A0A3Q0KRY9_SCHMA Loading...

Replication termination factor 2

AlphaFold DB , UniProt , Accession A0A3Q0KRY9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 282 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
1M53.4Low65.9Low256 Ų256131.3 Ų131.3100%1.26179%0.791SS**  0128.30-82.6176.5161.800107.7
2G63.7Low66.5Low83 Ų83130.8 Ų130.886%0.85678%0.781SS**  trans113.873.6-174.900000111.7
3G57.9Low66.9Low75 Ų75128.8 Ų128.877%0.77376%0.764SS**  trans-73.1122.8-16900000114.4G5G3-G5 VanDerWaalsContact C-N 3.32Å; G3-G5 PolarHBondContact O-N 2.96Å
4D60.1Low67.3Low170 Ų170129.6 Ų129.691%0.90976%0.762SS**  9.873124.4-146.42.6000115.3G6D4-G6 PolarHBondContact O-N 3.47Å
5G60.4Low67.7Low71 Ų71126.3 Ų126.373%0.73274%0.744SS**  trans-80.896.6170.200000108.7G3 S7G3-G5 VanDerWaalsContact C-N 3.32Å; G3-G5 PolarHBondContact O-N 2.96Å; G5-S7 PolarHBondContact O-N 3.32Å
6G63.8Low67.8Low64 Ų64129.6 Ų129.666%0.6675%0.746SS**  trans-42.5107.6-177.400000113.7D4 I8D4-G6 PolarHBondContact O-N 3.47Å; G6-I8 VanDerWaalsContact C-N 3.32Å; G6-I8 PolarHBondContact O-N 2.86Å
7S71.1Confident67.6Low113 Ų113129.1 Ų129.179%0.7975%0.748SS**  trans-69.191.4163.954.30000108.1G5 P9G5-S7 PolarHBondContact O-N 3.32Å; S7-P9 WeakPolarHBondContact O-CD 3.47Å; S7-P9 VanDerWaalsContact O-N 3.17Å
8I72.4Confident67.2Low148 Ų148133.3 Ų133.376%0.75976%0.756SS**  trans-61.2115169.1-61.3173.7000106.5G6 R10G6-I8 VanDerWaalsContact C-N 3.32Å; G6-I8 PolarHBondContact O-N 2.86Å; I8-R10 PolarHBondContact O-N 3.36Å
9P73.1Confident67Low79 Ų79133.3 Ų133.351%0.51375%0.747SS.*  trans-56.4125.2179.1-22.232.9000109.1S7 D13 L14S7-P9 WeakPolarHBondContact O-CD 3.47Å; S7-P9 VanDerWaalsContact O-N 3.17Å; P9-D13 HydrophobicContact CB-CB 4.4Å; P9-L14 HydrophobicContact CB-CD1 4.39Å
10R74.9Confident67.2Low181 Ų181136.1 Ų136.168%0.68375%0.751SS**  trans-70157.5175.7-70.8-173.6-76.3-152.3-2.5108.5I8 D12 D13 L14I8-R10 PolarHBondContact O-N 3.36Å; R10-D12 PolarHBondContact O-N 3.36Å; R10-D13 PolarHBondContact N-OD2 3.46Å; R10-D13 WeakPolarHBondContact O-CA 3.32Å; R10-D13 WeakPolarHBondContact O-CB 3.37Å; R10-D13 PolarHBondContact O-N 3.46Å; R10-L14 PolarHBondContact O-N 3.34Å; R10-L14 VanDerWaalsContact O-N 3.1Å
11R74.3Confident67.5Low204 Ų204137.6 Ų137.677%0.7775%0.752SS**Hα-helixtrans-51.3-34.6177.7-174.7179.3177.594.7-1.6111.8D13 L14 V15R11-D13 VanDerWaalsContact C-N 3.29Å; R11-D13 PolarHBondContact O-N 3.01Å; R11-L14 PolarHBondContact O-N 3.32Å; R11-V15 HydrophobicContact CG-CG2 4.16Å; R11-V15 VanDerWaalsContact O-CB 3.32Å; R11-V15 WeakPolarHBondContact O-CB 3.34Å; R11-V15 PolarHBondContact O-N 3.36Å
12D73.1Confident68.8Low125 Ų125130.5 Ų130.567%0.66872%0.716SS**Hα-helixtrans-68.8-26.6178.9-52-30.7000113R10R10-D12 PolarHBondContact O-N 3.36Å
13D71.3Confident69.6Low105 Ų105130.5 Ų130.556%0.56170%0.699SS**Hα-helixtrans-82.6-36.9175.8-55-45.1000111.1P9 R10 R11P9-D13 HydrophobicContact CB-CB 4.4Å; R10-D13 PolarHBondContact N-OD2 3.46Å; R10-D13 WeakPolarHBondContact O-CA 3.32Å; R10-D13 WeakPolarHBondContact O-CB 3.37Å; R10-D13 PolarHBondContact O-N 3.46Å; R11-D13 VanDerWaalsContact C-N 3.29Å; R11-D13 PolarHBondContact O-N 3.01Å
14L73.3Confident71Confident141 Ų141129.4 Ų129.474%0.73868%0.683SS**Hα-helixtrans-82-30.4-177.7-151.572.7000112.6P9 R10 R11P9-L14 HydrophobicContact CB-CD1 4.39Å; R10-L14 PolarHBondContact O-N 3.34Å; R10-L14 VanDerWaalsContact O-N 3.1Å; R11-L14 PolarHBondContact O-N 3.32Å
15V73Confident72.4Confident80 Ų80128.1 Ų128.149%0.48567%0.671SS.*SBendtrans-106.892.8175.5-174.70000107.7R11 P17R11-V15 HydrophobicContact CG-CG2 4.16Å; R11-V15 VanDerWaalsContact O-CB 3.32Å; R11-V15 WeakPolarHBondContact O-CB 3.34Å; R11-V15 PolarHBondContact O-N 3.36Å; V15-P17 WeakPolarHBondContact O-CD 3.43Å
16K68.6Low73.6Confident179 Ų179133 Ų13378%0.77867%0.668SS**  trans-48.4118.9168.5-69.6-179.8-179.3178.30108K18K16-K18 PolarHBondContact O-N 3.22Å
17P65.1Low74.8Confident120 Ų120135.4 Ų135.478%0.77966%0.662SS**  trans-60.1107.6176.323.6-32.2000107.2V15 K19V15-P17 WeakPolarHBondContact O-CD 3.43Å; P17-K19 PolarHBondContact O-N 3.24Å
18K60.5Low75.7Confident205 Ų205132.5 Ų132.589%0.89164%0.644SS**  trans-65.1106.9177.9-81.1-173.6175-179.60108.2K16 K20K16-K18 PolarHBondContact O-N 3.22Å; K18-K20 PolarHBondContact O-N 3.13Å
19K62.6Low76.6Confident133 Ų133128.1 Ų128.158%0.57863%0.631SS**  trans25.479.6154.5-64174.4176-175.20116.8P17 Q21 E22P17-K19 PolarHBondContact O-N 3.24Å; K19-Q21 PolarHBondContact O-N 3.28Å; K19-Q21 VanDerWaalsContact O-N 3.09Å; K19-E22 HydrophobicContact CB-CB 3.72Å; K19-E22 HydrophobicContact CD-CB 4.04Å; K19-E22 WeakPolarHBondContact CD-OE2 3.48Å; K19-E22 IonicContact NZ-OE2 2.85Å; K19-E22 PolarHBondContact NZ-OE2 3.22Å; K19-E22 PolarHBondContact O-N 2.94Å
20K71.3Confident77.5Confident190 Ų190125 Ų12583%0.82661%0.61SS**Hα-helixtrans-49.6-32.3163.6-173.9174.5179.7178.70112.8K18 A24K18-K20 PolarHBondContact O-N 3.13Å; K20-A24 PolarHBondContact O-N 2.98Å
21Q73.7Confident78.2Confident167 Ų167120.8 Ų120.878%0.7860%0.599SS**Hα-helixtrans-66.1-39.1176.5-70.8177.3-26.700113.4K19 V23 A24 E25K19-Q21 PolarHBondContact O-N 3.28Å; K19-Q21 VanDerWaalsContact O-N 3.09Å; Q21-V23 VanDerWaalsContact C-N 3.33Å; Q21-V23 PolarHBondContact O-N 3.49Å; Q21-A24 PolarHBondContact O-N 3.1Å; Q21-E25 WeakPolarHBondContact O-CB 3.44Å; Q21-E25 PolarHBondContact O-N 2.97Å
22E80.6Confident79.1Confident108 Ų108113.9 Ų113.951%0.50559%0.585SS.*Hα-helixtrans-68.7-34.7-178.6-172.1176.6140.100111.4K19 R26K19-E22 HydrophobicContact CB-CB 3.72Å; K19-E22 HydrophobicContact CD-CB 4.04Å; K19-E22 WeakPolarHBondContact CD-OE2 3.48Å; K19-E22 IonicContact NZ-OE2 2.85Å; K19-E22 PolarHBondContact NZ-OE2 3.22Å; K19-E22 PolarHBondContact O-N 2.94Å; E22-R26 WeakPolarHBondContact O-CB 3.45Å; E22-R26 PolarHBondContact O-N 3.41Å; E22-R26 VanDerWaalsContact O-N 3.1Å
23V81.7Confident80Confident82 Ų82110.7 Ų110.750%0.49757%0.568SS.*Hα-helixtrans-66.9-47.2174.5-178.40000110.7Q21 E25 R26 E27Q21-V23 VanDerWaalsContact C-N 3.33Å; Q21-V23 PolarHBondContact O-N 3.49Å; V23-E25 VanDerWaalsContact C-N 3.33Å; V23-E25 PolarHBondContact O-N 3.31Å; V23-R26 PolarHBondContact O-N 3.38Å; V23-E27 WeakPolarHBondContact O-CG 3.29Å; V23-E27 PolarHBondContact O-N 2.97Å
24A85.5Confident81.1Confident53 Ų53106.2 Ų106.244%0.43854%0.543SS..Hα-helixtrans-62.1-39.5178.400000112.4K20 Q21 E27 A28K20-A24 PolarHBondContact O-N 2.98Å; Q21-A24 PolarHBondContact O-N 3.1Å; A24-E27 PolarHBondContact O-N 3.49Å; A24-A28 WeakPolarHBondContact O-CB 3.42Å; A24-A28 PolarHBondContact O-N 3.18Å
25E89.3Confident81.9Confident143 Ų143102 Ų10267%0.66852%0.519SS*.Hα-helixtrans-64.8-40.6176.1-173.8174.8-17100111.8Q21 V23 A28 A29Q21-E25 WeakPolarHBondContact O-CB 3.44Å; Q21-E25 PolarHBondContact O-N 2.97Å; V23-E25 VanDerWaalsContact C-N 3.33Å; V23-E25 PolarHBondContact O-N 3.31Å; E25-A28 PolarHBondContact O-N 3.18Å; E25-A29 WeakPolarHBondContact O-CB 3.43Å; E25-A29 PolarHBondContact O-N 2.94Å
26R86.6Confident82.9Confident174 Ų174101.4 Ų101.466%0.65751%0.511SS*.Hα-helixtrans-64.7-42176-176176.8179.6160.40.9112.4E22 V23 A29 N30E22-R26 WeakPolarHBondContact O-CB 3.45Å; E22-R26 PolarHBondContact O-N 3.41Å; E22-R26 VanDerWaalsContact O-N 3.1Å; V23-R26 PolarHBondContact O-N 3.38Å; R26-A29 PolarHBondContact O-N 2.96Å; R26-N30 WeakPolarHBondContact O-CB 3.34Å; R26-N30 PolarHBondContact O-N 3.1Å
27E88.2Confident84.1Confident114 Ų11493 Ų9353%0.53347%0.474SS..Hα-helixtrans-64.5-42.4176-72.9174.5-176.400111.3V23 A24 N30 M31V23-E27 WeakPolarHBondContact O-CG 3.29Å; V23-E27 PolarHBondContact O-N 2.97Å; A24-E27 PolarHBondContact O-N 3.49Å; E27-N30 PolarHBondContact O-N 3Å; E27-M31 WeakPolarHBondContact O-CG 3.43Å; E27-M31 PolarHBondContact O-N 3.06Å
28A91.1Very high85.4Confident51 Ų5189.7 Ų89.742%0.42146%0.457SS..Hα-helixtrans-61.4-44.617500000112.4A24 E25 N30 M31 A32A24-A28 WeakPolarHBondContact O-CB 3.42Å; A24-A28 PolarHBondContact O-N 3.18Å; E25-A28 PolarHBondContact O-N 3.18Å; A28-N30 VanDerWaalsContact C-N 3.34Å; A28-N30 PolarHBondContact O-N 3.31Å; A28-M31 PolarHBondContact O-N 3.03Å; A28-A32 PolarHBondContact O-N 3.5Å
29A91.6Very high86.9Confident57 Ų5781.5 Ų81.547%0.47142%0.423SS..Hα-helixtrans-62.2-41176.100000112.1E25 R26 A32 L33E25-A29 WeakPolarHBondContact O-CB 3.43Å; E25-A29 PolarHBondContact O-N 2.94Å; R26-A29 PolarHBondContact O-N 2.96Å; A29-A32 PolarHBondContact O-N 3.42Å; A29-L33 WeakPolarHBondContact O-CB 3.49Å; A29-L33 PolarHBondContact O-N 2.92Å; A29-L33 VanDerWaalsContact O-N 3.08Å
30N91.6Very high88.3Confident14 Ų1478.1 Ų78.18%0.07541%0.413CS..Hα-helixtrans-65.6-42.9175.2-81.5-6.9000111.9R26 E27 A28 A32 L33 W34 G114 Q159R26-N30 WeakPolarHBondContact O-CB 3.34Å; R26-N30 PolarHBondContact O-N 3.1Å; E27-N30 PolarHBondContact O-N 3Å; A28-N30 VanDerWaalsContact C-N 3.34Å; A28-N30 PolarHBondContact O-N 3.31Å; N30-A32 VanDerWaalsContact C-N 3.34Å; N30-A32 PolarHBondContact O-N 3.09Å; N30-L33 PolarHBondContact O-N 2.92Å; N30-W34 WeakPolarHBondContact O-CB 3.32Å; N30-W34 VanDerWaalsContact O-CD1 3.23Å; N30-W34 PolarHBondContact O-N 3.05Å; N30-G114 PolarHBondContact ND2-O 3.42Å; N30-Q159 PolarHBondContact OD1-NE2 3.34Å; N30-Q159 VanDerWaalsContact OD1-NE2 3.13Å
31M90.3Very high89.2Confident92 Ų9276.8 Ų76.845%0.45341%0.41SS..Hα-helixtrans-61.3-41.7175.8-74.6-172.4-75.500112.1E27 A28 L33 K35 H36E27-M31 WeakPolarHBondContact O-CG 3.43Å; E27-M31 PolarHBondContact O-N 3.06Å; A28-M31 PolarHBondContact O-N 3.03Å; M31-L33 VanDerWaalsContact C-N 3.31Å; M31-L33 PolarHBondContact O-N 3.01Å; M31-K35 WeakPolarHBondContact O-CA 3.35Å; M31-K35 VanDerWaalsContact O-CB 3.31Å; M31-K35 WeakPolarHBondContact O-CB 3.39Å; M31-K35 PolarHBondContact O-N 2.87Å; M31-H36 PolarHBondContact O-ND1 3.33Å
32A92Very high90.1Very high58 Ų5872.6 Ų72.648%0.47939%0.393SS..Hα-helixtrans-61.1-41.5175.300000111.8A28 A29 N30 H36A28-A32 PolarHBondContact O-N 3.5Å; A29-A32 PolarHBondContact O-N 3.42Å; N30-A32 VanDerWaalsContact C-N 3.34Å; N30-A32 PolarHBondContact O-N 3.09Å; A32-H36 WeakPolarHBondContact O-CB 3.44Å
33L92.6Very high90.7Very high59 Ų5969.3 Ų69.331%0.30938%0.381SS..Hα-helixtrans-77.2-33.1-175.1-172.859000113.5A29 N30 M31 N157 Q159A29-L33 WeakPolarHBondContact O-CB 3.49Å; A29-L33 PolarHBondContact O-N 2.92Å; A29-L33 VanDerWaalsContact O-N 3.08Å; N30-L33 PolarHBondContact O-N 2.92Å; M31-L33 VanDerWaalsContact C-N 3.31Å; M31-L33 PolarHBondContact O-N 3.01Å; L33-N157 HydrophobicContact CD1-CB 3.98Å; L33-N157 WeakPolarHBondContact CD1-OD1 3.42Å; L33-N157 HydrophobicContact CD2-CB 3.74Å; L33-N157 HydrophobicContact CG-CB 3.67Å; L33-N157 VanDerWaalsContact CG-CG 3.46Å; L33-N157 PolarHBondContact O-ND2 2.6Å; L33-Q159 HydrophobicContact CD2-CG 4.36Å
34W93.2Very high91.3Very high10 Ų1065.6 Ų65.64%0.03836%0.358CS..Hα-helixtrans-105.3-22.7-171.7-71.180.8000114.8N30 L44 M112 G114 F118 I156 N157N30-W34 WeakPolarHBondContact O-CB 3.32Å; N30-W34 VanDerWaalsContact O-CD1 3.23Å; N30-W34 PolarHBondContact O-N 3.05Å; W34-L44 VanDerWaalsContact O-CD1 3.3Å; W34-L44 WeakPolarHBondContact O-CD1 3.28Å; W34-M112 WeakPolarHBondContact CB-O 3.38Å; W34-M112 HydrophobicContact CE3-CB 3.89Å; W34-M112 HydrophobicContact CE3-CE 3.81Å; W34-M112 HydrophobicContact CE3-CG 4.45Å; W34-M112 HydrophobicContact CZ3-CB 4.15Å; W34-M112 HydrophobicContact CZ3-CE 3.6Å; W34-M112 HydrophobicContact CZ3-CG 4.25Å; W34-G114 VanDerWaalsContact CD1-CA 3.49Å; W34-F118 HydrophobicContact CH2-CB 3.75Å; W34-F118 AromaticContact CH2-CD2 3.75Å; W34-F118 HydrophobicContact CH2-CD2 3.75Å; W34-F118 HydrophobicContact CH2-CG 4.13Å; W34-F118 HydrophobicContact CZ3-CB 3.77Å; W34-F118 AromaticContact CZ3-CD2 3.58Å; W34-F118 HydrophobicContact CZ3-CD2 3.58Å; W34-F118 HydrophobicContact CZ3-CE2 4.43Å; W34-F118 AromaticContact CZ3-CG 3.86Å; W34-F118 HydrophobicContact CZ3-CG 3.86Å; W34-I156 HydrophobicContact CH2-CB 4.37Å; W34-I156 HydrophobicContact CH2-CG2 4.24Å; W34-I156 HydrophobicContact CZ3-CG2 4.22Å; W34-N157 HydrophobicContact CZ2-CB 4.25Å
35K91.9Very high91.5Very high53 Ų5369 Ų6923%0.2336%0.36CS..Hα-helixtrans-107.9-8.5179.9-57.1-168.6175.1-165.70113.7M31 P43 L44 E111M31-K35 WeakPolarHBondContact O-CA 3.35Å; M31-K35 VanDerWaalsContact O-CB 3.31Å; M31-K35 WeakPolarHBondContact O-CB 3.39Å; M31-K35 PolarHBondContact O-N 2.87Å; K35-P43 CarbonylContact O-C 3.55Å; K35-P43 WeakPolarHBondContact O-CA 3.44Å; K35-L44 PolarHBondContact O-N 3.04Å; K35-E111 IonicContact NZ-OE1 3.72Å
36H93.2Very high91.6Very high68 Ų6866.1 Ų66.132%0.31535%0.347SS..BIsolated β-bridgetrans-124.6152.5-176.3-53.676.7000112.9M31 A32 Q41 D42M31-H36 PolarHBondContact O-ND1 3.33Å; A32-H36 WeakPolarHBondContact O-CB 3.44Å; H36-Q41 PolarHBondContact CD2-O 3.46Å; H36-Q41 VanDerWaalsContact CD2-O 3.23Å; H36-D42 CarbonylContact C-O 3.59Å; H36-D42 VanDerWaalsContact CA-O 3.24Å; H36-D42 WeakPolarHBondContact CA-O 3.07Å
37C93.9Very high91.9Very high2 Ų260.2 Ų60.21%0.01433%0.33CS..  trans-69.3126.1177.1177.90000110.3L39 Q41 D42 L44 N58C37-L39 PolarHBondContact O-N 3.31Å; C37-L39 VanDerWaalsContact O-N 3.1Å; C37-Q41 VanDerWaalsContact O-CA 3.23Å; C37-Q41 WeakPolarHBondContact O-CA 3.33Å; C37-Q41 PolarHBondContact O-N 3.13Å; C37-D42 WeakPolarHBondContact CB-O 3.28Å; C37-D42 PolarHBondContact N-O 3.34Å; C37-L44 HydrophobicContact CB-CD2 4.22Å; C37-N58 PolarHBondContact SG-N 3.1Å; C37-N58 VanDerWaalsContact SG-N 3.38Å
38A93Very high92.3Very high50 Ų5054.8 Ų54.841%0.41331%0.305SS..THydrogen-bonded Turntrans-69.4-8.1-179.500000114.5R55 L56 Y57A38-R55 HydrophobicContact CB-CB 4.3Å; A38-L56 WeakPolarHBondContact CB-O 3.34Å; A38-L56 PolarHBondContact N-O 3.44Å; A38-Y57 HydrophobicContact CB-CD1 3.94Å; A38-Y57 HydrophobicContact CB-CE1 3.58Å
39L91.2Very high92.5Very high33 Ų3352.6 Ų52.617%0.17329%0.287CS..THydrogen-bonded Turntrans-92.4-55173.3-78.9171.2000112.1C37 Y57 V62 K65 S76C37-L39 PolarHBondContact O-N 3.31Å; C37-L39 VanDerWaalsContact O-N 3.1Å; L39-Y57 HydrophobicContact CB-CD1 4.06Å; L39-Y57 HydrophobicContact CB-CE1 4.47Å; L39-Y57 HydrophobicContact CD1-CD1 3.77Å; L39-Y57 HydrophobicContact CD1-CE1 4.21Å; L39-Y57 HydrophobicContact CD1-CG 4.31Å; L39-Y57 HydrophobicContact CD2-CE1 4.29Å; L39-Y57 HydrophobicContact CG-CD1 3.44Å; L39-Y57 VanDerWaalsContact CG-CD1 3.44Å; L39-Y57 HydrophobicContact CG-CE1 3.6Å; L39-Y57 HydrophobicContact CG-CG 4.43Å; L39-V62 HydrophobicContact CD1-CG2 3.82Å; L39-K65 HydrophobicContact CD1-CD 4.26Å; L39-K65 HydrophobicContact CD2-CD 3.9Å; L39-S76 WeakPolarHBondContact CD2-OG 3.49Å
