A0A5K4FDF6_SCHMA Loading...

Deoxyribonuclease

AlphaFold DB , UniProt , Accession A0A5K4FDF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 264 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
1M59Low64.8Low224 Ų224157.2 Ų157.2100%1.10379%0.785SS**  0102.60-78.7170.367.300108.8
2H60.6Low64Low193 Ų193155.9 Ų155.989%0.89478%0.782SS**  trans-81119.8169.6-68.9-28.4000108.5T4H2-T4 PolarHBondContact O-N 3.37Å
3R65.8Low62.9Low229 Ų229153.6 Ų153.686%0.86477%0.772SS**  trans-80.8106172.8-72.8-176.7175.9-173-0.6107.6V5R3-V5 PolarHBondContact O-N 3.33Å
4T69.1Low62.2Low129 Ų129151.3 Ų151.379%0.79176%0.761SS**  trans-69.7117.4168.8-44.90000108.1H2H2-T4 PolarHBondContact O-N 3.37Å
5V71.2Confident61.5Low118 Ų118153.5 Ų153.572%0.71576%0.759SS**  trans-87.7112.1172.3178.10000107.3R3 I7R3-V5 PolarHBondContact O-N 3.33Å; V5-I7 HydrophobicContact CG1-CG1 4.02Å; V5-I7 PolarHBondContact O-N 3.46Å
6I70.7Confident61.5Low138 Ų138153.2 Ų153.271%0.70876%0.759SS**  trans-84.6108.5170-62.1176.1000107.1L8I6-L8 HydrophobicContact CG2-CD1 4.16Å; I6-L8 HydrophobicContact CG2-CG 4.23Å; I6-L8 PolarHBondContact O-N 3.43Å
7I67.4Low62.1Low138 Ų138153.5 Ų153.571%0.70876%0.758SS**  trans-86.8100.9168.9-56.6178.1000107.1V5 I9V5-I7 HydrophobicContact CG1-CG1 4.02Å; V5-I7 PolarHBondContact O-N 3.46Å; I7-I9 HydrophobicContact CG2-CG1 3.93Å; I7-I9 PolarHBondContact O-N 3.17Å
8L64.9Low63.6Low154 Ų154149.6 Ų149.681%0.80675%0.747SS**  trans-82.398.6168-96.8144.7000108.4I6 S10I6-L8 HydrophobicContact CG2-CD1 4.16Å; I6-L8 HydrophobicContact CG2-CG 4.23Å; I6-L8 PolarHBondContact O-N 3.43Å; L8-S10 VanDerWaalsContact C-N 3.31Å; L8-S10 PolarHBondContact O-N 2.73Å; L8-S10 VanDerWaalsContact O-N 3.17Å
9I63.4Low65.2Low116 Ų116144.4 Ų144.460%0.59572%0.724SS**  trans-80.988.6163.1-57.1179.1000106.1I7 Y11I7-I9 HydrophobicContact CG2-CG1 3.93Å; I7-I9 PolarHBondContact O-N 3.17Å; I9-Y11 VanDerWaalsContact C-N 3.3Å; I9-Y11 HydrophobicContact CB-CE2 4.47Å; I9-Y11 HydrophobicContact CG2-CD2 4Å; I9-Y11 HydrophobicContact CG2-CE2 3.83Å; I9-Y11 HydrophobicContact CG2-CG 4.44Å; I9-Y11 PolarHBondContact O-N 2.77Å
10S62.9Low66.8Low102 Ų102142.8 Ų142.871%0.71371%0.712SS**  trans-67.298.1162.658.10000106.6L8 L12L8-S10 VanDerWaalsContact C-N 3.31Å; L8-S10 PolarHBondContact O-N 2.73Å; L8-S10 VanDerWaalsContact O-N 3.17Å; S10-L12 VanDerWaalsContact C-N 3.29Å; S10-L12 PolarHBondContact O-N 2.97Å
11Y57.4Low68.3Low188 Ų188138.2 Ų138.274%0.73769%0.69SS**  trans-58.8103.8160.9-73.7-87.9000105.6I9 L13I9-Y11 VanDerWaalsContact C-N 3.3Å; I9-Y11 HydrophobicContact CB-CE2 4.47Å; I9-Y11 HydrophobicContact CG2-CD2 4Å; I9-Y11 HydrophobicContact CG2-CE2 3.83Å; I9-Y11 HydrophobicContact CG2-CG 4.44Å; I9-Y11 PolarHBondContact O-N 2.77Å; Y11-L13 PolarHBondContact O-N 3.36Å
12L55.5Low70.1Confident142 Ų142127.7 Ų127.774%0.74364%0.639SS**  trans-64.192163.5-169.773.3000104.1S10 I14S10-L12 VanDerWaalsContact C-N 3.29Å; S10-L12 PolarHBondContact O-N 2.97Å; L12-I14 HydrophobicContact CB-CG1 4.43Å; L12-I14 HydrophobicContact CD2-CD1 4.01Å; L12-I14 HydrophobicContact CD2-CG1 3.66Å; L12-I14 HydrophobicContact CG-CG1 3.81Å; L12-I14 PolarHBondContact O-N 2.88Å
13L49.9Very low71.9Confident126 Ų126120 Ų12066%0.6661%0.607SS**  trans-63.783.3165.4-75164.4000104.9Y11 Y15Y11-L13 PolarHBondContact O-N 3.36Å; L13-Y15 HydrophobicContact CB-CD2 3.97Å; L13-Y15 HydrophobicContact CB-CE2 3.97Å; L13-Y15 HydrophobicContact CD1-CE2 4.23Å; L13-Y15 PolarHBondContact O-N 2.78Å
14I53Low73.4Confident121 Ų121110.1 Ų110.162%0.62157%0.57SS**  trans-67.686.4163.8-53.9174.1000103.4L12 I16L12-I14 HydrophobicContact CB-CG1 4.43Å; L12-I14 HydrophobicContact CD2-CD1 4.01Å; L12-I14 HydrophobicContact CD2-CG1 3.66Å; L12-I14 HydrophobicContact CG-CG1 3.81Å; L12-I14 PolarHBondContact O-N 2.88Å; I14-I16 HydrophobicContact CG2-CG1 3.78Å; I14-I16 PolarHBondContact O-N 2.75Å
15Y51.9Low74.7Confident185 Ų185104.1 Ų104.173%0.72553%0.533SS*.  trans-61.494.8160.5-85.3-88.3000105.4L13 E17L13-Y15 HydrophobicContact CB-CD2 3.97Å; L13-Y15 HydrophobicContact CB-CE2 3.97Å; L13-Y15 HydrophobicContact CD1-CE2 4.23Å; L13-Y15 PolarHBondContact O-N 2.78Å; Y15-E17 PolarHBondContact O-N 3.39Å
16I61Low75.8Confident148 Ų14898.5 Ų98.576%0.75950%0.499SS*.  trans-7191164.9-58.2172.3000104.5I14 C18I14-I16 HydrophobicContact CG2-CG1 3.78Å; I14-I16 PolarHBondContact O-N 2.75Å; I16-C18 PolarHBondContact O-N 2.96Å
17E72.5Confident76.8Confident158 Ų15894.8 Ų94.874%0.73848%0.479SS*.PPolyproline II helixtrans-61.1128.8171.8-69.2-169.2166.100108.8Y15 V19Y15-E17 PolarHBondContact O-N 3.39Å; E17-V19 PolarHBondContact O-N 3.45Å
18C88.3Confident78Confident84 Ų8491.5 Ų91.557%0.56847%0.465SS*.PPolyproline II helixtrans-71126.8173-63.30000109.3I16I16-C18 PolarHBondContact O-N 2.96Å
19V94Very high79.4Confident51 Ų5184.2 Ų84.231%0.30943%0.427SS..PPolyproline II helixtrans-66.3132.2171.2171.90000110.3E17 I21 D51 F107 M133E17-V19 PolarHBondContact O-N 3.45Å; V19-I21 HydrophobicContact CG1-CG1 4.09Å; V19-D51 WeakPolarHBondContact CA-OD2 3.41Å; V19-D51 HydrophobicContact CG1-CB 4.1Å; V19-F107 HydrophobicContact CG1-CE1 4.12Å; V19-F107 HydrophobicContact CG1-CE2 4.23Å; V19-F107 HydrophobicContact CG1-CZ 3.37Å; V19-M133 HydrophobicContact CB-CE 4.4Å; V19-M133 HydrophobicContact CG1-CE 4.49Å; V19-M133 HydrophobicContact CG2-CE 3.9Å
20K96.7Very high81Confident111 Ų11179 Ų7948%0.48340%0.403SS..PPolyproline II helixtrans-102.4117.2176.5-69.2176.2-177.6172.40111R49 Y50 D51 L52K20-R49 WeakPolarHBondContact CD-O 3.5Å; K20-Y50 HydrophobicContact CB-CD1 4.33Å; K20-D51 PolarHBondContact N-OD2 2.85Å; K20-D51 PolarHBondContact O-N 3.05Å; K20-L52 PolarHBondContact O-N 2.84Å
21I98.1Very high82.6Confident47 Ų4780.3 Ų80.324%0.24139%0.392CS..EExtended strand (participates in β ladder)trans-110.3135.6176.1-60.4174.7000109.1V19 L52 F141 I177 L179V19-I21 HydrophobicContact CG1-CG1 4.09Å; I21-L52 CarbonylContact C-O 3.43Å; I21-L52 VanDerWaalsContact CA-O 3.25Å; I21-L52 WeakPolarHBondContact CA-O 3.49Å; I21-L52 HydrophobicContact CG1-CB 4.35Å; I21-L52 HydrophobicContact CG2-CD2 3.91Å; I21-F141 HydrophobicContact CD1-CE2 4.4Å; I21-F141 HydrophobicContact CD1-CZ 3.83Å; I21-I177 HydrophobicContact CD1-CD1 3.86Å; I21-L179 HydrophobicContact CG2-CD2 3.74Å
22G98Very high84.4Confident4 Ų479.3 Ų79.34%0.04139%0.391CS..EExtended strand (participates in β ladder)trans-137.3160.7-179.400000114.3L52 V53 V54G22-L52 PolarHBondContact N-O 2.82Å; G22-V53 WeakPolarHBondContact O-CA 3.47Å; G22-V54 PolarHBondContact O-N 3Å
23S98.1Very high86.2Confident32 Ų3273.1 Ų73.122%0.22436%0.358CS..EExtended strand (participates in β ladder)trans-123.4146.1163.9-1560000109.1V54 Q56 G180S23-V54 CarbonylContact C-O 3.5Å; S23-V54 WeakPolarHBondContact OG-CG2 3.29Å; S23-Q56 PolarHBondContact OG-NE2 3Å; S23-Q56 VanDerWaalsContact OG-NE2 3.1Å; S23-Q56 PolarHBondContact OG-OE1 3.15Å; S23-G180 VanDerWaalsContact OG-CA 3.31Å; S23-G180 WeakPolarHBondContact OG-CA 3.41Å
24F97.6Very high88.4Confident21 Ų2167.7 Ų67.79%0.09233%0.33CS..EExtended strand (participates in β ladder)trans-144.9114.4174.2-168.7-169000111.7I26 L43 I46 V54 I55 Q56 F248 F263F24-I26 HydrophobicContact CB-CG1 4.34Å; F24-I26 HydrophobicContact CD1-CD1 3.91Å; F24-I26 HydrophobicContact CD1-CG1 3.47Å; F24-I26 VanDerWaalsContact CD1-CG1 3.47Å; F24-I26 HydrophobicContact CD2-CG1 4.22Å; F24-I26 HydrophobicContact CE1-CD1 4.27Å; F24-I26 HydrophobicContact CE1-CG1 3.74Å; F24-I26 HydrophobicContact CE2-CG1 4.43Å; F24-I26 HydrophobicContact CG-CG1 3.74Å; F24-I26 HydrophobicContact CZ-CG1 4.21Å; F24-I26 PolarHBondContact O-N 2.89Å; F24-L43 HydrophobicContact CD1-CD2 4.42Å; F24-L43 HydrophobicContact CE1-CD2 3.63Å; F24-L43 HydrophobicContact CZ-CD2 4.37Å; F24-I46 HydrophobicContact CD1-CG2 4.12Å; F24-I46 HydrophobicContact CE1-CD1 3.85Å; F24-I46 HydrophobicContact CE1-CG2 4.04Å; F24-I46 HydrophobicContact CZ-CD1 4.08Å; F24-V54 PolarHBondContact N-O 2.89Å; F24-I55 WeakPolarHBondContact O-CA 3.36Å; F24-Q56 PolarHBondContact O-N 2.75Å; F24-F248 HydrophobicContact CZ-CE1 4.47Å; F24-F263 HydrophobicContact CE1-CD1 4.39Å; F24-F263 HydrophobicContact CZ-CB 4.42Å; F24-F263 AromaticContact CZ-CD1 3.69Å; F24-F263 HydrophobicContact CZ-CD1 3.69Å; F24-F263 HydrophobicContact CZ-CE1 4.44Å; F24-F263 HydrophobicContact CZ-CG 4.37Å
25N96.3Very high90.4Very high3 Ų366.1 Ų66.12%0.01633%0.33CS..EExtended strand (participates in β ladder)trans-77.4106.9161.3-174.2-17.3000109.4Q27 Q56 E57 D181N25-Q27 VanDerWaalsContact C-N 3.26Å; N25-Q27 PolarHBondContact O-N 2.91Å; N25-Q27 PolarHBondContact OD1-N 2.89Å; N25-Q56 HydrophobicContact CB-CB 4.29Å; N25-E57 PolarHBondContact ND2-OE1 2.77Å; N25-E57 WeakPolarHBondContact OD1-CG 2.95Å; N25-E57 PolarHBondContact OD1-OE1 3.04Å; N25-E57 VanDerWaalsContact OD1-OE1 3.08Å; N25-D181 HydrophobicContact CB-CB 4.25Å; N25-D181 PolarHBondContact ND2-OD2 3.08Å
26I94.3Very high92.5Very high0 Ų060.2 Ų60.20%031%0.309CS..EExtended strand (participates in β ladder)trans-830.6-175-64.4-177.6000112.6F24 F29 K33 L43 I55F24-I26 HydrophobicContact CB-CG1 4.34Å; F24-I26 HydrophobicContact CD1-CD1 3.91Å; F24-I26 HydrophobicContact CD1-CG1 3.47Å; F24-I26 VanDerWaalsContact CD1-CG1 3.47Å; F24-I26 HydrophobicContact CD2-CG1 4.22Å; F24-I26 HydrophobicContact CE1-CD1 4.27Å; F24-I26 HydrophobicContact CE1-CG1 3.74Å; F24-I26 HydrophobicContact CE2-CG1 4.43Å; F24-I26 HydrophobicContact CG-CG1 3.74Å; F24-I26 HydrophobicContact CZ-CG1 4.21Å; F24-I26 PolarHBondContact O-N 2.89Å; I26-F29 HydrophobicContact CB-CB 4.19Å; I26-F29 HydrophobicContact CG2-CB 3.81Å; I26-F29 HydrophobicContact CG2-CD2 3.67Å; I26-F29 HydrophobicContact CG2-CG 4.03Å; I26-K33 HydrophobicContact CG2-CD 4.09Å; I26-K33 PolarHBondContact O-NZ 3.34Å; I26-L43 HydrophobicContact CD1-CD2 3.76Å; I26-L43 HydrophobicContact CG1-CD2 4.14Å; I26-L43 HydrophobicContact CG2-CD1 4.19Å; I26-L43 HydrophobicContact CG2-CD2 3.91Å; I26-I55 HydrophobicContact CB-CG2 4.37Å; I26-I55 HydrophobicContact CD1-CB 4.2Å; I26-I55 HydrophobicContact CD1-CD1 3.69Å; I26-I55 HydrophobicContact CD1-CG1 3.81Å; I26-I55 HydrophobicContact CD1-CG2 3.37Å; I26-I55 HydrophobicContact CG1-CG2 3.83Å
27Q91.5Very high94.1Very high59 Ų5961.5 Ų61.528%0.27631%0.309SS..EExtended strand (participates in β ladder)trans59.289.9-179.7-174.5-159.613.500112.5N25 K33 E57 L261 F263 R264N25-Q27 VanDerWaalsContact C-N 3.26Å; N25-Q27 PolarHBondContact O-N 2.91Å; N25-Q27 PolarHBondContact OD1-N 2.89Å; Q27-K33 PolarHBondContact O-NZ 3.39Å; Q27-E57 WeakPolarHBondContact CA-OE2 3.32Å; Q27-L261 PolarHBondContact OE1-O 3.41Å; Q27-F263 VanDerWaalsContact OE1-C 3.24Å; Q27-F263 PolarHBondContact OE1-O 3.35Å; Q27-R264 HydrophobicContact CB-CB 4.09Å
28V91.7Very high95.1Very high70 Ų7059.5 Ų59.542%0.42430%0.304SS..EExtended strand (participates in β ladder)trans50.472.2179-170.60000113G30 E57V28-G30 PolarHBondContact O-N 2.93Å; V28-E57 PolarHBondContact N-OE2 2.91Å
29F95.8Very high95.5Very high0 Ų055.5 Ų55.50%028%0.277CS..EExtended strand (participates in β ladder)trans-88.2108.2177.2-173.8-105.2000112.1I26 K33 V34 L43 E57 I58 R59 L69I26-F29 HydrophobicContact CB-CB 4.19Å; I26-F29 HydrophobicContact CG2-CB 3.81Å; I26-F29 HydrophobicContact CG2-CD2 3.67Å; I26-F29 HydrophobicContact CG2-CG 4.03Å; F29-K33 HydrophobicContact CD2-CB 4.27Å; F29-K33 HydrophobicContact CD2-CD 3.98Å; F29-K33 HydrophobicContact CD2-CG 3.99Å; F29-K33 HydrophobicContact CE2-CG 4.37Å; F29-V34 HydrophobicContact CE2-CB 4.05Å; F29-V34 HydrophobicContact CE2-CG2 4.39Å; F29-V34 HydrophobicContact CZ-CB 3.75Å; F29-V34 HydrophobicContact CZ-CG2 3.8Å; F29-L43 HydrophobicContact CD2-CD1 4.01Å; F29-L43 HydrophobicContact CE2-CD1 3.57Å; F29-L43 HydrophobicContact CZ-CD1 4.5Å; F29-E57 PolarHBondContact N-O 2.84Å; F29-I58 HydrophobicContact CD1-CG1 4.32Å; F29-I58 HydrophobicContact CD1-CG2 4.42Å; F29-I58 CarbonylContact O-C 3.58Å; F29-R59 CarbonylContact O-C 3.6Å; F29-R59 PolarHBondContact O-N 2.83Å; F29-L69 HydrophobicContact CE1-CB 4.17Å; F29-L69 HydrophobicContact CE1-CD2 3.97Å; F29-L69 HydrophobicContact CE2-CD2 4.37Å; F29-L69 HydrophobicContact CZ-CB 3.84Å; F29-L69 HydrophobicContact CZ-CD2 3.81Å; F29-L69 HydrophobicContact CZ-CG 4.32Å
30G96.3Very high95.5Very high8 Ų853.7 Ų53.78%0.08227%0.265CS..SBendtrans-151.9-165.6177.200000112.6V28 K32 K33 V34 R59 S65V28-G30 PolarHBondContact O-N 2.93Å; G30-K32 PolarHBondContact O-N 3.44Å; G30-K32 VanDerWaalsContact O-N 3.1Å; G30-K33 PolarHBondContact O-N 3.12Å; G30-V34 PolarHBondContact O-N 2.83Å; G30-R59 WeakPolarHBondContact CA-O 3.34Å; G30-S65 VanDerWaalsContact C-OG 3.24Å
31R95.7Very high95.5Very high128 Ų12854.8 Ų54.848%0.48327%0.27SS..Hα-helixtrans-54.2-36.8-171.9-64.2-171.8-57.7178.90.1114.3V34 S35 R62 S65R31-V34 WeakPolarHBondContact O-CG1 3.19Å; R31-S35 WeakPolarHBondContact O-CB 3.26Å; R31-S35 PolarHBondContact O-N 2.88Å; R31-S35 PolarHBondContact O-OG 3.35Å; R31-R62 VanDerWaalsContact NH1-NH1 3.12Å; R31-S65 WeakPolarHBondContact CA-OG 3.07Å; R31-S65 PolarHBondContact N-OG 3.03Å
32K95.4Very high95.4Very high167 Ų16753 Ų5373%0.72626%0.261SS*.Hα-helixtrans-62.4-55.3175.2-178.1-177.3174.7-171.60110.3G30 S35G30-K32 PolarHBondContact O-N 3.44Å; G30-K32 VanDerWaalsContact O-N 3.1Å; K32-S35 PolarHBondContact O-N 2.99Å; K32-S35 PolarHBondContact O-OG 3.02Å
33K94.9Very high95.4Very high13 Ų1352.8 Ų52.86%0.05726%0.259CS..Hα-helixtrans-63.1-45.8-176.8-173.6163.7-88.1-179.10112.5I26 Q27 F29 G30 S35 Q36 V39 E262I26-K33 HydrophobicContact CG2-CD 4.09Å; I26-K33 PolarHBondContact O-NZ 3.34Å; Q27-K33 PolarHBondContact O-NZ 3.39Å; F29-K33 HydrophobicContact CD2-CB 4.27Å; F29-K33 HydrophobicContact CD2-CD 3.98Å; F29-K33 HydrophobicContact CD2-CG 3.99Å; F29-K33 HydrophobicContact CE2-CG 4.37Å; G30-K33 PolarHBondContact O-N 3.12Å; K33-S35 PolarHBondContact O-N 2.86Å; K33-Q36 WeakPolarHBondContact O-CB 3.42Å; K33-Q36 PolarHBondContact O-N 3.43Å; K33-Q36 VanDerWaalsContact O-N 3.09Å; K33-V39 HydrophobicContact CD-CG1 4.19Å; K33-V39 HydrophobicContact CG-CG1 3.7Å; K33-E262 WeakPolarHBondContact CE-O 3.46Å; K33-E262 WeakPolarHBondContact CE-OE2 3.45Å; K33-E262 VanDerWaalsContact NZ-C 3.3Å; K33-E262 PolarHBondContact NZ-O 3.07Å; K33-E262 IonicContact NZ-OE2 2.87Å
34V95.2Very high95.4Very high12 Ų1251.6 Ų51.67%0.07325%0.25CS..Hα-helixtrans-65.3-26179.175.70000113.2F29 G30 R31 Q36 L40 H68F29-V34 HydrophobicContact CE2-CB 4.05Å; F29-V34 HydrophobicContact CE2-CG2 4.39Å; F29-V34 HydrophobicContact CZ-CB 3.75Å; F29-V34 HydrophobicContact CZ-CG2 3.8Å; G30-V34 PolarHBondContact O-N 2.83Å; R31-V34 WeakPolarHBondContact O-CG1 3.19Å; V34-Q36 VanDerWaalsContact C-N 3.25Å; V34-Q36 PolarHBondContact O-N 2.89Å; V34-L40 HydrophobicContact CG2-CD1 4.31Å; V34-H68 HydrophobicContact CG2-CB 4.07Å; V34-H68 VanDerWaalsContact CG2-CD2 3.45Å; V34-H68 WeakPolarHBondContact CG2-CD2 3.35Å
35S95.1Very high95.4Very high88 Ų8853.1 Ų53.162%0.61526%0.258SS*.THydrogen-bonded Turntrans-74.8-13.1176.172.60000114.1R31 K32 K33 K37R31-S35 WeakPolarHBondContact O-CB 3.26Å; R31-S35 PolarHBondContact O-N 2.88Å; R31-S35 PolarHBondContact O-OG 3.35Å; K32-S35 PolarHBondContact O-N 2.99Å; K32-S35 PolarHBondContact O-OG 3.02Å; K33-S35 PolarHBondContact O-N 2.86Å; S35-K37 PolarHBondContact O-N 3.02Å
36Q95.9Very high95.5Very high60 Ų6053.2 Ų53.228%0.2826%0.258SS..  trans-83104.5178-62.1-173.471.400109.7K33 V34 D38 V39 L40 E262K33-Q36 WeakPolarHBondContact O-CB 3.42Å; K33-Q36 PolarHBondContact O-N 3.43Å; K33-Q36 VanDerWaalsContact O-N 3.09Å; V34-Q36 VanDerWaalsContact C-N 3.25Å; V34-Q36 PolarHBondContact O-N 2.89Å; Q36-D38 VanDerWaalsContact C-N 3.32Å; Q36-D38 PolarHBondContact O-N 2.82Å; Q36-V39 HydrophobicContact CB-CB 3.89Å; Q36-V39 HydrophobicContact CB-CG2 3.72Å; Q36-V39 HydrophobicContact CG-CG2 4.5Å; Q36-V39 PolarHBondContact O-N 3.38Å; Q36-V39 VanDerWaalsContact O-N 3.16Å; Q36-L40 WeakPolarHBondContact O-CB 3.35Å; Q36-L40 PolarHBondContact O-N 3.25Å; Q36-E262 VanDerWaalsContact NE2-CD 3.33Å; Q36-E262 PolarHBondContact NE2-OE1 2.84Å; Q36-E262 PolarHBondContact NE2-OE2 3.04Å; Q36-E262 PolarHBondContact OE1-OE1 3.32Å
37K94.9Very high95.7Very high176 Ų17653.2 Ų53.277%0.76526%0.258SS*.Hα-helixtrans-56.3-41.7-174.7-67.5-174.5177.7-176.60113.6S35 L40 K41S35-K37 PolarHBondContact O-N 3.02Å; K37-L40 PolarHBondContact O-N 2.8Å; K37-K41 WeakPolarHBondContact O-CB 3.28Å; K37-K41 PolarHBondContact O-N 2.91Å
38D93.7Very high96Very high116 Ų11652 Ų5262%0.6226%0.256SS*.Hα-helixtrans-67.3-40.9-179.8-64.2-31.2000111.6Q36 K41 V42 L258Q36-D38 VanDerWaalsContact C-N 3.32Å; Q36-D38 PolarHBondContact O-N 2.82Å; D38-K41 PolarHBondContact O-N 3.44Å; D38-V42 WeakPolarHBondContact O-CG2 3.47Å; D38-V42 PolarHBondContact O-N 3.17Å; D38-V42 VanDerWaalsContact O-N 3.12Å; D38-L258 HydrophobicContact CB-CD2 4.34Å
39V95.3Very high96.2Very high0 Ų053.3 Ų53.30%025%0.253CS..Hα-helixtrans-63.3-46.8174.7178.30000110.6K33 Q36 K41 V42 L43 L258 E262 F263K33-V39 HydrophobicContact CD-CG1 4.19Å; K33-V39 HydrophobicContact CG-CG1 3.7Å; Q36-V39 HydrophobicContact CB-CB 3.89Å; Q36-V39 HydrophobicContact CB-CG2 3.72Å; Q36-V39 HydrophobicContact CG-CG2 4.5Å; Q36-V39 PolarHBondContact O-N 3.38Å; Q36-V39 VanDerWaalsContact O-N 3.16Å; V39-K41 PolarHBondContact O-N 3.46Å; V39-V42 PolarHBondContact O-N 2.93Å; V39-L43 HydrophobicContact CG1-CD1 4.15Å; V39-L43 HydrophobicContact CG1-CG 4.38Å; V39-L43 WeakPolarHBondContact O-CG 3.49Å; V39-L43 PolarHBondContact O-N 3.41Å; V39-L258 HydrophobicContact CG2-CD1 3.94Å; V39-E262 HydrophobicContact CG1-CB 4.4Å; V39-E262 HydrophobicContact CG2-CB 3.88Å; V39-E262 HydrophobicContact CG2-CG 3.67Å; V39-F263 HydrophobicContact CB-CZ 4.45Å; V39-F263 HydrophobicContact CG1-CE1 3.96Å; V39-F263 HydrophobicContact CG1-CZ 3.7Å
40L95.8Very high96.4Very high12 Ų1255.2 Ų55.26%0.06326%0.261CS..Hα-helixtrans-61.9-41.9179.5-179.959.4000112V34 Q36 K37 V42 L43 V44 L69 E72V34-L40 HydrophobicContact CG2-CD1 4.31Å; Q36-L40 WeakPolarHBondContact O-CB 3.35Å; Q36-L40 PolarHBondContact O-N 3.25Å; K37-L40 PolarHBondContact O-N 2.8Å; L40-V42 PolarHBondContact O-N 2.84Å; L40-L43 WeakPolarHBondContact O-CB 3.28Å; L40-L43 PolarHBondContact O-N 3.05Å; L40-V44 HydrophobicContact CD1-CG2 4.38Å; L40-V44 WeakPolarHBondContact O-CG2 3.36Å; L40-V44 PolarHBondContact O-N 2.79Å; L40-L69 HydrophobicContact CD1-CD1 3.65Å; L40-E72 HydrophobicContact CD1-CB 4.26Å; L40-E72 HydrophobicContact CD1-CG 4.35Å; L40-E72 HydrophobicContact CD2-CB 4.49Å; L40-E72 HydrophobicContact CD2-CG 3.86Å; L40-E72 HydrophobicContact CG-CG 4.4Å
41K96.1Very high96.4Very high135 Ų13555.7 Ų55.759%0.58726%0.262SS*.Hα-helixtrans-58.7-47.1174.6-179-179.1177.2-176.90111.7K37 D38 V39 V44 Q45K37-K41 WeakPolarHBondContact O-CB 3.28Å; K37-K41 PolarHBondContact O-N 2.91Å; D38-K41 PolarHBondContact O-N 3.44Å; V39-K41 PolarHBondContact O-N 3.46Å; K41-V44 PolarHBondContact O-N 2.97Å; K41-Q45 WeakPolarHBondContact O-CG 3.3Å; K41-Q45 PolarHBondContact O-N 3.31Å; K41-Q45 VanDerWaalsContact O-N 3.07Å
42V96.4Very high96.6Very high8 Ų849.6 Ų49.65%0.04824%0.239CC..Hα-helixtrans-60.7-46.6176.2167.50000110.8D38 V39 L40 V44 Q45 I46 F248 L252 I254 L258 F263D38-V42 WeakPolarHBondContact O-CG2 3.47Å; D38-V42 PolarHBondContact O-N 3.17Å; D38-V42 VanDerWaalsContact O-N 3.12Å; V39-V42 PolarHBondContact O-N 2.93Å; L40-V42 PolarHBondContact O-N 2.84Å; V42-V44 VanDerWaalsContact C-N 3.35Å; V42-V44 PolarHBondContact O-N 2.97Å; V42-Q45 PolarHBondContact O-N 2.85Å; V42-I46 HydrophobicContact CG1-CD1 3.68Å; V42-I46 HydrophobicContact CG1-CG1 4.33Å; V42-I46 WeakPolarHBondContact O-CG1 3.48Å; V42-I46 PolarHBondContact O-N 3.41Å; V42-F248 HydrophobicContact CG1-CD2 4.35Å; V42-F248 HydrophobicContact CG1-CE2 4.44Å; V42-L252 HydrophobicContact CG1-CD1 4.29Å; V42-I254 HydrophobicContact CB-CD1 4.05Å; V42-I254 HydrophobicContact CG1-CD1 3.41Å; V42-I254 VanDerWaalsContact CG1-CD1 3.41Å; V42-I254 HydrophobicContact CG2-CD1 3.43Å; V42-I254 VanDerWaalsContact CG2-CD1 3.43Å; V42-I254 HydrophobicContact CG2-CG1 3.87Å; V42-L258 HydrophobicContact CG2-CD2 4.47Å; V42-F263 HydrophobicContact CB-CE2 4.47Å; V42-F263 HydrophobicContact CB-CZ 3.95Å; V42-F263 HydrophobicContact CG1-CE1 4.26Å; V42-F263 HydrophobicContact CG1-CE2 3.89Å; V42-F263 HydrophobicContact CG1-CZ 3.52Å
