; F279-P389 HydrophobicContact CZ-CG 3.96Å; W282-P389 HydrophobicContact CE3-CG 4.33Å; W282-P389 HydrophobicContact CZ3-CG 4.03Å; P389-F391 PolarHBondContact O-N 2.77Å; P389-L392 WeakPolarHBondContact O-CB 3.1Å; P389-L392 PolarHBondContact O-N 2.92Å
390L98Very high97Very high0 Ų07.9 Ų7.90%06%0.056CC..Hα-helixtrans-56.8-31.2171.1-73.4171.2000112.3W244 V254 L260 V375 F379 D388 L392 V393 H394W244-L390 HydrophobicContact CE3-CD2 4.38Å; W244-L390 HydrophobicContact CZ3-CD2 4.18Å; V254-L390 HydrophobicContact CG2-CD2 3.47Å; V254-L390 VanDerWaalsContact CG2-CD2 3.47Å; L260-L390 HydrophobicContact CB-CD2 4.24Å; L260-L390 HydrophobicContact CD1-CD2 3.71Å; L260-L390 HydrophobicContact CD1-CG 4.4Å; V375-L390 HydrophobicContact CG1-CD1 3.8Å; V375-L390 HydrophobicContact CG2-CD1 4.42Å; F379-L390 HydrophobicContact CD1-CB 4.49Å; F379-L390 HydrophobicContact CD1-CD1 4.38Å; F379-L390 HydrophobicContact CD2-CB 4Å; F379-L390 HydrophobicContact CE1-CB 4.35Å; F379-L390 HydrophobicContact CE2-CB 3.89Å; F379-L390 HydrophobicContact CG-CB 4.3Å; F379-L390 HydrophobicContact CG-CD1 4.45Å; F379-L390 HydrophobicContact CZ-CB 4.05Å; D388-L390 PolarHBondContact O-N 3.17Å; D388-L390 VanDerWaalsContact OD1-CB 3.32Å; D388-L390 WeakPolarHBondContact OD1-CB 3.3Å; D388-L390 WeakPolarHBondContact OD1-CG 3.26Å; D388-L390 PolarHBondContact OD1-N 2.68Å; L390-L392 PolarHBondContact O-N 3.46Å; L390-V393 VanDerWaalsContact O-CG2 3.32Å; L390-V393 WeakPolarHBondContact O-CG2 3.47Å; L390-V393 PolarHBondContact O-N 2.82Å; L390-H394 WeakPolarHBondContact O-CB 3.26Å; L390-H394 PolarHBondContact O-N 3.29Å
391F98.7Very high97.2Very high0 Ų06.3 Ų6.30%05%0.045CC..Hα-helixtrans-53.1-44.4177.6-167.5-77.3000111.9H181 H215 Y218 M219 W222 F379 P386 D388 P389 V393 H394 H395H181-F391 AromaticContact CD2-CZ 3.82Å; H181-F391 AromaticContact NE2-CE2 3.9Å; H181-F391 AromaticContact NE2-CZ 3.85Å; H215-F391 AromaticContact CD2-CZ 3.82Å; Y218-F391 AromaticContact CD1-CE1 3.84Å; Y218-F391 HydrophobicContact CD1-CE1 3.84Å; Y218-F391 HydrophobicContact CD1-CZ 4.35Å; Y218-F391 HydrophobicContact CE1-CD1 4.21Å; Y218-F391 AromaticContact CE1-CE1 3.42Å; Y218-F391 HydrophobicContact CE1-CE1 3.42Å; Y218-F391 VanDerWaalsContact CE1-CE1 3.42Å; Y218-F391 AromaticContact CE1-CZ 3.92Å; Y218-F391 HydrophobicContact CE1-CZ 3.92Å; M219-F391 HydrophobicContact SD-CD1 4.26Å; M219-F391 HydrophobicContact SD-CE1 4.06Å; W222-F391 HydrophobicContact CZ3-CD1 4.05Å; W222-F391 HydrophobicContact CZ3-CE1 4.46Å; F379-F391 HydrophobicContact CE2-CB 4.03Å; F379-F391 HydrophobicContact CE2-CD2 4.42Å; P386-F391 HydrophobicContact CB-CD2 4.13Å; P386-F391 HydrophobicContact CB-CE2 4.27Å; P386-F391 HydrophobicContact CB-CG 4.26Å; P386-F391 HydrophobicContact CG-CD2 3.99Å; P386-F391 HydrophobicContact CG-CE2 3.73Å; P386-F391 HydrophobicContact CG-CZ 4.14Å; D388-F391 WeakPolarHBondContact O-CB 3.49Å; D388-F391 PolarHBondContact O-N 2.83Å; P389-F391 PolarHBondContact O-N 2.77Å; F391-V393 PolarHBondContact O-N 2.97Å; F391-H394 PolarHBondContact O-N 3.32Å; F391-H395 HydrophobicContact CD1-CB 4.43Å; F391-H395 AromaticContact CD1-CD2 3.52Å; F391-H395 AromaticContact CD2-CD2 3.62Å; F391-H395 AromaticContact CD2-NE2 3.69Å; F391-H395 HydrophobicContact CE1-CB 4.13Å; F391-H395 AromaticContact CE1-CD2 3.25Å; F391-H395 WeakPolarHBondContact CE1-CD2 3.03Å; F391-H395 AromaticContact CE1-CG 3.64Å; F391-H395 AromaticContact CE1-NE2 3.76Å; F391-H395 AromaticContact CE2-CD2 3.42Å; F391-H395 VanDerWaalsContact CE2-CD2 3.42Å; F391-H395 WeakPolarHBondContact CE2-CD2 3.05Å; F391-H395 AromaticContact CE2-NE2 3.14Å; F391-H395 WeakPolarHBondContact CE2-NE2 3.32Å; F391-H395 AromaticContact CG-CD2 3.69Å; F391-H395 AromaticContact CZ-CD2 3.23Å; F391-H395 WeakPolarHBondContact CZ-CD2 3.33Å; F391-H395 AromaticContact CZ-CE1 3.74Å; F391-H395 AromaticContact CZ-CG 3.82Å; F391-H395 AromaticContact CZ-NE2 3.18Å; F391-H395 WeakPolarHBondContact CZ-NE2 3.12Å; F391-H395 PolarHBondContact O-N 3.42Å
392L98.7Very high97.5Very high1 Ų13.7 Ų3.71%0.0053%0.027CC..Hα-helixtrans-57.1-51-178.5-63.3175.4000111.3F135 V139 M219 W222 L226 I241 P389 L390 T396F135-L392 HydrophobicContact CZ-CD1 4.47Å; V139-L392 HydrophobicContact CG1-CD1 4.13Å; V139-L392 HydrophobicContact CG2-CD1 3.83Å; M219-L392 HydrophobicContact CE-CB 4.46Å; M219-L392 HydrophobicContact CE-CD2 4.04Å; M219-L392 WeakPolarHBondContact CE-O 3.39Å; W222-L392 HydrophobicContact CD2-CD2 3.5Å; W222-L392 VanDerWaalsContact CD2-CD2 3.5Å; W222-L392 HydrophobicContact CE3-CD2 3.63Å; W222-L392 HydrophobicContact CG-CD2 4.06Å; W222-L392 HydrophobicContact CH2-CD2 4.03Å; W222-L392 HydrophobicContact CZ2-CD2 3.92Å; W222-L392 HydrophobicContact CZ3-CD2 3.88Å; L226-L392 HydrophobicContact CD1-CD1 4.14Å; L226-L392 HydrophobicContact CD1-CD2 4.32Å; I241-L392 HydrophobicContact CD1-CD2 4.11Å; I241-L392 HydrophobicContact CG2-CB 3.85Å; I241-L392 WeakPolarHBondContact CG2-O 3.05Å; P389-L392 WeakPolarHBondContact O-CB 3.1Å; P389-L392 PolarHBondContact O-N 2.92Å; L390-L392 PolarHBondContact O-N 3.46Å; L392-T396 WeakPolarHBondContact O-CB 3.33Å; L392-T396 PolarHBondContact O-N 3.33Å; L392-T396 PolarHBondContact O-OG1 2.67Å
393V98.7Very high97.9Very high0 Ų01.6 Ų1.60%01%0.01CC..Hα-helixtrans-79.5-27-176.3-58.50000112.6I124 F135 P242 W244 L260 L390 F391 Q397I124-V393 HydrophobicContact CD1-CG1 3.73Å; F135-V393 HydrophobicContact CZ-CG1 4.33Å; P242-V393 HydrophobicContact CG-CG1 4.22Å; P242-V393 WeakPolarHBondContact O-CA 3.28Å; W244-V393 HydrophobicContact CB-CB 3.76Å; W244-V393 HydrophobicContact CB-CG2 3.63Å; W244-V393 HydrophobicContact CE3-CG2 4.26Å; W244-V393 HydrophobicContact CG-CG2 4.49Å; W244-V393 PolarHBondContact N-O 2.99Å; L260-V393 HydrophobicContact CD1-CB 4.5Å; L260-V393 HydrophobicContact CD1-CG1 4.07Å; L260-V393 HydrophobicContact CD1-CG2 3.55Å; L390-V393 VanDerWaalsContact O-CG2 3.32Å; L390-V393 WeakPolarHBondContact O-CG2 3.47Å; L390-V393 PolarHBondContact O-N 2.82Å; F391-V393 PolarHBondContact O-N 2.97Å; V393-Q397 PolarHBondContact O-N 3.1Å
394H98.7Very high98.3Very high0 Ų01.2 Ų1.20%01%0.007CC..Hα-helixtrans-70.5-56.2176.9178.761000111.6W246 H368 V371 H372 F379 L390 F391 T396 Q397 I398W246-H394 AromaticContact CD1-ND1 3.78Å; W246-H394 AromaticContact NE1-CE1 3.61Å; W246-H394 AromaticContact NE1-ND1 3.24Å; W246-H394 PolarHBondContact NE1-ND1 3.47Å; H368-H394 AromaticContact CD2-CD2 3.82Å; H368-H394 AromaticContact CD2-NE2 3.16Å; H368-H394 PolarHBondContact CD2-NE2 3.37Å; H368-H394 AromaticContact CG-NE2 3.78Å; V371-H394 WeakPolarHBondContact CB-CE1 3.15Å; V371-H394 WeakPolarHBondContact CG1-ND1 3.36Å; H372-H394 AromaticContact CD2-CD2 3.91Å; H372-H394 AromaticContact CD2-NE2 3.73Å; H372-H394 AromaticContact NE2-CD2 3.38Å; H372-H394 PolarHBondContact NE2-CD2 3Å; H372-H394 AromaticContact NE2-NE2 3.64Å; F379-H394 HydrophobicContact CZ-CB 3.83Å; F379-H394 AromaticContact CZ-CD2 4Å; F379-H394 AromaticContact CZ-CG 3.89Å; L390-H394 WeakPolarHBondContact O-CB 3.26Å; L390-H394 PolarHBondContact O-N 3.29Å; F391-H394 PolarHBondContact O-N 3.32Å; H394-T396 PolarHBondContact O-N 3.35Å; H394-Q397 WeakPolarHBondContact O-CA 3.49Å; H394-Q397 VanDerWaalsContact O-CB 3.32Å; H394-Q397 WeakPolarHBondContact O-CB 3.48Å; H394-Q397 PolarHBondContact O-N 2.77Å; H394-I398 PolarHBondContact O-N 3.02Å
395H98.9Very high98.4Very high3 Ų31 Ų11%0.0141%0.005CC..Hα-helixtrans-67.5-25.5-179.3-80.6-90.5000112.6H215 M219 H368 H372 F391 Q397 I398 D399H215-H395 AromaticContact CD2-CE1 3.29Å; H215-H395 PolarHBondContact CD2-CE1 3.34Å; H215-H395 AromaticContact CD2-ND1 3.31Å; H215-H395 PolarHBondContact CD2-ND1 3.14Å; H215-H395 VanDerWaalsContact CD2-ND1 3.31Å; H215-H395 AromaticContact CG-CE1 3.89Å; H215-H395 AromaticContact CG-ND1 3.67Å; H215-H395 AromaticContact NE2-CE1 3.6Å; M219-H395 HydrophobicContact CG-CB 3.95Å; M219-H395 HydrophobicContact SD-CB 3.85Å; H368-H395 AromaticContact CD2-CE1 3.6Å; H368-H395 AromaticContact CD2-NE2 3.93Å; H368-H395 AromaticContact NE2-CE1 3.08Å; H368-H395 PolarHBondContact NE2-CE1 3.11Å; H368-H395 AromaticContact NE2-NE2 3.41Å; H368-H395 PolarHBondContact NE2-NE2 3.38Å; H372-H395 AromaticContact CE1-NE2 3.89Å; H372-H395 AromaticContact NE2-NE2 3.4Å; H372-H395 PolarHBondContact NE2-NE2 3.06Å; F391-H395 HydrophobicContact CD1-CB 4.43Å; F391-H395 AromaticContact CD1-CD2 3.52Å; F391-H395 AromaticContact CD2-CD2 3.62Å; F391-H395 AromaticContact CD2-NE2 3.69Å; F391-H395 HydrophobicContact CE1-CB 4.13Å; F391-H395 AromaticContact CE1-CD2 3.25Å; F391-H395 WeakPolarHBondContact CE1-CD2 3.03Å; F391-H395 AromaticContact CE1-CG 3.64Å; F391-H395 AromaticContact CE1-NE2 3.76Å; F391-H395 AromaticContact CE2-CD2 3.42Å; F391-H395 VanDerWaalsContact CE2-CD2 3.42Å; F391-H395 WeakPolarHBondContact CE2-CD2 3.05Å; F391-H395 AromaticContact CE2-NE2 3.14Å; F391-H395 WeakPolarHBondContact CE2-NE2 3.32Å; F391-H395 AromaticContact CG-CD2 3.69Å; F391-H395 AromaticContact CZ-CD2 3.23Å; F391-H395 WeakPolarHBondContact CZ-CD2 3.33Å; F391-H395 AromaticContact CZ-CE1 3.74Å; F391-H395 AromaticContact CZ-CG 3.82Å; F391-H395 AromaticContact CZ-NE2 3.18Å; F391-H395 WeakPolarHBondContact CZ-NE2 3.12Å; F391-H395 PolarHBondContact O-N 3.42Å; H395-Q397 VanDerWaalsContact C-N 3.31Å; H395-Q397 PolarHBondContact O-N 3.3Å; H395-I398 PolarHBondContact O-N 2.87Å; H395-D399 WeakPolarHBondContact O-CB 3.34Å; H395-D399 PolarHBondContact O-N 2.7Å