40T91.7Very high92.7Very high63 Ų6349.9 Ų49.939%0.38726%0.264SS..THydrogen-bonded Turntrans-104.5-10.9-169.155.50000113.8D42 S61T40-D42 WeakPolarHBondContact CB-OD2 3.11Å; T40-D42 PolarHBondContact O-N 3.44Å; T40-D42 VanDerWaalsContact OG1-CG 3.32Å; T40-D42 PolarHBondContact OG1-OD2 2.89Å; T40-S61 PolarHBondContact OG1-OG 3.01Å
41Q91.5Very high92.9Very high161 Ų16149.2 Ų49.275%0.75226%0.261SS*.  trans62.510.2-171.5-54.1177.1-10.100114.5H36 C37H36-Q41 PolarHBondContact CD2-O 3.46Å; H36-Q41 VanDerWaalsContact CD2-O 3.23Å; C37-Q41 VanDerWaalsContact O-CA 3.23Å; C37-Q41 WeakPolarHBondContact O-CA 3.33Å; C37-Q41 PolarHBondContact O-N 3.13Å
42D92.5Very high93Very high79 Ų7945.4 Ų45.442%0.42224%0.242SC..PPolyproline II helixtrans-69.2152.9171.6-59.5-42.4000111H36 C37 T40H36-D42 CarbonylContact C-O 3.59Å; H36-D42 VanDerWaalsContact CA-O 3.24Å; H36-D42 WeakPolarHBondContact CA-O 3.07Å; C37-D42 WeakPolarHBondContact CB-O 3.28Å; C37-D42 PolarHBondContact N-O 3.34Å; T40-D42 WeakPolarHBondContact CB-OD2 3.11Å; T40-D42 PolarHBondContact O-N 3.44Å; T40-D42 VanDerWaalsContact OG1-CG 3.32Å; T40-D42 PolarHBondContact OG1-OD2 2.89Å
43P93.1Very high93.1Very high39 Ų3943.8 Ų43.825%0.25323%0.225SC..BIsolated β-bridgetrans-52142.3169.423-35.6000112K35 R45 N58 E99K35-P43 CarbonylContact O-C 3.55Å; K35-P43 WeakPolarHBondContact O-CA 3.44Å; P43-R45 PolarHBondContact O-N 2.86Å; P43-N58 PolarHBondContact O-ND2 3.03Å; P43-E99 WeakPolarHBondContact CG-OE1 3.29Å
44L93.1Very high93.2Very high5 Ų541 Ų413%0.02621%0.211CC..PPolyproline II helixtrans-69.3126.1178.6-72.8176.3000110.4W34 K35 C37 V48 L56 N58 F103W34-L44 VanDerWaalsContact O-CD1 3.3Å; W34-L44 WeakPolarHBondContact O-CD1 3.28Å; K35-L44 PolarHBondContact O-N 3.04Å; C37-L44 HydrophobicContact CB-CD2 4.22Å; L44-V48 HydrophobicContact CB-CG2 4.21Å; L44-V48 HydrophobicContact CD2-CG1 4.19Å; L44-L56 HydrophobicContact CD1-CB 4.01Å; L44-L56 HydrophobicContact CD1-CD1 3.76Å; L44-L56 HydrophobicContact CD2-CB 4.21Å; L44-N58 VanDerWaalsContact CA-OD1 3.28Å; L44-N58 WeakPolarHBondContact CA-OD1 3.38Å; L44-N58 WeakPolarHBondContact CD2-OD1 3.43Å; L44-F103 HydrophobicContact CB-CE2 4.01Å
45R90.9Very high93.2Very high123 Ų12344.2 Ų44.246%0.46422%0.223SC..  trans-121.8138.5176.7-63-180-174.4-171.7-6.1109.7P43 P47 V48 N58 E99P43-R45 PolarHBondContact O-N 2.86Å; R45-P47 CarbonylContact O-C 3.56Å; R45-P47 VanDerWaalsContact O-C 3.26Å; R45-V48 WeakPolarHBondContact O-CG2 3.33Å; R45-N58 PolarHBondContact N-OD1 3.2Å; R45-N58 PolarHBondContact O-OD1 3.35Å; R45-E99 WeakPolarHBondContact CG-OE1 3.49Å; R45-E99 IonicContact CZ-OE1 3.19Å; R45-E99 IonicContact CZ-OE2 3.63Å; R45-E99 IonicContact NE-OE1 2.6Å; R45-E99 PolarHBondContact NE-OE1 2.65Å; R45-E99 IonicContact NE-OE2 3.82Å; R45-E99 IonicContact NH2-OE1 3.01Å; R45-E99 PolarHBondContact NH2-OE1 3.38Å; R45-E99 IonicContact NH2-OE2 2.71Å; R45-E99 PolarHBondContact NH2-OE2 3.33Å
46Q90.3Very high93.4Very high84 Ų8441.8 Ų41.839%0.39321%0.212SC..SBendtrans-63.2134.9168.3-69.6-175.9-5.900110.5L90 F103Q46-L90 PolarHBondContact NE2-O 3.1Å; Q46-L90 VanDerWaalsContact NE2-O 3.08Å; Q46-F103 HydrophobicContact CG-CE1 3.81Å; Q46-F103 HydrophobicContact CG-CZ 4.18Å
47P93.9Very high93.5Very high49 Ų4938.6 Ų38.632%0.31820%0.198SC..SBendcis-80.2127.11.629.5-32.9000113.7R45 K59 E87R45-P47 CarbonylContact O-C 3.56Å; R45-P47 VanDerWaalsContact O-C 3.26Å; P47-K59 HydrophobicContact CB-CB 4.39Å; P47-K59 HydrophobicContact CB-CD 4.01Å; P47-K59 HydrophobicContact CG-CB 3.82Å; P47-K59 HydrophobicContact CG-CD 3.51Å; P47-K59 HydrophobicContact CG-CG 4.33Å; P47-K59 VanDerWaalsContact O-CB 3.29Å; P47-K59 WeakPolarHBondContact O-CB 3.44Å; P47-K59 PolarHBondContact O-N 2.7Å; P47-K59 VanDerWaalsContact O-N 3.13Å; P47-E87 HydrophobicContact CB-CG 4.24Å; P47-E87 WeakPolarHBondContact CB-OE1 3.4Å
48V95.2Very high93.5Very high1 Ų139 Ų391%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-91.4140.7174.8-179.40000109.3L44 R45 L56 L88 L90 F103L44-V48 HydrophobicContact CB-CG2 4.21Å; L44-V48 HydrophobicContact CD2-CG1 4.19Å; R45-V48 WeakPolarHBondContact O-CG2 3.33Å; V48-L56 HydrophobicContact CG1-CB 4.34Å; V48-L56 HydrophobicContact CG1-CD2 4.32Å; V48-L88 HydrophobicContact CG1-CD1 4.47Å; V48-L88 PolarHBondContact O-N 3.33Å; V48-L90 HydrophobicContact CB-CD1 3.71Å; V48-L90 HydrophobicContact CG1-CD1 4.01Å; V48-L90 HydrophobicContact CG2-CD1 3.87Å; V48-F103 HydrophobicContact CG2-CE2 4.27Å; V48-F103 HydrophobicContact CG2-CZ 3.97Å
49V96.7Very high93.7Very high5 Ų540 Ų403%0.0319%0.194CC..EExtended strand (participates in β ladder)trans-128.1153.9-179-54.50000110.9Y57 K59 V62 V85 K86 E87V49-Y57 WeakPolarHBondContact CG2-O 3.46Å; V49-Y57 PolarHBondContact N-O 2.87Å; V49-Y57 PolarHBondContact O-N 2.84Å; V49-K59 HydrophobicContact CG1-CB 3.71Å; V49-K59 HydrophobicContact CG1-CD 4.22Å; V49-K59 HydrophobicContact CG1-CG 3.83Å; V49-V62 HydrophobicContact CG2-CG2 3.79Å; V49-V85 HydrophobicContact CB-CG1 3.33Å; V49-V85 HydrophobicContact CG1-CG1 4.26Å; V49-V85 HydrophobicContact CG2-CG1 3.33Å; V49-K86 CarbonylContact C-O 3.59Å; V49-K86 VanDerWaalsContact CA-O 3.32Å; V49-K86 WeakPolarHBondContact CA-O 3.09Å; V49-E87 HydrophobicContact CG1-CB 4.2Å; V49-E87 HydrophobicContact CG1-CG 4.38Å
50S96.1Very high93.8Very high0 Ų044.5 Ų44.50%022%0.215CC..EExtended strand (participates in β ladder)trans-134.2146.7179.958.90000113.1R55 V85 K86 L88 Y120S50-R55 WeakPolarHBondContact CA-O 3.29Å; S50-R55 WeakPolarHBondContact CB-O 3.43Å; S50-V85 CarbonylContact O-C 3.55Å; S50-V85 WeakPolarHBondContact O-CA 3.44Å; S50-K86 PolarHBondContact N-O 3.42Å; S50-K86 PolarHBondContact O-N 3.27Å; S50-L88 VanDerWaalsContact OG-CD2 3.23Å; S50-L88 WeakPolarHBondContact OG-CD2 3.44Å; S50-Y120 WeakPolarHBondContact OG-CE1 3.33Å; S50-Y120 VanDerWaalsContact OG-CE2 3.29Å; S50-Y120 WeakPolarHBondContact OG-CE2 3.33Å; S50-Y120 PolarHBondContact OG-OH 2.83Å; S50-Y120 VanDerWaalsContact OG-OH 3.07Å
51C94.6Very high93.9Very high0 Ų042 Ų420%020%0.2CC..EExtended strand (participates in β ladder)trans-92.5167.4173680000111.4L53 G54 R55 Y57 H78 I79 V85 Y120C51-L53 PolarHBondContact O-N 3.19Å; C51-G54 PolarHBondContact O-N 2.94Å; C51-R55 PolarHBondContact N-O 2.85Å; C51-Y57 HydrophobicContact CB-CE2 3.93Å; C51-H78 VanDerWaalsContact CB-NE2 3.31Å; C51-H78 WeakPolarHBondContact CB-NE2 3.4Å; C51-H78 PolarHBondContact SG-NE2 3.06Å; C51-I79 HydrophobicContact CB-CD1 4.13Å; C51-I79 HydrophobicContact CB-CG1 4.29Å; C51-V85 HydrophobicContact CB-CG2 4.37Å; C51-Y120 PolarHBondContact O-OH 3.32Å
52L93.2Very high94Very high11 Ų1134.5 Ų34.56%0.05817%0.165CC..THydrogen-bonded Turntrans-58.7-17.1177-69.9165.6000115W122 I154 L171 F174L52-W122 HydrophobicContact CD1-CH2 4.43Å; L52-W122 HydrophobicContact CD1-CZ2 4.32Å; L52-W122 HydrophobicContact CD2-CD2 3.57Å; L52-W122 HydrophobicContact CD2-CE3 3.57Å; L52-W122 HydrophobicContact CD2-CG 4.24Å; L52-W122 HydrophobicContact CD2-CH2 3.84Å; L52-W122 HydrophobicContact CD2-CZ2 3.83Å; L52-W122 HydrophobicContact CD2-CZ3 3.71Å; L52-W122 HydrophobicContact CG-CD2 4.48Å; L52-W122 HydrophobicContact CG-CE3 4.24Å; L52-W122 HydrophobicContact CG-CH2 3.67Å; L52-W122 HydrophobicContact CG-CZ2 3.92Å; L52-W122 HydrophobicContact CG-CZ3 3.84Å; L52-I154 HydrophobicContact CD2-CD1 3.72Å; L52-L171 HydrophobicContact CB-CB 4.46Å; L52-L171 HydrophobicContact CB-CD1 4.03Å; L52-L171 HydrophobicContact CD1-CD1 3.92Å; L52-F174 HydrophobicContact CD1-CB 3.57Å; L52-F174 HydrophobicContact CD1-CD1 3.34Å; L52-F174 HydrophobicContact CD1-CD2 4.08Å; L52-F174 HydrophobicContact CD1-CE1 3.98Å; L52-F174 HydrophobicContact CD1-CG 3.38Å
53L93.6Very high94.1Very high25 Ų2533.6 Ų33.613%0.13116%0.159CC..THydrogen-bonded Turntrans-78.7-6.9172.3-61178.5000113.3C51 P158 A167 K168 L171C51-L53 PolarHBondContact O-N 3.19Å; L53-P158 WeakPolarHBondContact O-CD 3.38Å; L53-A167 HydrophobicContact CD2-CB 4.28Å; L53-K168 HydrophobicContact CD2-CG 4.25Å; L53-L171 HydrophobicContact CD1-CD2 4.18Å; L53-L171 HydrophobicContact CD2-CB 3.98Å; L53-L171 HydrophobicContact CD2-CD2 3.79Å; L53-L171 HydrophobicContact CD2-CG 4.49Å; L53-L171 HydrophobicContact CG-CD2 3.97Å
54G94Very high94.1Very high0 Ų036.4 Ų36.40%017%0.173CC..  trans87.19.5179.400000115.2C51 L155 I156 N157C51-G54 PolarHBondContact O-N 2.94Å; G54-L155 WeakPolarHBondContact CA-O 3.31Å; G54-I156 CarbonylContact O-C 3.55Å; G54-I156 WeakPolarHBondContact O-CA 3.38Å; G54-N157 PolarHBondContact O-N 3.01Å; G54-N157 PolarHBondContact O-OD1 2.96Å
55R94.4Very high94Very high78 Ų7837.6 Ų37.629%0.29418%0.177SC..  trans-82.9146.3179-64.6179.8178.2173.1-0.4111.5A38 S50 C51 Y57 F75A38-R55 HydrophobicContact CB-CB 4.3Å; S50-R55 WeakPolarHBondContact CA-O 3.29Å; S50-R55 WeakPolarHBondContact CB-O 3.43Å; C51-R55 PolarHBondContact N-O 2.85Å; R55-Y57 HydrophobicContact CB-CE1 4.35Å; R55-Y57 HydrophobicContact CB-CE2 3.83Å; R55-Y57 WeakPolarHBondContact CB-OH 3.46Å; R55-Y57 WeakPolarHBondContact CD-OH 3.3Å; R55-Y57 WeakPolarHBondContact O-CE2 3.48Å; R55-F75 PolarHBondContact NH1-O 3.08Å
56L95.4Very high94Very high2 Ų234 Ų341%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-97.7138.8179.3-57.2178.8000111.6A38 L44 V48 L88 M112 I156A38-L56 WeakPolarHBondContact CB-O 3.34Å; A38-L56 PolarHBondContact N-O 3.44Å; L44-L56 HydrophobicContact CD1-CB 4.01Å; L44-L56 HydrophobicContact CD1-CD1 3.76Å; L44-L56 HydrophobicContact CD2-CB 4.21Å; V48-L56 HydrophobicContact CG1-CB 4.34Å; V48-L56 HydrophobicContact CG1-CD2 4.32Å; L56-L88 HydrophobicContact CD2-CD1 3.5Å; L56-M112 HydrophobicContact CD1-CE 4.4Å; L56-I156 HydrophobicContact CD1-CG2 3.95Å; L56-I156 HydrophobicContact CD2-CD1 4.47Å; L56-I156 HydrophobicContact CD2-CG2 3.93Å; L56-I156 HydrophobicContact CG-CG2 3.91Å
57Y95.4Very high94.1Very high1 Ų136.2 Ų36.20%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-140.7152.6178.7-48.9-78.1000110.6A38 L39 V49 C51 R55 V62 I79A38-Y57 HydrophobicContact CB-CD1 3.94Å; A38-Y57 HydrophobicContact CB-CE1 3.58Å; L39-Y57 HydrophobicContact CB-CD1 4.06Å; L39-Y57 HydrophobicContact CB-CE1 4.47Å; L39-Y57 HydrophobicContact CD1-CD1 3.77Å; L39-Y57 HydrophobicContact CD1-CE1 4.21Å; L39-Y57 HydrophobicContact CD1-CG 4.31Å; L39-Y57 HydrophobicContact CD2-CE1 4.29Å; L39-Y57 HydrophobicContact CG-CD1 3.44Å; L39-Y57 VanDerWaalsContact CG-CD1 3.44Å; L39-Y57 HydrophobicContact CG-CE1 3.6Å; L39-Y57 HydrophobicContact CG-CG 4.43Å; V49-Y57 WeakPolarHBondContact CG2-O 3.46Å; V49-Y57 PolarHBondContact N-O 2.87Å; V49-Y57 PolarHBondContact O-N 2.84Å; C51-Y57 HydrophobicContact CB-CE2 3.93Å; R55-Y57 HydrophobicContact CB-CE1 4.35Å; R55-Y57 HydrophobicContact CB-CE2 3.83Å; R55-Y57 WeakPolarHBondContact CB-OH 3.46Å; R55-Y57 WeakPolarHBondContact CD-OH 3.3Å; R55-Y57 WeakPolarHBondContact O-CE2 3.48Å; Y57-V62 HydrophobicContact CD2-CG2 4.38Å; Y57-V62 HydrophobicContact CG-CG2 4.01Å; Y57-I79 HydrophobicContact CD2-CD1 4.24Å; Y57-I79 HydrophobicContact CE2-CD1 3.65Å
58N95Very high93.7Very high11 Ų1137.4 Ų37.46%0.05919%0.19CC..EExtended strand (participates in β ladder)trans-74.4135.8164.1-68.7-21.4000109.1C37 P43 L44 R45 E60 S61 V62C37-N58 PolarHBondContact SG-N 3.1Å; C37-N58 VanDerWaalsContact SG-N 3.38Å; P43-N58 PolarHBondContact O-ND2 3.03Å; L44-N58 VanDerWaalsContact CA-OD1 3.28Å; L44-N58 WeakPolarHBondContact CA-OD1 3.38Å; L44-N58 WeakPolarHBondContact CD2-OD1 3.43Å; R45-N58 PolarHBondContact N-OD1 3.2Å; R45-N58 PolarHBondContact O-OD1 3.35Å; N58-E60 PolarHBondContact O-N 2.99Å; N58-S61 PolarHBondContact O-N 3.37Å; N58-S61 VanDerWaalsContact O-N 3.15Å; N58-V62 PolarHBondContact O-N 2.87Å; N58-V62 VanDerWaalsContact O-N 3.16Å
59K95.4Very high92.9Very high69 Ų6946 Ų4630%0.323%0.228SC..Hα-helixtrans-56.1-40.5179.7-167.5172.5-179.9175.70111.8P47 V49 V62 I63 E87P47-K59 HydrophobicContact CB-CB 4.39Å; P47-K59 HydrophobicContact CB-CD 4.01Å; P47-K59 HydrophobicContact CG-CB 3.82Å; P47-K59 HydrophobicContact CG-CD 3.51Å; P47-K59 HydrophobicContact CG-CG 4.33Å; P47-K59 VanDerWaalsContact O-CB 3.29Å; P47-K59 WeakPolarHBondContact O-CB 3.44Å; P47-K59 PolarHBondContact O-N 2.7Å; P47-K59 VanDerWaalsContact O-N 3.13Å; V49-K59 HydrophobicContact CG1-CB 3.71Å; V49-K59 HydrophobicContact CG1-CD 4.22Å; V49-K59 HydrophobicContact CG1-CG 3.83Å; K59-V62 PolarHBondContact O-N 3.01Å; K59-I63 HydrophobicContact CG-CD1 3.97Å; K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.31Å; K59-I63 PolarHBondContact O-N 2.57Å; K59-E87 IonicContact NZ-OE1 2.87Å; K59-E87 PolarHBondContact NZ-OE1 2.81Å; K59-E87 IonicContact NZ-OE2 3.83Å; K59-E87 PolarHBondContact NZ-OE2 3.34Å
60E94.7Very high91.8Very high129 Ų12948.8 Ų48.860%0.60325%0.247SC*.Hα-helixtrans-60.3-47177.6-60.8-176.1163.500111.8N58 V62 I63 N64N58-E60 PolarHBondContact O-N 2.99Å; E60-V62 VanDerWaalsContact C-N 3.32Å; E60-V62 PolarHBondContact O-N 3.19Å; E60-I63 PolarHBondContact O-N 3.33Å; E60-N64 WeakPolarHBondContact O-CB 3.35Å; E60-N64 VanDerWaalsContact O-CG 3.22Å; E60-N64 PolarHBondContact O-N 3.35Å; E60-N64 PolarHBondContact O-ND2 2.93Å
61S93.7Very high90.1Very high11 Ų1156.6 Ų56.68%0.07729%0.289CS..Hα-helixtrans-59.9-41177.7-52.50000112.2T40 N58 K65T40-S61 PolarHBondContact OG1-OG 3.01Å; N58-S61 PolarHBondContact O-N 3.37Å; N58-S61 VanDerWaalsContact O-N 3.15Å; S61-K65 WeakPolarHBondContact O-CB 3.5Å; S61-K65 PolarHBondContact O-N 2.87Å
62V93.7Very high88.5Confident3 Ų358.2 Ų58.22%0.01831%0.306CS..Hα-helixtrans-65.8-43.5176.6176.90000111.1L39 V49 Y57 N58 K59 E60 K65 L66 I79 V85L39-V62 HydrophobicContact CD1-CG2 3.82Å; V49-V62 HydrophobicContact CG2-CG2 3.79Å; Y57-V62 HydrophobicContact CD2-CG2 4.38Å; Y57-V62 HydrophobicContact CG-CG2 4.01Å; N58-V62 PolarHBondContact O-N 2.87Å; N58-V62 VanDerWaalsContact O-N 3.16Å; K59-V62 PolarHBondContact O-N 3.01Å; E60-V62 VanDerWaalsContact C-N 3.32Å; E60-V62 PolarHBondContact O-N 3.19Å; V62-K65 PolarHBondContact O-N 3.01Å; V62-L66 HydrophobicContact CG1-CD1 4.12Å; V62-L66 HydrophobicContact CG1-CG 4.49Å; V62-L66 WeakPolarHBondContact O-CG 3.09Å; V62-L66 PolarHBondContact O-N 3.09Å; V62-I79 HydrophobicContact CG1-CG2 3.98Å; V62-V85 HydrophobicContact CG1-CG2 4.47Å
