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Ribonuclease T2

Ribonuclease that plays an essential role in innate immune response by recognizing and degrading RNAs from microbial pathogens that are subsequently sensed by TLR8. Cleaves preferentially single-stranded RNA molecules between purine and uridine residues, which critically contributes to the supply of catabolic uridine and the generation of purine-2',3'-cyclophosphate-terminated oligoribonucleotides. In turn, RNase T2 degradation products promote the RNA-dependent activation of TLR8. In plasmacytoid dendritic cells, it cooperates with PLD3 or PLD4 5'->3' exonucleases to process RNA fragments and release 2',3'-cyclic guanosine monophosphate (2',3'-cGMP), a potent stimulatory ligand for TLR7. Also plays a key role in degradation of mitochondrial RNA and processing of non-coding RNA imported from the cytosol into mitochondria. Participates as well in degradation of mitochondrion-associated cytosolic rRNAs.

AlphaFold DB , UniProt , Accession A0A096N0H3, Species PAPAN (Papio anubis, Olive baboon), Gene RNASET2, Length 256 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
1M39.3Very low46.3Very low251 Ų251153.4 Ų153.4100%1.23685%0.853SS**  0129.70-74.1166.5169.600108.2
2R42.4Very low46.2Very low239 Ų239144.2 Ų144.290%0.90282%0.819SS**  trans-66.9172.2168.5-84.5-177.8174.3-167.7-0.8110.7
3P46.1Very low46.4Very low118 Ų118140.7 Ų140.777%0.76681%0.807SS**  cis-122.6161.85.521.63.2000112.7
4A42Very low46.2Very low86 Ų86140.6 Ų140.671%0.71180%0.801SS**  73.3118.55400000116
5A45.7Very low46Very low98 Ų98144.1 Ų144.181%0.8180%0.798SS**  trans64.4143.6161.700000116.6
6L45.4Very low45.8Very low163 Ų163143.1 Ų143.185%0.85379%0.791SS**  cis-157.3131.247.8-162.272000110.1
7R50Low45.9Very low245 Ų245138.5 Ų138.593%0.92578%0.776SS**  trans-68143.5164.2-73.6175166.7-170.4-4.3109.4
8G50.9Low46Very low70 Ų70138 Ų13872%0.72277%0.77SS**  trans96.8147.3151.800000116.1
9A51.9Low46Very low90 Ų90138.1 Ų138.174%0.74477%0.768SS**  trans8556.6165.400000118.4
10L48.8Very low46.1Very low158 Ų158136.1 Ų136.183%0.82776%0.763SS**SBendtrans-132.5-2.3155.7-85.2169.5000115.7
11L46.7Very low46.2Very low169 Ų169136.6 Ų136.689%0.88576%0.763SS**SBendtrans-97.80.2172.4-88.5144.9000114
12G45.3Very low46.6Very low43 Ų43128.3 Ų128.344%0.44374%0.742SS.*SBendtrans-91.9-15.1178.500000115.4
13C48.5Very low46.9Very low99 Ų99120.2 Ų120.267%0.66973%0.733SS**THydrogen-bonded Turntrans-90-13.1-173-68.70000114.7
14L43.2Very low47.1Very low139 Ų139118 Ų11873%0.72873%0.725SS**THydrogen-bonded Turntrans-92.9-16.9177.7-99.3134.3000114
15Y44Very low47.3Very low193 Ų193121.7 Ų121.776%0.75773%0.732SS**THydrogen-bonded Turntrans-87.3-20.5173.2-94.7-86.3000113.8
16L43.3Very low47Very low129 Ų129126.8 Ų126.868%0.67574%0.736SS**SBendtrans-84.1-13.6176.7-96.3135.9000113.9
17A47.6Very low46.9Very low65 Ų65129.5 Ų129.554%0.53774%0.735SS.*SBendtrans-84.9-21.5175.300000113.5
18L46.8Very low46.7Very low129 Ų129125 Ų12568%0.67573%0.729SS**SBendtrans-92.5-10.4179.4-89.2150.1000114.1
19L46.2Very low46.4Very low140 Ų140132.3 Ų132.373%0.73373%0.734SS**SBendtrans-87.8-6171.5-81.2158.8000113.6
20C47.6Very low46.6Very low97 Ų97133 Ų13366%0.65573%0.726SS**SBendtrans-93.5-0.8176.3-68.20000114.2
21L48.3Very low47.5Very low147 Ų147130.6 Ų130.677%0.7771%0.714SS**SBendtrans-95.1-4.7176.2-73.9167.3000113.9
22G48.4Very low49.2Very low78 Ų78124.8 Ų124.880%0.80468%0.682SS**SBendtrans-100.12.6177.100000115.3
23G48.9Very low51.4Low68 Ų68128.1 Ų128.170%0.70169%0.686SS**SBendtrans-118.16.9-165.800000116.5
24A49.8Very low53.6Low72 Ų72123.6 Ų123.660%0.59566%0.655SS**SBendtrans-119.712-173.500000115.1
25D46.8Very low56.1Low163 Ų163123.2 Ų123.287%0.87265%0.647SS**  trans-105.128.6175-148.719.5000113.1
26K38Very low58.6Low205 Ų205114.7 Ų114.789%0.89161%0.614SS**  trans-111.830.8165.8-76.7-173.9177.4-179.80111.4L28K26-L28 PolarHBondContact O-N 3.48Å; K26-L28 VanDerWaalsContact O-N 3.16Å
27R42.9Very low61.2Low221 Ų221108.6 Ų108.683%0.83458%0.582SS**SBendtrans-74.4101.7165.5-77.4-174.8-179.3-172.81.4108.1R29R27-R29 PolarHBondContact O-N 3.03Å
28L46.5Very low63.6Low150 Ų150106.6 Ų106.679%0.78556%0.562SS**  trans4768.1159.5-68156.9000114.7K26 D30K26-L28 PolarHBondContact O-N 3.48Å; K26-L28 VanDerWaalsContact O-N 3.16Å; L28-D30 PolarHBondContact O-N 3.19Å
29R45.6Very low66.1Low223 Ų223100.4 Ų100.484%0.84253%0.53SS*.  trans-75.977.1152.7-160.2174.1167.5-167.2-5.9106.2R27 N31R27-R29 PolarHBondContact O-N 3.03Å; R29-N31 PolarHBondContact O-N 3.09Å
30D56.1Low68.6Low106 Ų10693.8 Ų93.857%0.56750%0.495SS*.  trans-57.4109.5167.6-116.6-14.5000105.4L28 H32L28-D30 PolarHBondContact O-N 3.19Å; D30-H32 WeakPolarHBondContact CB-NE2 3.19Å; D30-H32 PolarHBondContact O-CD2 3.13Å; D30-H32 PolarHBondContact O-N 3.41Å; D30-H32 IonicContact OD2-CE1 3.41Å; D30-H32 IonicContact OD2-NE2 2.74Å
31N66.9Low71.1Confident107 Ų10789.1 Ų89.157%0.57246%0.464SS*.  trans-7980.6-175.7-156.833.9000107R29 E33R29-N31 PolarHBondContact O-N 3.09Å; N31-E33 VanDerWaalsContact ND2-CG 3.3Å; N31-E33 WeakPolarHBondContact ND2-CG 3.42Å; N31-E33 PolarHBondContact O-N 3.37Å; N31-E33 WeakPolarHBondContact OD1-CG 3.28Å
32H82.6Confident73.4Confident47 Ų4782.1 Ų82.122%0.21843%0.427CS..  trans-72.155.8177.4-64.8-60.6000111D30 C75 Q124D30-H32 WeakPolarHBondContact CB-NE2 3.19Å; D30-H32 PolarHBondContact O-CD2 3.13Å; D30-H32 PolarHBondContact O-N 3.41Å; D30-H32 IonicContact OD2-CE1 3.41Å; D30-H32 IonicContact OD2-NE2 2.74Å; H32-C75 HydrophobicContact CB-CB 4.26Å; H32-C75 WeakPolarHBondContact CB-SG 3.35Å; H32-C75 PolarHBondContact ND1-SG 2.86Å; H32-C75 WeakPolarHBondContact NE2-CA 3.32Å; H32-C75 PolarHBondContact NE2-O 3.15Å; H32-Q124 PolarHBondContact O-NE2 3.39Å; H32-Q124 PolarHBondContact O-OE1 3.21Å
33E91.1Very high75.8Confident113 Ų11378.5 Ų78.553%0.52839%0.389SS..  trans-79.5127.3179.2-73-67156.400110.3N31N31-E33 VanDerWaalsContact ND2-CG 3.3Å; N31-E33 WeakPolarHBondContact ND2-CG 3.42Å; N31-E33 PolarHBondContact O-N 3.37Å; N31-E33 WeakPolarHBondContact OD1-CG 3.28Å
34W95Very high78Confident3 Ų375.2 Ų75.21%0.01136%0.356CS..  trans-146.5148.9175.661.3-93.6000108.5L37 P69 S72 C121 V125 K205W34-L37 HydrophobicContact CH2-CD1 4.21Å; W34-L37 HydrophobicContact CH2-CD2 3.75Å; W34-L37 HydrophobicContact CH2-CG 3.84Å; W34-L37 HydrophobicContact CZ3-CD1 4.36Å; W34-L37 HydrophobicContact CZ3-CD2 3.78Å; W34-L37 HydrophobicContact CZ3-CG 3.62Å; W34-P69 HydrophobicContact CB-CB 3.99Å; W34-P69 HydrophobicContact CD2-CB 3.6Å; W34-P69 HydrophobicContact CD2-CG 4.2Å; W34-P69 HydrophobicContact CE3-CB 4Å; W34-P69 HydrophobicContact CG-CB 3.62Å; W34-P69 HydrophobicContact CZ2-CG 4.27Å; W34-S72 WeakPolarHBondContact CB-OG 3.36Å; W34-C121 PolarHBondContact NE1-O 2.9Å; W34-V125 HydrophobicContact CH2-CG2 3.51Å; W34-V125 HydrophobicContact CZ2-CG2 3.71Å; W34-K205 HydrophobicContact CD2-CD 4.17Å; W34-K205 HydrophobicContact CE3-CB 4.5Å; W34-K205 HydrophobicContact CE3-CD 3.81Å; W34-K205 HydrophobicContact CE3-CG 4.13Å; W34-K205 HydrophobicContact CH2-CB 4.32Å; W34-K205 HydrophobicContact CH2-CD 3.92Å; W34-K205 HydrophobicContact CH2-CG 3.56Å; W34-K205 HydrophobicContact CZ2-CD 4.24Å; W34-K205 HydrophobicContact CZ2-CG 4.26Å; W34-K205 HydrophobicContact CZ3-CB 3.8Å; W34-K205 HydrophobicContact CZ3-CD 3.65Å; W34-K205 HydrophobicContact CZ3-CG 3.44Å; W34-K205 VanDerWaalsContact CZ3-CG 3.44Å; W34-K205 WeakPolarHBondContact O-CD 3.03Å; W34-K205 PolarHBondContact O-NZ 3.2Å
35K95.5Very high80.1Confident131 Ų13172.8 Ų72.857%0.5733%0.332SS*.  trans-111.9-27.9-164.9-69.1-173.6176.4-175.10114D70 K205K35-D70 PolarHBondContact N-OD1 3.24Å; K35-K205 WeakPolarHBondContact O-CB 3.45Å
36K96.5Very high82.3Confident15 Ų1565.7 Ų65.77%0.06530%0.295CS..EExtended strand (participates in β ladder)trans-145.4161.2-177.361-178.1-179.1-79.40110.1D70 C202 L203 C213K36-D70 HydrophobicContact CG-CB 3.74Å; K36-D70 PolarHBondContact N-OD1 3.12Å; K36-D70 IonicContact NZ-OD2 2.56Å; K36-D70 PolarHBondContact NZ-OD2 2.96Å; K36-D70 PolarHBondContact O-N 3.44Å; K36-D70 VanDerWaalsContact O-N 3.07Å; K36-C202 HydrophobicContact CD-CB 4.09Å; K36-L203 WeakPolarHBondContact CA-O 3.37Å; K36-L203 WeakPolarHBondContact CB-O 3.35Å; K36-C213 WeakPolarHBondContact CE-O 3.47Å; K36-C213 PolarHBondContact NZ-O 2.74Å
37L98.5Very high84.9Confident0 Ų056.6 Ų56.60%026%0.256CS..EExtended strand (participates in β ladder)trans-97.9158.4169-70.2159.9000109.5W34 L67 W68 P69 A122 L128 C202 L203 Q208W34-L37 HydrophobicContact CH2-CD1 4.21Å; W34-L37 HydrophobicContact CH2-CD2 3.75Å; W34-L37 HydrophobicContact CH2-CG 3.84Å; W34-L37 HydrophobicContact CZ3-CD1 4.36Å; W34-L37 HydrophobicContact CZ3-CD2 3.78Å; W34-L37 HydrophobicContact CZ3-CG 3.62Å; L37-L67 HydrophobicContact CB-CD1 3.93Å; L37-L67 HydrophobicContact CD1-CD1 4.39Å; L37-L67 HydrophobicContact CD2-CD1 4.44Å; L37-L67 HydrophobicContact CD2-CG 4.23Å; L37-L67 HydrophobicContact CG-CD1 4.45Å; L37-W68 CarbonylContact C-O 3.54Å; L37-W68 VanDerWaalsContact CA-O 3.27Å; L37-W68 WeakPolarHBondContact CA-O 3.37Å; L37-P69 HydrophobicContact CD2-CG 3.91Å; L37-A122 HydrophobicContact CD2-CB 4.31Å; L37-L128 HydrophobicContact CD1-CD1 3.6Å; L37-L128 HydrophobicContact CD2-CD1 4.46Å; L37-C202 CarbonylContact O-C 3.41Å; L37-C202 VanDerWaalsContact O-CA 3.31Å; L37-C202 WeakPolarHBondContact O-CA 3.4Å; L37-L203 HydrophobicContact CB-CB 4.14Å; L37-L203 PolarHBondContact N-O 2.98Å; L37-L203 PolarHBondContact O-N 2.65Å; L37-Q208 HydrophobicContact CD1-CG 3.7Å
38I98.6Very high87.2Confident23 Ų2347.5 Ų47.512%0.11823%0.226CC..EExtended strand (participates in β ladder)trans-125.9114173.9-47178.5000106.3V40 L67 W68 D70 E200I38-V40 HydrophobicContact CB-CG2 4.27Å; I38-V40 HydrophobicContact CG2-CG2 3.83Å; I38-L67 CarbonylContact O-C 3.53Å; I38-L67 WeakPolarHBondContact O-CA 3.29Å; I38-W68 PolarHBondContact N-O 3.15Å; I38-W68 PolarHBondContact O-N 2.65Å; I38-D70 HydrophobicContact CD1-CB 4.12Å; I38-D70 HydrophobicContact CG1-CB 4.35Å; I38-E200 HydrophobicContact CG2-CB 3.68Å; I38-E200 HydrophobicContact CG2-CG 3.93Å
39M98.8Very high88.5Confident0 Ų045.4 Ų45.40%021%0.212CC..EExtended strand (participates in β ladder)trans-81.9117168.4179.160.2-179.200108.2Q41 I64 L67 Y142 L145 E200 L201 L203M39-Q41 HydrophobicContact CE-CG 4.07Å; M39-I64 HydrophobicContact CE-CB 4.39Å; M39-I64 HydrophobicContact CE-CD1 4.22Å; M39-I64 HydrophobicContact CE-CG1 3.79Å; M39-I64 HydrophobicContact CE-CG2 3.99Å; M39-L67 HydrophobicContact CB-CD1 4.42Å; M39-Y142 HydrophobicContact CE-CD2 4.29Å; M39-L145 HydrophobicContact CB-CD1 4.2Å; M39-L145 HydrophobicContact CG-CD1 3.76Å; M39-E200 WeakPolarHBondContact O-CA 3.3Å; M39-L201 PolarHBondContact N-O 3.48Å; M39-L201 PolarHBondContact O-N 3.08Å; M39-L203 HydrophobicContact CB-CD1 3.88Å; M39-L203 HydrophobicContact CB-CG 4.45Å
40V98.7Very high89.8Confident0 Ų040.7 Ų40.70%020%0.198CC..EExtended strand (participates in β ladder)trans-112120.6-172.2-169.90000109.3I38 H65 G66 W68 Q198 E200I38-V40 HydrophobicContact CB-CG2 4.27Å; I38-V40 HydrophobicContact CG2-CG2 3.83Å; V40-H65 HydrophobicContact CB-CB 4.04Å; V40-H65 HydrophobicContact CG1-CB 3.71Å; V40-H65 PolarHBondContact O-N 3.07Å; V40-G66 WeakPolarHBondContact CB-O 3.49Å; V40-G66 PolarHBondContact N-O 3.48Å; V40-G66 PolarHBondContact O-N 3.17Å; V40-W68 HydrophobicContact CB-CH2 4.3Å; V40-W68 HydrophobicContact CB-CZ2 4.26Å; V40-W68 HydrophobicContact CB-CZ3 4.46Å; V40-W68 HydrophobicContact CG1-CH2 3.9Å; V40-W68 HydrophobicContact CG1-CZ2 4.22Å; V40-W68 HydrophobicContact CG1-CZ3 4.2Å; V40-W68 HydrophobicContact CG2-CD2 3.61Å; V40-W68 HydrophobicContact CG2-CE3 3.52Å; V40-W68 HydrophobicContact CG2-CG 4.24Å; V40-W68 HydrophobicContact CG2-CH2 4.05Å; V40-W68 HydrophobicContact CG2-CZ2 4.15Å; V40-W68 HydrophobicContact CG2-CZ3 3.74Å; V40-Q198 HydrophobicContact CG1-CG 3.57Å; V40-Q198 VanDerWaalsContact CG1-OE1 3.28Å; V40-E200 HydrophobicContact CG1-CG 4.11Å; V40-E200 HydrophobicContact CG2-CG 4.14Å
41Q98.8Very high90.8Very high0 Ų041.8 Ų41.80%020%0.202CC..EExtended strand (participates in β ladder)trans-121.6139.3175.1-65.8172.6101.400109.2M39 W62 T63 Y142 L147 Q198 I199M39-Q41 HydrophobicContact CE-CG 4.07Å; Q41-W62 HydrophobicContact CB-CE3 4.4Å; Q41-T63 CarbonylContact C-O 3.58Å; Q41-T63 WeakPolarHBondContact CA-O 3.28Å; Q41-Y142 HydrophobicContact CG-CD2 4.35Å; Q41-Y142 VanDerWaalsContact OE1-CE2 3.31Å; Q41-L147 HydrophobicContact CB-CD2 4.07Å; Q41-Q198 CarbonylContact O-C 3.49Å; Q41-Q198 WeakPolarHBondContact O-CA 3.04Å; Q41-I199 PolarHBondContact N-O 3.29Å; Q41-I199 PolarHBondContact O-N 2.99Å
42H97.7Very high91.3Very high0 Ų040.1 Ų40.10%019%0.191CC..EExtended strand (participates in β ladder)trans-123.3158.5179.658.3-165.4000112.3P44 V47 W62 T63 H65 V100 G197 Q198H42-P44 WeakPolarHBondContact O-CD 3.39Å; H42-V47 HydrophobicContact CB-CG1 4.08Å; H42-V47 HydrophobicContact CB-CG2 4.21Å; H42-W62 WeakPolarHBondContact O-CA 3.33Å; H42-T63 PolarHBondContact CD2-O 2.98Å; H42-T63 VanDerWaalsContact CD2-O 3.31Å; H42-T63 PolarHBondContact CD2-OG1 3.15Å; H42-T63 PolarHBondContact N-O 3.17Å; H42-T63 PolarHBondContact NE2-OG1 3.08Å; H42-T63 VanDerWaalsContact NE2-OG1 3.09Å; H42-T63 PolarHBondContact O-N 3.49Å; H42-H65 AromaticContact ND1-CG 3.72Å; H42-H65 AromaticContact ND1-ND1 3.79Å; H42-V100 WeakPolarHBondContact CE1-CG2 3.26Å; H42-V100 WeakPolarHBondContact NE2-CG2 3.38Å; H42-G197 CarbonylContact C-O 3.44Å; H42-G197 WeakPolarHBondContact CA-O 3.27Å; H42-G197 WeakPolarHBondContact CB-O 3.48Å; H42-Q198 HydrophobicContact CB-CB 4.36Å
43W97.8Very high91.4Very high1 Ų141.5 Ų41.50%0.00420%0.2CC..  trans-95111.8175.7-176.2-117.4000109.8E45 T46 V47 D60 Y61 W62 P158 G197 Y248 P249 P251W43-E45 PolarHBondContact O-N 3.37Å; W43-T46 PolarHBondContact O-N 3.37Å; W43-V47 PolarHBondContact O-N 2.94Å; W43-D60 VanDerWaalsContact CH2-C 3.43Å; W43-D60 WeakPolarHBondContact CH2-O 3.48Å; W43-Y61 VanDerWaalsContact CZ3-C 3.44Å; W43-Y61 VanDerWaalsContact CZ3-CA 3.5Å; W43-W62 HydrophobicContact CB-CD2 4.29Å; W43-W62 HydrophobicContact CB-CE3 4.15Å; W43-W62 HydrophobicContact CB-CH2 3.86Å; W43-W62 HydrophobicContact CB-CZ2 4.02Å; W43-W62 HydrophobicContact CB-CZ3 3.93Å; W43-W62 AromaticContact CE3-CD1 3.72Å; W43-W62 HydrophobicContact CE3-CD2 4.12Å; W43-W62 AromaticContact CE3-CE2 3.96Å; W43-W62 AromaticContact CE3-CG 3.97Å; W43-W62 HydrophobicContact CE3-CG 3.97Å; W43-W62 AromaticContact CE3-NE1 3.69Å; W43-W62 AromaticContact CZ3-CD1 3.91Å; W43-W62 HydrophobicContact CZ3-CG 4.47Å; W43-P158 HydrophobicContact CH2-CG 3.54Å; W43-P158 HydrophobicContact CZ2-CB 4.17Å; W43-P158 HydrophobicContact CZ2-CG 3.47Å; W43-P158 VanDerWaalsContact CZ2-CG 3.47Å; W43-G197 PolarHBondContact N-O 3.38Å; W43-Y248 HydrophobicContact CD2-CD2 4.43Å; W43-Y248 AromaticContact CD2-CE2 3.5Å; W43-Y248 HydrophobicContact CD2-CE2 3.5Å; W43-Y248 AromaticContact CE2-CE2 3.48Å; W43-Y248 VanDerWaalsContact CE2-CE2 3.48Å; W43-Y248 AromaticContact CE3-CE2 3.82Å; W43-Y248 HydrophobicContact CE3-CE2 3.82Å; W43-Y248 HydrophobicContact CG-CD2 4.45Å; W43-Y248 AromaticContact CG-CE2 3.88Å; W43-Y248 HydrophobicContact CG-CE2 3.88Å; W43-Y248 HydrophobicContact CH2-CE2 4.15Å; W43-Y248 WeakPolarHBondContact CH2-OH 3.24Å; W43-Y248 AromaticContact CZ2-CE2 3.84Å; W43-Y248 HydrophobicContact CZ2-CE2 3.84Å; W43-Y248 HydrophobicContact CZ3-CE2 4.11Å; W43-Y248 WeakPolarHBondContact CZ3-OH 3.04Å; W43-Y248 AromaticContact NE1-CE2 3.77Å; W43-P249 PolarHBondContact NE1-O 2.88Å; W43-P251 HydrophobicContact CH2-CG 4.26Å; W43-P251 HydrophobicContact CZ2-CG 3.76Å
44P95.4Very high90.9Very high0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-53.7-45.4-172.5-31.438.1000114.5H42 T46 V47 C48 P58 P59 Y61 T63 V100H42-P44 WeakPolarHBondContact O-CD 3.39Å; P44-T46 PolarHBondContact O-N 3.48Å; P44-T46 VanDerWaalsContact O-N 3.12Å; P44-V47 PolarHBondContact O-N 3.43Å; P44-C48 WeakPolarHBondContact O-CB 3.23Å; P44-C48 PolarHBondContact O-N 3.32Å; P44-C48 PolarHBondContact O-SG 2.95Å; P44-P58 HydrophobicContact CB-CB 3.74Å; P44-P59 HydrophobicContact CG-CB 4.08Å; P44-P59 HydrophobicContact CG-CG 4.18Å; P44-Y61 VanDerWaalsContact CD-O 3.3Å; P44-Y61 WeakPolarHBondContact CD-O 3.47Å; P44-T63 HydrophobicContact CG-CG2 4.2Å; P44-V100 HydrophobicContact CB-CB 4.1Å; P44-V100 HydrophobicContact CB-CG1 3.92Å; P44-V100 HydrophobicContact CB-CG2 4.29Å; P44-V100 HydrophobicContact CG-CG1 4.18Å; P44-V100 HydrophobicContact CG-CG2 4.29Å
45E94.1Very high90.3Very high21 Ų2137 Ų3710%0.09818%0.18CC..Hα-helixtrans-59.5-28.4-178.5-178.761-141.900113W43 P249 P251 K252W43-E45 PolarHBondContact O-N 3.37Å; E45-P249 HydrophobicContact CB-CG 4.28Å; E45-P249 HydrophobicContact CG-CB 3.85Å; E45-P249 HydrophobicContact CG-CG 3.97Å; E45-P251 WeakPolarHBondContact OE2-CA 3.38Å; E45-K252 VanDerWaalsContact OE1-CD 3.23Å; E45-K252 WeakPolarHBondContact OE1-CD 3.28Å; E45-K252 VanDerWaalsContact OE1-CE 3.23Å; E45-K252 WeakPolarHBondContact OE1-CE 3.45Å; E45-K252 VanDerWaalsContact OE1-CG 3.24Å; E45-K252 WeakPolarHBondContact OE1-CG 3.38Å; E45-K252 IonicContact OE1-NZ 3.91Å; E45-K252 PolarHBondContact OE1-NZ 3.48Å; E45-K252 PolarHBondContact OE2-N 3.18Å
46T94.3Very high89.7Confident14 Ų1437.8 Ų37.89%0.08618%0.179CC..Hα-helixtrans-82.1-43.3176.9-58.30000112W43 P44 L185 T195 V196 P249W43-T46 PolarHBondContact O-N 3.37Å; P44-T46 PolarHBondContact O-N 3.48Å; P44-T46 VanDerWaalsContact O-N 3.12Å; T46-L185 HydrophobicContact CG2-CD1 3.72Å; T46-L185 HydrophobicContact CG2-CG 3.94Å; T46-L185 WeakPolarHBondContact O-CD1 3.4Å; T46-T195 HydrophobicContact CG2-CG2 3.72Å; T46-T195 WeakPolarHBondContact OG1-CG2 3.45Å; T46-V196 WeakPolarHBondContact CB-O 3.46Å; T46-V196 WeakPolarHBondContact CG2-O 3.3Å; T46-V196 PolarHBondContact OG1-O 2.89Å; T46-P249 VanDerWaalsContact OG1-CG 3.32Å; T46-P249 WeakPolarHBondContact OG1-CG 3.32Å
47V92.6Very high88.9Confident14 Ų1440.9 Ų40.99%0.08520%0.197CC..Hα-helixtrans-90.7-10.7-170.8-58.20000114H42 W43 P44 E49 V100 L238H42-V47 HydrophobicContact CB-CG1 4.08Å; H42-V47 HydrophobicContact CB-CG2 4.21Å; W43-V47 PolarHBondContact O-N 2.94Å; P44-V47 PolarHBondContact O-N 3.43Å; V47-E49 PolarHBondContact O-N 2.88Å; V47-E49 VanDerWaalsContact O-N 3.12Å; V47-V100 CarbonylContact C-O 3.08Å; V47-V100 HydrophobicContact CG2-CG2 3.89Å; V47-L238 HydrophobicContact CG1-CD1 4.18Å
48C89.4Confident88.3Confident29 Ų2941.6 Ų41.620%0.19620%0.202CC..  trans-65106.9175.5-850000112P44 C55 V100P44-C48 WeakPolarHBondContact O-CB 3.23Å; P44-C48 PolarHBondContact O-N 3.32Å; P44-C48 PolarHBondContact O-SG 2.95Å; C48-C55 WeakPolarHBondContact CA-SG 3.4Å; C48-C55 HydrophobicContact CB-CB 3.63Å; C48-C55 WeakPolarHBondContact CB-SG 3.25Å; C48-C55 WeakPolarHBondContact SG-CA 3.46Å; C48-C55 WeakPolarHBondContact SG-CB 3.49Å; C48-C55 CovalentContact SG-SG 2.02Å; C48-C55 PolarHBondContact SG-SG 3.23Å; C48-V100 WeakPolarHBondContact CA-O 3.39Å; C48-V100 PolarHBondContact N-O 3.33Å
49E75.7Confident88.1Confident107 Ų10741.5 Ų41.550%0.520%0.203SC..  trans-79.3-27.9178.8-68.7-172.5175.800114.2V47 R236V47-E49 PolarHBondContact O-N 2.88Å; V47-E49 VanDerWaalsContact O-N 3.12Å; E49-R236 IonicContact OE1-CZ 3.38Å; E49-R236 IonicContact OE1-NE 3.06Å; E49-R236 PolarHBondContact OE1-NE 2.98Å; E49-R236 IonicContact OE1-NH2 3.96Å; E49-R236 PolarHBondContact OE1-NH2 2.79Å; E49-R236 IonicContact OE2-CZ 2.61Å; E49-R236 IonicContact OE2-NE 2.76Å; E49-R236 IonicContact OE2-NH2 3.04Å; E49-R236 PolarHBondContact OE2-NH2 3.08Å