43L97.6Very high96.7Very high0 Ų041.7 Ų41.70%021%0.205CC..Hα-helixtrans-57.2-47.3177.6-75.2177.9000112F24 I26 F29 V39 L40 Q45 I46 L47 L69 F263F24-L43 HydrophobicContact CD1-CD2 4.42Å; F24-L43 HydrophobicContact CE1-CD2 3.63Å; F24-L43 HydrophobicContact CZ-CD2 4.37Å; I26-L43 HydrophobicContact CD1-CD2 3.76Å; I26-L43 HydrophobicContact CG1-CD2 4.14Å; I26-L43 HydrophobicContact CG2-CD1 4.19Å; I26-L43 HydrophobicContact CG2-CD2 3.91Å; F29-L43 HydrophobicContact CD2-CD1 4.01Å; F29-L43 HydrophobicContact CE2-CD1 3.57Å; F29-L43 HydrophobicContact CZ-CD1 4.5Å; V39-L43 HydrophobicContact CG1-CD1 4.15Å; V39-L43 HydrophobicContact CG1-CG 4.38Å; V39-L43 WeakPolarHBondContact O-CG 3.49Å; V39-L43 PolarHBondContact O-N 3.41Å; L40-L43 WeakPolarHBondContact O-CB 3.28Å; L40-L43 PolarHBondContact O-N 3.05Å; L43-Q45 VanDerWaalsContact C-N 3.34Å; L43-Q45 PolarHBondContact O-N 2.81Å; L43-I46 PolarHBondContact O-N 3.36Å; L43-L47 WeakPolarHBondContact O-CB 3.49Å; L43-L47 WeakPolarHBondContact O-CG 3.35Å; L43-L47 PolarHBondContact O-N 3.45Å; L43-L69 HydrophobicContact CB-CD1 3.91Å; L43-L69 HydrophobicContact CD1-CD1 4.25Å; L43-F263 HydrophobicContact CD2-CD1 4.15Å; L43-F263 HydrophobicContact CD2-CE1 3.5Å; L43-F263 VanDerWaalsContact CD2-CE1 3.5Å; L43-F263 HydrophobicContact CG-CE1 3.81Å; L43-F263 HydrophobicContact CG-CZ 4.45Å
44V98.1Very high96.9Very high8 Ų841.1 Ų41.15%0.04820%0.202CC..Hα-helixtrans-59.8-44.7178.1167.20000111.2L40 K41 V42 I46 L47 S48 E72 L73 Y76L40-V44 HydrophobicContact CD1-CG2 4.38Å; L40-V44 WeakPolarHBondContact O-CG2 3.36Å; L40-V44 PolarHBondContact O-N 2.79Å; K41-V44 PolarHBondContact O-N 2.97Å; V42-V44 VanDerWaalsContact C-N 3.35Å; V42-V44 PolarHBondContact O-N 2.97Å; V44-I46 PolarHBondContact O-N 2.99Å; V44-L47 PolarHBondContact O-N 3.21Å; V44-S48 VanDerWaalsContact O-CB 3.3Å; V44-S48 WeakPolarHBondContact O-CB 3.38Å; V44-S48 PolarHBondContact O-N 3.39Å; V44-S48 PolarHBondContact O-OG 2.85Å; V44-E72 HydrophobicContact CG2-CB 4.01Å; V44-L73 HydrophobicContact CG1-CD1 4.28Å; V44-Y76 HydrophobicContact CG1-CD1 3.57Å; V44-Y76 HydrophobicContact CG1-CD2 3.95Å; V44-Y76 HydrophobicContact CG1-CE1 4.33Å; V44-Y76 HydrophobicContact CG1-CG 3.34Å
45Q97.8Very high97.1Very high53 Ų5340.5 Ų40.525%0.24820%0.198CC..Hα-helixtrans-65.2-36178-70.6177.3-45.700113.4K41 V42 L43 S48 L252K41-Q45 WeakPolarHBondContact O-CG 3.3Å; K41-Q45 PolarHBondContact O-N 3.31Å; K41-Q45 VanDerWaalsContact O-N 3.07Å; V42-Q45 PolarHBondContact O-N 2.85Å; L43-Q45 VanDerWaalsContact C-N 3.34Å; L43-Q45 PolarHBondContact O-N 2.81Å; Q45-S48 PolarHBondContact O-OG 3.11Å; Q45-L252 HydrophobicContact CB-CD1 3.99Å; Q45-L252 HydrophobicContact CB-CD2 4.06Å
46I97.5Very high97.2Very high5 Ų536.3 Ų36.33%0.02617%0.169CC..Hα-helixtrans-66.8-52.7174-67.4167.5000109.6F24 V42 L43 V44 S48 R49 Y50 Y246 F248 L252F24-I46 HydrophobicContact CD1-CG2 4.12Å; F24-I46 HydrophobicContact CE1-CD1 3.85Å; F24-I46 HydrophobicContact CE1-CG2 4.04Å; F24-I46 HydrophobicContact CZ-CD1 4.08Å; V42-I46 HydrophobicContact CG1-CD1 3.68Å; V42-I46 HydrophobicContact CG1-CG1 4.33Å; V42-I46 WeakPolarHBondContact O-CG1 3.48Å; V42-I46 PolarHBondContact O-N 3.41Å; L43-I46 PolarHBondContact O-N 3.36Å; V44-I46 PolarHBondContact O-N 2.99Å; I46-S48 PolarHBondContact O-N 2.9Å; I46-R49 WeakPolarHBondContact O-CB 3.46Å; I46-R49 PolarHBondContact O-N 2.89Å; I46-Y50 HydrophobicContact CG2-CE2 4.32Å; I46-Y50 WeakPolarHBondContact O-CD2 3.49Å; I46-Y50 WeakPolarHBondContact O-CE2 3.46Å; I46-Y246 HydrophobicContact CG1-CE1 4.35Å; I46-Y246 HydrophobicContact CG2-CD1 4.47Å; I46-F248 HydrophobicContact CD1-CB 4Å; I46-F248 HydrophobicContact CD1-CD1 4.09Å; I46-F248 HydrophobicContact CD1-CD2 3.62Å; I46-F248 HydrophobicContact CD1-CE1 4.48Å; I46-F248 HydrophobicContact CD1-CE2 4.07Å; I46-F248 HydrophobicContact CD1-CG 3.62Å; I46-F248 HydrophobicContact CD1-CZ 4.46Å; I46-F248 HydrophobicContact CG1-CB 3.93Å; I46-F248 HydrophobicContact CG1-CD2 4.37Å; I46-F248 HydrophobicContact CG1-CG 4.13Å; I46-L252 HydrophobicContact CG1-CD1 3.8Å
47L98.4Very high97.2Very high0 Ų034.4 Ų34.40%016%0.16CC..Hα-helixtrans-69.6-32.8-171.4-64.6171.5000112.7L43 V44 R49 Y50 V53 I55 L69 L73 I101L43-L47 WeakPolarHBondContact O-CB 3.49Å; L43-L47 WeakPolarHBondContact O-CG 3.35Å; L43-L47 PolarHBondContact O-N 3.45Å; V44-L47 PolarHBondContact O-N 3.21Å; L47-R49 PolarHBondContact O-N 3.43Å; L47-Y50 PolarHBondContact O-N 3.4Å; L47-Y50 VanDerWaalsContact O-N 3.15Å; L47-V53 HydrophobicContact CD2-CB 4.46Å; L47-V53 HydrophobicContact CD2-CG1 3.79Å; L47-V53 HydrophobicContact CD2-CG2 3.86Å; L47-I55 HydrophobicContact CD1-CD1 3.88Å; L47-I55 HydrophobicContact CD2-CD1 3.88Å; L47-I55 HydrophobicContact CD2-CG1 4.2Å; L47-L69 HydrophobicContact CD1-CD1 3.98Å; L47-L69 HydrophobicContact CD1-CD2 3.85Å; L47-L69 HydrophobicContact CD1-CG 4.06Å; L47-L73 HydrophobicContact CB-CD1 4.11Å; L47-L73 HydrophobicContact CB-CD2 4.05Å; L47-I101 HydrophobicContact CD1-CD1 4.27Å
48S97.9Very high97.4Very high34 Ų3426 Ų2624%0.23812%0.124CC..THydrogen-bonded Turntrans-64.6-8.5178.573.30000114V44 Q45 I46 Y76 Y81V44-S48 VanDerWaalsContact O-CB 3.3Å; V44-S48 WeakPolarHBondContact O-CB 3.38Å; V44-S48 PolarHBondContact O-N 3.39Å; V44-S48 PolarHBondContact O-OG 2.85Å; Q45-S48 PolarHBondContact O-OG 3.11Å; I46-S48 PolarHBondContact O-N 2.9Å; S48-Y76 WeakPolarHBondContact OG-CE1 3.25Å; S48-Y81 PolarHBondContact O-OH 2.86Å
49R97.3Very high97.5Very high96 Ų9625.2 Ų25.236%0.36211%0.112SC..THydrogen-bonded Turntrans-81.1-16.7177.1-62.8172.360.181.8-6.1113.4K20 I46 L47 Y246K20-R49 WeakPolarHBondContact CD-O 3.5Å; I46-R49 WeakPolarHBondContact O-CB 3.46Å; I46-R49 PolarHBondContact O-N 2.89Å; L47-R49 PolarHBondContact O-N 3.43Å; R49-Y246 VanDerWaalsContact CD-CE1 3.44Å
50Y98.3Very high97.5Very high40 Ų4025.6 Ų25.616%0.15711%0.114CC..  trans-108.4146.8-170.1-61.5-86.3000111.3K20 I46 L47 V53 Y81K20-Y50 HydrophobicContact CB-CD1 4.33Å; I46-Y50 HydrophobicContact CG2-CE2 4.32Å; I46-Y50 WeakPolarHBondContact O-CD2 3.49Å; I46-Y50 WeakPolarHBondContact O-CE2 3.46Å; L47-Y50 PolarHBondContact O-N 3.4Å; L47-Y50 VanDerWaalsContact O-N 3.15Å; Y50-V53 HydrophobicContact CD2-CB 4.4Å; Y50-V53 HydrophobicContact CD2-CG2 4.38Å; Y50-V53 HydrophobicContact CG-CB 4.13Å; Y50-V53 HydrophobicContact CG-CG2 4.46Å; Y50-Y81 VanDerWaalsContact O-CE1 3.29Å; Y50-Y81 WeakPolarHBondContact O-CE1 3.44Å; Y50-Y81 PolarHBondContact O-OH 2.92Å
51D97.8Very high97.3Very high19 Ų1929.4 Ų29.410%0.10215%0.147CC..SBendtrans-87.4-30.1172.4-62.1-61.2000111.5V19 K20 Y102 R103 L106 F107V19-D51 WeakPolarHBondContact CA-OD2 3.41Å; V19-D51 HydrophobicContact CG1-CB 4.1Å; K20-D51 PolarHBondContact N-OD2 2.85Å; K20-D51 PolarHBondContact O-N 3.05Å; D51-Y102 CarbonylContact O-C 3.59Å; D51-Y102 VanDerWaalsContact O-CA 3.31Å; D51-Y102 WeakPolarHBondContact O-CA 3.29Å; D51-R103 PolarHBondContact O-N 3.48Å; D51-R103 WeakPolarHBondContact OD1-CD 3.5Å; D51-R103 IonicContact OD1-CZ 3.73Å; D51-R103 IonicContact OD1-NE 3.86Å; D51-R103 IonicContact OD1-NH1 2.81Å; D51-R103 PolarHBondContact OD1-NH1 3.34Å; D51-L106 HydrophobicContact CB-CD1 3.67Å; D51-L106 WeakPolarHBondContact OD1-CD1 3.34Å; D51-F107 HydrophobicContact CB-CE2 3.9Å; D51-F107 HydrophobicContact CB-CZ 4.42Å; D51-F107 WeakPolarHBondContact O-CE2 3.42Å
52L98.6Very high97.2Very high0 Ų031.5 Ų31.50%015%0.151CC..EExtended strand (participates in β ladder)trans-141128170.3-176.3155.3000108.2K20 I21 G22 L100 I101 F107 I131 L143K20-L52 PolarHBondContact O-N 2.84Å; I21-L52 CarbonylContact C-O 3.43Å; I21-L52 VanDerWaalsContact CA-O 3.25Å; I21-L52 WeakPolarHBondContact CA-O 3.49Å; I21-L52 HydrophobicContact CG1-CB 4.35Å; I21-L52 HydrophobicContact CG2-CD2 3.91Å; G22-L52 PolarHBondContact N-O 2.82Å; L52-L100 HydrophobicContact CD1-CD1 4.23Å; L52-L100 HydrophobicContact CD2-CD1 3.73Å; L52-L100 HydrophobicContact CG-CD1 3.83Å; L52-I101 CarbonylContact C-O 3.58Å; L52-I101 WeakPolarHBondContact CA-O 3.32Å; L52-F107 HydrophobicContact CB-CD2 4.31Å; L52-F107 HydrophobicContact CB-CE2 3.68Å; L52-F107 HydrophobicContact CB-CZ 3.83Å; L52-F107 HydrophobicContact CD1-CD1 4.39Å; L52-F107 HydrophobicContact CD1-CD2 4.4Å; L52-F107 HydrophobicContact CD1-CE1 4.31Å; L52-F107 HydrophobicContact CD1-CE2 4.36Å; L52-F107 HydrophobicContact CD1-CG 4.38Å; L52-F107 HydrophobicContact CD1-CZ 4.25Å; L52-I131 HydrophobicContact CD1-CD1 3.97Å; L52-I131 HydrophobicContact CD1-CG1 4.35Å; L52-I131 HydrophobicContact CD1-CG2 4.22Å; L52-L143 HydrophobicContact CD1-CD2 4.47Å; L52-L143 HydrophobicContact CD2-CD2 3.61Å
53V98.7Very high97.1Very high1 Ų134.4 Ų34.41%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-141139.8177.459.30000110.1G22 L47 Y50 I101G22-V53 WeakPolarHBondContact O-CA 3.47Å; L47-V53 HydrophobicContact CD2-CB 4.46Å; L47-V53 HydrophobicContact CD2-CG1 3.79Å; L47-V53 HydrophobicContact CD2-CG2 3.86Å; Y50-V53 HydrophobicContact CD2-CB 4.4Å; Y50-V53 HydrophobicContact CD2-CG2 4.38Å; Y50-V53 HydrophobicContact CG-CB 4.13Å; Y50-V53 HydrophobicContact CG-CG2 4.46Å; V53-I101 HydrophobicContact CG1-CB 3.91Å; V53-I101 PolarHBondContact N-O 3.34Å; V53-I101 PolarHBondContact O-N 2.85Å
54V98.6Very high97.1Very high0 Ų037.8 Ų37.80%019%0.187CC..EExtended strand (participates in β ladder)trans-108.6147171.7-600000110.6G22 S23 F24 Q56 G99 L100 L143 V145 L179G22-V54 PolarHBondContact O-N 3Å; S23-V54 CarbonylContact C-O 3.5Å; S23-V54 WeakPolarHBondContact OG-CG2 3.29Å; F24-V54 PolarHBondContact N-O 2.89Å; V54-Q56 PolarHBondContact O-NE2 2.71Å; V54-G99 CarbonylContact C-O 3.47Å; V54-G99 WeakPolarHBondContact CA-O 3.44Å; V54-L100 HydrophobicContact CG1-CB 4.45Å; V54-L100 HydrophobicContact CG1-CD1 3.45Å; V54-L100 VanDerWaalsContact CG1-CD1 3.45Å; V54-L143 HydrophobicContact CG1-CD2 3.93Å; V54-V145 HydrophobicContact CB-CG1 4.12Å; V54-V145 HydrophobicContact CB-CG2 3.97Å; V54-V145 HydrophobicContact CG1-CG2 3.57Å; V54-V145 HydrophobicContact CG2-CG1 3.96Å; V54-V145 HydrophobicContact CG2-CG2 4.12Å; V54-L179 HydrophobicContact CB-CD1 4.33Å; V54-L179 HydrophobicContact CG1-CD1 4.47Å; V54-L179 HydrophobicContact CG2-CD1 3.02Å
55I98.3Very high97.1Very high0 Ų037.4 Ų37.40%019%0.185CC..EExtended strand (participates in β ladder)trans-120.9130-177.1-67.2174.7000108.1F24 I26 L47 I58 F66 L69 Y98 G99 I101F24-I55 WeakPolarHBondContact O-CA 3.36Å; I26-I55 HydrophobicContact CB-CG2 4.37Å; I26-I55 HydrophobicContact CD1-CB 4.2Å; I26-I55 HydrophobicContact CD1-CD1 3.69Å; I26-I55 HydrophobicContact CD1-CG1 3.81Å; I26-I55 HydrophobicContact CD1-CG2 3.37Å; I26-I55 HydrophobicContact CG1-CG2 3.83Å; L47-I55 HydrophobicContact CD1-CD1 3.88Å; L47-I55 HydrophobicContact CD2-CD1 3.88Å; L47-I55 HydrophobicContact CD2-CG1 4.2Å; I55-I58 HydrophobicContact CB-CD1 4.27Å; I55-I58 HydrophobicContact CG2-CD1 3.88Å; I55-I58 HydrophobicContact CG2-CG1 3.71Å; I55-F66 HydrophobicContact CD1-CE2 4.15Å; I55-L69 HydrophobicContact CD1-CD2 3.89Å; I55-Y98 WeakPolarHBondContact O-CA 3.14Å; I55-G99 PolarHBondContact N-O 3.15Å; I55-G99 PolarHBondContact O-N 2.81Å; I55-I101 HydrophobicContact CD1-CD1 3.76Å
56Q97.9Very high97.1Very high0 Ų035.2 Ų35.20%018%0.175CC..EExtended strand (participates in β ladder)trans-102.8166.9172.9-61.577.675.800110.7S23 F24 N25 V54 I58 Y98 V145 H147S23-Q56 PolarHBondContact OG-NE2 3Å; S23-Q56 VanDerWaalsContact OG-NE2 3.1Å; S23-Q56 PolarHBondContact OG-OE1 3.15Å; F24-Q56 PolarHBondContact O-N 2.75Å; N25-Q56 HydrophobicContact CB-CB 4.29Å; V54-Q56 PolarHBondContact O-NE2 2.71Å; Q56-I58 PolarHBondContact O-N 3.03Å; Q56-Y98 HydrophobicContact CB-CD1 4.44Å; Q56-Y98 HydrophobicContact CB-CE1 4.48Å; Q56-Y98 HydrophobicContact CG-CD1 3.94Å; Q56-Y98 HydrophobicContact CG-CE1 3.91Å; Q56-V145 HydrophobicContact CG-CG1 4.36Å; Q56-H147 HydrophobicContact CB-CB 4.44Å; Q56-H147 HydrophobicContact CG-CB 4.19Å
57E96.6Very high97.2Very high19 Ų1941.6 Ų41.69%0.08920%0.202CC..EExtended strand (participates in β ladder)trans61.232.8178.1-64.5-161.2-150.700115.9N25 Q27 V28 F29 R59 E96 H147N25-E57 PolarHBondContact ND2-OE1 2.77Å; N25-E57 WeakPolarHBondContact OD1-CG 2.95Å; N25-E57 PolarHBondContact OD1-OE1 3.04Å; N25-E57 VanDerWaalsContact OD1-OE1 3.08Å; Q27-E57 WeakPolarHBondContact CA-OE2 3.32Å; V28-E57 PolarHBondContact N-OE2 2.91Å; F29-E57 PolarHBondContact N-O 2.84Å; E57-R59 PolarHBondContact O-N 2.82Å; E57-E96 WeakPolarHBondContact CG-OE2 3.43Å; E57-H147 WeakPolarHBondContact CG-CE1 3.39Å; E57-H147 IonicContact OE1-CE1 3.44Å; E57-H147 PolarHBondContact OE1-CE1 3.49Å; E57-H147 IonicContact OE1-NE2 2.69Å
58I97.9Very high97.2Very high1 Ų145.4 Ų45.41%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-72.9115.8170-57.7172.6000108.8F29 I55 Q56 F66 L85 E96 Q97F29-I58 HydrophobicContact CD1-CG1 4.32Å; F29-I58 HydrophobicContact CD1-CG2 4.42Å; F29-I58 CarbonylContact O-C 3.58Å; I55-I58 HydrophobicContact CB-CD1 4.27Å; I55-I58 HydrophobicContact CG2-CD1 3.88Å; I55-I58 HydrophobicContact CG2-CG1 3.71Å; Q56-I58 PolarHBondContact O-N 3.03Å; I58-F66 HydrophobicContact CD1-CB 4.19Å; I58-F66 HydrophobicContact CD1-CD2 3.42Å; I58-F66 VanDerWaalsContact CD1-CD2 3.42Å; I58-F66 HydrophobicContact CD1-CE2 3.89Å; I58-F66 HydrophobicContact CD1-CG 3.88Å; I58-F66 HydrophobicContact CG2-CB 4.23Å; I58-L85 HydrophobicContact CD1-CD1 3.62Å; I58-L85 HydrophobicContact CG2-CD1 4.23Å; I58-E96 CarbonylContact O-C 3.59Å; I58-E96 VanDerWaalsContact O-CA 3.28Å; I58-E96 WeakPolarHBondContact O-CA 3.42Å; I58-Q97 HydrophobicContact CB-CB 4.07Å; I58-Q97 WeakPolarHBondContact CB-O 3.48Å; I58-Q97 HydrophobicContact CG2-CB 4.39Å; I58-Q97 PolarHBondContact N-O 2.83Å; I58-Q97 PolarHBondContact O-N 3.22Å
59R96.2Very high97.2Very high98 Ų9843.8 Ų43.837%0.3721%0.209SC..  trans-128.781.3-175.5-63.6-176.660.8-165.2-3.1110.1F29 G30 E57 S94 K95 E96F29-R59 CarbonylContact O-C 3.6Å; F29-R59 PolarHBondContact O-N 2.83Å; G30-R59 WeakPolarHBondContact CA-O 3.34Å; E57-R59 PolarHBondContact O-N 2.82Å; R59-S94 PolarHBondContact NE-OG 2.96Å; R59-S94 PolarHBondContact NH2-OG 3.37Å; R59-K95 WeakPolarHBondContact CG-O 3.25Å; R59-E96 HydrophobicContact CG-CB 4.42Å; R59-E96 HydrophobicContact CG-CG 3.63Å
60D95.5Very high97.3Very high9 Ų939.5 Ų39.55%0.04819%0.193CC..  trans-138.5108.8174.4-176.68.2000111.2R62 D63 T64 S65D60-R62 PolarHBondContact O-N 3.18Å; D60-R62 VanDerWaalsContact O-N 3.09Å; D60-R62 PolarHBondContact OD1-N 2.71Å; D60-D63 PolarHBondContact O-N 2.82Å; D60-T64 WeakPolarHBondContact OD2-CA 3.42Å; D60-T64 PolarHBondContact OD2-N 2.77Å; D60-T64 PolarHBondContact OD2-OG1 3.35Å; D60-S65 VanDerWaalsContact CG-OG 3.29Å; D60-S65 WeakPolarHBondContact OD2-CB 3.39Å; D60-S65 PolarHBondContact OD2-N 3.31Å; D60-S65 PolarHBondContact OD2-OG 3.44Å
61A91.7Very high97.3Very high91 Ų9141.4 Ų41.475%0.75221%0.206SC*.THydrogen-bonded Turntrans-60.7-21.3179.200000113.6
62R94.2Very high97.3Very high179 Ų17943.6 Ų43.668%0.67522%0.216SC*.THydrogen-bonded Turntrans-94.9-1.3178.6-63.7-167.7179.9172.9-0.7113.9R31 D60 T64R31-R62 VanDerWaalsContact NH1-NH1 3.12Å; D60-R62 PolarHBondContact O-N 3.18Å; D60-R62 VanDerWaalsContact O-N 3.09Å; D60-R62 PolarHBondContact OD1-N 2.71Å; R62-T64 HydrophobicContact CB-CG2 4.12Å; R62-T64 PolarHBondContact O-N 2.81Å; R62-T64 VanDerWaalsContact O-N 3.11Å
63D94.8Very high97.3Very high69 Ų6943.6 Ų43.637%0.36922%0.216SC..SBendtrans54.128.1-178.1-60.7-49.6000114.3D60 L85 K88 Q97D60-D63 PolarHBondContact O-N 2.82Å; D63-L85 HydrophobicContact CB-CD2 4.42Å; D63-K88 IonicContact OD1-NZ 2.75Å; D63-K88 PolarHBondContact OD1-NZ 2.85Å; D63-K88 IonicContact OD2-NZ 2.71Å; D63-K88 PolarHBondContact OD2-NZ 3.22Å; D63-Q97 PolarHBondContact OD1-NE2 2.83Å; D63-Q97 PolarHBondContact OD1-OE1 3.42Å
64T97.3Very high97.3Very high71 Ų7145 Ų4544%0.43622%0.223SC..  trans-94.5-34.6-175.948.20000113.3D60 R62 K67 H68D60-T64 WeakPolarHBondContact OD2-CA 3.42Å; D60-T64 PolarHBondContact OD2-N 2.77Å; D60-T64 PolarHBondContact OD2-OG1 3.35Å; R62-T64 HydrophobicContact CB-CG2 4.12Å; R62-T64 PolarHBondContact O-N 2.81Å; R62-T64 VanDerWaalsContact O-N 3.11Å; T64-K67 PolarHBondContact O-N 2.95Å; T64-H68 WeakPolarHBondContact O-CB 3.31Å; T64-H68 PolarHBondContact O-N 3.25Å
65S98Very high97.3Very high1 Ų152 Ų521%0.00726%0.256CS..Hα-helixtrans-68.5-41.6-167.6-54.10000112.2G30 R31 D60 H68 L69G30-S65 VanDerWaalsContact C-OG 3.24Å; R31-S65 WeakPolarHBondContact CA-OG 3.07Å; R31-S65 PolarHBondContact N-OG 3.03Å; D60-S65 VanDerWaalsContact CG-OG 3.29Å; D60-S65 WeakPolarHBondContact OD2-CB 3.39Å; D60-S65 PolarHBondContact OD2-N 3.31Å; D60-S65 PolarHBondContact OD2-OG 3.44Å; S65-H68 PolarHBondContact O-N 3.49Å; S65-L69 PolarHBondContact O-N 3Å
66F98.4Very high97.3Very high6 Ų658.6 Ų58.63%0.02628%0.282CS..Hα-helixtrans-66.6-42.7177.9-178.8-114.9000112.1I55 I58 H68 L69 V70 I84 L85 G99 I101I55-F66 HydrophobicContact CD1-CE2 4.15Å; I58-F66 HydrophobicContact CD1-CB 4.19Å; I58-F66 HydrophobicContact CD1-CD2 3.42Å; I58-F66 VanDerWaalsContact CD1-CD2 3.42Å; I58-F66 HydrophobicContact CD1-CE2 3.89Å; I58-F66 HydrophobicContact CD1-CG 3.88Å; I58-F66 HydrophobicContact CG2-CB 4.23Å; F66-H68 VanDerWaalsContact C-N 3.31Å; F66-H68 PolarHBondContact O-N 2.87Å; F66-L69 WeakPolarHBondContact O-CB 3.47Å; F66-L69 PolarHBondContact O-N 2.86Å; F66-V70 HydrophobicContact CD1-CG2 4.48Å; F66-V70 HydrophobicContact CD2-CG2 4.45Å; F66-V70 HydrophobicContact CE1-CG2 4.18Å; F66-V70 HydrophobicContact CE2-CG2 4.13Å; F66-V70 HydrophobicContact CZ-CG2 3.99Å; F66-V70 WeakPolarHBondContact O-CG2 3.3Å; F66-V70 PolarHBondContact O-N 3.44Å; F66-I84 WeakPolarHBondContact CE1-O 3.47Å; F66-L85 HydrophobicContact CB-CD1 4.18Å; F66-L85 HydrophobicContact CB-CD2 4.38Å; F66-L85 HydrophobicContact CD1-CB 3.9Å; F66-L85 HydrophobicContact CD1-CD1 3.73Å; F66-L85 HydrophobicContact CD1-CD2 4.25Å; F66-L85 HydrophobicContact CD1-CG 4.18Å; F66-L85 HydrophobicContact CE1-CB 4.06Å; F66-L85 HydrophobicContact CE1-CD1 4.21Å; F66-L85 HydrophobicContact CG-CD1 3.93Å; F66-G99 VanDerWaalsContact CZ-CA 3.49Å; F66-I101 HydrophobicContact CE2-CD1 3.97Å; F66-I101 HydrophobicContact CE2-CG1 3.92Å; F66-I101 HydrophobicContact CZ-CD1 4.3Å; F66-I101 HydrophobicContact CZ-CG1 3.77Å
67K98.1Very high97.3Very high140 Ų14059.9 Ų59.961%0.60929%0.292SS*.Hα-helixtrans-60.5-42.6174.6-175.5179.1179.9-179.50111.4T64 V70 N71T64-K67 PolarHBondContact O-N 2.95Å; K67-V70 PolarHBondContact O-N 3.04Å; K67-N71 VanDerWaalsContact O-CG 3.3Å; K67-N71 PolarHBondContact O-N 3.05Å; K67-N71 PolarHBondContact O-OD1 3Å
68H98.4Very high97.3Very high79 Ų7962 Ų6237%0.36632%0.319SS..Hα-helixtrans-60-47.5176-173.7111.3000111.4V34 T64 S65 F66 V70 N71 E72V34-H68 HydrophobicContact CG2-CB 4.07Å; V34-H68 VanDerWaalsContact CG2-CD2 3.45Å; V34-H68 WeakPolarHBondContact CG2-CD2 3.35Å; T64-H68 WeakPolarHBondContact O-CB 3.31Å; T64-H68 PolarHBondContact O-N 3.25Å; S65-H68 PolarHBondContact O-N 3.49Å; F66-H68 VanDerWaalsContact C-N 3.31Å; F66-H68 PolarHBondContact O-N 2.87Å; H68-V70 VanDerWaalsContact C-N 3.32Å; H68-V70 PolarHBondContact O-N 3.27Å; H68-N71 PolarHBondContact O-N 3.37Å; H68-E72 IonicContact NE2-OE1 3.7Å; H68-E72 WeakPolarHBondContact O-CG 3.48Å; H68-E72 PolarHBondContact O-N 3.02Å
69L98.6Very high97.3Very high0 Ų064.5 Ų64.50%035%0.346CS..Hα-helixtrans-56.9-43.5175.4176.261.6000112.8F29 L40 L43 L47 I55 S65 F66 E72 L73F29-L69 HydrophobicContact CE1-CB 4.17Å; F29-L69 HydrophobicContact CE1-CD2 3.97Å; F29-L69 HydrophobicContact CE2-CD2 4.37Å; F29-L69 HydrophobicContact CZ-CB 3.84Å; F29-L69 HydrophobicContact CZ-CD2 3.81Å; F29-L69 HydrophobicContact CZ-CG 4.32Å; L40-L69 HydrophobicContact CD1-CD1 3.65Å; L43-L69 HydrophobicContact CB-CD1 3.91Å; L43-L69 HydrophobicContact CD1-CD1 4.25Å; L47-L69 HydrophobicContact CD1-CD1 3.98Å; L47-L69 HydrophobicContact CD1-CD2 3.85Å; L47-L69 HydrophobicContact CD1-CG 4.06Å; I55-L69 HydrophobicContact CD1-CD2 3.89Å; S65-L69 PolarHBondContact O-N 3Å; F66-L69 WeakPolarHBondContact O-CB 3.47Å; F66-L69 PolarHBondContact O-N 2.86Å; L69-E72 PolarHBondContact O-N 3.27Å; L69-L73 WeakPolarHBondContact O-CB 3.43Å; L69-L73 PolarHBondContact O-N 2.78Å
70V98.7Very high97.4Very high7 Ų762.7 Ų62.74%0.04234%0.342CS..Hα-helixtrans-67.9-36.1179.7173.20000111.7F66 K67 H68 N74 I101F66-V70 HydrophobicContact CD1-CG2 4.48Å; F66-V70 HydrophobicContact CD2-CG2 4.45Å; F66-V70 HydrophobicContact CE1-CG2 4.18Å; F66-V70 HydrophobicContact CE2-CG2 4.13Å; F66-V70 HydrophobicContact CZ-CG2 3.99Å; F66-V70 WeakPolarHBondContact O-CG2 3.3Å; F66-V70 PolarHBondContact O-N 3.44Å; K67-V70 PolarHBondContact O-N 3.04Å; H68-V70 VanDerWaalsContact C-N 3.32Å; H68-V70 PolarHBondContact O-N 3.27Å; V70-N74 WeakPolarHBondContact O-CB 3.13Å; V70-N74 PolarHBondContact O-N 3.01Å; V70-N74 PolarHBondContact O-ND2 3.4Å; V70-I101 HydrophobicContact CG2-CD1 3.86Å; V70-I101 HydrophobicContact CG2-CG1 4.03Å
71N98.6Very high97.5Very high79 Ų7962.9 Ų62.942%0.42234%0.343SS..Hα-helixtrans-62.9-49.9174.5-72.6-7.1000111K67 H68 L73 N74 E75K67-N71 VanDerWaalsContact O-CG 3.3Å; K67-N71 PolarHBondContact O-N 3.05Å; K67-N71 PolarHBondContact O-OD1 3Å; H68-N71 PolarHBondContact O-N 3.37Å; N71-L73 VanDerWaalsContact C-N 3.32Å; N71-L73 PolarHBondContact O-N 2.93Å; N71-N74 CarbonylContact O-C 3.57Å; N71-N74 WeakPolarHBondContact O-CA 3.24Å; N71-N74 WeakPolarHBondContact O-CB 3.4Å; N71-N74 PolarHBondContact O-N 3.45Å; N71-E75 WeakPolarHBondContact O-CG 3.4Å; N71-E75 PolarHBondContact O-N 3.35Å