63I94.2Very high87.3Confident59 Ų5962.9 Ų62.930%0.30333%0.331SS..Hα-helixtrans-62.1-48.3178-69.3164.1000110.3K59 E60 K65 L66 L67 L82K59-I63 HydrophobicContact CG-CD1 3.97Å; K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.31Å; K59-I63 PolarHBondContact O-N 2.57Å; E60-I63 PolarHBondContact O-N 3.33Å; I63-K65 VanDerWaalsContact C-N 3.28Å; I63-K65 PolarHBondContact O-N 2.69Å; I63-L66 PolarHBondContact O-N 3.31Å; I63-L66 VanDerWaalsContact O-N 3.1Å; I63-L67 HydrophobicContact CG2-CD1 3.77Å; I63-L67 HydrophobicContact CG2-CG 4.29Å; I63-L67 WeakPolarHBondContact O-CG 3.29Å; I63-L67 PolarHBondContact O-N 3.45Å; I63-L82 HydrophobicContact CG1-CD2 3.87Å
64N92.6Very high86.4Confident99 Ų9964.2 Ų64.253%0.52935%0.35SS..Hα-helixtrans-59.6-39.7178.7-69.4-19.6000111.8E60 L67 S68E60-N64 WeakPolarHBondContact O-CB 3.35Å; E60-N64 VanDerWaalsContact O-CG 3.22Å; E60-N64 PolarHBondContact O-N 3.35Å; E60-N64 PolarHBondContact O-ND2 2.93Å; N64-L67 PolarHBondContact O-N 3.08Å; N64-S68 WeakPolarHBondContact O-CB 3.12Å; N64-S68 PolarHBondContact O-N 3.15Å; N64-S68 PolarHBondContact O-OG 3.4Å
65K91.3Very high85.6Confident29 Ų2970.6 Ų70.613%0.12638%0.378CS..Hα-helixtrans-61.7-47.6173.2-169.5-168.6179.3-149.10112L39 S61 V62 I63 L67 S68 K69 S76L39-K65 HydrophobicContact CD1-CD 4.26Å; L39-K65 HydrophobicContact CD2-CD 3.9Å; S61-K65 WeakPolarHBondContact O-CB 3.5Å; S61-K65 PolarHBondContact O-N 2.87Å; V62-K65 PolarHBondContact O-N 3.01Å; I63-K65 VanDerWaalsContact C-N 3.28Å; I63-K65 PolarHBondContact O-N 2.69Å; K65-L67 VanDerWaalsContact C-N 3.28Å; K65-L67 PolarHBondContact O-N 2.71Å; K65-S68 PolarHBondContact O-N 3.03Å; K65-S68 PolarHBondContact O-OG 3.29Å; K65-S68 VanDerWaalsContact O-OG 3.06Å; K65-K69 PolarHBondContact O-N 3.29Å; K65-S76 VanDerWaalsContact CE-OG 3.28Å; K65-S76 WeakPolarHBondContact CE-OG 3.22Å; K65-S76 VanDerWaalsContact NZ-C 3.32Å; K65-S76 VanDerWaalsContact NZ-CB 3.33Å; K65-S76 PolarHBondContact NZ-O 3.01Å; K65-S76 PolarHBondContact NZ-OG 3.43Å
66L91.8Very high85Confident49 Ų4966.9 Ų66.926%0.25736%0.364SS..Hα-helixtrans-65.3-31.8-179.7-69.6174.7000112.6V62 I63 K80 L82V62-L66 HydrophobicContact CG1-CD1 4.12Å; V62-L66 HydrophobicContact CG1-CG 4.49Å; V62-L66 WeakPolarHBondContact O-CG 3.09Å; V62-L66 PolarHBondContact O-N 3.09Å; I63-L66 PolarHBondContact O-N 3.31Å; I63-L66 VanDerWaalsContact O-N 3.1Å; L66-K80 WeakPolarHBondContact CD2-O 3.49Å; L66-L82 HydrophobicContact CD1-CD2 3.67Å; L66-L82 HydrophobicContact CD1-CG 3.86Å
67L91.6Very high84.6Confident129 Ų12970.6 Ų70.668%0.67539%0.385SS*.Hα-helixtrans-74.6-42.2176.5-70.9171.7000112.6I63 N64 K65 K69I63-L67 HydrophobicContact CG2-CD1 3.77Å; I63-L67 HydrophobicContact CG2-CG 4.29Å; I63-L67 WeakPolarHBondContact O-CG 3.29Å; I63-L67 PolarHBondContact O-N 3.45Å; N64-L67 PolarHBondContact O-N 3.08Å; K65-L67 VanDerWaalsContact C-N 3.28Å; K65-L67 PolarHBondContact O-N 2.71Å; L67-K69 PolarHBondContact O-N 3.46Å
68S86.1Confident84.3Confident74 Ų7471.8 Ų71.852%0.51739%0.39SS..Hα-helixtrans-69.1-13.5-177.2580000114.2N64 K65 S70N64-S68 WeakPolarHBondContact O-CB 3.12Å; N64-S68 PolarHBondContact O-N 3.15Å; N64-S68 PolarHBondContact O-OG 3.4Å; K65-S68 PolarHBondContact O-N 3.03Å; K65-S68 PolarHBondContact O-OG 3.29Å; K65-S68 VanDerWaalsContact O-OG 3.06Å; S68-S70 PolarHBondContact O-N 3.4Å; S68-S70 PolarHBondContact OG-OG 3.36Å
69K77.6Confident84.2Confident183 Ų18371.6 Ų71.680%0.79639%0.389SS*.THydrogen-bonded Turntrans47.326.1-175.6-65-178.4-177.9173.70113.3K65 L67 N71K65-K69 PolarHBondContact O-N 3.29Å; L67-K69 PolarHBondContact O-N 3.46Å; K69-N71 PolarHBondContact O-N 3.39Å
70S72.5Confident83.8Confident62 Ų6276 Ų7643%0.43441%0.408SS..PPolyproline II helixtrans-63.3129.6177.346.20000109.1S68 G72S68-S70 PolarHBondContact O-N 3.4Å; S68-S70 PolarHBondContact OG-OG 3.36Å; S70-G72 PolarHBondContact O-N 2.92Å
71N61.1Low83.7Confident164 Ų16475.5 Ų75.588%0.87740%0.404SS*.PPolyproline II helixtrans-63.2125.1172.8-69.8-32.9000107.5K69K69-N71 PolarHBondContact O-N 3.39Å
72G61.5Low83.6Confident34 Ų3480.2 Ų80.235%0.35143%0.428SS..PPolyproline II helixtrans-70.5158.8-154.600000116S70 G74 D77S70-G72 PolarHBondContact O-N 2.92Å; G72-G74 PolarHBondContact O-N 3.3Å; G72-D77 VanDerWaalsContact CA-OD1 3.29Å; G72-D77 WeakPolarHBondContact CA-OD1 3.45Å
73D68.3Low83.5Confident109 Ų10990.3 Ų90.358%0.58347%0.465SS*.  trans-71.916.3179-47.4-56.5000113.3F75D73-F75 HydrophobicContact CB-CD2 4.34Å; D73-F75 WeakPolarHBondContact O-CD2 3.33Å; D73-F75 PolarHBondContact O-N 2.97Å
74G74.2Confident83.4Confident53 Ų5389.5 Ų89.555%0.54646%0.462SS..SBendtrans72.5-32.2-172.500000113.9G72 D77G72-G74 PolarHBondContact O-N 3.3Å; G74-D77 WeakPolarHBondContact CA-OD2 3.01Å; G74-D77 PolarHBondContact N-OD1 3.5Å
75F77.2Confident83.5Confident134 Ų13485.6 Ų85.659%0.58844%0.441SS*.SBendtrans-73.6-29.3-175.8-69-75.3000113.5R55 D73 H78R55-F75 PolarHBondContact NH1-O 3.08Å; D73-F75 HydrophobicContact CB-CD2 4.34Å; D73-F75 WeakPolarHBondContact O-CD2 3.33Å; D73-F75 PolarHBondContact O-N 2.97Å; F75-H78 PolarHBondContact O-CE1 3.12Å
76S82.1Confident83.8Confident0 Ų087 Ų870%045%0.447CS..SBendtrans-129.418.7-166.652.50000113.2L39 K65 H78 I79L39-S76 WeakPolarHBondContact CD2-OG 3.49Å; K65-S76 VanDerWaalsContact CE-OG 3.28Å; K65-S76 WeakPolarHBondContact CE-OG 3.22Å; K65-S76 VanDerWaalsContact NZ-C 3.32Å; K65-S76 VanDerWaalsContact NZ-CB 3.33Å; K65-S76 PolarHBondContact NZ-O 3.01Å; K65-S76 PolarHBondContact NZ-OG 3.43Å; S76-H78 PolarHBondContact O-N 3.26Å; S76-I79 PolarHBondContact O-N 3.23Å; S76-I79 VanDerWaalsContact O-N 3.08Å
77D86.8Confident84Confident81 Ų8189 Ų8943%0.43346%0.455SS..THydrogen-bonded Turntrans-65.8-19.5-176.5-64-0.9000113.7G72 G74 I79 K80G72-D77 VanDerWaalsContact CA-OD1 3.29Å; G72-D77 WeakPolarHBondContact CA-OD1 3.45Å; G74-D77 WeakPolarHBondContact CA-OD2 3.01Å; G74-D77 PolarHBondContact N-OD1 3.5Å; D77-I79 VanDerWaalsContact C-N 3.28Å; D77-K80 WeakPolarHBondContact O-CE 3.36Å
78H89.2Confident84.2Confident26 Ų2683.4 Ų83.412%0.1243%0.426CS..THydrogen-bonded Turntrans-74-18.8175.860.9-81.1000113C51 F75 S76 K80 L171C51-H78 VanDerWaalsContact CB-NE2 3.31Å; C51-H78 WeakPolarHBondContact CB-NE2 3.4Å; C51-H78 PolarHBondContact SG-NE2 3.06Å; F75-H78 PolarHBondContact O-CE1 3.12Å; S76-H78 PolarHBondContact O-N 3.26Å; H78-K80 PolarHBondContact O-N 3.37Å; H78-L171 HydrophobicContact CB-CD1 4.3Å; H78-L171 HydrophobicContact CB-CD2 3.72Å
79I91.7Very high84.6Confident7 Ų787.4 Ų87.44%0.03643%0.43CS..  trans-9297.9179.4-54.7170.8000108.2C51 Y57 V62 S76 D77 V85C51-I79 HydrophobicContact CB-CD1 4.13Å; C51-I79 HydrophobicContact CB-CG1 4.29Å; Y57-I79 HydrophobicContact CD2-CD1 4.24Å; Y57-I79 HydrophobicContact CE2-CD1 3.65Å; V62-I79 HydrophobicContact CG1-CG2 3.98Å; S76-I79 PolarHBondContact O-N 3.23Å; S76-I79 VanDerWaalsContact O-N 3.08Å; D77-I79 VanDerWaalsContact C-N 3.28Å; I79-V85 HydrophobicContact CB-CG2 4.33Å; I79-V85 HydrophobicContact CD1-CG2 3.75Å; I79-V85 HydrophobicContact CG1-CG2 3.82Å; I79-V85 HydrophobicContact CG2-CG2 3.59Å
80K88.4Confident85.3Confident162 Ų16279.5 Ų79.570%0.70440%0.396SS*.  trans-108.8-21.6179.6-62.3-175.8-179.5-175.40112.4L66 D77 H78 D84L66-K80 WeakPolarHBondContact CD2-O 3.49Å; D77-K80 WeakPolarHBondContact O-CE 3.36Å; H78-K80 PolarHBondContact O-N 3.37Å; K80-D84 PolarHBondContact N-OD2 3.42Å
81K91Very high86Confident117 Ų11778.2 Ų78.251%0.50939%0.387SS..SBendtrans-138.8157.5-179-56.2-173.9-176.2-157.10109.4R83 D84K81-R83 PolarHBondContact O-N 2.93Å; K81-D84 PolarHBondContact N-OD2 2.95Å; K81-D84 WeakPolarHBondContact O-CB 3.44Å; K81-D84 PolarHBondContact O-N 3.31Å
82L92.3Very high87.3Confident110 Ų11071.9 Ų71.958%0.57636%0.356SS*.G310 helixtrans-60.5-14.7171.7-68.4172000113.7I63 L66 V85I63-L82 HydrophobicContact CG1-CD2 3.87Å; L66-L82 HydrophobicContact CD1-CD2 3.67Å; L66-L82 HydrophobicContact CD1-CG 3.86Å; L82-V85 VanDerWaalsContact O-O 3.14Å
83R91.3Very high88.1Confident216 Ų21675 Ų7582%0.81537%0.368SS*.G310 helixtrans-80.6-16.6175.3-57.9-174.5-166.7-1762.3113.7K81 V85K81-R83 PolarHBondContact O-N 2.93Å; R83-V85 PolarHBondContact O-N 2.77Å
84D92.6Very high88.2Confident42 Ų4271.3 Ų71.323%0.22535%0.351CS..G310 helixtrans-79.8-0.8-179.9-56.4-31.5000111.8K80 K81K80-D84 PolarHBondContact N-OD2 3.42Å; K81-D84 PolarHBondContact N-OD2 2.95Å; K81-D84 WeakPolarHBondContact O-CB 3.44Å; K81-D84 PolarHBondContact O-N 3.31Å
85V95Very high87.8Confident17 Ų1774.3 Ų74.310%0.10336%0.364CS..EExtended strand (participates in β ladder)trans-134.9141.4-173.4169.60000108.2V49 S50 C51 V62 I79 L82 R83V49-V85 HydrophobicContact CB-CG1 3.33Å; V49-V85 HydrophobicContact CG1-CG1 4.26Å; V49-V85 HydrophobicContact CG2-CG1 3.33Å; S50-V85 CarbonylContact O-C 3.55Å; S50-V85 WeakPolarHBondContact O-CA 3.44Å; C51-V85 HydrophobicContact CB-CG2 4.37Å; V62-V85 HydrophobicContact CG1-CG2 4.47Å; I79-V85 HydrophobicContact CB-CG2 4.33Å; I79-V85 HydrophobicContact CD1-CG2 3.75Å; I79-V85 HydrophobicContact CG1-CG2 3.82Å; I79-V85 HydrophobicContact CG2-CG2 3.59Å; L82-V85 VanDerWaalsContact O-O 3.14Å; R83-V85 PolarHBondContact O-N 2.77Å
86K96.5Very high87.1Confident57 Ų5772.9 Ų72.925%0.24836%0.362CS..EExtended strand (participates in β ladder)trans-114130.8179.5-173.470.2175.2-154.60110.1V49 S50 Y120 W122 S123V49-K86 CarbonylContact C-O 3.59Å; V49-K86 VanDerWaalsContact CA-O 3.32Å; V49-K86 WeakPolarHBondContact CA-O 3.09Å; S50-K86 PolarHBondContact N-O 3.42Å; S50-K86 PolarHBondContact O-N 3.27Å; K86-Y120 HydrophobicContact CB-CE2 4.35Å; K86-W122 HydrophobicContact CB-CD2 4.34Å; K86-W122 HydrophobicContact CB-CE3 3.7Å; K86-W122 HydrophobicContact CB-CH2 3.98Å; K86-W122 HydrophobicContact CB-CZ3 3.51Å; K86-W122 WeakPolarHBondContact CD-O 3.43Å; K86-W122 WeakPolarHBondContact CE-O 3.42Å; K86-W122 HydrophobicContact CG-CE3 4.41Å; K86-W122 PolarHBondContact NZ-O 3.08Å; K86-S123 PolarHBondContact NZ-O 3.19Å
87E97.1Very high86.1Confident92 Ų9279.9 Ų79.943%0.4340%0.399SS..EExtended strand (participates in β ladder)trans-71.7128.3172.5-173.2167.4179.300110.8P47 V49 K59P47-E87 HydrophobicContact CB-CG 4.24Å; P47-E87 WeakPolarHBondContact CB-OE1 3.4Å; V49-E87 HydrophobicContact CG1-CB 4.2Å; V49-E87 HydrophobicContact CG1-CG 4.38Å; K59-E87 IonicContact NZ-OE1 2.87Å; K59-E87 PolarHBondContact NZ-OE1 2.81Å; K59-E87 IonicContact NZ-OE2 3.83Å; K59-E87 PolarHBondContact NZ-OE2 3.34Å
88L96.3Very high85Confident11 Ų1182.6 Ų82.66%0.05841%0.409CS..  trans-93.3137.5-175.3-65-174.7000111V48 S50 L56 L90 Y120 G125 V127V48-L88 HydrophobicContact CG1-CD1 4.47Å; V48-L88 PolarHBondContact O-N 3.33Å; S50-L88 VanDerWaalsContact OG-CD2 3.23Å; S50-L88 WeakPolarHBondContact OG-CD2 3.44Å; L56-L88 HydrophobicContact CD2-CD1 3.5Å; L88-L90 HydrophobicContact CB-CD1 4.49Å; L88-L90 HydrophobicContact CB-CG 4.07Å; L88-L90 PolarHBondContact O-N 3.26Å; L88-Y120 HydrophobicContact CD2-CD1 4.13Å; L88-Y120 HydrophobicContact CD2-CD2 3.42Å; L88-Y120 VanDerWaalsContact CD2-CD2 3.42Å; L88-Y120 HydrophobicContact CD2-CE2 3.9Å; L88-Y120 HydrophobicContact CD2-CG 3.54Å; L88-G125 CarbonylContact C-O 3.48Å; L88-G125 WeakPolarHBondContact CA-O 3.44Å; L88-V127 HydrophobicContact CB-CG2 3.86Å; L88-V127 HydrophobicContact CD1-CG2 4.04Å; L88-V127 HydrophobicContact CD2-CG2 3.84Å; L88-V127 HydrophobicContact CG-CG2 4.14Å
89R94.1Very high84Confident158 Ų15885.4 Ų85.460%0.59642%0.423SS*.BIsolated β-bridgetrans-92.585.2170.1-61.8-174.5-178.8-166.2-0.7108.7G125R89-G125 PolarHBondContact N-O 3.35Å
90L91.3Very high82.9Confident18 Ų1888.9 Ų88.99%0.09445%0.446CS..  trans-90.8141.4175.6-64.5172.9000110Q46 V48 L88 F103 M112 V127Q46-L90 PolarHBondContact NE2-O 3.1Å; Q46-L90 VanDerWaalsContact NE2-O 3.08Å; V48-L90 HydrophobicContact CB-CD1 3.71Å; V48-L90 HydrophobicContact CG1-CD1 4.01Å; V48-L90 HydrophobicContact CG2-CD1 3.87Å; L88-L90 HydrophobicContact CB-CD1 4.49Å; L88-L90 HydrophobicContact CB-CG 4.07Å; L88-L90 PolarHBondContact O-N 3.26Å; L90-F103 HydrophobicContact CB-CD1 3.54Å; L90-F103 HydrophobicContact CB-CE1 3.93Å; L90-F103 HydrophobicContact CB-CG 4.12Å; L90-F103 HydrophobicContact CD1-CD1 3.93Å; L90-F103 HydrophobicContact CD1-CD2 3.99Å; L90-F103 HydrophobicContact CD1-CE1 4Å; L90-F103 HydrophobicContact CD1-CE2 4.05Å; L90-F103 HydrophobicContact CD1-CG 3.92Å; L90-F103 HydrophobicContact CD1-CZ 4.06Å; L90-F103 HydrophobicContact CG-CD1 4.29Å; L90-F103 HydrophobicContact CG-CG 4.46Å; L90-M112 HydrophobicContact CD2-CE 4.12Å; L90-M112 HydrophobicContact CD2-SD 3.52Å; L90-M112 VanDerWaalsContact CD2-SD 3.52Å; L90-V127 HydrophobicContact CD2-CB 3.72Å; L90-V127 HydrophobicContact CD2-CG1 3.77Å; L90-V127 HydrophobicContact CD2-CG2 3.55Å; L90-V127 HydrophobicContact CG-CG2 4.29Å
91S88.9Confident82.3Confident35 Ų3581.9 Ų81.925%0.24542%0.415CS..EExtended strand (participates in β ladder)trans-94123.1169.5-610000108.5F103 Y104S91-F103 WeakPolarHBondContact O-CA 3.32Å; S91-Y104 WeakPolarHBondContact O-CD1 3.35Å; S91-Y104 PolarHBondContact O-N 3.24Å
92S87.2Confident82.1Confident30 Ų3080.3 Ų80.321%0.2141%0.41CS..EExtended strand (participates in β ladder)trans-105.7144.7175.556.10000110.6S94 E102S92-S94 PolarHBondContact OG-O 2.83Å; S92-E102 WeakPolarHBondContact CA-O 3.16Å
93T78.8Confident82.1Confident100 Ų10075.5 Ų75.561%0.61339%0.385SS*.SBendtrans-75.4-33.4176.2-53.60000111.6E102 Y104T93-E102 PolarHBondContact N-O 3.37Å; T93-E102 VanDerWaalsContact N-O 3.16Å; T93-Y104 WeakPolarHBondContact OG1-CD1 3.45Å
94S70Confident82.2Confident31 Ų3169.2 Ų69.222%0.21736%0.361CS..  trans-80121.6177.546.30000110.8S92 D96S92-S94 PolarHBondContact OG-O 2.83Å; S94-D96 VanDerWaalsContact C-N 3.33Å
95S66.6Low82.2Confident117 Ų11767.3 Ų67.382%0.81835%0.351SS*.SBendtrans-77-23.8170.252.20000112.3
96D61.9Low82.1Confident103 Ų10368.9 Ų68.955%0.55136%0.362SS*.SBendtrans-97.4145.8176.7-67.2-24.4000109.3S94 Q98S94-D96 VanDerWaalsContact C-N 3.33Å; D96-Q98 HydrophobicContact CB-CG 4.14Å; D96-Q98 PolarHBondContact O-N 3.21Å
97N61.4Low81.9Confident147 Ų14769.3 Ų69.379%0.78637%0.369SS*.  trans-63.730.1176.8-63.3-55000113.8E99N97-E99 PolarHBondContact O-N 3.25Å
98Q63.9Low81.7Confident138 Ų13867.2 Ų67.265%0.64536%0.363SS*.PPolyproline II helixtrans-68124.3171.9-68.6-169.7-20.500109.2D96 P100D96-Q98 HydrophobicContact CB-CG 4.14Å; D96-Q98 PolarHBondContact O-N 3.21Å; Q98-P100 CarbonylContact O-C 3.51Å
99E67Low81.5Confident86 Ų8669.4 Ų69.440%0.40239%0.388SS..SBendtrans-88139.3170.7-56.1-166.3114.100109.4P43 R45 N97P43-E99 WeakPolarHBondContact CG-OE1 3.29Å; R45-E99 WeakPolarHBondContact CG-OE1 3.49Å; R45-E99 IonicContact CZ-OE1 3.19Å; R45-E99 IonicContact CZ-OE2 3.63Å; R45-E99 IonicContact NE-OE1 2.6Å; R45-E99 PolarHBondContact NE-OE1 2.65Å; R45-E99 IonicContact NE-OE2 3.82Å; R45-E99 IonicContact NH2-OE1 3.01Å; R45-E99 PolarHBondContact NH2-OE1 3.38Å; R45-E99 IonicContact NH2-OE2 2.71Å; R45-E99 PolarHBondContact NH2-OE2 3.33Å; N97-E99 PolarHBondContact O-N 3.25Å