50K72.8Confident87.9Confident123 Ų12347 Ų4754%0.53523%0.232SC..SBendtrans-138.1134.9-173.4-63.5-175.9-177.2178.90110.6Q52 C55K50-Q52 HydrophobicContact CB-CG 3.92Å; K50-Q52 PolarHBondContact O-N 2.89Å; K50-C55 WeakPolarHBondContact O-CB 3.31Å
51I76.8Confident87.8Confident130 Ų13050.3 Ų50.367%0.66725%0.245SC*.SBendtrans-75.372.1176.8-50.8175.7000109.8I254I51-I254 HydrophobicContact CG2-CD1 3.89Å
52Q77Confident87.8Confident72 Ų7250.3 Ų50.334%0.33625%0.245SC..SBendtrans-150.5155.618067.5-178.937.400111.3K50 D54 C55 R56 S103K50-Q52 HydrophobicContact CB-CG 3.92Å; K50-Q52 PolarHBondContact O-N 2.89Å; Q52-D54 PolarHBondContact O-N 3.35Å; Q52-C55 CarbonylContact O-C 3.46Å; Q52-C55 WeakPolarHBondContact O-CA 3.32Å; Q52-C55 WeakPolarHBondContact O-CB 3.11Å; Q52-C55 PolarHBondContact O-N 3.15Å; Q52-R56 PolarHBondContact O-N 3.44Å; Q52-S103 PolarHBondContact NE2-O 2.91Å; Q52-S103 VanDerWaalsContact O-CB 3.3Å; Q52-S103 WeakPolarHBondContact O-CB 3.42Å
53N83.7Confident87.9Confident76 Ų7650.3 Ų50.341%0.40625%0.245SC..G310 helixtrans47.7-123.2177.4-56.2-50.9000112.1C55 R56 S103N53-C55 PolarHBondContact O-N 3.31Å; N53-R56 VanDerWaalsContact O-CB 3.25Å; N53-R56 WeakPolarHBondContact O-CB 3.44Å; N53-R56 PolarHBondContact O-N 3.42Å; N53-S103 PolarHBondContact ND2-O 2.65Å
54D80.5Confident87.9Confident19 Ų1950.3 Ų50.310%0.10225%0.245CC..G310 helixtrans-66.2-16.6-178.7-61.8-19000113Q52 P98 D99 V100 R107Q52-D54 PolarHBondContact O-N 3.35Å; D54-P98 HydrophobicContact CB-CB 4.12Å; D54-D99 PolarHBondContact OD2-N 2.99Å; D54-D99 VanDerWaalsContact OD2-N 3.09Å; D54-V100 HydrophobicContact CB-CG1 4.2Å; D54-R107 IonicContact OD1-CZ 2.65Å; D54-R107 IonicContact OD1-NE 2.81Å; D54-R107 PolarHBondContact OD1-NE 3.08Å; D54-R107 IonicContact OD1-NH2 3.52Å; D54-R107 PolarHBondContact OD1-NH2 3.41Å; D54-R107 VanDerWaalsContact OD2-CD 3.3Å; D54-R107 WeakPolarHBondContact OD2-CD 3.23Å; D54-R107 IonicContact OD2-CZ 3.84Å; D54-R107 IonicContact OD2-NE 2.7Å; D54-R107 PolarHBondContact OD2-NE 3.21Å
55C83.3Confident88Confident3 Ų351.6 Ų51.62%0.0225%0.251CS..G310 helixtrans-97.63.1172.9-750000114C48 K50 Q52 N53 V100 S103C48-C55 WeakPolarHBondContact CA-SG 3.4Å; C48-C55 HydrophobicContact CB-CB 3.63Å; C48-C55 WeakPolarHBondContact CB-SG 3.25Å; C48-C55 WeakPolarHBondContact SG-CA 3.46Å; C48-C55 WeakPolarHBondContact SG-CB 3.49Å; C48-C55 CovalentContact SG-SG 2.02Å; C48-C55 PolarHBondContact SG-SG 3.23Å; K50-C55 WeakPolarHBondContact O-CB 3.31Å; Q52-C55 CarbonylContact O-C 3.46Å; Q52-C55 WeakPolarHBondContact O-CA 3.32Å; Q52-C55 WeakPolarHBondContact O-CB 3.11Å; Q52-C55 PolarHBondContact O-N 3.15Å; N53-C55 PolarHBondContact O-N 3.31Å; C55-V100 VanDerWaalsContact SG-C 3.57Å; C55-V100 VanDerWaalsContact SG-CA 3.53Å; C55-V100 PolarHBondContact SG-O 3.02Å; C55-S103 VanDerWaalsContact CB-OG 3.28Å; C55-S103 WeakPolarHBondContact CB-OG 3.44Å; C55-S103 PolarHBondContact SG-OG 3.01Å
56R82.3Confident88.2Confident146 Ų14650.6 Ų50.655%0.55125%0.246SC*.THydrogen-bonded Turntrans-67.3-45171.3-172.4-178.4-163.1173.63.9110.5Q52 N53 I254Q52-R56 PolarHBondContact O-N 3.44Å; N53-R56 VanDerWaalsContact O-CB 3.25Å; N53-R56 WeakPolarHBondContact O-CB 3.44Å; N53-R56 PolarHBondContact O-N 3.42Å; R56-I254 HydrophobicContact CG-CD1 4.48Å; R56-I254 VanDerWaalsContact O-CD1 3.25Å; R56-I254 WeakPolarHBondContact O-CD1 3.39Å
57D80.8Confident88.4Confident80 Ų8050 Ų5043%0.42824%0.242SC..SBendtrans-130.880.9174-62.7-70.7000106.4
58P86.4Confident88.7Confident16 Ų1651.1 Ų51.110%0.10425%0.245CC..  trans-56.1137.9-175.2-22.332000110.7P44 D60P44-P58 HydrophobicContact CB-CB 3.74Å; P58-D60 PolarHBondContact O-N 3.5Å
59P92.9Very high89.1Confident21 Ų2150 Ų5014%0.13624%0.237CC..  trans-52.9138.2174.1-23.530.3000111.5P44 Y61 T63 P98 V100P44-P59 HydrophobicContact CG-CB 4.08Å; P44-P59 HydrophobicContact CG-CG 4.18Å; P59-Y61 HydrophobicContact CB-CD1 4.09Å; P59-Y61 HydrophobicContact CB-CD2 4.22Å; P59-Y61 HydrophobicContact CB-CE1 3.77Å; P59-Y61 HydrophobicContact CB-CE2 3.92Å; P59-Y61 HydrophobicContact CB-CG 4.3Å; P59-Y61 PolarHBondContact O-N 3.1Å; P59-T63 HydrophobicContact CB-CG2 4.17Å; P59-T63 HydrophobicContact CG-CG2 4.24Å; P59-P98 HydrophobicContact CG-CG 4.17Å; P59-V100 HydrophobicContact CG-CG1 4.45Å
60D95.3Very high89.9Confident114 Ų11446.1 Ų46.161%0.6122%0.22SC*.SBendtrans-86.526179.165.2-16.7000113W43 P58 P251W43-D60 VanDerWaalsContact CH2-C 3.43Å; W43-D60 WeakPolarHBondContact CH2-O 3.48Å; P58-D60 PolarHBondContact O-N 3.5Å; D60-P251 HydrophobicContact CB-CB 4.38Å; D60-P251 HydrophobicContact CB-CG 3.59Å
61Y97.6Very high90.9Very high71 Ų7143.8 Ų43.828%0.27821%0.21SC..SBendtrans-142.3153.8179.351-92.1000109.8W43 P44 P59 T63 A95 Y96 N148W43-Y61 VanDerWaalsContact CZ3-C 3.44Å; W43-Y61 VanDerWaalsContact CZ3-CA 3.5Å; P44-Y61 VanDerWaalsContact CD-O 3.3Å; P44-Y61 WeakPolarHBondContact CD-O 3.47Å; P59-Y61 HydrophobicContact CB-CD1 4.09Å; P59-Y61 HydrophobicContact CB-CD2 4.22Å; P59-Y61 HydrophobicContact CB-CE1 3.77Å; P59-Y61 HydrophobicContact CB-CE2 3.92Å; P59-Y61 HydrophobicContact CB-CG 4.3Å; P59-Y61 PolarHBondContact O-N 3.1Å; Y61-T63 HydrophobicContact CD2-CG2 3.81Å; Y61-T63 HydrophobicContact CE2-CG2 3.67Å; Y61-T63 PolarHBondContact O-N 2.82Å; Y61-A95 WeakPolarHBondContact CE2-O 3.31Å; Y61-A95 PolarHBondContact OH-O 2.93Å; Y61-A95 VanDerWaalsContact OH-O 3.08Å; Y61-Y96 HydrophobicContact CE2-CD1 4.39Å; Y61-N148 WeakPolarHBondContact CA-OD1 3.24Å; Y61-N148 VanDerWaalsContact CB-OD1 3.31Å; Y61-N148 WeakPolarHBondContact CB-OD1 3.47Å
62W98.5Very high91.7Very high0 Ų037.9 Ų37.90%018%0.18CC..  trans-61.1131.9171.3-69.582.3000109.8Q41 H42 W43 Y142 L147 N148 L151 V196 I199 Y248Q41-W62 HydrophobicContact CB-CE3 4.4Å; H42-W62 WeakPolarHBondContact O-CA 3.33Å; W43-W62 HydrophobicContact CB-CD2 4.29Å; W43-W62 HydrophobicContact CB-CE3 4.15Å; W43-W62 HydrophobicContact CB-CH2 3.86Å; W43-W62 HydrophobicContact CB-CZ2 4.02Å; W43-W62 HydrophobicContact CB-CZ3 3.93Å; W43-W62 AromaticContact CE3-CD1 3.72Å; W43-W62 HydrophobicContact CE3-CD2 4.12Å; W43-W62 AromaticContact CE3-CE2 3.96Å; W43-W62 AromaticContact CE3-CG 3.97Å; W43-W62 HydrophobicContact CE3-CG 3.97Å; W43-W62 AromaticContact CE3-NE1 3.69Å; W43-W62 AromaticContact CZ3-CD1 3.91Å; W43-W62 HydrophobicContact CZ3-CG 4.47Å; W62-Y142 WeakPolarHBondContact O-CE2 3.28Å; W62-Y142 PolarHBondContact O-OH 2.95Å; W62-L147 HydrophobicContact CB-CD2 4.04Å; W62-L147 HydrophobicContact CD2-CD2 3.85Å; W62-L147 HydrophobicContact CE3-CD2 4.07Å; W62-L147 HydrophobicContact CG-CD2 3.82Å; W62-L147 HydrophobicContact CG-CG 4.33Å; W62-N148 WeakPolarHBondContact CB-OD1 3.31Å; W62-N148 PolarHBondContact N-OD1 3.24Å; W62-N148 PolarHBondContact O-ND2 2.98Å; W62-N148 VanDerWaalsContact O-ND2 3.07Å; W62-L151 HydrophobicContact CZ2-CD1 4.45Å; W62-V196 HydrophobicContact CH2-CG1 4.49Å; W62-V196 HydrophobicContact CH2-CG2 4.02Å; W62-V196 HydrophobicContact CZ2-CG1 4.43Å; W62-I199 HydrophobicContact CE3-CD1 4.4Å; W62-I199 HydrophobicContact CH2-CD1 3.57Å; W62-I199 HydrophobicContact CH2-CG1 3.76Å; W62-I199 HydrophobicContact CZ2-CD1 3.7Å; W62-I199 HydrophobicContact CZ2-CG1 4.41Å; W62-I199 HydrophobicContact CZ3-CB 4.21Å; W62-I199 HydrophobicContact CZ3-CD1 3.94Å; W62-I199 HydrophobicContact CZ3-CG1 3.86Å; W62-Y248 HydrophobicContact CZ2-CE2 4.12Å; W62-Y248 AromaticContact NE1-CZ 3.71Å; W62-Y248 PolarHBondContact NE1-OH 2.95Å; W62-Y248 VanDerWaalsContact NE1-OH 3.09Å
63T98.6Very high92.5Very high0 Ų037.2 Ų37.20%018%0.177CC..EExtended strand (participates in β ladder)trans-116.2160.5179.252.40000111.4Q41 H42 P44 P59 Y61 H65 Y96 P98Q41-T63 CarbonylContact C-O 3.58Å; Q41-T63 WeakPolarHBondContact CA-O 3.28Å; H42-T63 PolarHBondContact CD2-O 2.98Å; H42-T63 VanDerWaalsContact CD2-O 3.31Å; H42-T63 PolarHBondContact CD2-OG1 3.15Å; H42-T63 PolarHBondContact N-O 3.17Å; H42-T63 PolarHBondContact NE2-OG1 3.08Å; H42-T63 VanDerWaalsContact NE2-OG1 3.09Å; H42-T63 PolarHBondContact O-N 3.49Å; P44-T63 HydrophobicContact CG-CG2 4.2Å; P59-T63 HydrophobicContact CB-CG2 4.17Å; P59-T63 HydrophobicContact CG-CG2 4.24Å; Y61-T63 HydrophobicContact CD2-CG2 3.81Å; Y61-T63 HydrophobicContact CE2-CG2 3.67Å; Y61-T63 PolarHBondContact O-N 2.82Å; T63-H65 PolarHBondContact O-N 2.97Å; T63-Y96 WeakPolarHBondContact CB-O 3.37Å; T63-P98 HydrophobicContact CG2-CG 3.73Å
64I98.8Very high93.1Very high0 Ų035 Ų350%017%0.173CC..EExtended strand (participates in β ladder)trans-67.2127175.7-53174.3000109M39 Y96 W97 L139 Y142M39-I64 HydrophobicContact CE-CB 4.39Å; M39-I64 HydrophobicContact CE-CD1 4.22Å; M39-I64 HydrophobicContact CE-CG1 3.79Å; M39-I64 HydrophobicContact CE-CG2 3.99Å; I64-Y96 WeakPolarHBondContact CB-O 3.42Å; I64-Y96 WeakPolarHBondContact CG1-O 3.44Å; I64-Y96 PolarHBondContact N-O 3.14Å; I64-W97 HydrophobicContact CB-CB 4.1Å; I64-W97 HydrophobicContact CB-CD2 3.86Å; I64-W97 HydrophobicContact CB-CE3 4.3Å; I64-W97 HydrophobicContact CB-CG 3.76Å; I64-W97 HydrophobicContact CD1-CB 4.4Å; I64-W97 HydrophobicContact CD1-CD2 4.39Å; I64-W97 HydrophobicContact CD1-CE3 4.05Å; I64-W97 HydrophobicContact CG2-CD2 3.48Å; I64-W97 VanDerWaalsContact CG2-CD2 3.48Å; I64-W97 HydrophobicContact CG2-CE3 3.77Å; I64-W97 HydrophobicContact CG2-CG 3.93Å; I64-W97 HydrophobicContact CG2-CH2 4.15Å; I64-W97 HydrophobicContact CG2-CZ2 3.91Å; I64-W97 HydrophobicContact CG2-CZ3 4.08Å; I64-W97 PolarHBondContact O-NE1 3.28Å; I64-L139 HydrophobicContact CD1-CD2 3.93Å; I64-Y142 HydrophobicContact CD1-CD1 4.45Å; I64-Y142 HydrophobicContact CD1-CD2 4.14Å; I64-Y142 HydrophobicContact CD1-CG 3.8Å; I64-Y142 HydrophobicContact CG1-CD2 3.47Å; I64-Y142 VanDerWaalsContact CG1-CD2 3.47Å; I64-Y142 HydrophobicContact CG1-CE2 4.18Å; I64-Y142 HydrophobicContact CG1-CG 3.68Å
65H97.8Very high93.9Very high28 Ų2835.2 Ų35.213%0.1318%0.175CC..EExtended strand (participates in β ladder)trans-88.3-52.6160.6-169.8167.5000109V40 H42 T63 W68 W97 I101 F110 E114 Q198V40-H65 HydrophobicContact CB-CB 4.04Å; V40-H65 HydrophobicContact CG1-CB 3.71Å; V40-H65 PolarHBondContact O-N 3.07Å; H42-H65 AromaticContact ND1-CG 3.72Å; H42-H65 AromaticContact ND1-ND1 3.79Å; T63-H65 PolarHBondContact O-N 2.97Å; H65-W68 HydrophobicContact CB-CZ2 4.46Å; H65-W68 AromaticContact CD2-CZ2 3.56Å; H65-W68 AromaticContact CE1-CH2 3.67Å; H65-W68 AromaticContact CE1-CZ2 3.72Å; H65-W68 AromaticContact CG-CZ2 3.72Å; H65-W68 AromaticContact ND1-CH2 3.77Å; H65-W68 AromaticContact ND1-CZ2 3.8Å; H65-W68 AromaticContact NE2-CZ2 3.6Å; H65-W97 WeakPolarHBondContact O-CZ2 3.42Å; H65-W97 PolarHBondContact O-NE1 3.26Å; H65-I101 VanDerWaalsContact CE1-CD1 3.47Å; H65-I101 WeakPolarHBondContact CE1-CD1 3.24Å; H65-I101 WeakPolarHBondContact NE2-CD1 3.26Å; H65-F110 AromaticContact CD2-CE2 3.98Å; H65-F110 AromaticContact CD2-CZ 3.68Å; H65-F110 WeakPolarHBondContact O-CZ 3.16Å; H65-E114 IonicContact CD2-OE1 2.77Å; H65-Q198 PolarHBondContact ND1-OE1 2.87Å
66G98.3Very high94.5Very high0 Ų038 Ų380%019%0.19CC..EExtended strand (participates in β ladder)trans177.4-175.5172.400000116.5V40V40-G66 WeakPolarHBondContact CB-O 3.49Å; V40-G66 PolarHBondContact N-O 3.48Å; V40-G66 PolarHBondContact O-N 3.17Å
67L98.8Very high95.1Very high0 Ų042.6 Ų42.60%021%0.207CC..EExtended strand (participates in β ladder)trans-123.3100.8179.4178.465.2000109.5L37 I38 M39 L128 Y134 S138 L141 L203L37-L67 HydrophobicContact CB-CD1 3.93Å; L37-L67 HydrophobicContact CD1-CD1 4.39Å; L37-L67 HydrophobicContact CD2-CD1 4.44Å; L37-L67 HydrophobicContact CD2-CG 4.23Å; L37-L67 HydrophobicContact CG-CD1 4.45Å; I38-L67 CarbonylContact O-C 3.53Å; I38-L67 WeakPolarHBondContact O-CA 3.29Å; M39-L67 HydrophobicContact CB-CD1 4.42Å; L67-L128 HydrophobicContact CD2-CD1 4.27Å; L67-L128 HydrophobicContact CD2-CD2 4.28Å; L67-Y134 HydrophobicContact CB-CE2 3.97Å; L67-Y134 HydrophobicContact CD2-CD2 4.4Å; L67-Y134 HydrophobicContact CD2-CE2 4.18Å; L67-Y134 HydrophobicContact CG-CE2 4.27Å; L67-Y134 WeakPolarHBondContact O-CE2 3.48Å; L67-Y134 PolarHBondContact O-OH 2.93Å; L67-S138 WeakPolarHBondContact CB-OG 3.36Å; L67-S138 WeakPolarHBondContact CD2-OG 3.49Å; L67-L141 HydrophobicContact CD1-CD1 4.07Å; L67-L141 HydrophobicContact CD2-CD1 4.06Å; L67-L203 HydrophobicContact CD1-CD1 3.99Å
68W98.5Very high96Very high38 Ų3844.1 Ų44.114%0.14422%0.224CC..EExtended strand (participates in β ladder)trans-112.1127.6-161.8-54.8-19.7000113.3L37 I38 V40 H65 D70 E114 H118L37-W68 CarbonylContact C-O 3.54Å; L37-W68 VanDerWaalsContact CA-O 3.27Å; L37-W68 WeakPolarHBondContact CA-O 3.37Å; I38-W68 PolarHBondContact N-O 3.15Å; I38-W68 PolarHBondContact O-N 2.65Å; V40-W68 HydrophobicContact CB-CH2 4.3Å; V40-W68 HydrophobicContact CB-CZ2 4.26Å; V40-W68 HydrophobicContact CB-CZ3 4.46Å; V40-W68 HydrophobicContact CG1-CH2 3.9Å; V40-W68 HydrophobicContact CG1-CZ2 4.22Å; V40-W68 HydrophobicContact CG1-CZ3 4.2Å; V40-W68 HydrophobicContact CG2-CD2 3.61Å; V40-W68 HydrophobicContact CG2-CE3 3.52Å; V40-W68 HydrophobicContact CG2-CG 4.24Å; V40-W68 HydrophobicContact CG2-CH2 4.05Å; V40-W68 HydrophobicContact CG2-CZ2 4.15Å; V40-W68 HydrophobicContact CG2-CZ3 3.74Å; H65-W68 HydrophobicContact CB-CZ2 4.46Å; H65-W68 AromaticContact CD2-CZ2 3.56Å; H65-W68 AromaticContact CE1-CH2 3.67Å; H65-W68 AromaticContact CE1-CZ2 3.72Å; H65-W68 AromaticContact CG-CZ2 3.72Å; H65-W68 AromaticContact ND1-CH2 3.77Å; H65-W68 AromaticContact ND1-CZ2 3.8Å; H65-W68 AromaticContact NE2-CZ2 3.6Å; W68-D70 PolarHBondContact O-N 2.96Å; W68-E114 PolarHBondContact NE1-OE2 2.9Å; W68-H118 AromaticContact CD1-CD2 3.28Å; W68-H118 AromaticContact CD1-CE1 3.83Å; W68-H118 AromaticContact CD1-CG 3.27Å; W68-H118 AromaticContact CD1-ND1 3.64Å; W68-H118 AromaticContact CD1-NE2 3.69Å; W68-H118 AromaticContact CE2-NE2 3.84Å; W68-H118 HydrophobicContact CG-CB 4.46Å; W68-H118 AromaticContact CG-CE1 3.82Å; W68-H118 AromaticContact CG-CG 3.83Å; W68-H118 AromaticContact CG-ND1 3.7Å; W68-H118 AromaticContact NE1-CD2 3.32Å; W68-H118 PolarHBondContact NE1-CD2 3.36Å; W68-H118 VanDerWaalsContact NE1-CD2 3.32Å; W68-H118 AromaticContact NE1-CG 3.83Å; W68-H118 AromaticContact NE1-NE2 3.53Å
69P97.9Very high96.5Very high5 Ų547.1 Ų47.13%0.03223%0.234CC..EExtended strand (participates in β ladder)trans-59.2129.1159.8-30.442.2000111.6W34 L37 K71 S72 C121 A122W34-P69 HydrophobicContact CB-CB 3.99Å; W34-P69 HydrophobicContact CD2-CB 3.6Å; W34-P69 HydrophobicContact CD2-CG 4.2Å; W34-P69 HydrophobicContact CE3-CB 4Å; W34-P69 HydrophobicContact CG-CB 3.62Å; W34-P69 HydrophobicContact CZ2-CG 4.27Å; L37-P69 HydrophobicContact CD2-CG 3.91Å; P69-K71 VanDerWaalsContact C-N 3.33Å; P69-K71 PolarHBondContact O-N 2.73Å; P69-S72 WeakPolarHBondContact CB-OG 3.31Å; P69-C121 HydrophobicContact CB-CB 4.16Å; P69-C121 HydrophobicContact CG-CB 3.76Å; P69-A122 HydrophobicContact CG-CB 3.91Å
70D92.8Very high96.8Very high26 Ų2649.7 Ų49.714%0.13925%0.251CS..THydrogen-bonded Turntrans-66.8-24.6-166.371.7-38.7000116.4K35 K36 I38 W68K35-D70 PolarHBondContact N-OD1 3.24Å; K36-D70 HydrophobicContact CG-CB 3.74Å; K36-D70 PolarHBondContact N-OD1 3.12Å; K36-D70 IonicContact NZ-OD2 2.56Å; K36-D70 PolarHBondContact NZ-OD2 2.96Å; K36-D70 PolarHBondContact O-N 3.44Å; K36-D70 VanDerWaalsContact O-N 3.07Å; I38-D70 HydrophobicContact CD1-CB 4.12Å; I38-D70 HydrophobicContact CG1-CB 4.35Å; W68-D70 PolarHBondContact O-N 2.96Å
71K92.6Very high96.9Very high74 Ų7445.6 Ų45.632%0.32223%0.227SC..THydrogen-bonded Turntrans-133.19.6-171.6-66.6-178.6-169.8-173.10114.1P69 E218P69-K71 VanDerWaalsContact C-N 3.33Å; P69-K71 PolarHBondContact O-N 2.73Å; K71-E218 IonicContact NZ-OE1 2.76Å; K71-E218 PolarHBondContact NZ-OE1 2.85Å
72S93.4Very high97Very high7 Ų745.4 Ų45.45%0.04923%0.231CC..  trans-143.5136.1-174.266.30000112.2W34 P69 C121W34-S72 WeakPolarHBondContact CB-OG 3.36Å; P69-S72 WeakPolarHBondContact CB-OG 3.31Å; S72-C121 VanDerWaalsContact C-SG 3.6Å; S72-C121 PolarHBondContact O-SG 2.98Å; S72-C121 WeakPolarHBondContact OG-CB 3.35Å
73E95.3Very high96.9Very high57 Ų5748 Ų4827%0.26625%0.245SC..  trans-140.8155.5177.7-57.5-176.114200110.5C75 K117 H118 C121 W227E73-C75 VanDerWaalsContact C-N 3.34Å; E73-C75 PolarHBondContact O-N 3.05Å; E73-K117 CarbonylContact C-O 3.49Å; E73-K117 WeakPolarHBondContact CA-O 3.44Å; E73-K117 HydrophobicContact CB-CG 4.05Å; E73-K117 HydrophobicContact CG-CG 4.31Å; E73-K117 WeakPolarHBondContact OE1-CE 3.17Å; E73-K117 IonicContact OE1-NZ 2.86Å; E73-K117 PolarHBondContact OE1-NZ 3.1Å; E73-K117 WeakPolarHBondContact OE2-CE 3.45Å; E73-K117 IonicContact OE2-NZ 2.94Å; E73-H118 IonicContact OE1-CE1 3.67Å; E73-H118 PolarHBondContact OE1-CE1 2.84Å; E73-H118 IonicContact OE1-ND1 2.92Å; E73-C121 WeakPolarHBondContact CA-SG 3.43Å; E73-W227 HydrophobicContact CG-CH2 4.47Å; E73-W227 HydrophobicContact CG-CZ2 4.44Å; E73-W227 WeakPolarHBondContact OE1-CH2 3.04Å
74G95.9Very high96.9Very high31 Ų3153.2 Ų53.232%0.3227%0.269SS..  trans62.536172.100000114.2N76 E116 K117G74-N76 VanDerWaalsContact C-N 3.27Å; G74-N76 PolarHBondContact O-N 3.01Å; G74-E116 WeakPolarHBondContact CA-O 3.43Å; G74-K117 PolarHBondContact N-O 3.29Å
75C96.9Very high96.9Very high22 Ų2256.6 Ų56.615%0.14929%0.285CS..  trans-72.3-14.2-167.6-60.90000115.2H32 E73 T120 C121H32-C75 HydrophobicContact CB-CB 4.26Å; H32-C75 WeakPolarHBondContact CB-SG 3.35Å; H32-C75 PolarHBondContact ND1-SG 2.86Å; H32-C75 WeakPolarHBondContact NE2-CA 3.32Å; H32-C75 PolarHBondContact NE2-O 3.15Å; E73-C75 VanDerWaalsContact C-N 3.34Å; E73-C75 PolarHBondContact O-N 3.05Å; C75-T120 PolarHBondContact N-OG1 3.02Å; C75-C121 HydrophobicContact CB-CB 3.87Å; C75-C121 WeakPolarHBondContact CB-SG 3.34Å; C75-C121 PolarHBondContact N-SG 2.8Å; C75-C121 WeakPolarHBondContact SG-CA 3.15Å; C75-C121 WeakPolarHBondContact SG-CB 3.18Å; C75-C121 CovalentContact SG-SG 2.02Å; C75-C121 PolarHBondContact SG-SG 3.43Å
76N96.7Very high96.9Very high63 Ų6355.3 Ų55.334%0.33728%0.279SS..  trans-148.592.2176.7-166.8-16.4000112.5G74 S78 W79 T120G74-N76 VanDerWaalsContact C-N 3.27Å; G74-N76 PolarHBondContact O-N 3.01Å; N76-S78 PolarHBondContact O-N 3.07Å; N76-S78 WeakPolarHBondContact OD1-CA 3.39Å; N76-S78 WeakPolarHBondContact OD1-CB 3.43Å; N76-S78 PolarHBondContact OD1-N 3.09Å; N76-W79 HydrophobicContact CB-CB 4.08Å; N76-W79 PolarHBondContact O-N 2.75Å; N76-W79 PolarHBondContact OD1-N 3.42Å; N76-T120 HydrophobicContact CB-CG2 4.19Å
77R94.8Very high96.9Very high242 Ų24260.4 Ų60.491%0.91330%0.301SS*.THydrogen-bonded Turntrans-68.5-14.5176.2-63.5-176.7-179-176.7-0.2113.9W79R77-W79 VanDerWaalsContact C-N 3.34Å
78S97.8Very high96.9Very high112 Ų11264.9 Ų64.978%0.78333%0.325SS*.THydrogen-bonded Turntrans-90.91.6176.9-61.60000112.9N76 P80N76-S78 PolarHBondContact O-N 3.07Å; N76-S78 WeakPolarHBondContact OD1-CA 3.39Å; N76-S78 WeakPolarHBondContact OD1-CB 3.43Å; N76-S78 PolarHBondContact OD1-N 3.09Å; S78-P80 VanDerWaalsContact C-CD 3.46Å; S78-P80 VanDerWaalsContact O-CD 3.24Å; S78-P80 WeakPolarHBondContact O-CD 3.37Å
