A0A087XLV1_POEFO Loading...

Nucleic acid dioxygenase ALKBH1

AlphaFold DB (A0A3B3U723), UniProt , Accession A0A087XLV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 380 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.8Very low39.2Very low205 Ų205132 Ų132100%1.0177%0.766SS**  0-23.20-81-155.8-122.800115.6
2A29Very low40.4Very low80 Ų80125.7 Ų125.766%0.66174%0.735SS**  trans-92.1-14.4-177.400000116.5A6A2-A6 WeakPolarHBondContact O-CB 3.2Å
3K31.4Very low42.1Very low197 Ų197123.7 Ų123.786%0.85776%0.757SS**SBendtrans-93.2-22.8-169.6-82.7-173.6173.8-178.80116.7
4M37Very low44.8Very low172 Ų172117.3 Ų117.385%0.84772%0.715SS**SBendtrans-97.7-24176.7-79.8-79.7-144.300113.1
5A37Very low47.9Very low86 Ų86112.3 Ų112.371%0.71168%0.682SS**SBendtrans-80.2-16.417400000113
6A33.1Very low50.8Low81 Ų81109.1 Ų109.167%0.66966%0.663SS**SBendtrans-98.42.7-172.600000115.4A2A2-A6 WeakPolarHBondContact O-CB 3.2Å
7S39.1Very low53.4Low100 Ų100102.7 Ų102.770%0.69962%0.624SS**SBendtrans-117.125.4-178.7-173.80000113.6
8M49Very low55.8Low142 Ų142103.9 Ų103.970%0.762%0.615SS**  trans-111.563177.6-62.4-147.2173.600110.8
9V42.6Very low57.9Low122 Ų122101.6 Ų101.674%0.73960%0.597SS**  trans-65134.8163.7-176.90000107.7E11V9-E11 VanDerWaalsContact C-N 3.32Å; V9-E11 PolarHBondContact O-N 2.74Å
10A44.6Very low59.8Low79 Ų7999.1 Ų99.165%0.65358%0.579SS**  trans-67.581.5-174.900000112S12A10-S12 PolarHBondContact O-N 3.47Å
11E45.8Very low61.6Low188 Ų18895.5 Ų95.588%0.87956%0.557SS**SBendtrans-82.313.3175.4-75.1-168.6157.700114.5V9V9-E11 VanDerWaalsContact C-N 3.32Å; V9-E11 PolarHBondContact O-N 2.74Å
12S53.8Low64.1Low56 Ų5690.6 Ų90.639%0.39253%0.53SS..SBendtrans-154.7146.7166.961.40000106.8A10 E14A10-S12 PolarHBondContact O-N 3.47Å; S12-E14 PolarHBondContact O-N 3.17Å; S12-E14 WeakPolarHBondContact OG-CB 2.95Å
13G62.2Low67.4Low100 Ų10090.4 Ų90.4100%1.03151%0.514SS*.SBendtrans-62.826.4175.200000114.7
14E79.7Confident70.5Confident34 Ų3481.7 Ų81.716%0.15948%0.476CS..  trans-96.8123.9178.6-176.7157-13100110.6S12 R18 K19 K22S12-E14 PolarHBondContact O-N 3.17Å; S12-E14 WeakPolarHBondContact OG-CB 2.95Å; E14-R18 HydrophobicContact CG-CB 3.81Å; E14-R18 HydrophobicContact CG-CG 4.05Å; E14-R18 WeakPolarHBondContact OE1-CD 3.13Å; E14-R18 WeakPolarHBondContact OE1-CG 3.26Å; E14-R18 IonicContact OE1-CZ 3.55Å; E14-R18 IonicContact OE1-NE 3.22Å; E14-R18 PolarHBondContact OE1-NE 3.25Å; E14-R18 IonicContact OE1-NH1 3.38Å; E14-K19 HydrophobicContact CB-CG 4.44Å; E14-K19 HydrophobicContact CG-CG 3.9Å; E14-K19 VanDerWaalsContact O-CE 3.28Å; E14-K19 WeakPolarHBondContact O-CE 3.22Å; E14-K22 WeakPolarHBondContact OE1-CD 3.34Å; E14-K22 WeakPolarHBondContact OE1-CE 3.49Å; E14-K22 IonicContact OE1-NZ 2.81Å; E14-K22 PolarHBondContact OE1-NZ 3.41Å; E14-K22 IonicContact OE2-NZ 3.54Å; E14-K22 PolarHBondContact OE2-NZ 3.02Å
15D91.1Very high73.3Confident43 Ų4378 Ų7823%0.2346%0.455CS..  trans-63.4154.4178.770.960.6000112.6F17 R18 K19 R248D15-F17 VanDerWaalsContact C-N 3.28Å; D15-F17 PolarHBondContact O-N 3.46Å; D15-F17 WeakPolarHBondContact OD1-CB 3.47Å; D15-F17 PolarHBondContact OD1-N 3.31Å; D15-R18 PolarHBondContact O-N 3.22Å; D15-R18 VanDerWaalsContact O-N 3.15Å; D15-R18 WeakPolarHBondContact OD1-CB 3.41Å; D15-R18 PolarHBondContact OD1-N 3.41Å; D15-K19 PolarHBondContact O-N 3.24Å; D15-K19 VanDerWaalsContact O-N 3.13Å; D15-R248 HydrophobicContact CB-CB 4.43Å; D15-R248 IonicContact OD2-CZ 2.74Å; D15-R248 IonicContact OD2-NE 2.87Å; D15-R248 PolarHBondContact OD2-NE 3.31Å; D15-R248 VanDerWaalsContact OD2-NE 3.1Å; D15-R248 IonicContact OD2-NH2 2.64Å
16V94Very high76Confident61 Ų6179.2 Ų79.237%0.3744%0.442SS..Hα-helixtrans-59.2-39.3-174.4179.80000111.6K19 M20 P251V16-K19 PolarHBondContact O-N 3.46Å; V16-M20 WeakPolarHBondContact O-CG 3.22Å; V16-M20 PolarHBondContact O-N 3.16Å; V16-M20 VanDerWaalsContact O-N 3.09Å; V16-P251 HydrophobicContact CG1-CB 3.92Å
17F96.1Very high78.8Confident0 Ų081.4 Ų81.40%043%0.433CS..Hα-helixtrans-62.3-47.1177.9-158.1-41000110.4D15 K19 M20 F21 I217 L242 R248 P252 Y273 A275D15-F17 VanDerWaalsContact C-N 3.28Å; D15-F17 PolarHBondContact O-N 3.46Å; D15-F17 WeakPolarHBondContact OD1-CB 3.47Å; D15-F17 PolarHBondContact OD1-N 3.31Å; F17-K19 VanDerWaalsContact C-N 3.3Å; F17-K19 PolarHBondContact O-N 3.45Å; F17-M20 PolarHBondContact O-N 2.79Å; F17-M20 VanDerWaalsContact O-N 3.1Å; F17-F21 WeakPolarHBondContact O-CB 3.37Å; F17-F21 PolarHBondContact O-N 3.02Å; F17-I217 HydrophobicContact CB-CD1 4.11Å; F17-I217 HydrophobicContact CD1-CD1 3.41Å; F17-I217 VanDerWaalsContact CD1-CD1 3.41Å; F17-I217 HydrophobicContact CD1-CG1 3.57Å; F17-I217 HydrophobicContact CD1-CG2 4.16Å; F17-I217 HydrophobicContact CD2-CG2 4.09Å; F17-I217 HydrophobicContact CE1-CD1 4.1Å; F17-I217 HydrophobicContact CE1-CG1 3.71Å; F17-I217 HydrophobicContact CE1-CG2 4.24Å; F17-I217 HydrophobicContact CE2-CG2 4.12Å; F17-I217 HydrophobicContact CG-CD1 3.9Å; F17-I217 HydrophobicContact CG-CG1 4.26Å; F17-I217 HydrophobicContact CG-CG2 4.13Å; F17-I217 HydrophobicContact CZ-CG1 4.46Å; F17-I217 HydrophobicContact CZ-CG2 4.23Å; F17-L242 HydrophobicContact CD1-CD1 4.37Å; F17-L242 HydrophobicContact CE1-CB 3.68Å; F17-L242 HydrophobicContact CE1-CD1 3.81Å; F17-L242 HydrophobicContact CE1-CG 4.41Å; F17-L242 HydrophobicContact CZ-CB 3.82Å; F17-R248 WeakPolarHBondContact CB-O 3.47Å; F17-R248 PolarHBondContact N-O 2.64Å; F17-P252 HydrophobicContact CB-CG 4.48Å; F17-P252 HydrophobicContact CD1-CB 4.3Å; F17-P252 HydrophobicContact CD1-CG 3.88Å; F17-P252 HydrophobicContact CD2-CB 4.19Å; F17-P252 HydrophobicContact CD2-CG 4.3Å; F17-P252 HydrophobicContact CE1-CB 4.07Å; F17-P252 HydrophobicContact CE1-CG 4.08Å; F17-P252 HydrophobicContact CE2-CB 3.99Å; F17-P252 HydrophobicContact CG-CB 4.33Å; F17-P252 HydrophobicContact CG-CG 3.97Å; F17-P252 HydrophobicContact CZ-CB 3.9Å; F17-P252 HydrophobicContact CZ-CG 4.38Å; F17-Y273 WeakPolarHBondContact CE2-O 3.5Å; F17-A275 HydrophobicContact CE1-CB 3.85Å; F17-A275 HydrophobicContact CZ-CB 4.22Å
18R96.6Very high81.2Confident125 Ų12583.4 Ų83.447%0.47244%0.435SS..Hα-helixtrans-61.8-36.8-179.9-161.6178.2-179.1-147.66112.3E14 D15 F21 K22 I217E14-R18 HydrophobicContact CG-CB 3.81Å; E14-R18 HydrophobicContact CG-CG 4.05Å; E14-R18 WeakPolarHBondContact OE1-CD 3.13Å; E14-R18 WeakPolarHBondContact OE1-CG 3.26Å; E14-R18 IonicContact OE1-CZ 3.55Å; E14-R18 IonicContact OE1-NE 3.22Å; E14-R18 PolarHBondContact OE1-NE 3.25Å; E14-R18 IonicContact OE1-NH1 3.38Å; D15-R18 PolarHBondContact O-N 3.22Å; D15-R18 VanDerWaalsContact O-N 3.15Å; D15-R18 WeakPolarHBondContact OD1-CB 3.41Å; D15-R18 PolarHBondContact OD1-N 3.41Å; R18-F21 PolarHBondContact O-N 3.42Å; R18-K22 WeakPolarHBondContact O-CG 3.26Å; R18-K22 PolarHBondContact O-N 3.33Å; R18-I217 HydrophobicContact CB-CD1 4.21Å
19K95.6Very high83.2Confident60 Ų6080.6 Ų80.626%0.26143%0.427SS..Hα-helixtrans-60.5-48.9171.5-66.7-177.7179.6172.70111.5E14 D15 V16 F17 F21 K22 F23E14-K19 HydrophobicContact CB-CG 4.44Å; E14-K19 HydrophobicContact CG-CG 3.9Å; E14-K19 VanDerWaalsContact O-CE 3.28Å; E14-K19 WeakPolarHBondContact O-CE 3.22Å; D15-K19 PolarHBondContact O-N 3.24Å; D15-K19 VanDerWaalsContact O-N 3.13Å; V16-K19 PolarHBondContact O-N 3.46Å; F17-K19 VanDerWaalsContact C-N 3.3Å; F17-K19 PolarHBondContact O-N 3.45Å; K19-F21 PolarHBondContact O-N 3.26Å; K19-K22 PolarHBondContact O-N 3.34Å; K19-F23 WeakPolarHBondContact O-CB 3.27Å; K19-F23 PolarHBondContact O-N 3.48Å
20M95.9Very high85.5Confident51 Ų5178.4 Ų78.425%0.25142%0.416SS..Hα-helixtrans-63.9-39.7178.1-70.3-62.3-72.700112.6V16 F17 F23 Y24 P252V16-M20 WeakPolarHBondContact O-CG 3.22Å; V16-M20 PolarHBondContact O-N 3.16Å; V16-M20 VanDerWaalsContact O-N 3.09Å; F17-M20 PolarHBondContact O-N 2.79Å; F17-M20 VanDerWaalsContact O-N 3.1Å; M20-F23 PolarHBondContact O-N 3.32Å; M20-Y24 HydrophobicContact CE-CD2 4.45Å; M20-Y24 HydrophobicContact CE-CE2 3.61Å; M20-Y24 WeakPolarHBondContact O-CD2 3.43Å; M20-Y24 PolarHBondContact O-N 3.2Å; M20-P252 HydrophobicContact CB-CG 3.67Å; M20-P252 HydrophobicContact CG-CG 3.97Å