100P69.3Low81.4Confident79 Ų7963.7 Ų63.751%0.51337%0.369SS..SBendcis-82139.62.631.8-33.5000112.9Q98 E102Q98-P100 CarbonylContact O-C 3.51Å; P100-E102 PolarHBondContact O-N 3.16Å
101Q75.4Confident81.5Confident15 Ų1566.4 Ų66.47%0.0738%0.381CS..PPolyproline II helixtrans-73.5123.5168.5-72-173.8-27.400109.7F103Q101-F103 HydrophobicContact CB-CE1 4.17Å; Q101-F103 HydrophobicContact CB-CE2 4.28Å; Q101-F103 HydrophobicContact CB-CZ 3.81Å
102E86.9Confident81.5Confident84 Ų8465 Ų6539%0.39337%0.371SS..PPolyproline II helixtrans-97.4117.4175.1-68.5176.1177.700109.5S92 T93 P100S92-E102 WeakPolarHBondContact CA-O 3.16Å; T93-E102 PolarHBondContact N-O 3.37Å; T93-E102 VanDerWaalsContact N-O 3.16Å; P100-E102 PolarHBondContact O-N 3.16Å
103F92.1Very high81.6Confident10 Ų1064.9 Ų64.94%0.04437%0.37CS..EExtended strand (participates in β ladder)trans-97.2142.4179.3-57.2-64.6000111.1L44 Q46 V48 L90 S91 Q101 M112L44-F103 HydrophobicContact CB-CE2 4.01Å; Q46-F103 HydrophobicContact CG-CE1 3.81Å; Q46-F103 HydrophobicContact CG-CZ 4.18Å; V48-F103 HydrophobicContact CG2-CE2 4.27Å; V48-F103 HydrophobicContact CG2-CZ 3.97Å; L90-F103 HydrophobicContact CB-CD1 3.54Å; L90-F103 HydrophobicContact CB-CE1 3.93Å; L90-F103 HydrophobicContact CB-CG 4.12Å; L90-F103 HydrophobicContact CD1-CD1 3.93Å; L90-F103 HydrophobicContact CD1-CD2 3.99Å; L90-F103 HydrophobicContact CD1-CE1 4Å; L90-F103 HydrophobicContact CD1-CE2 4.05Å; L90-F103 HydrophobicContact CD1-CG 3.92Å; L90-F103 HydrophobicContact CD1-CZ 4.06Å; L90-F103 HydrophobicContact CG-CD1 4.29Å; L90-F103 HydrophobicContact CG-CG 4.46Å; S91-F103 WeakPolarHBondContact O-CA 3.32Å; Q101-F103 HydrophobicContact CB-CE1 4.17Å; Q101-F103 HydrophobicContact CB-CE2 4.28Å; Q101-F103 HydrophobicContact CB-CZ 3.81Å; F103-M112 HydrophobicContact CB-CB 4.13Å; F103-M112 HydrophobicContact CB-CG 4.15Å; F103-M112 HydrophobicContact CB-SD 3.69Å; F103-M112 WeakPolarHBondContact O-CB 3.04Å; F103-M112 PolarHBondContact O-N 3.1Å
104Y93.5Very high82Confident84 Ų8460.7 Ų60.733%0.32935%0.346SS..EExtended strand (participates in β ladder)trans-133.8159.5178.966.1-88.3000112.2S91 T93 P106 L110S91-Y104 WeakPolarHBondContact O-CD1 3.35Å; S91-Y104 PolarHBondContact O-N 3.24Å; T93-Y104 WeakPolarHBondContact OG1-CD1 3.45Å; Y104-P106 VanDerWaalsContact O-CD 3.27Å; Y104-P106 WeakPolarHBondContact O-CD 3.23Å; Y104-L110 CarbonylContact C-O 3.58Å; Y104-L110 VanDerWaalsContact CA-O 3.29Å; Y104-L110 WeakPolarHBondContact CA-O 3.49Å
105C94Very high83Confident1 Ų164.9 Ų64.91%0.00737%0.365CS..  trans-76116.1171.8-179.90000109.4V107 T108 G109 L110 F118 S129C105-V107 PolarHBondContact O-N 3.27Å; C105-V107 VanDerWaalsContact O-N 3.13Å; C105-T108 VanDerWaalsContact CB-OG1 3.27Å; C105-T108 WeakPolarHBondContact CB-OG1 3.23Å; C105-T108 PolarHBondContact O-N 2.7Å; C105-T108 PolarHBondContact SG-N 3.15Å; C105-T108 VanDerWaalsContact SG-N 3.41Å; C105-T108 PolarHBondContact SG-OG1 3.13Å; C105-G109 WeakPolarHBondContact O-CA 3.46Å; C105-G109 PolarHBondContact O-N 3.48Å; C105-L110 PolarHBondContact N-O 3.3Å; C105-F118 HydrophobicContact CB-CE1 3.59Å; C105-F118 HydrophobicContact CB-CZ 4.01Å; C105-S129 PolarHBondContact SG-N 2.62Å
106P92.4Very high84.2Confident50 Ų5063.2 Ų63.233%0.32534%0.342SS..THydrogen-bonded Turntrans-61.7-24.4178.221.9-33.4000114.1Y104 L143Y104-P106 VanDerWaalsContact O-CD 3.27Å; Y104-P106 WeakPolarHBondContact O-CD 3.23Å; P106-L143 HydrophobicContact CB-CD2 3.97Å; P106-L143 HydrophobicContact CG-CD1 3.49Å; P106-L143 VanDerWaalsContact CG-CD1 3.49Å; P106-L143 HydrophobicContact CG-CD2 3.54Å; P106-L143 HydrophobicContact CG-CG 4.13Å
107V92Very high85.7Confident67 Ų6760.9 Ų60.941%0.40633%0.332SS..THydrogen-bonded Turntrans-83.9-45.9179.2-174.50000113.2C105 A132 M142 L143C105-V107 PolarHBondContact O-N 3.27Å; C105-V107 VanDerWaalsContact O-N 3.13Å; V107-A132 HydrophobicContact CB-CB 4.16Å; V107-A132 HydrophobicContact CG1-CB 4.01Å; V107-M142 HydrophobicContact CG1-CE 4.31Å; V107-M142 HydrophobicContact CG1-SD 4.2Å; V107-M142 HydrophobicContact CG2-CB 4.26Å; V107-M142 HydrophobicContact CG2-CE 4.1Å; V107-M142 HydrophobicContact CG2-SD 4.36Å; V107-L143 HydrophobicContact CG2-CD2 4.1Å
108T92.6Very high87.3Confident48 Ų4853.9 Ų53.929%0.29430%0.295SS..THydrogen-bonded Turntrans-103.7-9.3-172.852.50000114C105 L110 S129 A132C105-T108 VanDerWaalsContact CB-OG1 3.27Å; C105-T108 WeakPolarHBondContact CB-OG1 3.23Å; C105-T108 PolarHBondContact O-N 2.7Å; C105-T108 PolarHBondContact SG-N 3.15Å; C105-T108 VanDerWaalsContact SG-N 3.41Å; C105-T108 PolarHBondContact SG-OG1 3.13Å; T108-L110 PolarHBondContact O-N 3.49Å; T108-S129 WeakPolarHBondContact CG2-OG 3.5Å; T108-S129 PolarHBondContact OG1-OG 2.95Å; T108-A132 HydrophobicContact CG2-CB 3.75Å
109G91.6Very high88.8Confident57 Ų5747.5 Ų47.559%0.58827%0.265SS*.  trans68.74.7-175.100000114.8C105C105-G109 WeakPolarHBondContact O-CA 3.46Å; C105-G109 PolarHBondContact O-N 3.48Å
110L92.7Very high90.2Very high38 Ų3843.4 Ų43.420%0.19925%0.246CC..  trans-73.4137.6179.6-62.2175.8000111Y104 C105 T108 Y116 F118 K131Y104-L110 CarbonylContact C-O 3.58Å; Y104-L110 VanDerWaalsContact CA-O 3.29Å; Y104-L110 WeakPolarHBondContact CA-O 3.49Å; C105-L110 PolarHBondContact N-O 3.3Å; T108-L110 PolarHBondContact O-N 3.49Å; L110-Y116 HydrophobicContact CB-CD2 4.17Å; L110-Y116 HydrophobicContact CD1-CD1 4.27Å; L110-Y116 HydrophobicContact CD1-CD2 4.03Å; L110-Y116 HydrophobicContact CD1-CE2 4.43Å; L110-Y116 HydrophobicContact CD1-CG 3.93Å; L110-Y116 HydrophobicContact CD2-CD2 4.06Å; L110-Y116 HydrophobicContact CD2-CE2 3.75Å; L110-Y116 HydrophobicContact CG-CD2 4.32Å; L110-Y116 HydrophobicContact CG-CE2 4.49Å; L110-F118 HydrophobicContact CB-CZ 4.34Å; L110-F118 WeakPolarHBondContact O-CZ 3.32Å; L110-K131 HydrophobicContact CD1-CD 4.26Å
111E92.5Very high91.5Very high74 Ų7439.7 Ų39.735%0.34622%0.222SC..BIsolated β-bridgetrans-75.3146.1173.7-163.7-166157.200111.5K35 S113 F118K35-E111 IonicContact NZ-OE1 3.72Å; E111-S113 PolarHBondContact O-N 2.72Å; E111-F118 WeakPolarHBondContact O-CE2 3.16Å
112M90.8Very high92.4Very high7 Ų740.4 Ų40.43%0.03422%0.224CC..SBendtrans-77.458.6173.4-74.3-171.870.300112.2W34 L56 L90 F103 F118 V127 I156W34-M112 WeakPolarHBondContact CB-O 3.38Å; W34-M112 HydrophobicContact CE3-CB 3.89Å; W34-M112 HydrophobicContact CE3-CE 3.81Å; W34-M112 HydrophobicContact CE3-CG 4.45Å; W34-M112 HydrophobicContact CZ3-CB 4.15Å; W34-M112 HydrophobicContact CZ3-CE 3.6Å; W34-M112 HydrophobicContact CZ3-CG 4.25Å; L56-M112 HydrophobicContact CD1-CE 4.4Å; L90-M112 HydrophobicContact CD2-CE 4.12Å; L90-M112 HydrophobicContact CD2-SD 3.52Å; L90-M112 VanDerWaalsContact CD2-SD 3.52Å; F103-M112 HydrophobicContact CB-CB 4.13Å; F103-M112 HydrophobicContact CB-CG 4.15Å; F103-M112 HydrophobicContact CB-SD 3.69Å; F103-M112 WeakPolarHBondContact O-CB 3.04Å; F103-M112 PolarHBondContact O-N 3.1Å; M112-F118 HydrophobicContact CB-CE2 4.39Å; M112-F118 HydrophobicContact CB-CZ 4.29Å; M112-F118 HydrophobicContact CE-CB 4.41Å; M112-F118 HydrophobicContact CE-CD1 4.35Å; M112-F118 HydrophobicContact CE-CG 4.35Å; M112-F118 HydrophobicContact CG-CD1 3.56Å; M112-F118 HydrophobicContact CG-CD2 4.01Å; M112-F118 HydrophobicContact CG-CE1 3.25Å; M112-F118 HydrophobicContact CG-CE2 3.79Å; M112-F118 HydrophobicContact CG-CG 3.92Å; M112-F118 HydrophobicContact CG-CZ 3.4Å; M112-F118 VanDerWaalsContact CG-CZ 3.4Å; M112-F118 HydrophobicContact SD-CD1 3.97Å; M112-F118 HydrophobicContact SD-CE1 4.08Å; M112-F118 HydrophobicContact SD-CG 4.48Å; M112-V127 HydrophobicContact CE-CG1 4.35Å; M112-V127 HydrophobicContact SD-CG1 4.21Å; M112-I156 HydrophobicContact CE-CD1 3.91Å
113S87.8Confident92.8Very high26 Ų2638.5 Ų38.518%0.18222%0.22CC..SBendtrans-94-1.1-178.3590000114.6E111 I115E111-S113 PolarHBondContact O-N 2.72Å; S113-I115 VanDerWaalsContact C-N 3.27Å; S113-I115 PolarHBondContact O-N 3.3Å; S113-I115 WeakPolarHBondContact OG-CG1 3.28Å
114G88Confident92.9Very high12 Ų1238.9 Ų38.912%0.12422%0.224CC..SBendtrans79.44-174.700000115.6N30 W34N30-G114 PolarHBondContact ND2-O 3.42Å; W34-G114 VanDerWaalsContact CD1-CA 3.49Å
115I90.4Very high93Very high120 Ų12034.9 Ų34.962%0.61521%0.208SC*.SBendtrans-74-39.4169-60.3172.9000110.1S113S113-I115 VanDerWaalsContact C-N 3.27Å; S113-I115 PolarHBondContact O-N 3.3Å; S113-I115 WeakPolarHBondContact OG-CG1 3.28Å
116Y92.3Very high93.1Very high82 Ų8235 Ų3532%0.32221%0.208SC..SBendtrans-110.3140.7179.9-55.8-71.1000110.5L110 F118L110-Y116 HydrophobicContact CB-CD2 4.17Å; L110-Y116 HydrophobicContact CD1-CD1 4.27Å; L110-Y116 HydrophobicContact CD1-CD2 4.03Å; L110-Y116 HydrophobicContact CD1-CE2 4.43Å; L110-Y116 HydrophobicContact CD1-CG 3.93Å; L110-Y116 HydrophobicContact CD2-CD2 4.06Å; L110-Y116 HydrophobicContact CD2-CE2 3.75Å; L110-Y116 HydrophobicContact CG-CD2 4.32Å; L110-Y116 HydrophobicContact CG-CE2 4.49Å; Y116-F118 VanDerWaalsContact O-CD2 3.32Å; Y116-F118 WeakPolarHBondContact O-CD2 3.47Å
117P93.4Very high93.2Very high54 Ų5432.7 Ų32.735%0.35119%0.194SC..  trans-71.4132.917426.3-31.4000110.9R130 L155P117-R130 HydrophobicContact CB-CB 4.17Å; P117-R130 HydrophobicContact CG-CB 3.96Å; P117-R130 WeakPolarHBondContact O-CB 3.37Å; P117-R130 PolarHBondContact O-N 2.91Å; P117-L155 HydrophobicContact CB-CD1 4Å
118F95.6Very high93.4Very high0 Ų029.6 Ų29.60%018%0.175CC..EExtended strand (participates in β ladder)trans-111.4148.6173.8-79.3-112000110.5W34 C105 L110 E111 M112 Y116 V127 I156W34-F118 HydrophobicContact CH2-CB 3.75Å; W34-F118 AromaticContact CH2-CD2 3.75Å; W34-F118 HydrophobicContact CH2-CD2 3.75Å; W34-F118 HydrophobicContact CH2-CG 4.13Å; W34-F118 HydrophobicContact CZ3-CB 3.77Å; W34-F118 AromaticContact CZ3-CD2 3.58Å; W34-F118 HydrophobicContact CZ3-CD2 3.58Å; W34-F118 HydrophobicContact CZ3-CE2 4.43Å; W34-F118 AromaticContact CZ3-CG 3.86Å; W34-F118 HydrophobicContact CZ3-CG 3.86Å; C105-F118 HydrophobicContact CB-CE1 3.59Å; C105-F118 HydrophobicContact CB-CZ 4.01Å; L110-F118 HydrophobicContact CB-CZ 4.34Å; L110-F118 WeakPolarHBondContact O-CZ 3.32Å; E111-F118 WeakPolarHBondContact O-CE2 3.16Å; M112-F118 HydrophobicContact CB-CE2 4.39Å; M112-F118 HydrophobicContact CB-CZ 4.29Å; M112-F118 HydrophobicContact CE-CB 4.41Å; M112-F118 HydrophobicContact CE-CD1 4.35Å; M112-F118 HydrophobicContact CE-CG 4.35Å; M112-F118 HydrophobicContact CG-CD1 3.56Å; M112-F118 HydrophobicContact CG-CD2 4.01Å; M112-F118 HydrophobicContact CG-CE1 3.25Å; M112-F118 HydrophobicContact CG-CE2 3.79Å; M112-F118 HydrophobicContact CG-CG 3.92Å; M112-F118 HydrophobicContact CG-CZ 3.4Å; M112-F118 VanDerWaalsContact CG-CZ 3.4Å; M112-F118 HydrophobicContact SD-CD1 3.97Å; M112-F118 HydrophobicContact SD-CE1 4.08Å; M112-F118 HydrophobicContact SD-CG 4.48Å; Y116-F118 VanDerWaalsContact O-CD2 3.32Å; Y116-F118 WeakPolarHBondContact O-CD2 3.47Å; F118-V127 HydrophobicContact CD1-CG1 4.05Å; F118-I156 HydrophobicContact CB-CB 4.4Å; F118-I156 HydrophobicContact CB-CD1 4.02Å; F118-I156 HydrophobicContact CB-CG1 4.5Å; F118-I156 PolarHBondContact O-N 2.71Å
119V95.7Very high93.5Very high4 Ų427.3 Ų27.32%0.02416%0.16CC..EExtended strand (participates in β ladder)trans-127.6155176.7-64.80000109.1F128 R130 L133 I153 I154 L155V119-F128 HydrophobicContact CG2-CD2 3.66Å; V119-F128 HydrophobicContact CG2-CE2 3.55Å; V119-F128 PolarHBondContact N-O 3.34Å; V119-F128 PolarHBondContact O-N 3.45Å; V119-R130 HydrophobicContact CG1-CB 4.17Å; V119-R130 HydrophobicContact CG1-CG 4.36Å; V119-L133 HydrophobicContact CG2-CB 4.4Å; V119-L133 HydrophobicContact CG2-CD2 4Å; V119-I153 HydrophobicContact CB-CG2 4.18Å; V119-I153 HydrophobicContact CG1-CG2 4.26Å; V119-I154 CarbonylContact C-O 3.26Å; V119-I154 VanDerWaalsContact CA-O 3.23Å; V119-I154 WeakPolarHBondContact CA-O 3.43Å; V119-L155 HydrophobicContact CG1-CD1 3.89Å
120Y96.1Very high93.6Very high0 Ų030.1 Ų30.10%015%0.153CC..EExtended strand (participates in β ladder)trans-134.1157.8167.975-84.3000110.2S50 C51 K86 L88 W122 C126 I154 I156S50-Y120 WeakPolarHBondContact OG-CE1 3.33Å; S50-Y120 VanDerWaalsContact OG-CE2 3.29Å; S50-Y120 WeakPolarHBondContact OG-CE2 3.33Å; S50-Y120 PolarHBondContact OG-OH 2.83Å; S50-Y120 VanDerWaalsContact OG-OH 3.07Å; C51-Y120 PolarHBondContact O-OH 3.32Å; K86-Y120 HydrophobicContact CB-CE2 4.35Å; L88-Y120 HydrophobicContact CD2-CD1 4.13Å; L88-Y120 HydrophobicContact CD2-CD2 3.42Å; L88-Y120 VanDerWaalsContact CD2-CD2 3.42Å; L88-Y120 HydrophobicContact CD2-CE2 3.9Å; L88-Y120 HydrophobicContact CD2-CG 3.54Å; Y120-W122 AromaticContact CE2-CE3 3.81Å; Y120-W122 HydrophobicContact CE2-CE3 3.81Å; Y120-W122 HydrophobicContact CE2-CZ3 4.35Å; Y120-C126 VanDerWaalsContact CA-O 3.22Å; Y120-C126 WeakPolarHBondContact CA-O 3.28Å; Y120-C126 WeakPolarHBondContact CB-O 3.38Å; Y120-I154 HydrophobicContact CD1-CB 3.98Å; Y120-I154 HydrophobicContact CD1-CG2 4.18Å; Y120-I154 WeakPolarHBondContact CD1-O 3.39Å; Y120-I154 HydrophobicContact CE1-CB 3.5Å; Y120-I154 VanDerWaalsContact CE1-CB 3.5Å; Y120-I154 HydrophobicContact CE1-CD1 4.33Å; Y120-I154 HydrophobicContact CE1-CG2 3.33Å; Y120-I154 HydrophobicContact CE2-CB 4.25Å; Y120-I154 HydrophobicContact CE2-CD1 3.76Å; Y120-I154 PolarHBondContact N-O 3.25Å; Y120-I154 PolarHBondContact O-N 3.25Å; Y120-I154 WeakPolarHBondContact OH-CD1 3.05Å; Y120-I156 HydrophobicContact CD1-CD1 4.08Å; Y120-I156 HydrophobicContact CD1-CG1 3.62Å; Y120-I156 HydrophobicContact CE1-CG1 4.22Å
121L95.8Very high93.6Very high0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-95127.3177.5-60.9176.3000110S123 G125 C126 F128 C141 F148 D152 I153L121-S123 VanDerWaalsContact C-N 3.26Å; L121-S123 PolarHBondContact O-N 2.93Å; L121-G125 VanDerWaalsContact O-CA 3.27Å; L121-G125 WeakPolarHBondContact O-CA 3.45Å; L121-G125 PolarHBondContact O-N 3.13Å; L121-C126 PolarHBondContact N-O 3.34Å; L121-C126 VanDerWaalsContact N-O 3.15Å; L121-F128 HydrophobicContact CD1-CE1 3.93Å; L121-F128 HydrophobicContact CD1-CZ 3.82Å; L121-F128 HydrophobicContact CD2-CZ 4.07Å; L121-F128 HydrophobicContact CG-CE1 3.98Å; L121-F128 HydrophobicContact CG-CZ 3.68Å; L121-C141 HydrophobicContact CD1-CB 3.55Å; L121-F148 HydrophobicContact CD1-CB 4.05Å; L121-F148 HydrophobicContact CD1-CD1 3.4Å; L121-F148 HydrophobicContact CD1-CD2 4.37Å; L121-F148 HydrophobicContact CD1-CE1 3.87Å; L121-F148 HydrophobicContact CD1-CG 3.69Å; L121-F148 HydrophobicContact CD2-CB 4.03Å; L121-F148 HydrophobicContact CD2-CD1 4.09Å; L121-F148 HydrophobicContact CD2-CD2 3.5Å; L121-F148 VanDerWaalsContact CD2-CD2 3.5Å; L121-F148 HydrophobicContact CD2-CE1 4.42Å; L121-F148 HydrophobicContact CD2-CE2 3.91Å; L121-F148 HydrophobicContact CD2-CG 3.61Å; L121-F148 HydrophobicContact CD2-CZ 4.36Å; L121-F148 HydrophobicContact CG-CB 4.47Å; L121-F148 HydrophobicContact CG-CD1 4.38Å; L121-F148 HydrophobicContact CG-CG 4.23Å; L121-D152 CarbonylContact C-O 3.54Å; L121-D152 WeakPolarHBondContact CA-O 3.35Å; L121-I153 HydrophobicContact CD2-CG1 3.88Å