79W97.9Very high96.9Very high78 Ų7864 Ų6430%0.29532%0.323SS..SBendtrans-116.874.1178.2-164.13000111.1N76 R77 W115 A123 N129N76-W79 HydrophobicContact CB-CB 4.08Å; N76-W79 PolarHBondContact O-N 2.75Å; N76-W79 PolarHBondContact OD1-N 3.42Å; R77-W79 VanDerWaalsContact C-N 3.34Å; W79-W115 HydrophobicContact CD2-CH2 4.35Å; W79-W115 AromaticContact CD2-CZ2 3.58Å; W79-W115 HydrophobicContact CD2-CZ2 3.58Å; W79-W115 AromaticContact CE2-CZ2 3.52Å; W79-W115 HydrophobicContact CE3-CH2 4.35Å; W79-W115 AromaticContact CE3-CZ2 3.88Å; W79-W115 HydrophobicContact CE3-CZ2 3.88Å; W79-W115 HydrophobicContact CG-CZ2 4.06Å; W79-W115 AromaticContact CH2-CH2 3.91Å; W79-W115 HydrophobicContact CH2-CH2 3.91Å; W79-W115 HydrophobicContact CH2-CZ2 4.11Å; W79-W115 AromaticContact CZ2-CH2 3.88Å; W79-W115 HydrophobicContact CZ2-CH2 3.88Å; W79-W115 AromaticContact CZ2-CZ2 3.81Å; W79-W115 HydrophobicContact CZ2-CZ2 3.81Å; W79-W115 HydrophobicContact CZ3-CH2 4.14Å; W79-W115 HydrophobicContact CZ3-CZ2 4.13Å; W79-W115 AromaticContact NE1-CZ2 3.89Å; W79-W115 PolarHBondContact O-NE1 2.83Å; W79-A123 HydrophobicContact CH2-CB 3.83Å; W79-A123 HydrophobicContact CZ3-CB 3.48Å; W79-A123 VanDerWaalsContact CZ3-CB 3.48Å; W79-N129 WeakPolarHBondContact CH2-O 3.17Å
80P98.3Very high96.9Very high76 Ų7665.3 Ų65.349%0.49433%0.329SS..  trans-67.1155.1-176.130.4-36.5000111.6S78 N82 Q131S78-P80 VanDerWaalsContact C-CD 3.46Å; S78-P80 VanDerWaalsContact O-CD 3.24Å; S78-P80 WeakPolarHBondContact O-CD 3.37Å; P80-N82 PolarHBondContact O-N 3.07Å; P80-Q131 PolarHBondContact O-NE2 2.02Å
81F98.6Very high97.1Very high28 Ų2868.5 Ų68.512%0.12335%0.351CS..  trans-60.7137.4172.6176.2-108000111.5L83 I86 W111 K112 W115 E116 F135F81-L83 HydrophobicContact CE1-CB 3.9Å; F81-L83 HydrophobicContact CE1-CD1 3.98Å; F81-L83 HydrophobicContact CZ-CB 4.23Å; F81-L83 HydrophobicContact CZ-CD1 3.81Å; F81-I86 HydrophobicContact CE2-CD1 3.88Å; F81-I86 HydrophobicContact CE2-CG1 4.42Å; F81-I86 HydrophobicContact CZ-CD1 3.76Å; F81-I86 HydrophobicContact CZ-CG1 4.28Å; F81-W111 HydrophobicContact CE2-CB 4.26Å; F81-W111 HydrophobicContact CZ-CB 4.03Å; F81-K112 HydrophobicContact CB-CB 3.87Å; F81-K112 HydrophobicContact CB-CG 3.85Å; F81-K112 HydrophobicContact CD1-CB 3.65Å; F81-K112 HydrophobicContact CD1-CG 4.37Å; F81-K112 HydrophobicContact CE1-CB 4.42Å; F81-K112 HydrophobicContact CG-CB 3.9Å; F81-K112 HydrophobicContact CG-CG 4.42Å; F81-W115 VanDerWaalsContact CA-CD1 3.44Å; F81-W115 HydrophobicContact CB-CB 4.22Å; F81-W115 HydrophobicContact CB-CG 4.19Å; F81-W115 HydrophobicContact CD2-CB 3.76Å; F81-W115 HydrophobicContact CD2-CG 4.02Å; F81-W115 HydrophobicContact CG-CB 4.39Å; F81-E116 HydrophobicContact CB-CG 4.42Å; F81-E116 PolarHBondContact N-OE1 2.83Å; F81-E116 VanDerWaalsContact N-OE1 3.17Å; F81-F135 HydrophobicContact CD2-CE2 4.03Å; F81-F135 HydrophobicContact CD2-CZ 4.33Å; F81-F135 AromaticContact CE2-CE2 3.65Å; F81-F135 HydrophobicContact CE2-CE2 3.65Å; F81-F135 AromaticContact CE2-CZ 3.95Å; F81-F135 HydrophobicContact CE2-CZ 3.95Å
82N98.4Very high97.4Very high66 Ų6667.9 Ų67.935%0.35335%0.35SS..  trans-130.7103.2177.8-175.14.5000110.2P80 E84 E85 Q131P80-N82 PolarHBondContact O-N 3.07Å; N82-E84 PolarHBondContact O-N 3.13Å; N82-E84 VanDerWaalsContact O-N 3.09Å; N82-E84 VanDerWaalsContact OD1-CB 3.27Å; N82-E84 WeakPolarHBondContact OD1-CB 3.4Å; N82-E84 WeakPolarHBondContact OD1-CG 3.39Å; N82-E84 PolarHBondContact OD1-N 2.91Å; N82-E85 HydrophobicContact CB-CG 4.13Å; N82-E85 WeakPolarHBondContact CB-OE1 3.49Å; N82-E85 PolarHBondContact ND2-OE1 2.97Å; N82-E85 PolarHBondContact O-N 2.91Å; N82-Q131 VanDerWaalsContact N-NE2 3.19Å
83L97.9Very high97.6Very high56 Ų5667.6 Ų67.629%0.29335%0.348SS..G310 helixtrans-57-28.7-179.4-171.165.5000112.9F81 E85 I86 K87 L90 W111F81-L83 HydrophobicContact CE1-CB 3.9Å; F81-L83 HydrophobicContact CE1-CD1 3.98Å; F81-L83 HydrophobicContact CZ-CB 4.23Å; F81-L83 HydrophobicContact CZ-CD1 3.81Å; L83-E85 VanDerWaalsContact C-N 3.26Å; L83-E85 PolarHBondContact O-N 3.16Å; L83-I86 HydrophobicContact CD1-CD1 4.25Å; L83-I86 HydrophobicContact CD1-CG1 4.22Å; L83-I86 WeakPolarHBondContact O-CG1 3.08Å; L83-I86 PolarHBondContact O-N 3.25Å; L83-K87 PolarHBondContact O-N 2.89Å; L83-L90 HydrophobicContact CD1-CD2 3.64Å; L83-L90 HydrophobicContact CG-CD2 4.46Å; L83-W111 HydrophobicContact CD1-CE3 4Å; L83-W111 HydrophobicContact CD1-CZ3 4.07Å
84E98.4Very high97.7Very high109 Ų10970.1 Ų70.151%0.50936%0.358SS..G310 helixtrans-62.3-32.8179.6-61.4-67.6128.500112.6N82 I86 K87N82-E84 PolarHBondContact O-N 3.13Å; N82-E84 VanDerWaalsContact O-N 3.09Å; N82-E84 VanDerWaalsContact OD1-CB 3.27Å; N82-E84 WeakPolarHBondContact OD1-CB 3.4Å; N82-E84 WeakPolarHBondContact OD1-CG 3.39Å; N82-E84 PolarHBondContact OD1-N 2.91Å; E84-I86 PolarHBondContact O-N 3Å; E84-K87 WeakPolarHBondContact OE1-CE 3.12Å; E84-K87 IonicContact OE1-NZ 3.49Å; E84-K87 PolarHBondContact OE1-NZ 2.82Å; E84-K87 WeakPolarHBondContact OE2-CD 3.18Å; E84-K87 WeakPolarHBondContact OE2-CE 3.29Å; E84-K87 IonicContact OE2-NZ 3.75Å; E84-K87 PolarHBondContact OE2-NZ 3.39Å
85E98.4Very high97.7Very high71 Ų7170.3 Ų70.333%0.33236%0.356SS..G310 helixtrans-70.5-19.5-178.8-69.3-178.4-135.700113.2N82 L83 Q131N82-E85 HydrophobicContact CB-CG 4.13Å; N82-E85 WeakPolarHBondContact CB-OE1 3.49Å; N82-E85 PolarHBondContact ND2-OE1 2.97Å; N82-E85 PolarHBondContact O-N 2.91Å; L83-E85 VanDerWaalsContact C-N 3.26Å; L83-E85 PolarHBondContact O-N 3.16Å; E85-Q131 HydrophobicContact CB-CB 4.19Å; E85-Q131 PolarHBondContact OE1-NE2 3.32Å; E85-Q131 WeakPolarHBondContact OE2-CG 3.09Å
86I98.4Very high97.7Very high0 Ų073 Ų730%036%0.364CS..G310 helixtrans-117.716.2-176.768.5161.9000113.1F81 L83 E84 D88 L89 L90 M93 W111 Q131 F135F81-I86 HydrophobicContact CE2-CD1 3.88Å; F81-I86 HydrophobicContact CE2-CG1 4.42Å; F81-I86 HydrophobicContact CZ-CD1 3.76Å; F81-I86 HydrophobicContact CZ-CG1 4.28Å; L83-I86 HydrophobicContact CD1-CD1 4.25Å; L83-I86 HydrophobicContact CD1-CG1 4.22Å; L83-I86 WeakPolarHBondContact O-CG1 3.08Å; L83-I86 PolarHBondContact O-N 3.25Å; E84-I86 PolarHBondContact O-N 3Å; I86-D88 PolarHBondContact O-N 3.25Å; I86-D88 VanDerWaalsContact O-N 3.15Å; I86-L89 HydrophobicContact CB-CB 4.49Å; I86-L89 HydrophobicContact CB-CD1 4.36Å; I86-L89 HydrophobicContact CG2-CD1 4.48Å; I86-L89 WeakPolarHBondContact O-CB 3.48Å; I86-L89 PolarHBondContact O-N 2.03Å; I86-L90 HydrophobicContact CD1-CD2 4.29Å; I86-L90 HydrophobicContact CG1-CD2 4.27Å; I86-L90 PolarHBondContact O-N 2.95Å; I86-M93 HydrophobicContact CD1-CE 4.44Å; I86-W111 HydrophobicContact CD1-CE3 4.47Å; I86-Q131 HydrophobicContact CG2-CB 4.18Å; I86-F135 HydrophobicContact CD1-CD2 4.24Å; I86-F135 HydrophobicContact CD1-CE2 4.48Å; I86-F135 HydrophobicContact CD1-CG 4.46Å; I86-F135 HydrophobicContact CG2-CB 4.32Å; I86-F135 HydrophobicContact CG2-CD2 3.71Å; I86-F135 HydrophobicContact CG2-CE2 4.49Å; I86-F135 HydrophobicContact CG2-CG 4.32Å
87K97.9Very high97.8Very high108 Ų10870 Ų7047%0.4735%0.348SS..G310 helixtrans-52.9-38-175-96.1-179.9163.6177.40114L83 E84 L89 L90L83-K87 PolarHBondContact O-N 2.89Å; E84-K87 WeakPolarHBondContact OE1-CE 3.12Å; E84-K87 IonicContact OE1-NZ 3.49Å; E84-K87 PolarHBondContact OE1-NZ 2.82Å; E84-K87 WeakPolarHBondContact OE2-CD 3.18Å; E84-K87 WeakPolarHBondContact OE2-CE 3.29Å; E84-K87 IonicContact OE2-NZ 3.75Å; E84-K87 PolarHBondContact OE2-NZ 3.39Å; K87-L89 VanDerWaalsContact C-N 3.32Å; K87-L90 HydrophobicContact CG-CD1 4.27Å; K87-L90 WeakPolarHBondContact O-CB 3.48Å; K87-L90 WeakPolarHBondContact O-CG 3.35Å; K87-L90 PolarHBondContact O-N 2.79Å
88D98.3Very high97.8Very high93 Ų9358.6 Ų58.650%0.49731%0.305SS..G310 helixtrans-73.7-22.9179.260-37.5000113.4I86 K132I86-D88 PolarHBondContact O-N 3.25Å; I86-D88 VanDerWaalsContact O-N 3.15Å; D88-K132 VanDerWaalsContact CG-NZ 3.33Å; D88-K132 WeakPolarHBondContact OD1-CE 3.33Å; D88-K132 IonicContact OD1-NZ 2.74Å; D88-K132 PolarHBondContact OD1-NZ 3.43Å; D88-K132 WeakPolarHBondContact OD2-CE 3.4Å; D88-K132 IonicContact OD2-NZ 3.67Å; D88-K132 PolarHBondContact OD2-NZ 3.12Å
89L98.7Very high97.5Very high20 Ų2053.2 Ų53.211%0.10527%0.268CS..G310 helixtrans-85.2-12.2176.5-54.7-179.4000112.9I86 K87 E92 M93 K132 F135 L139I86-L89 HydrophobicContact CB-CB 4.49Å; I86-L89 HydrophobicContact CB-CD1 4.36Å; I86-L89 HydrophobicContact CG2-CD1 4.48Å; I86-L89 WeakPolarHBondContact O-CB 3.48Å; I86-L89 PolarHBondContact O-N 2.03Å; K87-L89 VanDerWaalsContact C-N 3.32Å; L89-E92 PolarHBondContact O-N 2.76Å; L89-M93 HydrophobicContact CB-CG 4.02Å; L89-M93 VanDerWaalsContact O-CG 3.31Å; L89-M93 WeakPolarHBondContact O-CG 3.22Å; L89-M93 PolarHBondContact O-N 3.47Å; L89-K132 HydrophobicContact CD1-CG 4.37Å; L89-F135 HydrophobicContact CD1-CB 3.92Å; L89-L139 HydrophobicContact CB-CD1 4.11Å; L89-L139 HydrophobicContact CD1-CD1 4.46Å; L89-L139 HydrophobicContact CD2-CD1 4.39Å
90L97.8Very high97.1Very high32 Ų3249.5 Ų49.517%0.16825%0.254CS..Hα-helixtrans-54.3-37.6-172.6-65.5179.9000115.4L83 I86 K87 E92 K94 W111L83-L90 HydrophobicContact CD1-CD2 3.64Å; L83-L90 HydrophobicContact CG-CD2 4.46Å; I86-L90 HydrophobicContact CD1-CD2 4.29Å; I86-L90 HydrophobicContact CG1-CD2 4.27Å; I86-L90 PolarHBondContact O-N 2.95Å; K87-L90 HydrophobicContact CG-CD1 4.27Å; K87-L90 WeakPolarHBondContact O-CB 3.48Å; K87-L90 WeakPolarHBondContact O-CG 3.35Å; K87-L90 PolarHBondContact O-N 2.79Å; L90-E92 VanDerWaalsContact C-N 3.34Å; L90-K94 VanDerWaalsContact O-CB 3.29Å; L90-K94 WeakPolarHBondContact O-CB 3.45Å; L90-K94 WeakPolarHBondContact O-CG 3.34Å; L90-K94 PolarHBondContact O-N 3.28Å; L90-W111 HydrophobicContact CD2-CE3 4.4Å; L90-W111 HydrophobicContact CD2-CH2 4.28Å; L90-W111 HydrophobicContact CD2-CZ3 3.69Å
91P97.9Very high96.4Very high93 Ų9346.4 Ų46.460%0.60423%0.233SC*.Hα-helixtrans-59.4-45.4175.2-24.535.9000112.3K94 A95P91-K94 PolarHBondContact O-N 3.29Å; P91-A95 PolarHBondContact O-N 3.08Å
92E98.3Very high95.5Very high62 Ų6248.1 Ų48.129%0.2924%0.241SC..Hα-helixtrans-72.9-41.9179.1-64-166.4-95.800111.8L89 L90 K94 A95 Y96 L139 R143L89-E92 PolarHBondContact O-N 2.76Å; L90-E92 VanDerWaalsContact C-N 3.34Å; E92-K94 PolarHBondContact O-N 3.42Å; E92-A95 PolarHBondContact O-N 3.35Å; E92-Y96 HydrophobicContact CB-CD2 4.23Å; E92-Y96 PolarHBondContact O-N 3.43Å; E92-L139 HydrophobicContact CB-CD1 3.83Å; E92-L139 HydrophobicContact CB-CD2 4.02Å; E92-R143 IonicContact OE1-NH1 3.25Å; E92-R143 IonicContact OE2-CZ 3.73Å; E92-R143 IonicContact OE2-NH1 3.32Å; E92-R143 PolarHBondContact OE2-NH1 2.77Å
93M98Very high94.3Very high0 Ų045 Ų450%022%0.224CC..Hα-helixtrans-56-39.9174.3-67.5-64.8-65.400111.4I86 L89 A95 W97 W111 F135 L139I86-M93 HydrophobicContact CD1-CE 4.44Å; L89-M93 HydrophobicContact CB-CG 4.02Å; L89-M93 VanDerWaalsContact O-CG 3.31Å; L89-M93 WeakPolarHBondContact O-CG 3.22Å; L89-M93 PolarHBondContact O-N 3.47Å; M93-A95 VanDerWaalsContact C-N 3.32Å; M93-A95 PolarHBondContact O-N 3.34Å; M93-W97 HydrophobicContact CE-CB 4.2Å; M93-W97 HydrophobicContact CE-CD2 3.94Å; M93-W97 HydrophobicContact CE-CE3 3.65Å; M93-W97 HydrophobicContact CE-CG 4.19Å; M93-W97 HydrophobicContact CE-CZ3 4.35Å; M93-W97 CarbonylContact O-C 3.39Å; M93-W97 VanDerWaalsContact O-CA 3.26Å; M93-W97 WeakPolarHBondContact O-CA 3.3Å; M93-W97 WeakPolarHBondContact O-CB 3.32Å; M93-W97 PolarHBondContact O-N 3.45Å; M93-W97 HydrophobicContact SD-CB 4.46Å; M93-W97 HydrophobicContact SD-CE3 3.85Å; M93-W111 HydrophobicContact CB-CH2 4.01Å; M93-W111 HydrophobicContact CB-CZ2 3.7Å; M93-W111 HydrophobicContact CE-CB 4.3Å; M93-W111 VanDerWaalsContact CE-CD1 3.46Å; M93-W111 HydrophobicContact CE-CD2 3.85Å; M93-W111 HydrophobicContact CE-CG 3.62Å; M93-F135 HydrophobicContact CE-CD1 3.28Å; M93-F135 HydrophobicContact CE-CE1 3.62Å; M93-F135 HydrophobicContact CE-CG 4.1Å; M93-F135 HydrophobicContact SD-CB 4.13Å; M93-F135 HydrophobicContact SD-CD1 3.87Å; M93-F135 HydrophobicContact SD-CG 4.32Å; M93-L139 HydrophobicContact CG-CD1 4.24Å; M93-L139 HydrophobicContact SD-CD1 3.85Å; M93-L139 HydrophobicContact SD-CD2 4.22Å; M93-L139 HydrophobicContact SD-CG 4.11Å
94K95.6Very high93.3Very high111 Ų11145 Ų4548%0.48322%0.222SC..Hα-helixtrans-69.3-28177.5-77.8176.4-175.4178.90113.8L90 P91 E92 R107 W111L90-K94 VanDerWaalsContact O-CB 3.29Å; L90-K94 WeakPolarHBondContact O-CB 3.45Å; L90-K94 WeakPolarHBondContact O-CG 3.34Å; L90-K94 PolarHBondContact O-N 3.28Å; P91-K94 PolarHBondContact O-N 3.29Å; E92-K94 PolarHBondContact O-N 3.42Å; K94-R107 VanDerWaalsContact CB-NH1 3.26Å; K94-R107 PolarHBondContact O-NH1 2.82Å; K94-W111 HydrophobicContact CG-CH2 4.01Å; K94-W111 HydrophobicContact CG-CZ2 4.45Å
95A96.3Very high92.3Very high34 Ų3445.2 Ų45.228%0.28123%0.233SC..Hα-helixtrans-89-48.7-178.400000111.4Y61 P91 E92 M93Y61-A95 WeakPolarHBondContact CE2-O 3.31Å; Y61-A95 PolarHBondContact OH-O 2.93Å; Y61-A95 VanDerWaalsContact OH-O 3.08Å; P91-A95 PolarHBondContact O-N 3.08Å; E92-A95 PolarHBondContact O-N 3.35Å; M93-A95 VanDerWaalsContact C-N 3.32Å; M93-A95 PolarHBondContact O-N 3.34Å
96Y98.3Very high91.7Very high78 Ų7846 Ų4631%0.30624%0.239SC..Hα-helixtrans-102-16.8-169.9-55.6-42000113.8Y61 T63 I64 E92 L139 Y142Y61-Y96 HydrophobicContact CE2-CD1 4.39Å; T63-Y96 WeakPolarHBondContact CB-O 3.37Å; I64-Y96 WeakPolarHBondContact CB-O 3.42Å; I64-Y96 WeakPolarHBondContact CG1-O 3.44Å; I64-Y96 PolarHBondContact N-O 3.14Å; E92-Y96 HydrophobicContact CB-CD2 4.23Å; E92-Y96 PolarHBondContact O-N 3.43Å; Y96-L139 HydrophobicContact CD2-CD2 4.29Å; Y96-Y142 HydrophobicContact CD1-CD1 4.29Å; Y96-Y142 AromaticContact CD1-CE1 3.4Å; Y96-Y142 HydrophobicContact CD1-CE1 3.4Å; Y96-Y142 VanDerWaalsContact CD1-CE1 3.4Å; Y96-Y142 AromaticContact CD1-CZ 3.97Å; Y96-Y142 HydrophobicContact CD2-CD1 4.17Å; Y96-Y142 HydrophobicContact CD2-CE1 4.05Å; Y96-Y142 AromaticContact CE1-CE1 3.99Å; Y96-Y142 HydrophobicContact CE1-CE1 3.99Å; Y96-Y142 AromaticContact CG-CD1 3.87Å; Y96-Y142 HydrophobicContact CG-CD1 3.87Å; Y96-Y142 AromaticContact CG-CE1 3.44Å; Y96-Y142 HydrophobicContact CG-CE1 3.44Å; Y96-Y142 VanDerWaalsContact CG-CE1 3.44Å
97W97.9Very high91.1Very high0 Ų049.6 Ų49.60%025%0.253CS..SBendtrans-128.149.9178.7-153.7-20.1000113I64 H65 M93 F110 W111 E114 Y134 F135 S138I64-W97 HydrophobicContact CB-CB 4.1Å; I64-W97 HydrophobicContact CB-CD2 3.86Å; I64-W97 HydrophobicContact CB-CE3 4.3Å; I64-W97 HydrophobicContact CB-CG 3.76Å; I64-W97 HydrophobicContact CD1-CB 4.4Å; I64-W97 HydrophobicContact CD1-CD2 4.39Å; I64-W97 HydrophobicContact CD1-CE3 4.05Å; I64-W97 HydrophobicContact CG2-CD2 3.48Å; I64-W97 VanDerWaalsContact CG2-CD2 3.48Å; I64-W97 HydrophobicContact CG2-CE3 3.77Å; I64-W97 HydrophobicContact CG2-CG 3.93Å; I64-W97 HydrophobicContact CG2-CH2 4.15Å; I64-W97 HydrophobicContact CG2-CZ2 3.91Å; I64-W97 HydrophobicContact CG2-CZ3 4.08Å; I64-W97 PolarHBondContact O-NE1 3.28Å; H65-W97 WeakPolarHBondContact O-CZ2 3.42Å; H65-W97 PolarHBondContact O-NE1 3.26Å; M93-W97 HydrophobicContact CE-CB 4.2Å; M93-W97 HydrophobicContact CE-CD2 3.94Å; M93-W97 HydrophobicContact CE-CE3 3.65Å; M93-W97 HydrophobicContact CE-CG 4.19Å; M93-W97 HydrophobicContact CE-CZ3 4.35Å; M93-W97 CarbonylContact O-C 3.39Å; M93-W97 VanDerWaalsContact O-CA 3.26Å; M93-W97 WeakPolarHBondContact O-CA 3.3Å; M93-W97 WeakPolarHBondContact O-CB 3.32Å; M93-W97 PolarHBondContact O-N 3.45Å; M93-W97 HydrophobicContact SD-CB 4.46Å; M93-W97 HydrophobicContact SD-CE3 3.85Å; W97-F110 AromaticContact CD1-CE1 3.44Å; W97-F110 VanDerWaalsContact CD1-CE1 3.44Å; W97-F110 AromaticContact NE1-CE1 3.44Å; W97-F110 AromaticContact NE1-CZ 3.8Å; W97-W111 PolarHBondContact O-NE1 2.88Å; W97-E114 HydrophobicContact CZ2-CB 3.96Å; W97-E114 HydrophobicContact CZ2-CG 3.83Å; W97-Y134 HydrophobicContact CH2-CE1 4.05Å; W97-F135 AromaticContact CE3-CD1 3.99Å; W97-F135 HydrophobicContact CE3-CD1 3.99Å; W97-F135 HydrophobicContact CE3-CE1 4.42Å; W97-F135 AromaticContact CH2-CD1 3.94Å; W97-F135 HydrophobicContact CH2-CD1 3.94Å; W97-F135 AromaticContact CH2-CE1 3.95Å; W97-F135 HydrophobicContact CH2-CE1 3.95Å; W97-F135 HydrophobicContact CZ2-CE1 4.4Å; W97-F135 AromaticContact CZ3-CD1 3.5Å; W97-F135 HydrophobicContact CZ3-CD1 3.5Å; W97-F135 VanDerWaalsContact CZ3-CD1 3.5Å; W97-F135 AromaticContact CZ3-CE1 3.94Å; W97-F135 HydrophobicContact CZ3-CE1 3.94Å; W97-S138 VanDerWaalsContact CZ3-CB 3.44Å
98P95.2Very high90.8Very high3 Ų345.4 Ų45.42%0.01924%0.237CC..  trans-67.2164177.731.7-36.7000112.8D54 P59 T63 V100 F110D54-P98 HydrophobicContact CB-CB 4.12Å; P59-P98 HydrophobicContact CG-CG 4.17Å; T63-P98 HydrophobicContact CG2-CG 3.73Å; P98-V100 HydrophobicContact CB-CG1 4.11Å; P98-V100 HydrophobicContact CG-CG1 3.81Å; P98-V100 PolarHBondContact O-N 2.89Å; P98-F110 WeakPolarHBondContact O-CE1 2.98Å
99D91.6Very high90.6Very high0 Ų047.5 Ų47.50%024%0.238CC..  trans-9081.1173.5178.68.5000109.8D54 I101 H102 S103 F104 F110D54-D99 PolarHBondContact OD2-N 2.99Å; D54-D99 VanDerWaalsContact OD2-N 3.09Å; D99-I101 VanDerWaalsContact C-N 3.33Å; D99-I101 PolarHBondContact OD1-N 3.48Å; D99-H102 PolarHBondContact OD1-N 2.89Å; D99-H102 IonicContact OD1-ND1 3.73Å; D99-S103 VanDerWaalsContact CG-N 3.3Å; D99-S103 WeakPolarHBondContact O-CA 3.32Å; D99-S103 PolarHBondContact O-N 2.8Å; D99-S103 PolarHBondContact O-OG 3.39Å; D99-S103 VanDerWaalsContact O-OG 3.06Å; D99-S103 PolarHBondContact OD1-N 2.94Å; D99-S103 VanDerWaalsContact OD1-N 3.07Å; D99-S103 PolarHBondContact OD2-N 2.88Å; D99-F104 WeakPolarHBondContact OD2-CD2 3.41Å; D99-F104 PolarHBondContact OD2-N 2.93Å; D99-F110 HydrophobicContact CB-CB 3.89Å; D99-F110 HydrophobicContact CB-CD1 4.13Å; D99-F110 HydrophobicContact CB-CG 4.26Å
100V90Very high90.4Very high0 Ų046.7 Ų46.70%023%0.233CC..  trans-93.512.3178.8-63.80000113H42 P44 V47 C48 D54 C55 P59 P98H42-V100 WeakPolarHBondContact CE1-CG2 3.26Å; H42-V100 WeakPolarHBondContact NE2-CG2 3.38Å; P44-V100 HydrophobicContact CB-CB 4.1Å; P44-V100 HydrophobicContact CB-CG1 3.92Å; P44-V100 HydrophobicContact CB-CG2 4.29Å; P44-V100 HydrophobicContact CG-CG1 4.18Å; P44-V100 HydrophobicContact CG-CG2 4.29Å; V47-V100 CarbonylContact C-O 3.08Å; V47-V100 HydrophobicContact CG2-CG2 3.89Å; C48-V100 WeakPolarHBondContact CA-O 3.39Å; C48-V100 PolarHBondContact N-O 3.33Å; D54-V100 HydrophobicContact CB-CG1 4.2Å; C55-V100 VanDerWaalsContact SG-C 3.57Å; C55-V100 VanDerWaalsContact SG-CA 3.53Å; C55-V100 PolarHBondContact SG-O 3.02Å; P59-V100 HydrophobicContact CG-CG1 4.45Å; P98-V100 HydrophobicContact CB-CG1 4.11Å; P98-V100 HydrophobicContact CG-CG1 3.81Å; P98-V100 PolarHBondContact O-N 2.89Å
101I83.4Confident90.4Very high10 Ų1045.5 Ų45.55%0.05123%0.227CC..SBendtrans-113.2-46.5-179.3-37.7-177.9000111.5H65 D99 F110 R236H65-I101 VanDerWaalsContact CE1-CD1 3.47Å; H65-I101 WeakPolarHBondContact CE1-CD1 3.24Å; H65-I101 WeakPolarHBondContact NE2-CD1 3.26Å; D99-I101 VanDerWaalsContact C-N 3.33Å; D99-I101 PolarHBondContact OD1-N 3.48Å; I101-F110 HydrophobicContact CD1-CE2 4.29Å; I101-F110 HydrophobicContact CD1-CZ 4.24Å; I101-R236 VanDerWaalsContact CG2-CZ 3.45Å; I101-R236 PolarHBondContact O-NH1 3.36Å; I101-R236 PolarHBondContact O-NH2 2.88Å
102H78.8Confident90.4Very high64 Ų6445.2 Ų45.230%0.29622%0.216SC..SBendtrans-100.2-28.8174.3-54.688.1000111.6D99 F104 R236D99-H102 PolarHBondContact OD1-N 2.89Å; D99-H102 IonicContact OD1-ND1 3.73Å; H102-F104 VanDerWaalsContact C-N 3.28Å; H102-F104 HydrophobicContact CB-CD1 4.35Å; H102-F104 HydrophobicContact CB-CD2 3.45Å; H102-F104 VanDerWaalsContact CB-CD2 3.45Å; H102-F104 HydrophobicContact CB-CE1 4.18Å; H102-F104 HydrophobicContact CB-CE2 3.24Å; H102-F104 HydrophobicContact CB-CG 4.02Å; H102-F104 HydrophobicContact CB-CZ 3.64Å; H102-F104 AromaticContact CD2-CE2 3.63Å; H102-F104 AromaticContact CD2-CZ 3.71Å; H102-F104 AromaticContact CG-CE2 3.38Å; H102-F104 AromaticContact CG-CZ 3.83Å; H102-F104 PolarHBondContact O-N 2.76Å; H102-R236 PolarHBondContact CD2-NH1 3.07Å; H102-R236 PolarHBondContact CE1-NH1 3.09Å; H102-R236 VanDerWaalsContact CG-NH1 3.3Å; H102-R236 PolarHBondContact ND1-NH1 3.27Å; H102-R236 PolarHBondContact NE2-NH1 3.49Å