72E98.5Very high97.9Very high66 Ų6664.4 Ų64.431%0.30833%0.332SS..Hα-helixtrans-62-39.8178.9-66.8-81.815700111.8L40 V44 H68 L69 N74 E75 Y76L40-E72 HydrophobicContact CD1-CB 4.26Å; L40-E72 HydrophobicContact CD1-CG 4.35Å; L40-E72 HydrophobicContact CD2-CB 4.49Å; L40-E72 HydrophobicContact CD2-CG 3.86Å; L40-E72 HydrophobicContact CG-CG 4.4Å; V44-E72 HydrophobicContact CG2-CB 4.01Å; H68-E72 IonicContact NE2-OE1 3.7Å; H68-E72 WeakPolarHBondContact O-CG 3.48Å; H68-E72 PolarHBondContact O-N 3.02Å; L69-E72 PolarHBondContact O-N 3.27Å; E72-N74 VanDerWaalsContact C-N 3.33Å; E72-N74 PolarHBondContact O-N 3.15Å; E72-E75 PolarHBondContact O-N 2.76Å; E72-Y76 WeakPolarHBondContact O-CB 3.24Å; E72-Y76 PolarHBondContact O-N 2.99Å
73L98.7Very high98.1Very high0 Ų058 Ų580%032%0.315CS..Hα-helixtrans-61.2-41.8172.5176.861.9000111.8V44 L47 L69 N71 Y76 A77 Y81 I101V44-L73 HydrophobicContact CG1-CD1 4.28Å; L47-L73 HydrophobicContact CB-CD1 4.11Å; L47-L73 HydrophobicContact CB-CD2 4.05Å; L69-L73 WeakPolarHBondContact O-CB 3.43Å; L69-L73 PolarHBondContact O-N 2.78Å; N71-L73 VanDerWaalsContact C-N 3.32Å; N71-L73 PolarHBondContact O-N 2.93Å; L73-Y76 PolarHBondContact O-N 3.06Å; L73-A77 WeakPolarHBondContact O-CB 3.46Å; L73-A77 PolarHBondContact O-N 2.67Å; L73-Y81 HydrophobicContact CD1-CD2 4.3Å; L73-Y81 HydrophobicContact CD1-CE2 3.98Å; L73-Y81 HydrophobicContact CD2-CD2 3.76Å; L73-Y81 HydrophobicContact CD2-CE2 4.02Å; L73-Y81 HydrophobicContact CD2-CG 4.06Å; L73-Y81 HydrophobicContact CG-CD2 3.69Å; L73-Y81 HydrophobicContact CG-CE2 3.89Å; L73-Y81 HydrophobicContact CG-CG 4.45Å; L73-I101 HydrophobicContact CD2-CD1 4.16Å; L73-I101 HydrophobicContact CD2-CG2 3.81Å
74N98.7Very high98.2Very high29 Ų2957.1 Ų57.116%0.15531%0.31CS..Hα-helixtrans-71.5-35.8177.9-89.4-38000112.7V70 N71 E72 Y76 A77 G78 G79 I80 Y81V70-N74 WeakPolarHBondContact O-CB 3.13Å; V70-N74 PolarHBondContact O-N 3.01Å; V70-N74 PolarHBondContact O-ND2 3.4Å; N71-N74 CarbonylContact O-C 3.57Å; N71-N74 WeakPolarHBondContact O-CA 3.24Å; N71-N74 WeakPolarHBondContact O-CB 3.4Å; N71-N74 PolarHBondContact O-N 3.45Å; E72-N74 VanDerWaalsContact C-N 3.33Å; E72-N74 PolarHBondContact O-N 3.15Å; N74-Y76 VanDerWaalsContact C-N 3.3Å; N74-A77 PolarHBondContact O-N 2.81Å; N74-G78 CarbonylContact O-C 3.59Å; N74-G78 WeakPolarHBondContact O-CA 3.25Å; N74-G78 PolarHBondContact O-N 2.79Å; N74-G79 PolarHBondContact O-N 3.25Å; N74-G79 VanDerWaalsContact OD1-CA 3.32Å; N74-G79 WeakPolarHBondContact OD1-CA 3.16Å; N74-I80 PolarHBondContact OD1-N 3.01Å; N74-Y81 PolarHBondContact ND2-O 3.09Å; N74-Y81 WeakPolarHBondContact OD1-CA 3.14Å; N74-Y81 WeakPolarHBondContact OD1-CB 3.32Å; N74-Y81 PolarHBondContact OD1-N 2.88Å; N74-Y81 PolarHBondContact OD1-O 2.79Å
75E98.4Very high98.2Very high147 Ų14756 Ų5669%0.68730%0.301SS*.Hα-helixtrans-61.1-42.6172-73.1179.8-16800110.8N71 E72N71-E75 WeakPolarHBondContact O-CG 3.4Å; N71-E75 PolarHBondContact O-N 3.35Å; E72-E75 PolarHBondContact O-N 2.76Å
76Y98.3Very high98.1Very high139 Ų13956.1 Ų56.155%0.54530%0.302SS..Hα-helixtrans-70-39.5176.5-179.1-94.7000113.6V44 S48 E72 L73 N74V44-Y76 HydrophobicContact CG1-CD1 3.57Å; V44-Y76 HydrophobicContact CG1-CD2 3.95Å; V44-Y76 HydrophobicContact CG1-CE1 4.33Å; V44-Y76 HydrophobicContact CG1-CG 3.34Å; S48-Y76 WeakPolarHBondContact OG-CE1 3.25Å; E72-Y76 WeakPolarHBondContact O-CB 3.24Å; E72-Y76 PolarHBondContact O-N 2.99Å; L73-Y76 PolarHBondContact O-N 3.06Å; N74-Y76 VanDerWaalsContact C-N 3.3Å
77A97.7Very high97.8Very high27 Ų2760 Ų6022%0.22332%0.32CS..Hα-helixtrans-102.26.2-171.100000114.8L73 N74 I80 Y81L73-A77 WeakPolarHBondContact O-CB 3.46Å; L73-A77 PolarHBondContact O-N 2.67Å; N74-A77 PolarHBondContact O-N 2.81Å; A77-I80 HydrophobicContact CB-CD1 4.07Å; A77-I80 HydrophobicContact CB-CG1 4.02Å; A77-I80 WeakPolarHBondContact O-CG1 3.29Å; A77-Y81 HydrophobicContact CB-CD2 4.1Å; A77-Y81 HydrophobicContact CB-CE2 3.66Å
78G97.2Very high97.6Very high64 Ų6457 Ų5766%0.6631%0.307SS*.THydrogen-bonded Turntrans7833.8176.800000115.2N74 I80N74-G78 CarbonylContact O-C 3.59Å; N74-G78 WeakPolarHBondContact O-CA 3.25Å; N74-G78 PolarHBondContact O-N 2.79Å; G78-I80 VanDerWaalsContact C-N 3.35Å; G78-I80 PolarHBondContact O-N 2.98Å
79G97.5Very high97.4Very high54 Ų5453.5 Ų53.556%0.55729%0.291SS*.SBendtrans73.721.1170.800000115.2N74N74-G79 PolarHBondContact O-N 3.25Å; N74-G79 VanDerWaalsContact OD1-CA 3.32Å; N74-G79 WeakPolarHBondContact OD1-CA 3.16Å
80I98Very high97Very high59 Ų5954.2 Ų54.230%0.30330%0.299SS..  trans-86.8-2-171.165174.8000114.9N74 A77 G78 P104N74-I80 PolarHBondContact OD1-N 3.01Å; A77-I80 HydrophobicContact CB-CD1 4.07Å; A77-I80 HydrophobicContact CB-CG1 4.02Å; A77-I80 WeakPolarHBondContact O-CG1 3.29Å; G78-I80 VanDerWaalsContact C-N 3.35Å; G78-I80 PolarHBondContact O-N 2.98Å; I80-P104 WeakPolarHBondContact O-CD 3.44Å
81Y98.8Very high96.4Very high13 Ų1360.2 Ų60.25%0.05132%0.32CS..  trans-112.3142.5-174.9-66.4-76000113.1S48 Y50 L73 N74 A77 I101 Y102 R103S48-Y81 PolarHBondContact O-OH 2.86Å; Y50-Y81 VanDerWaalsContact O-CE1 3.29Å; Y50-Y81 WeakPolarHBondContact O-CE1 3.44Å; Y50-Y81 PolarHBondContact O-OH 2.92Å; L73-Y81 HydrophobicContact CD1-CD2 4.3Å; L73-Y81 HydrophobicContact CD1-CE2 3.98Å; L73-Y81 HydrophobicContact CD2-CD2 3.76Å; L73-Y81 HydrophobicContact CD2-CE2 4.02Å; L73-Y81 HydrophobicContact CD2-CG 4.06Å; L73-Y81 HydrophobicContact CG-CD2 3.69Å; L73-Y81 HydrophobicContact CG-CE2 3.89Å; L73-Y81 HydrophobicContact CG-CG 4.45Å; N74-Y81 PolarHBondContact ND2-O 3.09Å; N74-Y81 WeakPolarHBondContact OD1-CA 3.14Å; N74-Y81 WeakPolarHBondContact OD1-CB 3.32Å; N74-Y81 PolarHBondContact OD1-N 2.88Å; N74-Y81 PolarHBondContact OD1-O 2.79Å; A77-Y81 HydrophobicContact CB-CD2 4.1Å; A77-Y81 HydrophobicContact CB-CE2 3.66Å; Y81-I101 HydrophobicContact CD1-CG2 3.69Å; Y81-I101 HydrophobicContact CE1-CG2 4.44Å; Y81-I101 HydrophobicContact CG-CG2 3.93Å; Y81-Y102 WeakPolarHBondContact CA-O 3.48Å; Y81-R103 HydrophobicContact CD1-CG 3.8Å; Y81-R103 HydrophobicContact CE1-CG 3.53Å
82K98.6Very high95.7Very high123 Ų12360.3 Ų60.354%0.53532%0.324SS..EExtended strand (participates in β ladder)trans-113163.2160.8-73-171.4-179.3-174.10109.5I101 Y102 P104K82-I101 WeakPolarHBondContact O-CA 3.4Å; K82-Y102 HydrophobicContact CB-CE1 3.85Å; K82-Y102 HydrophobicContact CB-CE2 4.02Å; K82-Y102 PolarHBondContact N-O 3.06Å; K82-Y102 WeakPolarHBondContact O-CD1 3.18Å; K82-Y102 PolarHBondContact O-N 3.27Å; K82-P104 HydrophobicContact CD-CB 4.04Å; K82-P104 HydrophobicContact CD-CG 4.16Å; K82-P104 HydrophobicContact CG-CB 4.37Å; K82-P104 HydrophobicContact CG-CG 4.04Å
83S98.5Very high95.1Very high46 Ų4669.1 Ų69.132%0.32235%0.354SS..EExtended strand (participates in β ladder)trans-141.6155.4179.565.60000113.4L100S83-L100 CarbonylContact C-O 3.56Å; S83-L100 WeakPolarHBondContact CA-O 3.3Å; S83-L100 WeakPolarHBondContact CB-O 3.45Å
84I97.4Very high94.4Very high49 Ų4971.2 Ų71.225%0.25137%0.369SS..EExtended strand (participates in β ladder)trans-129.2144.9169.3-61.4168.9000107.3F66 L100 Y102 I109 M112F66-I84 WeakPolarHBondContact CE1-O 3.47Å; I84-L100 HydrophobicContact CB-CB 4.49Å; I84-L100 PolarHBondContact N-O 3.25Å; I84-L100 PolarHBondContact O-N 3.34Å; I84-Y102 HydrophobicContact CD1-CE1 4.28Å; I84-Y102 HydrophobicContact CG1-CE1 4.28Å; I84-I109 HydrophobicContact CD1-CB 3.93Å; I84-I109 HydrophobicContact CD1-CG1 3.95Å; I84-I109 HydrophobicContact CD1-CG2 3.54Å; I84-M112 HydrophobicContact CG2-CE 4.31Å; I84-M112 HydrophobicContact CG2-SD 3.8Å
85L97.1Very high94.1Very high48 Ų4873.5 Ų73.525%0.25138%0.378SS..EExtended strand (participates in β ladder)trans-121.2132.4176.2-174.164.8000108I58 D63 F66 Q97I58-L85 HydrophobicContact CD1-CD1 3.62Å; I58-L85 HydrophobicContact CG2-CD1 4.23Å; D63-L85 HydrophobicContact CB-CD2 4.42Å; F66-L85 HydrophobicContact CB-CD1 4.18Å; F66-L85 HydrophobicContact CB-CD2 4.38Å; F66-L85 HydrophobicContact CD1-CB 3.9Å; F66-L85 HydrophobicContact CD1-CD1 3.73Å; F66-L85 HydrophobicContact CD1-CD2 4.25Å; F66-L85 HydrophobicContact CD1-CG 4.18Å; F66-L85 HydrophobicContact CE1-CB 4.06Å; F66-L85 HydrophobicContact CE1-CD1 4.21Å; F66-L85 HydrophobicContact CG-CD1 3.93Å; L85-Q97 HydrophobicContact CD1-CB 3.75Å; L85-Q97 HydrophobicContact CG-CB 4.27Å
86S95.3Very high94Very high4 Ų467.4 Ų67.43%0.02835%0.349CS..PPolyproline II helixtrans-69.2168.3175.7790000111.4Q97 Y98S86-Q97 PolarHBondContact O-NE2 2.87Å; S86-Q97 WeakPolarHBondContact OG-CA 3.41Å; S86-Y98 PolarHBondContact N-O 3.17Å; S86-Y98 PolarHBondContact OG-N 2.97Å
87E93.1Very high93.9Very high87 Ų8761.1 Ų61.141%0.40733%0.325SS..PPolyproline II helixtrans-61.8166.1161.170.7-168.6125.300111.9L89 Q97 T114 L116E87-L89 HydrophobicContact CG-CD2 3.61Å; E87-L89 HydrophobicContact CG-CG 4.36Å; E87-L89 PolarHBondContact O-N 2.8Å; E87-Q97 WeakPolarHBondContact O-CG 3.43Å; E87-T114 WeakPolarHBondContact OE1-CB 3.48Å; E87-T114 WeakPolarHBondContact OE1-CG2 3.35Å; E87-T114 PolarHBondContact OE1-OG1 2.96Å; E87-L116 WeakPolarHBondContact OE1-CD1 3.41Å
88K94Very high93.9Very high77 Ų7760 Ų6034%0.33532%0.315SS..PPolyproline II helixtrans-78.6116179.3-71.9-179.3-178.3700111D63 K95 E96 Q97D63-K88 IonicContact OD1-NZ 2.75Å; D63-K88 PolarHBondContact OD1-NZ 2.85Å; D63-K88 IonicContact OD2-NZ 2.71Å; D63-K88 PolarHBondContact OD2-NZ 3.22Å; K88-K95 HydrophobicContact CB-CB 3.78Å; K88-K95 HydrophobicContact CB-CG 4.17Å; K88-K95 HydrophobicContact CG-CB 4.44Å; K88-E96 CarbonylContact C-O 3.56Å; K88-Q97 HydrophobicContact CB-CG 4.34Å; K88-Q97 HydrophobicContact CG-CG 3.72Å
89L92.8Very high94Very high5 Ų556.9 Ų56.93%0.02628%0.283CS..BIsolated β-bridgetrans-109.1151.6-174-54.4173.9000111.6E87 K95 E96 Y98 T114 L116 R124 P125E87-L89 HydrophobicContact CG-CD2 3.61Å; E87-L89 HydrophobicContact CG-CG 4.36Å; E87-L89 PolarHBondContact O-N 2.8Å; L89-K95 CarbonylContact O-C 3.56Å; L89-K95 WeakPolarHBondContact O-CA 3.5Å; L89-K95 WeakPolarHBondContact O-CB 3.37Å; L89-K95 WeakPolarHBondContact O-CD 3.43Å; L89-E96 PolarHBondContact N-O 2.74Å; L89-E96 PolarHBondContact O-N 3.03Å; L89-Y98 HydrophobicContact CD1-CD2 3.65Å; L89-Y98 HydrophobicContact CD1-CE2 3.33Å; L89-T114 HydrophobicContact CD1-CG2 4.48Å; L89-T114 HydrophobicContact CD2-CG2 3.64Å; L89-L116 HydrophobicContact CD2-CD2 4.13Å; L89-R124 HydrophobicContact CB-CB 4.32Å; L89-R124 HydrophobicContact CB-CG 4.38Å; L89-P125 WeakPolarHBondContact CD1-O 3.46Å
90G90.3Very high94Very high16 Ų1654.4 Ų54.417%0.16526%0.257CS..  trans142.7150.8-175.400000110K95 E123G90-K95 PolarHBondContact O-NZ 3.43Å; G90-E123 CarbonylContact C-O 3.51Å; G90-E123 WeakPolarHBondContact CA-O 3.4Å; G90-E123 PolarHBondContact N-O 3.22Å
91R86.1Confident94.1Very high132 Ų13251.6 Ų51.650%0.49824%0.243SC..SBendtrans-84.9-28.2172.3-69.3-176.6-58.9142.90.9112.1E123R91-E123 IonicContact CZ-OE2 3.49Å; R91-E123 PolarHBondContact N-O 2.79Å; R91-E123 PolarHBondContact N-OE1 3Å; R91-E123 IonicContact NE-OE2 3.04Å; R91-E123 PolarHBondContact NE-OE2 3.44Å; R91-E123 IonicContact NH2-OE2 3.1Å; R91-E123 PolarHBondContact NH2-OE2 3.38Å
92T84.7Confident94.1Very high81 Ų8152.2 Ų52.250%0.49725%0.245SC..SBendtrans-96.6-169.2-176.874.40000112.7S94 K95T92-S94 VanDerWaalsContact C-N 3.27Å; T92-S94 PolarHBondContact OG1-N 3.36Å; T92-K95 WeakPolarHBondContact O-CD 3.17Å; T92-K95 WeakPolarHBondContact O-CE 3.35Å; T92-K95 PolarHBondContact O-NZ 3.26Å
93R85.2Confident94Very high251 Ų25149.4 Ų49.495%0.94723%0.231SC*.SBendtrans-68.1-26.9172.2-68.4-175.9177.8-173.2-0.5112.7K95R93-K95 PolarHBondContact O-N 3.42Å
94S85.2Confident94Very high44 Ų4448.8 Ų48.831%0.30823%0.226SC..  trans-73.8114.2172.3-178.10000108.1R59 T92R59-S94 PolarHBondContact NE-OG 2.96Å; R59-S94 PolarHBondContact NH2-OG 3.37Å; T92-S94 VanDerWaalsContact C-N 3.27Å; T92-S94 PolarHBondContact OG1-N 3.36Å
95K92.9Very high93.9Very high77 Ų7750.5 Ų50.534%0.33524%0.239SC..  trans-115.3149.2176.1-55.3-62.9-165.7-161.70111.2R59 K88 L89 G90 T92 R93R59-K95 WeakPolarHBondContact CG-O 3.25Å; K88-K95 HydrophobicContact CB-CB 3.78Å; K88-K95 HydrophobicContact CB-CG 4.17Å; K88-K95 HydrophobicContact CG-CB 4.44Å; L89-K95 CarbonylContact O-C 3.56Å; L89-K95 WeakPolarHBondContact O-CA 3.5Å; L89-K95 WeakPolarHBondContact O-CB 3.37Å; L89-K95 WeakPolarHBondContact O-CD 3.43Å; G90-K95 PolarHBondContact O-NZ 3.43Å; T92-K95 WeakPolarHBondContact O-CD 3.17Å; T92-K95 WeakPolarHBondContact O-CE 3.35Å; T92-K95 PolarHBondContact O-NZ 3.26Å; R93-K95 PolarHBondContact O-N 3.42Å
96E95.1Very high93.9Very high19 Ų1950.1 Ų50.19%0.08924%0.237CC..BIsolated β-bridgetrans-122.6159.3175.3-71.4171.7-14000110.4E57 I58 R59 K88 L89 R124 H147E57-E96 WeakPolarHBondContact CG-OE2 3.43Å; I58-E96 CarbonylContact O-C 3.59Å; I58-E96 VanDerWaalsContact O-CA 3.28Å; I58-E96 WeakPolarHBondContact O-CA 3.42Å; R59-E96 HydrophobicContact CG-CB 4.42Å; R59-E96 HydrophobicContact CG-CG 3.63Å; K88-E96 CarbonylContact C-O 3.56Å; L89-E96 PolarHBondContact N-O 2.74Å; L89-E96 PolarHBondContact O-N 3.03Å; E96-R124 IonicContact OE1-CZ 3.87Å; E96-R124 IonicContact OE1-NH1 3.64Å; E96-R124 PolarHBondContact OE1-NH1 3.35Å; E96-R124 WeakPolarHBondContact OE2-CD 3.49Å; E96-R124 IonicContact OE2-CZ 3.82Å; E96-R124 IonicContact OE2-NE 3.13Å; E96-R124 IonicContact OE2-NH1 2.9Å; E96-H147 IonicContact OE2-CE1 3.87Å; E96-H147 PolarHBondContact OE2-CE1 3.07Å; E96-H147 IonicContact OE2-ND1 2.74Å; E96-H147 PolarHBondContact OE2-ND1 3.48Å
97Q96.8Very high94Very high8 Ų850 Ų504%0.03724%0.236CC..EExtended strand (participates in β ladder)trans-128.8154.3173.1-67.4165.8-86.200109.4I58 D63 L85 S86 E87 K88I58-Q97 HydrophobicContact CB-CB 4.07Å; I58-Q97 WeakPolarHBondContact CB-O 3.48Å; I58-Q97 HydrophobicContact CG2-CB 4.39Å; I58-Q97 PolarHBondContact N-O 2.83Å; I58-Q97 PolarHBondContact O-N 3.22Å; D63-Q97 PolarHBondContact OD1-NE2 2.83Å; D63-Q97 PolarHBondContact OD1-OE1 3.42Å; L85-Q97 HydrophobicContact CD1-CB 3.75Å; L85-Q97 HydrophobicContact CG-CB 4.27Å; S86-Q97 PolarHBondContact O-NE2 2.87Å; S86-Q97 WeakPolarHBondContact OG-CA 3.41Å; E87-Q97 WeakPolarHBondContact O-CG 3.43Å; K88-Q97 HydrophobicContact CB-CG 4.34Å; K88-Q97 HydrophobicContact CG-CG 3.72Å
98Y97.6Very high94.3Very high2 Ų248.9 Ų48.91%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-94.9130.9165.9-57.2-57.2000109.8I55 Q56 S86 L89 R124 P125 M127 V145 H147I55-Y98 WeakPolarHBondContact O-CA 3.14Å; Q56-Y98 HydrophobicContact CB-CD1 4.44Å; Q56-Y98 HydrophobicContact CB-CE1 4.48Å; Q56-Y98 HydrophobicContact CG-CD1 3.94Å; Q56-Y98 HydrophobicContact CG-CE1 3.91Å; S86-Y98 PolarHBondContact N-O 3.17Å; S86-Y98 PolarHBondContact OG-N 2.97Å; L89-Y98 HydrophobicContact CD1-CD2 3.65Å; L89-Y98 HydrophobicContact CD1-CE2 3.33Å; Y98-R124 PolarHBondContact OH-O 2.61Å; Y98-P125 WeakPolarHBondContact CE2-O 3.17Å; Y98-M127 HydrophobicContact CD2-CB 3.59Å; Y98-M127 HydrophobicContact CD2-CE 4.5Å; Y98-M127 HydrophobicContact CD2-SD 4.46Å; Y98-M127 HydrophobicContact CE2-CB 4.07Å; Y98-M127 HydrophobicContact CG-CE 4.4Å; Y98-V145 HydrophobicContact CD1-CG1 3.62Å; Y98-V145 HydrophobicContact CE1-CG1 4.01Å; Y98-V145 HydrophobicContact CG-CB 4.4Å; Y98-V145 HydrophobicContact CG-CG1 3.89Å; Y98-H147 HydrophobicContact CE1-CB 3.91Å; Y98-H147 PolarHBondContact OH-N 3.41Å
99G98.2Very high94.5Very high0 Ų046.7 Ų46.70%023%0.227CC..EExtended strand (participates in β ladder)trans-99.4137.916800000109.7V54 I55 F66V54-G99 CarbonylContact C-O 3.47Å; V54-G99 WeakPolarHBondContact CA-O 3.44Å; I55-G99 PolarHBondContact N-O 3.15Å; I55-G99 PolarHBondContact O-N 2.81Å; F66-G99 VanDerWaalsContact CZ-CA 3.49Å
100L98.7Very high94.7Very high2 Ų247.9 Ų47.91%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-116.3125.3167.1175.268.8000107.7L52 V54 S83 I84 Y102 I109 V129 L143L52-L100 HydrophobicContact CD1-CD1 4.23Å; L52-L100 HydrophobicContact CD2-CD1 3.73Å; L52-L100 HydrophobicContact CG-CD1 3.83Å; V54-L100 HydrophobicContact CG1-CB 4.45Å; V54-L100 HydrophobicContact CG1-CD1 3.45Å; V54-L100 VanDerWaalsContact CG1-CD1 3.45Å; S83-L100 CarbonylContact C-O 3.56Å; S83-L100 WeakPolarHBondContact CA-O 3.3Å; S83-L100 WeakPolarHBondContact CB-O 3.45Å; I84-L100 HydrophobicContact CB-CB 4.49Å; I84-L100 PolarHBondContact N-O 3.25Å; I84-L100 PolarHBondContact O-N 3.34Å; L100-Y102 HydrophobicContact CD2-CD1 4.38Å; L100-Y102 HydrophobicContact CG-CD1 4.24Å; L100-I109 HydrophobicContact CD2-CD1 3.78Å; L100-I109 HydrophobicContact CD2-CG1 4.33Å; L100-V129 HydrophobicContact CD2-CG1 4.01Å; L100-V129 HydrophobicContact CD2-CG2 4.4Å; L100-L143 HydrophobicContact CD1-CD2 4.07Å
101I98.8Very high94.9Very high0 Ų051.8 Ų51.80%025%0.254CS..EExtended strand (participates in β ladder)trans-119132.5174.2-56.4175.9000107.5L47 L52 V53 I55 F66 V70 L73 Y81 K82L47-I101 HydrophobicContact CD1-CD1 4.27Å; L52-I101 CarbonylContact C-O 3.58Å; L52-I101 WeakPolarHBondContact CA-O 3.32Å; V53-I101 HydrophobicContact CG1-CB 3.91Å; V53-I101 PolarHBondContact N-O 3.34Å; V53-I101 PolarHBondContact O-N 2.85Å; I55-I101 HydrophobicContact CD1-CD1 3.76Å; F66-I101 HydrophobicContact CE2-CD1 3.97Å; F66-I101 HydrophobicContact CE2-CG1 3.92Å; F66-I101 HydrophobicContact CZ-CD1 4.3Å; F66-I101 HydrophobicContact CZ-CG1 3.77Å; V70-I101 HydrophobicContact CG2-CD1 3.86Å; V70-I101 HydrophobicContact CG2-CG1 4.03Å; L73-I101 HydrophobicContact CD2-CD1 4.16Å; L73-I101 HydrophobicContact CD2-CG2 3.81Å; Y81-I101 HydrophobicContact CD1-CG2 3.69Å; Y81-I101 HydrophobicContact CE1-CG2 4.44Å; Y81-I101 HydrophobicContact CG-CG2 3.93Å; K82-I101 WeakPolarHBondContact O-CA 3.4Å
102Y98.7Very high95.4Very high26 Ų2649 Ų4910%0.10225%0.248CC..EExtended strand (participates in β ladder)trans-151.1155.4-174.866.3-81.3000112.5D51 Y81 K82 I84 L100 P104 F107 I109D51-Y102 CarbonylContact O-C 3.59Å; D51-Y102 VanDerWaalsContact O-CA 3.31Å; D51-Y102 WeakPolarHBondContact O-CA 3.29Å; Y81-Y102 WeakPolarHBondContact CA-O 3.48Å; K82-Y102 HydrophobicContact CB-CE1 3.85Å; K82-Y102 HydrophobicContact CB-CE2 4.02Å; K82-Y102 PolarHBondContact N-O 3.06Å; K82-Y102 WeakPolarHBondContact O-CD1 3.18Å; K82-Y102 PolarHBondContact O-N 3.27Å; I84-Y102 HydrophobicContact CD1-CE1 4.28Å; I84-Y102 HydrophobicContact CG1-CE1 4.28Å; L100-Y102 HydrophobicContact CD2-CD1 4.38Å; L100-Y102 HydrophobicContact CG-CD1 4.24Å; Y102-P104 HydrophobicContact CE2-CB 4.19Å; Y102-P104 WeakPolarHBondContact O-CD 3.38Å; Y102-F107 HydrophobicContact CD2-CB 4.21Å; Y102-I109 HydrophobicContact CD1-CD1 4.03Å; Y102-I109 HydrophobicContact CD1-CG1 3.9Å; Y102-I109 HydrophobicContact CD2-CD1 4.13Å; Y102-I109 HydrophobicContact CD2-CG1 4.07Å; Y102-I109 HydrophobicContact CE1-CD1 4.17Å; Y102-I109 HydrophobicContact CE1-CG1 3.51Å; Y102-I109 HydrophobicContact CE2-CD1 4.26Å; Y102-I109 HydrophobicContact CE2-CG1 3.69Å; Y102-I109 HydrophobicContact CG-CD1 4.02Å; Y102-I109 HydrophobicContact CG-CG1 4.17Å
103R98.2Very high95.7Very high63 Ų6346.5 Ų46.524%0.23823%0.232CC..  trans-85.7112.5172.6-65.5178.473.9-169.65.6110.3D51 Y81 T105 L106 F107D51-R103 PolarHBondContact O-N 3.48Å; D51-R103 WeakPolarHBondContact OD1-CD 3.5Å; D51-R103 IonicContact OD1-CZ 3.73Å; D51-R103 IonicContact OD1-NE 3.86Å; D51-R103 IonicContact OD1-NH1 2.81Å; D51-R103 PolarHBondContact OD1-NH1 3.34Å; Y81-R103 HydrophobicContact CD1-CG 3.8Å; Y81-R103 HydrophobicContact CE1-CG 3.53Å; R103-T105 PolarHBondContact O-N 3.28Å; R103-T105 VanDerWaalsContact O-N 3.15Å; R103-L106 HydrophobicContact CB-CB 4.47Å; R103-L106 HydrophobicContact CB-CD1 4.23Å; R103-L106 HydrophobicContact CB-CG 4.38Å; R103-L106 PolarHBondContact O-N 3.39Å; R103-F107 PolarHBondContact O-N 3.45Å
104P98Very high95.9Very high33 Ų3335.7 Ų35.721%0.21419%0.194CC..THydrogen-bonded Turntrans-69.8-10.7-17831.7-36.6000113.3I80 K82 Y102 L106 F107 K134I80-P104 WeakPolarHBondContact O-CD 3.44Å; K82-P104 HydrophobicContact CD-CB 4.04Å; K82-P104 HydrophobicContact CD-CG 4.16Å; K82-P104 HydrophobicContact CG-CB 4.37Å; K82-P104 HydrophobicContact CG-CG 4.04Å; Y102-P104 HydrophobicContact CE2-CB 4.19Å; Y102-P104 WeakPolarHBondContact O-CD 3.38Å; P104-L106 VanDerWaalsContact C-N 3.3Å; P104-F107 WeakPolarHBondContact CA-O 3.44Å; P104-K134 WeakPolarHBondContact O-CE 3.46Å; P104-K134 PolarHBondContact O-NZ 3.27Å
105T96.1Very high95.7Very high85 Ų8534.7 Ų34.752%0.52118%0.184SC..THydrogen-bonded Turntrans-73.3-24.5170.354.30000112.3R103R103-T105 PolarHBondContact O-N 3.28Å; R103-T105 VanDerWaalsContact O-N 3.15Å
106L96.4Very high94.5Very high41 Ų4135.3 Ų35.322%0.21519%0.191CC..THydrogen-bonded Turntrans-103.6-32.5-178.9-63.3175.4000112.4D51 R103 P104 K134D51-L106 HydrophobicContact CB-CD1 3.67Å; D51-L106 WeakPolarHBondContact OD1-CD1 3.34Å; R103-L106 HydrophobicContact CB-CB 4.47Å; R103-L106 HydrophobicContact CB-CD1 4.23Å; R103-L106 HydrophobicContact CB-CG 4.38Å; R103-L106 PolarHBondContact O-N 3.39Å; P104-L106 VanDerWaalsContact C-N 3.3Å; L106-K134 PolarHBondContact O-N 3.47Å