21F97.1Very high87.8Confident24 Ų2475 Ų7511%0.10539%0.387CS..Hα-helixtrans-59.7-49.1174.8-179.8-89.4000111.4F17 R18 K19 F23 Y24 K25 L215 I217 L242 A275 P277F17-F21 WeakPolarHBondContact O-CB 3.37Å; F17-F21 PolarHBondContact O-N 3.02Å; R18-F21 PolarHBondContact O-N 3.42Å; K19-F21 PolarHBondContact O-N 3.26Å; F21-F23 PolarHBondContact O-N 3.3Å; F21-Y24 PolarHBondContact O-N 2.9Å; F21-K25 HydrophobicContact CD1-CD 4.44Å; F21-K25 HydrophobicContact CE1-CD 3.62Å; F21-K25 HydrophobicContact CZ-CD 4.06Å; F21-K25 WeakPolarHBondContact O-CB 3.04Å; F21-K25 PolarHBondContact O-N 3.22Å; F21-L215 VanDerWaalsContact CE2-O 3.28Å; F21-L215 WeakPolarHBondContact CE2-O 3.3Å; F21-I217 HydrophobicContact CB-CD1 4.15Å; F21-I217 HydrophobicContact CB-CG1 4.46Å; F21-I217 HydrophobicContact CD2-CG1 4.28Å; F21-I217 HydrophobicContact CG-CG1 4.46Å; F21-L242 HydrophobicContact CB-CD1 4.24Å; F21-A275 HydrophobicContact CD2-CB 3.68Å; F21-A275 HydrophobicContact CE2-CB 3.92Å; F21-P277 HydrophobicContact CD2-CB 3.73Å; F21-P277 HydrophobicContact CD2-CG 4.49Å; F21-P277 HydrophobicContact CE2-CB 3.83Å; F21-P277 HydrophobicContact CG-CB 4.28Å; F21-P277 HydrophobicContact CZ-CB 4.45Å
22K96.7Very high90Very high101 Ų10169.8 Ų69.844%0.43937%0.365SS..Hα-helixtrans-61.8-42.5176.7-76.3178172.4176.50112E14 R18 K19 K25 R26E14-K22 WeakPolarHBondContact OE1-CD 3.34Å; E14-K22 WeakPolarHBondContact OE1-CE 3.49Å; E14-K22 IonicContact OE1-NZ 2.81Å; E14-K22 PolarHBondContact OE1-NZ 3.41Å; E14-K22 IonicContact OE2-NZ 3.54Å; E14-K22 PolarHBondContact OE2-NZ 3.02Å; R18-K22 WeakPolarHBondContact O-CG 3.26Å; R18-K22 PolarHBondContact O-N 3.33Å; K19-K22 PolarHBondContact O-N 3.34Å; K22-K25 PolarHBondContact O-N 3.06Å; K22-R26 PolarHBondContact O-N 3.19Å; K22-R26 VanDerWaalsContact O-N 3.16Å
23F96.3Very high91.8Very high77 Ų7769.2 Ų69.234%0.33836%0.358SS..Hα-helixtrans-56.2-52.5177.1173.3-99.7000111.5K19 M20 F21 K25 R26 P31K19-F23 WeakPolarHBondContact O-CB 3.27Å; K19-F23 PolarHBondContact O-N 3.48Å; M20-F23 PolarHBondContact O-N 3.32Å; F21-F23 PolarHBondContact O-N 3.3Å; F23-K25 PolarHBondContact O-N 3.38Å; F23-R26 WeakPolarHBondContact O-CB 3.47Å; F23-R26 PolarHBondContact O-N 3.21Å; F23-P31 HydrophobicContact CD1-CB 4.09Å; F23-P31 HydrophobicContact CD2-CB 4.45Å; F23-P31 HydrophobicContact CE1-CB 3.54Å; F23-P31 HydrophobicContact CE2-CB 3.96Å; F23-P31 HydrophobicContact CZ-CB 3.47Å; F23-P31 VanDerWaalsContact CZ-CB 3.47Å; F23-P31 WeakPolarHBondContact O-CG 3.43Å
24Y97.1Very high93.1Very high14 Ų1474.3 Ų74.36%0.05535%0.346CS..Hα-helixtrans-73.2-26.7-179.2-74.2-62000114.1M20 F21 R26 P31 L33 V36 I240 L242 A254 R278M20-Y24 HydrophobicContact CE-CD2 4.45Å; M20-Y24 HydrophobicContact CE-CE2 3.61Å; M20-Y24 WeakPolarHBondContact O-CD2 3.43Å; M20-Y24 PolarHBondContact O-N 3.2Å; F21-Y24 PolarHBondContact O-N 2.9Å; Y24-R26 VanDerWaalsContact C-N 3.32Å; Y24-P31 HydrophobicContact CD1-CB 4.46Å; Y24-P31 HydrophobicContact CD1-CG 4.33Å; Y24-L33 HydrophobicContact CD1-CD2 3.99Å; Y24-L33 HydrophobicContact CE1-CD2 4.03Å; Y24-V36 HydrophobicContact CD1-CG2 4.49Å; Y24-V36 HydrophobicContact CE1-CG2 3.57Å; Y24-I240 HydrophobicContact CD1-CD1 3.6Å; Y24-I240 HydrophobicContact CD1-CG2 4.27Å; Y24-I240 HydrophobicContact CD2-CG2 4.41Å; Y24-I240 HydrophobicContact CE1-CD1 4.35Å; Y24-I240 HydrophobicContact CG-CD1 4.14Å; Y24-I240 HydrophobicContact CG-CG2 4.08Å; Y24-L242 HydrophobicContact CD2-CD1 4.39Å; Y24-L242 HydrophobicContact CD2-CD2 3.69Å; Y24-L242 HydrophobicContact CE2-CD2 3.86Å; Y24-A254 HydrophobicContact CD2-CB 4.34Å; Y24-A254 HydrophobicContact CE1-CB 4.47Å; Y24-A254 HydrophobicContact CE2-CB 3.47Å; Y24-A254 VanDerWaalsContact CE2-CB 3.47Å; Y24-A254 WeakPolarHBondContact OH-CB 2.99Å; Y24-R278 WeakPolarHBondContact O-CB 3.48Å; Y24-R278 WeakPolarHBondContact O-CD 3.46Å
25K96.3Very high93.5Very high95 Ų9580.7 Ų80.741%0.41338%0.375SS..Hα-helixtrans-72.1-23.5176.4-178.1167176.6167.40113.1F21 K22 F23 S214 P277F21-K25 HydrophobicContact CD1-CD 4.44Å; F21-K25 HydrophobicContact CE1-CD 3.62Å; F21-K25 HydrophobicContact CZ-CD 4.06Å; F21-K25 WeakPolarHBondContact O-CB 3.04Å; F21-K25 PolarHBondContact O-N 3.22Å; K22-K25 PolarHBondContact O-N 3.06Å; F23-K25 PolarHBondContact O-N 3.38Å; K25-S214 PolarHBondContact NZ-OG 3.25Å; K25-P277 HydrophobicContact CB-CB 4.17Å
26R94.5Very high93.6Very high111 Ų11178.9 Ų78.942%0.41937%0.366SS..  trans-59136.9-178.3-172174.568.3-155.3-2.6111.6K22 F23 Y24 P29 P31 R278K22-R26 PolarHBondContact O-N 3.19Å; K22-R26 VanDerWaalsContact O-N 3.16Å; F23-R26 WeakPolarHBondContact O-CB 3.47Å; F23-R26 PolarHBondContact O-N 3.21Å; Y24-R26 VanDerWaalsContact C-N 3.32Å; R26-P29 PolarHBondContact NE-O 3.23Å; R26-P31 WeakPolarHBondContact O-CD 3.48Å; R26-R278 PolarHBondContact O-NH1 3.25Å; R26-R278 VanDerWaalsContact O-NH1 3.1Å
27R91.1Very high93.5Very high127 Ų12776.3 Ų76.348%0.47935%0.351SS..  trans-101.1-34.3179.3-67.9-177.5-178.4-92.3-30.5113.7P30 S211R27-P30 WeakPolarHBondContact O-CA 3.3Å; R27-P30 VanDerWaalsContact O-CD 3.31Å; R27-P30 WeakPolarHBondContact O-CD 3.33Å; R27-P30 VanDerWaalsContact O-N 3.16Å; R27-S211 PolarHBondContact NH2-O 3.17Å
28D90.2Very high93.3Very high142 Ų14278 Ų7876%0.75936%0.36SS*.SBendtrans-138.7119.5-172.9-170.525.3000111.3
29P90.8Very high93.1Very high82 Ų8272.2 Ų72.253%0.53234%0.338SS..SBendcis-62.1145.8-20.329.5-34.1000109.6R26R26-P29 PolarHBondContact NE-O 3.23Å
30P90.4Very high92.6Very high76 Ų7671.5 Ų71.549%0.49434%0.341SS..PPolyproline II helixtrans-62.3141.417627-33.3000109.8R27R27-P30 WeakPolarHBondContact O-CA 3.3Å; R27-P30 VanDerWaalsContact O-CD 3.31Å; R27-P30 WeakPolarHBondContact O-CD 3.33Å; R27-P30 VanDerWaalsContact O-N 3.16Å
31P92.6Very high91.8Very high8 Ų872.3 Ų72.35%0.05235%0.351CS..PPolyproline II helixtrans-55.8149.1170.625-38.6000111.7F23 Y24 R26 L33 R278F23-P31 HydrophobicContact CD1-CB 4.09Å; F23-P31 HydrophobicContact CD2-CB 4.45Å; F23-P31 HydrophobicContact CE1-CB 3.54Å; F23-P31 HydrophobicContact CE2-CB 3.96Å; F23-P31 HydrophobicContact CZ-CB 3.47Å; F23-P31 VanDerWaalsContact CZ-CB 3.47Å; F23-P31 WeakPolarHBondContact O-CG 3.43Å; Y24-P31 HydrophobicContact CD1-CB 4.46Å; Y24-P31 HydrophobicContact CD1-CG 4.33Å; R26-P31 WeakPolarHBondContact O-CD 3.48Å; P31-L33 HydrophobicContact CB-CD2 4.35Å; P31-L33 HydrophobicContact CG-CD2 4.02Å; P31-R278 VanDerWaalsContact CD-NH1 3.31Å
32D91.4Very high90.1Very high78 Ų7874.3 Ų74.342%0.41738%0.378SS..PPolyproline II helixtrans-66.9130.7165.2-175.41.1000109.6R34D32-R34 WeakPolarHBondContact OD1-CB 3.48Å; D32-R34 VanDerWaalsContact OD1-CG 3.25Å; D32-R34 WeakPolarHBondContact OD1-CG 3.36Å; D32-R34 PolarHBondContact OD1-N 3.16Å; D32-R34 IonicContact OD1-NE 2.76Å; D32-R34 PolarHBondContact OD1-NE 3.05Å; D32-R34 VanDerWaalsContact OD1-NE 3.14Å; D32-R34 IonicContact OD2-CZ 3.05Å; D32-R34 IonicContact OD2-NE 2.68Å; D32-R34 PolarHBondContact OD2-NE 3.4Å; D32-R34 IonicContact OD2-NH2 2.79Å; D32-R34 PolarHBondContact OD2-NH2 3.37Å
33L92.9Very high88.1Confident45 Ų4572.2 Ų72.224%0.23638%0.38CS..  trans-109.15-175.3-53.3-176.6000113.1Y24 P31 E35 V36 I240 F256 L280Y24-L33 HydrophobicContact CD1-CD2 3.99Å; Y24-L33 HydrophobicContact CE1-CD2 4.03Å; P31-L33 HydrophobicContact CB-CD2 4.35Å; P31-L33 HydrophobicContact CG-CD2 4.02Å; L33-E35 PolarHBondContact O-N 3.29Å; L33-V36 HydrophobicContact CB-CG2 4.14Å; L33-V36 HydrophobicContact CD2-CG2 4.11Å; L33-V36 WeakPolarHBondContact O-CB 3.36Å; L33-V36 PolarHBondContact O-N 2.76Å; L33-I240 HydrophobicContact CD1-CD1 4.38Å; L33-I240 HydrophobicContact CD2-CD1 3.57Å; L33-F256 HydrophobicContact CB-CZ 4.01Å; L33-F256 HydrophobicContact CD1-CE1 4.2Å; L33-F256 HydrophobicContact CD1-CZ 4.35Å; L33-L280 HydrophobicContact CD1-CD2 3.81Å