103S74.1Confident90.3Very high0 Ų046.3 Ų46.30%022%0.221CC..  trans49.551.3-173.7-58.10000111.4Q52 N53 C55 D99Q52-S103 PolarHBondContact NE2-O 2.91Å; Q52-S103 VanDerWaalsContact O-CB 3.3Å; Q52-S103 WeakPolarHBondContact O-CB 3.42Å; N53-S103 PolarHBondContact ND2-O 2.65Å; C55-S103 VanDerWaalsContact CB-OG 3.28Å; C55-S103 WeakPolarHBondContact CB-OG 3.44Å; C55-S103 PolarHBondContact SG-OG 3.01Å; D99-S103 VanDerWaalsContact CG-N 3.3Å; D99-S103 WeakPolarHBondContact O-CA 3.32Å; D99-S103 PolarHBondContact O-N 2.8Å; D99-S103 PolarHBondContact O-OG 3.39Å; D99-S103 VanDerWaalsContact O-OG 3.06Å; D99-S103 PolarHBondContact OD1-N 2.94Å; D99-S103 VanDerWaalsContact OD1-N 3.07Å; D99-S103 PolarHBondContact OD2-N 2.88Å
104F77.2Confident90.3Very high58 Ų5846.3 Ų46.325%0.25422%0.221SC..  trans-66.9146.9172.1-67.1-57.9000110.2D99 H102 N106 R109D99-F104 WeakPolarHBondContact OD2-CD2 3.41Å; D99-F104 PolarHBondContact OD2-N 2.93Å; H102-F104 VanDerWaalsContact C-N 3.28Å; H102-F104 HydrophobicContact CB-CD1 4.35Å; H102-F104 HydrophobicContact CB-CD2 3.45Å; H102-F104 VanDerWaalsContact CB-CD2 3.45Å; H102-F104 HydrophobicContact CB-CE1 4.18Å; H102-F104 HydrophobicContact CB-CE2 3.24Å; H102-F104 HydrophobicContact CB-CG 4.02Å; H102-F104 HydrophobicContact CB-CZ 3.64Å; H102-F104 AromaticContact CD2-CE2 3.63Å; H102-F104 AromaticContact CD2-CZ 3.71Å; H102-F104 AromaticContact CG-CE2 3.38Å; H102-F104 AromaticContact CG-CZ 3.83Å; H102-F104 PolarHBondContact O-N 2.76Å; F104-N106 PolarHBondContact O-N 3.1Å; F104-N106 VanDerWaalsContact O-N 3.14Å; F104-R109 HydrophobicContact CD2-CB 4.09Å
105P76.6Confident90.5Very high113 Ų11341 Ų4173%0.73420%0.198SC*.SBendtrans-58-28.9172.7-2533.6000113
106N85.8Confident90.6Very high86 Ų8642.3 Ų42.346%0.4620%0.198SC..  trans-104.896175.5-178.28.8000110.8F104 S108 R109F104-N106 PolarHBondContact O-N 3.1Å; F104-N106 VanDerWaalsContact O-N 3.14Å; N106-S108 VanDerWaalsContact CG-OG 3.23Å; N106-S108 PolarHBondContact ND2-OG 2.84Å; N106-S108 PolarHBondContact O-N 2.71Å; N106-S108 VanDerWaalsContact O-N 3.13Å; N106-S108 WeakPolarHBondContact OD1-CB 3.23Å; N106-S108 PolarHBondContact OD1-N 3.22Å; N106-S108 PolarHBondContact OD1-OG 3.21Å; N106-R109 HydrophobicContact CB-CG 4.35Å; N106-R109 WeakPolarHBondContact O-CB 3.24Å; N106-R109 WeakPolarHBondContact O-CG 3.21Å; N106-R109 PolarHBondContact O-N 2.98Å; N106-R109 VanDerWaalsContact O-N 3.1Å
107R86.1Confident90.5Very high77 Ų7740.1 Ų40.129%0.29119%0.19SC..THydrogen-bonded Turntrans-55.1-29.3178.7-60.2-176.6-166.81705.5114D54 K94 R109 F110 W111D54-R107 IonicContact OD1-CZ 2.65Å; D54-R107 IonicContact OD1-NE 2.81Å; D54-R107 PolarHBondContact OD1-NE 3.08Å; D54-R107 IonicContact OD1-NH2 3.52Å; D54-R107 PolarHBondContact OD1-NH2 3.41Å; D54-R107 VanDerWaalsContact OD2-CD 3.3Å; D54-R107 WeakPolarHBondContact OD2-CD 3.23Å; D54-R107 IonicContact OD2-CZ 3.84Å; D54-R107 IonicContact OD2-NE 2.7Å; D54-R107 PolarHBondContact OD2-NE 3.21Å; K94-R107 VanDerWaalsContact CB-NH1 3.26Å; K94-R107 PolarHBondContact O-NH1 2.82Å; R107-R109 PolarHBondContact O-N 2.99Å; R107-F110 WeakPolarHBondContact O-CB 3.38Å; R107-F110 PolarHBondContact O-N 2.77Å; R107-W111 HydrophobicContact CB-CH2 3.99Å; R107-W111 HydrophobicContact CB-CZ2 3.94Å; R107-W111 HydrophobicContact CB-CZ3 4.48Å
108S92.1Very high90.5Very high19 Ų1940.4 Ų40.413%0.13319%0.191CC..Hα-helixtrans-63.8-15.7-179.667.80000113.5N106 F110 K112N106-S108 VanDerWaalsContact CG-OG 3.23Å; N106-S108 PolarHBondContact ND2-OG 2.84Å; N106-S108 PolarHBondContact O-N 2.71Å; N106-S108 VanDerWaalsContact O-N 3.13Å; N106-S108 WeakPolarHBondContact OD1-CB 3.23Å; N106-S108 PolarHBondContact OD1-N 3.22Å; N106-S108 PolarHBondContact OD1-OG 3.21Å; S108-F110 VanDerWaalsContact C-N 3.33Å; S108-K112 WeakPolarHBondContact O-CB 3.28Å; S108-K112 PolarHBondContact O-N 3.21Å
109R93.7Very high90.7Very high138 Ų13840.2 Ų40.252%0.52119%0.19SC..Hα-helixtrans-64.5-38.1170.7-66.5-173.369.4175.70.6112.4F104 N106 R107 H113F104-R109 HydrophobicContact CD2-CB 4.09Å; N106-R109 HydrophobicContact CB-CG 4.35Å; N106-R109 WeakPolarHBondContact O-CB 3.24Å; N106-R109 WeakPolarHBondContact O-CG 3.21Å; N106-R109 PolarHBondContact O-N 2.98Å; N106-R109 VanDerWaalsContact O-N 3.1Å; R107-R109 PolarHBondContact O-N 2.99Å; R109-H113 PolarHBondContact O-N 3.1Å; R109-H113 VanDerWaalsContact O-N 3.08Å
110F94.6Very high91Very high3 Ų340.6 Ų40.61%0.01319%0.193CC..Hα-helixtrans-69.9-48177.6179.1-136.5000110.5H65 W97 P98 D99 I101 R107 S108 K112 H113 E114H65-F110 AromaticContact CD2-CE2 3.98Å; H65-F110 AromaticContact CD2-CZ 3.68Å; H65-F110 WeakPolarHBondContact O-CZ 3.16Å; W97-F110 AromaticContact CD1-CE1 3.44Å; W97-F110 VanDerWaalsContact CD1-CE1 3.44Å; W97-F110 AromaticContact NE1-CE1 3.44Å; W97-F110 AromaticContact NE1-CZ 3.8Å; P98-F110 WeakPolarHBondContact O-CE1 2.98Å; D99-F110 HydrophobicContact CB-CB 3.89Å; D99-F110 HydrophobicContact CB-CD1 4.13Å; D99-F110 HydrophobicContact CB-CG 4.26Å; I101-F110 HydrophobicContact CD1-CE2 4.29Å; I101-F110 HydrophobicContact CD1-CZ 4.24Å; R107-F110 WeakPolarHBondContact O-CB 3.38Å; R107-F110 PolarHBondContact O-N 2.77Å; S108-F110 VanDerWaalsContact C-N 3.33Å; F110-K112 VanDerWaalsContact C-N 3.27Å; F110-K112 PolarHBondContact O-N 3.03Å; F110-H113 WeakPolarHBondContact O-CA 3.48Å; F110-H113 VanDerWaalsContact O-CB 3.3Å; F110-H113 WeakPolarHBondContact O-CB 3.06Å; F110-H113 PolarHBondContact O-N 3.42Å; F110-E114 HydrophobicContact CD2-CG 4.19Å; F110-E114 HydrophobicContact CE2-CG 3.83Å; F110-E114 WeakPolarHBondContact CE2-OE1 3.23Å; F110-E114 HydrophobicContact CZ-CG 4.12Å; F110-E114 PolarHBondContact O-N 3.19Å
111W97.8Very high91.4Very high6 Ų640.6 Ų40.62%0.02319%0.193CC..Hα-helixtrans-62.2-35.4175.9-49.8-34.6000112.8F81 L83 I86 L90 M93 K94 W97 R107 H113 E114 W115 F135F81-W111 HydrophobicContact CE2-CB 4.26Å; F81-W111 HydrophobicContact CZ-CB 4.03Å; L83-W111 HydrophobicContact CD1-CE3 4Å; L83-W111 HydrophobicContact CD1-CZ3 4.07Å; I86-W111 HydrophobicContact CD1-CE3 4.47Å; L90-W111 HydrophobicContact CD2-CE3 4.4Å; L90-W111 HydrophobicContact CD2-CH2 4.28Å; L90-W111 HydrophobicContact CD2-CZ3 3.69Å; M93-W111 HydrophobicContact CB-CH2 4.01Å; M93-W111 HydrophobicContact CB-CZ2 3.7Å; M93-W111 HydrophobicContact CE-CB 4.3Å; M93-W111 VanDerWaalsContact CE-CD1 3.46Å; M93-W111 HydrophobicContact CE-CD2 3.85Å; M93-W111 HydrophobicContact CE-CG 3.62Å; K94-W111 HydrophobicContact CG-CH2 4.01Å; K94-W111 HydrophobicContact CG-CZ2 4.45Å; W97-W111 PolarHBondContact O-NE1 2.88Å; R107-W111 HydrophobicContact CB-CH2 3.99Å; R107-W111 HydrophobicContact CB-CZ2 3.94Å; R107-W111 HydrophobicContact CB-CZ3 4.48Å; W111-H113 VanDerWaalsContact C-N 3.34Å; W111-E114 PolarHBondContact O-N 2.8Å; W111-W115 WeakPolarHBondContact O-CB 3.02Å; W111-W115 PolarHBondContact O-N 2.81Å; W111-F135 HydrophobicContact CB-CE1 4.14Å; W111-F135 HydrophobicContact CB-CZ 4.1Å; W111-F135 WeakPolarHBondContact O-CZ 3.33Å
112K97.9Very high92.1Very high87 Ų8740.1 Ų40.138%0.37819%0.19SC..Hα-helixtrans-58-46.7170.5171.1179.1170.576.40111.7F81 S108 F110 W115 E116F81-K112 HydrophobicContact CB-CB 3.87Å; F81-K112 HydrophobicContact CB-CG 3.85Å; F81-K112 HydrophobicContact CD1-CB 3.65Å; F81-K112 HydrophobicContact CD1-CG 4.37Å; F81-K112 HydrophobicContact CE1-CB 4.42Å; F81-K112 HydrophobicContact CG-CB 3.9Å; F81-K112 HydrophobicContact CG-CG 4.42Å; S108-K112 WeakPolarHBondContact O-CB 3.28Å; S108-K112 PolarHBondContact O-N 3.21Å; F110-K112 VanDerWaalsContact C-N 3.27Å; F110-K112 PolarHBondContact O-N 3.03Å; K112-W115 PolarHBondContact O-N 2.03Å; K112-E116 WeakPolarHBondContact CE-OE2 3.22Å; K112-E116 HydrophobicContact CG-CG 4.39Å; K112-E116 VanDerWaalsContact NZ-CD 3.31Å; K112-E116 IonicContact NZ-OE1 2.66Å; K112-E116 PolarHBondContact NZ-OE1 2.79Å; K112-E116 IonicContact NZ-OE2 3.18Å; K112-E116 PolarHBondContact NZ-OE2 2.9Å; K112-E116 WeakPolarHBondContact O-CB 3.31Å; K112-E116 WeakPolarHBondContact O-CG 3.3Å; K112-E116 PolarHBondContact O-N 2.97Å
113H96Very high93Very high85 Ų8537.9 Ų37.939%0.39418%0.183SC..Hα-helixtrans-59.8-50.7177.3179.678.8000111R109 F110 W111 W115 E116 K117R109-H113 PolarHBondContact O-N 3.1Å; R109-H113 VanDerWaalsContact O-N 3.08Å; F110-H113 WeakPolarHBondContact O-CA 3.48Å; F110-H113 VanDerWaalsContact O-CB 3.3Å; F110-H113 WeakPolarHBondContact O-CB 3.06Å; F110-H113 PolarHBondContact O-N 3.42Å; W111-H113 VanDerWaalsContact C-N 3.34Å; H113-W115 VanDerWaalsContact C-N 3.33Å; H113-W115 PolarHBondContact O-N 2.77Å; H113-E116 PolarHBondContact O-N 2.96Å; H113-K117 WeakPolarHBondContact O-CB 3.29Å; H113-K117 PolarHBondContact O-N 3.39Å
114E98.1Very high94.1Very high0 Ų042 Ų420%020%0.202CC..Hα-helixtrans-60.1-40.7179.5-68.2-57.6124.300112.6H65 W68 W97 F110 W111 H118 G119H65-E114 IonicContact CD2-OE1 2.77Å; W68-E114 PolarHBondContact NE1-OE2 2.9Å; W97-E114 HydrophobicContact CZ2-CB 3.96Å; W97-E114 HydrophobicContact CZ2-CG 3.83Å; F110-E114 HydrophobicContact CD2-CG 4.19Å; F110-E114 HydrophobicContact CE2-CG 3.83Å; F110-E114 WeakPolarHBondContact CE2-OE1 3.23Å; F110-E114 HydrophobicContact CZ-CG 4.12Å; F110-E114 PolarHBondContact O-N 3.19Å; W111-E114 PolarHBondContact O-N 2.8Å; E114-H118 WeakPolarHBondContact O-CA 3.21Å; E114-H118 WeakPolarHBondContact O-CB 3.01Å; E114-H118 PolarHBondContact O-N 3.5Å; E114-H118 IonicContact OE2-CD2 3.93Å; E114-H118 PolarHBondContact OE2-CD2 3.02Å; E114-G119 PolarHBondContact O-N 3.42Å
115W98.7Very high95.1Very high0 Ų039.3 Ų39.30%019%0.19CC..Iπ-helixtrans-65.3-54.9175.2172.5-103.5000112W79 F81 W111 K112 H113 K117 G119 T120 A123 Q131 Y134 F135W79-W115 HydrophobicContact CD2-CH2 4.35Å; W79-W115 AromaticContact CD2-CZ2 3.58Å; W79-W115 HydrophobicContact CD2-CZ2 3.58Å; W79-W115 AromaticContact CE2-CZ2 3.52Å; W79-W115 HydrophobicContact CE3-CH2 4.35Å; W79-W115 AromaticContact CE3-CZ2 3.88Å; W79-W115 HydrophobicContact CE3-CZ2 3.88Å; W79-W115 HydrophobicContact CG-CZ2 4.06Å; W79-W115 AromaticContact CH2-CH2 3.91Å; W79-W115 HydrophobicContact CH2-CH2 3.91Å; W79-W115 HydrophobicContact CH2-CZ2 4.11Å; W79-W115 AromaticContact CZ2-CH2 3.88Å; W79-W115 HydrophobicContact CZ2-CH2 3.88Å; W79-W115 AromaticContact CZ2-CZ2 3.81Å; W79-W115 HydrophobicContact CZ2-CZ2 3.81Å; W79-W115 HydrophobicContact CZ3-CH2 4.14Å; W79-W115 HydrophobicContact CZ3-CZ2 4.13Å; W79-W115 AromaticContact NE1-CZ2 3.89Å; W79-W115 PolarHBondContact O-NE1 2.83Å; F81-W115 VanDerWaalsContact CA-CD1 3.44Å; F81-W115 HydrophobicContact CB-CB 4.22Å; F81-W115 HydrophobicContact CB-CG 4.19Å; F81-W115 HydrophobicContact CD2-CB 3.76Å; F81-W115 HydrophobicContact CD2-CG 4.02Å; F81-W115 HydrophobicContact CG-CB 4.39Å; W111-W115 WeakPolarHBondContact O-CB 3.02Å; W111-W115 PolarHBondContact O-N 2.81Å; K112-W115 PolarHBondContact O-N 2.03Å; H113-W115 VanDerWaalsContact C-N 3.33Å; H113-W115 PolarHBondContact O-N 2.77Å; W115-K117 VanDerWaalsContact C-N 3.33Å; W115-K117 PolarHBondContact O-N 2.74Å; W115-G119 CarbonylContact O-C 3.45Å; W115-G119 WeakPolarHBondContact O-CA 3.41Å; W115-G119 PolarHBondContact O-N 2.89Å; W115-T120 HydrophobicContact CZ2-CG2 4.24Å; W115-T120 PolarHBondContact O-N 3.24Å; W115-A123 HydrophobicContact CH2-CB 4.44Å; W115-Q131 HydrophobicContact CD2-CB 4.48Å; W115-Q131 HydrophobicContact CD2-CG 3.77Å; W115-Q131 HydrophobicContact CE3-CB 4.27Å; W115-Q131 HydrophobicContact CE3-CG 3.96Å; W115-Q131 HydrophobicContact CH2-CB 4.42Å; W115-Q131 HydrophobicContact CH2-CG 3.72Å; W115-Q131 HydrophobicContact CZ2-CG 3.52Å; W115-Q131 HydrophobicContact CZ3-CB 4.25Å; W115-Q131 HydrophobicContact CZ3-CG 3.94Å; W115-Y134 AromaticContact CE3-CD1 3.9Å; W115-Y134 HydrophobicContact CE3-CD1 3.9Å; W115-Y134 HydrophobicContact CE3-CG 4.24Å; W115-Y134 HydrophobicContact CZ3-CD1 4.26Å; W115-Y134 HydrophobicContact CZ3-CG 4.14Å; W115-F135 HydrophobicContact CB-CE2 4Å; W115-F135 HydrophobicContact CB-CZ 3.88Å; W115-F135 HydrophobicContact CE3-CE2 4.19Å
116E98.3Very high96.2Very high62 Ų6239.6 Ų39.629%0.2919%0.185SC..Iπ-helixtrans-67.3-36.8-172.3-69.1177.5174.600111.3G74 F81 K112 H113 T120G74-E116 WeakPolarHBondContact CA-O 3.43Å; F81-E116 HydrophobicContact CB-CG 4.42Å; F81-E116 PolarHBondContact N-OE1 2.83Å; F81-E116 VanDerWaalsContact N-OE1 3.17Å; K112-E116 WeakPolarHBondContact CE-OE2 3.22Å; K112-E116 HydrophobicContact CG-CG 4.39Å; K112-E116 VanDerWaalsContact NZ-CD 3.31Å; K112-E116 IonicContact NZ-OE1 2.66Å; K112-E116 PolarHBondContact NZ-OE1 2.79Å; K112-E116 IonicContact NZ-OE2 3.18Å; K112-E116 PolarHBondContact NZ-OE2 2.9Å; K112-E116 WeakPolarHBondContact O-CB 3.31Å; K112-E116 WeakPolarHBondContact O-CG 3.3Å; K112-E116 PolarHBondContact O-N 2.97Å; H113-E116 PolarHBondContact O-N 2.96Å; E116-T120 PolarHBondContact O-OG1 2.84Å
117K96.7Very high96.8Very high32 Ų3237.5 Ų37.514%0.13918%0.18CC..Iπ-helixtrans-79.9-46179-166.9171.2171.1173.90112.4E73 G74 H113 W115 E234E73-K117 CarbonylContact C-O 3.49Å; E73-K117 WeakPolarHBondContact CA-O 3.44Å; E73-K117 HydrophobicContact CB-CG 4.05Å; E73-K117 HydrophobicContact CG-CG 4.31Å; E73-K117 WeakPolarHBondContact OE1-CE 3.17Å; E73-K117 IonicContact OE1-NZ 2.86Å; E73-K117 PolarHBondContact OE1-NZ 3.1Å; E73-K117 WeakPolarHBondContact OE2-CE 3.45Å; E73-K117 IonicContact OE2-NZ 2.94Å; G74-K117 PolarHBondContact N-O 3.29Å; H113-K117 WeakPolarHBondContact O-CB 3.29Å; H113-K117 PolarHBondContact O-N 3.39Å; W115-K117 VanDerWaalsContact C-N 3.33Å; W115-K117 PolarHBondContact O-N 2.74Å; K117-E234 IonicContact NZ-OE1 3.19Å; K117-E234 PolarHBondContact NZ-OE1 2.99Å; K117-E234 IonicContact NZ-OE2 3.87Å; K117-E234 PolarHBondContact NZ-OE2 2.84Å
118H98.3Very high97.4Very high5 Ų533.8 Ų33.82%0.02317%0.166CC..Iπ-helixtrans-115.5-45.6-171-55-68.2000113.6W68 E73 E114 T120 C121 A122W68-H118 AromaticContact CD1-CD2 3.28Å; W68-H118 AromaticContact CD1-CE1 3.83Å; W68-H118 AromaticContact CD1-CG 3.27Å; W68-H118 AromaticContact CD1-ND1 3.64Å; W68-H118 AromaticContact CD1-NE2 3.69Å; W68-H118 AromaticContact CE2-NE2 3.84Å; W68-H118 HydrophobicContact CG-CB 4.46Å; W68-H118 AromaticContact CG-CE1 3.82Å; W68-H118 AromaticContact CG-CG 3.83Å; W68-H118 AromaticContact CG-ND1 3.7Å; W68-H118 AromaticContact NE1-CD2 3.32Å; W68-H118 PolarHBondContact NE1-CD2 3.36Å; W68-H118 VanDerWaalsContact NE1-CD2 3.32Å; W68-H118 AromaticContact NE1-CG 3.83Å; W68-H118 AromaticContact NE1-NE2 3.53Å; E73-H118 IonicContact OE1-CE1 3.67Å; E73-H118 PolarHBondContact OE1-CE1 2.84Å; E73-H118 IonicContact OE1-ND1 2.92Å; E114-H118 WeakPolarHBondContact O-CA 3.21Å; E114-H118 WeakPolarHBondContact O-CB 3.01Å; E114-H118 PolarHBondContact O-N 3.5Å; E114-H118 IonicContact OE2-CD2 3.93Å; E114-H118 PolarHBondContact OE2-CD2 3.02Å; H118-T120 VanDerWaalsContact C-N 3.34Å; H118-T120 PolarHBondContact O-N 3.36Å; H118-C121 WeakPolarHBondContact O-CB 3.21Å; H118-C121 PolarHBondContact O-N 3.46Å; H118-A122 PolarHBondContact O-N 3.09Å
119G98.5Very high97.7Very high0 Ų035.9 Ų35.90%018%0.176CC..Iπ-helixtrans-58.5-40.2-177.800000113.9E114 W115 C121 A122 A123E114-G119 PolarHBondContact O-N 3.42Å; W115-G119 CarbonylContact O-C 3.45Å; W115-G119 WeakPolarHBondContact O-CA 3.41Å; W115-G119 PolarHBondContact O-N 2.89Å; G119-C121 PolarHBondContact O-N 3.31Å; G119-A122 PolarHBondContact O-N 3.09Å; G119-A123 WeakPolarHBondContact O-CB 3.26Å; G119-A123 PolarHBondContact O-N 3.27Å
120T98.6Very high97.9Very high8 Ų830.7 Ų30.75%0.04916%0.161CC..Hα-helixtrans-60.3-29.1176.858.80000113.2C75 N76 W115 E116 H118C75-T120 PolarHBondContact N-OG1 3.02Å; N76-T120 HydrophobicContact CB-CG2 4.19Å; W115-T120 HydrophobicContact CZ2-CG2 4.24Å; W115-T120 PolarHBondContact O-N 3.24Å; E116-T120 PolarHBondContact O-OG1 2.84Å; H118-T120 VanDerWaalsContact C-N 3.34Å; H118-T120 PolarHBondContact O-N 3.36Å
121C98.2Very high98.1Very high0 Ų030.6 Ų30.60%016%0.16CC..Hα-helixtrans-83.1-41.6175-60.80000112.1W34 P69 S72 E73 C75 H118 G119 A123 Q124W34-C121 PolarHBondContact NE1-O 2.9Å; P69-C121 HydrophobicContact CB-CB 4.16Å; P69-C121 HydrophobicContact CG-CB 3.76Å; S72-C121 VanDerWaalsContact C-SG 3.6Å; S72-C121 PolarHBondContact O-SG 2.98Å; S72-C121 WeakPolarHBondContact OG-CB 3.35Å; E73-C121 WeakPolarHBondContact CA-SG 3.43Å; C75-C121 HydrophobicContact CB-CB 3.87Å; C75-C121 WeakPolarHBondContact CB-SG 3.34Å; C75-C121 PolarHBondContact N-SG 2.8Å; C75-C121 WeakPolarHBondContact SG-CA 3.15Å; C75-C121 WeakPolarHBondContact SG-CB 3.18Å; C75-C121 CovalentContact SG-SG 2.02Å; C75-C121 PolarHBondContact SG-SG 3.43Å; H118-C121 WeakPolarHBondContact O-CB 3.21Å; H118-C121 PolarHBondContact O-N 3.46Å; G119-C121 PolarHBondContact O-N 3.31Å; C121-A123 PolarHBondContact O-N 2.65Å; C121-Q124 WeakPolarHBondContact O-CG 3.45Å; C121-Q124 PolarHBondContact O-N 3.06Å
122A98.4Very high98.1Very high0 Ų034.8 Ų34.80%018%0.179CC..Hα-helixtrans-60.9-3017800000111.9L37 P69 H118 G119 Q124 V125 L128 Y134L37-A122 HydrophobicContact CD2-CB 4.31Å; P69-A122 HydrophobicContact CG-CB 3.91Å; H118-A122 PolarHBondContact O-N 3.09Å; G119-A122 PolarHBondContact O-N 3.09Å; A122-Q124 PolarHBondContact O-N 3.31Å; A122-V125 WeakPolarHBondContact O-CB 3.48Å; A122-V125 PolarHBondContact O-N 3.19Å; A122-L128 HydrophobicContact CB-CB 4.4Å; A122-L128 HydrophobicContact CB-CD1 3.98Å; A122-Y134 HydrophobicContact CB-CD2 3.79Å; A122-Y134 HydrophobicContact CB-CE2 3.88Å
123A98.3Very high98.2Very high16 Ų1634.9 Ų34.913%0.13218%0.179CC..THydrogen-bonded Turntrans-62.6-4.517900000115.6W79 W115 G119 C121 V125 N129W79-A123 HydrophobicContact CH2-CB 3.83Å; W79-A123 HydrophobicContact CZ3-CB 3.48Å; W79-A123 VanDerWaalsContact CZ3-CB 3.48Å; W115-A123 HydrophobicContact CH2-CB 4.44Å; G119-A123 WeakPolarHBondContact O-CB 3.26Å; G119-A123 PolarHBondContact O-N 3.27Å; C121-A123 PolarHBondContact O-N 2.65Å; A123-V125 PolarHBondContact O-N 2.97Å; A123-N129 WeakPolarHBondContact O-CB 3.36Å
124Q97.2Very high98.3Very high87 Ų8730.8 Ų30.841%0.40716%0.16SC..THydrogen-bonded Turntrans-65.1-20.1164.5-67.1174.62200113.1H32 C121 A122H32-Q124 PolarHBondContact O-NE2 3.39Å; H32-Q124 PolarHBondContact O-OE1 3.21Å; C121-Q124 WeakPolarHBondContact O-CG 3.45Å; C121-Q124 PolarHBondContact O-N 3.06Å; A122-Q124 PolarHBondContact O-N 3.31Å
125V98.3Very high98.4Very high1 Ų130.8 Ų30.81%0.00616%0.16CC..SBendtrans-93.8129.9177.1174.50000108.9W34 A122 A123 A127 L128 N129 K205W34-V125 HydrophobicContact CH2-CG2 3.51Å; W34-V125 HydrophobicContact CZ2-CG2 3.71Å; A122-V125 WeakPolarHBondContact O-CB 3.48Å; A122-V125 PolarHBondContact O-N 3.19Å; A123-V125 PolarHBondContact O-N 2.97Å; V125-A127 HydrophobicContact CG1-CB 4.11Å; V125-A127 PolarHBondContact O-N 3.26Å; V125-L128 HydrophobicContact CB-CB 4.46Å; V125-L128 HydrophobicContact CB-CD1 4.39Å; V125-L128 HydrophobicContact CB-CG 4.45Å; V125-L128 HydrophobicContact CG1-CG 4.43Å; V125-L128 CarbonylContact O-C 3.55Å; V125-L128 WeakPolarHBondContact O-CA 3.05Å; V125-L128 PolarHBondContact O-N 3.03Å; V125-N129 PolarHBondContact O-N 2.79Å; V125-K205 HydrophobicContact CG2-CD 4.45Å; V125-K205 HydrophobicContact CG2-CG 3.6Å; V125-K205 WeakPolarHBondContact CG2-O 3.42Å
126D98.1Very high98.4Very high119 Ų11931.8 Ų31.864%0.63617%0.171SC*.G310 helixtrans-57.3-37.4-177.1-80.4-24.5000112.3L128 N129 K133D126-L128 PolarHBondContact O-N 3.02Å; D126-L128 VanDerWaalsContact O-N 3.16Å; D126-N129 PolarHBondContact O-N 3.29Å; D126-N129 PolarHBondContact O-ND2 3.48Å; D126-N129 PolarHBondContact O-OD1 3.48Å; D126-N129 VanDerWaalsContact O-OD1 3.06Å; D126-N129 PolarHBondContact OD1-ND2 3.24Å; D126-K133 WeakPolarHBondContact O-CE 3.37Å; D126-K133 PolarHBondContact O-NZ 2.87Å