396T98.8Very high98.4Very high0 Ų01.8 Ų1.80%01%0.009CC..Hα-helixtrans-67-33.3170.9-54.90000112.3R121 I241 L392 H394 R400 Y454R121-T396 HydrophobicContact CB-CG2 4.49Å; R121-T396 HydrophobicContact CG-CG2 4.47Å; I241-T396 VanDerWaalsContact CG2-OG1 3.28Å; I241-T396 WeakPolarHBondContact CG2-OG1 3.44Å; I241-T396 WeakPolarHBondContact O-CG2 3.47Å; L392-T396 WeakPolarHBondContact O-CB 3.33Å; L392-T396 PolarHBondContact O-N 3.33Å; L392-T396 PolarHBondContact O-OG1 2.67Å; H394-T396 PolarHBondContact O-N 3.35Å; T396-R400 WeakPolarHBondContact O-CB 3.15Å; T396-R400 PolarHBondContact O-N 3.29Å; T396-R400 VanDerWaalsContact O-N 3.12Å; T396-Y454 HydrophobicContact CG2-CE1 3.97Å; T396-Y454 WeakPolarHBondContact O-CE1 3.37Å; T396-Y454 PolarHBondContact O-OH 3.04Å
397Q98.6Very high98.4Very high0 Ų04.2 Ų4.20%02%0.021CC..Hα-helixtrans-72-38.3171.5174.471.1-1.800111.8W244 D245 W246 V393 H394 H395 R400 I401 F459W244-Q397 WeakPolarHBondContact O-CB 3.17Å; W244-Q397 WeakPolarHBondContact O-CG 3.24Å; D245-Q397 PolarHBondContact OD1-NE2 3.12Å; W246-Q397 HydrophobicContact CZ2-CG 4.26Å; V393-Q397 PolarHBondContact O-N 3.1Å; H394-Q397 WeakPolarHBondContact O-CA 3.49Å; H394-Q397 VanDerWaalsContact O-CB 3.32Å; H394-Q397 WeakPolarHBondContact O-CB 3.48Å; H394-Q397 PolarHBondContact O-N 2.77Å; H395-Q397 VanDerWaalsContact C-N 3.31Å; H395-Q397 PolarHBondContact O-N 3.3Å; Q397-R400 VanDerWaalsContact O-CB 3.32Å; Q397-R400 WeakPolarHBondContact O-CB 3.27Å; Q397-R400 PolarHBondContact O-N 2.95Å; Q397-I401 WeakPolarHBondContact O-CG1 3.16Å; Q397-I401 PolarHBondContact O-N 2.86Å; Q397-I401 VanDerWaalsContact O-N 3.09Å; Q397-F459 VanDerWaalsContact NE2-CD1 3.29Å
398I98.8Very high98.4Very high4 Ų47.9 Ų7.92%0.0214%0.035CC..Hα-helixtrans-61.2-47.7173.9-61.8-51.2000110.9F211 L212 W246 L351 H368 H394 H395 R400 I401 F402F211-I398 HydrophobicContact CE1-CG2 4.18Å; F211-I398 HydrophobicContact CZ-CG2 4.26Å; L212-I398 HydrophobicContact CD2-CG2 3.83Å; W246-I398 HydrophobicContact CZ2-CD1 3.86Å; L351-I398 HydrophobicContact CD1-CD1 4.29Å; L351-I398 HydrophobicContact CD1-CG2 4.47Å; L351-I398 HydrophobicContact CD2-CG2 4.11Å; L351-I398 HydrophobicContact CG-CG2 4.13Å; H368-I398 HydrophobicContact CB-CD1 3.66Å; H368-I398 HydrophobicContact CB-CG1 4.07Å; H394-I398 PolarHBondContact O-N 3.02Å; H395-I398 PolarHBondContact O-N 2.87Å; I398-R400 PolarHBondContact O-N 3Å; I398-I401 PolarHBondContact O-N 3.06Å; I398-I401 VanDerWaalsContact O-N 3.14Å; I398-F402 PolarHBondContact O-N 2.95Å
399D98.9Very high98.3Very high7 Ų79.9 Ų9.94%0.0375%0.045CC..Hα-helixtrans-61.6-31.3176.6-175.745.8000112.5R121 R216 H395 F402 Q403 Y452 Y454R121-D399 IonicContact NH1-OD2 3.88Å; R121-D399 PolarHBondContact NH1-OD2 3.22Å; R216-D399 IonicContact CZ-OD1 3.29Å; R216-D399 IonicContact NE-OD1 3.45Å; R216-D399 PolarHBondContact NE-OD1 3.16Å; R216-D399 IonicContact NH2-OD1 3.54Å; R216-D399 PolarHBondContact NH2-OD1 3.11Å; H395-D399 WeakPolarHBondContact O-CB 3.34Å; H395-D399 PolarHBondContact O-N 2.7Å; D399-F402 PolarHBondContact O-N 3.33Å; D399-Q403 WeakPolarHBondContact O-CB 3.34Å; D399-Q403 PolarHBondContact O-N 3.13Å; D399-Y452 VanDerWaalsContact OD2-CE2 3.3Å; D399-Y452 WeakPolarHBondContact OD2-CE2 3.35Å; D399-Y452 VanDerWaalsContact OD2-CZ 3.31Å; D399-Y452 PolarHBondContact OD2-OH 2.8Å; D399-Y454 WeakPolarHBondContact CB-OH 3.47Å; D399-Y454 PolarHBondContact OD2-OH 3.12Å
400R98.6Very high98.3Very high0 Ų019.7 Ų19.70%08%0.082CC..Hα-helixtrans-66.2-43.4174.2-170.8175.4170.3-115.23.2112.4Y243 T396 Q397 I398 Q403 L404 Y454 N456 F457 N458 F459Y243-R400 PolarHBondContact OH-NH2 3Å; T396-R400 WeakPolarHBondContact O-CB 3.15Å; T396-R400 PolarHBondContact O-N 3.29Å; T396-R400 VanDerWaalsContact O-N 3.12Å; Q397-R400 VanDerWaalsContact O-CB 3.32Å; Q397-R400 WeakPolarHBondContact O-CB 3.27Å; Q397-R400 PolarHBondContact O-N 2.95Å; I398-R400 PolarHBondContact O-N 3Å; R400-Q403 PolarHBondContact O-N 2.83Å; R400-L404 PolarHBondContact O-N 3.32Å; R400-Y454 VanDerWaalsContact CA-CZ 3.48Å; R400-Y454 HydrophobicContact CB-CD1 3.85Å; R400-Y454 HydrophobicContact CB-CD2 4.25Å; R400-Y454 HydrophobicContact CB-CE1 3.49Å; R400-Y454 VanDerWaalsContact CB-CE1 3.49Å; R400-Y454 HydrophobicContact CB-CE2 3.96Å; R400-Y454 HydrophobicContact CB-CG 4.19Å; R400-Y454 HydrophobicContact CG-CD1 3.57Å; R400-Y454 HydrophobicContact CG-CD2 3.95Å; R400-Y454 HydrophobicContact CG-CE1 3.79Å; R400-Y454 HydrophobicContact CG-CE2 4.18Å; R400-Y454 HydrophobicContact CG-CG 3.63Å; R400-Y454 PolarHBondContact N-OH 3.31Å; R400-Y454 VanDerWaalsContact N-OH 3.13Å; R400-N456 VanDerWaalsContact CZ-O 3.26Å; R400-N456 PolarHBondContact NE-O 2.66Å; R400-N456 VanDerWaalsContact NH2-C 3.32Å; R400-N456 PolarHBondContact NH2-O 3.18Å; R400-N456 PolarHBondContact NH2-OD1 2.03Å; R400-F457 HydrophobicContact CG-CD1 4.05Å; R400-F457 HydrophobicContact CG-CE1 4.06Å; R400-F457 VanDerWaalsContact NH2-CA 3.33Å; R400-N458 VanDerWaalsContact CZ-O 3.31Å; R400-N458 PolarHBondContact NH1-O 3.28Å; R400-N458 PolarHBondContact NH2-O 3.03Å; R400-F459 HydrophobicContact CG-CE1 4.31Å; R400-F459 HydrophobicContact CG-CZ 3.96Å; R400-F459 VanDerWaalsContact NH1-CD1 3.26Å
401I98.6Very high98.2Very high0 Ų020.5 Ų20.50%09%0.088CC..Hα-helixtrans-65.3-43.5175.3-62.7166.7000109.6W246 L323 L327 F347 L351 M367 Q397 I398 Q403 L404 W405 F459W246-I401 HydrophobicContact CH2-CD1 4.18Å; W246-I401 HydrophobicContact CZ2-CD1 4.24Å; L323-I401 HydrophobicContact CD1-CD1 3.96Å; L323-I401 HydrophobicContact CD1-CG1 3.93Å; L323-I401 HydrophobicContact CD1-CG2 3.78Å; L327-I401 HydrophobicContact CD2-CG2 4.09Å; F347-I401 HydrophobicContact CZ-CG2 4.46Å; L351-I401 HydrophobicContact CD1-CB 4.07Å; L351-I401 HydrophobicContact CD1-CD1 4.1Å; L351-I401 HydrophobicContact CD1-CG2 3.75Å; L351-I401 HydrophobicContact CD2-CB 4.29Å; L351-I401 HydrophobicContact CD2-CG2 4.11Å; M367-I401 HydrophobicContact CE-CD1 3.87Å; Q397-I401 WeakPolarHBondContact O-CG1 3.16Å; Q397-I401 PolarHBondContact O-N 2.86Å; Q397-I401 VanDerWaalsContact O-N 3.09Å; I398-I401 PolarHBondContact O-N 3.06Å; I398-I401 VanDerWaalsContact O-N 3.14Å; I401-Q403 VanDerWaalsContact C-N 3.35Å; I401-Q403 PolarHBondContact O-N 2.94Å; I401-L404 PolarHBondContact O-N 2.72Å; I401-W405 PolarHBondContact O-N 3.36Å; I401-F459 HydrophobicContact CD1-CE1 4.34Å; I401-F459 HydrophobicContact CG1-CD1 4.29Å; I401-F459 HydrophobicContact CG1-CE1 3.46Å; I401-F459 VanDerWaalsContact CG1-CE1 3.46Å; I401-F459 HydrophobicContact CG1-CZ 3.94Å
402F98.7Very high98.2Very high0 Ų028 Ų280%012%0.116CC..Hα-helixtrans-59-44.5175.1177-148.7000112L212 F332 F347 L351 I398 D399 L404 W405 F406 F444L212-F402 HydrophobicContact CB-CD1 3.82Å; L212-F402 HydrophobicContact CB-CE1 3.9Å; L212-F402 HydrophobicContact CB-CG 4.27Å; L212-F402 HydrophobicContact CB-CZ 4.39Å; L212-F402 HydrophobicContact CD1-CB 4.48Å; L212-F402 HydrophobicContact CD1-CD1 4.43Å; L212-F402 HydrophobicContact CD1-CD2 3.95Å; L212-F402 HydrophobicContact CD1-CE2 4.3Å; L212-F402 HydrophobicContact CD1-CG 4.04Å; L212-F402 HydrophobicContact CD2-CB 4.26Å; L212-F402 HydrophobicContact CD2-CG 4.42Å; L212-F402 HydrophobicContact CG-CD1 4.48Å; L212-F402 HydrophobicContact CG-CG 4.47Å; F332-F402 HydrophobicContact CD2-CE2 4.49Å; F332-F402 HydrophobicContact CE2-CE2 4.03Å; F332-F402 HydrophobicContact CE2-CZ 4.35Å; F347-F402 HydrophobicContact CD1-CD2 4.49Å; F347-F402 HydrophobicContact CE1-CB 4.37Å; F347-F402 AromaticContact CE1-CD2 3.69Å; F347-F402 HydrophobicContact CE1-CD2 3.69Å; F347-F402 HydrophobicContact CE1-CG 4.41Å; F347-F402 HydrophobicContact CZ-CD2 4.5Å; L351-F402 HydrophobicContact CD2-CB 4.11Å; I398-F402 PolarHBondContact O-N 2.95Å; D399-F402 PolarHBondContact O-N 3.33Å; F402-L404 PolarHBondContact O-N 3.11Å; F402-W405 HydrophobicContact CD2-CE3 4.04Å; F402-W405 AromaticContact CE2-CE3 3.93Å; F402-W405 HydrophobicContact CE2-CE3 3.93Å; F402-W405 HydrophobicContact CE2-CZ3 4.11Å; F402-W405 WeakPolarHBondContact O-CB 3.3Å; F402-W405 PolarHBondContact O-N 2.68Å; F402-F406 HydrophobicContact CE2-CD2 4.05Å; F402-F406 HydrophobicContact CZ-CD2 4.17Å; F402-F406 WeakPolarHBondContact O-CB 3.25Å; F402-F406 PolarHBondContact O-N 2.79Å; F402-F444 HydrophobicContact CE2-CD2 4.38Å; F402-F444 HydrophobicContact CE2-CE2 4.05Å; F402-F444 AromaticContact CZ-CD2 3.76Å; F402-F444 HydrophobicContact CZ-CD2 3.76Å; F402-F444 AromaticContact CZ-CE2 3.89Å; F402-F444 HydrophobicContact CZ-CE2 3.89Å
403Q98.6Very high98.1Very high0 Ų031.8 Ų31.80%014%0.141CC..Hα-helixtrans-63.6-39.8176.8175.459.715.600112.5D399 R400 I401 W405 F406 M407 N446 T447 Y454 F457D399-Q403 WeakPolarHBondContact O-CB 3.34Å; D399-Q403 PolarHBondContact O-N 3.13Å; R400-Q403 PolarHBondContact O-N 2.83Å; I401-Q403 VanDerWaalsContact C-N 3.35Å; I401-Q403 PolarHBondContact O-N 2.94Å; Q403-W405 VanDerWaalsContact C-N 3.35Å; Q403-F406 PolarHBondContact O-N 3.27Å; Q403-M407 HydrophobicContact CG-CG 4.45Å; Q403-M407 HydrophobicContact CG-SD 4.05Å; Q403-M407 VanDerWaalsContact NE2-CG 3.27Å; Q403-M407 PolarHBondContact NE2-SD 2.91Å; Q403-M407 WeakPolarHBondContact O-CB 3.38Å; Q403-M407 VanDerWaalsContact O-CG 3.25Å; Q403-M407 WeakPolarHBondContact O-CG 3.31Å; Q403-M407 PolarHBondContact O-N 2.92Å; Q403-N446 VanDerWaalsContact NE2-CG 3.34Å; Q403-N446 PolarHBondContact NE2-OD1 2.03Å; Q403-T447 HydrophobicContact CB-CG2 4.08Å; Q403-T447 VanDerWaalsContact CD-OG1 3.31Å; Q403-T447 HydrophobicContact CG-CG2 4.02Å; Q403-Y454 HydrophobicContact CB-CE2 4.22Å; Q403-Y454 HydrophobicContact CG-CD2 4.46Å; Q403-F457 HydrophobicContact CB-CE1 4.12Å; Q403-F457 HydrophobicContact CB-CZ 4.37Å; Q403-F457 HydrophobicContact CG-CE1 3.86Å; Q403-F457 HydrophobicContact CG-CZ 3.61Å