107F97.7Very high92.6Very high1 Ų143.4 Ų43.40%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-127.4148.3-172.9-51.2-80.6000113.6V19 D51 L52 Y102 R103 P104 I131 F132 M133 F141V19-F107 HydrophobicContact CG1-CE1 4.12Å; V19-F107 HydrophobicContact CG1-CE2 4.23Å; V19-F107 HydrophobicContact CG1-CZ 3.37Å; D51-F107 HydrophobicContact CB-CE2 3.9Å; D51-F107 HydrophobicContact CB-CZ 4.42Å; D51-F107 WeakPolarHBondContact O-CE2 3.42Å; L52-F107 HydrophobicContact CB-CD2 4.31Å; L52-F107 HydrophobicContact CB-CE2 3.68Å; L52-F107 HydrophobicContact CB-CZ 3.83Å; L52-F107 HydrophobicContact CD1-CD1 4.39Å; L52-F107 HydrophobicContact CD1-CD2 4.4Å; L52-F107 HydrophobicContact CD1-CE1 4.31Å; L52-F107 HydrophobicContact CD1-CE2 4.36Å; L52-F107 HydrophobicContact CD1-CG 4.38Å; L52-F107 HydrophobicContact CD1-CZ 4.25Å; Y102-F107 HydrophobicContact CD2-CB 4.21Å; R103-F107 PolarHBondContact O-N 3.45Å; P104-F107 WeakPolarHBondContact CA-O 3.44Å; F107-I131 HydrophobicContact CB-CG2 4.37Å; F107-I131 HydrophobicContact CD1-CG2 3.49Å; F107-I131 VanDerWaalsContact CD1-CG2 3.49Å; F107-I131 HydrophobicContact CE1-CG2 4.09Å; F107-I131 HydrophobicContact CG-CG2 4.25Å; F107-F132 CarbonylContact C-O 3.4Å; F107-F132 VanDerWaalsContact CA-O 3.26Å; F107-F132 WeakPolarHBondContact CA-O 3.33Å; F107-M133 HydrophobicContact CD1-CG 4.3Å; F107-M133 HydrophobicContact CE1-CE 4.24Å; F107-M133 HydrophobicContact CE1-CG 4.28Å; F107-F141 HydrophobicContact CE1-CE1 4.5Å
108T98Very high90.8Very high64 Ų6448.7 Ų48.739%0.39325%0.253SS..EExtended strand (participates in β ladder)trans-113.5133.8157.7-59.60000107.9F132 K134T108-F132 PolarHBondContact N-O 2.91Å; T108-F132 PolarHBondContact O-N 3.26Å; T108-K134 WeakPolarHBondContact OG1-CE 3.35Å
109I98.1Very high89.2Confident30 Ų3058 Ų5815%0.15429%0.293CS..EExtended strand (participates in β ladder)trans-89.4126174.4-52.4-56.4000108.9I84 L100 Y102 V129 I131I84-I109 HydrophobicContact CD1-CB 3.93Å; I84-I109 HydrophobicContact CD1-CG1 3.95Å; I84-I109 HydrophobicContact CD1-CG2 3.54Å; L100-I109 HydrophobicContact CD2-CD1 3.78Å; L100-I109 HydrophobicContact CD2-CG1 4.33Å; Y102-I109 HydrophobicContact CD1-CD1 4.03Å; Y102-I109 HydrophobicContact CD1-CG1 3.9Å; Y102-I109 HydrophobicContact CD2-CD1 4.13Å; Y102-I109 HydrophobicContact CD2-CG1 4.07Å; Y102-I109 HydrophobicContact CE1-CD1 4.17Å; Y102-I109 HydrophobicContact CE1-CG1 3.51Å; Y102-I109 HydrophobicContact CE2-CD1 4.26Å; Y102-I109 HydrophobicContact CE2-CG1 3.69Å; Y102-I109 HydrophobicContact CG-CD1 4.02Å; Y102-I109 HydrophobicContact CG-CG1 4.17Å; I109-V129 HydrophobicContact CG2-CG1 3.45Å; I109-V129 VanDerWaalsContact CG2-CG1 3.45Å; I109-I131 HydrophobicContact CD1-CD1 3.43Å; I109-I131 VanDerWaalsContact CD1-CD1 3.43Å
110G97.1Very high88.3Confident30 Ų3063.2 Ų63.231%0.30932%0.321SS..EExtended strand (participates in β ladder)trans-91.3-139.6173.800000112Q130G110-Q130 PolarHBondContact N-O 3.4Å
111E95.9Very high87.9Confident99 Ų9964.9 Ų64.946%0.46333%0.33SS..EExtended strand (participates in β ladder)trans-64.4143.8177.8-168.1178.2-161.100112.1V113 Q130 W171E111-V113 HydrophobicContact CG-CG2 4.02Å; E111-Q130 PolarHBondContact O-N 3.23Å; E111-W171 HydrophobicContact CB-CZ2 4.35Å; E111-W171 PolarHBondContact OE2-NE1 3.4Å
112M95.1Very high87.6Confident74 Ų7465.3 Ų65.337%0.36533%0.332SS..EExtended strand (participates in β ladder)trans-119.9127.6171.9179.4178.479.500109I84 M127 A128 V129I84-M112 HydrophobicContact CG2-CE 4.31Å; I84-M112 HydrophobicContact CG2-SD 3.8Å; M112-M127 HydrophobicContact CG-CG 3.9Å; M112-M127 HydrophobicContact CG-SD 4.07Å; M112-M127 HydrophobicContact SD-CG 4.16Å; M112-M127 HydrophobicContact SD-SD 3.5Å; M112-A128 CarbonylContact C-O 3.53Å; M112-A128 WeakPolarHBondContact CA-O 3.42Å; M112-V129 HydrophobicContact CG-CG2 4.21Å
113V92.3Very high87.4Confident28 Ų2865.2 Ų65.217%0.1733%0.333CS..EExtended strand (participates in β ladder)trans-126.8125.2-178.31770000109.5E111 A128 M170 W171E111-V113 HydrophobicContact CG-CG2 4.02Å; V113-A128 PolarHBondContact N-O 3.04Å; V113-A128 PolarHBondContact O-N 3.28Å; V113-M170 HydrophobicContact CG2-SD 4.12Å; V113-W171 HydrophobicContact CB-CZ2 4.39Å; V113-W171 HydrophobicContact CG2-CZ2 3.93Å
114T89.1Confident87.1Confident23 Ų2363.3 Ų63.314%0.14133%0.325CS..EExtended strand (participates in β ladder)trans-93.5131.7165-49.80000108.9E87 L89 L116 P125E87-T114 WeakPolarHBondContact OE1-CB 3.48Å; E87-T114 WeakPolarHBondContact OE1-CG2 3.35Å; E87-T114 PolarHBondContact OE1-OG1 2.96Å; L89-T114 HydrophobicContact CD1-CG2 4.48Å; L89-T114 HydrophobicContact CD2-CG2 3.64Å; T114-L116 HydrophobicContact CG2-CD2 3.65Å; T114-L116 HydrophobicContact CG2-CG 3.69Å; T114-L116 PolarHBondContact O-N 3.04Å; T114-P125 HydrophobicContact CG2-CB 3.9Å
115F80.8Confident87Confident24 Ų2462.6 Ų62.611%0.10532%0.321CS..  trans-76.854.8179-63.5-88000113H117 P126 A128 I144 S163 V167F115-H117 PolarHBondContact O-N 3.47Å; F115-P126 HydrophobicContact CD2-CB 3.83Å; F115-P126 HydrophobicContact CD2-CG 4.38Å; F115-P126 WeakPolarHBondContact CD2-O 3.43Å; F115-P126 HydrophobicContact CE2-CB 4.15Å; F115-P126 PolarHBondContact N-O 2.7Å; F115-A128 HydrophobicContact CE2-CB 3.87Å; F115-A128 HydrophobicContact CZ-CB 4.18Å; F115-I144 HydrophobicContact CE2-CD1 4.46Å; F115-I144 HydrophobicContact CZ-CD1 4.39Å; F115-S163 VanDerWaalsContact CE1-CB 3.47Å; F115-S163 WeakPolarHBondContact CE1-O 3.37Å; F115-S163 VanDerWaalsContact CZ-O 3.25Å; F115-S163 WeakPolarHBondContact CZ-O 3.43Å; F115-V167 HydrophobicContact CE1-CB 4.47Å; F115-V167 HydrophobicContact CE1-CG2 3.57Å; F115-V167 HydrophobicContact CE2-CG2 4.15Å; F115-V167 HydrophobicContact CZ-CB 3.99Å; F115-V167 HydrophobicContact CZ-CG2 3.17Å
116L67.9Low87Confident89 Ų8958.5 Ų58.547%0.46630%0.296SS..  trans-68.6-16.6-177.6-67.1178.2000114.1E87 L89 T114 Q118 P125E87-L116 WeakPolarHBondContact OE1-CD1 3.41Å; L89-L116 HydrophobicContact CD2-CD2 4.13Å; T114-L116 HydrophobicContact CG2-CD2 3.65Å; T114-L116 HydrophobicContact CG2-CG 3.69Å; T114-L116 PolarHBondContact O-N 3.04Å; L116-Q118 PolarHBondContact O-N 2.87Å; L116-P125 HydrophobicContact CD2-CG 4.22Å
117H54.1Low86.9Confident189 Ų18956.6 Ų56.688%0.87529%0.286SS*.SBendtrans-71.62.1-152.1-138.976.1000116F115F115-H117 PolarHBondContact O-N 3.47Å
118Q59.6Low86.9Confident119 Ų11956.6 Ų56.656%0.55629%0.285SS*.SBendtrans-142.8112.7170.6-60.6-176.332.400110.1L116 N120 L121L116-Q118 PolarHBondContact O-N 2.87Å; Q118-N120 PolarHBondContact O-N 3.46Å; Q118-L121 HydrophobicContact CB-CD1 3.43Å; Q118-L121 VanDerWaalsContact CB-CD1 3.43Å; Q118-L121 HydrophobicContact CB-CG 3.68Å; Q118-L121 HydrophobicContact CG-CD1 4.06Å; Q118-L121 PolarHBondContact O-N 2.9Å
119K63.7Low86.9Confident197 Ų19753.5 Ų53.586%0.85727%0.267SS*.THydrogen-bonded Turntrans-54.9134.1177-67.2178178.6176.30109.2
120N79.3Confident86.9Confident110 Ų11053.6 Ų53.659%0.58827%0.266SS*.THydrogen-bonded Turntrans79.86.5176.2-48.8-38.5000118.1Q118Q118-N120 PolarHBondContact O-N 3.46Å
121L90.1Very high87Confident37 Ų3752.1 Ų52.119%0.19425%0.252CS..SBendtrans-75.9-30.7175.3-73.4-167.8000114.1Q118 Q159Q118-L121 HydrophobicContact CB-CD1 3.43Å; Q118-L121 VanDerWaalsContact CB-CD1 3.43Å; Q118-L121 HydrophobicContact CB-CG 3.68Å; Q118-L121 HydrophobicContact CG-CD1 4.06Å; Q118-L121 PolarHBondContact O-N 2.9Å; L121-Q159 HydrophobicContact CB-CG 4.09Å; L121-Q159 HydrophobicContact CD1-CG 3.84Å; L121-Q159 HydrophobicContact CD2-CG 4.44Å; L121-Q159 HydrophobicContact CG-CG 4.37Å
122F93.9Very high87Confident10 Ų1051 Ų514%0.04425%0.245CC..  trans-138.2145.9178.3-61.2-84.2000109.2R124 P125 P126 L148 E156 Q159 L160F122-R124 VanDerWaalsContact C-N 3.34Å; F122-P125 HydrophobicContact CB-CG 4.29Å; F122-P126 HydrophobicContact CD1-CG 4.19Å; F122-P126 HydrophobicContact CE1-CG 3.82Å; F122-P126 HydrophobicContact CE2-CG 4.27Å; F122-P126 HydrophobicContact CZ-CG 3.86Å; F122-L148 HydrophobicContact CD1-CD2 4.45Å; F122-L148 HydrophobicContact CE1-CD2 4.46Å; F122-E156 WeakPolarHBondContact CA-OE1 3.33Å; F122-E156 HydrophobicContact CD1-CB 3.85Å; F122-E156 HydrophobicContact CD1-CG 4.01Å; F122-E156 HydrophobicContact CE1-CB 4.06Å; F122-E156 WeakPolarHBondContact CE1-O 3.42Å; F122-Q159 HydrophobicContact CD2-CG 4.46Å; F122-Q159 HydrophobicContact CE1-CB 4.26Å; F122-Q159 HydrophobicContact CE1-CG 4.36Å; F122-Q159 HydrophobicContact CE2-CB 4.32Å; F122-Q159 HydrophobicContact CE2-CG 3.55Å; F122-Q159 HydrophobicContact CZ-CB 3.81Å; F122-Q159 HydrophobicContact CZ-CG 3.5Å; F122-Q159 VanDerWaalsContact CZ-CG 3.5Å; F122-L160 HydrophobicContact CE1-CB 4.29Å; F122-L160 HydrophobicContact CZ-CB 4.4Å
123E93.4Very high87.1Confident24 Ų2449.1 Ų49.111%0.11224%0.236CC..SBendtrans-61.5-49162.6-177.658.2-137.200109.3G90 R91 D149 E156G90-E123 CarbonylContact C-O 3.51Å; G90-E123 WeakPolarHBondContact CA-O 3.4Å; G90-E123 PolarHBondContact N-O 3.22Å; R91-E123 IonicContact CZ-OE2 3.49Å; R91-E123 PolarHBondContact N-O 2.79Å; R91-E123 PolarHBondContact N-OE1 3Å; R91-E123 IonicContact NE-OE2 3.04Å; R91-E123 PolarHBondContact NE-OE2 3.44Å; R91-E123 IonicContact NH2-OE2 3.1Å; R91-E123 PolarHBondContact NH2-OE2 3.38Å; E123-D149 HydrophobicContact CB-CB 3.88Å; E123-E156 PolarHBondContact N-OE1 3.07Å
124R93.7Very high87Confident22 Ų2252.5 Ų52.58%0.08325%0.248CC..SBendtrans-125.699.4175.3-65.5163.6-63.1-111.3-6.2109L89 E96 Y98 F122 H147 L148L89-R124 HydrophobicContact CB-CB 4.32Å; L89-R124 HydrophobicContact CB-CG 4.38Å; E96-R124 IonicContact OE1-CZ 3.87Å; E96-R124 IonicContact OE1-NH1 3.64Å; E96-R124 PolarHBondContact OE1-NH1 3.35Å; E96-R124 WeakPolarHBondContact OE2-CD 3.49Å; E96-R124 IonicContact OE2-CZ 3.82Å; E96-R124 IonicContact OE2-NE 3.13Å; E96-R124 IonicContact OE2-NH1 2.9Å; Y98-R124 PolarHBondContact OH-O 2.61Å; F122-R124 VanDerWaalsContact C-N 3.34Å; R124-H147 PolarHBondContact NE-ND1 3.24Å; R124-H147 VanDerWaalsContact NE-ND1 3.14Å; R124-H147 PolarHBondContact NE-O 3.3Å; R124-H147 PolarHBondContact NH1-CE1 2.83Å; R124-H147 PolarHBondContact NH2-CD2 2.75Å; R124-H147 PolarHBondContact NH2-NE2 3.41Å; R124-H147 PolarHBondContact NH2-O 3.26Å; R124-L148 PolarHBondContact NH2-O 3.37Å
125P94.3Very high86.9Confident18 Ų1859.1 Ų59.112%0.11728%0.277CS..  trans-49.7135.5178.1-3137.6000111.8L89 Y98 T114 L116 F122L89-P125 WeakPolarHBondContact CD1-O 3.46Å; Y98-P125 WeakPolarHBondContact CE2-O 3.17Å; T114-P125 HydrophobicContact CG2-CB 3.9Å; L116-P125 HydrophobicContact CD2-CG 4.22Å; F122-P125 HydrophobicContact CB-CG 4.29Å
126P96.2Very high87.2Confident0 Ų059.9 Ų59.90%029%0.285CS..  trans-57.6154.3176.3-24.232.5000111.8F115 F122 I144 V145 I146 L160F115-P126 HydrophobicContact CD2-CB 3.83Å; F115-P126 HydrophobicContact CD2-CG 4.38Å; F115-P126 WeakPolarHBondContact CD2-O 3.43Å; F115-P126 HydrophobicContact CE2-CB 4.15Å; F115-P126 PolarHBondContact N-O 2.7Å; F122-P126 HydrophobicContact CD1-CG 4.19Å; F122-P126 HydrophobicContact CE1-CG 3.82Å; F122-P126 HydrophobicContact CE2-CG 4.27Å; F122-P126 HydrophobicContact CZ-CG 3.86Å; P126-I144 HydrophobicContact CB-CG2 3.8Å; P126-V145 WeakPolarHBondContact CA-O 3.06Å; P126-I146 HydrophobicContact CB-CG2 4.02Å; P126-I146 HydrophobicContact CG-CG2 4.12Å; P126-L160 HydrophobicContact CB-CD1 4.28Å; P126-L160 HydrophobicContact CG-CD1 3.86Å
127M95.7Very high87.9Confident1 Ų160.2 Ų60.21%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-111.8117.2171.7178.1-176.471.400108.9Y98 M112 V129 I144 V145Y98-M127 HydrophobicContact CD2-CB 3.59Å; Y98-M127 HydrophobicContact CD2-CE 4.5Å; Y98-M127 HydrophobicContact CD2-SD 4.46Å; Y98-M127 HydrophobicContact CE2-CB 4.07Å; Y98-M127 HydrophobicContact CG-CE 4.4Å; M112-M127 HydrophobicContact CG-CG 3.9Å; M112-M127 HydrophobicContact CG-SD 4.07Å; M112-M127 HydrophobicContact SD-CG 4.16Å; M112-M127 HydrophobicContact SD-SD 3.5Å; M127-V129 HydrophobicContact CE-CG2 3.96Å; M127-V129 HydrophobicContact CG-CG2 4.11Å; M127-V129 HydrophobicContact SD-CG2 4.35Å; M127-I144 WeakPolarHBondContact O-CA 3.48Å; M127-V145 HydrophobicContact CB-CB 4.49Å; M127-V145 HydrophobicContact CE-CB 4.27Å; M127-V145 HydrophobicContact CE-CG2 3.79Å; M127-V145 PolarHBondContact N-O 3.31Å; M127-V145 PolarHBondContact O-N 2.63Å
128A97.3Very high89.5Confident0 Ų051.7 Ų51.70%026%0.262CS..EExtended strand (participates in β ladder)trans-92.9138171.300000110.1M112 V113 F115 L143 I144 V167 W171M112-A128 CarbonylContact C-O 3.53Å; M112-A128 WeakPolarHBondContact CA-O 3.42Å; V113-A128 PolarHBondContact N-O 3.04Å; V113-A128 PolarHBondContact O-N 3.28Å; F115-A128 HydrophobicContact CE2-CB 3.87Å; F115-A128 HydrophobicContact CZ-CB 4.18Å; A128-L143 CarbonylContact C-O 3.57Å; A128-L143 VanDerWaalsContact CA-O 3.3Å; A128-L143 WeakPolarHBondContact CA-O 3.37Å; A128-I144 HydrophobicContact CB-CG1 3.95Å; A128-V167 HydrophobicContact CB-CG1 4.23Å; A128-V167 HydrophobicContact CB-CG2 3.7Å; A128-W171 HydrophobicContact CB-CH2 3.51Å; A128-W171 HydrophobicContact CB-CZ2 4.37Å; A128-W171 HydrophobicContact CB-CZ3 4.08Å
129V98.2Very high91Very high0 Ų051.3 Ų51.30%026%0.264CS..EExtended strand (participates in β ladder)trans-132.3128.7176.6-1700000109.2L100 I109 M112 M127 I131 L143L100-V129 HydrophobicContact CD2-CG1 4.01Å; L100-V129 HydrophobicContact CD2-CG2 4.4Å; I109-V129 HydrophobicContact CG2-CG1 3.45Å; I109-V129 VanDerWaalsContact CG2-CG1 3.45Å; M112-V129 HydrophobicContact CG-CG2 4.21Å; M127-V129 HydrophobicContact CE-CG2 3.96Å; M127-V129 HydrophobicContact CG-CG2 4.11Å; M127-V129 HydrophobicContact SD-CG2 4.35Å; V129-I131 HydrophobicContact CB-CD1 4.14Å; V129-I131 HydrophobicContact CG1-CD1 3.63Å; V129-L143 PolarHBondContact N-O 2.98Å; V129-L143 PolarHBondContact O-N 2.94Å
130Q97.8Very high92.5Very high31 Ų3144 Ų4415%0.14523%0.233CC..EExtended strand (participates in β ladder)trans-78.2122171.1-168.9-178.855.400109.4G110 E111 F132 I140 W171G110-Q130 PolarHBondContact N-O 3.4Å; E111-Q130 PolarHBondContact O-N 3.23Å; Q130-F132 HydrophobicContact CG-CD2 4.48Å; Q130-F132 HydrophobicContact CG-CE2 3.83Å; Q130-F132 HydrophobicContact CG-CZ 4.08Å; Q130-F132 VanDerWaalsContact OE1-CZ 3.26Å; Q130-I140 HydrophobicContact CG-CD1 3.46Å; Q130-I140 VanDerWaalsContact CG-CD1 3.46Å; Q130-I140 HydrophobicContact CG-CG1 4.03Å; Q130-I140 VanDerWaalsContact NE2-CD1 3.28Å; Q130-W171 HydrophobicContact CB-CD2 4.27Å; Q130-W171 HydrophobicContact CB-CE3 4.15Å; Q130-W171 HydrophobicContact CB-CH2 4.29Å; Q130-W171 HydrophobicContact CB-CZ2 4.39Å; Q130-W171 HydrophobicContact CB-CZ3 4.17Å; Q130-W171 HydrophobicContact CG-CE3 4.48Å
131I98.3Very high93.4Very high0 Ų038.8 Ų38.80%021%0.206CC..EExtended strand (participates in β ladder)trans-113.2122.4-178.3-52.4-61.9000109.5L52 F107 I109 V129 I140 F141 L143L52-I131 HydrophobicContact CD1-CD1 3.97Å; L52-I131 HydrophobicContact CD1-CG1 4.35Å; L52-I131 HydrophobicContact CD1-CG2 4.22Å; F107-I131 HydrophobicContact CB-CG2 4.37Å; F107-I131 HydrophobicContact CD1-CG2 3.49Å; F107-I131 VanDerWaalsContact CD1-CG2 3.49Å; F107-I131 HydrophobicContact CE1-CG2 4.09Å; F107-I131 HydrophobicContact CG-CG2 4.25Å; I109-I131 HydrophobicContact CD1-CD1 3.43Å; I109-I131 VanDerWaalsContact CD1-CD1 3.43Å; V129-I131 HydrophobicContact CB-CD1 4.14Å; V129-I131 HydrophobicContact CG1-CD1 3.63Å; I131-I140 VanDerWaalsContact O-CA 3.28Å; I131-I140 WeakPolarHBondContact O-CA 3.35Å; I131-F141 HydrophobicContact CB-CD1 4.14Å; I131-F141 HydrophobicContact CB-CD2 4.3Å; I131-F141 HydrophobicContact CB-CE1 3.75Å; I131-F141 HydrophobicContact CB-CE2 3.92Å; I131-F141 HydrophobicContact CB-CG 4.4Å; I131-F141 HydrophobicContact CB-CZ 3.64Å; I131-F141 HydrophobicContact CG1-CD2 4.42Å; I131-F141 HydrophobicContact CG1-CE2 3.84Å; I131-F141 HydrophobicContact CG1-CZ 3.9Å; I131-F141 HydrophobicContact CG2-CD1 4.28Å; I131-F141 HydrophobicContact CG2-CE1 3.5Å; I131-F141 VanDerWaalsContact CG2-CE1 3.5Å; I131-F141 HydrophobicContact CG2-CE2 4.29Å; I131-F141 HydrophobicContact CG2-CZ 3.51Å; I131-F141 PolarHBondContact N-O 3.27Å; I131-F141 PolarHBondContact O-N 3.41Å; I131-L143 HydrophobicContact CD1-CB 4.46Å; I131-L143 HydrophobicContact CD1-CD2 4.47Å; I131-L143 HydrophobicContact CG1-CB 3.83Å; I131-L143 HydrophobicContact CG1-CD2 4.47Å
132F97.4Very high93.8Very high76 Ų7637 Ų3733%0.33320%0.197SC..EExtended strand (participates in β ladder)trans-102.4130.8171-62.5-91.9000110.4F107 T108 Q130 N139 I140F107-F132 CarbonylContact C-O 3.4Å; F107-F132 VanDerWaalsContact CA-O 3.26Å; F107-F132 WeakPolarHBondContact CA-O 3.33Å; T108-F132 PolarHBondContact N-O 2.91Å; T108-F132 PolarHBondContact O-N 3.26Å; Q130-F132 HydrophobicContact CG-CD2 4.48Å; Q130-F132 HydrophobicContact CG-CE2 3.83Å; Q130-F132 HydrophobicContact CG-CZ 4.08Å; Q130-F132 VanDerWaalsContact OE1-CZ 3.26Å; F132-N139 CarbonylContact C-O 3.56Å; F132-N139 VanDerWaalsContact CA-O 3.28Å; F132-N139 WeakPolarHBondContact CA-O 3.35Å; F132-I140 HydrophobicContact CD1-CB 4.19Å; F132-I140 HydrophobicContact CD1-CD1 4.16Å; F132-I140 HydrophobicContact CD1-CG1 4.31Å; F132-I140 HydrophobicContact CE1-CB 4.37Å; F132-I140 HydrophobicContact CE1-CD1 3.59Å; F132-I140 HydrophobicContact CE1-CG1 4.24Å; F132-I140 HydrophobicContact CE2-CD1 4.5Å; F132-I140 HydrophobicContact CZ-CD1 3.79Å
133M95.3Very high94Very high33 Ų3336.6 Ų36.616%0.16319%0.194CC..EExtended strand (participates in β ladder)trans-96.3133177.1-56.8-170.972.600110.6V19 F107 I138 N139 F141V19-M133 HydrophobicContact CB-CE 4.4Å; V19-M133 HydrophobicContact CG1-CE 4.49Å; V19-M133 HydrophobicContact CG2-CE 3.9Å; F107-M133 HydrophobicContact CD1-CG 4.3Å; F107-M133 HydrophobicContact CE1-CE 4.24Å; F107-M133 HydrophobicContact CE1-CG 4.28Å; M133-I138 WeakPolarHBondContact CB-O 3.4Å; M133-I138 WeakPolarHBondContact CG-O 3.5Å; M133-I138 HydrophobicContact SD-CB 4.32Å; M133-I138 VanDerWaalsContact SD-O 3.4Å; M133-N139 PolarHBondContact N-O 2.9Å; M133-F141 HydrophobicContact CG-CD1 4.3Å; M133-F141 HydrophobicContact CG-CE1 3.99Å; M133-F141 HydrophobicContact SD-CD1 4.29Å; M133-F141 HydrophobicContact SD-CE1 4.05Å
134K91.8Very high94.2Very high100 Ų10035.4 Ų35.444%0.43519%0.189SC..SBendtrans-82-19.6-174.5-67.5-176.3175.7-178.50114.7P104 L106 T108P104-K134 WeakPolarHBondContact O-CE 3.46Å; P104-K134 PolarHBondContact O-NZ 3.27Å; L106-K134 PolarHBondContact O-N 3.47Å; T108-K134 WeakPolarHBondContact OG1-CE 3.35Å
135H86.3Confident94.5Very high162 Ų16234.4 Ų34.475%0.7519%0.185SC*.SBendtrans-145.848.5-172.8-55.1-62.3000112.2
136S86.3Confident94.6Very high39 Ų3933.6 Ų33.627%0.27318%0.18SC..SBendtrans-138.7149.9-176.3179.50000110.8I138 N139S136-I138 WeakPolarHBondContact CB-O 3.36Å; S136-I138 PolarHBondContact O-N 2.93Å; S136-I138 PolarHBondContact OG-N 2.93Å; S136-I138 PolarHBondContact OG-O 3.38Å; S136-N139 PolarHBondContact O-OD1 3.32Å; S136-N139 VanDerWaalsContact O-OD1 3.12Å
137A84Confident94.6Very high96 Ų9633.9 Ų33.979%0.79318%0.181SC*.SBendtrans-65.7-24168.100000111.9N139A137-N139 PolarHBondContact O-N 3.41Å
138I86.5Confident94.7Very high11 Ų1133.8 Ų33.86%0.05618%0.181CC..  trans-87.898.5168.1-58173.7000107.2M133 S136 Q233 L234 A237M133-I138 WeakPolarHBondContact CB-O 3.4Å; M133-I138 WeakPolarHBondContact CG-O 3.5Å; M133-I138 HydrophobicContact SD-CB 4.32Å; M133-I138 VanDerWaalsContact SD-O 3.4Å; S136-I138 WeakPolarHBondContact CB-O 3.36Å; S136-I138 PolarHBondContact O-N 2.93Å; S136-I138 PolarHBondContact OG-N 2.93Å; S136-I138 PolarHBondContact OG-O 3.38Å; I138-Q233 HydrophobicContact CD1-CB 4.4Å; I138-Q233 HydrophobicContact CG1-CB 4.21Å; I138-L234 HydrophobicContact CD1-CB 4.29Å; I138-L234 HydrophobicContact CD1-CD1 3.98Å; I138-A237 HydrophobicContact CD1-CB 3.59Å
139N91.6Very high94.6Very high111 Ų11134.7 Ų34.759%0.59419%0.185SC*.  trans-72.6-31.8-177.4-64.6-27.7000112.8F132 M133 S136 A137F132-N139 CarbonylContact C-O 3.56Å; F132-N139 VanDerWaalsContact CA-O 3.28Å; F132-N139 WeakPolarHBondContact CA-O 3.35Å; M133-N139 PolarHBondContact N-O 2.9Å; S136-N139 PolarHBondContact O-OD1 3.32Å; S136-N139 VanDerWaalsContact O-OD1 3.12Å; A137-N139 PolarHBondContact O-N 3.41Å
140I95.7Very high94.5Very high42 Ų4236.4 Ų36.422%0.21520%0.197CC..EExtended strand (participates in β ladder)trans-147.2141.7-173.2-176.4168.4000111.6Q130 I131 F132 I173Q130-I140 HydrophobicContact CG-CD1 3.46Å; Q130-I140 VanDerWaalsContact CG-CD1 3.46Å; Q130-I140 HydrophobicContact CG-CG1 4.03Å; Q130-I140 VanDerWaalsContact NE2-CD1 3.28Å; I131-I140 VanDerWaalsContact O-CA 3.28Å; I131-I140 WeakPolarHBondContact O-CA 3.35Å; F132-I140 HydrophobicContact CD1-CB 4.19Å; F132-I140 HydrophobicContact CD1-CD1 4.16Å; F132-I140 HydrophobicContact CD1-CG1 4.31Å; F132-I140 HydrophobicContact CE1-CB 4.37Å; F132-I140 HydrophobicContact CE1-CD1 3.59Å; F132-I140 HydrophobicContact CE1-CG1 4.24Å; F132-I140 HydrophobicContact CE2-CD1 4.5Å; F132-I140 HydrophobicContact CZ-CD1 3.79Å; I140-I173 HydrophobicContact CD1-CG2 3.87Å; I140-I173 HydrophobicContact CG1-CG2 4.07Å; I140-I173 HydrophobicContact CG2-CG2 4.34Å