127A98.2Very high98.4Very high42 Ų4230.4 Ų30.435%0.34716%0.163SC..G310 helixtrans-62.4-19.4175.800000114V125 K133V125-A127 HydrophobicContact CG1-CB 4.11Å; V125-A127 PolarHBondContact O-N 3.26Å; A127-K133 WeakPolarHBondContact O-CB 2.98Å; A127-K133 WeakPolarHBondContact O-CE 3.48Å
128L98.7Very high98.5Very high0 Ų028.9 Ų28.90%016%0.156CC..G310 helixtrans-121.76.7-173.1-54.4176.6000113.1L37 L67 A122 V125 D126 S130 R137L37-L128 HydrophobicContact CD1-CD1 3.6Å; L37-L128 HydrophobicContact CD2-CD1 4.46Å; L67-L128 HydrophobicContact CD2-CD1 4.27Å; L67-L128 HydrophobicContact CD2-CD2 4.28Å; A122-L128 HydrophobicContact CB-CB 4.4Å; A122-L128 HydrophobicContact CB-CD1 3.98Å; V125-L128 HydrophobicContact CB-CB 4.46Å; V125-L128 HydrophobicContact CB-CD1 4.39Å; V125-L128 HydrophobicContact CB-CG 4.45Å; V125-L128 HydrophobicContact CG1-CG 4.43Å; V125-L128 CarbonylContact O-C 3.55Å; V125-L128 WeakPolarHBondContact O-CA 3.05Å; V125-L128 PolarHBondContact O-N 3.03Å; D126-L128 PolarHBondContact O-N 3.02Å; D126-L128 VanDerWaalsContact O-N 3.16Å; L128-S130 PolarHBondContact O-N 3.1Å; L128-R137 HydrophobicContact CD2-CB 3.61Å; L128-R137 HydrophobicContact CD2-CG 3.71Å
129N98.4Very high98.5Very high62 Ų6228.7 Ų28.733%0.33216%0.155SC..SBendtrans-73.923.8-168.572.1-2.5000116.5W79 A123 V125 D126 K133W79-N129 WeakPolarHBondContact CH2-O 3.17Å; A123-N129 WeakPolarHBondContact O-CB 3.36Å; V125-N129 PolarHBondContact O-N 2.79Å; D126-N129 PolarHBondContact O-N 3.29Å; D126-N129 PolarHBondContact O-ND2 3.48Å; D126-N129 PolarHBondContact O-OD1 3.48Å; D126-N129 VanDerWaalsContact O-OD1 3.06Å; D126-N129 PolarHBondContact OD1-ND2 3.24Å; N129-K133 WeakPolarHBondContact OD1-CD 3.25Å; N129-K133 WeakPolarHBondContact OD1-CE 3.43Å; N129-K133 PolarHBondContact OD1-NZ 3.1Å
130S98.8Very high98.6Very high30 Ų3032.4 Ų32.421%0.2117%0.173CC..SBendtrans-155.1163.5168.875.10000110.4L128 K132 K133 Y134L128-S130 PolarHBondContact O-N 3.1Å; S130-K132 VanDerWaalsContact C-N 3.35Å; S130-K132 PolarHBondContact O-N 2.89Å; S130-K133 PolarHBondContact O-N 3.29Å; S130-K133 WeakPolarHBondContact OG-CB 3.44Å; S130-K133 VanDerWaalsContact OG-CG 3.29Å; S130-K133 WeakPolarHBondContact OG-CG 3.25Å; S130-K133 PolarHBondContact OG-N 2.99Å; S130-Y134 WeakPolarHBondContact O-CB 3.42Å; S130-Y134 PolarHBondContact O-N 2.7Å
131Q98.8Very high98.6Very high0 Ų032.2 Ų32.20%017%0.171CC..Hα-helixtrans-56.6-51.2178.1-55.2-164.652.200110.7P80 N82 E85 I86 W115 K133 Y134 F135P80-Q131 PolarHBondContact O-NE2 2.02Å; N82-Q131 VanDerWaalsContact N-NE2 3.19Å; E85-Q131 HydrophobicContact CB-CB 4.19Å; E85-Q131 PolarHBondContact OE1-NE2 3.32Å; E85-Q131 WeakPolarHBondContact OE2-CG 3.09Å; I86-Q131 HydrophobicContact CG2-CB 4.18Å; W115-Q131 HydrophobicContact CD2-CB 4.48Å; W115-Q131 HydrophobicContact CD2-CG 3.77Å; W115-Q131 HydrophobicContact CE3-CB 4.27Å; W115-Q131 HydrophobicContact CE3-CG 3.96Å; W115-Q131 HydrophobicContact CH2-CB 4.42Å; W115-Q131 HydrophobicContact CH2-CG 3.72Å; W115-Q131 HydrophobicContact CZ2-CG 3.52Å; W115-Q131 HydrophobicContact CZ3-CB 4.25Å; W115-Q131 HydrophobicContact CZ3-CG 3.94Å; Q131-K133 VanDerWaalsContact C-N 3.29Å; Q131-K133 PolarHBondContact O-N 3.18Å; Q131-Y134 PolarHBondContact O-N 3.23Å; Q131-F135 HydrophobicContact CB-CD2 4.42Å; Q131-F135 WeakPolarHBondContact O-CD2 2.96Å; Q131-F135 PolarHBondContact O-N 2.81Å
132K98.8Very high98.6Very high95 Ų9532.9 Ų32.941%0.41317%0.174SC..Hα-helixtrans-56.4-42.2177.9-172.5169.7-177.3164.80112.9D88 L89 S130 G136D88-K132 VanDerWaalsContact CG-NZ 3.33Å; D88-K132 WeakPolarHBondContact OD1-CE 3.33Å; D88-K132 IonicContact OD1-NZ 2.74Å; D88-K132 PolarHBondContact OD1-NZ 3.43Å; D88-K132 WeakPolarHBondContact OD2-CE 3.4Å; D88-K132 IonicContact OD2-NZ 3.67Å; D88-K132 PolarHBondContact OD2-NZ 3.12Å; L89-K132 HydrophobicContact CD1-CG 4.37Å; S130-K132 VanDerWaalsContact C-N 3.35Å; S130-K132 PolarHBondContact O-N 2.89Å; K132-G136 WeakPolarHBondContact O-CA 3.45Å; K132-G136 PolarHBondContact O-N 2.74Å
133K98.9Very high98.6Very high88 Ų8837.9 Ų37.938%0.38319%0.193SC..Hα-helixtrans-71.2-43.4-179.3-73.8175.369.7176.70112D126 A127 N129 S130 Q131 R137D126-K133 WeakPolarHBondContact O-CE 3.37Å; D126-K133 PolarHBondContact O-NZ 2.87Å; A127-K133 WeakPolarHBondContact O-CB 2.98Å; A127-K133 WeakPolarHBondContact O-CE 3.48Å; N129-K133 WeakPolarHBondContact OD1-CD 3.25Å; N129-K133 WeakPolarHBondContact OD1-CE 3.43Å; N129-K133 PolarHBondContact OD1-NZ 3.1Å; S130-K133 PolarHBondContact O-N 3.29Å; S130-K133 WeakPolarHBondContact OG-CB 3.44Å; S130-K133 VanDerWaalsContact OG-CG 3.29Å; S130-K133 WeakPolarHBondContact OG-CG 3.25Å; S130-K133 PolarHBondContact OG-N 2.99Å; Q131-K133 VanDerWaalsContact C-N 3.29Å; Q131-K133 PolarHBondContact O-N 3.18Å; K133-R137 VanDerWaalsContact O-CB 3.24Å; K133-R137 WeakPolarHBondContact O-CB 3.24Å; K133-R137 PolarHBondContact O-N 3.47Å
134Y98.9Very high98.7Very high0 Ų042.5 Ų42.50%021%0.211CC..Hα-helixtrans-59.1-53.8175.4171.8-101.1000112L67 W97 W115 A122 S130 Q131 S138L67-Y134 HydrophobicContact CB-CE2 3.97Å; L67-Y134 HydrophobicContact CD2-CD2 4.4Å; L67-Y134 HydrophobicContact CD2-CE2 4.18Å; L67-Y134 HydrophobicContact CG-CE2 4.27Å; L67-Y134 WeakPolarHBondContact O-CE2 3.48Å; L67-Y134 PolarHBondContact O-OH 2.93Å; W97-Y134 HydrophobicContact CH2-CE1 4.05Å; W115-Y134 AromaticContact CE3-CD1 3.9Å; W115-Y134 HydrophobicContact CE3-CD1 3.9Å; W115-Y134 HydrophobicContact CE3-CG 4.24Å; W115-Y134 HydrophobicContact CZ3-CD1 4.26Å; W115-Y134 HydrophobicContact CZ3-CG 4.14Å; A122-Y134 HydrophobicContact CB-CD2 3.79Å; A122-Y134 HydrophobicContact CB-CE2 3.88Å; S130-Y134 WeakPolarHBondContact O-CB 3.42Å; S130-Y134 PolarHBondContact O-N 2.7Å; Q131-Y134 PolarHBondContact O-N 3.23Å; Y134-S138 WeakPolarHBondContact O-CB 3.38Å; Y134-S138 PolarHBondContact O-N 3.42Å; Y134-S138 PolarHBondContact O-OG 3.4Å
135F98.9Very high98.7Very high0 Ų039 Ų390%020%0.195CC..Hα-helixtrans-67.9-41.6-179.8-74.1-69.1000111.9F81 I86 L89 M93 W97 W111 W115 Q131 S138 L139F81-F135 HydrophobicContact CD2-CE2 4.03Å; F81-F135 HydrophobicContact CD2-CZ 4.33Å; F81-F135 AromaticContact CE2-CE2 3.65Å; F81-F135 HydrophobicContact CE2-CE2 3.65Å; F81-F135 AromaticContact CE2-CZ 3.95Å; F81-F135 HydrophobicContact CE2-CZ 3.95Å; I86-F135 HydrophobicContact CD1-CD2 4.24Å; I86-F135 HydrophobicContact CD1-CE2 4.48Å; I86-F135 HydrophobicContact CD1-CG 4.46Å; I86-F135 HydrophobicContact CG2-CB 4.32Å; I86-F135 HydrophobicContact CG2-CD2 3.71Å; I86-F135 HydrophobicContact CG2-CE2 4.49Å; I86-F135 HydrophobicContact CG2-CG 4.32Å; L89-F135 HydrophobicContact CD1-CB 3.92Å; M93-F135 HydrophobicContact CE-CD1 3.28Å; M93-F135 HydrophobicContact CE-CE1 3.62Å; M93-F135 HydrophobicContact CE-CG 4.1Å; M93-F135 HydrophobicContact SD-CB 4.13Å; M93-F135 HydrophobicContact SD-CD1 3.87Å; M93-F135 HydrophobicContact SD-CG 4.32Å; W97-F135 AromaticContact CE3-CD1 3.99Å; W97-F135 HydrophobicContact CE3-CD1 3.99Å; W97-F135 HydrophobicContact CE3-CE1 4.42Å; W97-F135 AromaticContact CH2-CD1 3.94Å; W97-F135 HydrophobicContact CH2-CD1 3.94Å; W97-F135 AromaticContact CH2-CE1 3.95Å; W97-F135 HydrophobicContact CH2-CE1 3.95Å; W97-F135 HydrophobicContact CZ2-CE1 4.4Å; W97-F135 AromaticContact CZ3-CD1 3.5Å; W97-F135 HydrophobicContact CZ3-CD1 3.5Å; W97-F135 VanDerWaalsContact CZ3-CD1 3.5Å; W97-F135 AromaticContact CZ3-CE1 3.94Å; W97-F135 HydrophobicContact CZ3-CE1 3.94Å; W111-F135 HydrophobicContact CB-CE1 4.14Å; W111-F135 HydrophobicContact CB-CZ 4.1Å; W111-F135 WeakPolarHBondContact O-CZ 3.33Å; W115-F135 HydrophobicContact CB-CE2 4Å; W115-F135 HydrophobicContact CB-CZ 3.88Å; W115-F135 HydrophobicContact CE3-CE2 4.19Å; Q131-F135 HydrophobicContact CB-CD2 4.42Å; Q131-F135 WeakPolarHBondContact O-CD2 2.96Å; Q131-F135 PolarHBondContact O-N 2.81Å; F135-S138 PolarHBondContact O-N 3.19Å; F135-L139 WeakPolarHBondContact O-CG 3.27Å; F135-L139 PolarHBondContact O-N 2.92Å
136G98.9Very high98.7Very high21 Ų2142.1 Ų42.122%0.21621%0.212CC..Hα-helixtrans-61.7-47177.900000112.7K132 S138 L139 E140K132-G136 WeakPolarHBondContact O-CA 3.45Å; K132-G136 PolarHBondContact O-N 2.74Å; G136-S138 VanDerWaalsContact C-N 3.34Å; G136-S138 PolarHBondContact O-N 2.96Å; G136-L139 PolarHBondContact O-N 2.79Å; G136-E140 PolarHBondContact O-N 2.85Å
137R98.9Very high98.8Very high33 Ų3336.4 Ų36.413%0.12518%0.182CC..Hα-helixtrans-67.4-34.4176.9-176.257.1-179.3149.710.6112L128 K133 E140 L141 E144L128-R137 HydrophobicContact CD2-CB 3.61Å; L128-R137 HydrophobicContact CD2-CG 3.71Å; K133-R137 VanDerWaalsContact O-CB 3.24Å; K133-R137 WeakPolarHBondContact O-CB 3.24Å; K133-R137 PolarHBondContact O-N 3.47Å; R137-E140 WeakPolarHBondContact CD-OE2 3.42Å; R137-E140 IonicContact CZ-OE2 2.67Å; R137-E140 IonicContact NE-OE2 3.01Å; R137-E140 IonicContact NH1-OE2 3.65Å; R137-E140 PolarHBondContact NH1-OE2 2.77Å; R137-E140 PolarHBondContact O-N 2.96Å; R137-L141 HydrophobicContact CG-CD1 4.12Å; R137-L141 HydrophobicContact CG-CG 4.39Å; R137-L141 WeakPolarHBondContact O-CB 3.38Å; R137-L141 VanDerWaalsContact O-CG 3.29Å; R137-L141 WeakPolarHBondContact O-CG 3.4Å; R137-L141 PolarHBondContact O-N 3.07Å; R137-E144 IonicContact CZ-OE2 3.62Å; R137-E144 IonicContact NH1-OE1 2.65Å; R137-E144 PolarHBondContact NH1-OE1 2.86Å; R137-E144 IonicContact NH1-OE2 3.73Å; R137-E144 PolarHBondContact NH1-OE2 2.8Å; R137-E144 IonicContact NH2-OE2 3.13Å; R137-E144 PolarHBondContact NH2-OE2 2.96Å
138S98.9Very high98.8Very high0 Ų035.6 Ų35.60%017%0.171CC..Hα-helixtrans-63.5-43.2174.8-57.70000112.1L67 W97 Y134 F135 G136 E140 L141 Y142L67-S138 WeakPolarHBondContact CB-OG 3.36Å; L67-S138 WeakPolarHBondContact CD2-OG 3.49Å; W97-S138 VanDerWaalsContact CZ3-CB 3.44Å; Y134-S138 WeakPolarHBondContact O-CB 3.38Å; Y134-S138 PolarHBondContact O-N 3.42Å; Y134-S138 PolarHBondContact O-OG 3.4Å; F135-S138 PolarHBondContact O-N 3.19Å; G136-S138 VanDerWaalsContact C-N 3.34Å; G136-S138 PolarHBondContact O-N 2.96Å; S138-E140 VanDerWaalsContact C-N 3.33Å; S138-L141 PolarHBondContact O-N 2.87Å; S138-Y142 WeakPolarHBondContact O-CB 3.5Å; S138-Y142 PolarHBondContact O-N 2.85Å
139L98.9Very high98.8Very high0 Ų038.4 Ų38.40%019%0.191CC..Hα-helixtrans-64-38.8174.1-70.4167.7000111.7I64 L89 E92 M93 Y96 F135 G136 Y142 R143I64-L139 HydrophobicContact CD1-CD2 3.93Å; L89-L139 HydrophobicContact CB-CD1 4.11Å; L89-L139 HydrophobicContact CD1-CD1 4.46Å; L89-L139 HydrophobicContact CD2-CD1 4.39Å; E92-L139 HydrophobicContact CB-CD1 3.83Å; E92-L139 HydrophobicContact CB-CD2 4.02Å; M93-L139 HydrophobicContact CG-CD1 4.24Å; M93-L139 HydrophobicContact SD-CD1 3.85Å; M93-L139 HydrophobicContact SD-CD2 4.22Å; M93-L139 HydrophobicContact SD-CG 4.11Å; Y96-L139 HydrophobicContact CD2-CD2 4.29Å; F135-L139 WeakPolarHBondContact O-CG 3.27Å; F135-L139 PolarHBondContact O-N 2.92Å; G136-L139 PolarHBondContact O-N 2.79Å; L139-Y142 PolarHBondContact O-N 3.32Å; L139-R143 WeakPolarHBondContact O-CG 3.36Å; L139-R143 PolarHBondContact O-N 2.71Å; L139-R143 VanDerWaalsContact O-N 3.14Å
140E98.9Very high98.8Very high79 Ų7936.6 Ų36.637%0.36918%0.182SC..Hα-helixtrans-63.9-48.8175.2-172.4178.3-137.100112.2G136 R137 S138 Y142 R143 E144G136-E140 PolarHBondContact O-N 2.85Å; R137-E140 WeakPolarHBondContact CD-OE2 3.42Å; R137-E140 IonicContact CZ-OE2 2.67Å; R137-E140 IonicContact NE-OE2 3.01Å; R137-E140 IonicContact NH1-OE2 3.65Å; R137-E140 PolarHBondContact NH1-OE2 2.77Å; R137-E140 PolarHBondContact O-N 2.96Å; S138-E140 VanDerWaalsContact C-N 3.33Å; E140-Y142 VanDerWaalsContact C-N 3.29Å; E140-Y142 PolarHBondContact O-N 3.15Å; E140-R143 VanDerWaalsContact CA-NH2 3.32Å; E140-R143 PolarHBondContact O-N 3.13Å; E140-R143 VanDerWaalsContact O-N 3.08Å; E140-E144 HydrophobicContact CG-CG 4.32Å; E140-E144 WeakPolarHBondContact CG-OE1 3.4Å; E140-E144 WeakPolarHBondContact O-CG 3.29Å; E140-E144 PolarHBondContact O-N 2.58Å
141L98.9Very high98.8Very high3 Ų335.3 Ų35.32%0.01617%0.173CC..Hα-helixtrans-57-42174.9-74.9165.6000111.9L67 R137 S138 R143 E144 L145 L203 Q208L67-L141 HydrophobicContact CD1-CD1 4.07Å; L67-L141 HydrophobicContact CD2-CD1 4.06Å; R137-L141 HydrophobicContact CG-CD1 4.12Å; R137-L141 HydrophobicContact CG-CG 4.39Å; R137-L141 WeakPolarHBondContact O-CB 3.38Å; R137-L141 VanDerWaalsContact O-CG 3.29Å; R137-L141 WeakPolarHBondContact O-CG 3.4Å; R137-L141 PolarHBondContact O-N 3.07Å; S138-L141 PolarHBondContact O-N 2.87Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 3.03Å; L141-E144 PolarHBondContact O-N 3.32Å; L141-L145 VanDerWaalsContact O-CB 3.29Å; L141-L145 WeakPolarHBondContact O-CB 3.39Å; L141-L145 WeakPolarHBondContact O-CG 3.4Å; L141-L145 PolarHBondContact O-N 3.22Å; L141-L203 HydrophobicContact CD1-CD1 3.63Å; L141-L203 HydrophobicContact CD2-CD1 3.87Å; L141-L203 HydrophobicContact CG-CD1 4.32Å; L141-Q208 HydrophobicContact CD1-CB 4.14Å; L141-Q208 HydrophobicContact CD1-CG 4.36Å; L141-Q208 HydrophobicContact CD2-CB 4.03Å
142Y98.9Very high98.8Very high14 Ų1440.6 Ų40.66%0.05520%0.2CC..Hα-helixtrans-57.6-45.2174.8173.2-98000112.2M39 Q41 W62 I64 Y96 S138 L139 E140 D146 N148M39-Y142 HydrophobicContact CE-CD2 4.29Å; Q41-Y142 HydrophobicContact CG-CD2 4.35Å; Q41-Y142 VanDerWaalsContact OE1-CE2 3.31Å; W62-Y142 WeakPolarHBondContact O-CE2 3.28Å; W62-Y142 PolarHBondContact O-OH 2.95Å; I64-Y142 HydrophobicContact CD1-CD1 4.45Å; I64-Y142 HydrophobicContact CD1-CD2 4.14Å; I64-Y142 HydrophobicContact CD1-CG 3.8Å; I64-Y142 HydrophobicContact CG1-CD2 3.47Å; I64-Y142 VanDerWaalsContact CG1-CD2 3.47Å; I64-Y142 HydrophobicContact CG1-CE2 4.18Å; I64-Y142 HydrophobicContact CG1-CG 3.68Å; Y96-Y142 HydrophobicContact CD1-CD1 4.29Å; Y96-Y142 AromaticContact CD1-CE1 3.4Å; Y96-Y142 HydrophobicContact CD1-CE1 3.4Å; Y96-Y142 VanDerWaalsContact CD1-CE1 3.4Å; Y96-Y142 AromaticContact CD1-CZ 3.97Å; Y96-Y142 HydrophobicContact CD2-CD1 4.17Å; Y96-Y142 HydrophobicContact CD2-CE1 4.05Å; Y96-Y142 AromaticContact CE1-CE1 3.99Å; Y96-Y142 HydrophobicContact CE1-CE1 3.99Å; Y96-Y142 AromaticContact CG-CD1 3.87Å; Y96-Y142 HydrophobicContact CG-CD1 3.87Å; Y96-Y142 AromaticContact CG-CE1 3.44Å; Y96-Y142 HydrophobicContact CG-CE1 3.44Å; Y96-Y142 VanDerWaalsContact CG-CE1 3.44Å; S138-Y142 WeakPolarHBondContact O-CB 3.5Å; S138-Y142 PolarHBondContact O-N 2.85Å; L139-Y142 PolarHBondContact O-N 3.32Å; E140-Y142 VanDerWaalsContact C-N 3.29Å; E140-Y142 PolarHBondContact O-N 3.15Å; Y142-D146 PolarHBondContact O-N 2.61Å; Y142-N148 PolarHBondContact OH-ND2 2.78Å
143R98.8Very high98.7Very high106 Ų10645.1 Ų45.140%0.422%0.22SC..Hα-helixtrans-70.9-37.6177.6-66-175.9-53.1-99.8-4.7112.9E92 L139 E140 L141E92-R143 IonicContact OE1-NH1 3.25Å; E92-R143 IonicContact OE2-CZ 3.73Å; E92-R143 IonicContact OE2-NH1 3.32Å; E92-R143 PolarHBondContact OE2-NH1 2.77Å; L139-R143 WeakPolarHBondContact O-CG 3.36Å; L139-R143 PolarHBondContact O-N 2.71Å; L139-R143 VanDerWaalsContact O-N 3.14Å; E140-R143 VanDerWaalsContact CA-NH2 3.32Å; E140-R143 PolarHBondContact O-N 3.13Å; E140-R143 VanDerWaalsContact O-N 3.08Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 3.03Å
144E98.6Very high98.7Very high112 Ų11244.4 Ų44.452%0.52322%0.22SC..Hα-helixtrans-67.1-40.6178.1-74.9175.2-177.700111.7R137 E140 L141R137-E144 IonicContact CZ-OE2 3.62Å; R137-E144 IonicContact NH1-OE1 2.65Å; R137-E144 PolarHBondContact NH1-OE1 2.86Å; R137-E144 IonicContact NH1-OE2 3.73Å; R137-E144 PolarHBondContact NH1-OE2 2.8Å; R137-E144 IonicContact NH2-OE2 3.13Å; R137-E144 PolarHBondContact NH2-OE2 2.96Å; E140-E144 HydrophobicContact CG-CG 4.32Å; E140-E144 WeakPolarHBondContact CG-OE1 3.4Å; E140-E144 WeakPolarHBondContact O-CG 3.29Å; E140-E144 PolarHBondContact O-N 2.58Å; L141-E144 PolarHBondContact O-N 3.32Å
145L98.8Very high98.6Very high13 Ų1346.4 Ų46.47%0.06824%0.241CC..Hα-helixtrans-75.1-35.2179.5-67.8170.5000112.3M39 L141 L147 Y176 L201 L210M39-L145 HydrophobicContact CB-CD1 4.2Å; M39-L145 HydrophobicContact CG-CD1 3.76Å; L141-L145 VanDerWaalsContact O-CB 3.29Å; L141-L145 WeakPolarHBondContact O-CB 3.39Å; L141-L145 WeakPolarHBondContact O-CG 3.4Å; L141-L145 PolarHBondContact O-N 3.22Å; L145-L147 VanDerWaalsContact C-N 3.28Å; L145-L147 PolarHBondContact O-N 3.39Å; L145-L147 VanDerWaalsContact O-N 3.15Å; L145-Y176 HydrophobicContact CB-CE1 4.4Å; L145-Y176 HydrophobicContact CD2-CD1 4.26Å; L145-Y176 HydrophobicContact CD2-CE1 4.03Å; L145-Y176 WeakPolarHBondContact O-CE1 3.49Å; L145-Y176 PolarHBondContact O-OH 3.49Å; L145-L201 HydrophobicContact CD1-CD1 4.07Å; L145-L201 HydrophobicContact CD2-CD1 4.11Å; L145-L210 HydrophobicContact CD2-CD1 3.95Å; L145-L210 HydrophobicContact CD2-CD2 3.9Å; L145-L210 HydrophobicContact CD2-CG 4.13Å
146D98.6Very high98.6Very high67 Ų6746.8 Ų46.836%0.35824%0.243SC..  trans43.150.3175.9-164.76.1000113.9Y142 N148 S149 V150Y142-D146 PolarHBondContact O-N 2.61Å; D146-N148 PolarHBondContact O-N 2.92Å; D146-N148 VanDerWaalsContact O-N 3.1Å; D146-S149 PolarHBondContact O-N 3.38Å; D146-S149 VanDerWaalsContact O-N 3.15Å; D146-S149 WeakPolarHBondContact OD1-CB 3.08Å; D146-S149 PolarHBondContact OD1-N 3.15Å; D146-S149 PolarHBondContact OD1-OG 3.45Å; D146-S149 WeakPolarHBondContact OD2-CB 3.5Å; D146-S149 PolarHBondContact OD2-OG 3.33Å; D146-V150 WeakPolarHBondContact O-CG2 3.47Å; D146-V150 PolarHBondContact O-N 3.26Å
147L98.8Very high98.5Very high0 Ų051.8 Ų51.80%026%0.259CS..Hα-helixtrans-52.2-37-177.5176.163.5000112.1Q41 W62 L145 V150 L151 L172 Y176 I199Q41-L147 HydrophobicContact CB-CD2 4.07Å; W62-L147 HydrophobicContact CB-CD2 4.04Å; W62-L147 HydrophobicContact CD2-CD2 3.85Å; W62-L147 HydrophobicContact CE3-CD2 4.07Å; W62-L147 HydrophobicContact CG-CD2 3.82Å; W62-L147 HydrophobicContact CG-CG 4.33Å; L145-L147 VanDerWaalsContact C-N 3.28Å; L145-L147 PolarHBondContact O-N 3.39Å; L145-L147 VanDerWaalsContact O-N 3.15Å; L147-V150 PolarHBondContact O-N 3.06Å; L147-L151 HydrophobicContact CD1-CD1 3.86Å; L147-L151 HydrophobicContact CD1-CG 3.91Å; L147-L151 HydrophobicContact CG-CD1 3.92Å; L147-L151 HydrophobicContact CG-CG 4.37Å; L147-L151 WeakPolarHBondContact O-CB 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.44Å; L147-L151 PolarHBondContact O-N 3.44Å; L147-L172 HydrophobicContact CD1-CD1 4.11Å; L147-L172 HydrophobicContact CD1-CD2 3.72Å; L147-Y176 VanDerWaalsContact CA-OH 3.31Å; L147-Y176 WeakPolarHBondContact CA-OH 3.34Å; L147-Y176 HydrophobicContact CD1-CE2 4.35Å; L147-I199 HydrophobicContact CD1-CD1 4.29Å; L147-I199 HydrophobicContact CD2-CB 4.17Å; L147-I199 HydrophobicContact CD2-CD1 4.03Å; L147-I199 HydrophobicContact CD2-CG2 4.27Å
148N98.6Very high98.5Very high25 Ų2552 Ų5213%0.13427%0.265CS..Hα-helixtrans-59.7-55.4178.3-71.1-60.9000112.2Y61 W62 Y142 D146 V150 L151 L152Y61-N148 WeakPolarHBondContact CA-OD1 3.24Å; Y61-N148 VanDerWaalsContact CB-OD1 3.31Å; Y61-N148 WeakPolarHBondContact CB-OD1 3.47Å; W62-N148 WeakPolarHBondContact CB-OD1 3.31Å; W62-N148 PolarHBondContact N-OD1 3.24Å; W62-N148 PolarHBondContact O-ND2 2.98Å; W62-N148 VanDerWaalsContact O-ND2 3.07Å; Y142-N148 PolarHBondContact OH-ND2 2.78Å; D146-N148 PolarHBondContact O-N 2.92Å; D146-N148 VanDerWaalsContact O-N 3.1Å; N148-V150 VanDerWaalsContact C-N 3.3Å; N148-V150 PolarHBondContact O-N 3.09Å; N148-L151 PolarHBondContact O-N 3.23Å; N148-L152 WeakPolarHBondContact O-CB 3.47Å; N148-L152 VanDerWaalsContact O-CG 3.28Å; N148-L152 WeakPolarHBondContact O-CG 3.37Å; N148-L152 PolarHBondContact O-N 3.12Å; N148-L152 VanDerWaalsContact O-N 3.1Å