404L98.2Very high97.9Very high0 Ų035.5 Ų35.50%016%0.163CC..Hα-helixtrans-60.7-46174.7179.460.7000111.4L327 R400 I401 F402 M407 Y408 F457 F459 F464 Y469 L470L327-L404 HydrophobicContact CD1-CD2 3.72Å; L327-L404 HydrophobicContact CD2-CD2 4.28Å; L327-L404 HydrophobicContact CD2-CG 4.38Å; R400-L404 PolarHBondContact O-N 3.32Å; I401-L404 PolarHBondContact O-N 2.72Å; F402-L404 PolarHBondContact O-N 3.11Å; L404-M407 PolarHBondContact O-N 3.08Å; L404-Y408 PolarHBondContact O-N 3.43Å; L404-Y408 VanDerWaalsContact O-N 3.17Å; L404-F457 HydrophobicContact CB-CD1 3.81Å; L404-F457 HydrophobicContact CB-CE1 4.26Å; L404-F457 HydrophobicContact CB-CG 4.45Å; L404-F457 HydrophobicContact CD1-CB 3.97Å; L404-F457 HydrophobicContact CD1-CD1 4.28Å; L404-F457 HydrophobicContact CD1-CG 4.08Å; L404-F457 HydrophobicContact CD2-CB 4.49Å; L404-F459 HydrophobicContact CD2-CD2 4.35Å; L404-F459 HydrophobicContact CD2-CE2 3.63Å; L404-F459 HydrophobicContact CD2-CZ 4.38Å; L404-F464 HydrophobicContact CD2-CE1 3.72Å; L404-F464 HydrophobicContact CD2-CZ 3.85Å; L404-Y469 HydrophobicContact CD1-CD1 3.82Å; L404-Y469 HydrophobicContact CD1-CE1 4.39Å; L404-Y469 HydrophobicContact CD2-CD1 3.91Å; L404-Y469 HydrophobicContact CD2-CE1 4.39Å; L404-Y469 HydrophobicContact CD2-CG 4.46Å; L404-Y469 HydrophobicContact CG-CD1 3.8Å; L404-Y469 HydrophobicContact CG-CE1 4.05Å; L404-L470 HydrophobicContact CD1-CD1 4.15Å; L404-L470 HydrophobicContact CD1-CD2 3.91Å; L404-L470 HydrophobicContact CD1-CG 3.79Å
405W97.9Very high97.8Very high1 Ų138.3 Ų38.30%0.00418%0.178CC..Hα-helixtrans-59.7-45.3175.6176.690.8000111.8L327 K329 F332 F347 I401 F402 Q403 M407 Y408 N409 P411 F444L327-W405 HydrophobicContact CD2-CB 4.01Å; K329-W405 PolarHBondContact O-NE1 2.9Å; F332-W405 HydrophobicContact CB-CH2 3.68Å; F332-W405 HydrophobicContact CB-CZ2 4.19Å; F332-W405 HydrophobicContact CB-CZ3 4.43Å; F332-W405 HydrophobicContact CD2-CH2 4.02Å; F332-W405 AromaticContact CD2-CZ3 3.99Å; F332-W405 HydrophobicContact CD2-CZ3 3.99Å; F332-W405 HydrophobicContact CG-CH2 4.28Å; F347-W405 HydrophobicContact CB-CD2 4.41Å; F347-W405 HydrophobicContact CB-CZ2 4.16Å; F347-W405 AromaticContact CD1-CD2 3.68Å; F347-W405 HydrophobicContact CD1-CD2 3.68Å; F347-W405 AromaticContact CD1-CE2 3.95Å; F347-W405 HydrophobicContact CD1-CE3 4.02Å; F347-W405 AromaticContact CD1-CG 3.9Å; F347-W405 HydrophobicContact CD1-CG 3.9Å; F347-W405 HydrophobicContact CD2-CB 4.17Å; F347-W405 AromaticContact CD2-CD1 3.09Å; F347-W405 HydrophobicContact CD2-CD2 4.04Å; F347-W405 AromaticContact CD2-CG 3.52Å; F347-W405 HydrophobicContact CD2-CG 3.52Å; F347-W405 AromaticContact CD2-NE1 3.39Å; F347-W405 HydrophobicContact CE1-CB 3.94Å; F347-W405 AromaticContact CE1-CD2 3.86Å; F347-W405 HydrophobicContact CE1-CD2 3.86Å; F347-W405 HydrophobicContact CE1-CE3 4.11Å; F347-W405 AromaticContact CE1-CG 3.77Å; F347-W405 HydrophobicContact CE1-CG 3.77Å; F347-W405 HydrophobicContact CE2-CB 3.49Å; F347-W405 VanDerWaalsContact CE2-CB 3.49Å; F347-W405 AromaticContact CE2-CD1 3.29Å; F347-W405 HydrophobicContact CE2-CD2 4.19Å; F347-W405 AromaticContact CE2-CG 3.36Å; F347-W405 HydrophobicContact CE2-CG 3.36Å; F347-W405 AromaticContact CG-CD1 3.56Å; F347-W405 AromaticContact CG-CD2 3.76Å; F347-W405 HydrophobicContact CG-CD2 3.76Å; F347-W405 AromaticContact CG-CE2 3.64Å; F347-W405 AromaticContact CG-CG 3.76Å; F347-W405 HydrophobicContact CG-CG 3.76Å; F347-W405 HydrophobicContact CG-CZ2 4.38Å; F347-W405 AromaticContact CG-NE1 3.41Å; F347-W405 HydrophobicContact CZ-CB 3.33Å; F347-W405 AromaticContact CZ-CD1 3.92Å; F347-W405 HydrophobicContact CZ-CD2 4.1Å; F347-W405 AromaticContact CZ-CG 3.48Å; F347-W405 HydrophobicContact CZ-CG 3.48Å; F347-W405 VanDerWaalsContact CZ-CG 3.48Å; I401-W405 PolarHBondContact O-N 3.36Å; F402-W405 HydrophobicContact CD2-CE3 4.04Å; F402-W405 AromaticContact CE2-CE3 3.93Å; F402-W405 HydrophobicContact CE2-CE3 3.93Å; F402-W405 HydrophobicContact CE2-CZ3 4.11Å; F402-W405 WeakPolarHBondContact O-CB 3.3Å; F402-W405 PolarHBondContact O-N 2.68Å; Q403-W405 VanDerWaalsContact C-N 3.35Å; W405-M407 VanDerWaalsContact C-N 3.35Å; W405-M407 PolarHBondContact O-N 3.46Å; W405-Y408 PolarHBondContact O-N 2.98Å; W405-N409 VanDerWaalsContact CE2-ND2 3.28Å; W405-N409 HydrophobicContact CH2-CB 4.42Å; W405-N409 HydrophobicContact CZ2-CB 4.07Å; W405-N409 PolarHBondContact NE1-ND2 2.78Å; W405-N409 PolarHBondContact O-N 2.79Å; W405-N409 PolarHBondContact O-ND2 2.96Å; W405-P411 HydrophobicContact CH2-CB 4.08Å; W405-P411 HydrophobicContact CH2-CG 3.99Å; W405-P411 HydrophobicContact CZ3-CB 4.35Å; W405-P411 HydrophobicContact CZ3-CG 3.75Å; W405-F444 HydrophobicContact CH2-CZ 4.49Å; W405-F444 HydrophobicContact CZ3-CE2 4.39Å; W405-F444 HydrophobicContact CZ3-CZ 4.23Å
406F98Very high97.7Very high19 Ų1938.1 Ų38.18%0.08318%0.178CC..Hα-helixtrans-61.8-42.6179.7-163.4-73.9000111.4F402 Q403 Y408 R410 P411 F444 V445 N446F402-F406 HydrophobicContact CE2-CD2 4.05Å; F402-F406 HydrophobicContact CZ-CD2 4.17Å; F402-F406 WeakPolarHBondContact O-CB 3.25Å; F402-F406 PolarHBondContact O-N 2.79Å; Q403-F406 PolarHBondContact O-N 3.27Å; F406-Y408 VanDerWaalsContact C-N 3.34Å; F406-Y408 PolarHBondContact O-N 2.85Å; F406-R410 WeakPolarHBondContact O-CA 3.48Å; F406-R410 PolarHBondContact O-N 2.89Å; F406-P411 HydrophobicContact CD1-CG 4.4Å; F406-P411 HydrophobicContact CD2-CG 3.66Å; F406-P411 HydrophobicContact CE1-CG 4.24Å; F406-P411 HydrophobicContact CE2-CG 3.48Å; F406-P411 VanDerWaalsContact CE2-CG 3.48Å; F406-P411 HydrophobicContact CG-CG 4.11Å; F406-P411 HydrophobicContact CZ-CG 3.79Å; F406-P411 WeakPolarHBondContact O-CD 3.49Å; F406-F444 HydrophobicContact CD2-CE2 4.48Å; F406-F444 HydrophobicContact CE2-CD1 4Å; F406-F444 HydrophobicContact CE2-CD2 4.28Å; F406-F444 HydrophobicContact CE2-CE1 4.04Å; F406-F444 HydrophobicContact CE2-CE2 4.28Å; F406-F444 HydrophobicContact CE2-CG 4.14Å; F406-F444 HydrophobicContact CE2-CZ 4.18Å; F406-F444 WeakPolarHBondContact CE2-O 3.37Å; F406-V445 VanDerWaalsContact CZ-C 3.49Å; F406-V445 VanDerWaalsContact CZ-CA 3.48Å; F406-N446 HydrophobicContact CD1-CB 4.24Å; F406-N446 HydrophobicContact CE1-CB 4.15Å; F406-N446 VanDerWaalsContact CE1-N 3.31Å
407M97.7Very high97.6Very high52 Ų5239.1 Ų39.126%0.25618%0.184SC..Hα-helixtrans-64-37.5178.3-74.7172.76100113Q403 L404 W405 R410 F457 L470Q403-M407 HydrophobicContact CG-CG 4.45Å; Q403-M407 HydrophobicContact CG-SD 4.05Å; Q403-M407 VanDerWaalsContact NE2-CG 3.27Å; Q403-M407 PolarHBondContact NE2-SD 2.91Å; Q403-M407 WeakPolarHBondContact O-CB 3.38Å; Q403-M407 VanDerWaalsContact O-CG 3.25Å; Q403-M407 WeakPolarHBondContact O-CG 3.31Å; Q403-M407 PolarHBondContact O-N 2.92Å; L404-M407 PolarHBondContact O-N 3.08Å; W405-M407 VanDerWaalsContact C-N 3.35Å; W405-M407 PolarHBondContact O-N 3.46Å; M407-R410 WeakPolarHBondContact O-CG 3.34Å; M407-F457 HydrophobicContact CE-CE2 4.03Å; M407-F457 HydrophobicContact SD-CD2 4.35Å; M407-F457 HydrophobicContact SD-CE2 3.54Å; M407-F457 VanDerWaalsContact SD-CE2 3.54Å; M407-F457 HydrophobicContact SD-CZ 3.64Å; M407-L470 HydrophobicContact CB-CD2 3.66Å; M407-L470 HydrophobicContact CE-CD1 3.69Å; M407-L470 HydrophobicContact CE-CD2 4.33Å
408Y97.4Very high97.4Very high77 Ų7740.4 Ų40.430%0.30219%0.191SC..Hα-helixtrans-75.2-54.3178.8177.8-100.6000111.9L404 W405 F406 R410 Y469 G473 P474L404-Y408 PolarHBondContact O-N 3.43Å; L404-Y408 VanDerWaalsContact O-N 3.17Å; W405-Y408 PolarHBondContact O-N 2.98Å; F406-Y408 VanDerWaalsContact C-N 3.34Å; F406-Y408 PolarHBondContact O-N 2.85Å; Y408-R410 PolarHBondContact O-N 2.75Å; Y408-Y469 HydrophobicContact CD1-CE1 4.32Å; Y408-Y469 HydrophobicContact CD2-CE1 4.34Å; Y408-Y469 AromaticContact CG-CE1 3.82Å; Y408-Y469 HydrophobicContact CG-CE1 3.82Å; Y408-G473 WeakPolarHBondContact OH-CA 3.02Å; Y408-P474 HydrophobicContact CE1-CG 4.31Å; Y408-P474 WeakPolarHBondContact OH-CD 3.12Å
409N96.8Very high97Very high41 Ų4147 Ų4722%0.21922%0.221CC..Hα-helixtrans-77.8-20.4-173.4-69.4-68000113.5W405W405-N409 VanDerWaalsContact CE2-ND2 3.28Å; W405-N409 HydrophobicContact CH2-CB 4.42Å; W405-N409 HydrophobicContact CZ2-CB 4.07Å; W405-N409 PolarHBondContact NE1-ND2 2.78Å; W405-N409 PolarHBondContact O-N 2.79Å; W405-N409 PolarHBondContact O-ND2 2.96Å
410R96.7Very high96.6Very high209 Ų20949.5 Ų49.579%0.78925%0.249SC*.  trans47.152.7-179.9-56.8179.4-176174.21.2112.6F406 M407 Y408F406-R410 WeakPolarHBondContact O-CA 3.48Å; F406-R410 PolarHBondContact O-N 2.89Å; M407-R410 WeakPolarHBondContact O-CG 3.34Å; Y408-R410 PolarHBondContact O-N 2.75Å
411P97.2Very high96.3Very high17 Ų1751 Ų5111%0.1126%0.258CS..  trans-62.7147.4-175.933-39.7000110.5W405 F406 D415 F444W405-P411 HydrophobicContact CH2-CB 4.08Å; W405-P411 HydrophobicContact CH2-CG 3.99Å; W405-P411 HydrophobicContact CZ3-CB 4.35Å; W405-P411 HydrophobicContact CZ3-CG 3.75Å; F406-P411 HydrophobicContact CD1-CG 4.4Å; F406-P411 HydrophobicContact CD2-CG 3.66Å; F406-P411 HydrophobicContact CE1-CG 4.24Å; F406-P411 HydrophobicContact CE2-CG 3.48Å; F406-P411 VanDerWaalsContact CE2-CG 3.48Å; F406-P411 HydrophobicContact CG-CG 4.11Å; F406-P411 HydrophobicContact CZ-CG 3.79Å; F406-P411 WeakPolarHBondContact O-CD 3.49Å; P411-D415 WeakPolarHBondContact CA-OD2 3.33Å; P411-D415 HydrophobicContact CB-CB 4.21Å; P411-F444 HydrophobicContact CB-CE1 3.79Å; P411-F444 HydrophobicContact CB-CZ 3.84Å; P411-F444 HydrophobicContact CG-CE1 3.76Å; P411-F444 HydrophobicContact CG-CZ 3.69Å