122W95.2Very high93.6Very high30 Ų3029.5 Ų29.511%0.11415%0.148CC..THydrogen-bonded Turntrans-63.5-33178.4-169.2-109.4000112.8L52 K86 Y120 D152 I154 F174L52-W122 HydrophobicContact CD1-CH2 4.43Å; L52-W122 HydrophobicContact CD1-CZ2 4.32Å; L52-W122 HydrophobicContact CD2-CD2 3.57Å; L52-W122 HydrophobicContact CD2-CE3 3.57Å; L52-W122 HydrophobicContact CD2-CG 4.24Å; L52-W122 HydrophobicContact CD2-CH2 3.84Å; L52-W122 HydrophobicContact CD2-CZ2 3.83Å; L52-W122 HydrophobicContact CD2-CZ3 3.71Å; L52-W122 HydrophobicContact CG-CD2 4.48Å; L52-W122 HydrophobicContact CG-CE3 4.24Å; L52-W122 HydrophobicContact CG-CH2 3.67Å; L52-W122 HydrophobicContact CG-CZ2 3.92Å; L52-W122 HydrophobicContact CG-CZ3 3.84Å; K86-W122 HydrophobicContact CB-CD2 4.34Å; K86-W122 HydrophobicContact CB-CE3 3.7Å; K86-W122 HydrophobicContact CB-CH2 3.98Å; K86-W122 HydrophobicContact CB-CZ3 3.51Å; K86-W122 WeakPolarHBondContact CD-O 3.43Å; K86-W122 WeakPolarHBondContact CE-O 3.42Å; K86-W122 HydrophobicContact CG-CE3 4.41Å; K86-W122 PolarHBondContact NZ-O 3.08Å; Y120-W122 AromaticContact CE2-CE3 3.81Å; Y120-W122 HydrophobicContact CE2-CE3 3.81Å; Y120-W122 HydrophobicContact CE2-CZ3 4.35Å; W122-D152 HydrophobicContact CB-CB 4.23Å; W122-D152 PolarHBondContact N-O 2.92Å; W122-I154 HydrophobicContact CB-CD1 3.75Å; W122-I154 HydrophobicContact CD2-CD1 3.89Å; W122-I154 HydrophobicContact CE3-CD1 3.33Å; W122-I154 HydrophobicContact CG-CD1 4.09Å; W122-I154 HydrophobicContact CZ3-CD1 4.19Å; W122-F174 HydrophobicContact CZ2-CZ 4.19Å; W122-F174 AromaticContact NE1-CE2 3.47Å; W122-F174 AromaticContact NE1-CZ 3.7Å
123S93.9Very high93.7Very high44 Ų4430.7 Ų30.731%0.30816%0.155SC..THydrogen-bonded Turntrans-62.1-49.7-179.260.60000112.3K86 L121K86-S123 PolarHBondContact NZ-O 3.19Å; L121-S123 VanDerWaalsContact C-N 3.26Å; L121-S123 PolarHBondContact O-N 2.93Å
124C94.8Very high93.9Very high19 Ų1934.6 Ų34.613%0.12818%0.177CC..THydrogen-bonded Turntrans-110.5-23-17561.60000115.4C126 C144 A146C124-C126 VanDerWaalsContact C-N 3.34Å; C124-C144 WeakPolarHBondContact CB-SG 3.29Å; C124-A146 HydrophobicContact CB-CB 4.02Å
125G95.2Very high94Very high0 Ų041.1 Ų41.10%021%0.205CC..  trans826.4-175.400000114.5L88 R89 L121L88-G125 CarbonylContact C-O 3.48Å; L88-G125 WeakPolarHBondContact CA-O 3.44Å; R89-G125 PolarHBondContact N-O 3.35Å; L121-G125 VanDerWaalsContact O-CA 3.27Å; L121-G125 WeakPolarHBondContact O-CA 3.45Å; L121-G125 PolarHBondContact O-N 3.13Å
126C96Very high93.9Very high2 Ų238 Ų381%0.01419%0.191CC..BIsolated β-bridgetrans-69.6138175.2-740000111.6Y120 L121 C124 C141 L143Y120-C126 VanDerWaalsContact CA-O 3.22Å; Y120-C126 WeakPolarHBondContact CA-O 3.28Å; Y120-C126 WeakPolarHBondContact CB-O 3.38Å; L121-C126 PolarHBondContact N-O 3.34Å; L121-C126 VanDerWaalsContact N-O 3.15Å; C124-C126 VanDerWaalsContact C-N 3.34Å; C126-C141 WeakPolarHBondContact CB-SG 3.49Å; C126-L143 HydrophobicContact CB-CB 4.23Å; C126-L143 HydrophobicContact CB-CD1 3.97Å; C126-L143 HydrophobicContact CB-CG 4.49Å
127V95.8Very high93.5Very high3 Ų339.9 Ų39.92%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-113.8136.8-176.7-174.10000110.5L88 L90 M112 F118 I156L88-V127 HydrophobicContact CB-CG2 3.86Å; L88-V127 HydrophobicContact CD1-CG2 4.04Å; L88-V127 HydrophobicContact CD2-CG2 3.84Å; L88-V127 HydrophobicContact CG-CG2 4.14Å; L90-V127 HydrophobicContact CD2-CB 3.72Å; L90-V127 HydrophobicContact CD2-CG1 3.77Å; L90-V127 HydrophobicContact CD2-CG2 3.55Å; L90-V127 HydrophobicContact CG-CG2 4.29Å; M112-V127 HydrophobicContact CE-CG1 4.35Å; M112-V127 HydrophobicContact SD-CG1 4.21Å; F118-V127 HydrophobicContact CD1-CG1 4.05Å; V127-I156 HydrophobicContact CG1-CD1 3.67Å
128F94.8Very high93.3Very high1 Ų139.6 Ų39.60%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-154.9167.6175.440.8-95.3000110.7V119 L121 L133 M142V119-F128 HydrophobicContact CG2-CD2 3.66Å; V119-F128 HydrophobicContact CG2-CE2 3.55Å; V119-F128 PolarHBondContact N-O 3.34Å; V119-F128 PolarHBondContact O-N 3.45Å; L121-F128 HydrophobicContact CD1-CE1 3.93Å; L121-F128 HydrophobicContact CD1-CZ 3.82Å; L121-F128 HydrophobicContact CD2-CZ 4.07Å; L121-F128 HydrophobicContact CG-CE1 3.98Å; L121-F128 HydrophobicContact CG-CZ 3.68Å; F128-L133 HydrophobicContact CD2-CB 4.26Å; F128-L133 HydrophobicContact CE2-CB 3.87Å; F128-L133 HydrophobicContact CE2-CD1 3.98Å; F128-L133 HydrophobicContact CE2-CD2 4.42Å; F128-L133 HydrophobicContact CE2-CG 4.29Å; F128-L133 HydrophobicContact CZ-CD1 4.45Å; F128-M142 HydrophobicContact CD2-CE 4.05Å; F128-M142 HydrophobicContact CE2-CE 4.42Å; F128-M142 HydrophobicContact CG-CE 4.17Å
129S94.7Very high93.1Very high0 Ų045.4 Ų45.40%025%0.247CC..EExtended strand (participates in β ladder)trans-70.1148177.670.90000110.8C105 T108 K131 A132 L133C105-S129 PolarHBondContact SG-N 2.62Å; T108-S129 WeakPolarHBondContact CG2-OG 3.5Å; T108-S129 PolarHBondContact OG1-OG 2.95Å; S129-K131 PolarHBondContact O-N 3.47Å; S129-A132 WeakPolarHBondContact O-CB 3.37Å; S129-A132 PolarHBondContact O-N 2.88Å; S129-A132 VanDerWaalsContact O-N 3.11Å; S129-A132 PolarHBondContact OG-N 3.44Å; S129-L133 PolarHBondContact O-N 3.29Å
130R93.9Very high93Very high116 Ų11649.8 Ų49.844%0.43827%0.269SS..Hα-helixtrans-59.5-29.7176-174176.6177.1174.5-0.5112.1P117 V119 L133 T134 E163P117-R130 HydrophobicContact CB-CB 4.17Å; P117-R130 HydrophobicContact CG-CB 3.96Å; P117-R130 WeakPolarHBondContact O-CB 3.37Å; P117-R130 PolarHBondContact O-N 2.91Å; V119-R130 HydrophobicContact CG1-CB 4.17Å; V119-R130 HydrophobicContact CG1-CG 4.36Å; R130-L133 PolarHBondContact O-N 3.31Å; R130-T134 PolarHBondContact O-N 3.43Å; R130-T134 VanDerWaalsContact O-N 3.12Å; R130-T134 PolarHBondContact O-OG1 3.02Å; R130-E163 IonicContact NH1-OE1 3.75Å
131K93.2Very high92.9Very high98 Ų9850 Ų5043%0.42627%0.271SS..Hα-helixtrans-59.2-48.8174.6-67.2-176.1176.4-179.20111L110 S129 L133 T134 E135L110-K131 HydrophobicContact CD1-CD 4.26Å; S129-K131 PolarHBondContact O-N 3.47Å; K131-L133 VanDerWaalsContact C-N 3.28Å; K131-L133 PolarHBondContact O-N 3.41Å; K131-T134 WeakPolarHBondContact O-CB 3.27Å; K131-T134 PolarHBondContact O-N 2.97Å; K131-E135 PolarHBondContact O-N 3Å
132A93Very high92.7Very high1 Ų152.7 Ų52.71%0.00828%0.284CS..Hα-helixtrans-58-40.8179.500000112.2V107 T108 S129 T134 V136 M142V107-A132 HydrophobicContact CB-CB 4.16Å; V107-A132 HydrophobicContact CG1-CB 4.01Å; T108-A132 HydrophobicContact CG2-CB 3.75Å; S129-A132 WeakPolarHBondContact O-CB 3.37Å; S129-A132 PolarHBondContact O-N 2.88Å; S129-A132 VanDerWaalsContact O-N 3.11Å; S129-A132 PolarHBondContact OG-N 3.44Å; A132-T134 VanDerWaalsContact C-N 3.33Å; A132-T134 PolarHBondContact O-N 3.33Å; A132-V136 PolarHBondContact O-N 3.01Å; A132-V136 VanDerWaalsContact O-N 3.11Å; A132-M142 HydrophobicContact CB-CE 3.52Å
133L92Very high92.6Very high33 Ų3354.7 Ų54.717%0.17330%0.297CS..Hα-helixtrans-67.4-32.5176.5-176.762.8000113.2V119 F128 S129 R130 K131 V136 F148 I153V119-L133 HydrophobicContact CG2-CB 4.4Å; V119-L133 HydrophobicContact CG2-CD2 4Å; F128-L133 HydrophobicContact CD2-CB 4.26Å; F128-L133 HydrophobicContact CE2-CB 3.87Å; F128-L133 HydrophobicContact CE2-CD1 3.98Å; F128-L133 HydrophobicContact CE2-CD2 4.42Å; F128-L133 HydrophobicContact CE2-CG 4.29Å; F128-L133 HydrophobicContact CZ-CD1 4.45Å; S129-L133 PolarHBondContact O-N 3.29Å; R130-L133 PolarHBondContact O-N 3.31Å; K131-L133 VanDerWaalsContact C-N 3.28Å; K131-L133 PolarHBondContact O-N 3.41Å; L133-V136 VanDerWaalsContact O-O 3.13Å; L133-F148 HydrophobicContact CD1-CE2 4.16Å; L133-F148 HydrophobicContact CD1-CZ 3.84Å; L133-I153 HydrophobicContact CD2-CD1 3.9Å; L133-I153 HydrophobicContact CD2-CG1 4.44Å; L133-I153 HydrophobicContact CD2-CG2 3.57Å
134T91.8Very high92.6Very high107 Ų10755.1 Ų55.166%0.65630%0.299SS*.Hα-helixtrans-75.3-35-179.3-51.80000110.8R130 K131 A132R130-T134 PolarHBondContact O-N 3.43Å; R130-T134 VanDerWaalsContact O-N 3.12Å; R130-T134 PolarHBondContact O-OG1 3.02Å; K131-T134 WeakPolarHBondContact O-CB 3.27Å; K131-T134 PolarHBondContact O-N 2.97Å; A132-T134 VanDerWaalsContact C-N 3.33Å; A132-T134 PolarHBondContact O-N 3.33Å
135E91.7Very high92.4Very high149 Ų14956.3 Ų56.370%0.69632%0.315SS*.Hα-helixtrans-74.9-33177.7-70171.3-165.400112.4K131K131-E135 PolarHBondContact O-N 3Å
136V87.1Confident92.3Very high56 Ų5657.6 Ų57.634%0.33933%0.325SS..  trans-107.494.7-179.3-176.10000110.4A132 L133 S138 M142A132-V136 PolarHBondContact O-N 3.01Å; A132-V136 VanDerWaalsContact O-N 3.11Å; L133-V136 VanDerWaalsContact O-O 3.13Å; V136-S138 PolarHBondContact O-N 2.82Å; V136-M142 HydrophobicContact CB-CG 4.41Å; V136-M142 HydrophobicContact CB-SD 3.58Å; V136-M142 VanDerWaalsContact CB-SD 3.58Å; V136-M142 HydrophobicContact CG1-CG 4.11Å; V136-M142 HydrophobicContact CG1-SD 3.88Å; V136-M142 HydrophobicContact CG2-SD 3.47Å; V136-M142 WeakPolarHBondContact CG2-SD 3.36Å
137S84.2Confident92.3Very high120 Ų12062.1 Ų62.184%0.83936%0.355SS*.  trans-81.632.4-177680000114.4
138S89Confident92.2Very high49 Ų4963 Ų6334%0.34336%0.358SS..  trans-94.2149.217871.10000111.2V136 L140 F148V136-S138 PolarHBondContact O-N 2.82Å; S138-L140 PolarHBondContact O-N 3.29Å; S138-L140 PolarHBondContact OG-O 2.9Å; S138-F148 VanDerWaalsContact O-CZ 3.31Å; S138-F148 WeakPolarHBondContact O-CZ 3.5Å
139N91.1Very high92.2Very high122 Ų12265.7 Ų65.765%0.65238%0.377SS*.SBendtrans-82.918.9175.4-62.6-36.1000112.7P147 F148N139-P147 WeakPolarHBondContact O-CA 3.24Å; N139-F148 PolarHBondContact O-N 2.84Å
140L94.4Very high92Very high95 Ų9570 Ų7050%0.49741%0.407SS..BIsolated β-bridgetrans-121.4133.3-176.9-60.4179.6000110S138 M142 P147 F148S138-L140 PolarHBondContact O-N 3.29Å; S138-L140 PolarHBondContact OG-O 2.9Å; L140-M142 PolarHBondContact O-N 3Å; L140-P147 HydrophobicContact CD2-CB 4.1Å; L140-F148 VanDerWaalsContact C-CE1 3.41Å; L140-F148 WeakPolarHBondContact O-CE1 3.31Å
141C94.3Very high91.8Very high4 Ų470.4 Ų70.43%0.02742%0.418CS..  trans-61.5127.8-179.1175.10000111.2L121 C126 L143 C144 G145 A146 F148L121-C141 HydrophobicContact CD1-CB 3.55Å; C126-C141 WeakPolarHBondContact CB-SG 3.49Å; C141-L143 PolarHBondContact O-N 3.07Å; C141-L143 VanDerWaalsContact O-N 3.14Å; C141-C144 PolarHBondContact O-N 2.82Å; C141-G145 VanDerWaalsContact O-CA 3.28Å; C141-G145 WeakPolarHBondContact O-CA 3.34Å; C141-G145 PolarHBondContact O-N 2.76Å; C141-A146 HydrophobicContact CB-CB 4.42Å; C141-A146 WeakPolarHBondContact CB-O 3.38Å; C141-A146 PolarHBondContact N-O 2.81Å; C141-F148 HydrophobicContact CB-CD1 4.46Å
142M91.2Very high91.8Very high58 Ų5867.8 Ų67.829%0.28641%0.409SS..THydrogen-bonded Turntrans-63.1-22.9-177.1-65.8-166.4-79.200115.1V107 F128 A132 V136 L140V107-M142 HydrophobicContact CG1-CE 4.31Å; V107-M142 HydrophobicContact CG1-SD 4.2Å; V107-M142 HydrophobicContact CG2-CB 4.26Å; V107-M142 HydrophobicContact CG2-CE 4.1Å; V107-M142 HydrophobicContact CG2-SD 4.36Å; F128-M142 HydrophobicContact CD2-CE 4.05Å; F128-M142 HydrophobicContact CE2-CE 4.42Å; F128-M142 HydrophobicContact CG-CE 4.17Å; A132-M142 HydrophobicContact CB-CE 3.52Å; V136-M142 HydrophobicContact CB-CG 4.41Å; V136-M142 HydrophobicContact CB-SD 3.58Å; V136-M142 VanDerWaalsContact CB-SD 3.58Å; V136-M142 HydrophobicContact CG1-CG 4.11Å; V136-M142 HydrophobicContact CG1-SD 3.88Å; V136-M142 HydrophobicContact CG2-SD 3.47Å; V136-M142 WeakPolarHBondContact CG2-SD 3.36Å; L140-M142 PolarHBondContact O-N 3Å
143L91.8Very high91.9Very high72 Ų7269.8 Ų69.838%0.37742%0.419SS..THydrogen-bonded Turntrans-97.3-32.1-178.1-59.5179.9000114.7P106 V107 C126 C141P106-L143 HydrophobicContact CB-CD2 3.97Å; P106-L143 HydrophobicContact CG-CD1 3.49Å; P106-L143 VanDerWaalsContact CG-CD1 3.49Å; P106-L143 HydrophobicContact CG-CD2 3.54Å; P106-L143 HydrophobicContact CG-CG 4.13Å; V107-L143 HydrophobicContact CG2-CD2 4.1Å; C126-L143 HydrophobicContact CB-CB 4.23Å; C126-L143 HydrophobicContact CB-CD1 3.97Å; C126-L143 HydrophobicContact CB-CG 4.49Å; C141-L143 PolarHBondContact O-N 3.07Å; C141-L143 VanDerWaalsContact O-N 3.14Å
144C93.8Very high92.1Very high53 Ų5368.2 Ų68.236%0.35841%0.411SS..THydrogen-bonded Turntrans-129.2-2.1-172.974.50000114.1C124 C141 A146C124-C144 WeakPolarHBondContact CB-SG 3.29Å; C141-C144 PolarHBondContact O-N 2.82Å; C144-A146 PolarHBondContact O-N 2.96Å; C144-A146 VanDerWaalsContact SG-CB 3.52Å
145G91.8Very high92.3Very high44 Ų4464.1 Ų64.145%0.45439%0.385SS..  trans69.94.9-179.500000115.5C141C141-G145 VanDerWaalsContact O-CA 3.28Å; C141-G145 WeakPolarHBondContact O-CA 3.34Å; C141-G145 PolarHBondContact O-N 2.76Å
146A93.9Very high92.5Very high27 Ų2757.1 Ų57.122%0.22335%0.352CS..  trans-68.3136.3-179.400000111C124 C141 C144C124-A146 HydrophobicContact CB-CB 4.02Å; C141-A146 HydrophobicContact CB-CB 4.42Å; C141-A146 WeakPolarHBondContact CB-O 3.38Å; C141-A146 PolarHBondContact N-O 2.81Å; C144-A146 PolarHBondContact O-N 2.96Å; C144-A146 VanDerWaalsContact SG-CB 3.52Å
147P95.3Very high92.8Very high97 Ų9754.9 Ų54.963%0.6334%0.338SS*.BIsolated β-bridgetrans-66.1142.9174.328.7-34.1000110.6N139 L140N139-P147 WeakPolarHBondContact O-CA 3.24Å; L140-P147 HydrophobicContact CD2-CB 4.1Å
148F94.1Very high93.2Very high21 Ų2150.2 Ų50.29%0.09231%0.305CS..  trans-138.5150175.568.6-90.5000110.8L121 L133 S138 N139 L140 C141 D152 I153L121-F148 HydrophobicContact CD1-CB 4.05Å; L121-F148 HydrophobicContact CD1-CD1 3.4Å; L121-F148 HydrophobicContact CD1-CD2 4.37Å; L121-F148 HydrophobicContact CD1-CE1 3.87Å; L121-F148 HydrophobicContact CD1-CG 3.69Å; L121-F148 HydrophobicContact CD2-CB 4.03Å; L121-F148 HydrophobicContact CD2-CD1 4.09Å; L121-F148 HydrophobicContact CD2-CD2 3.5Å; L121-F148 VanDerWaalsContact CD2-CD2 3.5Å; L121-F148 HydrophobicContact CD2-CE1 4.42Å; L121-F148 HydrophobicContact CD2-CE2 3.91Å; L121-F148 HydrophobicContact CD2-CG 3.61Å; L121-F148 HydrophobicContact CD2-CZ 4.36Å; L121-F148 HydrophobicContact CG-CB 4.47Å; L121-F148 HydrophobicContact CG-CD1 4.38Å; L121-F148 HydrophobicContact CG-CG 4.23Å; L133-F148 HydrophobicContact CD1-CE2 4.16Å; L133-F148 HydrophobicContact CD1-CZ 3.84Å; S138-F148 VanDerWaalsContact O-CZ 3.31Å; S138-F148 WeakPolarHBondContact O-CZ 3.5Å; N139-F148 PolarHBondContact O-N 2.84Å; L140-F148 VanDerWaalsContact C-CE1 3.41Å; L140-F148 WeakPolarHBondContact O-CE1 3.31Å; C141-F148 HydrophobicContact CB-CD1 4.46Å; F148-D152 HydrophobicContact CB-CB 4.27Å; F148-I153 HydrophobicContact CD2-CD1 4.22Å; F148-I153 HydrophobicContact CD2-CG1 3.97Å; F148-I153 HydrophobicContact CE2-CD1 3.78Å; F148-I153 HydrophobicContact CE2-CG1 3.97Å