141F97.7Very high94.4Very high2 Ų242 Ų421%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-145.7155.716467-85.6000111.1I21 F107 I131 M133 L143 N175 I177I21-F141 HydrophobicContact CD1-CE2 4.4Å; I21-F141 HydrophobicContact CD1-CZ 3.83Å; F107-F141 HydrophobicContact CE1-CE1 4.5Å; I131-F141 HydrophobicContact CB-CD1 4.14Å; I131-F141 HydrophobicContact CB-CD2 4.3Å; I131-F141 HydrophobicContact CB-CE1 3.75Å; I131-F141 HydrophobicContact CB-CE2 3.92Å; I131-F141 HydrophobicContact CB-CG 4.4Å; I131-F141 HydrophobicContact CB-CZ 3.64Å; I131-F141 HydrophobicContact CG1-CD2 4.42Å; I131-F141 HydrophobicContact CG1-CE2 3.84Å; I131-F141 HydrophobicContact CG1-CZ 3.9Å; I131-F141 HydrophobicContact CG2-CD1 4.28Å; I131-F141 HydrophobicContact CG2-CE1 3.5Å; I131-F141 VanDerWaalsContact CG2-CE1 3.5Å; I131-F141 HydrophobicContact CG2-CE2 4.29Å; I131-F141 HydrophobicContact CG2-CZ 3.51Å; I131-F141 PolarHBondContact N-O 3.27Å; I131-F141 PolarHBondContact O-N 3.41Å; M133-F141 HydrophobicContact CG-CD1 4.3Å; M133-F141 HydrophobicContact CG-CE1 3.99Å; M133-F141 HydrophobicContact SD-CD1 4.29Å; M133-F141 HydrophobicContact SD-CE1 4.05Å; F141-L143 HydrophobicContact CE2-CB 4.12Å; F141-L143 HydrophobicContact CE2-CD1 4.43Å; F141-N175 CarbonylContact C-O 3.58Å; F141-N175 VanDerWaalsContact CA-O 3.24Å; F141-N175 WeakPolarHBondContact CA-O 3.48Å; F141-N175 HydrophobicContact CB-CB 3.85Å; F141-N175 WeakPolarHBondContact CB-O 3.35Å; F141-I177 HydrophobicContact CD2-CD1 3.99Å; F141-I177 HydrophobicContact CD2-CG1 4.07Å; F141-I177 HydrophobicContact CE2-CD1 3.73Å; F141-I177 HydrophobicContact CE2-CG1 4.24Å; F141-I177 HydrophobicContact CZ-CD1 4.35Å
142G98.2Very high94.3Very high0 Ų043.6 Ų43.60%024%0.239CC..EExtended strand (participates in β ladder)trans-85.2136.1168.800000110.4I173 N175 L176 I177G142-I173 VanDerWaalsContact CA-CD1 3.49Å; G142-I173 VanDerWaalsContact N-CD1 3.3Å; G142-N175 PolarHBondContact N-O 3.46Å; G142-L176 CarbonylContact O-C 3.5Å; G142-L176 VanDerWaalsContact O-CA 3.24Å; G142-L176 WeakPolarHBondContact O-CA 3.48Å; G142-I177 PolarHBondContact O-N 3.1Å
143L98.5Very high94.3Very high0 Ų040.1 Ų40.10%022%0.224CC..EExtended strand (participates in β ladder)trans-112.8119.9171.7-179.369.4000108.8L52 V54 L100 A128 V129 I131 F141 I177 L179L52-L143 HydrophobicContact CD1-CD2 4.47Å; L52-L143 HydrophobicContact CD2-CD2 3.61Å; V54-L143 HydrophobicContact CG1-CD2 3.93Å; L100-L143 HydrophobicContact CD1-CD2 4.07Å; A128-L143 CarbonylContact C-O 3.57Å; A128-L143 VanDerWaalsContact CA-O 3.3Å; A128-L143 WeakPolarHBondContact CA-O 3.37Å; V129-L143 PolarHBondContact N-O 2.98Å; V129-L143 PolarHBondContact O-N 2.94Å; I131-L143 HydrophobicContact CD1-CB 4.46Å; I131-L143 HydrophobicContact CD1-CD2 4.47Å; I131-L143 HydrophobicContact CG1-CB 3.83Å; I131-L143 HydrophobicContact CG1-CD2 4.47Å; F141-L143 HydrophobicContact CE2-CB 4.12Å; F141-L143 HydrophobicContact CE2-CD1 4.43Å; L143-I177 CarbonylContact C-O 3.51Å; L143-I177 WeakPolarHBondContact CA-O 3.26Å; L143-I177 HydrophobicContact CD1-CB 4Å; L143-I177 HydrophobicContact CD1-CG2 4.22Å; L143-L179 HydrophobicContact CD1-CD1 4.28Å; L143-L179 HydrophobicContact CD1-CD2 3.5Å; L143-L179 HydrophobicContact CD1-CG 3.79Å
144I98.2Very high94.5Very high0 Ų041 Ų410%023%0.231CC..EExtended strand (participates in β ladder)trans-111.1115.5176.7-61.6-176.8000109F115 P126 M127 A128 I146 L160 V164 V167 L176 I177 I178 L179F115-I144 HydrophobicContact CE2-CD1 4.46Å; F115-I144 HydrophobicContact CZ-CD1 4.39Å; P126-I144 HydrophobicContact CB-CG2 3.8Å; M127-I144 WeakPolarHBondContact O-CA 3.48Å; A128-I144 HydrophobicContact CB-CG1 3.95Å; I144-I146 HydrophobicContact CG2-CG2 4.05Å; I144-L160 HydrophobicContact CG2-CD1 4.01Å; I144-V164 HydrophobicContact CD1-CB 4.21Å; I144-V164 HydrophobicContact CD1-CG1 4.45Å; I144-V164 HydrophobicContact CD1-CG2 3.64Å; I144-V167 HydrophobicContact CD1-CG1 4.35Å; I144-L176 HydrophobicContact CD1-CD1 3.8Å; I144-L176 HydrophobicContact CD1-CD2 4.13Å; I144-L176 HydrophobicContact CD1-CG 4.4Å; I144-L176 HydrophobicContact CG1-CD1 4.25Å; I144-L176 HydrophobicContact CG1-CD2 4.37Å; I144-I177 PolarHBondContact N-O 3.08Å; I144-I178 HydrophobicContact CB-CG1 4.41Å; I144-I178 CarbonylContact O-C 3.46Å; I144-I178 WeakPolarHBondContact O-CA 3.17Å; I144-L179 PolarHBondContact O-N 3.46Å
145V98.2Very high94.7Very high0 Ų041.6 Ų41.60%024%0.235CC..EExtended strand (participates in β ladder)trans-91.1130176.5-170.10000109.1V54 Q56 Y98 P126 M127 L179V54-V145 HydrophobicContact CB-CG1 4.12Å; V54-V145 HydrophobicContact CB-CG2 3.97Å; V54-V145 HydrophobicContact CG1-CG2 3.57Å; V54-V145 HydrophobicContact CG2-CG1 3.96Å; V54-V145 HydrophobicContact CG2-CG2 4.12Å; Q56-V145 HydrophobicContact CG-CG1 4.36Å; Y98-V145 HydrophobicContact CD1-CG1 3.62Å; Y98-V145 HydrophobicContact CE1-CG1 4.01Å; Y98-V145 HydrophobicContact CG-CB 4.4Å; Y98-V145 HydrophobicContact CG-CG1 3.89Å; P126-V145 WeakPolarHBondContact CA-O 3.06Å; M127-V145 HydrophobicContact CB-CB 4.49Å; M127-V145 HydrophobicContact CE-CB 4.27Å; M127-V145 HydrophobicContact CE-CG2 3.79Å; M127-V145 PolarHBondContact N-O 3.31Å; M127-V145 PolarHBondContact O-N 2.63Å; V145-L179 WeakPolarHBondContact CA-O 3.35Å
146I97.6Very high95.2Very high1 Ų134 Ų341%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-126.9149.9-178.859167.7000111.8P126 I144 L148 L160 I178 L179 G180 D181 M182P126-I146 HydrophobicContact CB-CG2 4.02Å; P126-I146 HydrophobicContact CG-CG2 4.12Å; I144-I146 HydrophobicContact CG2-CG2 4.05Å; I146-L148 HydrophobicContact CB-CD2 4.19Å; I146-L148 HydrophobicContact CD1-CG 4.41Å; I146-L160 HydrophobicContact CD1-CD2 4.14Å; I146-L160 HydrophobicContact CG2-CD1 3.81Å; I146-L160 HydrophobicContact CG2-CD2 3.87Å; I146-I178 HydrophobicContact CD1-CG2 3.93Å; I146-I178 HydrophobicContact CG1-CG2 4.27Å; I146-I178 HydrophobicContact CG2-CG2 4.06Å; I146-L179 WeakPolarHBondContact CG1-O 3.28Å; I146-L179 PolarHBondContact N-O 3.22Å; I146-L179 VanDerWaalsContact N-O 3.08Å; I146-G180 WeakPolarHBondContact O-CA 3.42Å; I146-D181 PolarHBondContact O-N 3.12Å; I146-M182 HydrophobicContact CD1-CB 3.77Å; I146-M182 HydrophobicContact CD1-CG 3.74Å; I146-M182 HydrophobicContact CD1-SD 4.28Å
147H97Very high95.8Very high6 Ų632.2 Ų32.23%0.02819%0.187CC..EExtended strand (participates in β ladder)trans-144.286.8161.2-177.3-163.3000107.5Q56 E57 E96 Y98 R124 D181Q56-H147 HydrophobicContact CB-CB 4.44Å; Q56-H147 HydrophobicContact CG-CB 4.19Å; E57-H147 WeakPolarHBondContact CG-CE1 3.39Å; E57-H147 IonicContact OE1-CE1 3.44Å; E57-H147 PolarHBondContact OE1-CE1 3.49Å; E57-H147 IonicContact OE1-NE2 2.69Å; E96-H147 IonicContact OE2-CE1 3.87Å; E96-H147 PolarHBondContact OE2-CE1 3.07Å; E96-H147 IonicContact OE2-ND1 2.74Å; E96-H147 PolarHBondContact OE2-ND1 3.48Å; Y98-H147 HydrophobicContact CE1-CB 3.91Å; Y98-H147 PolarHBondContact OH-N 3.41Å; R124-H147 PolarHBondContact NE-ND1 3.24Å; R124-H147 VanDerWaalsContact NE-ND1 3.14Å; R124-H147 PolarHBondContact NE-O 3.3Å; R124-H147 PolarHBondContact NH1-CE1 2.83Å; R124-H147 PolarHBondContact NH2-CD2 2.75Å; R124-H147 PolarHBondContact NH2-NE2 3.41Å; R124-H147 PolarHBondContact NH2-O 3.26Å; H147-D181 CarbonylContact C-O 3.58Å; H147-D181 VanDerWaalsContact CA-O 3.24Å; H147-D181 WeakPolarHBondContact CA-O 3.36Å; H147-D181 IonicContact CD2-OD2 3.64Å; H147-D181 IonicContact NE2-OD2 3.63Å
148L96.9Very high96.4Very high0 Ų029.5 Ų29.50%016%0.16CC..  trans-73.4147.9-172.1-57-166.3000111.6F122 R124 I146 E156 A157 D181 M182 N183F122-L148 HydrophobicContact CD1-CD2 4.45Å; F122-L148 HydrophobicContact CE1-CD2 4.46Å; R124-L148 PolarHBondContact NH2-O 3.37Å; I146-L148 HydrophobicContact CB-CD2 4.19Å; I146-L148 HydrophobicContact CD1-CG 4.41Å; L148-E156 WeakPolarHBondContact CA-OE2 3.16Å; L148-E156 HydrophobicContact CB-CB 4.46Å; L148-E156 HydrophobicContact CD1-CB 4.23Å; L148-E156 HydrophobicContact CD2-CB 3.99Å; L148-E156 HydrophobicContact CG-CB 4.45Å; L148-A157 HydrophobicContact CD1-CB 3.95Å; L148-D181 PolarHBondContact N-O 2.94Å; L148-M182 HydrophobicContact CD1-CE 4.19Å; L148-M182 HydrophobicContact CD1-CG 3.55Å; L148-M182 HydrophobicContact CG-CG 4.11Å; L148-N183 PolarHBondContact O-ND2 2.89Å
149D95.4Very high96.9Very high18 Ų1831 Ų3110%0.09617%0.167CC..  trans-67.2120.9174.3178.517.6000110.9E123 D151 S152 V153 E156E123-D149 HydrophobicContact CB-CB 3.88Å; D149-D151 PolarHBondContact O-N 3.1Å; D149-D151 VanDerWaalsContact O-N 3.15Å; D149-D151 PolarHBondContact OD1-N 3.48Å; D149-S152 CarbonylContact O-C 3.47Å; D149-S152 PolarHBondContact O-N 3.44Å; D149-S152 PolarHBondContact OD2-OG 2.82Å; D149-V153 VanDerWaalsContact O-CG2 3.27Å; D149-V153 WeakPolarHBondContact O-CG2 3.48Å; D149-V153 PolarHBondContact O-N 3.45Å; D149-E156 WeakPolarHBondContact CB-OE1 3.33Å; D149-E156 PolarHBondContact N-OE2 3.46Å
150P96.3Very high97.1Very high37 Ų3725.8 Ų25.824%0.2414%0.138CC..THydrogen-bonded Turntrans-57.8-26.317823.1-34.8000113.6S152 N183 Y188P150-S152 VanDerWaalsContact C-N 3.35Å; P150-N183 HydrophobicContact CB-CB 4.27Å; P150-Y188 HydrophobicContact CB-CD1 3.56Å; P150-Y188 HydrophobicContact CB-CD2 4.18Å; P150-Y188 HydrophobicContact CB-CE1 3.59Å; P150-Y188 HydrophobicContact CB-CE2 4.2Å; P150-Y188 HydrophobicContact CB-CG 3.87Å
151D96Very high97.2Very high148 Ų14826.4 Ų26.479%0.79114%0.139SC*.THydrogen-bonded Turntrans-82.1-15.6178.3-67-35.6000112.9D149D149-D151 PolarHBondContact O-N 3.1Å; D149-D151 VanDerWaalsContact O-N 3.15Å; D149-D151 PolarHBondContact OD1-N 3.48Å
152S96Very high97.1Very high34 Ų3429.2 Ų29.224%0.23816%0.156CC..THydrogen-bonded Turntrans-130.219.2-172-52.30000113.9D149 P150 V154 Q155 E156D149-S152 CarbonylContact O-C 3.47Å; D149-S152 PolarHBondContact O-N 3.44Å; D149-S152 PolarHBondContact OD2-OG 2.82Å; P150-S152 VanDerWaalsContact C-N 3.35Å; S152-V154 VanDerWaalsContact C-N 3.32Å; S152-V154 PolarHBondContact O-N 2.86Å; S152-V154 VanDerWaalsContact O-N 3.12Å; S152-Q155 PolarHBondContact O-N 3.25Å; S152-E156 PolarHBondContact O-N 3.08Å
153V97.9Very high96.9Very high3 Ų329.4 Ų29.42%0.01816%0.157CC..Hα-helixtrans-49.6-45.4-172.7-178.50000113.6D149 Q155 A157 M182 N183 L189D149-V153 VanDerWaalsContact O-CG2 3.27Å; D149-V153 WeakPolarHBondContact O-CG2 3.48Å; D149-V153 PolarHBondContact O-N 3.45Å; V153-Q155 PolarHBondContact O-N 2.92Å; V153-A157 WeakPolarHBondContact O-CB 3.2Å; V153-A157 PolarHBondContact O-N 2.83Å; V153-M182 WeakPolarHBondContact CG1-O 3.49Å; V153-N183 HydrophobicContact CG2-CB 3.71Å; V153-L189 HydrophobicContact CG1-CB 4.18Å; V153-L189 HydrophobicContact CG1-CD1 4.17Å; V153-L189 HydrophobicContact CG1-CD2 4.13Å; V153-L189 HydrophobicContact CG1-CG 4.39Å
154V98.1Very high96.8Very high52 Ų5229.4 Ų29.432%0.31516%0.157SC..Hα-helixtrans-64.3-42.9-178.7175.60000111.9S152 N158 L189 K193 L197S152-V154 VanDerWaalsContact C-N 3.32Å; S152-V154 PolarHBondContact O-N 2.86Å; S152-V154 VanDerWaalsContact O-N 3.12Å; V154-N158 WeakPolarHBondContact O-CB 3.44Å; V154-N158 PolarHBondContact O-N 2.83Å; V154-N158 PolarHBondContact O-ND2 3.25Å; V154-L189 HydrophobicContact CG2-CD1 3.57Å; V154-K193 HydrophobicContact CG2-CB 4.06Å; V154-K193 HydrophobicContact CG2-CD 3.97Å; V154-K193 HydrophobicContact CG2-CG 4.32Å; V154-L197 HydrophobicContact CG1-CD2 4.34Å
155Q96.5Very high96.7Very high111 Ų11132.7 Ų32.752%0.51917%0.171SC..Hα-helixtrans-66.7-52.8179.6176.5-176.4-3400109.8S152 V153 A157 N158 Q159S152-Q155 PolarHBondContact O-N 3.25Å; V153-Q155 PolarHBondContact O-N 2.92Å; Q155-A157 PolarHBondContact O-N 2.82Å; Q155-N158 PolarHBondContact O-N 3.29Å; Q155-Q159 PolarHBondContact O-N 2.74Å
156E96.8Very high96.5Very high4 Ų437.2 Ų37.22%0.01919%0.193CC..Hα-helixtrans-65.8-38.8-176.6-63.6-163.317100112.2F122 E123 L148 D149 S152 N158 Q159 L160F122-E156 WeakPolarHBondContact CA-OE1 3.33Å; F122-E156 HydrophobicContact CD1-CB 3.85Å; F122-E156 HydrophobicContact CD1-CG 4.01Å; F122-E156 HydrophobicContact CE1-CB 4.06Å; F122-E156 WeakPolarHBondContact CE1-O 3.42Å; E123-E156 PolarHBondContact N-OE1 3.07Å; L148-E156 WeakPolarHBondContact CA-OE2 3.16Å; L148-E156 HydrophobicContact CB-CB 4.46Å; L148-E156 HydrophobicContact CD1-CB 4.23Å; L148-E156 HydrophobicContact CD2-CB 3.99Å; L148-E156 HydrophobicContact CG-CB 4.45Å; D149-E156 WeakPolarHBondContact CB-OE1 3.33Å; D149-E156 PolarHBondContact N-OE2 3.46Å; S152-E156 PolarHBondContact O-N 3.08Å; E156-N158 PolarHBondContact O-N 2.82Å; E156-Q159 PolarHBondContact O-N 2.93Å; E156-L160 VanDerWaalsContact O-CB 3.29Å; E156-L160 WeakPolarHBondContact O-CB 3.31Å; E156-L160 PolarHBondContact O-N 3.22Å
157A98Very high96.4Very high0 Ų037.1 Ų37.10%019%0.192CC..Hα-helixtrans-66.5-35.7177.100000113L148 V153 Q155 Y161 M182 L197L148-A157 HydrophobicContact CD1-CB 3.95Å; V153-A157 WeakPolarHBondContact O-CB 3.2Å; V153-A157 PolarHBondContact O-N 2.83Å; Q155-A157 PolarHBondContact O-N 2.82Å; A157-Y161 PolarHBondContact O-N 3.42Å; A157-M182 HydrophobicContact CB-CE 3.55Å; A157-L197 HydrophobicContact CB-CD1 3.94Å; A157-L197 HydrophobicContact CB-CD2 3.97Å
158N97.6Very high96.3Very high40 Ų4038.1 Ų38.121%0.21420%0.197CC..Hα-helixtrans-73-33.6174.6-77.9-37.9000111.9V154 Q155 E156 Y161 H198V154-N158 WeakPolarHBondContact O-CB 3.44Å; V154-N158 PolarHBondContact O-N 2.83Å; V154-N158 PolarHBondContact O-ND2 3.25Å; Q155-N158 PolarHBondContact O-N 3.29Å; E156-N158 PolarHBondContact O-N 2.82Å; N158-Y161 WeakPolarHBondContact O-CB 3.28Å; N158-Y161 PolarHBondContact O-N 3.36Å; N158-H198 PolarHBondContact OD1-N 3.49Å; N158-H198 VanDerWaalsContact OD1-N 3.09Å
159Q96.3Very high96.3Very high43 Ų4346.8 Ų46.820%0.20124%0.235CC..Hα-helixtrans-69.2-38.7172.6-175.956.948.800112L121 F122 Q155 E156 Y161 T162 S163L121-Q159 HydrophobicContact CB-CG 4.09Å; L121-Q159 HydrophobicContact CD1-CG 3.84Å; L121-Q159 HydrophobicContact CD2-CG 4.44Å; L121-Q159 HydrophobicContact CG-CG 4.37Å; F122-Q159 HydrophobicContact CD2-CG 4.46Å; F122-Q159 HydrophobicContact CE1-CB 4.26Å; F122-Q159 HydrophobicContact CE1-CG 4.36Å; F122-Q159 HydrophobicContact CE2-CB 4.32Å; F122-Q159 HydrophobicContact CE2-CG 3.55Å; F122-Q159 HydrophobicContact CZ-CB 3.81Å; F122-Q159 HydrophobicContact CZ-CG 3.5Å; F122-Q159 VanDerWaalsContact CZ-CG 3.5Å; Q155-Q159 PolarHBondContact O-N 2.74Å; E156-Q159 PolarHBondContact O-N 2.93Å; Q159-Y161 PolarHBondContact O-N 3.36Å; Q159-T162 WeakPolarHBondContact O-CB 2.96Å; Q159-T162 PolarHBondContact O-N 2.79Å; Q159-S163 PolarHBondContact O-N 3.28Å; Q159-S163 PolarHBondContact O-OG 3.3Å
160L96.9Very high96.3Very high0 Ų051.2 Ų51.20%026%0.256CS..Hα-helixtrans-55.9-39.6175.2175.863.3000111.4F122 P126 I144 I146 E156 T162 S163 V164 I178 L199F122-L160 HydrophobicContact CE1-CB 4.29Å; F122-L160 HydrophobicContact CZ-CB 4.4Å; P126-L160 HydrophobicContact CB-CD1 4.28Å; P126-L160 HydrophobicContact CG-CD1 3.86Å; I144-L160 HydrophobicContact CG2-CD1 4.01Å; I146-L160 HydrophobicContact CD1-CD2 4.14Å; I146-L160 HydrophobicContact CG2-CD1 3.81Å; I146-L160 HydrophobicContact CG2-CD2 3.87Å; E156-L160 VanDerWaalsContact O-CB 3.29Å; E156-L160 WeakPolarHBondContact O-CB 3.31Å; E156-L160 PolarHBondContact O-N 3.22Å; L160-T162 VanDerWaalsContact C-N 3.32Å; L160-T162 PolarHBondContact O-N 2.87Å; L160-S163 PolarHBondContact O-N 3.41Å; L160-V164 HydrophobicContact CD1-CG2 3.98Å; L160-V164 HydrophobicContact CG-CG2 4.16Å; L160-V164 WeakPolarHBondContact O-CB 3.47Å; L160-V164 WeakPolarHBondContact O-CG2 3.35Å; L160-V164 PolarHBondContact O-N 3Å; L160-I178 HydrophobicContact CD2-CG2 4.04Å; L160-L199 HydrophobicContact CB-CD1 4.48Å; L160-L199 HydrophobicContact CD2-CD1 3.85Å; L160-L199 HydrophobicContact CG-CD1 4.13Å
161Y97.6Very high96.3Very high56 Ų5650.6 Ų50.622%0.2225%0.249CC..Hα-helixtrans-55-46.3174.1179.7-97.1000112.4A157 N158 Q159 V164 K165 H198 L199 D202 F205A157-Y161 PolarHBondContact O-N 3.42Å; N158-Y161 WeakPolarHBondContact O-CB 3.28Å; N158-Y161 PolarHBondContact O-N 3.36Å; Q159-Y161 PolarHBondContact O-N 3.36Å; Y161-V164 PolarHBondContact O-N 3.35Å; Y161-K165 HydrophobicContact CE1-CG 4.46Å; Y161-K165 WeakPolarHBondContact O-CG 3.46Å; Y161-K165 PolarHBondContact O-N 3.3Å; Y161-K165 WeakPolarHBondContact OH-CE 3.13Å; Y161-H198 HydrophobicContact CD1-CB 3.73Å; Y161-H198 HydrophobicContact CD2-CB 3.72Å; Y161-H198 HydrophobicContact CE1-CB 4.18Å; Y161-H198 HydrophobicContact CE2-CB 4.17Å; Y161-H198 HydrophobicContact CG-CB 3.47Å; Y161-H198 VanDerWaalsContact CG-CB 3.47Å; Y161-L199 HydrophobicContact CD2-CD2 4.02Å; Y161-L199 HydrophobicContact CD2-CG 4.15Å; Y161-D202 HydrophobicContact CE2-CB 3.86Å; Y161-D202 WeakPolarHBondContact CE2-OD2 3.49Å; Y161-D202 PolarHBondContact OH-OD2 2.75Å; Y161-F205 AromaticContact CD2-CE2 3.99Å; Y161-F205 HydrophobicContact CD2-CE2 3.99Å; Y161-F205 HydrophobicContact CE2-CD2 4.2Å; Y161-F205 AromaticContact CE2-CE2 3.63Å; Y161-F205 HydrophobicContact CE2-CE2 3.63Å; Y161-F205 HydrophobicContact CE2-CZ 4.49Å
162T95.4Very high96.3Very high60 Ų6050.9 Ų50.937%0.36825%0.251SS..Hα-helixtrans-63.4-48.9177.2-55.50000111Q159 L160 V164 K165 E166Q159-T162 WeakPolarHBondContact O-CB 2.96Å; Q159-T162 PolarHBondContact O-N 2.79Å; L160-T162 VanDerWaalsContact C-N 3.32Å; L160-T162 PolarHBondContact O-N 2.87Å; T162-V164 VanDerWaalsContact C-N 3.31Å; T162-V164 PolarHBondContact O-N 2.96Å; T162-K165 PolarHBondContact O-N 2.97Å; T162-K165 VanDerWaalsContact O-N 3.15Å; T162-E166 WeakPolarHBondContact O-CG 3.24Å; T162-E166 PolarHBondContact O-N 3.21Å
163S94.4Very high96.3Very high4 Ų449.8 Ų49.83%0.02824%0.242CC..Hα-helixtrans-59.6-38.4178.9-65.80000112.9F115 Q159 L160 E166 V167F115-S163 VanDerWaalsContact CE1-CB 3.47Å; F115-S163 WeakPolarHBondContact CE1-O 3.37Å; F115-S163 VanDerWaalsContact CZ-O 3.25Å; F115-S163 WeakPolarHBondContact CZ-O 3.43Å; Q159-S163 PolarHBondContact O-N 3.28Å; Q159-S163 PolarHBondContact O-OG 3.3Å; L160-S163 PolarHBondContact O-N 3.41Å; S163-E166 WeakPolarHBondContact O-CB 3.44Å; S163-E166 PolarHBondContact O-N 3.47Å; S163-V167 PolarHBondContact O-N 3.28Å
164V96.1Very high96.2Very high0 Ų056.7 Ų56.70%027%0.274CS..Hα-helixtrans-62.1-46.8175.4171.50000111I144 L160 Y161 T162 E166 V167 M168 L176 I178 F205I144-V164 HydrophobicContact CD1-CB 4.21Å; I144-V164 HydrophobicContact CD1-CG1 4.45Å; I144-V164 HydrophobicContact CD1-CG2 3.64Å; L160-V164 HydrophobicContact CD1-CG2 3.98Å; L160-V164 HydrophobicContact CG-CG2 4.16Å; L160-V164 WeakPolarHBondContact O-CB 3.47Å; L160-V164 WeakPolarHBondContact O-CG2 3.35Å; L160-V164 PolarHBondContact O-N 3Å; Y161-V164 PolarHBondContact O-N 3.35Å; T162-V164 VanDerWaalsContact C-N 3.31Å; T162-V164 PolarHBondContact O-N 2.96Å; V164-E166 VanDerWaalsContact C-N 3.31Å; V164-E166 PolarHBondContact O-N 3.19Å; V164-V167 PolarHBondContact O-N 3.4Å; V164-M168 HydrophobicContact CG1-CG 4.44Å; V164-M168 HydrophobicContact CG1-SD 3.98Å; V164-M168 VanDerWaalsContact O-CG 3.29Å; V164-M168 WeakPolarHBondContact O-CG 3.27Å; V164-M168 PolarHBondContact O-N 3.29Å; V164-L176 HydrophobicContact CG1-CD1 3.98Å; V164-L176 HydrophobicContact CG1-CD2 3.89Å; V164-I178 HydrophobicContact CG1-CD1 4.48Å; V164-I178 HydrophobicContact CG2-CD1 3.52Å; V164-I178 HydrophobicContact CG2-CG1 4.12Å; V164-F205 HydrophobicContact CG1-CE1 3.74Å; V164-F205 HydrophobicContact CG1-CZ 3.73Å
165K95.9Very high96.2Very high69 Ų6954.9 Ų54.930%0.326%0.263SS..Hα-helixtrans-65.1-35.5178.8-62.2-66.4-174-178.30111.6Y161 T162 M168 K169 D202Y161-K165 HydrophobicContact CE1-CG 4.46Å; Y161-K165 WeakPolarHBondContact O-CG 3.46Å; Y161-K165 PolarHBondContact O-N 3.3Å; Y161-K165 WeakPolarHBondContact OH-CE 3.13Å; T162-K165 PolarHBondContact O-N 2.97Å; T162-K165 VanDerWaalsContact O-N 3.15Å; K165-M168 HydrophobicContact CD-SD 4.34Å; K165-M168 PolarHBondContact O-N 3.12Å; K165-K169 WeakPolarHBondContact O-CB 3.14Å; K165-K169 PolarHBondContact O-N 3.26Å; K165-D202 IonicContact NZ-OD2 3.69Å; K165-D202 PolarHBondContact NZ-OD2 3.48Å
166E94.3Very high96.3Very high95 Ų9549.6 Ų49.644%0.44424%0.238SC..Hα-helixtrans-60.8-48.6173.3-71.8173.317500111.9T162 S163 V164 K169 M170T162-E166 WeakPolarHBondContact O-CG 3.24Å; T162-E166 PolarHBondContact O-N 3.21Å; S163-E166 WeakPolarHBondContact O-CB 3.44Å; S163-E166 PolarHBondContact O-N 3.47Å; V164-E166 VanDerWaalsContact C-N 3.31Å; V164-E166 PolarHBondContact O-N 3.19Å; E166-K169 PolarHBondContact O-N 3.48Å; E166-M170 WeakPolarHBondContact O-CB 3.16Å; E166-M170 PolarHBondContact O-N 3.16Å