412R97Very high96Very high157 Ų15753.1 Ų53.159%0.59228%0.275SS*.  trans-77.5155.5171.5-59.2171.5-60.5170.67.1109.2T414 D415R412-T414 PolarHBondContact O-N 3.49Å; R412-D415 IonicContact CZ-OD1 3.86Å; R412-D415 PolarHBondContact N-OD2 3.03Å; R412-D415 IonicContact NE-OD1 3.52Å; R412-D415 PolarHBondContact NE-OD1 3.14Å; R412-D415 IonicContact NE-OD2 3.09Å; R412-D415 IonicContact NH2-OD1 2.83Å; R412-D415 PolarHBondContact NH2-OD1 3.37Å; R412-D415 WeakPolarHBondContact O-CB 3.43Å; R412-D415 PolarHBondContact O-N 3.08Å
413P96.6Very high95.7Very high81 Ų8154.7 Ų54.753%0.52628%0.283SS..G310 helixtrans-52.9-30.4172.1-27.735.7000113.6D415 Y416 R427 V441P413-D415 VanDerWaalsContact C-N 3.3Å; P413-D415 PolarHBondContact O-N 3.36Å; P413-Y416 PolarHBondContact O-N 3.07Å; P413-R427 WeakPolarHBondContact O-CD 3.05Å; P413-V441 HydrophobicContact CB-CG2 3.98Å
414T96.1Very high95.5Very high78 Ų7855.4 Ų55.448%0.47929%0.291SS..G310 helixtrans-74.1-15.6178.354.40000114.9R412 Y416R412-T414 PolarHBondContact O-N 3.49Å; T414-Y416 PolarHBondContact O-N 2.97Å
415D96Very high95.4Very high58 Ų5855.4 Ų55.431%0.3129%0.291SS..G310 helixtrans-75.7-14.3175.1-54.8-26.2000110.7P411 R412 P413P411-D415 WeakPolarHBondContact CA-OD2 3.33Å; P411-D415 HydrophobicContact CB-CB 4.21Å; R412-D415 IonicContact CZ-OD1 3.86Å; R412-D415 PolarHBondContact N-OD2 3.03Å; R412-D415 IonicContact NE-OD1 3.52Å; R412-D415 PolarHBondContact NE-OD1 3.14Å; R412-D415 IonicContact NE-OD2 3.09Å; R412-D415 IonicContact NH2-OD1 2.83Å; R412-D415 PolarHBondContact NH2-OD1 3.37Å; R412-D415 WeakPolarHBondContact O-CB 3.43Å; R412-D415 PolarHBondContact O-N 3.08Å; P413-D415 VanDerWaalsContact C-N 3.3Å; P413-D415 PolarHBondContact O-N 3.36Å
416Y97.4Very high95.3Very high0 Ų055.4 Ų55.40%029%0.291CS..SBendtrans-79.8118.7157.8-162.1-68.3000108.9V209 G210 T213 F332 P413 T414 N425 R427 H440 F444V209-Y416 HydrophobicContact CG1-CE1 4.12Å; V209-Y416 HydrophobicContact CG2-CE1 4.32Å; V209-Y416 HydrophobicContact CG2-CE2 4.17Å; G210-Y416 WeakPolarHBondContact CA-OH 3.45Å; G210-Y416 PolarHBondContact N-OH 3.35Å; T213-Y416 HydrophobicContact CG2-CD2 4.24Å; T213-Y416 HydrophobicContact CG2-CE2 3.73Å; F332-Y416 HydrophobicContact CD1-CD2 4.27Å; F332-Y416 AromaticContact CE1-CD2 3.53Å; F332-Y416 HydrophobicContact CE1-CD2 3.53Å; F332-Y416 AromaticContact CE1-CE2 3.73Å; F332-Y416 HydrophobicContact CE1-CE2 3.73Å; F332-Y416 HydrophobicContact CE1-CG 4.37Å; F332-Y416 HydrophobicContact CZ-CD2 4.2Å; F332-Y416 HydrophobicContact CZ-CE2 4.17Å; P413-Y416 PolarHBondContact O-N 3.07Å; T414-Y416 PolarHBondContact O-N 2.97Å; Y416-N425 VanDerWaalsContact CE1-O 3.24Å; Y416-N425 WeakPolarHBondContact CE1-O 3.43Å; Y416-N425 PolarHBondContact OH-O 2.85Å; Y416-R427 VanDerWaalsContact CD1-CA 3.46Å; Y416-R427 HydrophobicContact CD1-CB 3.76Å; Y416-R427 HydrophobicContact CD1-CG 4.24Å; Y416-R427 HydrophobicContact CE1-CB 4.46Å; Y416-H440 HydrophobicContact CE1-CB 3.82Å; Y416-H440 HydrophobicContact CE2-CB 4.06Å; Y416-H440 AromaticContact CZ-CG 3.8Å; Y416-H440 AromaticContact CZ-ND1 3.9Å; Y416-H440 WeakPolarHBondContact OH-CB 3.4Å; Y416-H440 PolarHBondContact OH-ND1 2.92Å; Y416-F444 HydrophobicContact CD2-CB 3.96Å; Y416-F444 HydrophobicContact CD2-CD1 4.41Å; Y416-F444 AromaticContact CD2-CD2 3.64Å; Y416-F444 HydrophobicContact CD2-CD2 3.64Å; Y416-F444 HydrophobicContact CD2-CE2 4.23Å; Y416-F444 AromaticContact CD2-CG 3.74Å; Y416-F444 HydrophobicContact CD2-CG 3.74Å; Y416-F444 HydrophobicContact CE2-CD2 4.46Å; Y416-F444 HydrophobicContact CG-CG 4.32Å
417P95.4Very high95.2Very high20 Ų2057.1 Ų57.113%0.1330%0.297CS..  trans-70.3139.7-171.531.3-40.7000112.8V209 Y333 V421 R427V209-P417 HydrophobicContact CB-CG 4.49Å; V209-P417 HydrophobicContact CG1-CG 4.34Å; V209-P417 HydrophobicContact CG2-CG 3.87Å; Y333-P417 HydrophobicContact CD1-CB 4.01Å; Y333-P417 HydrophobicContact CD1-CG 3.53Å; Y333-P417 HydrophobicContact CE1-CB 4.25Å; Y333-P417 HydrophobicContact CE1-CG 3.96Å; Y333-P417 HydrophobicContact CG-CG 3.92Å; P417-V421 HydrophobicContact CB-CG1 3.8Å; P417-V421 HydrophobicContact CG-CG1 3.34Å; P417-R427 PolarHBondContact O-N 3.47Å
418N94.3Very high95.2Very high27 Ų2756.8 Ų56.814%0.14430%0.295CS..SBendtrans-94.8-13.8170.6-160.362.2000113.3C426 R427 E428N418-C426 WeakPolarHBondContact O-CB 3.42Å; N418-R427 HydrophobicContact CB-CB 4.14Å; N418-E428 PolarHBondContact OD1-N 3.39Å
419H91.9Very high95.1Very high142 Ų14253.3 Ų53.366%0.65728%0.281SS*.SBendtrans-139.1162.1-176.5-57.1-66.3000110.3V421H419-V421 VanDerWaalsContact C-N 3.29Å; H419-V421 PolarHBondContact O-N 3Å
420G89.3Confident95.1Very high60 Ų6051.7 Ų51.762%0.61927%0.273SS*.SBendtrans72.521.2178.200000114Y333Y333-G420 PolarHBondContact OH-O 3.32Å
421V92.8Very high95.1Very high32 Ų3241.7 Ų41.719%0.19424%0.235CC..SBendtrans-119.9166.9-179.8-60.50000111.7V209 Y333 P417 H419 C426V209-V421 HydrophobicContact CB-CG1 4.39Å; V209-V421 HydrophobicContact CG1-CB 3.89Å; V209-V421 HydrophobicContact CG1-CG1 3.78Å; V209-V421 HydrophobicContact CG1-CG2 4.32Å; Y333-V421 HydrophobicContact CD1-CG1 4.48Å; Y333-V421 HydrophobicContact CE1-CG1 3.81Å; Y333-V421 HydrophobicContact CE2-CG1 4.23Å; P417-V421 HydrophobicContact CB-CG1 3.8Å; P417-V421 HydrophobicContact CG-CG1 3.34Å; H419-V421 VanDerWaalsContact C-N 3.29Å; H419-V421 PolarHBondContact O-N 3Å; V421-C426 HydrophobicContact CG2-CB 3.99Å
422A92.2Very high95Very high44 Ų4441 Ų4136%0.36423%0.23SC..  trans-56.4149.6174.200000111.7V208 G424 N425V208-A422 HydrophobicContact CB-CB 4.28Å; V208-A422 HydrophobicContact CG1-CB 3.46Å; V208-A422 VanDerWaalsContact CG1-CB 3.46Å; A422-G424 PolarHBondContact O-N 3Å; A422-N425 WeakPolarHBondContact O-CB 3.39Å; A422-N425 PolarHBondContact O-N 3.48Å; A422-N425 VanDerWaalsContact O-N 3.1Å
423L93Very high94.9Very high33 Ų3333.5 Ų33.517%0.17320%0.203CC..THydrogen-bonded Turntrans-54.2139-178.4-64.8171.2000111.1D67 L73 M79 N204 N425D67-L423 HydrophobicContact CB-CD2 3.65Å; L73-L423 HydrophobicContact CD1-CD1 3.49Å; L73-L423 VanDerWaalsContact CD1-CD1 3.49Å; M79-L423 HydrophobicContact CE-CB 4.4Å; M79-L423 HydrophobicContact SD-CB 4.35Å; M79-L423 HydrophobicContact SD-CD1 3.83Å; N204-L423 PolarHBondContact ND2-O 2.79Å; L423-N425 PolarHBondContact O-N 2.79Å; L423-N425 PolarHBondContact O-ND2 2.92Å; L423-N425 VanDerWaalsContact O-ND2 3.08Å
424G93.6Very high94.8Very high15 Ų1529.8 Ų29.816%0.15518%0.178CC..THydrogen-bonded Turntrans71.8-0.2-179.400000115.7D67 A422 C429 H440D67-G424 PolarHBondContact OD2-N 3.13Å; A422-G424 PolarHBondContact O-N 3Å; G424-C429 WeakPolarHBondContact O-CB 3.47Å; G424-H440 PolarHBondContact O-NE2 2.99Å
425N95.3Very high94.7Very high0 Ų026.3 Ų26.30%016%0.157CC..  trans-1076.5-177.3-75.3-90.4000114.4N204 V208 V209 G210 Y416 A422 L423N204-N425 PolarHBondContact O-OD1 3.2Å; V208-N425 HydrophobicContact CB-CB 4.4Å; V208-N425 WeakPolarHBondContact CG2-OD1 3.38Å; V209-N425 HydrophobicContact CG1-CB 3.9Å; V209-N425 VanDerWaalsContact CG1-O 3.24Å; V209-N425 WeakPolarHBondContact CG1-O 3.43Å; G210-N425 WeakPolarHBondContact CA-OD1 3.24Å; G210-N425 PolarHBondContact N-OD1 2.8Å; Y416-N425 VanDerWaalsContact CE1-O 3.24Å; Y416-N425 WeakPolarHBondContact CE1-O 3.43Å; Y416-N425 PolarHBondContact OH-O 2.85Å; A422-N425 WeakPolarHBondContact O-CB 3.39Å; A422-N425 PolarHBondContact O-N 3.48Å; A422-N425 VanDerWaalsContact O-N 3.1Å; L423-N425 PolarHBondContact O-N 2.79Å; L423-N425 PolarHBondContact O-ND2 2.92Å; L423-N425 VanDerWaalsContact O-ND2 3.08Å
426C95.7Very high94.5Very high1 Ų124.2 Ų24.21%0.00715%0.146CC..SBendtrans-67.4160.7177.480.10000112.3Q65 N418 V421 E428 C429 H440Q65-C426 VanDerWaalsContact CG-SG 3.58Å; N418-C426 WeakPolarHBondContact O-CB 3.42Å; V421-C426 HydrophobicContact CG2-CB 3.99Å; C426-E428 VanDerWaalsContact C-N 3.27Å; C426-E428 PolarHBondContact O-N 2.91Å; C426-C429 HydrophobicContact CB-CB 4.14Å; C426-C429 WeakPolarHBondContact CB-SG 2.91Å; C426-C429 PolarHBondContact N-SG 3.15Å; C426-C429 VanDerWaalsContact N-SG 3.38Å; C426-C429 VanDerWaalsContact O-CB 3.3Å; C426-C429 WeakPolarHBondContact O-CB 2.91Å; C426-C429 PolarHBondContact O-N 3.5Å; C426-C429 VanDerWaalsContact SG-CA 3.57Å; C426-C429 WeakPolarHBondContact SG-CB 3.4Å; C426-C429 PolarHBondContact SG-N 2.89Å; C426-C429 CovalentContact SG-SG 2.04Å; C426-C429 PolarHBondContact SG-SG 3.48Å; C426-H440 PolarHBondContact O-CD2 3.06Å
427R97.1Very high94.3Very high56 Ų5625.2 Ų25.221%0.21115%0.152CC..THydrogen-bonded Turntrans-46.6-48.8178.9-173.7177.368.8-139.32113.5P413 Y416 P417 N418 V441P413-R427 WeakPolarHBondContact O-CD 3.05Å; Y416-R427 VanDerWaalsContact CD1-CA 3.46Å; Y416-R427 HydrophobicContact CD1-CB 3.76Å; Y416-R427 HydrophobicContact CD1-CG 4.24Å; Y416-R427 HydrophobicContact CE1-CB 4.46Å; P417-R427 PolarHBondContact O-N 3.47Å; N418-R427 HydrophobicContact CB-CB 4.14Å; R427-V441 HydrophobicContact CG-CB 3.57Å; R427-V441 HydrophobicContact CG-CG1 4.48Å; R427-V441 HydrophobicContact CG-CG2 3.7Å; R427-V441 WeakPolarHBondContact O-CB 3.39Å; R427-V441 PolarHBondContact O-N 2.02Å; R427-V441 VanDerWaalsContact O-N 3.12Å
428E96.5Very high94.3Very high44 Ų4424.3 Ų24.321%0.20615%0.146CC..THydrogen-bonded Turntrans-91.81.9-176.9-61.4-56.6140.700114.2Y63 N418 C426 K439Y63-E428 HydrophobicContact CE1-CB 4.12Å; N418-E428 PolarHBondContact OD1-N 3.39Å; C426-E428 VanDerWaalsContact C-N 3.27Å; C426-E428 PolarHBondContact O-N 2.91Å; E428-K439 WeakPolarHBondContact O-CE 3.18Å; E428-K439 IonicContact OE2-NZ 3.74Å; E428-K439 PolarHBondContact OE2-NZ 2.8Å