34R89.5Confident86Confident207 Ų20771.9 Ų71.978%0.78139%0.391SS*.THydrogen-bonded Turntrans-58.9-28.7-178.4-73.4179.3-67.9174.80.8114.2D32D32-R34 WeakPolarHBondContact OD1-CB 3.48Å; D32-R34 VanDerWaalsContact OD1-CG 3.25Å; D32-R34 WeakPolarHBondContact OD1-CG 3.36Å; D32-R34 PolarHBondContact OD1-N 3.16Å; D32-R34 IonicContact OD1-NE 2.76Å; D32-R34 PolarHBondContact OD1-NE 3.05Å; D32-R34 VanDerWaalsContact OD1-NE 3.14Å; D32-R34 IonicContact OD2-CZ 3.05Å; D32-R34 IonicContact OD2-NE 2.68Å; D32-R34 PolarHBondContact OD2-NE 3.4Å; D32-R34 IonicContact OD2-NH2 2.79Å; D32-R34 PolarHBondContact OD2-NH2 3.37Å
35E86.9Confident84Confident167 Ų16773.1 Ų73.178%0.7840%0.402SS*.THydrogen-bonded Turntrans-92.3-0.1179.7-60.9-66.5154.100113.1L33L33-E35 PolarHBondContact O-N 3.29Å
36V92.8Very high82.1Confident5 Ų571.4 Ų71.43%0.0341%0.412CS..SBendtrans-75.8130.4175.5179.60000108.6Y24 L33 D38 A254 M255 F256Y24-V36 HydrophobicContact CD1-CG2 4.49Å; Y24-V36 HydrophobicContact CE1-CG2 3.57Å; L33-V36 HydrophobicContact CB-CG2 4.14Å; L33-V36 HydrophobicContact CD2-CG2 4.11Å; L33-V36 WeakPolarHBondContact O-CB 3.36Å; L33-V36 PolarHBondContact O-N 2.76Å; V36-D38 PolarHBondContact O-N 2.76Å; V36-A254 HydrophobicContact CG1-CB 4.4Å; V36-A254 HydrophobicContact CG2-CB 4.3Å; V36-M255 VanDerWaalsContact CG1-C 3.5Å; V36-F256 HydrophobicContact CB-CD2 4.19Å; V36-F256 HydrophobicContact CB-CE1 4.44Å; V36-F256 HydrophobicContact CB-CE2 3.68Å; V36-F256 HydrophobicContact CB-CZ 3.84Å; V36-F256 HydrophobicContact CG1-CD1 4.08Å; V36-F256 HydrophobicContact CG1-CD2 3.64Å; V36-F256 HydrophobicContact CG1-CE1 4.06Å; V36-F256 HydrophobicContact CG1-CE2 3.63Å; V36-F256 HydrophobicContact CG1-CG 3.88Å; V36-F256 HydrophobicContact CG1-CZ 3.86Å
37T92.9Very high80.4Confident8 Ų868.5 Ų68.55%0.04942%0.416CS..BIsolated β-bridgetrans-65.2125.5-177.8-48.90000110.4F39 I49 A254 M255 F256T37-F39 HydrophobicContact CG2-CD2 4.38Å; T37-F39 HydrophobicContact CG2-CE1 4.27Å; T37-F39 HydrophobicContact CG2-CE2 4.03Å; T37-F39 HydrophobicContact CG2-CZ 3.98Å; T37-I49 HydrophobicContact CG2-CD1 3.54Å; T37-I49 HydrophobicContact CG2-CG1 3.82Å; T37-A254 WeakPolarHBondContact CB-O 3.35Å; T37-A254 PolarHBondContact N-O 3.28Å; T37-A254 PolarHBondContact OG1-O 2.84Å; T37-M255 CarbonylContact O-C 3.5Å; T37-M255 VanDerWaalsContact O-CA 3.28Å; T37-M255 WeakPolarHBondContact O-CA 3.41Å; T37-F256 PolarHBondContact O-N 3.27Å
38D92.6Very high80Confident35 Ų3567.1 Ų67.119%0.18741%0.413CS..  trans-119.8100.2175.4-171.2-23.2000110.1V36 S40 S41 F256 H258V36-D38 PolarHBondContact O-N 2.76Å; D38-S40 PolarHBondContact O-N 3.2Å; D38-S40 WeakPolarHBondContact OD1-CA 3.44Å; D38-S40 VanDerWaalsContact OD1-CB 3.26Å; D38-S40 WeakPolarHBondContact OD1-CB 3.39Å; D38-S40 PolarHBondContact OD1-N 2.78Å; D38-S40 PolarHBondContact OD1-OG 2.76Å; D38-S41 PolarHBondContact O-N 3.44Å; D38-S41 PolarHBondContact O-OG 3.46Å; D38-S41 PolarHBondContact OD1-N 2.67Å; D38-F256 HydrophobicContact CB-CD2 3.81Å; D38-F256 HydrophobicContact CB-CE2 4.32Å; D38-H258 IonicContact OD1-NE2 3.26Å; D38-H258 PolarHBondContact OD1-NE2 3.17Å; D38-H258 IonicContact OD2-NE2 3.29Å
39F91.3Very high80.1Confident3 Ų361.6 Ų61.61%0.01338%0.384CS..G310 helixtrans-67.5-19.1179.4-63.3-83.3000113.4T37 I49 F78 L80 F86 F88 S90 M255T37-F39 HydrophobicContact CG2-CD2 4.38Å; T37-F39 HydrophobicContact CG2-CE1 4.27Å; T37-F39 HydrophobicContact CG2-CE2 4.03Å; T37-F39 HydrophobicContact CG2-CZ 3.98Å; F39-I49 HydrophobicContact CD1-CD1 4.08Å; F39-I49 HydrophobicContact CD1-CG1 4.36Å; F39-I49 HydrophobicContact CD1-CG2 3.9Å; F39-I49 HydrophobicContact CE1-CD1 4.24Å; F39-I49 HydrophobicContact CE1-CG1 4.05Å; F39-I49 HydrophobicContact CE1-CG2 3.88Å; F39-F78 HydrophobicContact CB-CD2 3.91Å; F39-F78 HydrophobicContact CB-CE2 4.07Å; F39-F78 HydrophobicContact CD1-CB 3.55Å; F39-F78 AromaticContact CD1-CD2 3.75Å; F39-F78 HydrophobicContact CD1-CD2 3.75Å; F39-F78 AromaticContact CD1-CG 3.7Å; F39-F78 HydrophobicContact CD1-CG 3.7Å; F39-F78 HydrophobicContact CE1-CB 3.72Å; F39-F78 HydrophobicContact CE1-CG 4.37Å; F39-F78 HydrophobicContact CG-CD2 4.22Å; F39-L80 HydrophobicContact CE1-CD2 4Å; F39-L80 HydrophobicContact CE1-CG 4.37Å; F39-L80 HydrophobicContact CZ-CD1 4.09Å; F39-L80 HydrophobicContact CZ-CD2 3.75Å; F39-L80 HydrophobicContact CZ-CG 3.92Å; F39-F86 HydrophobicContact CZ-CE1 4.31Å; F39-F88 HydrophobicContact CB-CD1 3.69Å; F39-F88 HydrophobicContact CB-CE1 3.66Å; F39-F88 HydrophobicContact CB-CZ 4.42Å; F39-F88 HydrophobicContact CD1-CB 4.43Å; F39-F88 HydrophobicContact CD1-CD1 4.27Å; F39-F88 HydrophobicContact CD1-CG 4.39Å; F39-F88 HydrophobicContact CD2-CB 4.31Å; F39-F88 AromaticContact CD2-CD1 3.53Å; F39-F88 HydrophobicContact CD2-CD1 3.53Å; F39-F88 AromaticContact CD2-CD2 3.64Å; F39-F88 HydrophobicContact CD2-CD2 3.64Å; F39-F88 AromaticContact CD2-CE1 3.62Å; F39-F88 HydrophobicContact CD2-CE1 3.62Å; F39-F88 AromaticContact CD2-CE2 3.66Å; F39-F88 HydrophobicContact CD2-CE2 3.66Å; F39-F88 AromaticContact CD2-CG 3.55Å; F39-F88 HydrophobicContact CD2-CG 3.55Å; F39-F88 AromaticContact CD2-CZ 3.67Å; F39-F88 HydrophobicContact CD2-CZ 3.67Å; F39-F88 HydrophobicContact CE1-CB 4.25Å; F39-F88 HydrophobicContact CE1-CG 4.49Å; F39-F88 HydrophobicContact CE2-CB 4.14Å; F39-F88 HydrophobicContact CE2-CD1 4.17Å; F39-F88 AromaticContact CE2-CD2 3.55Å; F39-F88 HydrophobicContact CE2-CD2 3.55Å; F39-F88 HydrophobicContact CE2-CE1 4.5Å; F39-F88 AromaticContact CE2-CE2 3.87Å; F39-F88 HydrophobicContact CE2-CE2 3.87Å; F39-F88 AromaticContact CE2-CG 3.69Å; F39-F88 HydrophobicContact CE2-CG 3.69Å; F39-F88 HydrophobicContact CE2-CZ 4.35Å; F39-F88 HydrophobicContact CG-CB 4.44Å; F39-F88 AromaticContact CG-CD1 3.58Å; F39-F88 HydrophobicContact CG-CD1 3.58Å; F39-F88 HydrophobicContact CG-CD2 4.45Å; F39-F88 AromaticContact CG-CE1 3.86Å; F39-F88 HydrophobicContact CG-CE1 3.86Å; F39-F88 AromaticContact CG-CG 3.92Å; F39-F88 HydrophobicContact CG-CG 3.92Å; F39-F88 HydrophobicContact CG-CZ 4.38Å; F39-F88 HydrophobicContact CZ-CB 4.1Å; F39-F88 HydrophobicContact CZ-CD2 4.3Å; F39-F88 HydrophobicContact CZ-CG 4.16Å; F39-S90 WeakPolarHBondContact CB-OG 3.39Å; F39-S90 PolarHBondContact O-OG 2.64Å; F39-M255 HydrophobicContact CE2-CB 3.89Å; F39-M255 HydrophobicContact CE2-CG 4.34Å; F39-M255 HydrophobicContact CE2-SD 3.87Å; F39-M255 HydrophobicContact CZ-SD 4.43Å
40S86.3Confident80.1Confident46 Ų4660.7 Ų60.732%0.32238%0.376SS..G310 helixtrans-75.9-31.2-179.578.90000112.5D38 G42 R76D38-S40 PolarHBondContact O-N 3.2Å; D38-S40 WeakPolarHBondContact OD1-CA 3.44Å; D38-S40 VanDerWaalsContact OD1-CB 3.26Å; D38-S40 WeakPolarHBondContact OD1-CB 3.39Å; D38-S40 PolarHBondContact OD1-N 2.78Å; D38-S40 PolarHBondContact OD1-OG 2.76Å; S40-G42 VanDerWaalsContact C-N 3.3Å; S40-G42 PolarHBondContact O-N 3.11Å; S40-R76 PolarHBondContact O-NH1 3.33Å
41S78.2Confident80.2Confident68 Ų6862.5 Ų62.548%0.47639%0.388SS..G310 helixtrans-76.6-9.5-171.471.60000114.7D38 A43D38-S41 PolarHBondContact O-N 3.44Å; D38-S41 PolarHBondContact O-OG 3.46Å; D38-S41 PolarHBondContact OD1-N 2.67Å; S41-A43 PolarHBondContact O-N 3.29Å
42G60.6Low80.3Confident65 Ų6564.1 Ų64.167%0.6740%0.398SS*.  trans64.8-6.4-176.800000114.8S40 A44S40-G42 VanDerWaalsContact C-N 3.3Å; S40-G42 PolarHBondContact O-N 3.11Å; G42-A44 PolarHBondContact O-N 2.85Å
43A55.5Low80.4Confident58 Ų5870.2 Ų70.248%0.47942%0.42SS..  trans-74.7113.3175.700000108.6S41 S45S41-A43 PolarHBondContact O-N 3.29Å; A43-S45 VanDerWaalsContact C-N 3.33Å; A43-S45 PolarHBondContact O-N 2.81Å
44A52.7Low80.6Confident69 Ų6969 Ų6957%0.5741%0.414SS*.  trans-62.695.9171.200000108.6G42 G46G42-A44 PolarHBondContact O-N 2.85Å; A44-G46 VanDerWaalsContact C-N 3.31Å; A44-G46 PolarHBondContact O-N 3.19Å