167V94.7Very high96.4Very high0 Ų049.9 Ų49.90%024%0.239CC..Hα-helixtrans-64-41.9177.6151.30000112.2F115 A128 I144 S163 V164 K169 M170 W171 L176F115-V167 HydrophobicContact CE1-CB 4.47Å; F115-V167 HydrophobicContact CE1-CG2 3.57Å; F115-V167 HydrophobicContact CE2-CG2 4.15Å; F115-V167 HydrophobicContact CZ-CB 3.99Å; F115-V167 HydrophobicContact CZ-CG2 3.17Å; A128-V167 HydrophobicContact CB-CG1 4.23Å; A128-V167 HydrophobicContact CB-CG2 3.7Å; I144-V167 HydrophobicContact CD1-CG1 4.35Å; S163-V167 PolarHBondContact O-N 3.28Å; V164-V167 PolarHBondContact O-N 3.4Å; V167-K169 VanDerWaalsContact C-N 3.27Å; V167-K169 PolarHBondContact O-N 3.35Å; V167-M170 PolarHBondContact O-N 2.91Å; V167-W171 HydrophobicContact CG1-CD2 4.12Å; V167-W171 HydrophobicContact CG1-CE3 3.46Å; V167-W171 VanDerWaalsContact CG1-CE3 3.46Å; V167-W171 HydrophobicContact CG1-CH2 4.05Å; V167-W171 HydrophobicContact CG1-CZ3 3.41Å; V167-W171 VanDerWaalsContact CG1-CZ3 3.41Å; V167-W171 PolarHBondContact O-N 3.09Å; V167-L176 HydrophobicContact CG1-CD1 4.14Å
168M96.1Very high96.4Very high26 Ų2650 Ų5013%0.12824%0.24CC..Hα-helixtrans-58.9-41.2175.8-72.5173.565.900112V164 K165 N172 I173 L176 H230V164-M168 HydrophobicContact CG1-CG 4.44Å; V164-M168 HydrophobicContact CG1-SD 3.98Å; V164-M168 VanDerWaalsContact O-CG 3.29Å; V164-M168 WeakPolarHBondContact O-CG 3.27Å; V164-M168 PolarHBondContact O-N 3.29Å; K165-M168 HydrophobicContact CD-SD 4.34Å; K165-M168 PolarHBondContact O-N 3.12Å; M168-N172 VanDerWaalsContact O-CA 3.3Å; M168-N172 WeakPolarHBondContact O-CA 3.49Å; M168-N172 PolarHBondContact O-N 3.21Å; M168-I173 HydrophobicContact CG-CG1 4.5Å; M168-I173 PolarHBondContact O-N 2.64Å; M168-L176 HydrophobicContact CG-CD1 3.84Å; M168-H230 WeakPolarHBondContact CE-CE1 3.33Å; M168-H230 WeakPolarHBondContact CE-ND1 3.45Å
169K96.2Very high96.5Very high183 Ų18348.1 Ų48.180%0.79623%0.23SC*.Hα-helixtrans-68.5-45.5175.8-178.3179.2177.1-1770111.8K165 E166 V167 W171 N172K165-K169 WeakPolarHBondContact O-CB 3.14Å; K165-K169 PolarHBondContact O-N 3.26Å; E166-K169 PolarHBondContact O-N 3.48Å; V167-K169 VanDerWaalsContact C-N 3.27Å; V167-K169 PolarHBondContact O-N 3.35Å; K169-W171 VanDerWaalsContact C-N 3.34Å; K169-W171 PolarHBondContact O-N 2.89Å; K169-N172 PolarHBondContact O-N 2.59Å
170M95.1Very high96.5Very high111 Ų11146 Ų4655%0.54722%0.22SC..Hα-helixtrans-57.8-45.2-178.8-177.6-176.7-68.500111.9V113 E166 V167V113-M170 HydrophobicContact CG2-SD 4.12Å; E166-M170 WeakPolarHBondContact O-CB 3.16Å; E166-M170 PolarHBondContact O-N 3.16Å; V167-M170 PolarHBondContact O-N 2.91Å
171W96.5Very high96.6Very high24 Ų2446 Ų469%0.09122%0.22CC..Hα-helixtrans-96.30.4-178-60.6-26.3000114.2E111 V113 A128 Q130 V167 K169 I173E111-W171 HydrophobicContact CB-CZ2 4.35Å; E111-W171 PolarHBondContact OE2-NE1 3.4Å; V113-W171 HydrophobicContact CB-CZ2 4.39Å; V113-W171 HydrophobicContact CG2-CZ2 3.93Å; A128-W171 HydrophobicContact CB-CH2 3.51Å; A128-W171 HydrophobicContact CB-CZ2 4.37Å; A128-W171 HydrophobicContact CB-CZ3 4.08Å; Q130-W171 HydrophobicContact CB-CD2 4.27Å; Q130-W171 HydrophobicContact CB-CE3 4.15Å; Q130-W171 HydrophobicContact CB-CH2 4.29Å; Q130-W171 HydrophobicContact CB-CZ2 4.39Å; Q130-W171 HydrophobicContact CB-CZ3 4.17Å; Q130-W171 HydrophobicContact CG-CE3 4.48Å; V167-W171 HydrophobicContact CG1-CD2 4.12Å; V167-W171 HydrophobicContact CG1-CE3 3.46Å; V167-W171 VanDerWaalsContact CG1-CE3 3.46Å; V167-W171 HydrophobicContact CG1-CH2 4.05Å; V167-W171 HydrophobicContact CG1-CZ3 3.41Å; V167-W171 VanDerWaalsContact CG1-CZ3 3.41Å; V167-W171 PolarHBondContact O-N 3.09Å; K169-W171 VanDerWaalsContact C-N 3.34Å; K169-W171 PolarHBondContact O-N 2.89Å; W171-I173 VanDerWaalsContact C-N 3.29Å; W171-I173 HydrophobicContact CB-CD1 4.43Å; W171-I173 HydrophobicContact CB-CG1 4.13Å; W171-I173 HydrophobicContact CB-CG2 4Å; W171-I173 HydrophobicContact CE3-CD1 3.8Å; W171-I173 WeakPolarHBondContact O-CG2 3.06Å; W171-I173 PolarHBondContact O-N 3.02Å
172N96.5Very high96.6Very high153 Ų15343.4 Ų43.482%0.81821%0.21SC*.THydrogen-bonded Turntrans49.149.2-173.9-170.438.2000112.5M168 K169M168-N172 VanDerWaalsContact O-CA 3.3Å; M168-N172 WeakPolarHBondContact O-CA 3.49Å; M168-N172 PolarHBondContact O-N 3.21Å; K169-N172 PolarHBondContact O-N 2.59Å
173I96.3Very high96.7Very high11 Ų1140.5 Ų40.56%0.05619%0.192CC..  trans-113.8150-178.859.1167.7000111.8I140 G142 M168 W171 L176I140-I173 HydrophobicContact CD1-CG2 3.87Å; I140-I173 HydrophobicContact CG1-CG2 4.07Å; I140-I173 HydrophobicContact CG2-CG2 4.34Å; G142-I173 VanDerWaalsContact CA-CD1 3.49Å; G142-I173 VanDerWaalsContact N-CD1 3.3Å; M168-I173 HydrophobicContact CG-CG1 4.5Å; M168-I173 PolarHBondContact O-N 2.64Å; W171-I173 VanDerWaalsContact C-N 3.29Å; W171-I173 HydrophobicContact CB-CD1 4.43Å; W171-I173 HydrophobicContact CB-CG1 4.13Å; W171-I173 HydrophobicContact CB-CG2 4Å; W171-I173 HydrophobicContact CE3-CD1 3.8Å; W171-I173 WeakPolarHBondContact O-CG2 3.06Å; W171-I173 PolarHBondContact O-N 3.02Å; I173-L176 HydrophobicContact CD1-CD1 4.38Å
174Q95.8Very high96.8Very high149 Ų14940.3 Ų40.370%0.69619%0.191SC*.SBendtrans-109.6-26.6172.3-64.8-174-15.100113.1H230 G231Q174-H230 CarbonylContact O-C 3.56Å; Q174-H230 PolarHBondContact O-ND1 2.93Å; Q174-G231 VanDerWaalsContact O-CA 3.25Å; Q174-G231 WeakPolarHBondContact O-CA 3.29Å; Q174-G231 PolarHBondContact O-N 3.3Å
175N97.6Very high96.8Very high14 Ų1441.1 Ų41.18%0.07520%0.195CC..  trans-89.9123.3-179.7-62.8-49.5000109.5F141 G142 H230 Q233 L234F141-N175 CarbonylContact C-O 3.58Å; F141-N175 VanDerWaalsContact CA-O 3.24Å; F141-N175 WeakPolarHBondContact CA-O 3.48Å; F141-N175 HydrophobicContact CB-CB 3.85Å; F141-N175 WeakPolarHBondContact CB-O 3.35Å; G142-N175 PolarHBondContact N-O 3.46Å; N175-H230 WeakPolarHBondContact CA-O 3.32Å; N175-Q233 PolarHBondContact ND2-OE1 3.26Å; N175-L234 HydrophobicContact CB-CB 4.11Å; N175-L234 HydrophobicContact CB-CD2 4.25Å; N175-L234 PolarHBondContact OD1-N 2.82Å
176L98Very high96.8Very high0 Ų040.1 Ų40.10%020%0.197CC..EExtended strand (participates in β ladder)trans-148.7139.9-178.5-173.4145.3000111.2G142 I144 V164 V167 M168 I173 I178 H230G142-L176 CarbonylContact O-C 3.5Å; G142-L176 VanDerWaalsContact O-CA 3.24Å; G142-L176 WeakPolarHBondContact O-CA 3.48Å; I144-L176 HydrophobicContact CD1-CD1 3.8Å; I144-L176 HydrophobicContact CD1-CD2 4.13Å; I144-L176 HydrophobicContact CD1-CG 4.4Å; I144-L176 HydrophobicContact CG1-CD1 4.25Å; I144-L176 HydrophobicContact CG1-CD2 4.37Å; V164-L176 HydrophobicContact CG1-CD1 3.98Å; V164-L176 HydrophobicContact CG1-CD2 3.89Å; V167-L176 HydrophobicContact CG1-CD1 4.14Å; M168-L176 HydrophobicContact CG-CD1 3.84Å; I173-L176 HydrophobicContact CD1-CD1 4.38Å; L176-I178 HydrophobicContact CD2-CD1 4.21Å; L176-I178 HydrophobicContact CD2-CG1 3.43Å; L176-I178 VanDerWaalsContact CD2-CG1 3.43Å; L176-H230 HydrophobicContact CB-CB 4.27Å; L176-H230 PolarHBondContact N-O 3Å; L176-H230 PolarHBondContact O-N 3.38Å
177I98.5Very high96.8Very high9 Ų939.2 Ų39.25%0.04621%0.213CC..EExtended strand (participates in β ladder)trans-115.3125.8171.6-53.8176.3000108.2I21 F141 G142 L143 I144 L179 I227 I229 L234I21-I177 HydrophobicContact CD1-CD1 3.86Å; F141-I177 HydrophobicContact CD2-CD1 3.99Å; F141-I177 HydrophobicContact CD2-CG1 4.07Å; F141-I177 HydrophobicContact CE2-CD1 3.73Å; F141-I177 HydrophobicContact CE2-CG1 4.24Å; F141-I177 HydrophobicContact CZ-CD1 4.35Å; G142-I177 PolarHBondContact O-N 3.1Å; L143-I177 CarbonylContact C-O 3.51Å; L143-I177 WeakPolarHBondContact CA-O 3.26Å; L143-I177 HydrophobicContact CD1-CB 4Å; L143-I177 HydrophobicContact CD1-CG2 4.22Å; I144-I177 PolarHBondContact N-O 3.08Å; I177-L179 HydrophobicContact CG2-CB 4.31Å; I177-L179 HydrophobicContact CG2-CD2 3.66Å; I177-L179 HydrophobicContact CG2-CG 4.14Å; I177-I227 HydrophobicContact CG2-CG2 4.02Å; I177-I229 HydrophobicContact CB-CD1 4.19Å; I177-I229 HydrophobicContact CD1-CD1 4.44Å; I177-I229 HydrophobicContact CG1-CD1 3.78Å; I177-I229 HydrophobicContact CG2-CD1 3.81Å; I177-L234 HydrophobicContact CD1-CD1 4.38Å; I177-L234 HydrophobicContact CD1-CD2 4.27Å; I177-L234 HydrophobicContact CG1-CD2 3.55Å; I177-L234 HydrophobicContact CG1-CG 4.48Å
178I98.7Very high96.9Very high2 Ų243.1 Ų43.11%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-101.9128.7164.8-49.9171.9000106.6I144 I146 L160 V164 L176 L199 F205 I227 I228I144-I178 HydrophobicContact CB-CG1 4.41Å; I144-I178 CarbonylContact O-C 3.46Å; I144-I178 WeakPolarHBondContact O-CA 3.17Å; I146-I178 HydrophobicContact CD1-CG2 3.93Å; I146-I178 HydrophobicContact CG1-CG2 4.27Å; I146-I178 HydrophobicContact CG2-CG2 4.06Å; L160-I178 HydrophobicContact CD2-CG2 4.04Å; V164-I178 HydrophobicContact CG1-CD1 4.48Å; V164-I178 HydrophobicContact CG2-CD1 3.52Å; V164-I178 HydrophobicContact CG2-CG1 4.12Å; L176-I178 HydrophobicContact CD2-CD1 4.21Å; L176-I178 HydrophobicContact CD2-CG1 3.43Å; L176-I178 VanDerWaalsContact CD2-CG1 3.43Å; I178-L199 HydrophobicContact CD1-CD1 4.49Å; I178-L199 HydrophobicContact CD1-CD2 3.85Å; I178-F205 HydrophobicContact CD1-CD1 4.41Å; I178-F205 HydrophobicContact CD1-CE1 4.22Å; I178-I227 CarbonylContact O-C 3.57Å; I178-I227 WeakPolarHBondContact O-CA 3.45Å; I178-I228 HydrophobicContact CB-CB 4.16Å; I178-I228 HydrophobicContact CD1-CB 4.36Å; I178-I228 PolarHBondContact N-O 2.76Å; I178-I228 PolarHBondContact O-N 2.78Å
179L98.7Very high97Very high1 Ų142 Ų421%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-148.3149.4177.456.181.6000113.3I21 V54 L143 I144 V145 I146 I177 R226 I227I21-L179 HydrophobicContact CG2-CD2 3.74Å; V54-L179 HydrophobicContact CB-CD1 4.33Å; V54-L179 HydrophobicContact CG1-CD1 4.47Å; V54-L179 HydrophobicContact CG2-CD1 3.02Å; L143-L179 HydrophobicContact CD1-CD1 4.28Å; L143-L179 HydrophobicContact CD1-CD2 3.5Å; L143-L179 HydrophobicContact CD1-CG 3.79Å; I144-L179 PolarHBondContact O-N 3.46Å; V145-L179 WeakPolarHBondContact CA-O 3.35Å; I146-L179 WeakPolarHBondContact CG1-O 3.28Å; I146-L179 PolarHBondContact N-O 3.22Å; I146-L179 VanDerWaalsContact N-O 3.08Å; I177-L179 HydrophobicContact CG2-CB 4.31Å; I177-L179 HydrophobicContact CG2-CD2 3.66Å; I177-L179 HydrophobicContact CG2-CG 4.14Å; L179-R226 VanDerWaalsContact CA-O 3.27Å; L179-R226 WeakPolarHBondContact CA-O 3.47Å; L179-I227 HydrophobicContact CB-CG1 4.04Å
180G98.3Very high97Very high0 Ų035.8 Ų35.80%020%0.202CC..EExtended strand (participates in β ladder)trans139.9-175.8177.900000113.6S23 I146 M182 D225 R226S23-G180 VanDerWaalsContact OG-CA 3.31Å; S23-G180 WeakPolarHBondContact OG-CA 3.41Å; I146-G180 WeakPolarHBondContact O-CA 3.42Å; G180-M182 PolarHBondContact O-N 2.84Å; G180-M182 VanDerWaalsContact O-N 3.08Å; G180-D225 WeakPolarHBondContact O-CA 3.37Å; G180-R226 PolarHBondContact N-O 3.45Å; G180-R226 PolarHBondContact O-N 2.98Å
181D98Very high97.1Very high0 Ų038.4 Ų38.40%021%0.211CC..EExtended strand (participates in β ladder)trans-70.8100.3176.4-174-11.8000109.1N25 I146 H147 L148 N183 D225 R264N25-D181 HydrophobicContact CB-CB 4.25Å; N25-D181 PolarHBondContact ND2-OD2 3.08Å; I146-D181 PolarHBondContact O-N 3.12Å; H147-D181 CarbonylContact C-O 3.58Å; H147-D181 VanDerWaalsContact CA-O 3.24Å; H147-D181 WeakPolarHBondContact CA-O 3.36Å; H147-D181 IonicContact CD2-OD2 3.64Å; H147-D181 IonicContact NE2-OD2 3.63Å; L148-D181 PolarHBondContact N-O 2.94Å; D181-N183 VanDerWaalsContact OD1-CG 3.27Å; D181-N183 PolarHBondContact OD1-N 2.94Å; D181-N183 PolarHBondContact OD1-ND2 3.14Å; D181-N183 PolarHBondContact OD1-OD1 3.49Å; D181-D225 PolarHBondContact N-OD1 2.89Å; D181-R264 IonicContact OD2-NH1 2.84Å; D181-R264 PolarHBondContact OD2-NH1 3.02Å
182M98.1Very high97.1Very high0 Ų045.3 Ų45.30%024%0.241CC..  trans-91.4-7.2-179.8-161.6177.5175.400111.5I146 L148 V153 A157 G180 A184 L197 L199 W207 Y224 R226 I228I146-M182 HydrophobicContact CD1-CB 3.77Å; I146-M182 HydrophobicContact CD1-CG 3.74Å; I146-M182 HydrophobicContact CD1-SD 4.28Å; L148-M182 HydrophobicContact CD1-CE 4.19Å; L148-M182 HydrophobicContact CD1-CG 3.55Å; L148-M182 HydrophobicContact CG-CG 4.11Å; V153-M182 WeakPolarHBondContact CG1-O 3.49Å; A157-M182 HydrophobicContact CB-CE 3.55Å; G180-M182 PolarHBondContact O-N 2.84Å; G180-M182 VanDerWaalsContact O-N 3.08Å; M182-A184 HydrophobicContact CB-CB 3.82Å; M182-A184 HydrophobicContact CG-CB 3.81Å; M182-A184 PolarHBondContact O-N 2.79Å; M182-A184 VanDerWaalsContact O-N 3.12Å; M182-A184 HydrophobicContact SD-CB 3.93Å; M182-L197 HydrophobicContact CE-CD1 4.32Å; M182-L199 HydrophobicContact CE-CD1 4.03Å; M182-W207 HydrophobicContact CE-CH2 3.64Å; M182-W207 HydrophobicContact CE-CZ2 4.09Å; M182-W207 HydrophobicContact SD-CH2 3.51Å; M182-W207 VanDerWaalsContact SD-CH2 3.51Å; M182-W207 HydrophobicContact SD-CZ2 4.31Å; M182-W207 HydrophobicContact SD-CZ3 3.89Å; M182-Y224 PolarHBondContact N-O 3.21Å; M182-R226 HydrophobicContact CB-CB 4.17Å; M182-R226 HydrophobicContact CB-CG 3.98Å; M182-R226 HydrophobicContact SD-CB 4.14Å; M182-R226 HydrophobicContact SD-CG 4.1Å; M182-I228 HydrophobicContact CE-CD1 4.35Å; M182-I228 HydrophobicContact SD-CD1 3.9Å
183N97.6Very high97.2Very high0 Ų043.6 Ų43.60%023%0.226CC..  trans47.834.4-167.9-70.5-70000112.3L148 P150 V153 D181 D185 Y188 Y224L148-N183 PolarHBondContact O-ND2 2.89Å; P150-N183 HydrophobicContact CB-CB 4.27Å; V153-N183 HydrophobicContact CG2-CB 3.71Å; D181-N183 VanDerWaalsContact OD1-CG 3.27Å; D181-N183 PolarHBondContact OD1-N 2.94Å; D181-N183 PolarHBondContact OD1-ND2 3.14Å; D181-N183 PolarHBondContact OD1-OD1 3.49Å; N183-D185 PolarHBondContact O-N 3.18Å; N183-Y188 HydrophobicContact CB-CD2 3.75Å; N183-Y188 HydrophobicContact CB-CG 4.16Å; N183-Y188 WeakPolarHBondContact O-CB 3.48Å; N183-Y188 WeakPolarHBondContact OD1-CD2 3.4Å; N183-Y188 WeakPolarHBondContact OD1-CE2 3.36Å; N183-Y224 PolarHBondContact N-O 3.05Å
184A96.4Very high97.3Very high0 Ų043.4 Ų43.40%023%0.225CC..  trans-93.548.6-165.800000114.3M182 L189 W207 Y224 R226M182-A184 HydrophobicContact CB-CB 3.82Å; M182-A184 HydrophobicContact CG-CB 3.81Å; M182-A184 PolarHBondContact O-N 2.79Å; M182-A184 VanDerWaalsContact O-N 3.12Å; M182-A184 HydrophobicContact SD-CB 3.93Å; A184-L189 HydrophobicContact CB-CD2 3.93Å; A184-W207 HydrophobicContact CB-CH2 4.28Å; A184-W207 HydrophobicContact CB-CZ3 4.05Å; A184-Y224 PolarHBondContact N-O 2.89Å; A184-R226 HydrophobicContact CB-CG 3.93Å; A184-R226 PolarHBondContact O-NH2 3.28Å
185D96.6Very high97.3Very high16 Ų1639.1 Ų39.19%0.08621%0.212CC..SBendtrans-163.2-177.7172.9-151.4-7.8000112.7N183 G187 Y188 L189 C222 A223 Y224N183-D185 PolarHBondContact O-N 3.18Å; D185-G187 PolarHBondContact O-N 2.9Å; D185-Y188 PolarHBondContact O-N 3.24Å; D185-Y188 VanDerWaalsContact O-N 3.17Å; D185-L189 CarbonylContact C-O 3.44Å; D185-L189 PolarHBondContact O-N 2.78Å; D185-L189 VanDerWaalsContact O-N 3.08Å; D185-C222 HydrophobicContact CB-CB 4.47Å; D185-A223 HydrophobicContact CB-CB 4.44Å; D185-A223 PolarHBondContact OD2-N 3.28Å; D185-Y224 HydrophobicContact CB-CD1 4.1Å; D185-Y224 HydrophobicContact CB-CE1 4.33Å; D185-Y224 WeakPolarHBondContact O-CE1 3.27Å
186C95.1Very high97.4Very high49 Ų4943.4 Ų43.433%0.33123%0.231SC..THydrogen-bonded Turntrans50.4-128.8168.2-66.30000112.6Y188 D221 C222 Y224C186-Y188 VanDerWaalsContact C-N 3.31Å; C186-Y188 PolarHBondContact O-N 2.92Å; C186-D221 PolarHBondContact SG-O 3.39Å; C186-C222 HydrophobicContact CB-CB 4.05Å; C186-C222 WeakPolarHBondContact CB-SG 3.24Å; C186-C222 VanDerWaalsContact SG-CA 3.53Å; C186-C222 WeakPolarHBondContact SG-CB 3.37Å; C186-C222 CovalentContact SG-SG 2.04Å; C186-C222 PolarHBondContact SG-SG 3.15Å; C186-Y224 HydrophobicContact CB-CE1 3.94Å
187G94.3Very high97.4Very high76 Ų7643.4 Ų43.478%0.78423%0.231SC*.THydrogen-bonded Turntrans-68.4-26.2-17700000114.4D185D185-G187 PolarHBondContact O-N 2.9Å
188Y96.6Very high97.4Very high82 Ų8247.1 Ų47.132%0.32225%0.249SC..THydrogen-bonded Turntrans-82.9-35.7-176.4-56.9-41.2000112.1P150 N183 D185 C186 Y224P150-Y188 HydrophobicContact CB-CD1 3.56Å; P150-Y188 HydrophobicContact CB-CD2 4.18Å; P150-Y188 HydrophobicContact CB-CE1 3.59Å; P150-Y188 HydrophobicContact CB-CE2 4.2Å; P150-Y188 HydrophobicContact CB-CG 3.87Å; N183-Y188 HydrophobicContact CB-CD2 3.75Å; N183-Y188 HydrophobicContact CB-CG 4.16Å; N183-Y188 WeakPolarHBondContact O-CB 3.48Å; N183-Y188 WeakPolarHBondContact OD1-CD2 3.4Å; N183-Y188 WeakPolarHBondContact OD1-CE2 3.36Å; D185-Y188 PolarHBondContact O-N 3.24Å; D185-Y188 VanDerWaalsContact O-N 3.17Å; C186-Y188 VanDerWaalsContact C-N 3.31Å; C186-Y188 PolarHBondContact O-N 2.92Å; Y188-Y224 AromaticContact CD2-CD1 3.92Å; Y188-Y224 HydrophobicContact CD2-CD1 3.92Å; Y188-Y224 AromaticContact CD2-CE1 3.4Å; Y188-Y224 HydrophobicContact CD2-CE1 3.4Å; Y188-Y224 HydrophobicContact CD2-CE2 4.22Å; Y188-Y224 AromaticContact CD2-CZ 3.58Å; Y188-Y224 HydrophobicContact CE2-CD1 4.43Å; Y188-Y224 HydrophobicContact CE2-CD2 4.37Å; Y188-Y224 AromaticContact CE2-CE1 3.83Å; Y188-Y224 HydrophobicContact CE2-CE1 3.83Å; Y188-Y224 AromaticContact CE2-CE2 3.79Å; Y188-Y224 HydrophobicContact CE2-CE2 3.79Å; Y188-Y224 AromaticContact CE2-CZ 3.48Å; Y188-Y224 VanDerWaalsContact CE2-CZ 3.48Å; Y188-Y224 HydrophobicContact CG-CE1 4.38Å
189L97.6Very high97.4Very high1 Ų147 Ų471%0.00525%0.248CC..SBendtrans-143.1102.6179.1-171.570.3000111.7V153 V154 A184 D185 K193 M194 L197V153-L189 HydrophobicContact CG1-CB 4.18Å; V153-L189 HydrophobicContact CG1-CD1 4.17Å; V153-L189 HydrophobicContact CG1-CD2 4.13Å; V153-L189 HydrophobicContact CG1-CG 4.39Å; V154-L189 HydrophobicContact CG2-CD1 3.57Å; A184-L189 HydrophobicContact CB-CD2 3.93Å; D185-L189 CarbonylContact C-O 3.44Å; D185-L189 PolarHBondContact O-N 2.78Å; D185-L189 VanDerWaalsContact O-N 3.08Å; L189-K193 HydrophobicContact CD1-CB 3.68Å; L189-M194 HydrophobicContact CD2-CB 3.75Å; L189-M194 HydrophobicContact CD2-CG 3.84Å; L189-M194 HydrophobicContact CD2-SD 4.33Å; L189-M194 HydrophobicContact CG-CB 3.95Å; L189-L197 HydrophobicContact CD2-CD1 3.8Å
190S96.6Very high97.3Very high54 Ų5450.9 Ų50.938%0.37826%0.263SS..  trans-64.5150.3175.4740000112K192 K193 M194S190-K192 PolarHBondContact O-N 3.39Å; S190-K192 VanDerWaalsContact O-N 3.08Å; S190-K193 PolarHBondContact O-N 2.86Å; S190-K193 PolarHBondContact OG-N 3.12Å; S190-M194 PolarHBondContact O-N 2.74Å
191K96.5Very high97.3Very high166 Ų16656.3 Ų56.372%0.72229%0.286SS*.Hα-helixtrans-50.6-37.3177.1-65.9180179.81740113.4S195K191-S195 PolarHBondContact O-N 2.86Å
192K98Very high97.3Very high168 Ų16857.7 Ų57.773%0.7329%0.294SS*.Hα-helixtrans-64.8-45.7175.8-177.5179.9178.5179.90111.8S190 S195 Q196S190-K192 PolarHBondContact O-N 3.39Å; S190-K192 VanDerWaalsContact O-N 3.08Å; K192-S195 PolarHBondContact O-OG 3.49Å; K192-Q196 WeakPolarHBondContact O-CG 3.32Å
193K98.3Very high97.3Very high117 Ų11763.2 Ų63.251%0.50933%0.328SS..Hα-helixtrans-68.4-40.8177.4-73.7174.1170.6-1770110.9V154 L189 S190 S195 Q196 L197V154-K193 HydrophobicContact CG2-CB 4.06Å; V154-K193 HydrophobicContact CG2-CD 3.97Å; V154-K193 HydrophobicContact CG2-CG 4.32Å; L189-K193 HydrophobicContact CD1-CB 3.68Å; S190-K193 PolarHBondContact O-N 2.86Å; S190-K193 PolarHBondContact OG-N 3.12Å; K193-S195 PolarHBondContact O-N 3.45Å; K193-Q196 WeakPolarHBondContact O-CA 3.47Å; K193-Q196 WeakPolarHBondContact O-CB 3.41Å; K193-Q196 PolarHBondContact O-N 2.94Å; K193-L197 PolarHBondContact O-N 2.97Å
194M97.6Very high97.2Very high7 Ų767.8 Ų67.83%0.03435%0.349CS..Hα-helixtrans-58.4-43.3178.3-172169174.200112.7L189 S190 Q196 L197 R200 W207 D211L189-M194 HydrophobicContact CD2-CB 3.75Å; L189-M194 HydrophobicContact CD2-CG 3.84Å; L189-M194 HydrophobicContact CD2-SD 4.33Å; L189-M194 HydrophobicContact CG-CB 3.95Å; S190-M194 PolarHBondContact O-N 2.74Å; M194-Q196 PolarHBondContact O-N 2.69Å; M194-Q196 VanDerWaalsContact O-N 3.17Å; M194-L197 PolarHBondContact O-N 2.85Å; M194-R200 VanDerWaalsContact O-CB 3.32Å; M194-R200 WeakPolarHBondContact O-CB 2.96Å; M194-W207 HydrophobicContact CE-CD2 4.39Å; M194-W207 HydrophobicContact CE-CE3 3.68Å; M194-W207 HydrophobicContact CE-CH2 3.95Å; M194-W207 HydrophobicContact CE-CZ3 3.41Å; M194-W207 VanDerWaalsContact CE-CZ3 3.41Å; M194-D211 VanDerWaalsContact CE-OD1 3.23Å; M194-D211 WeakPolarHBondContact CE-OD1 3.17Å
195S97.4Very high97.3Very high59 Ų5968.2 Ų68.241%0.41335%0.351SS..THydrogen-bonded Turntrans-66.1-15.1176.172.60000113.7K191 K192 K193K191-S195 PolarHBondContact O-N 2.86Å; K192-S195 PolarHBondContact O-OG 3.49Å; K193-S195 PolarHBondContact O-N 3.45Å
196Q98.2Very high97.3Very high104 Ų10470.3 Ų70.349%0.48636%0.364SS..THydrogen-bonded Turntrans-91.4-14.2178.6-61.8-50.7-5200114.4K192 K193 M194 K201K192-Q196 WeakPolarHBondContact O-CG 3.32Å; K193-Q196 WeakPolarHBondContact O-CA 3.47Å; K193-Q196 WeakPolarHBondContact O-CB 3.41Å; K193-Q196 PolarHBondContact O-N 2.94Å; M194-Q196 PolarHBondContact O-N 2.69Å; M194-Q196 VanDerWaalsContact O-N 3.17Å; Q196-K201 WeakPolarHBondContact O-CE 3.21Å; Q196-K201 PolarHBondContact O-NZ 3.14Å; Q196-K201 VanDerWaalsContact OE1-CE 3.31Å