149S93.2Very high93.2Very high57 Ų5752.7 Ų52.740%0.39931%0.311SS..  trans-93.9162.6169.7-176.40000110.6D151 D152S149-D151 PolarHBondContact O-N 3.23Å; S149-D152 PolarHBondContact N-OD2 2.76Å; S149-D152 WeakPolarHBondContact O-CB 3.3Å; S149-D152 PolarHBondContact O-N 3.39Å
150S91Very high93.3Very high91 Ų9150.3 Ų50.364%0.63630%0.301SS*.G310 helixtrans-55.2-31.1171.2620000113.4D152 I153S150-D152 VanDerWaalsContact C-N 3.27Å; S150-D152 PolarHBondContact O-N 3.48Å; S150-I153 PolarHBondContact O-N 2.82Å
151D90.4Very high93.3Very high124 Ų12453.8 Ų53.866%0.66331%0.312SS*.G310 helixtrans-68.6-23.7176.2-64.9-41.6000113.5S149 I153S149-D151 PolarHBondContact O-N 3.23Å; D151-I153 VanDerWaalsContact C-N 3.25Å; D151-I153 PolarHBondContact O-N 2.89Å
152D92.5Very high93.3Very high43 Ų4359.4 Ų59.423%0.2334%0.342CS..G310 helixtrans-79.8-9.7-179.8-64.8-42.8000112.3L121 W122 F148 S149 S150 I154L121-D152 CarbonylContact C-O 3.54Å; L121-D152 WeakPolarHBondContact CA-O 3.35Å; W122-D152 HydrophobicContact CB-CB 4.23Å; W122-D152 PolarHBondContact N-O 2.92Å; F148-D152 HydrophobicContact CB-CB 4.27Å; S149-D152 PolarHBondContact N-OD2 2.76Å; S149-D152 WeakPolarHBondContact O-CB 3.3Å; S149-D152 PolarHBondContact O-N 3.39Å; S150-D152 VanDerWaalsContact C-N 3.27Å; S150-D152 PolarHBondContact O-N 3.48Å; D152-I154 PolarHBondContact O-N 3.06Å
153I94.8Very high93.4Very high43 Ų4359.1 Ų59.122%0.22134%0.34CS..EExtended strand (participates in β ladder)trans-82.9113.2-176.1-52.2173000109.1V119 L121 L133 F148 S150 D151V119-I153 HydrophobicContact CB-CG2 4.18Å; V119-I153 HydrophobicContact CG1-CG2 4.26Å; L121-I153 HydrophobicContact CD2-CG1 3.88Å; L133-I153 HydrophobicContact CD2-CD1 3.9Å; L133-I153 HydrophobicContact CD2-CG1 4.44Å; L133-I153 HydrophobicContact CD2-CG2 3.57Å; F148-I153 HydrophobicContact CD2-CD1 4.22Å; F148-I153 HydrophobicContact CD2-CG1 3.97Å; F148-I153 HydrophobicContact CE2-CD1 3.78Å; F148-I153 HydrophobicContact CE2-CG1 3.97Å; S150-I153 PolarHBondContact O-N 2.82Å; D151-I153 VanDerWaalsContact C-N 3.25Å; D151-I153 PolarHBondContact O-N 2.89Å
154I95.9Very high93.5Very high1 Ų158.6 Ų58.61%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-115.8122.1-177.3-59.6163.5000109.5L52 V119 Y120 W122 D152L52-I154 HydrophobicContact CD2-CD1 3.72Å; V119-I154 CarbonylContact C-O 3.26Å; V119-I154 VanDerWaalsContact CA-O 3.23Å; V119-I154 WeakPolarHBondContact CA-O 3.43Å; Y120-I154 HydrophobicContact CD1-CB 3.98Å; Y120-I154 HydrophobicContact CD1-CG2 4.18Å; Y120-I154 WeakPolarHBondContact CD1-O 3.39Å; Y120-I154 HydrophobicContact CE1-CB 3.5Å; Y120-I154 VanDerWaalsContact CE1-CB 3.5Å; Y120-I154 HydrophobicContact CE1-CD1 4.33Å; Y120-I154 HydrophobicContact CE1-CG2 3.33Å; Y120-I154 HydrophobicContact CE2-CB 4.25Å; Y120-I154 HydrophobicContact CE2-CD1 3.76Å; Y120-I154 PolarHBondContact N-O 3.25Å; Y120-I154 PolarHBondContact O-N 3.25Å; Y120-I154 WeakPolarHBondContact OH-CD1 3.05Å; W122-I154 HydrophobicContact CB-CD1 3.75Å; W122-I154 HydrophobicContact CD2-CD1 3.89Å; W122-I154 HydrophobicContact CE3-CD1 3.33Å; W122-I154 HydrophobicContact CG-CD1 4.09Å; W122-I154 HydrophobicContact CZ3-CD1 4.19Å; D152-I154 PolarHBondContact O-N 3.06Å
155L95.9Very high93.6Very high21 Ų2161.6 Ų61.611%0.1135%0.345CS..EExtended strand (participates in β ladder)trans-72.1126.4172.2-172.271.2000109.9G54 P117 V119 P158 E163G54-L155 WeakPolarHBondContact CA-O 3.31Å; P117-L155 HydrophobicContact CB-CD1 4Å; V119-L155 HydrophobicContact CG1-CD1 3.89Å; L155-P158 HydrophobicContact CD2-CB 4.27Å; L155-E163 HydrophobicContact CD2-CB 4.15Å; L155-E163 VanDerWaalsContact CD2-CD 3.4Å; L155-E163 HydrophobicContact CD2-CG 3.83Å; L155-E163 WeakPolarHBondContact CD2-OE1 3.49Å
156I95.9Very high93.7Very high2 Ų261.5 Ų61.51%0.0134%0.34CS..SBendtrans-76131.8174.3-61179.8000108.3W34 G54 L56 M112 F118 Y120 V127W34-I156 HydrophobicContact CH2-CB 4.37Å; W34-I156 HydrophobicContact CH2-CG2 4.24Å; W34-I156 HydrophobicContact CZ3-CG2 4.22Å; G54-I156 CarbonylContact O-C 3.55Å; G54-I156 WeakPolarHBondContact O-CA 3.38Å; L56-I156 HydrophobicContact CD1-CG2 3.95Å; L56-I156 HydrophobicContact CD2-CD1 4.47Å; L56-I156 HydrophobicContact CD2-CG2 3.93Å; L56-I156 HydrophobicContact CG-CG2 3.91Å; M112-I156 HydrophobicContact CE-CD1 3.91Å; F118-I156 HydrophobicContact CB-CB 4.4Å; F118-I156 HydrophobicContact CB-CD1 4.02Å; F118-I156 HydrophobicContact CB-CG1 4.5Å; F118-I156 PolarHBondContact O-N 2.71Å; Y120-I156 HydrophobicContact CD1-CD1 4.08Å; Y120-I156 HydrophobicContact CD1-CG1 3.62Å; Y120-I156 HydrophobicContact CE1-CG1 4.22Å; V127-I156 HydrophobicContact CG1-CD1 3.67Å
157N93.8Very high93.6Very high8 Ų860.2 Ų60.24%0.04333%0.33CS..SBendtrans52.163.1172.8-69.4-27.9000114.1L33 W34 G54 Q159L33-N157 HydrophobicContact CD1-CB 3.98Å; L33-N157 WeakPolarHBondContact CD1-OD1 3.42Å; L33-N157 HydrophobicContact CD2-CB 3.74Å; L33-N157 HydrophobicContact CG-CB 3.67Å; L33-N157 VanDerWaalsContact CG-CG 3.46Å; L33-N157 PolarHBondContact O-ND2 2.6Å; W34-N157 HydrophobicContact CZ2-CB 4.25Å; G54-N157 PolarHBondContact O-N 3.01Å; G54-N157 PolarHBondContact O-OD1 2.96Å; N157-Q159 PolarHBondContact O-N 3.43Å
158P92.7Very high93.6Very high22 Ų2261.1 Ų61.114%0.14332%0.324CS..  trans-60.5129.1178.227-35.1000111.4L53 L155 E163 I164 A167L53-P158 WeakPolarHBondContact O-CD 3.38Å; L155-P158 HydrophobicContact CD2-CB 4.27Å; P158-E163 HydrophobicContact CB-CB 3.61Å; P158-I164 HydrophobicContact CB-CG1 4.08Å; P158-I164 HydrophobicContact CG-CG1 4.18Å; P158-A167 HydrophobicContact CG-CB 4.38Å
159Q89.8Confident93.5Very high102 Ų10263.7 Ų63.748%0.47734%0.342SS..  trans-106.3-32.4-176.1-67.5-170.5-21.700112.8N30 L33 N157 E163N30-Q159 PolarHBondContact OD1-NE2 3.34Å; N30-Q159 VanDerWaalsContact OD1-NE2 3.13Å; L33-Q159 HydrophobicContact CD2-CG 4.36Å; N157-Q159 PolarHBondContact O-N 3.43Å; Q159-E163 PolarHBondContact N-OE2 3.37Å
160T92.4Very high93.5Very high71 Ų7164.1 Ų64.144%0.43633%0.334SS..SBendtrans-81.3151.4179.562.90000111.1D162 E163 I164T160-D162 VanDerWaalsContact C-N 3.28Å; T160-D162 PolarHBondContact O-N 3.48Å; T160-E163 PolarHBondContact N-OE2 2.92Å; T160-E163 PolarHBondContact O-N 3.22Å; T160-E163 VanDerWaalsContact OG1-CB 3.31Å; T160-E163 WeakPolarHBondContact OG1-CB 3.34Å; T160-E163 WeakPolarHBondContact OG1-CG 3.23Å; T160-E163 PolarHBondContact OG1-N 2.97Å; T160-E163 PolarHBondContact OG1-OE2 3.06Å; T160-I164 VanDerWaalsContact O-CG1 3.28Å; T160-I164 WeakPolarHBondContact O-CG1 3.5Å; T160-I164 PolarHBondContact O-N 3.48Å
161K94Very high93.6Very high169 Ų16960.8 Ų60.874%0.73531%0.309SS*.Hα-helixtrans-57.2-43.6-179.9-67.3-178.4-179.6178.20111.4E163 I164 E165K161-E163 PolarHBondContact O-N 3.27Å; K161-I164 PolarHBondContact O-N 2.91Å; K161-E165 WeakPolarHBondContact O-CG 3.28Å; K161-E165 PolarHBondContact O-N 3.37Å
162D95Very high93.7Very high121 Ų12159.5 Ų59.565%0.64730%0.302SS*.Hα-helixtrans-63.6-42.3-179.6-52.5-19.4000112T160 I164 E165 A166T160-D162 VanDerWaalsContact C-N 3.28Å; T160-D162 PolarHBondContact O-N 3.48Å; D162-I164 VanDerWaalsContact C-N 3.34Å; D162-I164 PolarHBondContact O-N 3.46Å; D162-E165 PolarHBondContact O-N 3.39Å; D162-A166 WeakPolarHBondContact O-CB 3.22Å; D162-A166 PolarHBondContact O-N 2.91Å
163E93.7Very high93.7Very high53 Ų5361.9 Ų61.925%0.24831%0.314CS..Hα-helixtrans-65.8-37.4176.5-72.3168.3159.600112.1R130 L155 P158 Q159 T160 K161 A167R130-E163 IonicContact NH1-OE1 3.75Å; L155-E163 HydrophobicContact CD2-CB 4.15Å; L155-E163 VanDerWaalsContact CD2-CD 3.4Å; L155-E163 HydrophobicContact CD2-CG 3.83Å; L155-E163 WeakPolarHBondContact CD2-OE1 3.49Å; P158-E163 HydrophobicContact CB-CB 3.61Å; Q159-E163 PolarHBondContact N-OE2 3.37Å; T160-E163 PolarHBondContact N-OE2 2.92Å; T160-E163 PolarHBondContact O-N 3.22Å; T160-E163 VanDerWaalsContact OG1-CB 3.31Å; T160-E163 WeakPolarHBondContact OG1-CB 3.34Å; T160-E163 WeakPolarHBondContact OG1-CG 3.23Å; T160-E163 PolarHBondContact OG1-N 2.97Å; T160-E163 PolarHBondContact OG1-OE2 3.06Å; K161-E163 PolarHBondContact O-N 3.27Å; E163-A167 WeakPolarHBondContact O-CB 3.37Å; E163-A167 PolarHBondContact O-N 3.42Å
164I93.5Very high93.4Very high61 Ų6163 Ų6331%0.31332%0.318SS..Hα-helixtrans-66.7-42.9176.5-66.5165.1000110.4P158 T160 K161 D162 A167 K168P158-I164 HydrophobicContact CB-CG1 4.08Å; P158-I164 HydrophobicContact CG-CG1 4.18Å; T160-I164 VanDerWaalsContact O-CG1 3.28Å; T160-I164 WeakPolarHBondContact O-CG1 3.5Å; T160-I164 PolarHBondContact O-N 3.48Å; K161-I164 PolarHBondContact O-N 2.91Å; D162-I164 VanDerWaalsContact C-N 3.34Å; D162-I164 PolarHBondContact O-N 3.46Å; I164-A167 PolarHBondContact O-N 2.98Å; I164-K168 HydrophobicContact CG2-CD 4.37Å; I164-K168 WeakPolarHBondContact O-CG 3.44Å; I164-K168 PolarHBondContact O-N 2.83Å
165E95.1Very high93.1Very high115 Ų11566.6 Ų66.654%0.53733%0.334SS..Hα-helixtrans-65.9-41.2177-73.3177.3-166.100112.1K161 D162 A167 K168 T169K161-E165 WeakPolarHBondContact O-CG 3.28Å; K161-E165 PolarHBondContact O-N 3.37Å; D162-E165 PolarHBondContact O-N 3.39Å; E165-A167 VanDerWaalsContact C-N 3.32Å; E165-A167 PolarHBondContact O-N 3.19Å; E165-K168 PolarHBondContact O-N 3.38Å; E165-T169 WeakPolarHBondContact O-CB 3.46Å; E165-T169 PolarHBondContact O-N 3.41Å; E165-T169 PolarHBondContact O-OG1 2.78Å
166A93.9Very high92.7Very high42 Ų4269 Ų6935%0.34735%0.35SS..Hα-helixtrans-59.9-42.7172.200000111.5D162 T169 R170D162-A166 WeakPolarHBondContact O-CB 3.22Å; D162-A166 PolarHBondContact O-N 2.91Å; A166-T169 PolarHBondContact O-N 3.36Å; A166-R170 WeakPolarHBondContact O-CG 3.44Å; A166-R170 PolarHBondContact O-N 3.45Å
167A93.5Very high92.3Very high1 Ų170.9 Ų70.91%0.00837%0.366CS..Hα-helixtrans-63.9-41.8176.700000112.8L53 P158 E163 I164 E165 R170 L171L53-A167 HydrophobicContact CD2-CB 4.28Å; P158-A167 HydrophobicContact CG-CB 4.38Å; E163-A167 WeakPolarHBondContact O-CB 3.37Å; E163-A167 PolarHBondContact O-N 3.42Å; I164-A167 PolarHBondContact O-N 2.98Å; E165-A167 VanDerWaalsContact C-N 3.32Å; E165-A167 PolarHBondContact O-N 3.19Å; A167-R170 PolarHBondContact O-N 3.08Å; A167-L171 PolarHBondContact O-N 2.92Å
168K93.6Very high91.7Very high115 Ų11572.7 Ų72.750%0.538%0.379SS..Hα-helixtrans-62-43.5174-72.8172.7-178.6175.60111.7L53 I164 E165 L171 I172L53-K168 HydrophobicContact CD2-CG 4.25Å; I164-K168 HydrophobicContact CG2-CD 4.37Å; I164-K168 WeakPolarHBondContact O-CG 3.44Å; I164-K168 PolarHBondContact O-N 2.83Å; E165-K168 PolarHBondContact O-N 3.38Å; K168-L171 WeakPolarHBondContact O-CB 3.37Å; K168-L171 PolarHBondContact O-N 2.82Å; K168-I172 WeakPolarHBondContact O-CG1 3.46Å; K168-I172 PolarHBondContact O-N 3.44Å
169T94Very high91.1Very high76 Ų7677.9 Ų77.947%0.46640%0.399SS..Hα-helixtrans-61.8-45.4178.2-56.40000111E165 A166 L171 I172 N173E165-T169 WeakPolarHBondContact O-CB 3.46Å; E165-T169 PolarHBondContact O-N 3.41Å; E165-T169 PolarHBondContact O-OG1 2.78Å; A166-T169 PolarHBondContact O-N 3.36Å; T169-L171 PolarHBondContact O-N 3.2Å; T169-I172 PolarHBondContact O-N 2.82Å; T169-N173 VanDerWaalsContact O-CG 3.25Å; T169-N173 PolarHBondContact O-N 2.83Å; T169-N173 PolarHBondContact O-OD1 2.96Å
170R93.3Very high90.5Very high65 Ų6577.2 Ų77.225%0.24540%0.402CS..Hα-helixtrans-58.1-45.1174-73.2-168.3-58.1-90.41.5112.5A166 A167 I172 N173 F174A166-R170 WeakPolarHBondContact O-CG 3.44Å; A166-R170 PolarHBondContact O-N 3.45Å; A167-R170 PolarHBondContact O-N 3.08Å; R170-I172 VanDerWaalsContact C-N 3.33Å; R170-I172 PolarHBondContact O-N 2.88Å; R170-N173 PolarHBondContact O-N 3.01Å; R170-F174 WeakPolarHBondContact O-CB 3.37Å; R170-F174 PolarHBondContact O-N 2.93Å
171L92.2Very high89.5Confident22 Ų2283 Ų8312%0.11542%0.416CS..Hα-helixtrans-58.9-44.8177.2175.967.4000111.5L52 L53 H78 A167 K168 T169 F174 Q175L52-L171 HydrophobicContact CB-CB 4.46Å; L52-L171 HydrophobicContact CB-CD1 4.03Å; L52-L171 HydrophobicContact CD1-CD1 3.92Å; L53-L171 HydrophobicContact CD1-CD2 4.18Å; L53-L171 HydrophobicContact CD2-CB 3.98Å; L53-L171 HydrophobicContact CD2-CD2 3.79Å; L53-L171 HydrophobicContact CD2-CG 4.49Å; L53-L171 HydrophobicContact CG-CD2 3.97Å; H78-L171 HydrophobicContact CB-CD1 4.3Å; H78-L171 HydrophobicContact CB-CD2 3.72Å; A167-L171 PolarHBondContact O-N 2.92Å; K168-L171 WeakPolarHBondContact O-CB 3.37Å; K168-L171 PolarHBondContact O-N 2.82Å; T169-L171 PolarHBondContact O-N 3.2Å; L171-F174 PolarHBondContact O-N 3.36Å; L171-Q175 VanDerWaalsContact O-CG 3.32Å; L171-Q175 WeakPolarHBondContact O-CG 3.41Å; L171-Q175 PolarHBondContact O-N 3.43Å
172I92.6Very high88.4Confident97 Ų9781.1 Ų81.150%0.49741%0.408SS..Hα-helixtrans-62.9-47.7178.3-66.5164.4000110.2K168 T169 R170 F174 Q175 T176K168-I172 WeakPolarHBondContact O-CG1 3.46Å; K168-I172 PolarHBondContact O-N 3.44Å; T169-I172 PolarHBondContact O-N 2.82Å; R170-I172 VanDerWaalsContact C-N 3.33Å; R170-I172 PolarHBondContact O-N 2.88Å; I172-F174 VanDerWaalsContact C-N 3.31Å; I172-F174 PolarHBondContact O-N 2.82Å; I172-Q175 PolarHBondContact O-N 2.85Å; I172-Q175 VanDerWaalsContact O-N 3.12Å; I172-T176 HydrophobicContact CG2-CG2 4.3Å; I172-T176 WeakPolarHBondContact O-CG2 3.36Å; I172-T176 PolarHBondContact O-N 3.32Å; I172-T176 PolarHBondContact O-OG1 3.13Å
173N91.6Very high87Confident92 Ų9284.9 Ų84.949%0.49241%0.413SS..Hα-helixtrans-59.7-40.5178.9-68.7-9.6000112.2T169 R170 T176 A177T169-N173 VanDerWaalsContact O-CG 3.25Å; T169-N173 PolarHBondContact O-N 2.83Å; T169-N173 PolarHBondContact O-OD1 2.96Å; R170-N173 PolarHBondContact O-N 3.01Å; N173-T176 WeakPolarHBondContact CA-OG1 3.34Å; N173-T176 PolarHBondContact O-N 3.37Å; N173-T176 PolarHBondContact O-OG1 2.88Å; N173-A177 VanDerWaalsContact O-CB 3.3Å; N173-A177 WeakPolarHBondContact O-CB 3.42Å; N173-A177 PolarHBondContact O-N 2.92Å