149S98.5Very high98.4Very high59 Ų5953.3 Ų53.341%0.41327%0.273SS..Hα-helixtrans-66.4-35.4178.7-58.70000112.1D146 K153D146-S149 PolarHBondContact O-N 3.38Å; D146-S149 VanDerWaalsContact O-N 3.15Å; D146-S149 WeakPolarHBondContact OD1-CB 3.08Å; D146-S149 PolarHBondContact OD1-N 3.15Å; D146-S149 PolarHBondContact OD1-OG 3.45Å; D146-S149 WeakPolarHBondContact OD2-CB 3.5Å; D146-S149 PolarHBondContact OD2-OG 3.33Å; S149-K153 WeakPolarHBondContact O-CB 3.43Å; S149-K153 PolarHBondContact O-N 3.04Å
150V98.7Very high98.1Very high24 Ų2460 Ų6015%0.14531%0.308CS..Hα-helixtrans-59.2-53.7177.21670000110.8D146 L147 N148 L152 K153 L154 L172 V175 Y176D146-V150 WeakPolarHBondContact O-CG2 3.47Å; D146-V150 PolarHBondContact O-N 3.26Å; L147-V150 PolarHBondContact O-N 3.06Å; N148-V150 VanDerWaalsContact C-N 3.3Å; N148-V150 PolarHBondContact O-N 3.09Å; V150-L152 PolarHBondContact O-N 2.76Å; V150-K153 PolarHBondContact O-N 2.94Å; V150-L154 HydrophobicContact CG1-CD1 3.89Å; V150-L154 WeakPolarHBondContact O-CD1 3.33Å; V150-L154 VanDerWaalsContact O-CG 3.28Å; V150-L154 WeakPolarHBondContact O-CG 3.34Å; V150-L154 PolarHBondContact O-N 2.91Å; V150-L154 VanDerWaalsContact O-N 3.09Å; V150-L172 HydrophobicContact CG1-CD2 3.74Å; V150-V175 HydrophobicContact CG1-CB 4.14Å; V150-V175 HydrophobicContact CG1-CG1 3.83Å; V150-V175 HydrophobicContact CG1-CG2 4.09Å; V150-V175 HydrophobicContact CG2-CG1 3.96Å; V150-Y176 HydrophobicContact CG2-CE1 4.48Å
151L98.7Very high98Very high2 Ų261.6 Ų61.61%0.0132%0.319CS..Hα-helixtrans-61.3-46.8179.3-72.4173000111.6W62 L147 N148 K153 L154 G155 I156 F168 L172W62-L151 HydrophobicContact CZ2-CD1 4.45Å; L147-L151 HydrophobicContact CD1-CD1 3.86Å; L147-L151 HydrophobicContact CD1-CG 3.91Å; L147-L151 HydrophobicContact CG-CD1 3.92Å; L147-L151 HydrophobicContact CG-CG 4.37Å; L147-L151 WeakPolarHBondContact O-CB 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.44Å; L147-L151 PolarHBondContact O-N 3.44Å; N148-L151 PolarHBondContact O-N 3.23Å; L151-K153 VanDerWaalsContact C-N 3.35Å; L151-K153 PolarHBondContact O-N 3.25Å; L151-L154 CarbonylContact O-C 3.48Å; L151-L154 PolarHBondContact O-N 3.19Å; L151-L154 VanDerWaalsContact O-N 3.13Å; L151-G155 PolarHBondContact O-N 2.89Å; L151-I156 CarbonylContact C-O 3.56Å; L151-I156 VanDerWaalsContact C-O 3.25Å; L151-I156 HydrophobicContact CB-CB 4.35Å; L151-I156 HydrophobicContact CD2-CB 4.02Å; L151-I156 HydrophobicContact CD2-CD1 4.05Å; L151-I156 HydrophobicContact CD2-CG2 3.97Å; L151-I156 PolarHBondContact O-N 2.99Å; L151-I156 VanDerWaalsContact O-O 3.13Å; L151-F168 HydrophobicContact CD1-CE1 4.48Å; L151-F168 HydrophobicContact CD2-CD1 3.88Å; L151-F168 HydrophobicContact CD2-CE1 4.09Å; L151-L172 HydrophobicContact CD2-CD1 4.37Å; L151-L172 HydrophobicContact CD2-CD2 3.78Å; L151-L172 HydrophobicContact CD2-CG 4.24Å; L151-L172 HydrophobicContact CG-CD2 4.28Å
152L97.9Very high97.9Very high111 Ų11167 Ų6758%0.58134%0.34SS*.Hα-helixtrans-59.7-43.3178.8-72.7173.3000112.3N148 V150 L154 G155 K157N148-L152 WeakPolarHBondContact O-CB 3.47Å; N148-L152 VanDerWaalsContact O-CG 3.28Å; N148-L152 WeakPolarHBondContact O-CG 3.37Å; N148-L152 PolarHBondContact O-N 3.12Å; N148-L152 VanDerWaalsContact O-N 3.1Å; V150-L152 PolarHBondContact O-N 2.76Å; L152-L154 VanDerWaalsContact C-N 3.27Å; L152-L154 PolarHBondContact O-N 2.81Å; L152-G155 PolarHBondContact O-N 3.02Å; L152-K157 HydrophobicContact CD2-CB 4.07Å
153K98.3Very high97.9Very high190 Ų19068.1 Ų68.183%0.82634%0.344SS*.Hα-helixtrans-66.4-30178.2-175.4177.2179.3-178.90112.6S149 V150 L151 G155S149-K153 WeakPolarHBondContact O-CB 3.43Å; S149-K153 PolarHBondContact O-N 3.04Å; V150-K153 PolarHBondContact O-N 2.94Å; L151-K153 VanDerWaalsContact C-N 3.35Å; L151-K153 PolarHBondContact O-N 3.25Å; K153-G155 PolarHBondContact O-N 3.25Å
154L97.8Very high97.9Very high73 Ų7367.3 Ų67.338%0.38235%0.345SS..THydrogen-bonded Turntrans-79.7-2.8173.6-67.9167.1000112.9V150 L151 L152 I156 A171 V175V150-L154 HydrophobicContact CG1-CD1 3.89Å; V150-L154 WeakPolarHBondContact O-CD1 3.33Å; V150-L154 VanDerWaalsContact O-CG 3.28Å; V150-L154 WeakPolarHBondContact O-CG 3.34Å; V150-L154 PolarHBondContact O-N 2.91Å; V150-L154 VanDerWaalsContact O-N 3.09Å; L151-L154 CarbonylContact O-C 3.48Å; L151-L154 PolarHBondContact O-N 3.19Å; L151-L154 VanDerWaalsContact O-N 3.13Å; L152-L154 VanDerWaalsContact C-N 3.27Å; L152-L154 PolarHBondContact O-N 2.81Å; L154-I156 HydrophobicContact CB-CD1 4.28Å; L154-I156 HydrophobicContact CB-CG1 4.26Å; L154-I156 PolarHBondContact O-N 2.86Å; L154-A171 HydrophobicContact CD1-CB 3.6Å; L154-A171 HydrophobicContact CD2-CB 4.4Å; L154-A171 HydrophobicContact CG-CB 4.43Å; L154-V175 HydrophobicContact CD1-CG2 4Å; L154-V175 HydrophobicContact CD2-CG2 4.5Å
155G98.1Very high97.9Very high43 Ų4362.2 Ų62.244%0.44332%0.322SS..THydrogen-bonded Turntrans77.210.4-177.200000113.9L151 L152 K153 K157 Y163L151-G155 PolarHBondContact O-N 2.89Å; L152-G155 PolarHBondContact O-N 3.02Å; K153-G155 PolarHBondContact O-N 3.25Å; G155-K157 PolarHBondContact O-N 2.76Å; G155-Y163 PolarHBondContact O-OH 3.29Å; G155-Y163 VanDerWaalsContact O-OH 3.12Å
156I98.5Very high97.9Very high8 Ų863.5 Ų63.54%0.04133%0.334CS..  trans-89.4101.5175.4-54.5173.7000107.3L151 L154 Y163 D167 F168 A171 Y248L151-I156 CarbonylContact C-O 3.56Å; L151-I156 VanDerWaalsContact C-O 3.25Å; L151-I156 HydrophobicContact CB-CB 4.35Å; L151-I156 HydrophobicContact CD2-CB 4.02Å; L151-I156 HydrophobicContact CD2-CD1 4.05Å; L151-I156 HydrophobicContact CD2-CG2 3.97Å; L151-I156 PolarHBondContact O-N 2.99Å; L151-I156 VanDerWaalsContact O-O 3.13Å; L154-I156 HydrophobicContact CB-CD1 4.28Å; L154-I156 HydrophobicContact CB-CG1 4.26Å; L154-I156 PolarHBondContact O-N 2.86Å; I156-Y163 HydrophobicContact CB-CE1 4.43Å; I156-Y163 HydrophobicContact CG1-CE1 4.33Å; I156-Y163 HydrophobicContact CG2-CD1 4.5Å; I156-Y163 HydrophobicContact CG2-CE1 4.16Å; I156-D167 VanDerWaalsContact CD1-O 3.27Å; I156-D167 WeakPolarHBondContact CD1-O 3.47Å; I156-F168 HydrophobicContact CG2-CD1 4Å; I156-F168 HydrophobicContact CG2-CD2 4.37Å; I156-F168 HydrophobicContact CG2-CE1 3.45Å; I156-F168 VanDerWaalsContact CG2-CE1 3.45Å; I156-F168 HydrophobicContact CG2-CE2 3.86Å; I156-F168 HydrophobicContact CG2-CG 4.42Å; I156-F168 HydrophobicContact CG2-CZ 3.37Å; I156-A171 HydrophobicContact CD1-CB 3.96Å; I156-Y248 HydrophobicContact CG2-CD1 4.37Å; I156-Y248 HydrophobicContact CG2-CE1 4.49Å
157K97.6Very high97.9Very high126 Ų12663.8 Ų63.855%0.54834%0.336SS..  trans-134.4156.2-17664.6-174.9177.4-1730109.7L152 G155 S159 Y163 Y248L152-K157 HydrophobicContact CD2-CB 4.07Å; G155-K157 PolarHBondContact O-N 2.76Å; K157-S159 PolarHBondContact O-N 2.96Å; K157-Y163 PolarHBondContact N-OH 3.42Å; K157-Y163 VanDerWaalsContact N-OH 3.08Å; K157-Y163 WeakPolarHBondContact O-CE2 3.15Å; K157-Y163 PolarHBondContact O-OH 3.5Å; K157-Y248 WeakPolarHBondContact O-CD1 3.49Å
158P97.6Very high97.8Very high38 Ų3863.9 Ų63.925%0.24734%0.336CS..  trans-54.5132.6177.6-22.731.1000110.7W43 Y248 P250W43-P158 HydrophobicContact CH2-CG 3.54Å; W43-P158 HydrophobicContact CZ2-CB 4.17Å; W43-P158 HydrophobicContact CZ2-CG 3.47Å; W43-P158 VanDerWaalsContact CZ2-CG 3.47Å; P158-Y248 WeakPolarHBondContact CA-O 3.15Å; P158-Y248 HydrophobicContact CB-CD1 4.49Å; P158-Y248 HydrophobicContact CB-CE1 4.36Å; P158-Y248 VanDerWaalsContact CD-CE1 3.42Å; P158-Y248 HydrophobicContact CG-CD1 4.4Å; P158-Y248 HydrophobicContact CG-CE1 3.79Å; P158-Y248 HydrophobicContact CG-CE2 4.04Å; P158-P250 HydrophobicContact CB-CB 4.23Å; P158-P250 HydrophobicContact CB-CG 4.32Å
159S96.1Very high97.8Very high26 Ų2666.3 Ų66.318%0.18235%0.346CS..  trans-151.7148.9-167.9-177.40000111.2K157 N161 F247 Y248K157-S159 PolarHBondContact O-N 2.96Å; S159-N161 PolarHBondContact OG-N 2.9Å; S159-F247 VanDerWaalsContact O-CE2 3.23Å; S159-F247 WeakPolarHBondContact O-CE2 3.29Å; S159-Y248 PolarHBondContact N-O 3.08Å
160I94.3Very high97.8Very high140 Ų14068.6 Ų68.672%0.71835%0.353SS*.SBendtrans-71.7-20.6168.762.1171.3000112.2
161N96.1Very high97.7Very high114 Ų11468.4 Ų68.461%0.6135%0.354SS*.SBendtrans-85.6143.8175.3-62.8-26.5000109.9S159S159-N161 PolarHBondContact OG-N 2.9Å
162Y97.8Very high97.7Very high116 Ų11668.3 Ų68.346%0.45535%0.354SS..PPolyproline II helixtrans-74.8145.3176.4-53.3-34.4000112V193 F247Y162-V193 HydrophobicContact CD1-CG2 3.8Å; Y162-V193 HydrophobicContact CD2-CG1 3.92Å; Y162-V193 HydrophobicContact CD2-CG2 4.24Å; Y162-V193 HydrophobicContact CE1-CG2 3.51Å; Y162-V193 HydrophobicContact CE2-CG1 3.73Å; Y162-V193 HydrophobicContact CE2-CG2 3.96Å; Y162-V193 HydrophobicContact CG-CG2 4.16Å; Y162-F247 HydrophobicContact CD1-CB 4.01Å; Y162-F247 AromaticContact CD1-CD2 3.96Å; Y162-F247 HydrophobicContact CD1-CD2 3.96Å; Y162-F247 HydrophobicContact CD1-CG 4.36Å; Y162-F247 HydrophobicContact CE1-CB 4.04Å; Y162-F247 AromaticContact CE1-CD2 3.9Å; Y162-F247 HydrophobicContact CE1-CD2 3.9Å; Y162-F247 HydrophobicContact CE1-CG 4.16Å
163Y98.5Very high97.7Very high38 Ų3863.8 Ų63.815%0.14933%0.332CS..EExtended strand (participates in β ladder)trans-94.5170.6165.1-73.7-86.7000109.3G155 I156 K157 D167 F168 P245 V246 Y248G155-Y163 PolarHBondContact O-OH 3.29Å; G155-Y163 VanDerWaalsContact O-OH 3.12Å; I156-Y163 HydrophobicContact CB-CE1 4.43Å; I156-Y163 HydrophobicContact CG1-CE1 4.33Å; I156-Y163 HydrophobicContact CG2-CD1 4.5Å; I156-Y163 HydrophobicContact CG2-CE1 4.16Å; K157-Y163 PolarHBondContact N-OH 3.42Å; K157-Y163 VanDerWaalsContact N-OH 3.08Å; K157-Y163 WeakPolarHBondContact O-CE2 3.15Å; K157-Y163 PolarHBondContact O-OH 3.5Å; Y163-D167 HydrophobicContact CD1-CB 4.09Å; Y163-F168 HydrophobicContact CD2-CE2 4.15Å; Y163-F168 AromaticContact CG-CE2 3.93Å; Y163-F168 HydrophobicContact CG-CE2 3.93Å; Y163-P245 CarbonylContact O-C 3.56Å; Y163-P245 VanDerWaalsContact O-CA 3.29Å; Y163-P245 WeakPolarHBondContact O-CA 3.46Å; Y163-V246 PolarHBondContact N-O 3.4Å; Y163-V246 PolarHBondContact O-N 2.99Å; Y163-Y248 HydrophobicContact CE2-CD1 4.33Å
164Q98.5Very high97.7Very high88 Ų8865.4 Ų65.441%0.41133%0.333SS..EExtended strand (participates in β ladder)trans-90.6146.3157.7-62-62.4-45.800109.2A166 D167 G244Q164-A166 HydrophobicContact CB-CB 4.41Å; Q164-A166 PolarHBondContact O-N 2.58Å; Q164-A166 VanDerWaalsContact O-N 3.15Å; Q164-D167 PolarHBondContact N-OD2 3.41Å; Q164-D167 VanDerWaalsContact O-CB 3.26Å; Q164-D167 WeakPolarHBondContact O-CB 3.3Å; Q164-D167 PolarHBondContact O-N 2.86Å; Q164-G244 CarbonylContact C-O 3.48Å; Q164-G244 WeakPolarHBondContact CA-O 3.3Å; Q164-G244 VanDerWaalsContact OE1-CA 3.26Å; Q164-G244 PolarHBondContact OE1-O 3.06Å
165V98.4Very high97.7Very high6 Ų665.3 Ų65.34%0.03634%0.335CS..Hα-helixtrans-55.8-32.6172.6172.20000111.4D167 F168 K169 I182 C241 E242 G244 V246V165-D167 VanDerWaalsContact C-N 3.27Å; V165-D167 PolarHBondContact O-N 2.93Å; V165-F168 PolarHBondContact O-N 2.97Å; V165-K169 WeakPolarHBondContact O-CB 3.01Å; V165-K169 PolarHBondContact O-N 3.17Å; V165-I182 HydrophobicContact CG1-CD1 4.42Å; V165-C241 HydrophobicContact CG1-CB 4.02Å; V165-C241 HydrophobicContact CG2-CB 3.76Å; V165-E242 VanDerWaalsContact CG2-O 3.26Å; V165-E242 WeakPolarHBondContact CG2-O 3.28Å; V165-G244 PolarHBondContact N-O 3.49Å; V165-V246 HydrophobicContact CG2-CB 3.78Å; V165-V246 HydrophobicContact CG2-CG1 3.84Å; V165-V246 HydrophobicContact CG2-CG2 4.45Å
166A98.1Very high97.7Very high40 Ų4064.5 Ų64.533%0.33132%0.319SS..Hα-helixtrans-59-33.9173.200000113.2Q164 F168 K169 D170Q164-A166 HydrophobicContact CB-CB 4.41Å; Q164-A166 PolarHBondContact O-N 2.58Å; Q164-A166 VanDerWaalsContact O-N 3.15Å; A166-F168 VanDerWaalsContact C-N 3.27Å; A166-F168 PolarHBondContact O-N 3.16Å; A166-K169 PolarHBondContact O-N 3.04Å; A166-D170 VanDerWaalsContact O-CB 3.28Å; A166-D170 WeakPolarHBondContact O-CB 3.44Å; A166-D170 PolarHBondContact O-N 3Å
167D98.3Very high97.7Very high73 Ų7367.1 Ų67.139%0.3935%0.348SS..Hα-helixtrans-60-40.9178.3-62.7-35.7000110.9I156 Y163 Q164 V165 A171I156-D167 VanDerWaalsContact CD1-O 3.27Å; I156-D167 WeakPolarHBondContact CD1-O 3.47Å; Y163-D167 HydrophobicContact CD1-CB 4.09Å; Q164-D167 PolarHBondContact N-OD2 3.41Å; Q164-D167 VanDerWaalsContact O-CB 3.26Å; Q164-D167 WeakPolarHBondContact O-CB 3.3Å; Q164-D167 PolarHBondContact O-N 2.86Å; V165-D167 VanDerWaalsContact C-N 3.27Å; V165-D167 PolarHBondContact O-N 2.93Å; D167-A171 WeakPolarHBondContact O-CB 3.44Å
168F98.6Very high97.7Very high1 Ų161.7 Ų61.70%0.00433%0.325CS..Hα-helixtrans-73.4-53.4173.9-73-99.4000111.2L151 I156 Y163 V165 A166 D170 A171 L172 I182 V196 I199 V246 Y248L151-F168 HydrophobicContact CD1-CE1 4.48Å; L151-F168 HydrophobicContact CD2-CD1 3.88Å; L151-F168 HydrophobicContact CD2-CE1 4.09Å; I156-F168 HydrophobicContact CG2-CD1 4Å; I156-F168 HydrophobicContact CG2-CD2 4.37Å; I156-F168 HydrophobicContact CG2-CE1 3.45Å; I156-F168 VanDerWaalsContact CG2-CE1 3.45Å; I156-F168 HydrophobicContact CG2-CE2 3.86Å; I156-F168 HydrophobicContact CG2-CG 4.42Å; I156-F168 HydrophobicContact CG2-CZ 3.37Å; Y163-F168 HydrophobicContact CD2-CE2 4.15Å; Y163-F168 AromaticContact CG-CE2 3.93Å; Y163-F168 HydrophobicContact CG-CE2 3.93Å; V165-F168 PolarHBondContact O-N 2.97Å; A166-F168 VanDerWaalsContact C-N 3.27Å; A166-F168 PolarHBondContact O-N 3.16Å; F168-D170 PolarHBondContact O-N 3.04Å; F168-A171 PolarHBondContact O-N 2.88Å; F168-L172 VanDerWaalsContact O-CB 3.24Å; F168-L172 WeakPolarHBondContact O-CB 3.38Å; F168-L172 WeakPolarHBondContact O-CG 3.41Å; F168-L172 PolarHBondContact O-N 3.25Å; F168-I182 HydrophobicContact CB-CD1 3.47Å; F168-I182 VanDerWaalsContact CB-CD1 3.47Å; F168-V196 HydrophobicContact CZ-CG1 4.28Å; F168-I199 HydrophobicContact CD1-CD1 4.33Å; F168-V246 HydrophobicContact CD2-CG1 4.33Å; F168-V246 HydrophobicContact CE2-CG1 4.19Å; F168-Y248 HydrophobicContact CE1-CD1 4.34Å; F168-Y248 AromaticContact CZ-CD1 3.76Å; F168-Y248 HydrophobicContact CZ-CD1 3.76Å; F168-Y248 HydrophobicContact CZ-CE1 4.41Å; F168-Y248 AromaticContact CZ-CG 3.9Å; F168-Y248 HydrophobicContact CZ-CG 3.9Å
169K97.6Very high97.6Very high77 Ų7763.9 Ų63.934%0.33533%0.334SS..Hα-helixtrans-59.9-49-170.9-170.2178.4-179.6179.70111.9V165 A166 A173 I179 I182V165-K169 WeakPolarHBondContact O-CB 3.01Å; V165-K169 PolarHBondContact O-N 3.17Å; A166-K169 PolarHBondContact O-N 3.04Å; K169-A173 WeakPolarHBondContact O-CB 3.2Å; K169-A173 PolarHBondContact O-N 2.82Å; K169-I179 HydrophobicContact CG-CG2 4.39Å; K169-I182 HydrophobicContact CB-CD1 3.87Å
170D97.7Very high97.7Very high107 Ų10763 Ų6357%0.57233%0.327SS*.Hα-helixtrans-74.3-39.5-175.2-64.1-15.7000111.3A166 F168 A173 R174A166-D170 VanDerWaalsContact O-CB 3.28Å; A166-D170 WeakPolarHBondContact O-CB 3.44Å; A166-D170 PolarHBondContact O-N 3Å; F168-D170 PolarHBondContact O-N 3.04Å; D170-A173 PolarHBondContact O-N 3.23Å; D170-R174 WeakPolarHBondContact O-CB 3.17Å; D170-R174 PolarHBondContact O-N 2.96Å
171A97.5Very high97.8Very high20 Ų2059.6 Ų59.617%0.16531%0.308CS..Hα-helixtrans-67.6-43.9179.700000111.6L154 I156 D167 F168 R174 V175L154-A171 HydrophobicContact CD1-CB 3.6Å; L154-A171 HydrophobicContact CD2-CB 4.4Å; L154-A171 HydrophobicContact CG-CB 4.43Å; I156-A171 HydrophobicContact CD1-CB 3.96Å; D167-A171 WeakPolarHBondContact O-CB 3.44Å; F168-A171 PolarHBondContact O-N 2.88Å; A171-R174 PolarHBondContact O-N 2.99Å; A171-V175 WeakPolarHBondContact O-CG2 3.36Å; A171-V175 PolarHBondContact O-N 3.05Å
172L98.3Very high97.9Very high0 Ų054.7 Ų54.70%028%0.281CS..Hα-helixtrans-68.7-39.8175.9-65.5-180000111.6L147 V150 L151 F168 R174 V175 Y176 P180 I199L147-L172 HydrophobicContact CD1-CD1 4.11Å; L147-L172 HydrophobicContact CD1-CD2 3.72Å; V150-L172 HydrophobicContact CG1-CD2 3.74Å; L151-L172 HydrophobicContact CD2-CD1 4.37Å; L151-L172 HydrophobicContact CD2-CD2 3.78Å; L151-L172 HydrophobicContact CD2-CG 4.24Å; L151-L172 HydrophobicContact CG-CD2 4.28Å; F168-L172 VanDerWaalsContact O-CB 3.24Å; F168-L172 WeakPolarHBondContact O-CB 3.38Å; F168-L172 WeakPolarHBondContact O-CG 3.41Å; F168-L172 PolarHBondContact O-N 3.25Å; L172-R174 VanDerWaalsContact C-N 3.27Å; L172-R174 PolarHBondContact O-N 3.01Å; L172-V175 PolarHBondContact O-N 3.33Å; L172-V175 VanDerWaalsContact O-N 3.17Å; L172-Y176 HydrophobicContact CB-CD2 4.22Å; L172-Y176 HydrophobicContact CB-CE2 4.47Å; L172-Y176 HydrophobicContact CD2-CD2 4.46Å; L172-Y176 HydrophobicContact CD2-CE2 3.92Å; L172-Y176 WeakPolarHBondContact O-CB 3.48Å; L172-Y176 WeakPolarHBondContact O-CD2 3.34Å; L172-Y176 PolarHBondContact O-N 3.19Å; L172-P180 HydrophobicContact CB-CG 3.86Å; L172-P180 HydrophobicContact CD1-CG 4.21Å; L172-I199 HydrophobicContact CD1-CD1 3.89Å; L172-I199 HydrophobicContact CD1-CG2 4.22Å
173A98Very high97.9Very high16 Ų1649.9 Ų49.913%0.13226%0.263CS..Hα-helixtrans-59.3-39.5173.800000112.4K169 D170 G177 V178 I179K169-A173 WeakPolarHBondContact O-CB 3.2Å; K169-A173 PolarHBondContact O-N 2.82Å; D170-A173 PolarHBondContact O-N 3.23Å; A173-G177 VanDerWaalsContact O-CA 3.25Å; A173-G177 WeakPolarHBondContact O-CA 3.16Å; A173-G177 PolarHBondContact O-N 2.88Å; A173-V178 VanDerWaalsContact CA-O 3.31Å; A173-V178 WeakPolarHBondContact CA-O 3.45Å; A173-I179 HydrophobicContact CB-CD1 3.63Å
174R98.1Very high97.9Very high224 Ų22448.2 Ų48.285%0.84526%0.257SS*.Hα-helixtrans-65.7-36176.2-177.4178.1178.9-175.80.7113D170 A171 L172D170-R174 WeakPolarHBondContact O-CB 3.17Å; D170-R174 PolarHBondContact O-N 2.96Å; A171-R174 PolarHBondContact O-N 2.99Å; L172-R174 VanDerWaalsContact C-N 3.27Å; L172-R174 PolarHBondContact O-N 3.01Å
175V98.4Very high97.8Very high70 Ų7046.3 Ų46.342%0.42425%0.249SC..Hα-helixtrans-79.7-47-178.2172.10000111.5V150 L154 A171 L172V150-V175 HydrophobicContact CG1-CB 4.14Å; V150-V175 HydrophobicContact CG1-CG1 3.83Å; V150-V175 HydrophobicContact CG1-CG2 4.09Å; V150-V175 HydrophobicContact CG2-CG1 3.96Å; L154-V175 HydrophobicContact CD1-CG2 4Å; L154-V175 HydrophobicContact CD2-CG2 4.5Å; A171-V175 WeakPolarHBondContact O-CG2 3.36Å; A171-V175 PolarHBondContact O-N 3.05Å; L172-V175 PolarHBondContact O-N 3.33Å; L172-V175 VanDerWaalsContact O-N 3.17Å
176Y98.3Very high97.6Very high26 Ų2649.8 Ų49.810%0.10227%0.272CS..Hα-helixtrans-89.4-12.7-174.9-64.6-52.6000113.8L145 L147 V150 L172 V178 L201 L210L145-Y176 HydrophobicContact CB-CE1 4.4Å; L145-Y176 HydrophobicContact CD2-CD1 4.26Å; L145-Y176 HydrophobicContact CD2-CE1 4.03Å; L145-Y176 WeakPolarHBondContact O-CE1 3.49Å; L145-Y176 PolarHBondContact O-OH 3.49Å; L147-Y176 VanDerWaalsContact CA-OH 3.31Å; L147-Y176 WeakPolarHBondContact CA-OH 3.34Å; L147-Y176 HydrophobicContact CD1-CE2 4.35Å; V150-Y176 HydrophobicContact CG2-CE1 4.48Å; L172-Y176 HydrophobicContact CB-CD2 4.22Å; L172-Y176 HydrophobicContact CB-CE2 4.47Å; L172-Y176 HydrophobicContact CD2-CD2 4.46Å; L172-Y176 HydrophobicContact CD2-CE2 3.92Å; L172-Y176 WeakPolarHBondContact O-CB 3.48Å; L172-Y176 WeakPolarHBondContact O-CD2 3.34Å; L172-Y176 PolarHBondContact O-N 3.19Å; Y176-V178 PolarHBondContact O-N 3.07Å; Y176-L201 HydrophobicContact CD2-CD1 3.91Å; Y176-L201 HydrophobicContact CD2-CD2 3.86Å; Y176-L201 HydrophobicContact CE2-CD1 3.72Å; Y176-L201 HydrophobicContact CE2-CD2 4.43Å; Y176-L201 HydrophobicContact CG-CD1 4.4Å; Y176-L201 HydrophobicContact CG-CD2 4.32Å; Y176-L210 HydrophobicContact CD1-CD1 3.89Å; Y176-L210 HydrophobicContact CG-CD1 4.26Å