45S53.6Low80.7Confident40 Ų4063 Ų6328%0.2840%0.398SS..SBendtrans-5894.7172.8-56.70000108.9A43 G47 K48A43-S45 VanDerWaalsContact C-N 3.33Å; A43-S45 PolarHBondContact O-N 2.81Å; S45-G47 VanDerWaalsContact C-N 3.26Å; S45-G47 PolarHBondContact O-N 3.49Å; S45-G47 VanDerWaalsContact O-N 3.08Å; S45-K48 PolarHBondContact O-N 2.86Å
46G56.6Low80.9Confident60 Ų6058.5 Ų58.562%0.61938%0.383SS*.THydrogen-bonded Turntrans56.726.8173.500000116.5A44 K48A44-G46 VanDerWaalsContact C-N 3.31Å; A44-G46 PolarHBondContact O-N 3.19Å; G46-K48 PolarHBondContact O-N 3.38Å
47G59.6Low80.9Confident49 Ų4962.5 Ų62.551%0.50542%0.416SS..THydrogen-bonded Turntrans77.610.1176.200000116.3S45S45-G47 VanDerWaalsContact C-N 3.26Å; S45-G47 PolarHBondContact O-N 3.49Å; S45-G47 VanDerWaalsContact O-N 3.08Å
48K82.9Confident81Confident98 Ų9863.9 Ų63.943%0.42643%0.429SS..  trans-86.8-20.8-179.2-65.9-177.3178.9-178.80114.7S45 G46 L80 Q81S45-K48 PolarHBondContact O-N 2.86Å; G46-K48 PolarHBondContact O-N 3.38Å; K48-L80 WeakPolarHBondContact O-CA 3.48Å; K48-Q81 PolarHBondContact O-N 3Å
49I91.2Very high81.2Confident27 Ų2762.5 Ų62.514%0.13842%0.421CS..EExtended strand (participates in β ladder)trans-83.7127.1179.1-55.5176.3000108.3T37 F39 F78 L80T37-I49 HydrophobicContact CG2-CD1 3.54Å; T37-I49 HydrophobicContact CG2-CG1 3.82Å; F39-I49 HydrophobicContact CD1-CD1 4.08Å; F39-I49 HydrophobicContact CD1-CG1 4.36Å; F39-I49 HydrophobicContact CD1-CG2 3.9Å; F39-I49 HydrophobicContact CE1-CD1 4.24Å; F39-I49 HydrophobicContact CE1-CG1 4.05Å; F39-I49 HydrophobicContact CE1-CG2 3.88Å; I49-F78 HydrophobicContact CG2-CB 3.81Å; I49-F78 HydrophobicContact CG2-CD1 3.58Å; I49-F78 HydrophobicContact CG2-CE1 4.44Å; I49-F78 HydrophobicContact CG2-CG 3.94Å; I49-L80 HydrophobicContact CG1-CD2 4.24Å
50V91.4Very high81.5Confident62 Ų6264.5 Ų64.538%0.37644%0.436SS..EExtended strand (participates in β ladder)trans-116.2134.7176-65.60000109.7F78 G79V50-F78 CarbonylContact O-C 3.58Å; V50-F78 VanDerWaalsContact O-CA 3.27Å; V50-F78 WeakPolarHBondContact O-CA 3.32Å; V50-G79 PolarHBondContact N-O 3.17Å; V50-G79 PolarHBondContact O-N 2.89Å
51P93.1Very high81.9Confident115 Ų11564.6 Ų64.675%0.74743%0.433SS*.EExtended strand (participates in β ladder)trans-64.2139.9173.627.5-33.4000109.9
52V95Very high82.7Confident42 Ų4266.9 Ų66.926%0.25544%0.436SS..  trans-106.9126.3174.4169.80000108.3L54 A77 F78 G79 I87V52-L54 HydrophobicContact CG1-CD2 4.14Å; V52-L54 PolarHBondContact O-N 3.14Å; V52-A77 HydrophobicContact CB-CB 4.17Å; V52-A77 PolarHBondContact N-O 3.12Å; V52-F78 VanDerWaalsContact CG2-C 3.47Å; V52-G79 VanDerWaalsContact CG2-N 3.26Å; V52-I87 HydrophobicContact CG1-CD1 4.18Å; V52-I87 HydrophobicContact CG1-CG1 4.34Å; V52-I87 HydrophobicContact CG1-CG2 4.37Å
53K93.8Very high84.3Confident205 Ų20567.3 Ų67.389%0.89142%0.421SS*.  trans-80114.6173.3-172.4177.8179.9-176.40108.6
54L95.9Very high86.2Confident20 Ų2064.6 Ų64.611%0.10540%0.398CS..  trans-83.2164.8170.4-58.4-177.5000110.6V52 P56 I72 W75 A77V52-L54 HydrophobicContact CG1-CD2 4.14Å; V52-L54 PolarHBondContact O-N 3.14Å; L54-P56 WeakPolarHBondContact O-CD 3.47Å; L54-I72 HydrophobicContact CB-CG2 3.84Å; L54-I72 HydrophobicContact CD1-CG2 4.01Å; L54-W75 HydrophobicContact CD1-CB 3.84Å; L54-W75 HydrophobicContact CD1-CD2 4.22Å; L54-W75 HydrophobicContact CD1-CE3 3.55Å; L54-W75 HydrophobicContact CD1-CG 4.4Å; L54-W75 HydrophobicContact CD1-CZ3 4.4Å; L54-A77 HydrophobicContact CD1-CB 3.79Å; L54-A77 HydrophobicContact CD2-CB 3.84Å; L54-A77 HydrophobicContact CG-CB 3.74Å
55D91.6Very high88.2Confident81 Ų8162.2 Ų62.243%0.43338%0.378SS..  trans-92.2101.3170.6-176.22.2000110.1A57 A58 A193D55-A57 PolarHBondContact O-N 2.71Å; D55-A57 WeakPolarHBondContact OD1-CB 3.43Å; D55-A57 PolarHBondContact OD1-N 2.78Å; D55-A58 HydrophobicContact CB-CB 3.97Å; D55-A58 WeakPolarHBondContact O-CB 3.4Å; D55-A58 PolarHBondContact O-N 3.28Å; D55-A193 PolarHBondContact N-O 3.19Å
56P91.4Very high90.2Very high73 Ų7361.3 Ų61.347%0.47437%0.372SS..THydrogen-bonded Turntrans-70.1-13-18031.5-36.9000113.3L54 I72 R73L54-P56 WeakPolarHBondContact O-CD 3.47Å; P56-I72 HydrophobicContact CB-CG2 4.42Å; P56-R73 HydrophobicContact CB-CB 4.48Å
57A93.6Very high92.1Very high88 Ų8858.5 Ų58.573%0.72734%0.343SS*.THydrogen-bonded Turntrans-91.2-8.2177.300000112.8D55 V59D55-A57 PolarHBondContact O-N 2.71Å; D55-A57 WeakPolarHBondContact OD1-CB 3.43Å; D55-A57 PolarHBondContact OD1-N 2.78Å; A57-V59 VanDerWaalsContact C-N 3.27Å; A57-V59 PolarHBondContact O-N 2.89Å
58A95.1Very high93.8Very high38 Ų3856.1 Ų56.131%0.31432%0.319SS..SBendtrans-68-26.1-177.900000113.4D55 A192D55-A58 HydrophobicContact CB-CB 3.97Å; D55-A58 WeakPolarHBondContact O-CB 3.4Å; D55-A58 PolarHBondContact O-N 3.28Å; A58-A192 HydrophobicContact CB-CB 4.43Å
59V96.3Very high94.5Very high5 Ų551.5 Ų51.53%0.0330%0.299CS..SBendtrans-142.7133.1177.5-174.70000108.5A57 E63 A64 I72 R189 A192A57-V59 VanDerWaalsContact C-N 3.27Å; A57-V59 PolarHBondContact O-N 2.89Å; V59-E63 HydrophobicContact CG1-CB 3.52Å; V59-A64 HydrophobicContact CG1-CB 4.27Å; V59-I72 HydrophobicContact CB-CD1 3.55Å; V59-I72 HydrophobicContact CG2-CD1 3.85Å; V59-R189 HydrophobicContact CG1-CB 4.27Å; V59-R189 HydrophobicContact CG1-CG 4.02Å; V59-R189 HydrophobicContact CG2-CB 4.15Å; V59-R189 HydrophobicContact CG2-CG 4.49Å; V59-R189 WeakPolarHBondContact CG2-O 3.47Å; V59-A192 HydrophobicContact CG2-CB 4.09Å
60S96.6Very high94.7Very high46 Ų4653 Ų5332%0.32231%0.305SS..  trans-68.4157.8174.159.60000112.4E62 E63 A64S60-E62 PolarHBondContact O-N 3.14Å; S60-E63 PolarHBondContact N-OE2 2.94Å; S60-E63 VanDerWaalsContact N-OE2 3.08Å; S60-E63 PolarHBondContact O-N 3.34Å; S60-E63 WeakPolarHBondContact OG-CB 3.26Å; S60-E63 WeakPolarHBondContact OG-CG 3.36Å; S60-E63 PolarHBondContact OG-N 3.42Å; S60-E63 PolarHBondContact OG-OE2 3.23Å; S60-A64 PolarHBondContact O-N 3.02Å
61D95.6Very high95Very high48 Ų4851.4 Ų51.426%0.25730%0.296SS..Hα-helixtrans-60.8-36.2178.6-68.8-10.3000111.1A65 P71 R73D61-A65 VanDerWaalsContact O-CB 3.27Å; D61-A65 WeakPolarHBondContact O-CB 3.34Å; D61-A65 PolarHBondContact O-N 2.91Å; D61-P71 HydrophobicContact CB-CG 4.44Å; D61-P71 WeakPolarHBondContact OD1-CB 3.13Å; D61-R73 IonicContact OD1-CZ 2.78Å; D61-R73 IonicContact OD1-NH1 2.78Å; D61-R73 PolarHBondContact OD1-NH1 3.05Å; D61-R73 IonicContact OD2-CZ 3.36Å; D61-R73 IonicContact OD2-NH1 3.73Å; D61-R73 PolarHBondContact OD2-NH1 2.94Å; D61-R73 IonicContact OD2-NH2 3.11Å; D61-R73 PolarHBondContact OD2-NH2 2.79Å
62E94Very high95.2Very high116 Ų11646.2 Ų46.254%0.54226%0.262SS..Hα-helixtrans-65.6-46.2176.7-64.372.1-156.600111.7S60 A64 A65 C66S60-E62 PolarHBondContact O-N 3.14Å; E62-A64 PolarHBondContact O-N 3.07Å; E62-A65 PolarHBondContact O-N 2.81Å; E62-C66 PolarHBondContact O-N 3.36Å; E62-C66 PolarHBondContact O-SG 3.43Å
63E94.7Very high95.2Very high73 Ų7352 Ų5234%0.34128%0.279SS..Hα-helixtrans-65.2-38.7177.4-75.7175.1113.800112.8V59 S60 R189V59-E63 HydrophobicContact CG1-CB 3.52Å; S60-E63 PolarHBondContact N-OE2 2.94Å; S60-E63 VanDerWaalsContact N-OE2 3.08Å; S60-E63 PolarHBondContact O-N 3.34Å; S60-E63 WeakPolarHBondContact OG-CB 3.26Å; S60-E63 WeakPolarHBondContact OG-CG 3.36Å; S60-E63 PolarHBondContact OG-N 3.42Å; S60-E63 PolarHBondContact OG-OE2 3.23Å; E63-R189 IonicContact OE1-CZ 3.5Å; E63-R189 IonicContact OE1-NE 3.15Å; E63-R189 IonicContact OE1-NH2 3.71Å; E63-R189 PolarHBondContact OE1-NH2 2.9Å
64A96Very high95.3Very high1 Ų146.3 Ų46.31%0.00826%0.258CS..Hα-helixtrans-63.6-45.9173.500000110.7V59 S60 E62 C66 V67 G68 L69V59-A64 HydrophobicContact CG1-CB 4.27Å; S60-A64 PolarHBondContact O-N 3.02Å; E62-A64 PolarHBondContact O-N 3.07Å; A64-C66 VanDerWaalsContact C-N 3.31Å; A64-C66 PolarHBondContact O-N 2.76Å; A64-V67 VanDerWaalsContact O-CG2 3.23Å; A64-V67 WeakPolarHBondContact O-CG2 3.46Å; A64-V67 PolarHBondContact O-N 3.37Å; A64-G68 PolarHBondContact O-N 3.43Å; A64-L69 CarbonylContact C-O 3.52Å; A64-L69 HydrophobicContact CB-CB 4.14Å; A64-L69 WeakPolarHBondContact O-CB 3.44Å; A64-L69 PolarHBondContact O-N 3.33Å