429C96.6Very high94.4Very high4 Ų424.8 Ų24.83%0.02715%0.147CC..SBendtrans-76.2138.7179.7-69.30000109.8G424 C426 K439 H440G424-C429 WeakPolarHBondContact O-CB 3.47Å; C426-C429 HydrophobicContact CB-CB 4.14Å; C426-C429 WeakPolarHBondContact CB-SG 2.91Å; C426-C429 PolarHBondContact N-SG 3.15Å; C426-C429 VanDerWaalsContact N-SG 3.38Å; C426-C429 VanDerWaalsContact O-CB 3.3Å; C426-C429 WeakPolarHBondContact O-CB 2.91Å; C426-C429 PolarHBondContact O-N 3.5Å; C426-C429 VanDerWaalsContact SG-CA 3.57Å; C426-C429 WeakPolarHBondContact SG-CB 3.4Å; C426-C429 PolarHBondContact SG-N 2.89Å; C426-C429 CovalentContact SG-SG 2.04Å; C426-C429 PolarHBondContact SG-SG 3.48Å; C429-K439 VanDerWaalsContact O-CA 3.29Å; C429-K439 WeakPolarHBondContact O-CA 3.04Å; C429-H440 PolarHBondContact O-CD2 3.22Å; C429-H440 PolarHBondContact O-N 2.91Å
430N96.2Very high94.7Very high7 Ų718.1 Ų18.14%0.03712%0.116CC..BIsolated β-bridgetrans-71.6130.6171.1-64-39.8000109.2E62 Y63 W81 V432 T437 I438 K439E62-N430 PolarHBondContact OE1-ND2 2.87Å; Y63-N430 PolarHBondContact O-ND2 2.71Å; W81-N430 WeakPolarHBondContact O-CB 3.48Å; W81-N430 PolarHBondContact O-ND2 3.4Å; N430-V432 PolarHBondContact O-N 2.86Å; N430-T437 HydrophobicContact CB-CG2 4.38Å; N430-I438 CarbonylContact C-O 3.58Å; N430-I438 WeakPolarHBondContact CA-O 3.35Å; N430-K439 WeakPolarHBondContact OD1-CG 3.2Å
431M96.9Very high95.1Very high0 Ų016.6 Ų16.60%010%0.095CC..PPolyproline II helixtrans-62.7120.5176.7-70.7-179.6-65.800109.9W81 W214 Y217 F434 I438 M443W81-M431 PolarHBondContact NE1-O 3.24Å; W214-M431 VanDerWaalsContact CA-SD 3.57Å; W214-M431 HydrophobicContact CB-SD 4.29Å; Y217-M431 HydrophobicContact CD1-CE 3.98Å; Y217-M431 HydrophobicContact CG-CE 3.78Å; M431-F434 HydrophobicContact CB-CD2 3.69Å; M431-F434 HydrophobicContact CB-CE2 4.11Å; M431-I438 HydrophobicContact CE-CB 3.58Å; M431-I438 HydrophobicContact CE-CG2 3.29Å; M431-I438 PolarHBondContact N-O 2.79Å; M431-M443 HydrophobicContact CE-CG 3.81Å; M431-M443 HydrophobicContact SD-CG 4.42Å
432V95.6Very high95.3Very high1 Ų118.4 Ų18.41%0.00610%0.101CC..THydrogen-bonded Turntrans-59.1136-179.8176.10000110.4R78 W81 Y183 N204 W214 N430R78-V432 HydrophobicContact CB-CG1 3.71Å; R78-V432 HydrophobicContact CB-CG2 4.3Å; R78-V432 HydrophobicContact CG-CG1 3.6Å; W81-V432 HydrophobicContact CB-CG2 4.02Å; W81-V432 HydrophobicContact CG-CG2 4.4Å; Y183-V432 HydrophobicContact CD1-CG1 4.3Å; Y183-V432 HydrophobicContact CE1-CG1 4.04Å; N204-V432 HydrophobicContact CB-CB 3.87Å; N204-V432 HydrophobicContact CB-CG1 4.4Å; N204-V432 HydrophobicContact CB-CG2 3.88Å; W214-V432 PolarHBondContact NE1-O 3.42Å; N430-V432 PolarHBondContact O-N 2.86Å
433G93.9Very high95.6Very high1 Ų116.3 Ų16.31%0.018%0.084CC..THydrogen-bonded Turntrans96.4-4.6176.700000115.1
434F95.1Very high95.9Very high2 Ų214.9 Ų14.91%0.0098%0.076CC..  trans-114.1131.2180-58.4-67.9000113.3W81 I180 W214 Y217 Y218 F221 M431W81-F434 PolarHBondContact NE1-O 2.92Å; I180-F434 HydrophobicContact CG2-CD1 4.39Å; I180-F434 HydrophobicContact CG2-CE1 3.83Å; I180-F434 HydrophobicContact CG2-CZ 4.17Å; W214-F434 AromaticContact CD1-CE2 3.9Å; W214-F434 AromaticContact CD2-CE2 3.97Å; W214-F434 HydrophobicContact CD2-CE2 3.97Å; W214-F434 HydrophobicContact CD2-CZ 4.22Å; W214-F434 AromaticContact CE2-CE2 3.48Å; W214-F434 VanDerWaalsContact CE2-CE2 3.48Å; W214-F434 AromaticContact CE2-CZ 3.76Å; W214-F434 HydrophobicContact CG-CE2 4.19Å; W214-F434 HydrophobicContact CH2-CZ 4.06Å; W214-F434 AromaticContact CZ2-CE2 3.84Å; W214-F434 HydrophobicContact CZ2-CE2 3.84Å; W214-F434 AromaticContact CZ2-CZ 3.68Å; W214-F434 HydrophobicContact CZ2-CZ 3.68Å; W214-F434 AromaticContact NE1-CE2 3.44Å; Y217-F434 HydrophobicContact CD1-CB 4.31Å; Y217-F434 AromaticContact CD1-CD1 3.64Å; Y217-F434 HydrophobicContact CD1-CD1 3.64Å; Y217-F434 AromaticContact CD1-CD2 3.62Å; Y217-F434 HydrophobicContact CD1-CD2 3.62Å; Y217-F434 AromaticContact CD1-CE1 3.74Å; Y217-F434 HydrophobicContact CD1-CE1 3.74Å; Y217-F434 AromaticContact CD1-CE2 3.71Å; Y217-F434 HydrophobicContact CD1-CE2 3.71Å; Y217-F434 AromaticContact CD1-CG 3.57Å; Y217-F434 HydrophobicContact CD1-CG 3.57Å; Y217-F434 AromaticContact CD1-CZ 3.77Å; Y217-F434 HydrophobicContact CD1-CZ 3.77Å; Y217-F434 HydrophobicContact CE1-CB 3.82Å; Y217-F434 AromaticContact CE1-CD1 3.45Å; Y217-F434 HydrophobicContact CE1-CD1 3.45Å; Y217-F434 VanDerWaalsContact CE1-CD1 3.45Å; Y217-F434 HydrophobicContact CE1-CD2 4.02Å; Y217-F434 AromaticContact CE1-CE1 3.96Å; Y217-F434 HydrophobicContact CE1-CE1 3.96Å; Y217-F434 HydrophobicContact CE1-CE2 4.45Å; Y217-F434 AromaticContact CE1-CG 3.48Å; Y217-F434 HydrophobicContact CE1-CG 3.48Å; Y217-F434 VanDerWaalsContact CE1-CG 3.48Å; Y217-F434 HydrophobicContact CE1-CZ 4.44Å; Y218-F434 HydrophobicContact CD2-CE1 4.15Å; Y218-F434 HydrophobicContact CD2-CZ 4.01Å; Y218-F434 HydrophobicContact CG-CZ 4.47Å; F221-F434 HydrophobicContact CD1-CD1 4.06Å; F221-F434 HydrophobicContact CD1-CE1 4.03Å; M431-F434 HydrophobicContact CB-CD2 3.69Å; M431-F434 HydrophobicContact CB-CE2 4.11Å
435I93.3Very high96.1Very high6 Ų615.6 Ų15.63%0.0318%0.078CC..SBendtrans-133.9130.8167.8-68.1170.1000107.3I23 P24 W81 F86 F89 I99 Y149I23-I435 HydrophobicContact CD1-CD1 3.61Å; P24-I435 VanDerWaalsContact CD-CG2 3.48Å; P24-I435 HydrophobicContact CG-CG2 3.69Å; W81-I435 HydrophobicContact CH2-CD1 4.22Å; W81-I435 HydrophobicContact CZ2-CD1 3.97Å; W81-I435 HydrophobicContact CZ2-CG1 3.81Å; F86-I435 HydrophobicContact CD2-CD1 4.16Å; F86-I435 HydrophobicContact CE2-CD1 4.16Å; F89-I435 HydrophobicContact CD1-CG2 4.42Å; F89-I435 HydrophobicContact CE1-CG2 3.53Å; F89-I435 HydrophobicContact CZ-CD1 4.37Å; F89-I435 HydrophobicContact CZ-CG1 4.28Å; F89-I435 HydrophobicContact CZ-CG2 4.04Å; I99-I435 HydrophobicContact CD1-CG2 3.71Å; Y149-I435 VanDerWaalsContact CE1-O 3.25Å; Y149-I435 WeakPolarHBondContact CE1-O 2.99Å; Y149-I435 PolarHBondContact OH-O 3.17Å
436P91.7Very high96.2Very high13 Ų1317.8 Ų17.88%0.0849%0.089CC..SBendcis-58.2155.1-528.9-36.6000111.9F97 I99F97-P436 HydrophobicContact CE2-CG 3.94Å; F97-P436 HydrophobicContact CZ-CG 3.78Å; I99-P436 HydrophobicContact CD1-CB 4.24Å
437T94.3Very high96.3Very high21 Ų2117.7 Ų17.713%0.1299%0.089CC..  trans-65.9143.8-174.750.80000111.3E62 P82 F89 N430E62-T437 HydrophobicContact CG-CG2 4.29Å; E62-T437 WeakPolarHBondContact OE1-CB 3.35Å; E62-T437 PolarHBondContact OE1-OG1 2.79Å; E62-T437 PolarHBondContact OE2-OG1 3.42Å; P82-T437 HydrophobicContact CB-CG2 4.47Å; P82-T437 HydrophobicContact CG-CG2 3.52Å; F89-T437 HydrophobicContact CD2-CG2 4.43Å; F89-T437 HydrophobicContact CE2-CG2 4.13Å; N430-T437 HydrophobicContact CB-CG2 4.38Å
438I94.9Very high96.3Very high1 Ų119.9 Ų19.91%0.00510%0.1CC..  trans-139.4134.4175.1-55.7-66.6000108.5F97 W105 Y217 N430 M431 Q442 M443F97-I438 HydrophobicContact CE2-CD1 3.61Å; F97-I438 HydrophobicContact CZ-CD1 3.76Å; W105-I438 HydrophobicContact CH2-CD1 3.88Å; W105-I438 HydrophobicContact CZ3-CD1 3.8Å; Y217-I438 HydrophobicContact CD1-CG1 4.39Å; Y217-I438 HydrophobicContact CD2-CG1 4.28Å; Y217-I438 HydrophobicContact CD2-CG2 4.18Å; Y217-I438 HydrophobicContact CE1-CB 4.38Å; Y217-I438 HydrophobicContact CE1-CG1 3.81Å; Y217-I438 HydrophobicContact CE2-CB 4.43Å; Y217-I438 HydrophobicContact CE2-CD1 4.22Å; Y217-I438 HydrophobicContact CE2-CG1 3.67Å; Y217-I438 HydrophobicContact CE2-CG2 4.33Å; Y217-I438 HydrophobicContact CG-CG2 4.42Å; Y217-I438 VanDerWaalsContact CZ-CG1 3.43Å; N430-I438 CarbonylContact C-O 3.58Å; N430-I438 WeakPolarHBondContact CA-O 3.35Å; M431-I438 HydrophobicContact CE-CB 3.58Å; M431-I438 HydrophobicContact CE-CG2 3.29Å; M431-I438 PolarHBondContact N-O 2.79Å; I438-Q442 HydrophobicContact CG2-CB 4.13Å; I438-M443 HydrophobicContact CG2-CE 3.77Å; I438-M443 HydrophobicContact CG2-CG 4.35Å
439K96.8Very high96.4Very high38 Ų3822.9 Ų22.917%0.16512%0.117CC..BIsolated β-bridgetrans-87.3152.8178.2-62.6174.2168.2-169.40112.3Y63 E428 C429 N430 V441 Q442Y63-K439 VanDerWaalsContact CD1-CE 3.44Å; Y63-K439 VanDerWaalsContact CD1-NZ 3.27Å; E428-K439 WeakPolarHBondContact O-CE 3.18Å; E428-K439 IonicContact OE2-NZ 3.74Å; E428-K439 PolarHBondContact OE2-NZ 2.8Å; C429-K439 VanDerWaalsContact O-CA 3.29Å; C429-K439 WeakPolarHBondContact O-CA 3.04Å; N430-K439 WeakPolarHBondContact OD1-CG 3.2Å; K439-V441 VanDerWaalsContact C-N 3.28Å; K439-V441 HydrophobicContact CB-CG1 4.06Å; K439-V441 PolarHBondContact O-N 3.12Å; K439-Q442 HydrophobicContact CB-CG 4.31Å; K439-Q442 WeakPolarHBondContact O-CB 3.43Å; K439-Q442 PolarHBondContact O-N 3.44Å; K439-Q442 VanDerWaalsContact O-N 3.09Å
440H98Very high96.4Very high1 Ų122.9 Ų22.91%0.00512%0.116CC..G310 helixtrans-54.6-42.6174.1-74.8-82.2000112.9G210 T213 Y416 G424 C426 C429 Q442 M443 F444G210-H440 VanDerWaalsContact CA-CE1 3.42Å; G210-H440 WeakPolarHBondContact CA-CE1 3.33Å; T213-H440 PolarHBondContact OG1-ND1 2.88Å; Y416-H440 HydrophobicContact CE1-CB 3.82Å; Y416-H440 HydrophobicContact CE2-CB 4.06Å; Y416-H440 AromaticContact CZ-CG 3.8Å; Y416-H440 AromaticContact CZ-ND1 3.9Å; Y416-H440 WeakPolarHBondContact OH-CB 3.4Å; Y416-H440 PolarHBondContact OH-ND1 2.92Å; G424-H440 PolarHBondContact O-NE2 2.99Å; C426-H440 PolarHBondContact O-CD2 3.06Å; C429-H440 PolarHBondContact O-CD2 3.22Å; C429-H440 PolarHBondContact O-N 2.91Å; H440-Q442 PolarHBondContact O-N 3Å; H440-Q442 VanDerWaalsContact O-N 3.16Å; H440-M443 PolarHBondContact O-N 3.48Å; H440-F444 PolarHBondContact O-N 3.47Å
441V97.7Very high96.5Very high29 Ų2922.7 Ų22.718%0.17612%0.116CC..G310 helixtrans-59.3-28.4179.372.70000113.8P413 R427 K439 M443 F444P413-V441 HydrophobicContact CB-CG2 3.98Å; R427-V441 HydrophobicContact CG-CB 3.57Å; R427-V441 HydrophobicContact CG-CG1 4.48Å; R427-V441 HydrophobicContact CG-CG2 3.7Å; R427-V441 WeakPolarHBondContact O-CB 3.39Å; R427-V441 PolarHBondContact O-N 2.02Å; R427-V441 VanDerWaalsContact O-N 3.12Å; K439-V441 VanDerWaalsContact C-N 3.28Å; K439-V441 HydrophobicContact CB-CG1 4.06Å; K439-V441 PolarHBondContact O-N 3.12Å; V441-M443 PolarHBondContact O-N 3.21Å; V441-F444 PolarHBondContact O-N 3.32Å