177G98.1Very high97.3Very high63 Ų6350.9 Ų50.965%0.64928%0.276SS*.SBendtrans70.79.4-177.900000114.3A173A173-G177 VanDerWaalsContact O-CA 3.25Å; A173-G177 WeakPolarHBondContact O-CA 3.16Å; A173-G177 PolarHBondContact O-N 2.88Å
178V97.4Very high96.7Very high12 Ų1250.4 Ų50.47%0.07328%0.278CS..SBendtrans-139.2152.7-179.5-61.30000110.2A173 Y176 P180 L201 L210 N212A173-V178 VanDerWaalsContact CA-O 3.31Å; A173-V178 WeakPolarHBondContact CA-O 3.45Å; Y176-V178 PolarHBondContact O-N 3.07Å; V178-P180 VanDerWaalsContact O-CD 3.32Å; V178-P180 WeakPolarHBondContact O-CD 3.49Å; V178-L201 HydrophobicContact CG2-CD2 4.09Å; V178-L210 HydrophobicContact CG1-CB 4.15Å; V178-L210 HydrophobicContact CG2-CB 4.13Å; V178-L210 HydrophobicContact CG2-CD2 3.85Å; V178-L210 HydrophobicContact CG2-CG 4.47Å; V178-N212 WeakPolarHBondContact CA-OD1 3.15Å
179I96.5Very high95.6Very high85 Ų8560 Ų6044%0.43632%0.323SS..  trans-81.5115.7-179.2-52.3-53.9000109.8K169 A173 N212K169-I179 HydrophobicContact CG-CG2 4.39Å; A173-I179 HydrophobicContact CB-CD1 3.63Å; I179-N212 PolarHBondContact N-OD1 3.35Å
180P97.1Very high94.8Very high6 Ų664 Ų644%0.03935%0.348CS..  trans-72153.6173.232.2-35.8000110.6L172 V178 I182 I199 E200 L201L172-P180 HydrophobicContact CB-CG 3.86Å; L172-P180 HydrophobicContact CD1-CG 4.21Å; V178-P180 VanDerWaalsContact O-CD 3.32Å; V178-P180 WeakPolarHBondContact O-CD 3.49Å; P180-I182 HydrophobicContact CG-CG1 4.43Å; P180-I199 HydrophobicContact CB-CG2 4.22Å; P180-E200 WeakPolarHBondContact CA-O 3.5Å; P180-L201 HydrophobicContact CB-CD2 3.9Å
181K97.6Very high94.2Very high69 Ų6963 Ų6330%0.334%0.34SS..EExtended strand (participates in β ladder)trans-92.9125.6163169.1170.3161.3-117.20108.4Q183 I199 E200 V240K181-Q183 HydrophobicContact CG-CG 4.34Å; K181-I199 WeakPolarHBondContact O-CA 3.36Å; K181-E200 HydrophobicContact CB-CB 4.08Å; K181-E200 VanDerWaalsContact CD-OE2 3.3Å; K181-E200 WeakPolarHBondContact CD-OE2 3.49Å; K181-E200 PolarHBondContact N-O 2.9Å; K181-E200 IonicContact NZ-OE1 3Å; K181-E200 PolarHBondContact NZ-OE1 3.43Å; K181-E200 IonicContact NZ-OE2 2.98Å; K181-E200 PolarHBondContact NZ-OE2 3.27Å; K181-E200 PolarHBondContact O-N 2.99Å; K181-V240 HydrophobicContact CD-CG2 4.3Å; K181-V240 HydrophobicContact CG-CG2 4.47Å
182I98Very high93.7Very high11 Ų1170.1 Ų70.16%0.05637%0.37CS..EExtended strand (participates in β ladder)trans-110.8130.8-179.6-48.5178.3000107.3V165 F168 K169 P180 V196 I199 C241V165-I182 HydrophobicContact CG1-CD1 4.42Å; F168-I182 HydrophobicContact CB-CD1 3.47Å; F168-I182 VanDerWaalsContact CB-CD1 3.47Å; K169-I182 HydrophobicContact CB-CD1 3.87Å; P180-I182 HydrophobicContact CG-CG1 4.43Å; I182-V196 HydrophobicContact CG2-CG2 3.66Å; I182-I199 HydrophobicContact CG2-CG1 4.31Å; I182-C241 VanDerWaalsContact CG2-SG 3.51Å; I182-C241 PolarHBondContact O-N 3.42Å
183Q98Very high93.5Very high16 Ų1671 Ų718%0.07538%0.375CS..EExtended strand (participates in β ladder)trans-122.1142.9179.6-67.4172.5-56.500112K181 G197 Q198 E200 L238 R239K181-Q183 HydrophobicContact CG-CG 4.34Å; Q183-G197 PolarHBondContact O-N 3.4Å; Q183-Q198 HydrophobicContact CB-CB 4.14Å; Q183-Q198 PolarHBondContact N-O 3.32Å; Q183-Q198 PolarHBondContact O-N 3.26Å; Q183-Q198 VanDerWaalsContact OE1-CD 3.29Å; Q183-E200 PolarHBondContact OE1-OE1 3.37Å; Q183-L238 HydrophobicContact CB-CB 4.26Å; Q183-L238 HydrophobicContact CB-CD2 4.47Å; Q183-R239 CarbonylContact C-O 3.51Å; Q183-R239 WeakPolarHBondContact CA-O 3.42Å; Q183-R239 WeakPolarHBondContact CB-O 2.94Å
184C97.8Very high93.5Very high3 Ų371.2 Ų71.22%0.0237%0.374CS..EExtended strand (participates in β ladder)trans-128.1151.8-174.6-70.70000110.4Q194 T195 L238 R239 C241C184-Q194 HydrophobicContact CB-CB 3.91Å; C184-Q194 HydrophobicContact CB-CG 4.04Å; C184-Q194 PolarHBondContact SG-OE1 3.42Å; C184-T195 CarbonylContact C-O 3.57Å; C184-T195 WeakPolarHBondContact CA-O 3.43Å; C184-T195 WeakPolarHBondContact CB-O 3.44Å; C184-L238 WeakPolarHBondContact O-CA 3.29Å; C184-R239 PolarHBondContact N-O 2.85Å; C184-R239 PolarHBondContact O-N 3.1Å; C184-C241 HydrophobicContact CB-CB 3.95Å; C184-C241 WeakPolarHBondContact CB-SG 3.46Å; C184-C241 PolarHBondContact N-SG 3.35Å; C184-C241 WeakPolarHBondContact SG-CB 3.49Å; C184-C241 CovalentContact SG-SG 2.03Å; C184-C241 PolarHBondContact SG-SG 3.01Å
185L95.3Very high93.5Very high47 Ų4761.1 Ų61.125%0.24634%0.337CS..EExtended strand (participates in β ladder)trans-77.6135.1157.8-67-179.5000108T46 Q194 T195 L238T46-L185 HydrophobicContact CG2-CD1 3.72Å; T46-L185 HydrophobicContact CG2-CG 3.94Å; T46-L185 WeakPolarHBondContact O-CD1 3.4Å; L185-Q194 WeakPolarHBondContact O-CA 2.84Å; L185-Q194 WeakPolarHBondContact O-CB 3.41Å; L185-T195 PolarHBondContact N-O 3.37Å; L185-T195 PolarHBondContact O-N 3.41Å; L185-L238 HydrophobicContact CD2-CD2 3.89Å; L185-L238 HydrophobicContact CD2-CG 4.03Å; L185-L238 HydrophobicContact CG-CD2 3.98Å
186P94.1Very high93.5Very high80 Ų8057.8 Ų57.852%0.51932%0.317SS..PPolyproline II helixtrans-62.5156.2172.729-34.7000110.1S188 G237P186-S188 PolarHBondContact O-N 2.74Å; P186-G237 WeakPolarHBondContact CD-O 3.32Å
187P92.3Very high93.4Very high62 Ų6256.6 Ų56.640%0.40331%0.312SS..PPolyproline II helixtrans-55.5131.1175.6-7.513.6000110.7E191P187-E191 HydrophobicContact CB-CB 4.09Å; P187-E191 VanDerWaalsContact CB-O 3.22Å; P187-E191 WeakPolarHBondContact CB-O 3.38Å
188S85.6Confident93.4Very high64 Ų6453.9 Ų53.945%0.44828%0.282SS..PPolyproline II helixtrans-73.8173.8167.463.20000111.1P186 D190 E191P186-S188 PolarHBondContact O-N 2.74Å; S188-D190 PolarHBondContact O-N 3.19Å; S188-E191 PolarHBondContact N-OE2 3.19Å; S188-E191 VanDerWaalsContact N-OE2 3.1Å; S188-E191 PolarHBondContact O-N 3.3Å; S188-E191 WeakPolarHBondContact OG-CG 3.45Å; S188-E191 PolarHBondContact OG-OE2 3.3Å
189Q76.1Confident93.5Very high202 Ų20253.3 Ų53.394%0.94428%0.279SS*.THydrogen-bonded Turntrans-55-25.4-172.6-77.1-174.3-3.200114.8
190D81Confident93.6Very high162 Ų16249.7 Ų49.787%0.86626%0.26SS*.THydrogen-bonded Turntrans-107.35.8-177.9-60.5-47.7000113.3S188S188-D190 PolarHBondContact O-N 3.19Å
191E84.8Confident93.7Very high84 Ų8449.4 Ų49.439%0.39326%0.258SS..  trans-111.4140.6-178.9-69.4171.5155.100111P187 S188P187-E191 HydrophobicContact CB-CB 4.09Å; P187-E191 VanDerWaalsContact CB-O 3.22Å; P187-E191 WeakPolarHBondContact CB-O 3.38Å; S188-E191 PolarHBondContact N-OE2 3.19Å; S188-E191 VanDerWaalsContact N-OE2 3.1Å; S188-E191 PolarHBondContact O-N 3.3Å; S188-E191 WeakPolarHBondContact OG-CG 3.45Å; S188-E191 PolarHBondContact OG-OE2 3.3Å
192E86.4Confident93.7Very high170 Ų17046.2 Ų46.279%0.79425%0.245SC*.SBendtrans-90-21.3-178.7-63.2-174.6175.100113.1
193V95.9Very high93.7Very high19 Ų1945.7 Ų45.712%0.11524%0.242CC..SBendtrans-134.5155.5-171.8-56.10000111.2Y162 P245 F247Y162-V193 HydrophobicContact CD1-CG2 3.8Å; Y162-V193 HydrophobicContact CD2-CG1 3.92Å; Y162-V193 HydrophobicContact CD2-CG2 4.24Å; Y162-V193 HydrophobicContact CE1-CG2 3.51Å; Y162-V193 HydrophobicContact CE2-CG1 3.73Å; Y162-V193 HydrophobicContact CE2-CG2 3.96Å; Y162-V193 HydrophobicContact CG-CG2 4.16Å; V193-P245 HydrophobicContact CB-CB 4.4Å; V193-P245 HydrophobicContact CG1-CB 3.76Å; V193-F247 HydrophobicContact CG2-CB 3.78Å
194Q97.4Very high93.8Very high21 Ų2146.9 Ų46.910%0.09825%0.25CS..EExtended strand (participates in β ladder)trans-66.3155.117367.8-169.1-45.100111.3C184 L185 E242 P245 V246 F247C184-Q194 HydrophobicContact CB-CB 3.91Å; C184-Q194 HydrophobicContact CB-CG 4.04Å; C184-Q194 PolarHBondContact SG-OE1 3.42Å; L185-Q194 WeakPolarHBondContact O-CA 2.84Å; L185-Q194 WeakPolarHBondContact O-CB 3.41Å; Q194-E242 PolarHBondContact NE2-O 3.25Å; Q194-P245 PolarHBondContact NE2-O 2.87Å; Q194-V246 HydrophobicContact CG-CB 4.16Å; Q194-V246 HydrophobicContact CG-CG2 4.06Å; Q194-V246 WeakPolarHBondContact O-CA 3.5Å; Q194-F247 PolarHBondContact O-N 3.25Å
195T97.3Very high93.7Very high11 Ų1148.5 Ų48.57%0.06726%0.257CS..EExtended strand (participates in β ladder)trans-116.2122.5-177.3-59.10000110.4T46 C184 L185 G197 F247 P249T46-T195 HydrophobicContact CG2-CG2 3.72Å; T46-T195 WeakPolarHBondContact OG1-CG2 3.45Å; C184-T195 CarbonylContact C-O 3.57Å; C184-T195 WeakPolarHBondContact CA-O 3.43Å; C184-T195 WeakPolarHBondContact CB-O 3.44Å; L185-T195 PolarHBondContact N-O 3.37Å; L185-T195 PolarHBondContact O-N 3.41Å; T195-G197 PolarHBondContact O-N 2.96Å; T195-F247 WeakPolarHBondContact CA-O 3.16Å; T195-F247 HydrophobicContact CG2-CD1 4.12Å; T195-P249 HydrophobicContact CG2-CG 3.77Å
196V98.2Very high93.8Very high1 Ų151.4 Ų51.41%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-65.2128.9-178.872.80000110.6T46 W62 F168 I182 V246 F247 Y248T46-V196 WeakPolarHBondContact CB-O 3.46Å; T46-V196 WeakPolarHBondContact CG2-O 3.3Å; T46-V196 PolarHBondContact OG1-O 2.89Å; W62-V196 HydrophobicContact CH2-CG1 4.49Å; W62-V196 HydrophobicContact CH2-CG2 4.02Å; W62-V196 HydrophobicContact CZ2-CG1 4.43Å; F168-V196 HydrophobicContact CZ-CG1 4.28Å; I182-V196 HydrophobicContact CG2-CG2 3.66Å; V196-V246 HydrophobicContact CB-CG2 3.72Å; V196-F247 PolarHBondContact N-O 3.46Å; V196-Y248 HydrophobicContact CG1-CD2 3.64Å; V196-Y248 HydrophobicContact CG1-CE2 4.5Å; V196-Y248 HydrophobicContact CG1-CG 4.05Å
197G97.3Very high93.9Very high0 Ų052.8 Ų52.80%027%0.273CS..EExtended strand (participates in β ladder)trans-130.6-29.4-173.500000115H42 W43 Q183 T195H42-G197 CarbonylContact C-O 3.44Å; H42-G197 WeakPolarHBondContact CA-O 3.27Å; H42-G197 WeakPolarHBondContact CB-O 3.48Å; W43-G197 PolarHBondContact N-O 3.38Å; Q183-G197 PolarHBondContact O-N 3.4Å; T195-G197 PolarHBondContact O-N 2.96Å
198Q98.5Very high94.1Very high7 Ų750.3 Ų50.33%0.03326%0.255CS..EExtended strand (participates in β ladder)trans-147.7141.1-176.1175163.9-63.700112V40 Q41 H42 H65 Q183 E200 L238V40-Q198 HydrophobicContact CG1-CG 3.57Å; V40-Q198 VanDerWaalsContact CG1-OE1 3.28Å; Q41-Q198 CarbonylContact O-C 3.49Å; Q41-Q198 WeakPolarHBondContact O-CA 3.04Å; H42-Q198 HydrophobicContact CB-CB 4.36Å; H65-Q198 PolarHBondContact ND1-OE1 2.87Å; Q183-Q198 HydrophobicContact CB-CB 4.14Å; Q183-Q198 PolarHBondContact N-O 3.32Å; Q183-Q198 PolarHBondContact O-N 3.26Å; Q183-Q198 VanDerWaalsContact OE1-CD 3.29Å; Q198-E200 HydrophobicContact CG-CG 4.27Å; Q198-E200 PolarHBondContact NE2-OE1 3.04Å; Q198-E200 VanDerWaalsContact NE2-OE1 3.15Å; Q198-L238 HydrophobicContact CB-CD1 3.86Å
199I98.7Very high94.8Very high0 Ų052.6 Ų52.60%026%0.259CS..EExtended strand (participates in β ladder)trans-124.3127.5173.9-68.7169.5000108Q41 W62 L147 F168 L172 P180 K181 I182Q41-I199 PolarHBondContact N-O 3.29Å; Q41-I199 PolarHBondContact O-N 2.99Å; W62-I199 HydrophobicContact CE3-CD1 4.4Å; W62-I199 HydrophobicContact CH2-CD1 3.57Å; W62-I199 HydrophobicContact CH2-CG1 3.76Å; W62-I199 HydrophobicContact CZ2-CD1 3.7Å; W62-I199 HydrophobicContact CZ2-CG1 4.41Å; W62-I199 HydrophobicContact CZ3-CB 4.21Å; W62-I199 HydrophobicContact CZ3-CD1 3.94Å; W62-I199 HydrophobicContact CZ3-CG1 3.86Å; L147-I199 HydrophobicContact CD1-CD1 4.29Å; L147-I199 HydrophobicContact CD2-CB 4.17Å; L147-I199 HydrophobicContact CD2-CD1 4.03Å; L147-I199 HydrophobicContact CD2-CG2 4.27Å; F168-I199 HydrophobicContact CD1-CD1 4.33Å; L172-I199 HydrophobicContact CD1-CD1 3.89Å; L172-I199 HydrophobicContact CD1-CG2 4.22Å; P180-I199 HydrophobicContact CB-CG2 4.22Å; K181-I199 WeakPolarHBondContact O-CA 3.36Å; I182-I199 HydrophobicContact CG2-CG1 4.31Å
200E98.6Very high95.8Very high8 Ų845.7 Ų45.74%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-115129.4-179.8-68176.9-16500110.2I38 M39 V40 P180 K181 Q183 Q198I38-E200 HydrophobicContact CG2-CB 3.68Å; I38-E200 HydrophobicContact CG2-CG 3.93Å; M39-E200 WeakPolarHBondContact O-CA 3.3Å; V40-E200 HydrophobicContact CG1-CG 4.11Å; V40-E200 HydrophobicContact CG2-CG 4.14Å; P180-E200 WeakPolarHBondContact CA-O 3.5Å; K181-E200 HydrophobicContact CB-CB 4.08Å; K181-E200 VanDerWaalsContact CD-OE2 3.3Å; K181-E200 WeakPolarHBondContact CD-OE2 3.49Å; K181-E200 PolarHBondContact N-O 2.9Å; K181-E200 IonicContact NZ-OE1 3Å; K181-E200 PolarHBondContact NZ-OE1 3.43Å; K181-E200 IonicContact NZ-OE2 2.98Å; K181-E200 PolarHBondContact NZ-OE2 3.27Å; K181-E200 PolarHBondContact O-N 2.99Å; Q183-E200 PolarHBondContact OE1-OE1 3.37Å; Q198-E200 HydrophobicContact CG-CG 4.27Å; Q198-E200 PolarHBondContact NE2-OE1 3.04Å; Q198-E200 VanDerWaalsContact NE2-OE1 3.15Å
201L98.6Very high96.6Very high0 Ų040.1 Ų40.10%020%0.197CC..EExtended strand (participates in β ladder)trans-119.4125.1172.5-71.9165.3000109.2M39 L145 Y176 V178 P180 L210M39-L201 PolarHBondContact N-O 3.48Å; M39-L201 PolarHBondContact O-N 3.08Å; L145-L201 HydrophobicContact CD1-CD1 4.07Å; L145-L201 HydrophobicContact CD2-CD1 4.11Å; Y176-L201 HydrophobicContact CD2-CD1 3.91Å; Y176-L201 HydrophobicContact CD2-CD2 3.86Å; Y176-L201 HydrophobicContact CE2-CD1 3.72Å; Y176-L201 HydrophobicContact CE2-CD2 4.43Å; Y176-L201 HydrophobicContact CG-CD1 4.4Å; Y176-L201 HydrophobicContact CG-CD2 4.32Å; V178-L201 HydrophobicContact CG2-CD2 4.09Å; P180-L201 HydrophobicContact CB-CD2 3.9Å; L201-L210 HydrophobicContact CB-CD2 4.02Å; L201-L210 HydrophobicContact CD1-CD2 4.38Å; L201-L210 HydrophobicContact CD2-CD2 4.17Å; L201-L210 HydrophobicContact CG-CD2 4.43Å
202C98.4Very high97.1Very high2 Ų239.5 Ų39.51%0.01420%0.197CC..EExtended strand (participates in β ladder)trans-83.4145.1178.7-700000112.2K36 L37 Q211 C213K36-C202 HydrophobicContact CD-CB 4.09Å; L37-C202 CarbonylContact O-C 3.41Å; L37-C202 VanDerWaalsContact O-CA 3.31Å; L37-C202 WeakPolarHBondContact O-CA 3.4Å; C202-Q211 HydrophobicContact CB-CG 4.14Å; C202-Q211 WeakPolarHBondContact CB-O 3.4Å; C202-Q211 PolarHBondContact O-N 2.67Å; C202-Q211 VanDerWaalsContact O-O 3.07Å; C202-C213 HydrophobicContact CB-CB 3.96Å; C202-C213 WeakPolarHBondContact CB-SG 3.39Å; C202-C213 WeakPolarHBondContact SG-CA 3.1Å; C202-C213 WeakPolarHBondContact SG-CB 3.46Å; C202-C213 CovalentContact SG-SG 2.03Å; C202-C213 PolarHBondContact SG-SG 2.89Å
203L98.6Very high97.2Very high1 Ų132.6 Ų32.61%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-130.2144.9-175.5-54.6173.1000110.3K36 L37 M39 L67 L141 Q208 Q209 L210K36-L203 WeakPolarHBondContact CA-O 3.37Å; K36-L203 WeakPolarHBondContact CB-O 3.35Å; L37-L203 HydrophobicContact CB-CB 4.14Å; L37-L203 PolarHBondContact N-O 2.98Å; L37-L203 PolarHBondContact O-N 2.65Å; M39-L203 HydrophobicContact CB-CD1 3.88Å; M39-L203 HydrophobicContact CB-CG 4.45Å; L67-L203 HydrophobicContact CD1-CD1 3.99Å; L141-L203 HydrophobicContact CD1-CD1 3.63Å; L141-L203 HydrophobicContact CD2-CD1 3.87Å; L141-L203 HydrophobicContact CG-CD1 4.32Å; L203-Q208 HydrophobicContact CB-CB 4.38Å; L203-Q208 HydrophobicContact CD1-CB 4.28Å; L203-Q209 CarbonylContact C-O 3.25Å; L203-Q209 WeakPolarHBondContact CA-O 3.48Å; L203-L210 HydrophobicContact CD2-CD2 3.9Å; L203-L210 HydrophobicContact CD2-CG 4.18Å
204T98.3Very high96.6Very high41 Ų4136.9 Ų36.925%0.25219%0.193SC..EExtended strand (participates in β ladder)trans-61.5144.9174.662.10000110.5Q206 Q208 Q209 Q211T204-Q206 PolarHBondContact O-N 3.13Å; T204-Q208 VanDerWaalsContact O-CA 3.23Å; T204-Q208 WeakPolarHBondContact O-CA 2.98Å; T204-Q208 PolarHBondContact O-N 2.89Å; T204-Q208 VanDerWaalsContact O-N 3.1Å; T204-Q208 PolarHBondContact OG1-N 3.4Å; T204-Q209 HydrophobicContact CG2-CB 4.41Å; T204-Q209 PolarHBondContact N-O 2.89Å; T204-Q209 PolarHBondContact OG1-N 2.96Å; T204-Q211 VanDerWaalsContact CA-OE1 3.26Å; T204-Q211 HydrophobicContact CG2-CB 4.19Å; T204-Q211 HydrophobicContact CG2-CG 4.28Å
205K97.3Very high95.2Very high37 Ų3741.2 Ų41.216%0.16121%0.213CC..THydrogen-bonded Turntrans-56.5-50.9-175.7174.2158.9-169.4171.60113W34 K35 V125 Q208W34-K205 HydrophobicContact CD2-CD 4.17Å; W34-K205 HydrophobicContact CE3-CB 4.5Å; W34-K205 HydrophobicContact CE3-CD 3.81Å; W34-K205 HydrophobicContact CE3-CG 4.13Å; W34-K205 HydrophobicContact CH2-CB 4.32Å; W34-K205 HydrophobicContact CH2-CD 3.92Å; W34-K205 HydrophobicContact CH2-CG 3.56Å; W34-K205 HydrophobicContact CZ2-CD 4.24Å; W34-K205 HydrophobicContact CZ2-CG 4.26Å; W34-K205 HydrophobicContact CZ3-CB 3.8Å; W34-K205 HydrophobicContact CZ3-CD 3.65Å; W34-K205 HydrophobicContact CZ3-CG 3.44Å; W34-K205 VanDerWaalsContact CZ3-CG 3.44Å; W34-K205 WeakPolarHBondContact O-CD 3.03Å; W34-K205 PolarHBondContact O-NZ 3.2Å; K35-K205 WeakPolarHBondContact O-CB 3.45Å; V125-K205 HydrophobicContact CG2-CD 4.45Å; V125-K205 HydrophobicContact CG2-CG 3.6Å; V125-K205 WeakPolarHBondContact CG2-O 3.42Å; K205-Q208 PolarHBondContact O-NE2 3.32Å
206Q96Very high93.1Very high108 Ų10847.5 Ų47.551%0.50525%0.254SS..THydrogen-bonded Turntrans-83.3-44.6-168.1-62.1-60-1900114.2T204 Q208T204-Q206 PolarHBondContact O-N 3.13Å; Q206-Q208 PolarHBondContact O-NE2 3.07Å
207D96.1Very high90.8Very high109 Ų10951 Ų5158%0.58329%0.29SS*.THydrogen-bonded Turntrans-111.61-171.6-53.4-46.3000113.4Q209D207-Q209 HydrophobicContact CB-CG 4.03Å; D207-Q209 PolarHBondContact O-N 3.05Å; D207-Q209 PolarHBondContact O-NE2 3.21Å; D207-Q209 VanDerWaalsContact O-NE2 3.16Å
208Q98.2Very high88.8Confident9 Ų953.6 Ų53.64%0.04230%0.303CS..  trans51.539.6179.7-57.280.858.100113.2L37 L141 L203 T204 K205 Q206L37-Q208 HydrophobicContact CD1-CG 3.7Å; L141-Q208 HydrophobicContact CD1-CB 4.14Å; L141-Q208 HydrophobicContact CD1-CG 4.36Å; L141-Q208 HydrophobicContact CD2-CB 4.03Å; L203-Q208 HydrophobicContact CB-CB 4.38Å; L203-Q208 HydrophobicContact CD1-CB 4.28Å; T204-Q208 VanDerWaalsContact O-CA 3.23Å; T204-Q208 WeakPolarHBondContact O-CA 2.98Å; T204-Q208 PolarHBondContact O-N 2.89Å; T204-Q208 VanDerWaalsContact O-N 3.1Å; T204-Q208 PolarHBondContact OG1-N 3.4Å; K205-Q208 PolarHBondContact O-NE2 3.32Å; Q206-Q208 PolarHBondContact O-NE2 3.07Å
209Q98.4Very high86.3Confident112 Ų11261 Ų6152%0.52334%0.337SS..  trans-86.7148.2174.9-61.6-57.9-48.800110.3L203 T204 D207 Q211L203-Q209 CarbonylContact C-O 3.25Å; L203-Q209 WeakPolarHBondContact CA-O 3.48Å; T204-Q209 HydrophobicContact CG2-CB 4.41Å; T204-Q209 PolarHBondContact N-O 2.89Å; T204-Q209 PolarHBondContact OG1-N 2.96Å; D207-Q209 HydrophobicContact CB-CG 4.03Å; D207-Q209 PolarHBondContact O-N 3.05Å; D207-Q209 PolarHBondContact O-NE2 3.21Å; D207-Q209 VanDerWaalsContact O-NE2 3.16Å; Q209-Q211 PolarHBondContact O-N 3.14Å
210L98.5Very high83.8Confident58 Ų5864 Ų6430%0.30436%0.357SS..EExtended strand (participates in β ladder)trans-56133179.3-75.8161.8000112.1L145 Y176 V178 L201 L203L145-L210 HydrophobicContact CD2-CD1 3.95Å; L145-L210 HydrophobicContact CD2-CD2 3.9Å; L145-L210 HydrophobicContact CD2-CG 4.13Å; Y176-L210 HydrophobicContact CD1-CD1 3.89Å; Y176-L210 HydrophobicContact CG-CD1 4.26Å; V178-L210 HydrophobicContact CG1-CB 4.15Å; V178-L210 HydrophobicContact CG2-CB 4.13Å; V178-L210 HydrophobicContact CG2-CD2 3.85Å; V178-L210 HydrophobicContact CG2-CG 4.47Å; L201-L210 HydrophobicContact CB-CD2 4.02Å; L201-L210 HydrophobicContact CD1-CD2 4.38Å; L201-L210 HydrophobicContact CD2-CD2 4.17Å; L201-L210 HydrophobicContact CG-CD2 4.43Å; L203-L210 HydrophobicContact CD2-CD2 3.9Å; L203-L210 HydrophobicContact CD2-CG 4.18Å
211Q97.2Very high81.2Confident44 Ų4465.3 Ų65.321%0.20637%0.367CS..EExtended strand (participates in β ladder)trans-141.9162.3170.763.7162.887.700110.9C202 T204 Q209C202-Q211 HydrophobicContact CB-CG 4.14Å; C202-Q211 WeakPolarHBondContact CB-O 3.4Å; C202-Q211 PolarHBondContact O-N 2.67Å; C202-Q211 VanDerWaalsContact O-O 3.07Å; T204-Q211 VanDerWaalsContact CA-OE1 3.26Å; T204-Q211 HydrophobicContact CG2-CB 4.19Å; T204-Q211 HydrophobicContact CG2-CG 4.28Å; Q209-Q211 PolarHBondContact O-N 3.14Å