65A95Very high95.4Very high19 Ų1946.4 Ų46.416%0.15726%0.257CS..Hα-helixtrans-62.7-35.517900000112.8D61 E62 V67 G68 L94D61-A65 VanDerWaalsContact O-CB 3.27Å; D61-A65 WeakPolarHBondContact O-CB 3.34Å; D61-A65 PolarHBondContact O-N 2.91Å; E62-A65 PolarHBondContact O-N 2.81Å; A65-V67 PolarHBondContact O-N 3.24Å; A65-V67 VanDerWaalsContact O-N 3.14Å; A65-G68 PolarHBondContact O-N 2.59Å; A65-L94 HydrophobicContact CB-CD1 4.22Å
66C94.8Very high95.6Very high21 Ų2148.1 Ų48.114%0.14226%0.258CS..Hα-helixtrans-57.3-27.7177.7-80.40000114E62 A64 S303 V304E62-C66 PolarHBondContact O-N 3.36Å; E62-C66 PolarHBondContact O-SG 3.43Å; A64-C66 VanDerWaalsContact C-N 3.31Å; A64-C66 PolarHBondContact O-N 2.76Å; C66-S303 PolarHBondContact O-OG 2.65Å; C66-V304 VanDerWaalsContact O-CG2 3.27Å; C66-V304 WeakPolarHBondContact O-CG2 3.33Å; C66-V304 PolarHBondContact O-N 3.16Å
67V96.1Very high95.9Very high1 Ų145 Ų451%0.00624%0.238CC..THydrogen-bonded Turntrans-106.18.7176.7-64.40000112.8A64 A65 L69 W101 M185 L186 R189 V304A64-V67 VanDerWaalsContact O-CG2 3.23Å; A64-V67 WeakPolarHBondContact O-CG2 3.46Å; A64-V67 PolarHBondContact O-N 3.37Å; A65-V67 PolarHBondContact O-N 3.24Å; A65-V67 VanDerWaalsContact O-N 3.14Å; V67-L69 HydrophobicContact CG2-CB 4.45Å; V67-L69 HydrophobicContact CG2-CD1 3.67Å; V67-L69 HydrophobicContact CG2-CG 3.9Å; V67-W101 HydrophobicContact CB-CZ2 4.28Å; V67-W101 WeakPolarHBondContact O-CZ2 3.31Å; V67-W101 PolarHBondContact O-NE1 3.25Å; V67-M185 HydrophobicContact CG1-CB 3.83Å; V67-M185 HydrophobicContact CG1-CE 4.45Å; V67-L186 HydrophobicContact CB-CB 4.37Å; V67-L186 HydrophobicContact CB-CD1 4.06Å; V67-L186 HydrophobicContact CG2-CD1 4.06Å; V67-R189 HydrophobicContact CG2-CB 4.47Å; V67-R189 HydrophobicContact CG2-CG 4.27Å; V67-V304 HydrophobicContact CB-CG2 4.39Å; V67-V304 HydrophobicContact CG1-CG2 3.81Å
68G95.6Very high96Very high0 Ų042.4 Ų42.40%021%0.21CC..THydrogen-bonded Turntrans81.523.6177.400000115.4A64 A65 F93 L94 S97A64-G68 PolarHBondContact O-N 3.43Å; A65-G68 PolarHBondContact O-N 2.59Å; G68-F93 CarbonylContact O-C 3.43Å; G68-F93 VanDerWaalsContact O-CA 3.28Å; G68-F93 WeakPolarHBondContact O-CA 3.49Å; G68-F93 WeakPolarHBondContact O-CD1 3.36Å; G68-L94 PolarHBondContact O-N 2.75Å; G68-S97 WeakPolarHBondContact O-CB 3.43Å
69L97.1Very high96.1Very high1 Ų140.8 Ų40.81%0.00520%0.197CC..BIsolated β-bridgetrans-99.6148.3176.6-62.5170.3000110.8A64 V67 W75 P92 F93 L94 L186 R189 I190A64-L69 CarbonylContact C-O 3.52Å; A64-L69 HydrophobicContact CB-CB 4.14Å; A64-L69 WeakPolarHBondContact O-CB 3.44Å; A64-L69 PolarHBondContact O-N 3.33Å; V67-L69 HydrophobicContact CG2-CB 4.45Å; V67-L69 HydrophobicContact CG2-CD1 3.67Å; V67-L69 HydrophobicContact CG2-CG 3.9Å; L69-W75 HydrophobicContact CB-CZ2 3.92Å; L69-W75 HydrophobicContact CD1-CH2 3.95Å; L69-W75 HydrophobicContact CD1-CZ2 3.75Å; L69-W75 HydrophobicContact CD2-CZ2 4.26Å; L69-W75 HydrophobicContact CG-CZ2 4.2Å; L69-P92 WeakPolarHBondContact CA-O 3.28Å; L69-P92 HydrophobicContact CD2-CB 4.23Å; L69-P92 HydrophobicContact CD2-CG 3.99Å; L69-F93 HydrophobicContact CD2-CD1 3.95Å; L69-F93 HydrophobicContact CD2-CE1 3.92Å; L69-F93 HydrophobicContact CD2-CG 4.31Å; L69-F93 HydrophobicContact CD2-CZ 4.26Å; L69-L94 WeakPolarHBondContact O-CG 3.49Å; L69-L186 HydrophobicContact CD1-CD1 3.86Å; L69-L186 HydrophobicContact CD2-CD1 4.07Å; L69-L186 HydrophobicContact CG-CD1 3.95Å; L69-R189 HydrophobicContact CD1-CB 4.33Å; L69-I190 HydrophobicContact CD1-CD1 4.34Å; L69-I190 HydrophobicContact CD1-CG1 3.73Å; L69-I190 HydrophobicContact CD2-CD1 4.44Å
70Q96.8Very high96Very high59 Ų5940.9 Ų40.928%0.27620%0.198SC..PPolyproline II helixtrans-67.2161.1168.5-65.2175.320.600110I72 W75 P92 F93 L94Q70-I72 PolarHBondContact O-N 3.47Å; Q70-W75 PolarHBondContact O-NE1 2.68Å; Q70-P92 PolarHBondContact N-O 3.26Å; Q70-F93 PolarHBondContact NE2-O 3.38Å; Q70-L94 HydrophobicContact CG-CD2 4.04Å; Q70-L94 HydrophobicContact CG-CG 4.42Å
71P97.1Very high95.8Very high28 Ų2845.1 Ų45.118%0.18221%0.212CC..PPolyproline II helixtrans-48.1135.7166.1-30.338.7000111.8D61 R73 D74 W75D61-P71 HydrophobicContact CB-CG 4.44Å; D61-P71 WeakPolarHBondContact OD1-CB 3.13Å; P71-R73 HydrophobicContact CB-CG 3.89Å; P71-R73 PolarHBondContact O-N 2.94Å; P71-R73 VanDerWaalsContact O-N 3.11Å; P71-D74 WeakPolarHBondContact O-CB 3.27Å; P71-D74 PolarHBondContact O-N 2.64Å; P71-W75 PolarHBondContact O-NE1 3.28Å
72I97.4Very high95.6Very high6 Ų646.1 Ų46.13%0.03123%0.234CC..G310 helixtrans-56.8-34.4-176.4-66.4170.1000111.7L54 P56 V59 Q70 D74 W75 A193L54-I72 HydrophobicContact CB-CG2 3.84Å; L54-I72 HydrophobicContact CD1-CG2 4.01Å; P56-I72 HydrophobicContact CB-CG2 4.42Å; V59-I72 HydrophobicContact CB-CD1 3.55Å; V59-I72 HydrophobicContact CG2-CD1 3.85Å; Q70-I72 PolarHBondContact O-N 3.47Å; I72-D74 PolarHBondContact O-N 2.88Å; I72-D74 VanDerWaalsContact O-N 3.1Å; I72-W75 HydrophobicContact CG1-CH2 4.39Å; I72-W75 HydrophobicContact CG1-CZ2 4.11Å; I72-W75 WeakPolarHBondContact O-CB 3.23Å; I72-W75 PolarHBondContact O-N 3.19Å; I72-A193 HydrophobicContact CD1-CB 3.48Å; I72-A193 VanDerWaalsContact CD1-CB 3.48Å; I72-A193 HydrophobicContact CG1-CB 3.95Å; I72-A193 HydrophobicContact CG2-CB 4.2Å
73R95.9Very high95.8Very high162 Ų16242.1 Ų42.161%0.61121%0.214SC*.G310 helixtrans-57.9-22.7177.660.5173.7174-98-3.7114P56 D61 P71P56-R73 HydrophobicContact CB-CB 4.48Å; D61-R73 IonicContact OD1-CZ 2.78Å; D61-R73 IonicContact OD1-NH1 2.78Å; D61-R73 PolarHBondContact OD1-NH1 3.05Å; D61-R73 IonicContact OD2-CZ 3.36Å; D61-R73 IonicContact OD2-NH1 3.73Å; D61-R73 PolarHBondContact OD2-NH1 2.94Å; D61-R73 IonicContact OD2-NH2 3.11Å; D61-R73 PolarHBondContact OD2-NH2 2.79Å; P71-R73 HydrophobicContact CB-CG 3.89Å; P71-R73 PolarHBondContact O-N 2.94Å; P71-R73 VanDerWaalsContact O-N 3.11Å
74D95.8Very high95.9Very high87 Ų8742.5 Ų42.547%0.46522%0.223SC..G310 helixtrans-94.5-6.7-179.1-58.5-31.8000112.1P71 I72P71-D74 WeakPolarHBondContact O-CB 3.27Å; P71-D74 PolarHBondContact O-N 2.64Å; I72-D74 PolarHBondContact O-N 2.88Å; I72-D74 VanDerWaalsContact O-N 3.1Å
75W97Very high95.9Very high22 Ų2243.7 Ų43.78%0.08324%0.236CC..  trans-71.7134-178.2-67.817000111.3L54 L69 Q70 P71 I72 A77 I89 P92 I190 A193L54-W75 HydrophobicContact CD1-CB 3.84Å; L54-W75 HydrophobicContact CD1-CD2 4.22Å; L54-W75 HydrophobicContact CD1-CE3 3.55Å; L54-W75 HydrophobicContact CD1-CG 4.4Å; L54-W75 HydrophobicContact CD1-CZ3 4.4Å; L69-W75 HydrophobicContact CB-CZ2 3.92Å; L69-W75 HydrophobicContact CD1-CH2 3.95Å; L69-W75 HydrophobicContact CD1-CZ2 3.75Å; L69-W75 HydrophobicContact CD2-CZ2 4.26Å; L69-W75 HydrophobicContact CG-CZ2 4.2Å; Q70-W75 PolarHBondContact O-NE1 2.68Å; P71-W75 PolarHBondContact O-NE1 3.28Å; I72-W75 HydrophobicContact CG1-CH2 4.39Å; I72-W75 HydrophobicContact CG1-CZ2 4.11Å; I72-W75 WeakPolarHBondContact O-CB 3.23Å; I72-W75 PolarHBondContact O-N 3.19Å; W75-A77 PolarHBondContact O-N 3.47Å; W75-I89 HydrophobicContact CB-CG2 4.13Å; W75-I89 HydrophobicContact CD2-CG2 4.27Å; W75-I89 HydrophobicContact CE3-CD1 3.8Å; W75-I89 HydrophobicContact CE3-CG2 3.96Å; W75-I89 HydrophobicContact CG-CG2 4.36Å; W75-I89 HydrophobicContact CZ3-CD1 3.86Å; W75-P92 HydrophobicContact CD2-CB 3.66Å; W75-P92 HydrophobicContact CE3-CB 4.24Å; W75-P92 HydrophobicContact CG-CB 3.87Å; W75-P92 HydrophobicContact CZ2-CB 4.18Å; W75-I190 HydrophobicContact CH2-CB 4.45Å; W75-I190 HydrophobicContact CH2-CG1 3.98Å; W75-I190 HydrophobicContact CZ3-CG1 4.48Å; W75-I190 HydrophobicContact CZ3-CG2 4.47Å; W75-A193 HydrophobicContact CE3-CB 4.48Å; W75-A193 HydrophobicContact CH2-CB 4.07Å; W75-A193 HydrophobicContact CZ3-CB 3.76Å