442Q97.3Very high96.6Very high69 Ų6922.8 Ų22.832%0.32212%0.116SC..G310 helixtrans-71.3-18.5178.4-64.8175.5-87.900112.3I438 K439 H440I438-Q442 HydrophobicContact CG2-CB 4.13Å; K439-Q442 HydrophobicContact CB-CG 4.31Å; K439-Q442 WeakPolarHBondContact O-CB 3.43Å; K439-Q442 PolarHBondContact O-N 3.44Å; K439-Q442 VanDerWaalsContact O-N 3.09Å; H440-Q442 PolarHBondContact O-N 3Å; H440-Q442 VanDerWaalsContact O-N 3.16Å
443M98.3Very high96.7Very high0 Ų023.4 Ų23.40%012%0.12CC..THydrogen-bonded Turntrans-106-14.8178.2-61.2-61.3125.200112.8W105 T213 R216 Y217 L220 M431 I438 H440 V441 V445 I450W105-M443 HydrophobicContact CH2-CE 4.12Å; W105-M443 HydrophobicContact CZ2-CE 3.97Å; T213-M443 HydrophobicContact CG2-CB 4.04Å; R216-M443 VanDerWaalsContact CD-O 3.26Å; R216-M443 WeakPolarHBondContact CD-O 3.44Å; R216-M443 HydrophobicContact CG-CB 4.49Å; R216-M443 HydrophobicContact CG-SD 4.37Å; R216-M443 PolarHBondContact NH1-O 2.91Å; Y217-M443 HydrophobicContact CD2-CE 3.78Å; Y217-M443 HydrophobicContact CD2-SD 3.82Å; Y217-M443 HydrophobicContact CE2-CE 4.43Å; Y217-M443 HydrophobicContact CG-SD 4.3Å; L220-M443 HydrophobicContact CD1-SD 4.2Å; M431-M443 HydrophobicContact CE-CG 3.81Å; M431-M443 HydrophobicContact SD-CG 4.42Å; I438-M443 HydrophobicContact CG2-CE 3.77Å; I438-M443 HydrophobicContact CG2-CG 4.35Å; H440-M443 PolarHBondContact O-N 3.48Å; V441-M443 PolarHBondContact O-N 3.21Å; M443-V445 PolarHBondContact O-N 2.89Å; M443-I450 HydrophobicContact SD-CD1 4.35Å
444F98.5Very high96.9Very high3 Ų323.8 Ų23.81%0.01312%0.121CC..SBendtrans-80.758.5171.4-161.9-106.7000111.4T213 F332 F402 W405 F406 P411 Y416 H440 V441T213-F444 HydrophobicContact CG2-CB 3.97Å; T213-F444 HydrophobicContact CG2-CD2 4.19Å; F332-F444 HydrophobicContact CB-CE2 4.49Å; F332-F444 HydrophobicContact CB-CZ 4.17Å; F332-F444 AromaticContact CD1-CE2 3.77Å; F332-F444 HydrophobicContact CD1-CE2 3.77Å; F332-F444 HydrophobicContact CD1-CZ 4.02Å; F332-F444 AromaticContact CD2-CE2 3.58Å; F332-F444 HydrophobicContact CD2-CE2 3.58Å; F332-F444 HydrophobicContact CD2-CZ 4.08Å; F332-F444 HydrophobicContact CE1-CD2 4.24Å; F332-F444 AromaticContact CE1-CE2 3.78Å; F332-F444 HydrophobicContact CE1-CE2 3.78Å; F332-F444 HydrophobicContact CE1-CZ 4.45Å; F332-F444 HydrophobicContact CE2-CD2 4.32Å; F332-F444 AromaticContact CE2-CE2 3.58Å; F332-F444 HydrophobicContact CE2-CE2 3.58Å; F332-F444 AromaticContact CG-CE2 3.68Å; F332-F444 HydrophobicContact CG-CE2 3.68Å; F332-F444 AromaticContact CG-CZ 3.82Å; F332-F444 HydrophobicContact CG-CZ 3.82Å; F332-F444 HydrophobicContact CZ-CD2 4.11Å; F332-F444 AromaticContact CZ-CE2 3.7Å; F332-F444 HydrophobicContact CZ-CE2 3.7Å; F402-F444 HydrophobicContact CE2-CD2 4.38Å; F402-F444 HydrophobicContact CE2-CE2 4.05Å; F402-F444 AromaticContact CZ-CD2 3.76Å; F402-F444 HydrophobicContact CZ-CD2 3.76Å; F402-F444 AromaticContact CZ-CE2 3.89Å; F402-F444 HydrophobicContact CZ-CE2 3.89Å; W405-F444 HydrophobicContact CH2-CZ 4.49Å; W405-F444 HydrophobicContact CZ3-CE2 4.39Å; W405-F444 HydrophobicContact CZ3-CZ 4.23Å; F406-F444 HydrophobicContact CD2-CE2 4.48Å; F406-F444 HydrophobicContact CE2-CD1 4Å; F406-F444 HydrophobicContact CE2-CD2 4.28Å; F406-F444 HydrophobicContact CE2-CE1 4.04Å; F406-F444 HydrophobicContact CE2-CE2 4.28Å; F406-F444 HydrophobicContact CE2-CG 4.14Å; F406-F444 HydrophobicContact CE2-CZ 4.18Å; F406-F444 WeakPolarHBondContact CE2-O 3.37Å; P411-F444 HydrophobicContact CB-CE1 3.79Å; P411-F444 HydrophobicContact CB-CZ 3.84Å; P411-F444 HydrophobicContact CG-CE1 3.76Å; P411-F444 HydrophobicContact CG-CZ 3.69Å; Y416-F444 HydrophobicContact CD2-CB 3.96Å; Y416-F444 HydrophobicContact CD2-CD1 4.41Å; Y416-F444 AromaticContact CD2-CD2 3.64Å; Y416-F444 HydrophobicContact CD2-CD2 3.64Å; Y416-F444 HydrophobicContact CD2-CE2 4.23Å; Y416-F444 AromaticContact CD2-CG 3.74Å; Y416-F444 HydrophobicContact CD2-CG 3.74Å; Y416-F444 HydrophobicContact CE2-CD2 4.46Å; Y416-F444 HydrophobicContact CG-CG 4.32Å; H440-F444 PolarHBondContact O-N 3.47Å; V441-F444 PolarHBondContact O-N 3.32Å
445V98Very high97Very high31 Ų3126.2 Ų26.219%0.18814%0.135CC..SBendtrans-137.2165.2-175.2-62.30000110.8R216 F406 M443 T447 L449 I450R216-V445 PolarHBondContact NH1-O 3.05Å; F406-V445 VanDerWaalsContact CZ-C 3.49Å; F406-V445 VanDerWaalsContact CZ-CA 3.48Å; M443-V445 PolarHBondContact O-N 2.89Å; V445-T447 PolarHBondContact O-N 3.13Å; V445-L449 HydrophobicContact CB-CD1 4.38Å; V445-I450 HydrophobicContact CG2-CD1 4Å; V445-I450 HydrophobicContact CG2-CG1 4.24Å; V445-I450 HydrophobicContact CG2-CG2 3.78Å
446N98.1Very high97.2Very high45 Ų4528.3 Ų28.324%0.24115%0.146CC..  trans-63.9129.1166.9-173.5-50.6000109.3Q403 F406 K448 L449Q403-N446 VanDerWaalsContact NE2-CG 3.34Å; Q403-N446 PolarHBondContact NE2-OD1 2.03Å; F406-N446 HydrophobicContact CD1-CB 4.24Å; F406-N446 HydrophobicContact CE1-CB 4.15Å; F406-N446 VanDerWaalsContact CE1-N 3.31Å; N446-K448 PolarHBondContact O-N 2.8Å; N446-K448 PolarHBondContact OD1-N 3.43Å; N446-K448 VanDerWaalsContact OD1-N 3.1Å; N446-L449 WeakPolarHBondContact O-CB 3.23Å; N446-L449 PolarHBondContact O-N 3.24Å
447T98.4Very high97.5Very high0 Ų028.8 Ų28.80%015%0.147CC..G310 helixtrans-57.3-25.8-174.3620000114.2Q403 V445 L449 I450 G451 Y452Q403-T447 HydrophobicContact CB-CG2 4.08Å; Q403-T447 VanDerWaalsContact CD-OG1 3.31Å; Q403-T447 HydrophobicContact CG-CG2 4.02Å; V445-T447 PolarHBondContact O-N 3.13Å; T447-L449 PolarHBondContact O-N 2.93Å; T447-I450 CarbonylContact O-C 3.6Å; T447-I450 VanDerWaalsContact O-C 3.3Å; T447-I450 WeakPolarHBondContact O-CG1 3.41Å; T447-I450 PolarHBondContact O-N 2.58Å; T447-G451 PolarHBondContact O-N 3.11Å; T447-G451 VanDerWaalsContact O-N 3.13Å; T447-Y452 CarbonylContact C-O 3.37Å; T447-Y452 WeakPolarHBondContact CB-O 3.4Å; T447-Y452 HydrophobicContact CG2-CD2 4.38Å; T447-Y452 HydrophobicContact CG2-CE1 3.97Å; T447-Y452 HydrophobicContact CG2-CE2 3.55Å; T447-Y452 VanDerWaalsContact CG2-OH 3.24Å; T447-Y452 WeakPolarHBondContact CG2-OH 3.39Å; T447-Y452 PolarHBondContact O-N 3.02Å; T447-Y452 PolarHBondContact OG1-O 3.3Å
448K97.2Very high97.6Very high102 Ų10230.3 Ų30.344%0.44315%0.154SC..G310 helixtrans-61.2-28.4174.7-67.7-165.8167.9-167.50113.2R116 E118 N446 I450 G451 Y452R116-K448 PolarHBondContact NH2-O 2.95Å; E118-K448 WeakPolarHBondContact OE2-CG 3.18Å; N446-K448 PolarHBondContact O-N 2.8Å; N446-K448 PolarHBondContact OD1-N 3.43Å; N446-K448 VanDerWaalsContact OD1-N 3.1Å; K448-I450 VanDerWaalsContact C-N 3.26Å; K448-I450 PolarHBondContact O-N 2.81Å; K448-G451 PolarHBondContact O-N 2.89Å; K448-Y452 PolarHBondContact N-O 3.11Å
449L96.7Very high97.7Very high106 Ų10630.3 Ų30.356%0.55515%0.154SC*.G310 helixtrans-71.5-23.6175.6-64.7178.2000112.6V445 N446 T447V445-L449 HydrophobicContact CB-CD1 4.38Å; N446-L449 WeakPolarHBondContact O-CB 3.23Å; N446-L449 PolarHBondContact O-N 3.24Å; T447-L449 PolarHBondContact O-N 2.93Å
450I97.5Very high97.5Very high5 Ų529.3 Ų29.33%0.02615%0.154CC..G310 helixtrans-110.424.317755.7178.8000111.5Y106 R216 L220 M443 V445 T447 K448 Y452Y106-I450 CarbonylContact C-O 3.22Å; Y106-I450 VanDerWaalsContact CB-O 3.25Å; Y106-I450 WeakPolarHBondContact CB-O 3.35Å; Y106-I450 CarbonylContact O-C 3.59Å; R216-I450 HydrophobicContact CG-CD1 4.37Å; L220-I450 HydrophobicContact CD1-CD1 3.93Å; L220-I450 HydrophobicContact CD1-CG1 4.48Å; M443-I450 HydrophobicContact SD-CD1 4.35Å; V445-I450 HydrophobicContact CG2-CD1 4Å; V445-I450 HydrophobicContact CG2-CG1 4.24Å; V445-I450 HydrophobicContact CG2-CG2 3.78Å; T447-I450 CarbonylContact O-C 3.6Å; T447-I450 VanDerWaalsContact O-C 3.3Å; T447-I450 WeakPolarHBondContact O-CG1 3.41Å; T447-I450 PolarHBondContact O-N 2.58Å; K448-I450 VanDerWaalsContact C-N 3.26Å; K448-I450 PolarHBondContact O-N 2.81Å; I450-Y452 HydrophobicContact CD1-CE1 3.72Å; I450-Y452 HydrophobicContact CG1-CD1 4.17Å; I450-Y452 HydrophobicContact CG1-CE1 3.73Å
451G97.9Very high96.8Very high3 Ų335.8 Ų35.83%0.03118%0.182CC..THydrogen-bonded Turntrans86.812.1161.800000117.5E118 Y119 T447 K448E118-G451 CarbonylContact C-O 3.57Å; E118-G451 WeakPolarHBondContact CA-O 3.33Å; Y119-G451 WeakPolarHBondContact CD2-O 3.19Å; Y119-G451 PolarHBondContact N-O 2.97Å; T447-G451 PolarHBondContact O-N 3.11Å; T447-G451 VanDerWaalsContact O-N 3.13Å; K448-G451 PolarHBondContact O-N 2.89Å
452Y98.6Very high96.1Very high1 Ų142.3 Ų42.30%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-146.6158.7175.372.6-79.3000114.2Y119 R121 L220 D399 T447 K448 I450 Y454Y119-Y452 CarbonylContact O-C 3.56Å; Y119-Y452 WeakPolarHBondContact O-CA 3.43Å; Y119-Y452 WeakPolarHBondContact O-CB 3.14Å; R121-Y452 HydrophobicContact CG-CD2 4.42Å; R121-Y452 VanDerWaalsContact NH1-CE2 3.33Å; L220-Y452 HydrophobicContact CD1-CE1 4.03Å; L220-Y452 HydrophobicContact CD2-CD1 3.74Å; L220-Y452 HydrophobicContact CD2-CE1 3.65Å; L220-Y452 HydrophobicContact CG-CE1 4.01Å; D399-Y452 VanDerWaalsContact OD2-CE2 3.3Å; D399-Y452 WeakPolarHBondContact OD2-CE2 3.35Å; D399-Y452 VanDerWaalsContact OD2-CZ 3.31Å; D399-Y452 PolarHBondContact OD2-OH 2.8Å; T447-Y452 CarbonylContact C-O 3.37Å; T447-Y452 WeakPolarHBondContact CB-O 3.4Å; T447-Y452 HydrophobicContact CG2-CD2 4.38Å; T447-Y452 HydrophobicContact CG2-CE1 3.97Å; T447-Y452 HydrophobicContact CG2-CE2 3.55Å; T447-Y452 VanDerWaalsContact CG2-OH 3.24Å; T447-Y452 WeakPolarHBondContact CG2-OH 3.39Å; T447-Y452 PolarHBondContact O-N 3.02Å; T447-Y452 PolarHBondContact OG1-O 3.3Å; K448-Y452 PolarHBondContact N-O 3.11Å; I450-Y452 HydrophobicContact CD1-CE1 3.72Å; I450-Y452 HydrophobicContact CG1-CD1 4.17Å; I450-Y452 HydrophobicContact CG1-CE1 3.73Å; Y452-Y454 HydrophobicContact CD2-CE2 4.43Å; Y452-Y454 HydrophobicContact CE2-CE2 4.01Å