197L98.5Very high97.4Very high0 Ų069.3 Ų69.30%035%0.353CS..SBendtrans-61140.1-180-62.6-176.7000111.6V154 A157 M182 L189 K193 M194 L199 R200 K201 W207V154-L197 HydrophobicContact CG1-CD2 4.34Å; A157-L197 HydrophobicContact CB-CD1 3.94Å; A157-L197 HydrophobicContact CB-CD2 3.97Å; M182-L197 HydrophobicContact CE-CD1 4.32Å; L189-L197 HydrophobicContact CD2-CD1 3.8Å; K193-L197 PolarHBondContact O-N 2.97Å; M194-L197 PolarHBondContact O-N 2.85Å; L197-L199 VanDerWaalsContact C-N 3.29Å; L197-L199 PolarHBondContact O-N 2.97Å; L197-R200 HydrophobicContact CB-CB 4.15Å; L197-R200 PolarHBondContact O-N 3.01Å; L197-K201 PolarHBondContact O-N 2.93Å; L197-W207 HydrophobicContact CD1-CH2 4.29Å; L197-W207 HydrophobicContact CD1-CZ2 4.39Å
198H98.5Very high97.6Very high88 Ų8866.4 Ų66.441%0.40732%0.322SS..Hα-helixtrans-57.3-42.9176.1-62.7155.9000112.1N158 Y161 R200 K201 D202N158-H198 PolarHBondContact OD1-N 3.49Å; N158-H198 VanDerWaalsContact OD1-N 3.09Å; Y161-H198 HydrophobicContact CD1-CB 3.73Å; Y161-H198 HydrophobicContact CD2-CB 3.72Å; Y161-H198 HydrophobicContact CE1-CB 4.18Å; Y161-H198 HydrophobicContact CE2-CB 4.17Å; Y161-H198 HydrophobicContact CG-CB 3.47Å; Y161-H198 VanDerWaalsContact CG-CB 3.47Å; H198-R200 PolarHBondContact O-N 3.29Å; H198-R200 VanDerWaalsContact O-N 3.14Å; H198-K201 PolarHBondContact O-N 3.34Å; H198-D202 WeakPolarHBondContact O-CB 3.5Å; H198-D202 PolarHBondContact O-N 3.12Å
199L98.3Very high97.5Very high0 Ų062.9 Ų62.90%031%0.309CS..Hα-helixtrans-60.3-20174.2-76.5168.4000114.2L160 Y161 I178 M182 L197 F205 W207 I228L160-L199 HydrophobicContact CB-CD1 4.48Å; L160-L199 HydrophobicContact CD2-CD1 3.85Å; L160-L199 HydrophobicContact CG-CD1 4.13Å; Y161-L199 HydrophobicContact CD2-CD2 4.02Å; Y161-L199 HydrophobicContact CD2-CG 4.15Å; I178-L199 HydrophobicContact CD1-CD1 4.49Å; I178-L199 HydrophobicContact CD1-CD2 3.85Å; M182-L199 HydrophobicContact CE-CD1 4.03Å; L197-L199 VanDerWaalsContact C-N 3.29Å; L197-L199 PolarHBondContact O-N 2.97Å; L199-F205 HydrophobicContact CD2-CD1 3.7Å; L199-F205 HydrophobicContact CD2-CD2 4.14Å; L199-F205 HydrophobicContact CD2-CE1 3.82Å; L199-F205 HydrophobicContact CD2-CE2 4.21Å; L199-F205 HydrophobicContact CD2-CG 3.86Å; L199-F205 HydrophobicContact CD2-CZ 4.06Å; L199-F205 WeakPolarHBondContact O-CB 3.49Å; L199-W207 HydrophobicContact CB-CZ2 4.2Å; L199-W207 PolarHBondContact O-NE1 3.13Å; L199-I228 HydrophobicContact CD1-CD1 4.29Å
200R97.6Very high97.4Very high82 Ų8266.3 Ų66.331%0.30933%0.331SS..Hα-helixtrans-96-29.9179-159.268.1-177.2-153.4-6.3112.3M194 L197 H198 W207 D211M194-R200 VanDerWaalsContact O-CB 3.32Å; M194-R200 WeakPolarHBondContact O-CB 2.96Å; L197-R200 HydrophobicContact CB-CB 4.15Å; L197-R200 PolarHBondContact O-N 3.01Å; H198-R200 PolarHBondContact O-N 3.29Å; H198-R200 VanDerWaalsContact O-N 3.14Å; R200-W207 VanDerWaalsContact NH1-CE3 3.26Å; R200-D211 IonicContact CZ-OD1 3.57Å; R200-D211 IonicContact CZ-OD2 3.22Å; R200-D211 IonicContact NH1-OD1 3.9Å; R200-D211 PolarHBondContact NH1-OD1 3.42Å; R200-D211 IonicContact NH1-OD2 2.94Å; R200-D211 VanDerWaalsContact NH2-CG 3.26Å; R200-D211 IonicContact NH2-OD1 2.67Å; R200-D211 PolarHBondContact NH2-OD1 3.08Å; R200-D211 VanDerWaalsContact NH2-OD1 3.1Å; R200-D211 IonicContact NH2-OD2 3.71Å; R200-D211 PolarHBondContact NH2-OD2 3.04Å
201K98.3Very high97.4Very high113 Ų11366.4 Ų66.449%0.49133%0.327SS..Hα-helixtrans-78.3-35.3176.4-70.1179.6175.5163.30112.9Q196 L197 H198 T203Q196-K201 WeakPolarHBondContact O-CE 3.21Å; Q196-K201 PolarHBondContact O-NZ 3.14Å; Q196-K201 VanDerWaalsContact OE1-CE 3.31Å; L197-K201 PolarHBondContact O-N 2.93Å; H198-K201 PolarHBondContact O-N 3.34Å; K201-T203 PolarHBondContact O-N 3.21Å
202D98.1Very high97.2Very high30 Ų3067.4 Ų67.416%0.1633%0.331CS..  trans-76.4108.2177.7-177.8-5000110Y161 K165 H198 E204 F205Y161-D202 HydrophobicContact CE2-CB 3.86Å; Y161-D202 WeakPolarHBondContact CE2-OD2 3.49Å; Y161-D202 PolarHBondContact OH-OD2 2.75Å; K165-D202 IonicContact NZ-OD2 3.69Å; K165-D202 PolarHBondContact NZ-OD2 3.48Å; H198-D202 WeakPolarHBondContact O-CB 3.5Å; H198-D202 PolarHBondContact O-N 3.12Å; D202-E204 PolarHBondContact O-N 3.09Å; D202-E204 VanDerWaalsContact OD1-CB 3.28Å; D202-E204 WeakPolarHBondContact OD1-CB 3.21Å; D202-E204 PolarHBondContact OD1-N 2.97Å; D202-F205 HydrophobicContact CB-CD2 3.83Å; D202-F205 HydrophobicContact CB-CE2 4.35Å; D202-F205 PolarHBondContact O-N 3.42Å; D202-F205 WeakPolarHBondContact OD2-CD2 3.4Å; D202-F205 VanDerWaalsContact OD2-CE2 3.26Å; D202-F205 WeakPolarHBondContact OD2-CE2 3.38Å
203T96.2Very high97.1Very high116 Ų11661.8 Ų61.871%0.71231%0.308SS*.THydrogen-bonded Turntrans-67.9-12.2-177.854.60000113.6K201 F205 K235K201-T203 PolarHBondContact O-N 3.21Å; T203-F205 PolarHBondContact O-N 2.87Å; T203-K235 PolarHBondContact O-NZ 2.67Å
204E96.9Very high96.9Very high95 Ų9558.1 Ų58.144%0.44429%0.293SS..THydrogen-bonded Turntrans-69.5-15.7170-64.5-56.3120.100112.1D202 H230 K235D202-E204 PolarHBondContact O-N 3.09Å; D202-E204 VanDerWaalsContact OD1-CB 3.28Å; D202-E204 WeakPolarHBondContact OD1-CB 3.21Å; D202-E204 PolarHBondContact OD1-N 2.97Å; E204-H230 PolarHBondContact O-CD2 3.22Å; E204-K235 VanDerWaalsContact C-NZ 3.26Å; E204-K235 WeakPolarHBondContact O-CE 3.31Å; E204-K235 PolarHBondContact O-NZ 3.03Å
205F98.2Very high96.8Very high10 Ų1058.5 Ų58.54%0.04430%0.296CS..EExtended strand (participates in β ladder)trans-99.2119.9171.2-67.5-83.5000111.8Y161 V164 I178 L199 D202 T203 I228 I229 H230Y161-F205 AromaticContact CD2-CE2 3.99Å; Y161-F205 HydrophobicContact CD2-CE2 3.99Å; Y161-F205 HydrophobicContact CE2-CD2 4.2Å; Y161-F205 AromaticContact CE2-CE2 3.63Å; Y161-F205 HydrophobicContact CE2-CE2 3.63Å; Y161-F205 HydrophobicContact CE2-CZ 4.49Å; V164-F205 HydrophobicContact CG1-CE1 3.74Å; V164-F205 HydrophobicContact CG1-CZ 3.73Å; I178-F205 HydrophobicContact CD1-CD1 4.41Å; I178-F205 HydrophobicContact CD1-CE1 4.22Å; L199-F205 HydrophobicContact CD2-CD1 3.7Å; L199-F205 HydrophobicContact CD2-CD2 4.14Å; L199-F205 HydrophobicContact CD2-CE1 3.82Å; L199-F205 HydrophobicContact CD2-CE2 4.21Å; L199-F205 HydrophobicContact CD2-CG 3.86Å; L199-F205 HydrophobicContact CD2-CZ 4.06Å; L199-F205 WeakPolarHBondContact O-CB 3.49Å; D202-F205 HydrophobicContact CB-CD2 3.83Å; D202-F205 HydrophobicContact CB-CE2 4.35Å; D202-F205 PolarHBondContact O-N 3.42Å; D202-F205 WeakPolarHBondContact OD2-CD2 3.4Å; D202-F205 VanDerWaalsContact OD2-CE2 3.26Å; D202-F205 WeakPolarHBondContact OD2-CE2 3.38Å; T203-F205 PolarHBondContact O-N 2.87Å; F205-I228 HydrophobicContact CB-CG2 3.8Å; F205-I228 HydrophobicContact CD1-CG2 3.93Å; F205-I228 HydrophobicContact CG-CG2 4.32Å; F205-I229 WeakPolarHBondContact CA-O 3.46Å; F205-H230 HydrophobicContact CD1-CB 3.99Å; F205-H230 HydrophobicContact CE1-CB 3.83Å; F205-H230 AromaticContact CE1-CD2 3.74Å; F205-H230 AromaticContact CE2-CD2 3.86Å; F205-H230 AromaticContact CZ-CD2 3.63Å
206T97.4Very high96.6Very high59 Ų5956.6 Ų56.636%0.36228%0.282SS..EExtended strand (participates in β ladder)trans-103.3115.6176.5-60.50000109.9A208 I228 I229 K235T206-A208 PolarHBondContact O-N 3.4Å; T206-I228 CarbonylContact O-C 3.34Å; T206-I228 WeakPolarHBondContact O-CA 3.41Å; T206-I229 PolarHBondContact N-O 3.14Å; T206-I229 PolarHBondContact O-N 2.74Å; T206-K235 WeakPolarHBondContact OG1-CE 3.47Å; T206-K235 PolarHBondContact OG1-NZ 3.26Å
207W97.3Very high96Very high29 Ų2953.3 Ų53.311%0.1127%0.268CS..EExtended strand (participates in β ladder)trans-76.6100.9172-70.264000108.8M182 A184 M194 L197 L199 R200 R226 I228M182-W207 HydrophobicContact CE-CH2 3.64Å; M182-W207 HydrophobicContact CE-CZ2 4.09Å; M182-W207 HydrophobicContact SD-CH2 3.51Å; M182-W207 VanDerWaalsContact SD-CH2 3.51Å; M182-W207 HydrophobicContact SD-CZ2 4.31Å; M182-W207 HydrophobicContact SD-CZ3 3.89Å; A184-W207 HydrophobicContact CB-CH2 4.28Å; A184-W207 HydrophobicContact CB-CZ3 4.05Å; M194-W207 HydrophobicContact CE-CD2 4.39Å; M194-W207 HydrophobicContact CE-CE3 3.68Å; M194-W207 HydrophobicContact CE-CH2 3.95Å; M194-W207 HydrophobicContact CE-CZ3 3.41Å; M194-W207 VanDerWaalsContact CE-CZ3 3.41Å; L197-W207 HydrophobicContact CD1-CH2 4.29Å; L197-W207 HydrophobicContact CD1-CZ2 4.39Å; L199-W207 HydrophobicContact CB-CZ2 4.2Å; L199-W207 PolarHBondContact O-NE1 3.13Å; R200-W207 VanDerWaalsContact NH1-CE3 3.26Å; W207-R226 HydrophobicContact CE3-CB 4.41Å; W207-R226 HydrophobicContact CE3-CG 4.02Å; W207-R226 HydrophobicContact CZ3-CB 4.3Å; W207-R226 HydrophobicContact CZ3-CG 3.65Å; W207-I228 HydrophobicContact CD2-CD1 3.82Å; W207-I228 HydrophobicContact CD2-CG1 3.87Å; W207-I228 HydrophobicContact CE3-CD1 4.16Å; W207-I228 HydrophobicContact CE3-CG1 4.22Å; W207-I228 HydrophobicContact CG-CD1 4.47Å; W207-I228 HydrophobicContact CG-CG1 4.14Å; W207-I228 HydrophobicContact CH2-CD1 3.98Å; W207-I228 HydrophobicContact CZ2-CD1 3.63Å; W207-I228 HydrophobicContact CZ3-CD1 4.23Å
208A97.1Very high95.1Very high15 Ų1555.7 Ų55.712%0.12429%0.292CS..  trans-81.2-22.9-168.600000113.5T206 P210 I227 I229 T243T206-A208 PolarHBondContact O-N 3.4Å; A208-P210 WeakPolarHBondContact O-CD 3.49Å; A208-I227 HydrophobicContact CB-CB 4.4Å; A208-I227 HydrophobicContact CB-CG2 4.25Å; A208-I227 WeakPolarHBondContact CB-O 3.44Å; A208-I227 PolarHBondContact N-O 3.18Å; A208-I229 HydrophobicContact CB-CG1 4.05Å; A208-T243 HydrophobicContact CB-CG2 3.8Å; A208-T243 WeakPolarHBondContact O-CB 3.27Å; A208-T243 PolarHBondContact O-OG1 3.28Å
209I96.1Very high94Very high8 Ų862.2 Ų62.24%0.04132%0.32CS..SBendtrans-88.3116.5167.5-63.3-179.7000108.1H213 T215 D225 R226 I227I209-H213 HydrophobicContact CG2-CB 3.99Å; I209-T215 HydrophobicContact CD1-CG2 4.46Å; I209-T215 HydrophobicContact CG2-CG2 4.09Å; I209-D225 WeakPolarHBondContact CD1-O 3.44Å; I209-R226 PolarHBondContact O-NH1 3.01Å; I209-R226 VanDerWaalsContact O-NH1 3.14Å; I209-I227 HydrophobicContact CD1-CB 4.33Å; I209-I227 HydrophobicContact CD1-CD1 4.15Å; I209-I227 HydrophobicContact CD1-CG1 3.89Å; I209-I227 HydrophobicContact CG1-CB 4.23Å; I209-I227 HydrophobicContact CG1-CD1 4.43Å; I209-I227 HydrophobicContact CG1-CG1 4.27Å
210P95Very high93.1Very high72 Ų7264 Ų6447%0.46834%0.338SS..  trans-59.8148.3178-2333.8000112.5A208 K212 H213A208-P210 WeakPolarHBondContact O-CD 3.49Å; P210-K212 PolarHBondContact O-N 2.87Å; P210-H213 HydrophobicContact CB-CB 4.3Å; P210-H213 HydrophobicContact CG-CB 4.49Å; P210-H213 VanDerWaalsContact O-CB 3.31Å; P210-H213 WeakPolarHBondContact O-CB 3.48Å; P210-H213 PolarHBondContact O-N 3.48Å
211D95.3Very high92.9Very high56 Ų5665.2 Ų65.230%0.29935%0.351SS..THydrogen-bonded Turntrans-67-9.1-179.8-55.3-16.2000114.4M194 R200 R226M194-D211 VanDerWaalsContact CE-OD1 3.23Å; M194-D211 WeakPolarHBondContact CE-OD1 3.17Å; R200-D211 IonicContact CZ-OD1 3.57Å; R200-D211 IonicContact CZ-OD2 3.22Å; R200-D211 IonicContact NH1-OD1 3.9Å; R200-D211 PolarHBondContact NH1-OD1 3.42Å; R200-D211 IonicContact NH1-OD2 2.94Å; R200-D211 VanDerWaalsContact NH2-CG 3.26Å; R200-D211 IonicContact NH2-OD1 2.67Å; R200-D211 PolarHBondContact NH2-OD1 3.08Å; R200-D211 VanDerWaalsContact NH2-OD1 3.1Å; R200-D211 IonicContact NH2-OD2 3.71Å; R200-D211 PolarHBondContact NH2-OD2 3.04Å; D211-R226 IonicContact OD1-CZ 2.86Å; D211-R226 IonicContact OD1-NH1 3.54Å; D211-R226 PolarHBondContact OD1-NH1 3.34Å; D211-R226 IonicContact OD1-NH2 3.89Å
212K94Very high92.8Very high187 Ų18760.3 Ų60.381%0.81333%0.33SS*.THydrogen-bonded Turntrans-103.910.1175.3-60.4-175.9179.2-179.60112.3P210P210-K212 PolarHBondContact O-N 2.87Å
213H94.8Very high92.7Very high51 Ų5158.9 Ų58.924%0.23632%0.323CS..SBendtrans-99.2103.2-177.9-171.188000108.6I209 P210 T215 A223 A245I209-H213 HydrophobicContact CG2-CB 3.99Å; P210-H213 HydrophobicContact CB-CB 4.3Å; P210-H213 HydrophobicContact CG-CB 4.49Å; P210-H213 VanDerWaalsContact O-CB 3.31Å; P210-H213 WeakPolarHBondContact O-CB 3.48Å; P210-H213 PolarHBondContact O-N 3.48Å; H213-T215 PolarHBondContact O-N 3.4Å; H213-A223 VanDerWaalsContact O-CB 3.32Å; H213-A223 WeakPolarHBondContact O-CB 3.35Å; H213-A245 PolarHBondContact NE2-N 3.22Å; H213-A245 VanDerWaalsContact NE2-N 3.1Å
214D94.8Very high92.7Very high39 Ų3955 Ų5521%0.20930%0.295CS..  trans-57.6133176-170.618.9000111.3T216 D221 C222 A245D214-T216 PolarHBondContact OD1-N 3.42Å; D214-T216 PolarHBondContact OD1-OG1 3.08Å; D214-D221 WeakPolarHBondContact CB-OD1 3.36Å; D214-C222 PolarHBondContact OD1-N 3.17Å; D214-C222 VanDerWaalsContact OD1-O 3.09Å; D214-A245 WeakPolarHBondContact O-CB 3.32Å
215T95.2Very high92.8Very high16 Ų1651.6 Ų51.610%0.09828%0.28CS..  trans-118.84.6178.953.70000112.3I209 H213 C222 A223 Y224 D225 A245I209-T215 HydrophobicContact CD1-CG2 4.46Å; I209-T215 HydrophobicContact CG2-CG2 4.09Å; H213-T215 PolarHBondContact O-N 3.4Å; T215-C222 PolarHBondContact N-O 2.82Å; T215-C222 PolarHBondContact OG1-O 3.18Å; T215-A223 VanDerWaalsContact OG1-CA 3.32Å; T215-A223 WeakPolarHBondContact OG1-CA 3.06Å; T215-Y224 PolarHBondContact OG1-N 3.19Å; T215-D225 HydrophobicContact CG2-CB 4.17Å; T215-D225 PolarHBondContact OG1-N 3.23Å; T215-A245 HydrophobicContact CG2-CB 4.27Å
216T92.3Very high92.8Very high18 Ų1851.3 Ų51.311%0.1128%0.279CS..  trans-103.7160.4-178.771.50000112.4D214 C222 Y224D214-T216 PolarHBondContact OD1-N 3.42Å; D214-T216 PolarHBondContact OD1-OG1 3.08Å; T216-C222 HydrophobicContact CG2-CB 4.03Å; T216-Y224 HydrophobicContact CG2-CD2 3.43Å; T216-Y224 VanDerWaalsContact CG2-CD2 3.43Å; T216-Y224 HydrophobicContact CG2-CE2 3.76Å; T216-Y224 HydrophobicContact CG2-CG 4.24Å
217L86.9Confident92.8Very high35 Ų3550 Ų5018%0.18327%0.269CS..SBendtrans-91.4-4.6168.9-63.9171000113.9F248 P249 S259 F263 R264L217-F248 HydrophobicContact CD1-CE1 3.76Å; L217-F248 HydrophobicContact CD1-CE2 4.49Å; L217-F248 HydrophobicContact CD1-CZ 3.39Å; L217-F248 HydrophobicContact CD2-CE1 3.76Å; L217-F248 HydrophobicContact CD2-CZ 3.89Å; L217-F248 HydrophobicContact CG-CE1 4.2Å; L217-F248 HydrophobicContact CG-CZ 4.22Å; L217-P249 HydrophobicContact CD2-CG 3.48Å; L217-P249 VanDerWaalsContact CD2-CG 3.48Å; L217-S259 WeakPolarHBondContact CD1-O 3.04Å; L217-F263 HydrophobicContact CD1-CB 3.58Å; L217-R264 WeakPolarHBondContact CG-OXT 3.44Å; L217-R264 PolarHBondContact N-OXT 3.44Å
218G79.2Confident92.9Very high50 Ų5048.6 Ų48.652%0.51526%0.264SS..SBendtrans-77.7-174.1-174.500000113.5G220G218-G220 PolarHBondContact O-N 3.1Å
219K75.1Confident92.9Very high226 Ų22648.1 Ų48.198%0.98326%0.259SS*.SBendtrans-75.4-3.5170.9-67.3-174.6177.7-178.50113.5
220G80.4Confident93Very high38 Ų3848.4 Ų48.439%0.39226%0.261SS..SBendtrans-79.3169.4179.300000111.7G218G218-G220 PolarHBondContact O-N 3.1Å
221D91.7Very high93.1Very high106 Ų10645.1 Ų45.157%0.56724%0.24SC*.  trans-123.886.7167.5175.411.6000105.8C186 D214C186-D221 PolarHBondContact SG-O 3.39Å; D214-D221 WeakPolarHBondContact CB-OD1 3.36Å
222C96Very high93.1Very high10 Ų1049.6 Ų49.67%0.06826%0.257CS..  trans-134.5127-169.9-61.20000111.7D185 C186 D214 T215 T216 Y224D185-C222 HydrophobicContact CB-CB 4.47Å; C186-C222 HydrophobicContact CB-CB 4.05Å; C186-C222 WeakPolarHBondContact CB-SG 3.24Å; C186-C222 VanDerWaalsContact SG-CA 3.53Å; C186-C222 WeakPolarHBondContact SG-CB 3.37Å; C186-C222 CovalentContact SG-SG 2.04Å; C186-C222 PolarHBondContact SG-SG 3.15Å; D214-C222 PolarHBondContact OD1-N 3.17Å; D214-C222 VanDerWaalsContact OD1-O 3.09Å; T215-C222 PolarHBondContact N-O 2.82Å; T215-C222 PolarHBondContact OG1-O 3.18Å; T216-C222 HydrophobicContact CG2-CB 4.03Å; C222-Y224 HydrophobicContact CB-CD1 3.99Å; C222-Y224 HydrophobicContact CB-CD2 4.28Å; C222-Y224 HydrophobicContact CB-CE1 3.7Å; C222-Y224 HydrophobicContact CB-CE2 3.99Å; C222-Y224 HydrophobicContact CB-CG 4.28Å; C222-Y224 PolarHBondContact O-N 3.39Å
223A96.6Very high93Very high0 Ų045.9 Ų45.90%024%0.242CC..  trans-90.464.9174.300000111.2D185 H213 T215 R226D185-A223 HydrophobicContact CB-CB 4.44Å; D185-A223 PolarHBondContact OD2-N 3.28Å; H213-A223 VanDerWaalsContact O-CB 3.32Å; H213-A223 WeakPolarHBondContact O-CB 3.35Å; T215-A223 VanDerWaalsContact OG1-CA 3.32Å; T215-A223 WeakPolarHBondContact OG1-CA 3.06Å; A223-R226 VanDerWaalsContact CB-NH2 3.34Å; A223-R226 VanDerWaalsContact O-CZ 3.23Å; A223-R226 PolarHBondContact O-NE 3.4Å; A223-R226 PolarHBondContact O-NH2 2.94Å
224Y97Very high93Very high34 Ų3444.1 Ų44.113%0.13323%0.234CC..  trans-68.2-45.8177.5-66-28.1000112.7M182 N183 A184 D185 C186 Y188 T215 T216 C222M182-Y224 PolarHBondContact N-O 3.21Å; N183-Y224 PolarHBondContact N-O 3.05Å; A184-Y224 PolarHBondContact N-O 2.89Å; D185-Y224 HydrophobicContact CB-CD1 4.1Å; D185-Y224 HydrophobicContact CB-CE1 4.33Å; D185-Y224 WeakPolarHBondContact O-CE1 3.27Å; C186-Y224 HydrophobicContact CB-CE1 3.94Å; Y188-Y224 AromaticContact CD2-CD1 3.92Å; Y188-Y224 HydrophobicContact CD2-CD1 3.92Å; Y188-Y224 AromaticContact CD2-CE1 3.4Å; Y188-Y224 HydrophobicContact CD2-CE1 3.4Å; Y188-Y224 HydrophobicContact CD2-CE2 4.22Å; Y188-Y224 AromaticContact CD2-CZ 3.58Å; Y188-Y224 HydrophobicContact CE2-CD1 4.43Å; Y188-Y224 HydrophobicContact CE2-CD2 4.37Å; Y188-Y224 AromaticContact CE2-CE1 3.83Å; Y188-Y224 HydrophobicContact CE2-CE1 3.83Å; Y188-Y224 AromaticContact CE2-CE2 3.79Å; Y188-Y224 HydrophobicContact CE2-CE2 3.79Å; Y188-Y224 AromaticContact CE2-CZ 3.48Å; Y188-Y224 VanDerWaalsContact CE2-CZ 3.48Å; Y188-Y224 HydrophobicContact CG-CE1 4.38Å; T215-Y224 PolarHBondContact OG1-N 3.19Å; T216-Y224 HydrophobicContact CG2-CD2 3.43Å; T216-Y224 VanDerWaalsContact CG2-CD2 3.43Å; T216-Y224 HydrophobicContact CG2-CE2 3.76Å; T216-Y224 HydrophobicContact CG2-CG 4.24Å; C222-Y224 HydrophobicContact CB-CD1 3.99Å; C222-Y224 HydrophobicContact CB-CD2 4.28Å; C222-Y224 HydrophobicContact CB-CE1 3.7Å; C222-Y224 HydrophobicContact CB-CE2 3.99Å; C222-Y224 HydrophobicContact CB-CG 4.28Å; C222-Y224 PolarHBondContact O-N 3.39Å
225D97.8Very high93Very high25 Ų2545 Ų4513%0.13424%0.236CC..EExtended strand (participates in β ladder)trans-80.5132.8178.4-63.7-100.7000110.8G180 D181 I209 T215G180-D225 WeakPolarHBondContact O-CA 3.37Å; D181-D225 PolarHBondContact N-OD1 2.89Å; I209-D225 WeakPolarHBondContact CD1-O 3.44Å; T215-D225 HydrophobicContact CG2-CB 4.17Å; T215-D225 PolarHBondContact OG1-N 3.23Å
226R98Very high92.9Very high3 Ų350.9 Ų50.91%0.01126%0.263CS..EExtended strand (participates in β ladder)trans-128148.2-175.5-61.8-64.2-175.4156.13.1111.2L179 G180 M182 A184 W207 I209 D211 A223 I228L179-R226 VanDerWaalsContact CA-O 3.27Å; L179-R226 WeakPolarHBondContact CA-O 3.47Å; G180-R226 PolarHBondContact N-O 3.45Å; G180-R226 PolarHBondContact O-N 2.98Å; M182-R226 HydrophobicContact CB-CB 4.17Å; M182-R226 HydrophobicContact CB-CG 3.98Å; M182-R226 HydrophobicContact SD-CB 4.14Å; M182-R226 HydrophobicContact SD-CG 4.1Å; A184-R226 HydrophobicContact CB-CG 3.93Å; A184-R226 PolarHBondContact O-NH2 3.28Å; W207-R226 HydrophobicContact CE3-CB 4.41Å; W207-R226 HydrophobicContact CE3-CG 4.02Å; W207-R226 HydrophobicContact CZ3-CB 4.3Å; W207-R226 HydrophobicContact CZ3-CG 3.65Å; I209-R226 PolarHBondContact O-NH1 3.01Å; I209-R226 VanDerWaalsContact O-NH1 3.14Å; D211-R226 IonicContact OD1-CZ 2.86Å; D211-R226 IonicContact OD1-NH1 3.54Å; D211-R226 PolarHBondContact OD1-NH1 3.34Å; D211-R226 IonicContact OD1-NH2 3.89Å; A223-R226 VanDerWaalsContact CB-NH2 3.34Å; A223-R226 VanDerWaalsContact O-CZ 3.23Å; A223-R226 PolarHBondContact O-NE 3.4Å; A223-R226 PolarHBondContact O-NH2 2.94Å; R226-I228 HydrophobicContact CB-CG1 4.4Å
227I98.4Very high92.9Very high31 Ų3153.1 Ų53.116%0.15928%0.283CS..EExtended strand (participates in β ladder)trans-120.1119.4163.9-62.1173.9000106.3I177 I178 L179 A208 I209 I229I177-I227 HydrophobicContact CG2-CG2 4.02Å; I178-I227 CarbonylContact O-C 3.57Å; I178-I227 WeakPolarHBondContact O-CA 3.45Å; L179-I227 HydrophobicContact CB-CG1 4.04Å; A208-I227 HydrophobicContact CB-CB 4.4Å; A208-I227 HydrophobicContact CB-CG2 4.25Å; A208-I227 WeakPolarHBondContact CB-O 3.44Å; A208-I227 PolarHBondContact N-O 3.18Å; I209-I227 HydrophobicContact CD1-CB 4.33Å; I209-I227 HydrophobicContact CD1-CD1 4.15Å; I209-I227 HydrophobicContact CD1-CG1 3.89Å; I209-I227 HydrophobicContact CG1-CB 4.23Å; I209-I227 HydrophobicContact CG1-CD1 4.43Å; I209-I227 HydrophobicContact CG1-CG1 4.27Å; I227-I229 HydrophobicContact CG2-CD1 3.7Å; I227-I229 HydrophobicContact CG2-CG1 4.2Å