76R96.1Very high96.1Very high117 Ų11743 Ų4344%0.44223%0.229SC..EExtended strand (participates in β ladder)trans-94.695.6172.3-61.2-174.3-60160.93.9109.2S40 F78 I89 S90S40-R76 PolarHBondContact O-NH1 3.33Å; R76-F78 HydrophobicContact CB-CE2 3.72Å; R76-F78 HydrophobicContact CB-CZ 3.83Å; R76-F78 WeakPolarHBondContact O-CE2 3.43Å; R76-I89 WeakPolarHBondContact O-CA 3.45Å; R76-S90 PolarHBondContact O-N 2.76Å
77A97.1Very high96.3Very high6 Ų642.8 Ų42.85%0.0523%0.226CC..EExtended strand (participates in β ladder)trans-105.8139.1179.900000112.3V52 L54 W75 I87 F88 I89V52-A77 HydrophobicContact CB-CB 4.17Å; V52-A77 PolarHBondContact N-O 3.12Å; L54-A77 HydrophobicContact CD1-CB 3.79Å; L54-A77 HydrophobicContact CD2-CB 3.84Å; L54-A77 HydrophobicContact CG-CB 3.74Å; W75-A77 PolarHBondContact O-N 3.47Å; A77-I87 HydrophobicContact CB-CG2 4.44Å; A77-F88 CarbonylContact C-O 3.49Å; A77-F88 WeakPolarHBondContact CA-O 3.4Å; A77-I89 HydrophobicContact CB-CG1 4.13Å
78F96.8Very high96.4Very high34 Ų3442.8 Ų42.815%0.14923%0.226CC..EExtended strand (participates in β ladder)trans-139.2147.7-173-51.6-82.3000110.9F39 I49 V50 V52 R76 I87 F88F39-F78 HydrophobicContact CB-CD2 3.91Å; F39-F78 HydrophobicContact CB-CE2 4.07Å; F39-F78 HydrophobicContact CD1-CB 3.55Å; F39-F78 AromaticContact CD1-CD2 3.75Å; F39-F78 HydrophobicContact CD1-CD2 3.75Å; F39-F78 AromaticContact CD1-CG 3.7Å; F39-F78 HydrophobicContact CD1-CG 3.7Å; F39-F78 HydrophobicContact CE1-CB 3.72Å; F39-F78 HydrophobicContact CE1-CG 4.37Å; F39-F78 HydrophobicContact CG-CD2 4.22Å; I49-F78 HydrophobicContact CG2-CB 3.81Å; I49-F78 HydrophobicContact CG2-CD1 3.58Å; I49-F78 HydrophobicContact CG2-CE1 4.44Å; I49-F78 HydrophobicContact CG2-CG 3.94Å; V50-F78 CarbonylContact O-C 3.58Å; V50-F78 VanDerWaalsContact O-CA 3.27Å; V50-F78 WeakPolarHBondContact O-CA 3.32Å; V52-F78 VanDerWaalsContact CG2-C 3.47Å; R76-F78 HydrophobicContact CB-CE2 3.72Å; R76-F78 HydrophobicContact CB-CZ 3.83Å; R76-F78 WeakPolarHBondContact O-CE2 3.43Å; F78-I87 CarbonylContact O-C 3.55Å; F78-I87 WeakPolarHBondContact O-CA 3.43Å; F78-F88 PolarHBondContact N-O 3.24Å; F78-F88 PolarHBondContact O-N 2.88Å
79G95.9Very high96.5Very high4 Ų442.9 Ų42.94%0.04123%0.227CC..EExtended strand (participates in β ladder)trans-112.1177.9165.500000109.8V50 V52 F86V50-G79 PolarHBondContact N-O 3.17Å; V50-G79 PolarHBondContact O-N 2.89Å; V52-G79 VanDerWaalsContact CG2-N 3.26Å; G79-F86 WeakPolarHBondContact CA-O 3.38Å
80L93.9Very high96.5Very high8 Ų843 Ų434%0.04223%0.228CC..EExtended strand (participates in β ladder)trans-122.5130.2174.1-72173.6000110.2F39 K48 I49 G82 Y83 F86 L243 T253 M255F39-L80 HydrophobicContact CE1-CD2 4Å; F39-L80 HydrophobicContact CE1-CG 4.37Å; F39-L80 HydrophobicContact CZ-CD1 4.09Å; F39-L80 HydrophobicContact CZ-CD2 3.75Å; F39-L80 HydrophobicContact CZ-CG 3.92Å; K48-L80 WeakPolarHBondContact O-CA 3.48Å; I49-L80 HydrophobicContact CG1-CD2 4.24Å; L80-G82 PolarHBondContact O-N 2.92Å; L80-Y83 HydrophobicContact CB-CD2 3.7Å; L80-Y83 HydrophobicContact CB-CG 4.24Å; L80-Y83 PolarHBondContact O-N 3.36Å; L80-F86 HydrophobicContact CB-CD1 4.19Å; L80-F86 HydrophobicContact CD1-CD1 3.91Å; L80-F86 HydrophobicContact CD1-CE1 3.6Å; L80-F86 HydrophobicContact CD1-CZ 4.28Å; L80-F86 HydrophobicContact CG-CD1 3.97Å; L80-F86 HydrophobicContact CG-CE1 3.9Å; L80-L243 HydrophobicContact CD1-CD2 4.39Å; L80-T253 HydrophobicContact CD1-CG2 4.32Å; L80-M255 HydrophobicContact CD1-CE 3.43Å; L80-M255 VanDerWaalsContact CD1-CE 3.43Å; L80-M255 HydrophobicContact CD1-SD 4.43Å
81Q92.5Very high96.5Very high135 Ų13543.1 Ų43.163%0.63123%0.23SC*.THydrogen-bonded Turntrans-57.6127.9174.4-170.8-179.324.400109.9K48 Y83K48-Q81 PolarHBondContact O-N 3Å; Q81-Y83 WeakPolarHBondContact O-CD2 3.28Å
82G93.2Very high96.6Very high69 Ų6941.8 Ų41.871%0.71122%0.222SC*.THydrogen-bonded Turntrans89.1-3.4-175.400000114.9L80 P84L80-G82 PolarHBondContact O-N 2.92Å; G82-P84 VanDerWaalsContact C-CD 3.44Å; G82-P84 WeakPolarHBondContact O-CD 3.45Å
83Y96.6Very high96.5Very high31 Ų3141.7 Ų41.712%0.12222%0.221CC..EExtended strand (participates in β ladder)trans-124.265.3179.6-60-90.7000111.3L80 Q81 G85 F86 L243 G244 T253 L272L80-Y83 HydrophobicContact CB-CD2 3.7Å; L80-Y83 HydrophobicContact CB-CG 4.24Å; L80-Y83 PolarHBondContact O-N 3.36Å; Q81-Y83 WeakPolarHBondContact O-CD2 3.28Å; Y83-G85 PolarHBondContact O-N 3.18Å; Y83-F86 VanDerWaalsContact O-CB 3.26Å; Y83-F86 WeakPolarHBondContact O-CB 3.37Å; Y83-F86 PolarHBondContact O-N 3.12Å; Y83-L243 HydrophobicContact CD1-CD2 3.38Å; Y83-L243 HydrophobicContact CD1-CG 3.67Å; Y83-L243 HydrophobicContact CE1-CB 4.35Å; Y83-L243 HydrophobicContact CE1-CD2 3.84Å; Y83-L243 HydrophobicContact CE1-CG 3.68Å; Y83-L243 HydrophobicContact CG-CD2 3.79Å; Y83-L243 PolarHBondContact OH-O 3.29Å; Y83-L243 VanDerWaalsContact OH-O 3.08Å; Y83-G244 WeakPolarHBondContact CE1-O 3.3Å; Y83-T253 WeakPolarHBondContact CE2-OG1 3.42Å; Y83-T253 PolarHBondContact OH-N 3.01Å; Y83-T253 PolarHBondContact OH-OG1 3.19Å; Y83-L272 HydrophobicContact CD1-CD1 3.67Å; Y83-L272 HydrophobicContact CE1-CD1 4.29Å
84P97.1Very high96.5Very high81 Ų8137 Ų3753%0.52621%0.208SC..EExtended strand (participates in β ladder)trans-60.1137.3-179.724.7-32000111.7G82 F86 P268 S269G82-P84 VanDerWaalsContact C-CD 3.44Å; G82-P84 WeakPolarHBondContact O-CD 3.45Å; P84-F86 VanDerWaalsContact C-N 3.3Å; P84-P268 HydrophobicContact CB-CG 4.39Å; P84-P268 HydrophobicContact CG-CB 3.99Å; P84-P268 HydrophobicContact CG-CG 3.96Å; P84-S269 WeakPolarHBondContact O-CB 3.46Å; P84-S269 PolarHBondContact O-N 3.42Å; P84-S269 VanDerWaalsContact O-N 3.16Å
85G97.4Very high96.2Very high27 Ų2739.9 Ų39.928%0.27821%0.212SC..EExtended strand (participates in β ladder)trans84.2-3.3-176.700000115Y83 S266 S269Y83-G85 PolarHBondContact O-N 3.18Å; G85-S266 CarbonylContact C-O 3.58Å; G85-S266 WeakPolarHBondContact CA-O 3.26Å; G85-S266 WeakPolarHBondContact CA-OG 3.45Å; G85-S266 PolarHBondContact O-N 3.03Å; G85-S266 PolarHBondContact O-OG 2.98Å; G85-S269 PolarHBondContact O-OG 3.1Å
86F98.4Very high95.6Very high4 Ų439.1 Ų39.12%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-83.8126.5170.1179.2-96.3000110.4F39 G79 L80 Y83 P84 F88 L243 M255 M263 M265 S269F39-F86 HydrophobicContact CZ-CE1 4.31Å; G79-F86 WeakPolarHBondContact CA-O 3.38Å; L80-F86 HydrophobicContact CB-CD1 4.19Å; L80-F86 HydrophobicContact CD1-CD1 3.91Å; L80-F86 HydrophobicContact CD1-CE1 3.6Å; L80-F86 HydrophobicContact CD1-CZ 4.28Å; L80-F86 HydrophobicContact CG-CD1 3.97Å; L80-F86 HydrophobicContact CG-CE1 3.9Å; Y83-F86 VanDerWaalsContact O-CB 3.26Å; Y83-F86 WeakPolarHBondContact O-CB 3.37Å; Y83-F86 PolarHBondContact O-N 3.12Å; P84-F86 VanDerWaalsContact C-N 3.3Å; F86-F88 HydrophobicContact CE1-CB 3.93Å; F86-F88 HydrophobicContact CZ-CB 4.23Å; F86-F88 HydrophobicContact CZ-CD2 4.22Å; F86-L243 HydrophobicContact CB-CD2 4.41Å; F86-L243 HydrophobicContact CD1-CD2 4.37Å; F86-L243 HydrophobicContact CD2-CD2 3.51Å; F86-L243 HydrophobicContact CE2-CD2 3.73Å; F86-L243 HydrophobicContact CG-CD2 3.84Å; F86-L243 HydrophobicContact CZ-CD2 4.29Å; F86-M255 HydrophobicContact CE1-CE 4.45Å; F86-M255 HydrophobicContact CE1-SD 4.27Å; F86-M255 HydrophobicContact CE2-SD 4.42Å; F86-M255 HydrophobicContact CZ-CE 4Å; F86-M255 HydrophobicContact CZ-SD 3.58Å; F86-M255 VanDerWaalsContact CZ-SD 3.58Å; F86-M263 HydrophobicContact CD2-CG 4.33Å; F86-M263 HydrophobicContact CE2-CG 3.49Å; F86-M263 VanDerWaalsContact CE2-CG 3.49Å; F86-M263 HydrophobicContact CE2-SD 3.58Å; F86-M263 VanDerWaalsContact CE2-SD 3.58Å; F86-M263 HydrophobicContact CZ-CG 4Å; F86-M263 HydrophobicContact CZ-SD 4.19Å; F86-M265 HydrophobicContact CD2-CG 4.21Å; F86-S269 PolarHBondContact N-OG 2.95Å