453T98.4Very high95.6Very high15 Ų1540.5 Ų40.59%0.09220%0.204CC..EExtended strand (participates in β ladder)trans-141.2-176171.1-160.40000110.2E118 Y119 I120 R121E118-T453 HydrophobicContact CG-CG2 4.39Å; E118-T453 WeakPolarHBondContact OE1-CG2 3.36Å; Y119-T453 PolarHBondContact O-N 2.63Å; I120-T453 HydrophobicContact CG1-CG2 4.08Å; R121-T453 PolarHBondContact N-O 3.3Å
454Y98.6Very high95.5Very high8 Ų840.5 Ų40.53%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-111.2146.1176.8-67.3-88.1000109.4R121 Y243 T396 D399 R400 Q403 Y452 N456 F457R121-Y454 HydrophobicContact CB-CD1 3.72Å; R121-Y454 HydrophobicContact CB-CE1 3.79Å; R121-Y454 HydrophobicContact CG-CE1 4.5Å; R121-Y454 WeakPolarHBondContact O-CA 3.31Å; Y243-Y454 AromaticContact CD1-CD1 3.77Å; Y243-Y454 HydrophobicContact CD1-CD1 3.77Å; Y243-Y454 HydrophobicContact CD1-CE1 4.12Å; Y243-Y454 HydrophobicContact CE1-CD1 4.02Å; T396-Y454 HydrophobicContact CG2-CE1 3.97Å; T396-Y454 WeakPolarHBondContact O-CE1 3.37Å; T396-Y454 PolarHBondContact O-OH 3.04Å; D399-Y454 WeakPolarHBondContact CB-OH 3.47Å; D399-Y454 PolarHBondContact OD2-OH 3.12Å; R400-Y454 VanDerWaalsContact CA-CZ 3.48Å; R400-Y454 HydrophobicContact CB-CD1 3.85Å; R400-Y454 HydrophobicContact CB-CD2 4.25Å; R400-Y454 HydrophobicContact CB-CE1 3.49Å; R400-Y454 VanDerWaalsContact CB-CE1 3.49Å; R400-Y454 HydrophobicContact CB-CE2 3.96Å; R400-Y454 HydrophobicContact CB-CG 4.19Å; R400-Y454 HydrophobicContact CG-CD1 3.57Å; R400-Y454 HydrophobicContact CG-CD2 3.95Å; R400-Y454 HydrophobicContact CG-CE1 3.79Å; R400-Y454 HydrophobicContact CG-CE2 4.18Å; R400-Y454 HydrophobicContact CG-CG 3.63Å; R400-Y454 PolarHBondContact N-OH 3.31Å; R400-Y454 VanDerWaalsContact N-OH 3.13Å; Q403-Y454 HydrophobicContact CB-CE2 4.22Å; Q403-Y454 HydrophobicContact CG-CD2 4.46Å; Y452-Y454 HydrophobicContact CD2-CE2 4.43Å; Y452-Y454 HydrophobicContact CE2-CE2 4.01Å; Y454-N456 PolarHBondContact O-N 2.94Å; Y454-F457 AromaticContact CD2-CE1 3.92Å; Y454-F457 HydrophobicContact CD2-CE1 3.92Å; Y454-F457 HydrophobicContact CD2-CZ 4Å; Y454-F457 HydrophobicContact CG-CE1 4.35Å
455D97.7Very high95.4Very high54 Ų5444.7 Ų44.729%0.28922%0.222SC..SBendtrans-55.5-34.2178.367.2-34.6000112.7I120 R121 Y122 Y243I120-D455 HydrophobicContact CG2-CB 3.84Å; R121-D455 PolarHBondContact O-N 2.98Å; Y122-D455 HydrophobicContact CD1-CB 3.37Å; Y122-D455 HydrophobicContact CE1-CB 3.56Å; Y122-D455 HydrophobicContact CG-CB 4.09Å; Y243-D455 WeakPolarHBondContact CE1-OD1 3.46Å; Y243-D455 PolarHBondContact OH-OD1 2.99Å
456N96.9Very high95.2Very high50 Ų5043.2 Ų43.227%0.26721%0.213SC..  trans-158.8175.1169.662.983.6000110.9R400 Y454 N458R400-N456 VanDerWaalsContact CZ-O 3.26Å; R400-N456 PolarHBondContact NE-O 2.66Å; R400-N456 VanDerWaalsContact NH2-C 3.32Å; R400-N456 PolarHBondContact NH2-O 3.18Å; R400-N456 PolarHBondContact NH2-OD1 2.03Å; Y454-N456 PolarHBondContact O-N 2.94Å; N456-N458 VanDerWaalsContact OD1-CB 3.32Å; N456-N458 WeakPolarHBondContact OD1-CB 3.48Å; N456-N458 PolarHBondContact OD1-N 2.97Å
457F97.2Very high95Very high23 Ų2348.1 Ų48.110%0.10123%0.234CC..  trans-116.635.1169.9-67.1-77.7000112R400 Q403 L404 M407 Y454 F459 G466R400-F457 HydrophobicContact CG-CD1 4.05Å; R400-F457 HydrophobicContact CG-CE1 4.06Å; R400-F457 VanDerWaalsContact NH2-CA 3.33Å; Q403-F457 HydrophobicContact CB-CE1 4.12Å; Q403-F457 HydrophobicContact CB-CZ 4.37Å; Q403-F457 HydrophobicContact CG-CE1 3.86Å; Q403-F457 HydrophobicContact CG-CZ 3.61Å; L404-F457 HydrophobicContact CB-CD1 3.81Å; L404-F457 HydrophobicContact CB-CE1 4.26Å; L404-F457 HydrophobicContact CB-CG 4.45Å; L404-F457 HydrophobicContact CD1-CB 3.97Å; L404-F457 HydrophobicContact CD1-CD1 4.28Å; L404-F457 HydrophobicContact CD1-CG 4.08Å; L404-F457 HydrophobicContact CD2-CB 4.49Å; M407-F457 HydrophobicContact CE-CE2 4.03Å; M407-F457 HydrophobicContact SD-CD2 4.35Å; M407-F457 HydrophobicContact SD-CE2 3.54Å; M407-F457 VanDerWaalsContact SD-CE2 3.54Å; M407-F457 HydrophobicContact SD-CZ 3.64Å; Y454-F457 AromaticContact CD2-CE1 3.92Å; Y454-F457 HydrophobicContact CD2-CE1 3.92Å; Y454-F457 HydrophobicContact CD2-CZ 4Å; Y454-F457 HydrophobicContact CG-CE1 4.35Å; F457-F459 HydrophobicContact CB-CE2 4.14Å; F457-F459 HydrophobicContact CD1-CE2 4.5Å; F457-F459 WeakPolarHBondContact O-CD2 3.27Å; F457-F459 VanDerWaalsContact O-CE2 3.23Å; F457-F459 WeakPolarHBondContact O-CE2 3.49Å; F457-G466 WeakPolarHBondContact O-CA 3.41Å; F457-G466 PolarHBondContact O-N 3Å
458N97Very high94.9Very high53 Ų5354 Ų5428%0.28326%0.26SS..EExtended strand (participates in β ladder)trans-86137.9171.5-57.9-35.1000110.5R400 N456 F464 K465R400-N458 VanDerWaalsContact CZ-O 3.31Å; R400-N458 PolarHBondContact NH1-O 3.28Å; R400-N458 PolarHBondContact NH2-O 3.03Å; N456-N458 VanDerWaalsContact OD1-CB 3.32Å; N456-N458 WeakPolarHBondContact OD1-CB 3.48Å; N456-N458 PolarHBondContact OD1-N 2.97Å; N458-F464 CarbonylContact C-O 3.53Å; N458-F464 WeakPolarHBondContact CA-O 3.4Å; N458-F464 WeakPolarHBondContact CB-O 3.23Å; N458-K465 WeakPolarHBondContact OD1-CA 3.4Å; N458-K465 WeakPolarHBondContact OD1-CD 3.27Å
459F96.5Very high94.8Very high1 Ų149.2 Ų49.20%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-128.8141.1-175.1-65.8-96.8000111.4D245 V247 L323 Q397 R400 I401 L404 F457 F464D245-F459 WeakPolarHBondContact OD2-CA 3.16Å; V247-F459 HydrophobicContact CG2-CB 4.38Å; V247-F459 HydrophobicContact CG2-CD1 4.25Å; L323-F459 HydrophobicContact CD2-CB 3.37Å; L323-F459 HydrophobicContact CD2-CD1 3.94Å; L323-F459 HydrophobicContact CD2-CD2 4Å; L323-F459 HydrophobicContact CD2-CG 3.51Å; Q397-F459 VanDerWaalsContact NE2-CD1 3.29Å; R400-F459 HydrophobicContact CG-CE1 4.31Å; R400-F459 HydrophobicContact CG-CZ 3.96Å; R400-F459 VanDerWaalsContact NH1-CD1 3.26Å; I401-F459 HydrophobicContact CD1-CE1 4.34Å; I401-F459 HydrophobicContact CG1-CD1 4.29Å; I401-F459 HydrophobicContact CG1-CE1 3.46Å; I401-F459 VanDerWaalsContact CG1-CE1 3.46Å; I401-F459 HydrophobicContact CG1-CZ 3.94Å; L404-F459 HydrophobicContact CD2-CD2 4.35Å; L404-F459 HydrophobicContact CD2-CE2 3.63Å; L404-F459 HydrophobicContact CD2-CZ 4.38Å; F457-F459 HydrophobicContact CB-CE2 4.14Å; F457-F459 HydrophobicContact CD1-CE2 4.5Å; F457-F459 WeakPolarHBondContact O-CD2 3.27Å; F457-F459 VanDerWaalsContact O-CE2 3.23Å; F457-F459 WeakPolarHBondContact O-CE2 3.49Å; F459-F464 HydrophobicContact CB-CB 4.1Å; F459-F464 HydrophobicContact CB-CD1 3.98Å; F459-F464 HydrophobicContact CB-CG 4.24Å; F459-F464 AromaticContact CD2-CD1 3.55Å; F459-F464 HydrophobicContact CD2-CD1 3.55Å; F459-F464 AromaticContact CD2-CE1 3.63Å; F459-F464 HydrophobicContact CD2-CE1 3.63Å; F459-F464 HydrophobicContact CE2-CE1 4.2Å; F459-F464 HydrophobicContact CG-CD1 4.22Å; F459-F464 PolarHBondContact N-O 3.38Å; F459-F464 VanDerWaalsContact O-CB 3.27Å; F459-F464 WeakPolarHBondContact O-CB 3.27Å; F459-F464 PolarHBondContact O-N 3.04Å; F459-F464 VanDerWaalsContact O-N 3.14Å
460G92.4Very high94.8Very high16 Ų1646.8 Ų46.817%0.16523%0.226CC..THydrogen-bonded Turntrans64.5171.2168.500000116D245 V247 R462 G463D245-G460 PolarHBondContact OD1-N 2.92Å; D245-G460 PolarHBondContact OD2-N 2.85Å; V247-G460 WeakPolarHBondContact O-CA 3.12Å; G460-R462 VanDerWaalsContact C-N 3.27Å; G460-R462 PolarHBondContact O-N 2.86Å; G460-G463 PolarHBondContact O-N 3.29Å
461K84.1Confident94.6Very high137 Ų13755 Ų5560%0.59626%0.262SS*.THydrogen-bonded Turntrans-76.4-16.1-176.8-65.4175.5-174.3170.40112.7D248 D253 G463D248-K461 HydrophobicContact CB-CB 4.34Å; D253-K461 IonicContact OD2-NZ 3.7Å; D253-K461 PolarHBondContact OD2-NZ 3Å; K461-G463 PolarHBondContact O-N 3.12Å
462R82.8Confident94.3Very high167 Ų16758.2 Ų58.263%0.6328%0.283SS*.THydrogen-bonded Turntrans-78.7-5.7173.9-66.2179.9-179-165.42113.7D248 G460 V478D248-R462 IonicContact OD1-NE 2.87Å; D248-R462 WeakPolarHBondContact OD2-CG 3.38Å; D248-R462 PolarHBondContact OD2-N 3.48Å; G460-R462 VanDerWaalsContact C-N 3.27Å; G460-R462 PolarHBondContact O-N 2.86Å; R462-V478 HydrophobicContact CB-CG1 4.09Å; R462-V478 VanDerWaalsContact O-CG1 3.24Å; R462-V478 WeakPolarHBondContact O-CG1 3.32Å
463G87Confident93.9Very high31 Ų3158.1 Ų58.132%0.3228%0.283SS..THydrogen-bonded Turntrans81.433170.800000114.6G460 K461 K465G460-G463 PolarHBondContact O-N 3.29Å; K461-G463 PolarHBondContact O-N 3.12Å; G463-K465 WeakPolarHBondContact O-CG 3.15Å; G463-K465 PolarHBondContact O-N 3.4Å