174F89.1Confident85.6Confident67 Ų6785.7 Ų85.729%0.29442%0.424SS..Hα-helixtrans-65.4-39.5176.1-170.9-94000112.4L52 W122 R170 L171 I172 S178L52-F174 HydrophobicContact CD1-CB 3.57Å; L52-F174 HydrophobicContact CD1-CD1 3.34Å; L52-F174 HydrophobicContact CD1-CD2 4.08Å; L52-F174 HydrophobicContact CD1-CE1 3.98Å; L52-F174 HydrophobicContact CD1-CG 3.38Å; W122-F174 HydrophobicContact CZ2-CZ 4.19Å; W122-F174 AromaticContact NE1-CE2 3.47Å; W122-F174 AromaticContact NE1-CZ 3.7Å; R170-F174 WeakPolarHBondContact O-CB 3.37Å; R170-F174 PolarHBondContact O-N 2.93Å; L171-F174 PolarHBondContact O-N 3.36Å; I172-F174 VanDerWaalsContact C-N 3.31Å; I172-F174 PolarHBondContact O-N 2.82Å; F174-S178 WeakPolarHBondContact O-CB 3.31Å; F174-S178 PolarHBondContact O-N 2.98Å; F174-S178 PolarHBondContact O-OG 3.15Å
175Q88.8Confident84.1Confident77 Ų7785.8 Ų85.836%0.3643%0.431SS..Hα-helixtrans-68.9-39.3176.9-71.5179.918.300112.4L171 I172 S178 K179L171-Q175 VanDerWaalsContact O-CG 3.32Å; L171-Q175 WeakPolarHBondContact O-CG 3.41Å; L171-Q175 PolarHBondContact O-N 3.43Å; I172-Q175 PolarHBondContact O-N 2.85Å; I172-Q175 VanDerWaalsContact O-N 3.12Å; Q175-S178 PolarHBondContact O-N 3.34Å; Q175-K179 WeakPolarHBondContact O-CG 2.94Å; Q175-K179 PolarHBondContact O-N 2.93Å; Q175-K179 VanDerWaalsContact O-N 3.13Å
176T89.4Confident82.4Confident70 Ų7083.2 Ų83.243%0.42943%0.429SS..Hα-helixtrans-68.3-44.7177.356.50000111.1I172 N173 S178 K179 T180I172-T176 HydrophobicContact CG2-CG2 4.3Å; I172-T176 WeakPolarHBondContact O-CG2 3.36Å; I172-T176 PolarHBondContact O-N 3.32Å; I172-T176 PolarHBondContact O-OG1 3.13Å; N173-T176 WeakPolarHBondContact CA-OG1 3.34Å; N173-T176 PolarHBondContact O-N 3.37Å; N173-T176 PolarHBondContact O-OG1 2.88Å; T176-S178 VanDerWaalsContact C-N 3.27Å; T176-S178 PolarHBondContact O-N 3.44Å; T176-K179 WeakPolarHBondContact O-CB 3.33Å; T176-K179 PolarHBondContact O-N 3.02Å; T176-T180 PolarHBondContact O-N 2.82Å; T176-T180 PolarHBondContact O-OG1 3.1Å
177A87.2Confident80.6Confident43 Ų4386.5 Ų86.536%0.35544%0.441SS..Hα-helixtrans-60.5-35.5174.800000112.6N173 K179 T180 R181N173-A177 VanDerWaalsContact O-CB 3.3Å; N173-A177 WeakPolarHBondContact O-CB 3.42Å; N173-A177 PolarHBondContact O-N 2.92Å; A177-K179 VanDerWaalsContact C-N 3.35Å; A177-T180 PolarHBondContact O-OG1 3.38Å; A177-R181 WeakPolarHBondContact O-CG 3.48Å; A177-R181 PolarHBondContact O-N 2.88Å
178S80.3Confident78.8Confident45 Ų4595.4 Ų95.432%0.31547%0.474SS..Hα-helixtrans-70.8-29.4175.3-65.80000113.1F174 Q175 T176 K182F174-S178 WeakPolarHBondContact O-CB 3.31Å; F174-S178 PolarHBondContact O-N 2.98Å; F174-S178 PolarHBondContact O-OG 3.15Å; Q175-S178 PolarHBondContact O-N 3.34Å; T176-S178 VanDerWaalsContact C-N 3.27Å; T176-S178 PolarHBondContact O-N 3.44Å; S178-K182 WeakPolarHBondContact O-CG 3.32Å
179K80.2Confident77.1Confident131 Ų13194.8 Ų94.857%0.5748%0.48SS*.Hα-helixtrans-76.2-39.8175.9-73.3172.2-176.7176.50111.7Q175 T176 A177 K182 R183Q175-K179 WeakPolarHBondContact O-CG 2.94Å; Q175-K179 PolarHBondContact O-N 2.93Å; Q175-K179 VanDerWaalsContact O-N 3.13Å; T176-K179 WeakPolarHBondContact O-CB 3.33Å; T176-K179 PolarHBondContact O-N 3.02Å; A177-K179 VanDerWaalsContact C-N 3.35Å; K179-K182 PolarHBondContact O-N 2.81Å; K179-R183 PolarHBondContact O-N 3.17Å; K179-R183 VanDerWaalsContact O-N 3.13Å
180T77.2Confident75.2Confident88 Ų8894 Ų9454%0.5448%0.478SS..Hα-helixtrans-64.5-41.4178.354.30000111.7T176 A177 K182 R183 S184T176-T180 PolarHBondContact O-N 2.82Å; T176-T180 PolarHBondContact O-OG1 3.1Å; A177-T180 PolarHBondContact O-OG1 3.38Å; T180-K182 VanDerWaalsContact C-N 3.27Å; T180-K182 PolarHBondContact O-N 3.22Å; T180-R183 PolarHBondContact O-N 2.95Å; T180-R183 VanDerWaalsContact O-N 3.1Å; T180-S184 PolarHBondContact O-N 3.3Å; T180-S184 PolarHBondContact O-OG 3.45Å
181R71.6Confident73.2Confident194 Ų19497.8 Ų97.873%0.73250%0.498SS*.Hα-helixtrans-60.3-33.5174.5-71.1-179.5-176.8-1622.2113.6A177 S184 S185A177-R181 WeakPolarHBondContact O-CG 3.48Å; A177-R181 PolarHBondContact O-N 2.88Å; R181-S184 PolarHBondContact O-OG 3.44Å; R181-S184 VanDerWaalsContact O-OG 3.1Å; R181-S185 PolarHBondContact O-N 2.92Å; R181-S185 PolarHBondContact O-OG 2.97Å
182K70.4Confident71.4Confident128 Ų128104.7 Ų104.756%0.55753%0.53SS*.Hα-helixtrans-73.4-34175.1-72.1177-175172.60112.6S178 K179 T180 S185 A186S178-K182 WeakPolarHBondContact O-CG 3.32Å; K179-K182 PolarHBondContact O-N 2.81Å; T180-K182 VanDerWaalsContact C-N 3.27Å; T180-K182 PolarHBondContact O-N 3.22Å; K182-S185 WeakPolarHBondContact CA-OG 3.36Å; K182-S185 PolarHBondContact O-OG 3.29Å; K182-A186 VanDerWaalsContact O-CB 3.32Å; K182-A186 WeakPolarHBondContact O-CB 3.48Å; K182-A186 PolarHBondContact O-N 3.42Å
183R65.5Low69.5Low201 Ų201104 Ų10476%0.75853%0.533SS*.Hα-helixtrans-70.7-41.8176.8-73.1-176.5174.9-179.3-2.8111.4K179 T180 S185 A186 N187K179-R183 PolarHBondContact O-N 3.17Å; K179-R183 VanDerWaalsContact O-N 3.13Å; T180-R183 PolarHBondContact O-N 2.95Å; T180-R183 VanDerWaalsContact O-N 3.1Å; R183-S185 VanDerWaalsContact C-N 3.34Å; R183-S185 PolarHBondContact O-N 2.99Å; R183-A186 PolarHBondContact O-N 3.46Å; R183-N187 PolarHBondContact O-N 3.01Å
184S64.3Low67.6Low69 Ų69106.2 Ų106.248%0.48355%0.545SS..Hα-helixtrans-67.2-33.6175.857.70000112.7T180 R181 R188T180-S184 PolarHBondContact O-N 3.3Å; T180-S184 PolarHBondContact O-OG 3.45Å; R181-S184 PolarHBondContact O-OG 3.44Å; R181-S184 VanDerWaalsContact O-OG 3.1Å; S184-R188 PolarHBondContact O-N 3.08Å
185S61.9Low65.9Low64 Ų64110.7 Ų110.745%0.44857%0.572SS.*Hα-helixtrans-72.2-35.3172.163.70000113R181 K182 R183 R188 V189R181-S185 PolarHBondContact O-N 2.92Å; R181-S185 PolarHBondContact O-OG 2.97Å; K182-S185 WeakPolarHBondContact CA-OG 3.36Å; K182-S185 PolarHBondContact O-OG 3.29Å; R183-S185 VanDerWaalsContact C-N 3.34Å; R183-S185 PolarHBondContact O-N 2.99Å; S185-R188 PolarHBondContact O-N 3.43Å; S185-V189 WeakPolarHBondContact O-CG2 3.46Å; S185-V189 PolarHBondContact O-N 2.67Å
186A60.4Low64.1Low61 Ų61114.8 Ų114.850%0.50459%0.594SS.*Hα-helixtrans-66.8-38.9176.600000111.9K182 R183 R188 V189 S190K182-A186 VanDerWaalsContact O-CB 3.32Å; K182-A186 WeakPolarHBondContact O-CB 3.48Å; K182-A186 PolarHBondContact O-N 3.42Å; R183-A186 PolarHBondContact O-N 3.46Å; A186-R188 VanDerWaalsContact C-N 3.33Å; A186-R188 PolarHBondContact O-N 3.28Å; A186-V189 PolarHBondContact O-N 2.87Å; A186-S190 PolarHBondContact O-N 2.84Å; A186-S190 PolarHBondContact O-OG 3.38Å
187N55.9Low61.9Low110 Ų110118.7 Ų118.759%0.58861%0.612SS**Hα-helixtrans-68.3-30.5178-130.338.1000113.1R183 S190R183-N187 PolarHBondContact O-N 3.01Å; N187-S190 WeakPolarHBondContact CA-OG 3.5Å; N187-S190 PolarHBondContact O-OG 3.22Å
188R56.5Low59.9Low188 Ų188124.2 Ų124.271%0.70963%0.631SS**Hα-helixtrans-74.6-27.2175.9-77.8-176.8173.8-172.9-2.3113.6S184 S185 A186S184-R188 PolarHBondContact O-N 3.08Å; S185-R188 PolarHBondContact O-N 3.43Å; A186-R188 VanDerWaalsContact C-N 3.33Å; A186-R188 PolarHBondContact O-N 3.28Å
189V57.6Low58.2Low102 Ų102129 Ų12962%0.61865%0.653SS**Hα-helixtrans-78.4-30178.2175.10000111.3S185 A186 S193S185-V189 WeakPolarHBondContact O-CG2 3.46Å; S185-V189 PolarHBondContact O-N 2.67Å; A186-V189 PolarHBondContact O-N 2.87Å; V189-S193 PolarHBondContact O-OG 3.38Å
190S53.6Low56.2Low60 Ų60130.1 Ų130.142%0.4267%0.665SS.*Hα-helixtrans-71-27.217342.50000113.9A186 N187 S193A186-S190 PolarHBondContact O-N 2.84Å; A186-S190 PolarHBondContact O-OG 3.38Å; N187-S190 WeakPolarHBondContact CA-OG 3.5Å; N187-S190 PolarHBondContact O-OG 3.22Å; S190-S193 PolarHBondContact O-OG 3.12Å
191E51.7Low55Low145 Ų145132.7 Ų132.768%0.67867%0.674SS**Hα-helixtrans-81.9-16.3177-77.9175.5155.900113.8
192Q53.8Low53.5Low167 Ų167128.4 Ų128.478%0.7867%0.671SS**SBendtrans-97.2-1.6179.5-88.8-176.2-18.200114.5
193S53.2Low52.1Low82 Ų82127.6 Ų127.657%0.57368%0.682SS**SBendtrans-95.8-1.2-179.3240000114.8V189 S190V189-S193 PolarHBondContact O-OG 3.38Å; S190-S193 PolarHBondContact O-OG 3.12Å
194D51Low51.1Low138 Ų138128.4 Ų128.474%0.73869%0.691SS**SBendtrans-98.817.1-175.5-70.5-27000114.9
195L54.1Low50Low162 Ų162136.2 Ų136.285%0.84871%0.71SS**  trans-133.634.3-176.3-69.7177.5000115.5
196I51.1Low49Very low163 Ų163140.1 Ų140.184%0.83673%0.731SS**  trans-134115.2169.1-42.6175.1000110.5
197D42.2Very low47.9Very low151 Ų151143.5 Ų143.581%0.80774%0.739SS**  trans-69.4161.6-174.3-150.8-6.8000113.5
198E45Very low47.2Very low160 Ų160145.3 Ų145.375%0.74875%0.754SS**  trans-57.3151.1-163.9-62.2-148.6116.600117.6
199N44.3Very low46.4Very low146 Ų146144 Ų14478%0.78176%0.756SS**  157.893.7125.1-80.7-50000113.5
200N39.1Very low45.5Very low153 Ų153144.7 Ų144.782%0.81876%0.756SS**  trans175.886.5134.8-119.1-46.3000114.2
201I51.9Low45Very low143 Ų143149.8 Ų149.873%0.73377%0.771SS**  22.2146.5124.7-32.1164.6000118.1
202P40Very low44.4Very low104 Ų104147.9 Ų147.968%0.67577%0.769SS**  -144-174.8-63.544-24.8000114.4
203S41.8Very low43.9Very low111 Ų111146.8 Ų146.878%0.77677%0.768SS**  trans90.2100.3147.3-61.90000121.6
204K44.1Very low43.2Very low218 Ų218151.2 Ų151.295%0.94878%0.78SS**  -157.4127.7116.2-122.1173.6-177.3176.50112.1
205R40Very low42.6Very low232 Ų232148.1 Ų148.188%0.87578%0.78SS**  trans-63.5148.5-177.3-63166.8171.9161.3-3.9112.5
206T41.1Very low41.8Very low147 Ų147148.7 Ų148.790%0.90278%0.776SS**  -163.9138.5119.1-48.70000110
207I38.2Very low41.2Very low131 Ų131149.5 Ų149.567%0.67277%0.773SS**  trans-94.7137.9-167.7-66.9154.4000110.3
208V41Very low40.8Very low148 Ų148151.4 Ų151.490%0.89777%0.774SS**  trans-150.2129.7139.7-175.60000109.5
209Q40.6Very low40.3Very low160 Ų160148.6 Ų148.675%0.74877%0.772SS**  trans-88.3145.9-178.1-63.2163.8-19.400111.6
210D38.5Very low39.9Very low117 Ų117150.4 Ų150.463%0.62678%0.776SS**  179.1118.8123.6-111.5-4.8000109.4
211K42.9Very low39.7Very low168 Ų168149.2 Ų149.273%0.7377%0.774SS**  69.9132.6100-81.9-169.3-159.1112.80113.6
212T38.9Very low39Very low105 Ų105147.4 Ų147.464%0.64477%0.774SS**  cis179.4152.2-5.9-2.50000105.8
213L42.9Very low39Very low143 Ų143147.9 Ų147.975%0.74978%0.781SS**  trans71.1147148.3-57.7159.2000118
214E39.7Very low38.9Very low176 Ų176150.3 Ų150.382%0.82278%0.779SS**  cis-174.5152.1-16.9-119.8-172.2158.600107.2
215G37.3Very low38.7Very low72 Ų72145.9 Ų145.974%0.74277%0.766SS**  trans98.2143.9152.800000117.4
216K38Very low38.7Very low175 Ų175143 Ų14376%0.76176%0.762SS**  cis176.4140.4-20.8-125174.9178.8162.10104.7
217K37.2Very low38.5Very low179 Ų179145.3 Ų145.378%0.77876%0.759SS**  trans72.5149.3149-66.8176.1177.5-173.50118.3
218K34.3Very low38.4Very low191 Ų191144.3 Ų144.383%0.8376%0.761SS**  cis176.7168.2-21-123.3-174.9178.9-166.10106.3
219S35.4Very low38.2Very low102 Ų102143.6 Ų143.671%0.71376%0.757SS**  trans77109.2162.569.80000117.9
220E35.7Very low38.2Very low184 Ų184142.8 Ų142.886%0.8676%0.764SS**  73.7125.459.7-68.7177.5177.400114.2
221T34.2Very low38.3Very low127 Ų127144 Ų14478%0.77977%0.77SS**  trans147.698.2139.1-56.30000109.5
222S38.1Very low37.8Very low105 Ų105141.7 Ų141.773%0.73477%0.772SS**  81.8137.779.1-49.70000115.8
223S39.1Very low37.8Very low115 Ų115145.6 Ų145.680%0.80478%0.783SS**  trans90.2147.3156.275.50000119.1
224E38.7Very low37.4Very low161 Ų161144.3 Ų144.375%0.75278%0.783SS**  cis-179.7154.6-34.7-150179.9118.500105.6
225L41.4Very low37.5Very low126 Ų126145 Ų14566%0.6679%0.787SS**  trans74.2144.5161.1-51.1129.9000118.4
226E39.5Very low37.7Very low170 Ų170150.2 Ų150.279%0.79479%0.791SS**  cis-166.1169.6-10.5-111.4-175.1159.900109.2
227K37.5Very low37.7Very low196 Ų196151 Ų15185%0.85280%0.798SS**  trans-71-165.7-167.5-55.7167.5176.6173.20113.9
228P36.3Very low38Very low110 Ų110147 Ų14771%0.71479%0.789SS**  cis-145164.30.822.46000119.9
229V36.9Very low38.3Very low134 Ų134143.9 Ų143.981%0.81279%0.791SS**  trans62.9119.1135.2-179.10000121.6
230T40.7Very low39Very low143 Ų143141.7 Ų141.788%0.87778%0.784SS**  -163.4124.4119.5-28.80000111.7
231D38.8Very low39.7Very low141 Ų141140.1 Ų140.175%0.75479%0.788SS**  trans-82.6159.4173.8-99.2-39.6000112.1
232P34.2Very low40.5Very low120 Ų120135.9 Ų135.978%0.77976%0.763SS**  -142.4135.894.232.2-13.3000116.6
233Q37.5Very low42Very low188 Ų188142.9 Ų142.988%0.87977%0.773SS**  trans61.9107152.4-68.6-165-52.200120.8
234P35.2Very low43.6Very low116 Ų116139 Ų13975%0.75375%0.746SS**  trans-100.9137.7149.928.3-14.4000111.6
235Q41.4Very low45.3Very low190 Ų190134.2 Ų134.289%0.88873%0.725SS**  trans-58.9134.6174.3-67.9172.8-45.800110.5E237Q235-E237 PolarHBondContact O-N 2.85Å
236Q40.8Very low46.7Very low181 Ų181130.1 Ų130.185%0.84670%0.703SS**  trans-63.9101.5177-81.2174.8-26.500111T238Q236-T238 PolarHBondContact O-N 3.39Å
237E38.6Very low48.2Very low192 Ų192128.2 Ų128.290%0.89769%0.694SS**  trans-71.2102.9157.3-64.8-173.9171.500107.8Q235 S239Q235-E237 PolarHBondContact O-N 2.85Å; E237-S239 PolarHBondContact O-N 3.42Å
238T44.4Very low50.2Low96 Ų96121 Ų12159%0.58967%0.665SS**  trans-86.8100.5170.242.60000108.7Q236 G240 N250Q236-T238 PolarHBondContact O-N 3.39Å; T238-G240 PolarHBondContact O-N 2.91Å; T238-N250 PolarHBondContact OG1-ND2 3.23Å
239S39.8Very low52.3Low124 Ų124121.5 Ų121.587%0.86767%0.668SS**  trans-56.3109.3159.353.80000109.5E237E237-S239 PolarHBondContact O-N 3.42Å
240G49.9Very low54.5Low56 Ų56120.9 Ų120.958%0.57766%0.66SS**  trans-151104.8175.800000109.3T238 S242T238-G240 PolarHBondContact O-N 2.91Å; G240-S242 PolarHBondContact O-N 3.11Å
241T50.6Low56.4Low152 Ų152116.8 Ų116.893%0.93363%0.632SS**  trans-69.166.8179.6-33.90000110.9
242S52.1Low58.4Low38 Ų38113.5 Ų113.527%0.26662%0.62SS.*  trans-95.9127.9167.791.10000108.1G240 S244 D248G240-S242 PolarHBondContact O-N 3.11Å; S242-S244 PolarHBondContact O-N 3.21Å; S242-S244 PolarHBondContact OG-O 3.23Å; S242-D248 WeakPolarHBondContact CB-OD1 3.49Å; S242-D248 PolarHBondContact OG-OD1 3.46Å
243R68.4Low60.4Low251 Ų251112.8 Ų112.895%0.94762%0.619SS**SBendtrans-77.7-3.4-178.4-75.9179174.6162.4-1.3112.2
244S72.7Confident62.3Low34 Ų34106.9 Ų106.924%0.23860%0.602CS.*SBendtrans-145.5124.5-165.7-175.10000110.3S242 Q246 E247S242-S244 PolarHBondContact O-N 3.21Å; S242-S244 PolarHBondContact OG-O 3.23Å; S244-Q246 PolarHBondContact O-N 3.47Å; S244-Q246 PolarHBondContact OG-OE1 3.14Å; S244-Q246 VanDerWaalsContact OG-OE1 3.09Å; S244-E247 WeakPolarHBondContact O-CB 3.42Å; S244-E247 PolarHBondContact O-N 3.33Å