87I98.4Very high95.5Very high17 Ų1734 Ų349%0.08719%0.193CC..EExtended strand (participates in β ladder)trans-128135.7174.2-55.9175.5000108.7V52 A77 F78 I89 C194 M263 L264V52-I87 HydrophobicContact CG1-CD1 4.18Å; V52-I87 HydrophobicContact CG1-CG1 4.34Å; V52-I87 HydrophobicContact CG1-CG2 4.37Å; A77-I87 HydrophobicContact CB-CG2 4.44Å; F78-I87 CarbonylContact O-C 3.55Å; F78-I87 WeakPolarHBondContact O-CA 3.43Å; I87-I89 HydrophobicContact CG2-CG1 4.12Å; I87-C194 HydrophobicContact CD1-CB 4.06Å; I87-M263 WeakPolarHBondContact O-CA 3.3Å; I87-L264 HydrophobicContact CB-CB 4.3Å; I87-L264 HydrophobicContact CD1-CD2 4.32Å; I87-L264 PolarHBondContact N-O 3Å; I87-L264 PolarHBondContact O-N 3.17Å
88F98.4Very high95.4Very high1 Ų134 Ų340%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-122.4129174-169.2-74.3000108.9F39 A77 F78 F86 M255 M257 D261 V262F39-F88 HydrophobicContact CB-CD1 3.69Å; F39-F88 HydrophobicContact CB-CE1 3.66Å; F39-F88 HydrophobicContact CB-CZ 4.42Å; F39-F88 HydrophobicContact CD1-CB 4.43Å; F39-F88 HydrophobicContact CD1-CD1 4.27Å; F39-F88 HydrophobicContact CD1-CG 4.39Å; F39-F88 HydrophobicContact CD2-CB 4.31Å; F39-F88 AromaticContact CD2-CD1 3.53Å; F39-F88 HydrophobicContact CD2-CD1 3.53Å; F39-F88 AromaticContact CD2-CD2 3.64Å; F39-F88 HydrophobicContact CD2-CD2 3.64Å; F39-F88 AromaticContact CD2-CE1 3.62Å; F39-F88 HydrophobicContact CD2-CE1 3.62Å; F39-F88 AromaticContact CD2-CE2 3.66Å; F39-F88 HydrophobicContact CD2-CE2 3.66Å; F39-F88 AromaticContact CD2-CG 3.55Å; F39-F88 HydrophobicContact CD2-CG 3.55Å; F39-F88 AromaticContact CD2-CZ 3.67Å; F39-F88 HydrophobicContact CD2-CZ 3.67Å; F39-F88 HydrophobicContact CE1-CB 4.25Å; F39-F88 HydrophobicContact CE1-CG 4.49Å; F39-F88 HydrophobicContact CE2-CB 4.14Å; F39-F88 HydrophobicContact CE2-CD1 4.17Å; F39-F88 AromaticContact CE2-CD2 3.55Å; F39-F88 HydrophobicContact CE2-CD2 3.55Å; F39-F88 HydrophobicContact CE2-CE1 4.5Å; F39-F88 AromaticContact CE2-CE2 3.87Å; F39-F88 HydrophobicContact CE2-CE2 3.87Å; F39-F88 AromaticContact CE2-CG 3.69Å; F39-F88 HydrophobicContact CE2-CG 3.69Å; F39-F88 HydrophobicContact CE2-CZ 4.35Å; F39-F88 HydrophobicContact CG-CB 4.44Å; F39-F88 AromaticContact CG-CD1 3.58Å; F39-F88 HydrophobicContact CG-CD1 3.58Å; F39-F88 HydrophobicContact CG-CD2 4.45Å; F39-F88 AromaticContact CG-CE1 3.86Å; F39-F88 HydrophobicContact CG-CE1 3.86Å; F39-F88 AromaticContact CG-CG 3.92Å; F39-F88 HydrophobicContact CG-CG 3.92Å; F39-F88 HydrophobicContact CG-CZ 4.38Å; F39-F88 HydrophobicContact CZ-CB 4.1Å; F39-F88 HydrophobicContact CZ-CD2 4.3Å; F39-F88 HydrophobicContact CZ-CG 4.16Å; A77-F88 CarbonylContact C-O 3.49Å; A77-F88 WeakPolarHBondContact CA-O 3.4Å; F78-F88 PolarHBondContact N-O 3.24Å; F78-F88 PolarHBondContact O-N 2.88Å; F86-F88 HydrophobicContact CE1-CB 3.93Å; F86-F88 HydrophobicContact CZ-CB 4.23Å; F86-F88 HydrophobicContact CZ-CD2 4.22Å; F88-M255 HydrophobicContact CD2-SD 4.26Å; F88-M255 HydrophobicContact CE2-SD 4.46Å; F88-M257 HydrophobicContact CD2-SD 4.23Å; F88-M257 HydrophobicContact CE2-SD 3.42Å; F88-M257 WeakPolarHBondContact CE2-SD 3.27Å; F88-M257 HydrophobicContact CZ-SD 4.15Å; F88-D261 HydrophobicContact CE1-CB 4.05Å; F88-D261 HydrophobicContact CZ-CB 3.73Å; F88-D261 WeakPolarHBondContact CZ-OD2 3.23Å; F88-V262 CarbonylContact C-O 3.58Å; F88-V262 WeakPolarHBondContact CA-O 3.5Å
89I98.3Very high95.3Very high1 Ų132.4 Ų32.41%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-119.4118.3178.5-49.5164.1000107.8W75 R76 A77 I87 N91 P92 I190 V262W75-I89 HydrophobicContact CB-CG2 4.13Å; W75-I89 HydrophobicContact CD2-CG2 4.27Å; W75-I89 HydrophobicContact CE3-CD1 3.8Å; W75-I89 HydrophobicContact CE3-CG2 3.96Å; W75-I89 HydrophobicContact CG-CG2 4.36Å; W75-I89 HydrophobicContact CZ3-CD1 3.86Å; R76-I89 WeakPolarHBondContact O-CA 3.45Å; A77-I89 HydrophobicContact CB-CG1 4.13Å; I87-I89 HydrophobicContact CG2-CG1 4.12Å; I89-N91 PolarHBondContact O-N 3.41Å; I89-P92 HydrophobicContact CG2-CB 3.84Å; I89-P92 HydrophobicContact CG2-CG 3.9Å; I89-I190 HydrophobicContact CD1-CG2 4.3Å; I89-V262 HydrophobicContact CB-CB 4.18Å; I89-V262 HydrophobicContact CD1-CG1 4.45Å; I89-V262 PolarHBondContact N-O 3.32Å; I89-V262 PolarHBondContact O-N 3.38Å
90S97Very high95.3Very high5 Ų532.6 Ų32.64%0.03519%0.185CC..EExtended strand (participates in β ladder)trans-78.1112.2-179.4-640000110.4F39 R76 D261F39-S90 WeakPolarHBondContact CB-OG 3.39Å; F39-S90 PolarHBondContact O-OG 2.64Å; R76-S90 PolarHBondContact O-N 2.76Å; S90-D261 WeakPolarHBondContact CA-OD1 3.41Å
91N97.2Very high95.5Very high60 Ų6032.2 Ų32.232%0.32118%0.183SC..  trans24.881.5-179.5-177.724.7000115.6I89 F93 Q98 G260 D261I89-N91 PolarHBondContact O-N 3.41Å; N91-F93 PolarHBondContact O-N 3.33Å; N91-F93 PolarHBondContact OD1-N 3.36Å; N91-Q98 VanDerWaalsContact CG-NE2 3.33Å; N91-Q98 PolarHBondContact ND2-NE2 3.3Å; N91-Q98 PolarHBondContact OD1-NE2 3Å; N91-G260 WeakPolarHBondContact CA-O 3.37Å; N91-D261 PolarHBondContact N-OD1 2.93Å
92P97.4Very high95.8Very high1 Ų125.8 Ų25.81%0.00615%0.154CC..  trans-81.26.5178.633.8-34000113.7L69 Q70 W75 I89 G260 V262L69-P92 WeakPolarHBondContact CA-O 3.28Å; L69-P92 HydrophobicContact CD2-CB 4.23Å; L69-P92 HydrophobicContact CD2-CG 3.99Å; Q70-P92 PolarHBondContact N-O 3.26Å; W75-P92 HydrophobicContact CD2-CB 3.66Å; W75-P92 HydrophobicContact CE3-CB 4.24Å; W75-P92 HydrophobicContact CG-CB 3.87Å; W75-P92 HydrophobicContact CZ2-CB 4.18Å; I89-P92 HydrophobicContact CG2-CB 3.84Å; I89-P92 HydrophobicContact CG2-CG 3.9Å; P92-G260 VanDerWaalsContact CD-O 3.32Å; P92-G260 WeakPolarHBondContact CD-O 3.18Å; P92-V262 HydrophobicContact CG-CG2 3.74Å
93F96.8Very high96Very high3 Ų323.5 Ų23.51%0.01312%0.123CC..BIsolated β-bridgetrans-80.2145.6-175-67.4-89.4000112.1G68 L69 Q70 N91 Q98 W101 L186 L233 F235 G260 V262G68-F93 CarbonylContact O-C 3.43Å; G68-F93 VanDerWaalsContact O-CA 3.28Å; G68-F93 WeakPolarHBondContact O-CA 3.49Å; G68-F93 WeakPolarHBondContact O-CD1 3.36Å; L69-F93 HydrophobicContact CD2-CD1 3.95Å; L69-F93 HydrophobicContact CD2-CE1 3.92Å; L69-F93 HydrophobicContact CD2-CG 4.31Å; L69-F93 HydrophobicContact CD2-CZ 4.26Å; Q70-F93 PolarHBondContact NE2-O 3.38Å; N91-F93 PolarHBondContact O-N 3.33Å; N91-F93 PolarHBondContact OD1-N 3.36Å; F93-Q98 HydrophobicContact CB-CG 3.92Å; F93-Q98 HydrophobicContact CD2-CG 4.21Å; F93-Q98 HydrophobicContact CG-CG 3.98Å; F93-W101 AromaticContact CD1-CD1 3.96Å; F93-W101 AromaticContact CE1-CD1 3.5Å; F93-W101 HydrophobicContact CE1-CG 4.43Å; F93-W101 AromaticContact CE1-NE1 3.55Å; F93-L186 HydrophobicContact CE1-CD1 3.98Å; F93-L186 HydrophobicContact CE1-CD2 4.41Å; F93-L186 HydrophobicContact CZ-CD1 4.41Å; F93-L186 HydrophobicContact CZ-CD2 4.44Å; F93-L233 HydrophobicContact CZ-CD2 4.47Å; F93-F235 HydrophobicContact CE1-CZ 4.45Å; F93-F235 HydrophobicContact CE2-CE1 4.02Å; F93-F235 HydrophobicContact CE2-CZ 4.09Å; F93-F235 HydrophobicContact CZ-CE1 4.05Å; F93-F235 AromaticContact CZ-CZ 3.79Å; F93-F235 HydrophobicContact CZ-CZ 3.79Å; F93-G260 WeakPolarHBondContact CE2-O 3.36Å; F93-V262 HydrophobicContact CE2-CG2 4.3Å
94L94.4Very high96Very high64 Ų6422.6 Ų22.634%0.33512%0.12SC..PPolyproline II helixtrans-60149.2164.6-71.6168000109.8A65 G68 L69 Q70 G96 S97A65-L94 HydrophobicContact CB-CD1 4.22Å; G68-L94 PolarHBondContact O-N 2.75Å; L69-L94 WeakPolarHBondContact O-CG 3.49Å; Q70-L94 HydrophobicContact CG-CD2 4.04Å; Q70-L94 HydrophobicContact CG-CG 4.42Å; L94-G96 PolarHBondContact O-N 2.93Å; L94-S97 WeakPolarHBondContact CB-OG 3.25Å; L94-S97 WeakPolarHBondContact O-CB 3.44Å; L94-S97 PolarHBondContact O-N 3.11Å; L94-S97 VanDerWaalsContact O-N 3.07Å