464F95.4Very high93.4Very high0 Ų060.4 Ų60.40%030%0.298CS..EExtended strand (participates in β ladder)trans-51.7128.5169.3174.9-76000109.4T320 L323 L324 L327 L404 N458 F459 Y469 Y476 V478T320-F464 HydrophobicContact CG2-CB 4.45Å; L323-F464 HydrophobicContact CD2-CD1 4.45Å; L323-F464 HydrophobicContact CD2-CD2 4.22Å; L323-F464 HydrophobicContact CD2-CE2 4.39Å; L323-F464 HydrophobicContact CD2-CG 4.27Å; L324-F464 HydrophobicContact CD2-CD2 4Å; L324-F464 HydrophobicContact CD2-CE2 3.64Å; L324-F464 HydrophobicContact CG-CD2 4.34Å; L324-F464 HydrophobicContact CG-CE2 4.32Å; L327-F464 HydrophobicContact CD1-CE1 4.49Å; L327-F464 HydrophobicContact CD1-CE2 3.98Å; L327-F464 HydrophobicContact CD1-CZ 3.58Å; L404-F464 HydrophobicContact CD2-CE1 3.72Å; L404-F464 HydrophobicContact CD2-CZ 3.85Å; N458-F464 CarbonylContact C-O 3.53Å; N458-F464 WeakPolarHBondContact CA-O 3.4Å; N458-F464 WeakPolarHBondContact CB-O 3.23Å; F459-F464 HydrophobicContact CB-CB 4.1Å; F459-F464 HydrophobicContact CB-CD1 3.98Å; F459-F464 HydrophobicContact CB-CG 4.24Å; F459-F464 AromaticContact CD2-CD1 3.55Å; F459-F464 HydrophobicContact CD2-CD1 3.55Å; F459-F464 AromaticContact CD2-CE1 3.63Å; F459-F464 HydrophobicContact CD2-CE1 3.63Å; F459-F464 HydrophobicContact CE2-CE1 4.2Å; F459-F464 HydrophobicContact CG-CD1 4.22Å; F459-F464 PolarHBondContact N-O 3.38Å; F459-F464 VanDerWaalsContact O-CB 3.27Å; F459-F464 WeakPolarHBondContact O-CB 3.27Å; F459-F464 PolarHBondContact O-N 3.04Å; F459-F464 VanDerWaalsContact O-N 3.14Å; F464-Y469 HydrophobicContact CE2-CD2 4.34Å; F464-Y469 HydrophobicContact CE2-CG 4.47Å; F464-Y469 HydrophobicContact CZ-CD2 4.04Å; F464-Y469 AromaticContact CZ-CG 3.77Å; F464-Y469 HydrophobicContact CZ-CG 3.77Å; F464-Y476 HydrophobicContact CD1-CE1 4.44Å; F464-Y476 HydrophobicContact CD2-CD1 4.06Å; F464-Y476 AromaticContact CD2-CE1 3.57Å; F464-Y476 HydrophobicContact CD2-CE1 3.57Å; F464-Y476 AromaticContact CE2-CD1 3.71Å; F464-Y476 HydrophobicContact CE2-CD1 3.71Å; F464-Y476 AromaticContact CE2-CE1 3.65Å; F464-Y476 HydrophobicContact CE2-CE1 3.65Å; F464-Y476 AromaticContact CG-CE1 3.98Å; F464-Y476 HydrophobicContact CG-CE1 3.98Å; F464-Y476 HydrophobicContact CZ-CD1 4.2Å; F464-Y476 HydrophobicContact CZ-CE1 4.15Å; F464-V478 HydrophobicContact CB-CG2 3.79Å; F464-V478 HydrophobicContact CD2-CG2 3.66Å; F464-V478 HydrophobicContact CG-CG2 4.12Å
465K96.1Very high92.8Very high91 Ų9169 Ų6940%0.39634%0.335SS..EExtended strand (participates in β ladder)trans-110.2108.8179.9-59.8-57.8-1771760110.9N458 G463 E467 K468 Y469 Y476N458-K465 WeakPolarHBondContact OD1-CA 3.4Å; N458-K465 WeakPolarHBondContact OD1-CD 3.27Å; G463-K465 WeakPolarHBondContact O-CG 3.15Å; G463-K465 PolarHBondContact O-N 3.4Å; K465-E467 VanDerWaalsContact C-N 3.26Å; K465-E467 PolarHBondContact O-N 2.82Å; K465-K468 HydrophobicContact CB-CB 4.15Å; K465-K468 HydrophobicContact CB-CD 4.1Å; K465-K468 HydrophobicContact CB-CG 3.94Å; K465-K468 HydrophobicContact CG-CD 4.4Å; K465-K468 WeakPolarHBondContact O-CB 3.3Å; K465-K468 PolarHBondContact O-N 2.85Å; K465-Y469 PolarHBondContact O-N 3.34Å; K465-Y476 PolarHBondContact N-OH 3.34Å
466G95.3Very high92.2Very high0 Ų067.3 Ų67.30%033%0.325CS..Hα-helixtrans-59.4-33.6-179.100000113.9F457 K468 Y469 L470F457-G466 WeakPolarHBondContact O-CA 3.41Å; F457-G466 PolarHBondContact O-N 3Å; G466-K468 VanDerWaalsContact C-N 3.31Å; G466-K468 PolarHBondContact O-N 3.45Å; G466-Y469 WeakPolarHBondContact O-CB 3.47Å; G466-Y469 PolarHBondContact O-N 2.88Å; G466-L470 WeakPolarHBondContact O-CB 3.14Å; G466-L470 VanDerWaalsContact O-CG 3.28Å; G466-L470 WeakPolarHBondContact O-CG 3.22Å; G466-L470 PolarHBondContact O-N 3.12Å
467E94Very high91.5Very high147 Ų14775.5 Ų75.569%0.68735%0.352SS*.Hα-helixtrans-64-35.9174.4-66.3-179.1-179.600112.9K465 K471K465-E467 VanDerWaalsContact C-N 3.26Å; K465-E467 PolarHBondContact O-N 2.82Å; E467-K471 WeakPolarHBondContact O-CG 3.32Å; E467-K471 PolarHBondContact O-N 3.19Å
468K94.9Very high90.7Very high124 Ų12479 Ų7954%0.53938%0.375SS..Hα-helixtrans-70.6-41.7174.1-66.4-172.2178.4-176.60110.4K465 G466 L470 K471 C472 Y476K465-K468 HydrophobicContact CB-CB 4.15Å; K465-K468 HydrophobicContact CB-CD 4.1Å; K465-K468 HydrophobicContact CB-CG 3.94Å; K465-K468 HydrophobicContact CG-CD 4.4Å; K465-K468 WeakPolarHBondContact O-CB 3.3Å; K465-K468 PolarHBondContact O-N 2.85Å; G466-K468 VanDerWaalsContact C-N 3.31Å; G466-K468 PolarHBondContact O-N 3.45Å; K468-L470 PolarHBondContact O-N 3.1Å; K468-K471 PolarHBondContact O-N 3.3Å; K468-C472 WeakPolarHBondContact O-CB 3.37Å; K468-C472 PolarHBondContact O-N 3.13Å; K468-Y476 HydrophobicContact CB-CD2 3.87Å; K468-Y476 HydrophobicContact CB-CE2 3.58Å; K468-Y476 HydrophobicContact CD-CE2 3.88Å; K468-Y476 HydrophobicContact CG-CE2 4.39Å
469Y95.8Very high90.4Very high1 Ų180.3 Ų80.30%0.00438%0.38CS..Hα-helixtrans-58.8-45.1172.9176.6-96.2000112.1L327 L404 Y408 F464 K465 G466 K471 C472 G473 Y476L327-Y469 HydrophobicContact CB-CE2 3.82Å; L327-Y469 HydrophobicContact CD1-CD2 4.37Å; L327-Y469 HydrophobicContact CD1-CE1 4.43Å; L327-Y469 HydrophobicContact CD1-CE2 4.22Å; L327-Y469 HydrophobicContact CD2-CE1 4.43Å; L327-Y469 PolarHBondContact O-OH 3.08Å; L404-Y469 HydrophobicContact CD1-CD1 3.82Å; L404-Y469 HydrophobicContact CD1-CE1 4.39Å; L404-Y469 HydrophobicContact CD2-CD1 3.91Å; L404-Y469 HydrophobicContact CD2-CE1 4.39Å; L404-Y469 HydrophobicContact CD2-CG 4.46Å; L404-Y469 HydrophobicContact CG-CD1 3.8Å; L404-Y469 HydrophobicContact CG-CE1 4.05Å; Y408-Y469 HydrophobicContact CD1-CE1 4.32Å; Y408-Y469 HydrophobicContact CD2-CE1 4.34Å; Y408-Y469 AromaticContact CG-CE1 3.82Å; Y408-Y469 HydrophobicContact CG-CE1 3.82Å; F464-Y469 HydrophobicContact CE2-CD2 4.34Å; F464-Y469 HydrophobicContact CE2-CG 4.47Å; F464-Y469 HydrophobicContact CZ-CD2 4.04Å; F464-Y469 AromaticContact CZ-CG 3.77Å; F464-Y469 HydrophobicContact CZ-CG 3.77Å; K465-Y469 PolarHBondContact O-N 3.34Å; G466-Y469 WeakPolarHBondContact O-CB 3.47Å; G466-Y469 PolarHBondContact O-N 2.88Å; Y469-K471 PolarHBondContact O-N 3.08Å; Y469-C472 PolarHBondContact O-N 3.44Å; Y469-G473 WeakPolarHBondContact CD2-O 3.36Å; Y469-G473 VanDerWaalsContact O-CA 3.25Å; Y469-G473 WeakPolarHBondContact O-CA 3.46Å; Y469-G473 PolarHBondContact O-N 2.83Å; Y469-Y476 HydrophobicContact CD2-CD1 4.26Å
470L95.9Very high90.1Very high55 Ų5584.5 Ų84.529%0.28840%0.4SS..Hα-helixtrans-62.8-26.2178.9-73.5167000113.1L404 M407 G466 K468L404-L470 HydrophobicContact CD1-CD1 4.15Å; L404-L470 HydrophobicContact CD1-CD2 3.91Å; L404-L470 HydrophobicContact CD1-CG 3.79Å; M407-L470 HydrophobicContact CB-CD2 3.66Å; M407-L470 HydrophobicContact CE-CD1 3.69Å; M407-L470 HydrophobicContact CE-CD2 4.33Å; G466-L470 WeakPolarHBondContact O-CB 3.14Å; G466-L470 VanDerWaalsContact O-CG 3.28Å; G466-L470 WeakPolarHBondContact O-CG 3.22Å; G466-L470 PolarHBondContact O-N 3.12Å; K468-L470 PolarHBondContact O-N 3.1Å
471K94.1Very high90Very high177 Ų17788.3 Ų88.377%0.7741%0.413SS*.Hα-helixtrans-85.3-41.6175.7-70175.7-177.2-179.50112.9E467 K468 Y469E467-K471 WeakPolarHBondContact O-CG 3.32Å; E467-K471 PolarHBondContact O-N 3.19Å; K468-K471 PolarHBondContact O-N 3.3Å; Y469-K471 PolarHBondContact O-N 3.08Å
472C92.3Very high90.3Very high71 Ų7185.4 Ų85.448%0.4840%0.402SS..Hα-helixtrans-103.4-15.9-169.9-59.90000114.3K468 Y469K468-C472 WeakPolarHBondContact O-CB 3.37Å; K468-C472 PolarHBondContact O-N 3.13Å; Y469-C472 PolarHBondContact O-N 3.44Å
473G90.3Very high90.8Very high0 Ų080.3 Ų80.30%039%0.388CS..G310 helixtrans64.1-149.1-177.100000114.8Y408 Y469 K475 Y476Y408-G473 WeakPolarHBondContact OH-CA 3.02Å; Y469-G473 WeakPolarHBondContact CD2-O 3.36Å; Y469-G473 VanDerWaalsContact O-CA 3.25Å; Y469-G473 WeakPolarHBondContact O-CA 3.46Å; Y469-G473 PolarHBondContact O-N 2.83Å; G473-K475 PolarHBondContact O-N 2.79Å; G473-Y476 WeakPolarHBondContact O-CB 3.29Å; G473-Y476 PolarHBondContact O-N 3.19Å
474P87Confident91.1Very high63 Ų6383.6 Ų83.641%0.40939%0.392SS..G310 helixtrans-57.5-15.2176.5-27.235.4000114.8Y408 Y476Y408-P474 HydrophobicContact CE1-CG 4.31Å; Y408-P474 WeakPolarHBondContact OH-CD 3.12Å; P474-Y476 PolarHBondContact O-N 2.8Å
475K86Confident90.8Very high188 Ų18889.6 Ų89.682%0.81742%0.42SS*.G310 helixtrans-76.2-11.5172.9-62.2-177.8-179.7178.30112.8G473 R477G473-K475 PolarHBondContact O-N 2.79Å; K475-R477 PolarHBondContact O-N 3.05Å
476Y85.7Confident90.3Very high19 Ų1989.5 Ų89.58%0.07542%0.422CS..  trans-62.1129.2176.3178-130.6000110.9L324 F464 K465 K468 Y469 G473 P474 V478L324-Y476 HydrophobicContact CD2-CD1 4.29Å; F464-Y476 HydrophobicContact CD1-CE1 4.44Å; F464-Y476 HydrophobicContact CD2-CD1 4.06Å; F464-Y476 AromaticContact CD2-CE1 3.57Å; F464-Y476 HydrophobicContact CD2-CE1 3.57Å; F464-Y476 AromaticContact CE2-CD1 3.71Å; F464-Y476 HydrophobicContact CE2-CD1 3.71Å; F464-Y476 AromaticContact CE2-CE1 3.65Å; F464-Y476 HydrophobicContact CE2-CE1 3.65Å; F464-Y476 AromaticContact CG-CE1 3.98Å; F464-Y476 HydrophobicContact CG-CE1 3.98Å; F464-Y476 HydrophobicContact CZ-CD1 4.2Å; F464-Y476 HydrophobicContact CZ-CE1 4.15Å; K465-Y476 PolarHBondContact N-OH 3.34Å; K468-Y476 HydrophobicContact CB-CD2 3.87Å; K468-Y476 HydrophobicContact CB-CE2 3.58Å; K468-Y476 HydrophobicContact CD-CE2 3.88Å; K468-Y476 HydrophobicContact CG-CE2 4.39Å; Y469-Y476 HydrophobicContact CD2-CD1 4.26Å; G473-Y476 WeakPolarHBondContact O-CB 3.29Å; G473-Y476 PolarHBondContact O-N 3.19Å; P474-Y476 PolarHBondContact O-N 2.8Å; Y476-V478 HydrophobicContact CE1-CG2 3.85Å
477R81.5Confident89.9Confident221 Ų22196.9 Ų96.983%0.83446%0.458SS*.  trans-118.7140.9171.3-60-170.1-178.7-130.11.4108.6K475K475-R477 PolarHBondContact O-N 3.05Å
478V81.7Confident89.6Confident97 Ų9792.4 Ų92.459%0.58844%0.437SS*.  trans-84.20-180177.50000110.4T320 L324 R462 F464 Y476T320-V478 HydrophobicContact CG2-CB 3.98Å; T320-V478 HydrophobicContact CG2-CG1 4.24Å; T320-V478 HydrophobicContact CG2-CG2 3.63Å; L324-V478 HydrophobicContact CD1-CG2 4.14Å; R462-V478 HydrophobicContact CB-CG1 4.09Å; R462-V478 VanDerWaalsContact O-CG1 3.24Å; R462-V478 WeakPolarHBondContact O-CG1 3.32Å; F464-V478 HydrophobicContact CB-CG2 3.79Å; F464-V478 HydrophobicContact CD2-CG2 3.66Å; F464-V478 HydrophobicContact CG-CG2 4.12Å; Y476-V478 HydrophobicContact CE1-CG2 3.85Å

Retrieved 478 of 478 residues in 376.5 ms (Link to these results)

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