245I73.8Confident64.4Low60 Ų60106.3 Ų106.331%0.30859%0.585SS.*THydrogen-bonded Turntrans-51.3-24176.3-59166.8000111.8L251 Y255 F259I245-L251 HydrophobicContact CG2-CD1 3.65Å; I245-Y255 HydrophobicContact CG2-CD1 4.14Å; I245-Y255 HydrophobicContact CG2-CE1 3.84Å; I245-F259 HydrophobicContact CD1-CD1 4.42Å; I245-F259 HydrophobicContact CD1-CD2 4.19Å; I245-F259 HydrophobicContact CD1-CE1 4.39Å; I245-F259 HydrophobicContact CD1-CE2 4.17Å; I245-F259 HydrophobicContact CD1-CG 4.31Å; I245-F259 HydrophobicContact CD1-CZ 4.27Å; I245-F259 HydrophobicContact CG2-CD2 4.16Å; I245-F259 HydrophobicContact CG2-CE2 4.32Å
246Q72Confident66.2Low40 Ų4099.8 Ų99.819%0.18755%0.554CS.*THydrogen-bonded Turntrans-68.4-31.5176.5-8268.130.300113.9S244 K256 T261 C262S244-Q246 PolarHBondContact O-N 3.47Å; S244-Q246 PolarHBondContact OG-OE1 3.14Å; S244-Q246 VanDerWaalsContact OG-OE1 3.09Å; Q246-K256 PolarHBondContact O-NZ 3Å; Q246-T261 PolarHBondContact NE2-OG1 2.89Å; Q246-T261 PolarHBondContact OE1-OG1 3.39Å; Q246-C262 HydrophobicContact CG-CB 3.99Å
247E70.7Confident67.8Low130 Ų13094.3 Ų94.361%0.60754%0.535SS*.THydrogen-bonded Turntrans-85.4-11.5-172.2-67.6172.5-176.400112.6S244 P249S244-E247 WeakPolarHBondContact O-CB 3.42Å; S244-E247 PolarHBondContact O-N 3.33Å; E247-P249 VanDerWaalsContact O-CD 3.28Å; E247-P249 WeakPolarHBondContact O-CD 3.27Å
248D79.5Confident69.5Low46 Ų4687 Ų8725%0.24650%0.502CS..  trans-74.2117.3-178-68.3-34.1000111.8S242 N250 L251 K256S242-D248 WeakPolarHBondContact CB-OD1 3.49Å; S242-D248 PolarHBondContact OG-OD1 3.46Å; D248-N250 PolarHBondContact O-N 3.09Å; D248-L251 HydrophobicContact CB-CB 4.42Å; D248-L251 HydrophobicContact CB-CD1 3.73Å; D248-L251 HydrophobicContact CB-CG 3.89Å; D248-L251 PolarHBondContact O-N 3Å; D248-K256 WeakPolarHBondContact O-CE 3.29Å; D248-K256 PolarHBondContact O-NZ 3.34Å
249P81.1Confident70.9Confident119 Ų11985.6 Ų85.677%0.77349%0.488SS*.THydrogen-bonded Turntrans-70-17.8178.127.9-33.3000112.7E247E247-P249 VanDerWaalsContact O-CD 3.28Å; E247-P249 WeakPolarHBondContact O-CD 3.27Å
250N81.9Confident72.2Confident122 Ų12282 Ų8265%0.65246%0.46SS*.THydrogen-bonded Turntrans-84.8-5.8-178.1-75.7-16.3000114.5T238 D248T238-N250 PolarHBondContact OG1-ND2 3.23Å; D248-N250 PolarHBondContact O-N 3.09Å
251L79.9Confident73.2Confident56 Ų5683.6 Ų83.629%0.29346%0.458SS..SBendtrans-98.4136.3-177.9-65.3176.6000111.9I245 D248 Y255 K256I245-L251 HydrophobicContact CG2-CD1 3.65Å; D248-L251 HydrophobicContact CB-CB 4.42Å; D248-L251 HydrophobicContact CB-CD1 3.73Å; D248-L251 HydrophobicContact CB-CG 3.89Å; D248-L251 PolarHBondContact O-N 3Å; L251-Y255 HydrophobicContact CB-CD1 4.25Å; L251-Y255 HydrophobicContact CD1-CD1 3.84Å; L251-Y255 HydrophobicContact CD1-CE1 3.89Å; L251-Y255 HydrophobicContact CD2-CD1 3.87Å; L251-Y255 HydrophobicContact CD2-CE1 4.06Å; L251-Y255 HydrophobicContact CG-CD1 4.22Å; L251-K256 HydrophobicContact CB-CG 4.27Å; L251-K256 WeakPolarHBondContact O-CE 3.49Å
252S81.8Confident73.9Confident72 Ų7278.1 Ų78.150%0.50343%0.426SS..  trans-65.1151.8177.674.30000111.9A254 Y255 K256S252-A254 PolarHBondContact O-N 3.42Å; S252-Y255 PolarHBondContact O-N 3.46Å; S252-Y255 PolarHBondContact OG-N 2.97Å; S252-K256 WeakPolarHBondContact O-CG 3.44Å; S252-K256 PolarHBondContact O-N 2.83Å; S252-K256 VanDerWaalsContact O-N 3.1Å
253S76.6Confident74.7Confident106 Ų10682.3 Ų82.374%0.74144%0.441SS*.Hα-helixtrans-58.2-34.2176.457.60000112.7K256 S257S253-K256 PolarHBondContact O-N 2.79Å; S253-S257 PolarHBondContact O-N 3.16Å; S253-S257 VanDerWaalsContact O-N 3.13Å
254A77.1Confident74.8Confident63 Ų6377.7 Ų77.752%0.52143%0.43SS..Hα-helixtrans-66.3-35.1175.800000112.9S252 S257S252-A254 PolarHBondContact O-N 3.42Å; A254-S257 PolarHBondContact O-OG 3.04Å
255Y79.6Confident74.4Confident104 Ų10476.8 Ų76.841%0.40842%0.424SS..Hα-helixtrans-73.2-39.8175.5-172.4-99.3000111.4I245 L251 S252 S257 L258 F259I245-Y255 HydrophobicContact CG2-CD1 4.14Å; I245-Y255 HydrophobicContact CG2-CE1 3.84Å; L251-Y255 HydrophobicContact CB-CD1 4.25Å; L251-Y255 HydrophobicContact CD1-CD1 3.84Å; L251-Y255 HydrophobicContact CD1-CE1 3.89Å; L251-Y255 HydrophobicContact CD2-CD1 3.87Å; L251-Y255 HydrophobicContact CD2-CE1 4.06Å; L251-Y255 HydrophobicContact CG-CD1 4.22Å; S252-Y255 PolarHBondContact O-N 3.46Å; S252-Y255 PolarHBondContact OG-N 2.97Å; Y255-S257 VanDerWaalsContact C-N 3.27Å; Y255-S257 PolarHBondContact O-N 3.15Å; Y255-L258 HydrophobicContact CD2-CD1 4.09Å; Y255-L258 WeakPolarHBondContact O-CB 3.27Å; Y255-L258 PolarHBondContact O-N 3.41Å; Y255-F259 HydrophobicContact CD1-CE2 4.37Å; Y255-F259 AromaticContact CE1-CE2 3.9Å; Y255-F259 HydrophobicContact CE1-CE2 3.9Å; Y255-F259 HydrophobicContact CE2-CE2 4.43Å; Y255-F259 AromaticContact CZ-CE2 3.93Å
256K78.6Confident74.2Confident54 Ų5480 Ų8024%0.23544%0.436CS..Hα-helixtrans-64.8-28.4178-67-177.9-179.8-1650113.4Q246 D248 L251 S252 S253 L258Q246-K256 PolarHBondContact O-NZ 3Å; D248-K256 WeakPolarHBondContact O-CE 3.29Å; D248-K256 PolarHBondContact O-NZ 3.34Å; L251-K256 HydrophobicContact CB-CG 4.27Å; L251-K256 WeakPolarHBondContact O-CE 3.49Å; S252-K256 WeakPolarHBondContact O-CG 3.44Å; S252-K256 PolarHBondContact O-N 2.83Å; S252-K256 VanDerWaalsContact O-N 3.1Å; S253-K256 PolarHBondContact O-N 2.79Å; K256-L258 VanDerWaalsContact C-N 3.32Å
257S75Confident74.2Confident65 Ų6587.1 Ų87.146%0.45546%0.461SS..THydrogen-bonded Turntrans-79.4-10.5-179.867.50000114.4S253 A254 Y255 F259S253-S257 PolarHBondContact O-N 3.16Å; S253-S257 VanDerWaalsContact O-N 3.13Å; A254-S257 PolarHBondContact O-OG 3.04Å; Y255-S257 VanDerWaalsContact C-N 3.27Å; Y255-S257 PolarHBondContact O-N 3.15Å; S257-F259 VanDerWaalsContact C-N 3.26Å; S257-F259 PolarHBondContact O-N 3.5Å
258L74.7Confident74.2Confident39 Ų3986.4 Ų86.420%0.20446%0.458CS..THydrogen-bonded Turntrans-70.1-23.8175-69.1166.2000112.6Y255 K256 H272 V274 T275Y255-L258 HydrophobicContact CD2-CD1 4.09Å; Y255-L258 WeakPolarHBondContact O-CB 3.27Å; Y255-L258 PolarHBondContact O-N 3.41Å; K256-L258 VanDerWaalsContact C-N 3.32Å; L258-H272 VanDerWaalsContact CD2-NE2 3.32Å; L258-H272 WeakPolarHBondContact CD2-NE2 3.35Å; L258-V274 HydrophobicContact CD2-CB 4.26Å; L258-V274 HydrophobicContact CD2-CG2 4.17Å; L258-T275 VanDerWaalsContact O-CG2 3.22Å; L258-T275 WeakPolarHBondContact O-CG2 3.37Å; L258-T275 PolarHBondContact O-OG1 3Å
259F73.2Confident74Confident66 Ų6689.9 Ų89.929%0.28948%0.483SS..SBendtrans-109.2135.8-172.3-58.2-79.6000112.1I245 Y255 S257 T261I245-F259 HydrophobicContact CD1-CD1 4.42Å; I245-F259 HydrophobicContact CD1-CD2 4.19Å; I245-F259 HydrophobicContact CD1-CE1 4.39Å; I245-F259 HydrophobicContact CD1-CE2 4.17Å; I245-F259 HydrophobicContact CD1-CG 4.31Å; I245-F259 HydrophobicContact CD1-CZ 4.27Å; I245-F259 HydrophobicContact CG2-CD2 4.16Å; I245-F259 HydrophobicContact CG2-CE2 4.32Å; Y255-F259 HydrophobicContact CD1-CE2 4.37Å; Y255-F259 AromaticContact CE1-CE2 3.9Å; Y255-F259 HydrophobicContact CE1-CE2 3.9Å; Y255-F259 HydrophobicContact CE2-CE2 4.43Å; Y255-F259 AromaticContact CZ-CE2 3.93Å; S257-F259 VanDerWaalsContact C-N 3.26Å; S257-F259 PolarHBondContact O-N 3.5Å; F259-T261 PolarHBondContact O-N 3.11Å
260N67.9Low73.7Confident50 Ų5092.2 Ų92.227%0.26748%0.481SS..THydrogen-bonded Turntrans-7612.4-173.9-61.7-38.4000114.8N277N260-N277 VanDerWaalsContact ND2-CB 3.33Å; N260-N277 WeakPolarHBondContact ND2-CB 3.47Å; N260-N277 PolarHBondContact ND2-ND2 3.29Å; N260-N277 PolarHBondContact OD1-ND2 3.06Å
261T69Low73.3Confident89 Ų8988.1 Ų88.155%0.54646%0.462SS..THydrogen-bonded Turntrans-84.4-16.4-173.535.50000113.4Q246 F259Q246-T261 PolarHBondContact NE2-OG1 2.89Å; Q246-T261 PolarHBondContact OE1-OG1 3.39Å; F259-T261 PolarHBondContact O-N 3.11Å
262C66.7Low72.9Confident37 Ų3788.8 Ų88.825%0.2546%0.463CS..SBendtrans-87.5145.5175-179.50000113.1Q246 Q264 A265 K266Q246-C262 HydrophobicContact CG-CB 3.99Å; C262-Q264 VanDerWaalsContact C-N 3.26Å; C262-Q264 PolarHBondContact O-N 2.94Å; C262-Q264 PolarHBondContact SG-N 3.13Å; C262-A265 HydrophobicContact CB-CB 4.42Å; C262-A265 WeakPolarHBondContact O-CB 3.35Å; C262-A265 PolarHBondContact O-N 3.34Å; C262-A265 VanDerWaalsContact O-N 3.09Å; C262-K266 PolarHBondContact O-N 3.17Å
263E69.4Low72.6Confident125 Ų12596 Ų9658%0.58448%0.48SS*.Hα-helixtrans-60.9-32.1176.7-141.3-168.5149.400113K266 R267E263-K266 PolarHBondContact O-N 2.84Å; E263-R267 PolarHBondContact O-N 2.85Å; E263-R267 IonicContact OE1-CZ 2.7Å; E263-R267 IonicContact OE1-NH2 3.49Å; E263-R267 PolarHBondContact OE1-NH2 3.43Å
264Q68.6Low72.6Confident155 Ų15594.7 Ų94.772%0.72447%0.467SS*.Hα-helixtrans-68-33.9174.7-67.8170.6-17.600112.4C262 R267C262-Q264 VanDerWaalsContact C-N 3.26Å; C262-Q264 PolarHBondContact O-N 2.94Å; C262-Q264 PolarHBondContact SG-N 3.13Å; Q264-R267 PolarHBondContact O-N 3.1Å
265A65.3Low72Confident14 Ų1493.2 Ų93.212%0.11645%0.452CS..Hα-helixtrans-71.3-32.4177.200000111.7C262 R267 Q268 Y280C262-A265 HydrophobicContact CB-CB 4.42Å; C262-A265 WeakPolarHBondContact O-CB 3.35Å; C262-A265 PolarHBondContact O-N 3.34Å; C262-A265 VanDerWaalsContact O-N 3.09Å; A265-R267 VanDerWaalsContact C-N 3.28Å; A265-R267 PolarHBondContact O-N 3.38Å; A265-Q268 PolarHBondContact O-N 2.85Å; A265-Y280 PolarHBondContact O-OH 3.01Å
266K68.8Low71.4Confident127 Ų12795.7 Ų95.755%0.55247%0.465SS*.Hα-helixtrans-69-22.1175.1-64.8177.8-176.9176.20113.8C262 E263C262-K266 PolarHBondContact O-N 3.17Å; E263-K266 PolarHBondContact O-N 2.84Å
267R73.3Confident70.9Confident191 Ų19193.3 Ų93.372%0.72146%0.455SS*.THydrogen-bonded Turntrans-94.4-1.7-179.1-65-177.8-169.5-163.55.8113.8E263 Q264 A265E263-R267 PolarHBondContact O-N 2.85Å; E263-R267 IonicContact OE1-CZ 2.7Å; E263-R267 IonicContact OE1-NH2 3.49Å; E263-R267 PolarHBondContact OE1-NH2 3.43Å; Q264-R267 PolarHBondContact O-N 3.1Å; A265-R267 VanDerWaalsContact C-N 3.28Å; A265-R267 PolarHBondContact O-N 3.38Å
268Q70.6Confident70.6Confident115 Ų11594.5 Ų94.554%0.53746%0.461SS..  trans-65.1144.3175.5-74.6-73-28.100109.9A265 K270 Y280A265-Q268 PolarHBondContact O-N 2.85Å; Q268-K270 VanDerWaalsContact C-N 3.34Å; Q268-Y280 WeakPolarHBondContact O-CE1 3.21Å; Q268-Y280 PolarHBondContact O-OH 2.98Å
269P74.1Confident70.3Confident119 Ų11998.6 Ų98.677%0.77348%0.482SS*.SBendtrans-80.6-12.1179.930.1-34.2000113.8
270K74.8Confident70Confident167 Ų16798.4 Ų98.473%0.72648%0.48SS*.SBendtrans-142.2144.2-175.6-166.7171.8-177.5175.60110.6Q268Q268-K270 VanDerWaalsContact C-N 3.34Å
271S75.1Confident69.8Low36 Ų36102.5 Ų102.525%0.25250%0.496SS..  trans-63.3147.9175.764.10000111.6
272H70.8Confident69.2Low71 Ų71113.3 Ų113.333%0.32953%0.527SS..  trans-69.5143.6169.7-156.976.9000109.8L258 V274 T275L258-H272 VanDerWaalsContact CD2-NE2 3.32Å; L258-H272 WeakPolarHBondContact CD2-NE2 3.35Å; H272-V274 VanDerWaalsContact C-N 3.27Å; H272-V274 PolarHBondContact O-N 3.45Å; H272-T275 PolarHBondContact O-N 2.82Å
273W75.8Confident69.3Low223 Ų223117.2 Ų117.285%0.84554%0.54SS*.SBendtrans-71.3-23-174.966.1-86.6000113.2
274V75.2Confident69.3Low78 Ų78116.7 Ų116.747%0.47354%0.538SS..SBendtrans-82-33.6177.7-170.50000111.9L258 H272L258-V274 HydrophobicContact CD2-CB 4.26Å; L258-V274 HydrophobicContact CD2-CG2 4.17Å; H272-V274 VanDerWaalsContact C-N 3.27Å; H272-V274 PolarHBondContact O-N 3.45Å
275T65.7Low69.3Low32 Ų32114.6 Ų114.620%0.19653%0.528CS..SBendtrans-119.3113.1-173.550.10000111.1L258 H272 N277L258-T275 VanDerWaalsContact O-CG2 3.22Å; L258-T275 WeakPolarHBondContact O-CG2 3.37Å; L258-T275 PolarHBondContact O-OG1 3Å; H272-T275 PolarHBondContact O-N 2.82Å; T275-N277 PolarHBondContact O-N 3.18Å; T275-N277 VanDerWaalsContact O-N 3.08Å
276F65.9Low69.6Low156 Ų156120.5 Ų120.568%0.68455%0.552SS**  trans-62111.6172.5-179.2-100.4000109.4P278 F281F276-P278 HydrophobicContact CE1-CB 4.31Å; F276-F281 HydrophobicContact CD2-CE2 4.02Å; F276-F281 AromaticContact CE2-CD2 3.77Å; F276-F281 HydrophobicContact CE2-CD2 3.77Å; F276-F281 AromaticContact CE2-CE2 3.57Å; F276-F281 HydrophobicContact CE2-CE2 3.57Å; F276-F281 HydrophobicContact CE2-CZ 4.38Å; F276-F281 HydrophobicContact CZ-CD2 4.14Å; F276-F281 HydrophobicContact CZ-CE2 4.38Å
277N68.1Low69.6Low4 Ų4120.1 Ų120.12%0.02155%0.552CS.*  trans-108.5110.5177.7-174.8-12.2000109.3N260 T275 L279 Y280N260-N277 VanDerWaalsContact ND2-CB 3.33Å; N260-N277 WeakPolarHBondContact ND2-CB 3.47Å; N260-N277 PolarHBondContact ND2-ND2 3.29Å; N260-N277 PolarHBondContact OD1-ND2 3.06Å; T275-N277 PolarHBondContact O-N 3.18Å; T275-N277 VanDerWaalsContact O-N 3.08Å; N277-L279 PolarHBondContact O-N 2.91Å; N277-L279 VanDerWaalsContact O-N 3.08Å; N277-L279 WeakPolarHBondContact OD1-CB 3.47Å; N277-L279 WeakPolarHBondContact OD1-CG 3.32Å; N277-L279 PolarHBondContact OD1-N 3.29Å; N277-L279 VanDerWaalsContact OD1-N 3.15Å; N277-Y280 HydrophobicContact CB-CD2 3.75Å; N277-Y280 HydrophobicContact CB-CE2 3.92Å; N277-Y280 VanDerWaalsContact ND2-CE2 3.29Å; N277-Y280 WeakPolarHBondContact ND2-CE2 3.4Å; N277-Y280 PolarHBondContact O-N 3.05Å
278P69Low69.4Low90 Ų90115.4 Ų115.458%0.58454%0.541SS*.G310 helixtrans-67-8.8-175.127.4-34.9000113.8F276 Y280F276-P278 HydrophobicContact CE1-CB 4.31Å; P278-Y280 PolarHBondContact O-N 3.01Å
279L68.6Low69.3Low126 Ų126115.4 Ų115.466%0.6654%0.541SS*.G310 helixtrans-71.7-13.6177.3-65.9169.9000114N277N277-L279 PolarHBondContact O-N 2.91Å; N277-L279 VanDerWaalsContact O-N 3.08Å; N277-L279 WeakPolarHBondContact OD1-CB 3.47Å; N277-L279 WeakPolarHBondContact OD1-CG 3.32Å; N277-L279 PolarHBondContact OD1-N 3.29Å; N277-L279 VanDerWaalsContact OD1-N 3.15Å
280Y68Low68.9Low62 Ų62115.2 Ų115.224%0.24352%0.523CS..G310 helixtrans-104.1-5-174.6-64.5-72.1000115.3A265 Q268 N277 P278A265-Y280 PolarHBondContact O-OH 3.01Å; Q268-Y280 WeakPolarHBondContact O-CE1 3.21Å; Q268-Y280 PolarHBondContact O-OH 2.98Å; N277-Y280 HydrophobicContact CB-CD2 3.75Å; N277-Y280 HydrophobicContact CB-CE2 3.92Å; N277-Y280 VanDerWaalsContact ND2-CE2 3.29Å; N277-Y280 WeakPolarHBondContact ND2-CE2 3.4Å; N277-Y280 PolarHBondContact O-N 3.05Å; P278-Y280 PolarHBondContact O-N 3.01Å
281F62.1Low68.4Low135 Ų135110.8 Ų110.859%0.59251%0.506SS*.  trans-109.5112.8176.8-64.3-81000108.1F276F276-F281 HydrophobicContact CD2-CE2 4.02Å; F276-F281 AromaticContact CE2-CD2 3.77Å; F276-F281 HydrophobicContact CE2-CD2 3.77Å; F276-F281 AromaticContact CE2-CE2 3.57Å; F276-F281 HydrophobicContact CE2-CE2 3.57Å; F276-F281 HydrophobicContact CE2-CZ 4.38Å; F276-F281 HydrophobicContact CZ-CD2 4.14Å; F276-F281 HydrophobicContact CZ-CE2 4.38Å
282R56.5Low67.8Low317 Ų317117.6 Ų117.6100%1.19653%0.529SS*.  trans-1210178.8-151.5-176.5-162.6156.34.2109.4

Retrieved 282 of 282 residues in 51.6 ms (Link to these results)

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