228I98.4Very high93.1Very high1 Ų153.7 Ų53.71%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-120.7130.7179.4-50.9171.7000108.5I178 M182 L199 F205 T206 W207 R226I178-I228 HydrophobicContact CB-CB 4.16Å; I178-I228 HydrophobicContact CD1-CB 4.36Å; I178-I228 PolarHBondContact N-O 2.76Å; I178-I228 PolarHBondContact O-N 2.78Å; M182-I228 HydrophobicContact CE-CD1 4.35Å; M182-I228 HydrophobicContact SD-CD1 3.9Å; L199-I228 HydrophobicContact CD1-CD1 4.29Å; F205-I228 HydrophobicContact CB-CG2 3.8Å; F205-I228 HydrophobicContact CD1-CG2 3.93Å; F205-I228 HydrophobicContact CG-CG2 4.32Å; T206-I228 CarbonylContact O-C 3.34Å; T206-I228 WeakPolarHBondContact O-CA 3.41Å; W207-I228 HydrophobicContact CD2-CD1 3.82Å; W207-I228 HydrophobicContact CD2-CG1 3.87Å; W207-I228 HydrophobicContact CE3-CD1 4.16Å; W207-I228 HydrophobicContact CE3-CG1 4.22Å; W207-I228 HydrophobicContact CG-CD1 4.47Å; W207-I228 HydrophobicContact CG-CG1 4.14Å; W207-I228 HydrophobicContact CH2-CD1 3.98Å; W207-I228 HydrophobicContact CZ2-CD1 3.63Å; W207-I228 HydrophobicContact CZ3-CD1 4.23Å; R226-I228 HydrophobicContact CB-CG1 4.4Å
229I98.2Very high93.7Very high4 Ų457.8 Ų57.82%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-118.3132.2-169.2-53.8-67.5000110.1I177 F205 T206 A208 I227 L234 K235 I238I177-I229 HydrophobicContact CB-CD1 4.19Å; I177-I229 HydrophobicContact CD1-CD1 4.44Å; I177-I229 HydrophobicContact CG1-CD1 3.78Å; I177-I229 HydrophobicContact CG2-CD1 3.81Å; F205-I229 WeakPolarHBondContact CA-O 3.46Å; T206-I229 PolarHBondContact N-O 3.14Å; T206-I229 PolarHBondContact O-N 2.74Å; A208-I229 HydrophobicContact CB-CG1 4.05Å; I227-I229 HydrophobicContact CG2-CD1 3.7Å; I227-I229 HydrophobicContact CG2-CG1 4.2Å; I229-L234 HydrophobicContact CG2-CB 4.21Å; I229-L234 HydrophobicContact CG2-CD2 3.79Å; I229-L234 HydrophobicContact CG2-CG 3.76Å; I229-K235 HydrophobicContact CG2-CG 3.82Å; I229-I238 HydrophobicContact CB-CD1 4.19Å; I229-I238 HydrophobicContact CD1-CD1 3.68Å; I229-I238 HydrophobicContact CG1-CD1 3.47Å; I229-I238 VanDerWaalsContact CG1-CD1 3.47Å; I229-I238 HydrophobicContact CG2-CD1 3.9Å
230H98.2Very high94.5Very high15 Ų1552.9 Ų52.97%0.06928%0.281CS..EExtended strand (participates in β ladder)trans-120.8145.5171.3-173.2-72.2000110.2M168 Q174 N175 L176 E204 F205M168-H230 WeakPolarHBondContact CE-CE1 3.33Å; M168-H230 WeakPolarHBondContact CE-ND1 3.45Å; Q174-H230 CarbonylContact O-C 3.56Å; Q174-H230 PolarHBondContact O-ND1 2.93Å; N175-H230 WeakPolarHBondContact CA-O 3.32Å; L176-H230 HydrophobicContact CB-CB 4.27Å; L176-H230 PolarHBondContact N-O 3Å; L176-H230 PolarHBondContact O-N 3.38Å; E204-H230 PolarHBondContact O-CD2 3.22Å; F205-H230 HydrophobicContact CD1-CB 3.99Å; F205-H230 HydrophobicContact CE1-CB 3.83Å; F205-H230 AromaticContact CE1-CD2 3.74Å; F205-H230 AromaticContact CE2-CD2 3.86Å; F205-H230 AromaticContact CZ-CD2 3.63Å
231G96.5Very high95Very high3 Ų354.2 Ų54.23%0.03129%0.294CS..SBendtrans99.7129.4177.900000113.6Q174 Q233 L234 K235Q174-G231 VanDerWaalsContact O-CA 3.25Å; Q174-G231 WeakPolarHBondContact O-CA 3.29Å; Q174-G231 PolarHBondContact O-N 3.3Å; G231-Q233 PolarHBondContact O-N 2.84Å; G231-L234 PolarHBondContact O-N 3.05Å; G231-K235 WeakPolarHBondContact O-CG 3.5Å; G231-K235 PolarHBondContact O-N 3.1Å
232K95.1Very high95.1Very high150 Ų15052 Ų5265%0.65229%0.287SS*.Hα-helixtrans-61-43.7-173.3-175.8178.7178.5-179.40113.1K235 Q236K232-K235 PolarHBondContact O-N 3.04Å; K232-Q236 WeakPolarHBondContact O-CB 3.32Å; K232-Q236 VanDerWaalsContact O-CG 3.29Å; K232-Q236 WeakPolarHBondContact O-CG 3.38Å; K232-Q236 PolarHBondContact O-N 3.19Å
233Q93.3Very high95.1Very high108 Ų10853 Ų5351%0.50529%0.293SS..Hα-helixtrans-62.1-46.1-179.6-69.2177.5-17.600110.9I138 N175 G231 Q236 A237I138-Q233 HydrophobicContact CD1-CB 4.4Å; I138-Q233 HydrophobicContact CG1-CB 4.21Å; N175-Q233 PolarHBondContact ND2-OE1 3.26Å; G231-Q233 PolarHBondContact O-N 2.84Å; Q233-Q236 PolarHBondContact O-N 3.03Å; Q233-A237 WeakPolarHBondContact O-CB 3.41Å; Q233-A237 PolarHBondContact O-N 2.97Å
234L93.8Very high95.1Very high15 Ų1559.5 Ų59.58%0.07932%0.321CS..Hα-helixtrans-65.6-42.9179.3-17361.8000112.2I138 N175 I177 I229 G231 Q236 A237 I238I138-L234 HydrophobicContact CD1-CB 4.29Å; I138-L234 HydrophobicContact CD1-CD1 3.98Å; N175-L234 HydrophobicContact CB-CB 4.11Å; N175-L234 HydrophobicContact CB-CD2 4.25Å; N175-L234 PolarHBondContact OD1-N 2.82Å; I177-L234 HydrophobicContact CD1-CD1 4.38Å; I177-L234 HydrophobicContact CD1-CD2 4.27Å; I177-L234 HydrophobicContact CG1-CD2 3.55Å; I177-L234 HydrophobicContact CG1-CG 4.48Å; I229-L234 HydrophobicContact CG2-CB 4.21Å; I229-L234 HydrophobicContact CG2-CD2 3.79Å; I229-L234 HydrophobicContact CG2-CG 3.76Å; G231-L234 PolarHBondContact O-N 3.05Å; L234-Q236 VanDerWaalsContact C-N 3.27Å; L234-Q236 PolarHBondContact O-N 3.18Å; L234-A237 PolarHBondContact O-N 2.82Å; L234-A237 VanDerWaalsContact O-N 3.17Å; L234-I238 WeakPolarHBondContact O-CG1 3.32Å; L234-I238 PolarHBondContact O-N 3.15Å
235K94.6Very high94.9Very high57 Ų5759 Ų5925%0.24832%0.324CS..Hα-helixtrans-56.8-41173.3-70.8175.7-172.7-177.80112.2T203 E204 T206 I229 G231 K232T203-K235 PolarHBondContact O-NZ 2.67Å; E204-K235 VanDerWaalsContact C-NZ 3.26Å; E204-K235 WeakPolarHBondContact O-CE 3.31Å; E204-K235 PolarHBondContact O-NZ 3.03Å; T206-K235 WeakPolarHBondContact OG1-CE 3.47Å; T206-K235 PolarHBondContact OG1-NZ 3.26Å; I229-K235 HydrophobicContact CG2-CG 3.82Å; G231-K235 WeakPolarHBondContact O-CG 3.5Å; G231-K235 PolarHBondContact O-N 3.1Å; K232-K235 PolarHBondContact O-N 3.04Å
236Q93.1Very high94.8Very high140 Ų14059.6 Ų59.665%0.65433%0.325SS*.Hα-helixtrans-73.7-28178.9-71.9175.7-21.800113.3K232 Q233 L234K232-Q236 WeakPolarHBondContact O-CB 3.32Å; K232-Q236 VanDerWaalsContact O-CG 3.29Å; K232-Q236 WeakPolarHBondContact O-CG 3.38Å; K232-Q236 PolarHBondContact O-N 3.19Å; Q233-Q236 PolarHBondContact O-N 3.03Å; L234-Q236 VanDerWaalsContact C-N 3.27Å; L234-Q236 PolarHBondContact O-N 3.18Å
237A91.7Very high94.5Very high64 Ų6463.1 Ų63.153%0.52934%0.341SS..Hα-helixtrans-79.3-17.4-18000000113.7I138 Q233 L234 K239I138-A237 HydrophobicContact CD1-CB 3.59Å; Q233-A237 WeakPolarHBondContact O-CB 3.41Å; Q233-A237 PolarHBondContact O-N 2.97Å; L234-A237 PolarHBondContact O-N 2.82Å; L234-A237 VanDerWaalsContact O-N 3.17Å; A237-K239 PolarHBondContact O-N 3.05Å
238I92.4Very high94.2Very high48 Ų4862.2 Ų62.225%0.24634%0.336CS..SBendtrans-70.8118.7178.7-69.7167.1000109.7I229 L234 P240 T243I229-I238 HydrophobicContact CB-CD1 4.19Å; I229-I238 HydrophobicContact CD1-CD1 3.68Å; I229-I238 HydrophobicContact CG1-CD1 3.47Å; I229-I238 VanDerWaalsContact CG1-CD1 3.47Å; I229-I238 HydrophobicContact CG2-CD1 3.9Å; L234-I238 WeakPolarHBondContact O-CG1 3.32Å; L234-I238 PolarHBondContact O-N 3.15Å; I238-P240 WeakPolarHBondContact O-CD 3.2Å; I238-T243 HydrophobicContact CG2-CG2 3.92Å
239K92.4Very high93.9Very high135 Ų13562.8 Ų62.859%0.58734%0.34SS*.PPolyproline II helixtrans-58.8125172.6-179176-179.2175.50109.9A237 G241 S242A237-K239 PolarHBondContact O-N 3.05Å; K239-G241 PolarHBondContact O-N 3.41Å; K239-S242 WeakPolarHBondContact O-CB 3.23Å; K239-S242 PolarHBondContact O-N 3.26Å; K239-S242 VanDerWaalsContact O-N 3.12Å; K239-S242 PolarHBondContact O-OG 2.98Å
240P91.4Very high93.6Very high124 Ų12469 Ų6981%0.80537%0.372SS*.THydrogen-bonded Turntrans-53136.1177-28.735.8000112.6I238 S242I238-P240 WeakPolarHBondContact O-CD 3.2Å; P240-S242 PolarHBondContact O-N 3.17Å
241G91.1Very high93.4Very high65 Ų6574.1 Ų74.167%0.6740%0.396SS*.THydrogen-bonded Turntrans71.16.8179.900000115.5K239K239-G241 PolarHBondContact O-N 3.41Å
242S94.1Very high93.2Very high61 Ų6176 Ų7643%0.42741%0.405SS..  trans-82.7-19178.868.70000114K239 P240 K244K239-S242 WeakPolarHBondContact O-CB 3.23Å; K239-S242 PolarHBondContact O-N 3.26Å; K239-S242 VanDerWaalsContact O-N 3.12Å; K239-S242 PolarHBondContact O-OG 2.98Å; P240-S242 PolarHBondContact O-N 3.17Å; S242-K244 PolarHBondContact O-N 3.44Å
243T95.7Very high93.1Very high31 Ų3176.2 Ų76.219%0.1941%0.413CS..  trans-89.190.4-177.548.10000111.1A208 I238A208-T243 HydrophobicContact CB-CG2 3.8Å; A208-T243 WeakPolarHBondContact O-CB 3.27Å; A208-T243 PolarHBondContact O-OG1 3.28Å; I238-T243 HydrophobicContact CG2-CG2 3.92Å
244K94.9Very high92.9Very high136 Ų13672 Ų7259%0.59139%0.394SS*.SBendtrans-152.9155.9-175.660.2-177.4-178176.40111.8S242S242-K244 PolarHBondContact O-N 3.44Å
245A94.6Very high92.6Very high24 Ų2474.6 Ų74.620%0.19841%0.413CS..  trans-60.4137166.800000110.7H213 D214 T215H213-A245 PolarHBondContact NE2-N 3.22Å; H213-A245 VanDerWaalsContact NE2-N 3.1Å; D214-A245 WeakPolarHBondContact O-CB 3.32Å; T215-A245 HydrophobicContact CG2-CB 4.27Å
246Y94.4Very high91.9Very high37 Ų3777.9 Ų77.915%0.14543%0.433CS..  trans-83.8116.2172.1175.6-133.7000109.1I46 R49 F248 E251I46-Y246 HydrophobicContact CG1-CE1 4.35Å; I46-Y246 HydrophobicContact CG2-CD1 4.47Å; R49-Y246 VanDerWaalsContact CD-CE1 3.44Å; Y246-F248 HydrophobicContact CD1-CB 3.59Å; Y246-F248 HydrophobicContact CE1-CB 3.41Å; Y246-F248 VanDerWaalsContact CE1-CB 3.41Å; Y246-F248 HydrophobicContact CG-CB 4.37Å; Y246-F248 PolarHBondContact O-N 3.1Å; Y246-E251 HydrophobicContact CD2-CG 4.37Å; Y246-E251 HydrophobicContact CE2-CB 3.62Å; Y246-E251 HydrophobicContact CE2-CG 3.56Å; Y246-E251 VanDerWaalsContact OH-CB 3.27Å; Y246-E251 WeakPolarHBondContact OH-CB 3.45Å
247Q92.2Very high91.4Very high77 Ų7778.4 Ų78.436%0.3644%0.436SS..  trans-77.759.2-179.2-62.9-63.1-35.900111P249 I250 E251Q247-P249 VanDerWaalsContact C-N 3.35Å; Q247-I250 HydrophobicContact CB-CD1 4.4Å; Q247-I250 PolarHBondContact O-N 2.96Å; Q247-E251 WeakPolarHBondContact O-CG 3.49Å; Q247-E251 PolarHBondContact O-N 3.13Å; Q247-E251 VanDerWaalsContact O-N 3.08Å
248F92.7Very high91.1Very high12 Ų1277.4 Ų77.45%0.05342%0.421CS..Hα-helixtrans-58.6-31.4-172.573.2-94.6000115F24 V42 I46 L217 Y246 I250 E251 L252 I254 F263F24-F248 HydrophobicContact CZ-CE1 4.47Å; V42-F248 HydrophobicContact CG1-CD2 4.35Å; V42-F248 HydrophobicContact CG1-CE2 4.44Å; I46-F248 HydrophobicContact CD1-CB 4Å; I46-F248 HydrophobicContact CD1-CD1 4.09Å; I46-F248 HydrophobicContact CD1-CD2 3.62Å; I46-F248 HydrophobicContact CD1-CE1 4.48Å; I46-F248 HydrophobicContact CD1-CE2 4.07Å; I46-F248 HydrophobicContact CD1-CG 3.62Å; I46-F248 HydrophobicContact CD1-CZ 4.46Å; I46-F248 HydrophobicContact CG1-CB 3.93Å; I46-F248 HydrophobicContact CG1-CD2 4.37Å; I46-F248 HydrophobicContact CG1-CG 4.13Å; L217-F248 HydrophobicContact CD1-CE1 3.76Å; L217-F248 HydrophobicContact CD1-CE2 4.49Å; L217-F248 HydrophobicContact CD1-CZ 3.39Å; L217-F248 HydrophobicContact CD2-CE1 3.76Å; L217-F248 HydrophobicContact CD2-CZ 3.89Å; L217-F248 HydrophobicContact CG-CE1 4.2Å; L217-F248 HydrophobicContact CG-CZ 4.22Å; Y246-F248 HydrophobicContact CD1-CB 3.59Å; Y246-F248 HydrophobicContact CE1-CB 3.41Å; Y246-F248 VanDerWaalsContact CE1-CB 3.41Å; Y246-F248 HydrophobicContact CG-CB 4.37Å; Y246-F248 PolarHBondContact O-N 3.1Å; F248-I250 VanDerWaalsContact C-N 3.3Å; F248-I250 PolarHBondContact O-N 3.19Å; F248-E251 PolarHBondContact O-N 2.66Å; F248-L252 HydrophobicContact CB-CD1 4.26Å; F248-L252 VanDerWaalsContact O-CB 3.24Å; F248-L252 WeakPolarHBondContact O-CB 3.44Å; F248-L252 WeakPolarHBondContact O-CG 3.39Å; F248-L252 PolarHBondContact O-N 3.01Å; F248-I254 HydrophobicContact CD2-CD1 3.91Å; F248-I254 HydrophobicContact CE2-CD1 4.36Å; F248-F263 HydrophobicContact CE2-CB 4.44Å; F248-F263 AromaticContact CE2-CD2 3.98Å; F248-F263 HydrophobicContact CE2-CD2 3.98Å; F248-F263 HydrophobicContact CE2-CE2 4.43Å; F248-F263 HydrophobicContact CE2-CG 4.16Å; F248-F263 HydrophobicContact CZ-CB 3.69Å; F248-F263 HydrophobicContact CZ-CD2 4.08Å; F248-F263 AromaticContact CZ-CG 3.86Å; F248-F263 HydrophobicContact CZ-CG 3.86Å
249P91.8Very high90.7Very high12 Ų1275.2 Ų75.28%0.07841%0.411CS..Hα-helixtrans-62.8-39.9177.1-20.732.4000112L217 Q247 N253 I254L217-P249 HydrophobicContact CD2-CG 3.48Å; L217-P249 VanDerWaalsContact CD2-CG 3.48Å; Q247-P249 VanDerWaalsContact C-N 3.35Å; P249-N253 CarbonylContact O-C 3.45Å; P249-N253 WeakPolarHBondContact O-CA 3.12Å; P249-N253 PolarHBondContact O-N 3.4Å; P249-N253 VanDerWaalsContact O-N 3.13Å; P249-I254 PolarHBondContact O-N 2.96Å
250I91.5Very high90.1Very high134 Ų13472.3 Ų72.369%0.68740%0.404SS*.Hα-helixtrans-70.8-49.7177.4-59.7174.9000109.6Q247 F248 L252 N253Q247-I250 HydrophobicContact CB-CD1 4.4Å; Q247-I250 PolarHBondContact O-N 2.96Å; F248-I250 VanDerWaalsContact C-N 3.3Å; F248-I250 PolarHBondContact O-N 3.19Å; I250-L252 VanDerWaalsContact C-N 3.34Å; I250-L252 PolarHBondContact O-N 3.12Å; I250-N253 PolarHBondContact O-N 2.89Å
251E93.3Very high89.7Confident123 Ų12371.6 Ų71.658%0.57539%0.393SS*.Hα-helixtrans-70.4-27.7-172.5-67.6-108.8-14700113.6Y246 Q247 F248Y246-E251 HydrophobicContact CD2-CG 4.37Å; Y246-E251 HydrophobicContact CE2-CB 3.62Å; Y246-E251 HydrophobicContact CE2-CG 3.56Å; Y246-E251 VanDerWaalsContact OH-CB 3.27Å; Y246-E251 WeakPolarHBondContact OH-CB 3.45Å; Q247-E251 WeakPolarHBondContact O-CG 3.49Å; Q247-E251 PolarHBondContact O-N 3.13Å; Q247-E251 VanDerWaalsContact O-N 3.08Å; F248-E251 PolarHBondContact O-N 2.66Å
252L93.8Very high89.5Confident43 Ų4369.4 Ų69.423%0.22537%0.365CS..THydrogen-bonded Turntrans-102.93.4176.6-58.5178.8000112.8V42 Q45 I46 F248 I250 I254V42-L252 HydrophobicContact CG1-CD1 4.29Å; Q45-L252 HydrophobicContact CB-CD1 3.99Å; Q45-L252 HydrophobicContact CB-CD2 4.06Å; I46-L252 HydrophobicContact CG1-CD1 3.8Å; F248-L252 HydrophobicContact CB-CD1 4.26Å; F248-L252 VanDerWaalsContact O-CB 3.24Å; F248-L252 WeakPolarHBondContact O-CB 3.44Å; F248-L252 WeakPolarHBondContact O-CG 3.39Å; F248-L252 PolarHBondContact O-N 3.01Å; I250-L252 VanDerWaalsContact C-N 3.34Å; I250-L252 PolarHBondContact O-N 3.12Å; L252-I254 VanDerWaalsContact C-N 3.35Å; L252-I254 HydrophobicContact CB-CD1 3.53Å; L252-I254 HydrophobicContact CB-CG1 3.78Å; L252-I254 HydrophobicContact CD1-CD1 3.85Å; L252-I254 HydrophobicContact CG-CD1 4.3Å; L252-I254 PolarHBondContact O-N 3Å
253N92.1Very high89.3Confident154 Ų15466.7 Ų66.782%0.82435%0.346SS*.THydrogen-bonded Turntrans51.449.8-177.6-167.637.8000113.1P249 I250P249-N253 CarbonylContact O-C 3.45Å; P249-N253 WeakPolarHBondContact O-CA 3.12Å; P249-N253 PolarHBondContact O-N 3.4Å; P249-N253 VanDerWaalsContact O-N 3.13Å; I250-N253 PolarHBondContact O-N 2.89Å
254I89.9Confident88.7Confident20 Ų2069.2 Ų69.210%0.10335%0.352CS..  trans-96.1141.4-179.1-59.2158.2000109.5V42 F248 P249 L252 L258V42-I254 HydrophobicContact CB-CD1 4.05Å; V42-I254 HydrophobicContact CG1-CD1 3.41Å; V42-I254 VanDerWaalsContact CG1-CD1 3.41Å; V42-I254 HydrophobicContact CG2-CD1 3.43Å; V42-I254 VanDerWaalsContact CG2-CD1 3.43Å; V42-I254 HydrophobicContact CG2-CG1 3.87Å; F248-I254 HydrophobicContact CD2-CD1 3.91Å; F248-I254 HydrophobicContact CE2-CD1 4.36Å; P249-I254 PolarHBondContact O-N 2.96Å; L252-I254 VanDerWaalsContact C-N 3.35Å; L252-I254 HydrophobicContact CB-CD1 3.53Å; L252-I254 HydrophobicContact CB-CG1 3.78Å; L252-I254 HydrophobicContact CD1-CD1 3.85Å; L252-I254 HydrophobicContact CG-CD1 4.3Å; L252-I254 PolarHBondContact O-N 3Å; I254-L258 HydrophobicContact CG2-CB 3.82Å; I254-L258 HydrophobicContact CG2-CD2 3.76Å; I254-L258 HydrophobicContact CG2-CG 3.97Å
255S86.2Confident88.4Confident69 Ų6965.9 Ų65.948%0.48334%0.34SS..  trans-63.2144.5177.672.20000111.8Q257 L258 S259S255-Q257 PolarHBondContact O-N 3.08Å; S255-Q257 VanDerWaalsContact O-N 3.13Å; S255-L258 PolarHBondContact O-N 2.86Å; S255-L258 VanDerWaalsContact O-N 3.1Å; S255-L258 PolarHBondContact OG-N 2.04Å; S255-S259 PolarHBondContact O-N 3.08Å; S255-S259 PolarHBondContact O-OG 2.99Å
256N81.1Confident88Confident126 Ų12668.1 Ų68.167%0.67435%0.348SS*.Hα-helixtrans-56.5-30.1174.5-75.9-13.2000112.5S259 T260N256-S259 VanDerWaalsContact CA-OG 3.31Å; N256-S259 WeakPolarHBondContact CA-OG 3.47Å; N256-S259 PolarHBondContact O-OG 2.87Å; N256-S259 VanDerWaalsContact O-OG 3.12Å; N256-T260 WeakPolarHBondContact O-CB 3.37Å; N256-T260 WeakPolarHBondContact O-CG2 3.34Å; N256-T260 PolarHBondContact O-N 3.44Å; N256-T260 PolarHBondContact O-OG1 3.38Å
257Q82.1Confident87.7Confident152 Ų15269.8 Ų69.871%0.7136%0.359SS*.Hα-helixtrans-67.1-47.1177.4-174.9179.62.900111.4S255 L261S255-Q257 PolarHBondContact O-N 3.08Å; S255-Q257 VanDerWaalsContact O-N 3.13Å; Q257-L261 WeakPolarHBondContact O-CB 3.31Å; Q257-L261 PolarHBondContact O-N 3.17Å
258L85.3Confident87.4Confident42 Ų4269.4 Ų69.422%0.2236%0.359CS..Hα-helixtrans-67.5-42.2177.7-177.761.2000110.5D38 V39 V42 I254 S255 E262D38-L258 HydrophobicContact CB-CD2 4.34Å; V39-L258 HydrophobicContact CG2-CD1 3.94Å; V42-L258 HydrophobicContact CG2-CD2 4.47Å; I254-L258 HydrophobicContact CG2-CB 3.82Å; I254-L258 HydrophobicContact CG2-CD2 3.76Å; I254-L258 HydrophobicContact CG2-CG 3.97Å; S255-L258 PolarHBondContact O-N 2.86Å; S255-L258 VanDerWaalsContact O-N 3.1Å; S255-L258 PolarHBondContact OG-N 2.04Å; L258-E262 HydrophobicContact CD1-CB 4.34Å; L258-E262 HydrophobicContact CD1-CG 3.89Å; L258-E262 WeakPolarHBondContact O-CB 3.44Å; L258-E262 PolarHBondContact O-N 2.91Å; L258-E262 VanDerWaalsContact O-N 3.17Å
259S83.3Confident87.1Confident3 Ų373 Ų732%0.02138%0.378CS..Hα-helixtrans-63.8-46.7-17865.90000112.7L217 S255 N256 F263L217-S259 WeakPolarHBondContact CD1-O 3.04Å; S255-S259 PolarHBondContact O-N 3.08Å; S255-S259 PolarHBondContact O-OG 2.99Å; N256-S259 VanDerWaalsContact CA-OG 3.31Å; N256-S259 WeakPolarHBondContact CA-OG 3.47Å; N256-S259 PolarHBondContact O-OG 2.87Å; N256-S259 VanDerWaalsContact O-OG 3.12Å; S259-F263 WeakPolarHBondContact O-CB 3.06Å; S259-F263 PolarHBondContact O-N 3Å; S259-F263 VanDerWaalsContact O-N 3.08Å
260T81.4Confident86.8Confident74 Ų7477.1 Ų77.145%0.45440%0.398SS..Hα-helixtrans-81.2-20.3-175.858.50000114.4N256N256-T260 WeakPolarHBondContact O-CB 3.37Å; N256-T260 WeakPolarHBondContact O-CG2 3.34Å; N256-T260 PolarHBondContact O-N 3.44Å; N256-T260 PolarHBondContact O-OG1 3.38Å
261L82.1Confident86.4Confident108 Ų10873 Ų7357%0.56538%0.377SS*.Hα-helixtrans-83.9-36.5177.3-175.565.1000112.2Q27 Q257Q27-L261 PolarHBondContact OE1-O 3.41Å; Q257-L261 WeakPolarHBondContact O-CB 3.31Å; Q257-L261 PolarHBondContact O-N 3.17Å
262E87.4Confident85.9Confident20 Ų2069.2 Ų69.29%0.09336%0.362CS..Hα-helixtrans-115.5-0.3-167.7-61.1-68157.200113.6K33 Q36 V39 L258K33-E262 WeakPolarHBondContact CE-O 3.46Å; K33-E262 WeakPolarHBondContact CE-OE2 3.45Å; K33-E262 VanDerWaalsContact NZ-C 3.3Å; K33-E262 PolarHBondContact NZ-O 3.07Å; K33-E262 IonicContact NZ-OE2 2.87Å; Q36-E262 VanDerWaalsContact NE2-CD 3.33Å; Q36-E262 PolarHBondContact NE2-OE1 2.84Å; Q36-E262 PolarHBondContact NE2-OE2 3.04Å; Q36-E262 PolarHBondContact OE1-OE1 3.32Å; V39-E262 HydrophobicContact CG1-CB 4.4Å; V39-E262 HydrophobicContact CG2-CB 3.88Å; V39-E262 HydrophobicContact CG2-CG 3.67Å; L258-E262 HydrophobicContact CD1-CB 4.34Å; L258-E262 HydrophobicContact CD1-CG 3.89Å; L258-E262 WeakPolarHBondContact O-CB 3.44Å; L258-E262 PolarHBondContact O-N 2.91Å; L258-E262 VanDerWaalsContact O-N 3.17Å
263F89.6Confident85.2Confident4 Ų471.3 Ų71.32%0.01837%0.373CS..  trans-142.7163.7176.1-50.5-80.2000111.8F24 Q27 V39 V42 L43 L217 F248 S259F24-F263 HydrophobicContact CE1-CD1 4.39Å; F24-F263 HydrophobicContact CZ-CB 4.42Å; F24-F263 AromaticContact CZ-CD1 3.69Å; F24-F263 HydrophobicContact CZ-CD1 3.69Å; F24-F263 HydrophobicContact CZ-CE1 4.44Å; F24-F263 HydrophobicContact CZ-CG 4.37Å; Q27-F263 VanDerWaalsContact OE1-C 3.24Å; Q27-F263 PolarHBondContact OE1-O 3.35Å; V39-F263 HydrophobicContact CB-CZ 4.45Å; V39-F263 HydrophobicContact CG1-CE1 3.96Å; V39-F263 HydrophobicContact CG1-CZ 3.7Å; V42-F263 HydrophobicContact CB-CE2 4.47Å; V42-F263 HydrophobicContact CB-CZ 3.95Å; V42-F263 HydrophobicContact CG1-CE1 4.26Å; V42-F263 HydrophobicContact CG1-CE2 3.89Å; V42-F263 HydrophobicContact CG1-CZ 3.52Å; L43-F263 HydrophobicContact CD2-CD1 4.15Å; L43-F263 HydrophobicContact CD2-CE1 3.5Å; L43-F263 VanDerWaalsContact CD2-CE1 3.5Å; L43-F263 HydrophobicContact CG-CE1 3.81Å; L43-F263 HydrophobicContact CG-CZ 4.45Å; L217-F263 HydrophobicContact CD1-CB 3.58Å; F248-F263 HydrophobicContact CE2-CB 4.44Å; F248-F263 AromaticContact CE2-CD2 3.98Å; F248-F263 HydrophobicContact CE2-CD2 3.98Å; F248-F263 HydrophobicContact CE2-CE2 4.43Å; F248-F263 HydrophobicContact CE2-CG 4.16Å; F248-F263 HydrophobicContact CZ-CB 3.69Å; F248-F263 HydrophobicContact CZ-CD2 4.08Å; F248-F263 AromaticContact CZ-CG 3.86Å; F248-F263 HydrophobicContact CZ-CG 3.86Å; S259-F263 WeakPolarHBondContact O-CB 3.06Å; S259-F263 PolarHBondContact O-N 3Å; S259-F263 VanDerWaalsContact O-N 3.08Å
264R82.4Confident84.6Confident84 Ų8463.8 Ų63.832%0.31733%0.332SS..  trans-115.70173.5178.1174.9-106.9-142.8-6.2110.2Q27 D181 L217Q27-R264 HydrophobicContact CB-CB 4.09Å; D181-R264 IonicContact OD2-NH1 2.84Å; D181-R264 PolarHBondContact OD2-NH1 3.02Å; L217-R264 WeakPolarHBondContact CG-OXT 3.44Å; L217-R264 PolarHBondContact N-OXT 3.44Å

Retrieved 264 of 264 residues in 187.4 ms (Link to these results)

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