212N95.6Very high78.4Confident72 Ų7270.4 Ų70.439%0.38540%0.4SS..  trans-65.3145.9170-71.9-53.7000111V178 I179V178-N212 WeakPolarHBondContact CA-OD1 3.15Å; I179-N212 PolarHBondContact N-OD1 3.35Å
213C88.4Confident75.9Confident24 Ų2477.9 Ų77.916%0.16243%0.432CS..SBendtrans-75.6-25.3177.7-70.10000113.7K36 C202K36-C213 WeakPolarHBondContact CE-O 3.47Å; K36-C213 PolarHBondContact NZ-O 2.74Å; C202-C213 HydrophobicContact CB-CB 3.96Å; C202-C213 WeakPolarHBondContact CB-SG 3.39Å; C202-C213 WeakPolarHBondContact SG-CA 3.1Å; C202-C213 WeakPolarHBondContact SG-CB 3.46Å; C202-C213 CovalentContact SG-SG 2.03Å; C202-C213 PolarHBondContact SG-SG 2.89Å
214T84.1Confident73.3Confident110 Ų11080.9 Ų80.968%0.67545%0.446SS*.SBendtrans-112.9130.5175.447.10000109.4
215E66.4Low70.3Confident111 Ų11184.6 Ų84.652%0.51946%0.461SS..  trans-83.7143.4166-67.4-170.6179.700109.7G217 E218E215-G217 PolarHBondContact O-N 3.47Å; E215-E218 HydrophobicContact CB-CB 4.31Å; E215-E218 PolarHBondContact O-N 2.81Å; E215-E218 VanDerWaalsContact O-N 3.1Å
216P53.3Low67.2Low143 Ų14385.2 Ų85.293%0.92947%0.473SS*.THydrogen-bonded Turntrans-56.8110.8171.7-20.831.5000110.4
217G51.4Low64.3Low74 Ų7486.4 Ų86.476%0.76347%0.473SS*.THydrogen-bonded Turntrans100.12.5179.300000116.2E215 Q219E215-G217 PolarHBondContact O-N 3.47Å; G217-Q219 PolarHBondContact O-N 2.83Å
218E54.5Low61.6Low56 Ų5687.5 Ų87.526%0.26248%0.478SS..  trans-74.1105.1172.8-166169.5-162.200110.4K71 E215K71-E218 IonicContact NZ-OE1 2.76Å; K71-E218 PolarHBondContact NZ-OE1 2.85Å; E215-E218 HydrophobicContact CB-CB 4.31Å; E215-E218 PolarHBondContact O-N 2.81Å; E215-E218 VanDerWaalsContact O-N 3.1Å
219Q46Very low58.4Low161 Ų16190.8 Ų90.875%0.75251%0.506SS*.PPolyproline II helixtrans-68.8140.5169.1-69.7-70-4800109.5G217 S221G217-Q219 PolarHBondContact O-N 2.83Å; Q219-S221 PolarHBondContact O-N 3.47Å
220P46.1Very low55.3Low64 Ų6491.6 Ų91.642%0.41652%0.515SS..PPolyproline II helixtrans-55.1128.1172.2-18.830000109.4Q224 E225P220-Q224 HydrophobicContact CB-CB 4.13Å; P220-E225 HydrophobicContact CB-CG 4.21Å
221S44.6Very low52.3Low36 Ų3689.6 Ų89.625%0.25251%0.507SS..PPolyproline II helixtrans-63.8153.5168.564.30000109.8Q219 K223 Q224 E225Q219-S221 PolarHBondContact O-N 3.47Å; S221-K223 PolarHBondContact O-N 3.03Å; S221-Q224 WeakPolarHBondContact O-CA 3.17Å; S221-Q224 WeakPolarHBondContact O-CB 3.05Å; S221-Q224 PolarHBondContact O-N 2.02Å; S221-Q224 PolarHBondContact OG-N 3.49Å; S221-Q224 PolarHBondContact OG-OE1 2.75Å; S221-E225 PolarHBondContact O-N 3.21Å; S221-E225 VanDerWaalsContact O-N 3.08Å
222P39.5Very low49.5Very low106 Ų10693.4 Ų93.469%0.68853%0.525SS*.Hα-helixtrans-55.7-23.1173.9-27.234.8000113.6A226P222-A226 WeakPolarHBondContact O-CB 3.37Å; P222-A226 PolarHBondContact O-N 2.89Å
223K46.2Very low47Very low159 Ų15995.7 Ų95.769%0.69154%0.542SS*.Hα-helixtrans-74-33.8170.6-73.3-172.7175.7-174.20113.1S221 A226 W227S221-K223 PolarHBondContact O-N 3.03Å; K223-A226 PolarHBondContact O-N 3.29Å; K223-W227 WeakPolarHBondContact O-CB 3.45Å; K223-W227 PolarHBondContact O-N 3.27Å
224Q42.6Very low45.2Very low64 Ų6499.7 Ų99.730%0.29956%0.559SS.*Hα-helixtrans-69.9-36.5172.2-78.3164.6-71.200111.6P220 S221 W227 L228P220-Q224 HydrophobicContact CB-CB 4.13Å; S221-Q224 WeakPolarHBondContact O-CA 3.17Å; S221-Q224 WeakPolarHBondContact O-CB 3.05Å; S221-Q224 PolarHBondContact O-N 2.02Å; S221-Q224 PolarHBondContact OG-N 3.49Å; S221-Q224 PolarHBondContact OG-OE1 2.75Å; Q224-W227 PolarHBondContact O-N 3.33Å; Q224-L228 WeakPolarHBondContact O-CB 3.46Å; Q224-L228 WeakPolarHBondContact O-CD1 3.41Å; Q224-L228 WeakPolarHBondContact O-CG 3.4Å; Q224-L228 PolarHBondContact O-N 3.34Å
225E36.3Very low44.2Very low119 Ų11996 Ų9656%0.55654%0.537SS*.Hα-helixtrans-66.2-41.1171-69.6-178.4154.500111.7P220 S221 L228 A229P220-E225 HydrophobicContact CB-CG 4.21Å; S221-E225 PolarHBondContact O-N 3.21Å; S221-E225 VanDerWaalsContact O-N 3.08Å; E225-L228 PolarHBondContact O-N 3.22Å; E225-A229 WeakPolarHBondContact O-CB 3.17Å; E225-A229 PolarHBondContact O-N 2.94Å
226A31.9Very low44.9Very low51 Ų5194.3 Ų94.342%0.42153%0.526SS..Hα-helixtrans-65.1-37.6172.700000112.5P222 K223 A229 D230P222-A226 WeakPolarHBondContact O-CB 3.37Å; P222-A226 PolarHBondContact O-N 2.89Å; K223-A226 PolarHBondContact O-N 3.29Å; A226-A229 PolarHBondContact O-N 3.01Å; A226-D230 WeakPolarHBondContact O-CA 3.48Å; A226-D230 WeakPolarHBondContact O-CB 3.46Å; A226-D230 PolarHBondContact O-N 2.93Å
227W35.9Very low46.6Very low133 Ų13388.4 Ų88.450%0.50449%0.491SS..Hα-helixtrans-66.6-35.6172.2-87.447.7000113.1E73 K223 Q224 A229 G231E73-W227 HydrophobicContact CG-CH2 4.47Å; E73-W227 HydrophobicContact CG-CZ2 4.44Å; E73-W227 WeakPolarHBondContact OE1-CH2 3.04Å; K223-W227 WeakPolarHBondContact O-CB 3.45Å; K223-W227 PolarHBondContact O-N 3.27Å; Q224-W227 PolarHBondContact O-N 3.33Å; W227-A229 VanDerWaalsContact C-N 3.28Å; W227-G231 WeakPolarHBondContact O-CA 3.2Å; W227-G231 PolarHBondContact O-N 2.8Å
228L37.6Very low48.5Very low132 Ų13285.5 Ų85.569%0.69146%0.458SS*.Hα-helixtrans-70-27173.8-72.6163.9000111.9Q224 E225Q224-L228 WeakPolarHBondContact O-CB 3.46Å; Q224-L228 WeakPolarHBondContact O-CD1 3.41Å; Q224-L228 WeakPolarHBondContact O-CG 3.4Å; Q224-L228 PolarHBondContact O-N 3.34Å; E225-L228 PolarHBondContact O-N 3.22Å
229A31.1Very low50.4Low77 Ų7786.6 Ų86.664%0.63646%0.46SS*.Hα-helixtrans-92.9-28.9179.600000114.6E225 A226 W227E225-A229 WeakPolarHBondContact O-CB 3.17Å; E225-A229 PolarHBondContact O-N 2.94Å; A226-A229 PolarHBondContact O-N 3.01Å; W227-A229 VanDerWaalsContact C-N 3.28Å
230D34.1Very low52.8Low130 Ų13082.8 Ų82.870%0.69545%0.448SS*.Hα-helixtrans-116.1-8.9-172.1-138.115.2000111.9A226 E232A226-D230 WeakPolarHBondContact O-CA 3.48Å; A226-D230 WeakPolarHBondContact O-CB 3.46Å; A226-D230 PolarHBondContact O-N 2.93Å; D230-E232 PolarHBondContact O-N 2.87Å
231G35.5Very low55.2Low15 Ų1580.2 Ų80.216%0.15543%0.431CS..THydrogen-bonded Turntrans-726179.600000114.6W227 T233 E234 S235W227-G231 WeakPolarHBondContact O-CA 3.2Å; W227-G231 PolarHBondContact O-N 2.8Å; G231-T233 VanDerWaalsContact C-N 3.28Å; G231-T233 PolarHBondContact O-N 2.76Å; G231-E234 PolarHBondContact O-N 2.99Å; G231-S235 VanDerWaalsContact O-CB 3.29Å; G231-S235 WeakPolarHBondContact O-CB 3.27Å; G231-S235 PolarHBondContact O-N 3.42Å; G231-S235 PolarHBondContact O-OG 2.94Å
232E37.8Very low57.7Low124 Ų12485.2 Ų85.258%0.57945%0.45SS*.THydrogen-bonded Turntrans-61.9-36.5-179.1-59-142.8114.400112.7D230 G237 R239D230-E232 PolarHBondContact O-N 2.87Å; E232-G237 PolarHBondContact O-N 2.56Å; E232-R239 VanDerWaalsContact CA-NH2 3.31Å; E232-R239 IonicContact OE1-CZ 3.71Å; E232-R239 IonicContact OE1-NE 2.71Å; E232-R239 IonicContact OE1-NH2 3.79Å; E232-R239 PolarHBondContact OE1-NH2 2.97Å
233T42.7Very low60.4Low120 Ų12086.4 Ų86.474%0.73645%0.451SS*.THydrogen-bonded Turntrans-82.9-33.1179.319.60000113.3G231G231-T233 VanDerWaalsContact C-N 3.28Å; G231-T233 PolarHBondContact O-N 2.76Å
234E51.9Low62.9Low109 Ų10979.7 Ų79.751%0.50943%0.426SS..THydrogen-bonded Turntrans-83.1-36.9-178.8-69.6-155.214100113.6K117 G231 R236K117-E234 IonicContact NZ-OE1 3.19Å; K117-E234 PolarHBondContact NZ-OE1 2.99Å; K117-E234 IonicContact NZ-OE2 3.87Å; K117-E234 PolarHBondContact NZ-OE2 2.84Å; G231-E234 PolarHBondContact O-N 2.99Å; E234-R236 PolarHBondContact O-N 3.33Å
235S63.5Low65.5Low33 Ų3379.5 Ų79.523%0.23143%0.431CS..THydrogen-bonded Turntrans-77.4-5.5173.863.70000113.4G231 G237 L238 R239G231-S235 VanDerWaalsContact O-CB 3.29Å; G231-S235 WeakPolarHBondContact O-CB 3.27Å; G231-S235 PolarHBondContact O-N 3.42Å; G231-S235 PolarHBondContact O-OG 2.94Å; S235-G237 PolarHBondContact O-N 3.19Å; S235-L238 VanDerWaalsContact CB-O 3.28Å; S235-L238 WeakPolarHBondContact CB-O 3.42Å; S235-L238 VanDerWaalsContact O-CB 3.31Å; S235-L238 WeakPolarHBondContact O-CB 3.48Å; S235-L238 PolarHBondContact O-N 2.61Å; S235-L238 PolarHBondContact OG-O 3.18Å; S235-L238 VanDerWaalsContact OG-O 3.13Å; S235-R239 PolarHBondContact OG-NH1 3.44Å
236R80.9Confident68.5Low74 Ų7473.9 Ų73.928%0.27940%0.404SS..THydrogen-bonded Turntrans50.143.6-178-55.417889.8151.3-2112.3E49 I101 H102 E234E49-R236 IonicContact OE1-CZ 3.38Å; E49-R236 IonicContact OE1-NE 3.06Å; E49-R236 PolarHBondContact OE1-NE 2.98Å; E49-R236 IonicContact OE1-NH2 3.96Å; E49-R236 PolarHBondContact OE1-NH2 2.79Å; E49-R236 IonicContact OE2-CZ 2.61Å; E49-R236 IonicContact OE2-NE 2.76Å; E49-R236 IonicContact OE2-NH2 3.04Å; E49-R236 PolarHBondContact OE2-NH2 3.08Å; I101-R236 VanDerWaalsContact CG2-CZ 3.45Å; I101-R236 PolarHBondContact O-NH1 3.36Å; I101-R236 PolarHBondContact O-NH2 2.88Å; H102-R236 PolarHBondContact CD2-NH1 3.07Å; H102-R236 PolarHBondContact CE1-NH1 3.09Å; H102-R236 VanDerWaalsContact CG-NH1 3.3Å; H102-R236 PolarHBondContact ND1-NH1 3.27Å; H102-R236 PolarHBondContact NE2-NH1 3.49Å; E234-R236 PolarHBondContact O-N 3.33Å
237G87.8Confident71.6Confident19 Ų1973.7 Ų73.720%0.19639%0.394CS..THydrogen-bonded Turntrans87.2-7.9-179.800000115.7P186 E232 S235 R239P186-G237 WeakPolarHBondContact CD-O 3.32Å; E232-G237 PolarHBondContact O-N 2.56Å; S235-G237 PolarHBondContact O-N 3.19Å; G237-R239 PolarHBondContact O-N 2.86Å
238L92.6Very high74.6Confident13 Ų1367.7 Ų67.77%0.06837%0.372CS..  trans-66.9128174.4-71168.4000110.7V47 Q183 C184 L185 Q198 S235V47-L238 HydrophobicContact CG1-CD1 4.18Å; Q183-L238 HydrophobicContact CB-CB 4.26Å; Q183-L238 HydrophobicContact CB-CD2 4.47Å; C184-L238 WeakPolarHBondContact O-CA 3.29Å; L185-L238 HydrophobicContact CD2-CD2 3.89Å; L185-L238 HydrophobicContact CD2-CG 4.03Å; L185-L238 HydrophobicContact CG-CD2 3.98Å; Q198-L238 HydrophobicContact CB-CD1 3.86Å; S235-L238 VanDerWaalsContact CB-O 3.28Å; S235-L238 WeakPolarHBondContact CB-O 3.42Å; S235-L238 VanDerWaalsContact O-CB 3.31Å; S235-L238 WeakPolarHBondContact O-CB 3.48Å; S235-L238 PolarHBondContact O-N 2.61Å; S235-L238 PolarHBondContact OG-O 3.18Å; S235-L238 VanDerWaalsContact OG-O 3.13Å
239R94.4Very high77.3Confident79 Ų7961.9 Ų61.930%0.29834%0.342SS..EExtended strand (participates in β ladder)trans-125.5164173.7-59.7-66.1177.7-80.3-12.8109.1Q183 C184 E232 S235 G237 C241Q183-R239 CarbonylContact C-O 3.51Å; Q183-R239 WeakPolarHBondContact CA-O 3.42Å; Q183-R239 WeakPolarHBondContact CB-O 2.94Å; C184-R239 PolarHBondContact N-O 2.85Å; C184-R239 PolarHBondContact O-N 3.1Å; E232-R239 VanDerWaalsContact CA-NH2 3.31Å; E232-R239 IonicContact OE1-CZ 3.71Å; E232-R239 IonicContact OE1-NE 2.71Å; E232-R239 IonicContact OE1-NH2 3.79Å; E232-R239 PolarHBondContact OE1-NH2 2.97Å; S235-R239 PolarHBondContact OG-NH1 3.44Å; G237-R239 PolarHBondContact O-N 2.86Å; R239-C241 PolarHBondContact O-N 3.44Å
240V95.6Very high80.3Confident82 Ų8260.6 Ų60.650%0.49733%0.327SS..EExtended strand (participates in β ladder)trans-56131.6170.4177.30000107.9K181 E242K181-V240 HydrophobicContact CD-CG2 4.3Å; K181-V240 HydrophobicContact CG-CG2 4.47Å; V240-E242 PolarHBondContact O-N 3.3Å
241C96.7Very high82.6Confident9 Ų955.9 Ų55.96%0.06130%0.303CS..PPolyproline II helixtrans-63.3134.5178.8-57.40000109.9V165 I182 C184 R239V165-C241 HydrophobicContact CG1-CB 4.02Å; V165-C241 HydrophobicContact CG2-CB 3.76Å; I182-C241 VanDerWaalsContact CG2-SG 3.51Å; I182-C241 PolarHBondContact O-N 3.42Å; C184-C241 HydrophobicContact CB-CB 3.95Å; C184-C241 WeakPolarHBondContact CB-SG 3.46Å; C184-C241 PolarHBondContact N-SG 3.35Å; C184-C241 WeakPolarHBondContact SG-CB 3.49Å; C184-C241 CovalentContact SG-SG 2.03Å; C184-C241 PolarHBondContact SG-SG 3.01Å; R239-C241 PolarHBondContact O-N 3.44Å
242E96.8Very high84.4Confident142 Ų14261.9 Ų61.966%0.66433%0.325SS*.PPolyproline II helixtrans-70.6147.8172.4-64.7-62.2159.600109.9V165 Q194 V240 G244V165-E242 VanDerWaalsContact CG2-O 3.26Å; V165-E242 WeakPolarHBondContact CG2-O 3.28Å; Q194-E242 PolarHBondContact NE2-O 3.25Å; V240-E242 PolarHBondContact O-N 3.3Å; E242-G244 PolarHBondContact O-N 3.2Å
243D97.3Very high85.4Confident131 Ų13164.9 Ų64.970%0.70134%0.336SS*.SBendtrans-61.3133.9173-71.8-28.5000109.9
244G97.6Very high86Confident17 Ų1762.8 Ų62.818%0.17532%0.32CS..SBendtrans132.7-159.6-179.100000113.6Q164 V165 E242Q164-G244 CarbonylContact C-O 3.48Å; Q164-G244 WeakPolarHBondContact CA-O 3.3Å; Q164-G244 VanDerWaalsContact OE1-CA 3.26Å; Q164-G244 PolarHBondContact OE1-O 3.06Å; V165-G244 PolarHBondContact N-O 3.49Å; E242-G244 PolarHBondContact O-N 3.2Å
245P98.3Very high85.8Confident60 Ų6067.2 Ų67.239%0.3934%0.337SS..EExtended strand (participates in β ladder)trans-60.1141.3179.6-23.434.2000112.7Y163 V193 Q194Y163-P245 CarbonylContact O-C 3.56Å; Y163-P245 VanDerWaalsContact O-CA 3.29Å; Y163-P245 WeakPolarHBondContact O-CA 3.46Å; V193-P245 HydrophobicContact CB-CB 4.4Å; V193-P245 HydrophobicContact CG1-CB 3.76Å; Q194-P245 PolarHBondContact NE2-O 2.87Å
246V98.4Very high84.9Confident1 Ų176 Ų761%0.00637%0.374CS..EExtended strand (participates in β ladder)trans-141137.2174.661.80000110.5Y163 V165 F168 Q194 V196Y163-V246 PolarHBondContact N-O 3.4Å; Y163-V246 PolarHBondContact O-N 2.99Å; V165-V246 HydrophobicContact CG2-CB 3.78Å; V165-V246 HydrophobicContact CG2-CG1 3.84Å; V165-V246 HydrophobicContact CG2-CG2 4.45Å; F168-V246 HydrophobicContact CD2-CG1 4.33Å; F168-V246 HydrophobicContact CE2-CG1 4.19Å; Q194-V246 HydrophobicContact CG-CB 4.16Å; Q194-V246 HydrophobicContact CG-CG2 4.06Å; Q194-V246 WeakPolarHBondContact O-CA 3.5Å; V196-V246 HydrophobicContact CB-CG2 3.72Å
247F97.9Very high85.1Confident47 Ų4776.1 Ų76.121%0.20638%0.379CS..EExtended strand (participates in β ladder)trans-88130.3174.1-176.5-138.3000110.8S159 Y162 V193 Q194 T195 V196 P249S159-F247 VanDerWaalsContact O-CE2 3.23Å; S159-F247 WeakPolarHBondContact O-CE2 3.29Å; Y162-F247 HydrophobicContact CD1-CB 4.01Å; Y162-F247 AromaticContact CD1-CD2 3.96Å; Y162-F247 HydrophobicContact CD1-CD2 3.96Å; Y162-F247 HydrophobicContact CD1-CG 4.36Å; Y162-F247 HydrophobicContact CE1-CB 4.04Å; Y162-F247 AromaticContact CE1-CD2 3.9Å; Y162-F247 HydrophobicContact CE1-CD2 3.9Å; Y162-F247 HydrophobicContact CE1-CG 4.16Å; V193-F247 HydrophobicContact CG2-CB 3.78Å; Q194-F247 PolarHBondContact O-N 3.25Å; T195-F247 WeakPolarHBondContact CA-O 3.16Å; T195-F247 HydrophobicContact CG2-CD1 4.12Å; V196-F247 PolarHBondContact N-O 3.46Å; F247-P249 HydrophobicContact CD1-CB 4.09Å; F247-P249 HydrophobicContact CE1-CB 3.56Å; F247-P249 HydrophobicContact CE1-CG 4.5Å; F247-P249 HydrophobicContact CZ-CB 3.83Å
248Y97.6Very high85Confident8 Ų879.1 Ų79.13%0.03139%0.389CS..  trans-113.791.9172.6-178.5-155.7000109.4W43 W62 I156 K157 P158 S159 Y163 F168 V196W43-Y248 HydrophobicContact CD2-CD2 4.43Å; W43-Y248 AromaticContact CD2-CE2 3.5Å; W43-Y248 HydrophobicContact CD2-CE2 3.5Å; W43-Y248 AromaticContact CE2-CE2 3.48Å; W43-Y248 VanDerWaalsContact CE2-CE2 3.48Å; W43-Y248 AromaticContact CE3-CE2 3.82Å; W43-Y248 HydrophobicContact CE3-CE2 3.82Å; W43-Y248 HydrophobicContact CG-CD2 4.45Å; W43-Y248 AromaticContact CG-CE2 3.88Å; W43-Y248 HydrophobicContact CG-CE2 3.88Å; W43-Y248 HydrophobicContact CH2-CE2 4.15Å; W43-Y248 WeakPolarHBondContact CH2-OH 3.24Å; W43-Y248 AromaticContact CZ2-CE2 3.84Å; W43-Y248 HydrophobicContact CZ2-CE2 3.84Å; W43-Y248 HydrophobicContact CZ3-CE2 4.11Å; W43-Y248 WeakPolarHBondContact CZ3-OH 3.04Å; W43-Y248 AromaticContact NE1-CE2 3.77Å; W62-Y248 HydrophobicContact CZ2-CE2 4.12Å; W62-Y248 AromaticContact NE1-CZ 3.71Å; W62-Y248 PolarHBondContact NE1-OH 2.95Å; W62-Y248 VanDerWaalsContact NE1-OH 3.09Å; I156-Y248 HydrophobicContact CG2-CD1 4.37Å; I156-Y248 HydrophobicContact CG2-CE1 4.49Å; K157-Y248 WeakPolarHBondContact O-CD1 3.49Å; P158-Y248 WeakPolarHBondContact CA-O 3.15Å; P158-Y248 HydrophobicContact CB-CD1 4.49Å; P158-Y248 HydrophobicContact CB-CE1 4.36Å; P158-Y248 VanDerWaalsContact CD-CE1 3.42Å; P158-Y248 HydrophobicContact CG-CD1 4.4Å; P158-Y248 HydrophobicContact CG-CE1 3.79Å; P158-Y248 HydrophobicContact CG-CE2 4.04Å; S159-Y248 PolarHBondContact N-O 3.08Å; Y163-Y248 HydrophobicContact CE2-CD1 4.33Å; F168-Y248 HydrophobicContact CE1-CD1 4.34Å; F168-Y248 AromaticContact CZ-CD1 3.76Å; F168-Y248 HydrophobicContact CZ-CD1 3.76Å; F168-Y248 HydrophobicContact CZ-CE1 4.41Å; F168-Y248 AromaticContact CZ-CG 3.9Å; F168-Y248 HydrophobicContact CZ-CG 3.9Å; V196-Y248 HydrophobicContact CG1-CD2 3.64Å; V196-Y248 HydrophobicContact CG1-CE2 4.5Å; V196-Y248 HydrophobicContact CG1-CG 4.05Å
249P95.3Very high84.6Confident10 Ų1082.7 Ų82.77%0.06541%0.406CS..PPolyproline II helixtrans-72.2129.4-161.725.1-32.5000112W43 E45 T46 T195 F247W43-P249 PolarHBondContact NE1-O 2.88Å; E45-P249 HydrophobicContact CB-CG 4.28Å; E45-P249 HydrophobicContact CG-CB 3.85Å; E45-P249 HydrophobicContact CG-CG 3.97Å; T46-P249 VanDerWaalsContact OG1-CG 3.32Å; T46-P249 WeakPolarHBondContact OG1-CG 3.32Å; T195-P249 HydrophobicContact CG2-CG 3.77Å; F247-P249 HydrophobicContact CD1-CB 4.09Å; F247-P249 HydrophobicContact CE1-CB 3.56Å; F247-P249 HydrophobicContact CE1-CG 4.5Å; F247-P249 HydrophobicContact CZ-CB 3.83Å
250P93.5Very high84Confident50 Ų5082.9 Ų82.933%0.32541%0.413SS..PPolyproline II helixtrans-58.9137.4165.1-19.831.7000110.8P158 K252P158-P250 HydrophobicContact CB-CB 4.23Å; P158-P250 HydrophobicContact CB-CG 4.32Å; P250-K252 PolarHBondContact O-N 3.17Å
251P81.9Confident83.3Confident31 Ų3183 Ų8320%0.20141%0.407CS..PPolyproline II helixtrans-59.5136177.5-20.632.2000111.1W43 E45 D60 K253W43-P251 HydrophobicContact CH2-CG 4.26Å; W43-P251 HydrophobicContact CZ2-CG 3.76Å; E45-P251 WeakPolarHBondContact OE2-CA 3.38Å; D60-P251 HydrophobicContact CB-CB 4.38Å; D60-P251 HydrophobicContact CB-CG 3.59Å; P251-K253 PolarHBondContact O-N 2.66Å
252K73.9Confident82.4Confident141 Ų14187.9 Ų87.961%0.61343%0.431SS*.  trans-68.1106.7177.1-74.5173.7-172.6114.90109.4E45 P250 I254E45-K252 VanDerWaalsContact OE1-CD 3.23Å; E45-K252 WeakPolarHBondContact OE1-CD 3.28Å; E45-K252 VanDerWaalsContact OE1-CE 3.23Å; E45-K252 WeakPolarHBondContact OE1-CE 3.45Å; E45-K252 VanDerWaalsContact OE1-CG 3.24Å; E45-K252 WeakPolarHBondContact OE1-CG 3.38Å; E45-K252 IonicContact OE1-NZ 3.91Å; E45-K252 PolarHBondContact OE1-NZ 3.48Å; E45-K252 PolarHBondContact OE2-N 3.18Å; P250-K252 PolarHBondContact O-N 3.17Å; K252-I254 PolarHBondContact O-N 3.46Å
253K59.3Low81.4Confident187 Ų18784.1 Ų84.181%0.81341%0.414SS*.  trans-76.3104.2167.5-66.5-171.5179.9-174.30108.9P251 K255P251-K253 PolarHBondContact O-N 2.66Å; K253-K255 PolarHBondContact O-N 2.96Å; K253-K255 VanDerWaalsContact O-N 3.13Å
254I56.1Low80.1Confident76 Ų7680.5 Ų80.539%0.3939%0.392SS..  trans-68.5111.2167.7-55.9-178.5000106.6I51 R56 K252 H256I51-I254 HydrophobicContact CG2-CD1 3.89Å; R56-I254 HydrophobicContact CG-CD1 4.48Å; R56-I254 VanDerWaalsContact O-CD1 3.25Å; R56-I254 WeakPolarHBondContact O-CD1 3.39Å; K252-I254 PolarHBondContact O-N 3.46Å; I254-H256 PolarHBondContact O-N 3.16Å
255K46.2Very low78.7Confident201 Ų20185.8 Ų85.887%0.87441%0.41SS*.  trans-66.4117.3171.2-69.1-175.7179.9179.80107.7K253K253-K255 PolarHBondContact O-N 2.96Å; K253-K255 VanDerWaalsContact O-N 3.13Å
256H46Very low76.9Confident217 Ų21788.1 Ų88.1100%1.00541%0.412SS*.  trans-72.60166.6-68.4-51.7000111.1I254I254-H256 PolarHBondContact O-N 3.16Å

Retrieved 256 of 256 residues in 370.2 ms (Link to these results)