95R89.4Confident96.1Very high147 Ų14718.8 Ų18.856%0.55510%0.095SC*.THydrogen-bonded Turntrans-59.2132.2176.4-165.5179.4-169.3-165.63.3109.1S97 E292R95-S97 VanDerWaalsContact C-N 3.29Å; R95-S97 PolarHBondContact O-N 3.3Å; R95-E292 IonicContact CZ-OE1 3.8Å; R95-E292 IonicContact NH2-OE1 2.74Å; R95-E292 PolarHBondContact NH2-OE1 3.1Å; R95-E292 IonicContact NH2-OE2 3.92Å
96G86.4Confident96.1Very high6 Ų617.5 Ų17.56%0.0628%0.082CC..THydrogen-bonded Turntrans86.8-20-176.700000115.6L94 Q98 A99 L293L94-G96 PolarHBondContact O-N 2.93Å; G96-Q98 PolarHBondContact O-N 3Å; G96-A99 PolarHBondContact O-N 3.24Å; G96-L293 CarbonylContact C-O 3.31Å; G96-L293 VanDerWaalsContact C-O 3.31Å; G96-L293 WeakPolarHBondContact CA-O 3.25Å
97S92.8Very high96.1Very high10 Ų1020.3 Ų20.37%0.0710%0.095CC..THydrogen-bonded Turntrans-77.3-22.1-170.5-62.90000114.4G68 L94 R95 A99 F100 L305G68-S97 WeakPolarHBondContact O-CB 3.43Å; L94-S97 WeakPolarHBondContact CB-OG 3.25Å; L94-S97 WeakPolarHBondContact O-CB 3.44Å; L94-S97 PolarHBondContact O-N 3.11Å; L94-S97 VanDerWaalsContact O-N 3.07Å; R95-S97 VanDerWaalsContact C-N 3.29Å; R95-S97 PolarHBondContact O-N 3.3Å; S97-A99 PolarHBondContact O-N 3.31Å; S97-F100 PolarHBondContact O-N 2.94Å; S97-L305 WeakPolarHBondContact OG-CD1 3.34Å
98Q95.3Very high96.1Very high5 Ų522.4 Ų22.42%0.02311%0.108CC..Hα-helixtrans-63.7-27.5176.9-59.9-1732000112.4N91 F93 G96 F100 W101 V102 F235 S259 G260 L293N91-Q98 VanDerWaalsContact CG-NE2 3.33Å; N91-Q98 PolarHBondContact ND2-NE2 3.3Å; N91-Q98 PolarHBondContact OD1-NE2 3Å; F93-Q98 HydrophobicContact CB-CG 3.92Å; F93-Q98 HydrophobicContact CD2-CG 4.21Å; F93-Q98 HydrophobicContact CG-CG 3.98Å; G96-Q98 PolarHBondContact O-N 3Å; Q98-F100 VanDerWaalsContact C-N 3.27Å; Q98-F100 PolarHBondContact O-N 3.28Å; Q98-W101 PolarHBondContact O-N 3.42Å; Q98-V102 WeakPolarHBondContact O-CG2 3.45Å; Q98-V102 PolarHBondContact O-N 3.48Å; Q98-F235 HydrophobicContact CB-CD1 4.05Å; Q98-F235 HydrophobicContact CB-CE1 4.08Å; Q98-F235 HydrophobicContact CG-CD1 4.18Å; Q98-F235 HydrophobicContact CG-CE1 3.99Å; Q98-S259 PolarHBondContact NE2-O 2.93Å; Q98-S259 PolarHBondContact OE1-OG 2.98Å; Q98-G260 VanDerWaalsContact NE2-CA 3.28Å; Q98-L293 HydrophobicContact CB-CD2 4.14Å; Q98-L293 HydrophobicContact CG-CD2 4.32Å
99A94.4Very high96.1Very high2 Ų222.6 Ų22.62%0.01711%0.109CC..Hα-helixtrans-59.6-38.7-179.800000112.5G96 S97 V102 R103 L293 V308 W313G96-A99 PolarHBondContact O-N 3.24Å; S97-A99 PolarHBondContact O-N 3.31Å; A99-V102 PolarHBondContact O-N 3.29Å; A99-R103 WeakPolarHBondContact O-CB 3.47Å; A99-R103 PolarHBondContact O-N 3.49Å; A99-L293 WeakPolarHBondContact CB-O 3.01Å; A99-V308 HydrophobicContact CB-CG2 4.15Å; A99-W313 HydrophobicContact CB-CD2 4.22Å; A99-W313 HydrophobicContact CB-CE3 3.58Å; A99-W313 HydrophobicContact CB-CH2 3.99Å; A99-W313 HydrophobicContact CB-CZ3 3.47Å; A99-W313 VanDerWaalsContact CB-CZ3 3.47Å
100F96.1Very high96Very high7 Ų722.5 Ų22.53%0.03111%0.108CC..Hα-helixtrans-59.3-51.5174.8172.1-95.6000111.1S97 Q98 V102 R103 Q104 D182 V304 L305 E306 V308S97-F100 PolarHBondContact O-N 2.94Å; Q98-F100 VanDerWaalsContact C-N 3.27Å; Q98-F100 PolarHBondContact O-N 3.28Å; F100-V102 VanDerWaalsContact C-N 3.34Å; F100-V102 PolarHBondContact O-N 3.45Å; F100-R103 VanDerWaalsContact CE2-NH2 3.28Å; F100-R103 WeakPolarHBondContact O-CB 3.46Å; F100-R103 PolarHBondContact O-N 2.81Å; F100-R103 VanDerWaalsContact O-N 3.14Å; F100-Q104 HydrophobicContact CD1-CG 4.14Å; F100-Q104 HydrophobicContact CD2-CG 4.49Å; F100-Q104 HydrophobicContact CE1-CG 3.71Å; F100-Q104 HydrophobicContact CE2-CG 4.11Å; F100-Q104 HydrophobicContact CZ-CG 3.7Å; F100-Q104 WeakPolarHBondContact O-CG 3.46Å; F100-Q104 PolarHBondContact O-N 2.79Å; F100-D182 HydrophobicContact CZ-CB 4.46Å; F100-V304 WeakPolarHBondContact CE2-O 3.4Å; F100-V304 VanDerWaalsContact CZ-O 3.3Å; F100-V304 WeakPolarHBondContact CZ-O 3.38Å; F100-L305 HydrophobicContact CB-CD2 3.94Å; F100-L305 HydrophobicContact CD1-CD2 3.34Å; F100-L305 HydrophobicContact CE1-CD2 3.93Å; F100-L305 HydrophobicContact CG-CB 4.43Å; F100-L305 HydrophobicContact CG-CD2 3.68Å; F100-E306 HydrophobicContact CD2-CB 4.28Å; F100-E306 VanDerWaalsContact CD2-N 3.35Å; F100-E306 HydrophobicContact CE2-CB 4.08Å; F100-E306 HydrophobicContact CE2-CG 4.32Å; F100-V308 HydrophobicContact CB-CG2 4.41Å
101W98Very high96Very high0 Ų023.8 Ų23.80%011%0.114CC..Hα-helixtrans-64.6-37.8-178.6-62.9114000112.7V67 F93 Q98 Q104 C105 D182 L186 F235 L305 M327V67-W101 HydrophobicContact CB-CZ2 4.28Å; V67-W101 WeakPolarHBondContact O-CZ2 3.31Å; V67-W101 PolarHBondContact O-NE1 3.25Å; F93-W101 AromaticContact CD1-CD1 3.96Å; F93-W101 AromaticContact CE1-CD1 3.5Å; F93-W101 HydrophobicContact CE1-CG 4.43Å; F93-W101 AromaticContact CE1-NE1 3.55Å; Q98-W101 PolarHBondContact O-N 3.42Å; W101-Q104 PolarHBondContact O-N 2.91Å; W101-C105 PolarHBondContact O-N 3.32Å; W101-C105 PolarHBondContact O-SG 3.35Å; W101-D182 HydrophobicContact CH2-CB 4.09Å; W101-D182 WeakPolarHBondContact CH2-O 3.42Å; W101-D182 HydrophobicContact CZ3-CB 4.19Å; W101-L186 HydrophobicContact CD2-CD2 3.91Å; W101-L186 HydrophobicContact CE3-CD2 4.11Å; W101-L186 HydrophobicContact CH2-CB 3.73Å; W101-L186 HydrophobicContact CH2-CD2 4Å; W101-L186 HydrophobicContact CH2-CG 4.35Å; W101-L186 HydrophobicContact CZ2-CB 3.8Å; W101-L186 HydrophobicContact CZ2-CD1 3.99Å; W101-L186 HydrophobicContact CZ2-CD2 3.78Å; W101-L186 HydrophobicContact CZ2-CG 4.06Å; W101-L186 HydrophobicContact CZ3-CB 4.44Å; W101-L186 HydrophobicContact CZ3-CD2 4.16Å; W101-F235 HydrophobicContact CB-CE1 4.19Å; W101-F235 HydrophobicContact CB-CE2 4.26Å; W101-F235 HydrophobicContact CB-CZ 3.84Å; W101-F235 HydrophobicContact CG-CZ 4.35Å; W101-L305 HydrophobicContact CZ2-CD2 4.11Å; W101-M327 HydrophobicContact CB-CE 4.28Å; W101-M327 HydrophobicContact CE3-CE 4.35Å
102V97.9Very high95.9Very high1 Ų123.6 Ų23.61%0.00611%0.11CC..Hα-helixtrans-62.6-46.6172.2172.60000110.8Q98 A99 F100 Q104 C105 L106 F235 W313 C316 I320Q98-V102 WeakPolarHBondContact O-CG2 3.45Å; Q98-V102 PolarHBondContact O-N 3.48Å; A99-V102 PolarHBondContact O-N 3.29Å; F100-V102 VanDerWaalsContact C-N 3.34Å; F100-V102 PolarHBondContact O-N 3.45Å; V102-Q104 VanDerWaalsContact C-N 3.34Å; V102-Q104 PolarHBondContact O-N 3.37Å; V102-C105 PolarHBondContact O-N 2.84Å; V102-L106 HydrophobicContact CG1-CD1 3.73Å; V102-L106 HydrophobicContact CG1-CG 4.35Å; V102-L106 WeakPolarHBondContact O-CG 3.17Å; V102-L106 PolarHBondContact O-N 2.97Å; V102-F235 HydrophobicContact CG2-CB 3.75Å; V102-F235 HydrophobicContact CG2-CD1 4.24Å; V102-F235 HydrophobicContact CG2-CG 4.06Å; V102-W313 HydrophobicContact CB-CZ3 4.38Å; V102-W313 HydrophobicContact CG1-CZ3 4.34Å; V102-C316 HydrophobicContact CG1-CB 3.89Å; V102-I320 HydrophobicContact CG1-CD1 4.2Å; V102-I320 HydrophobicContact CG1-CG2 3.85Å; V102-I320 HydrophobicContact CG2-CD1 4.26Å
103R97.4Very high95.8Very high20 Ų2028 Ų288%0.07514%0.139CC..Hα-helixtrans-58-47.1175.6-177.9-153.172.4176.99.2110.5A99 F100 C105 L106 K107 E306 V308A99-R103 WeakPolarHBondContact O-CB 3.47Å; A99-R103 PolarHBondContact O-N 3.49Å; F100-R103 VanDerWaalsContact CE2-NH2 3.28Å; F100-R103 WeakPolarHBondContact O-CB 3.46Å; F100-R103 PolarHBondContact O-N 2.81Å; F100-R103 VanDerWaalsContact O-N 3.14Å; R103-C105 VanDerWaalsContact C-N 3.31Å; R103-C105 PolarHBondContact O-N 3.21Å; R103-L106 PolarHBondContact O-N 3.29Å; R103-L106 VanDerWaalsContact O-N 3.16Å; R103-K107 HydrophobicContact CG-CB 4.22Å; R103-K107 HydrophobicContact CG-CD 4.3Å; R103-K107 WeakPolarHBondContact O-CA 3.14Å; R103-K107 VanDerWaalsContact O-CB 3.25Å; R103-K107 WeakPolarHBondContact O-CB 3.12Å; R103-K107 PolarHBondContact O-N 2.83Å; R103-E306 IonicContact CZ-OE2 3.94Å; R103-E306 IonicContact NH1-OE2 3.14Å; R103-E306 PolarHBondContact NH1-OE2 3.47Å; R103-E306 IonicContact NH2-OE2 3.94Å; R103-E306 PolarHBondContact NH2-OE2 3.06Å; R103-V308 HydrophobicContact CB-CG1 4.28Å; R103-V308 HydrophobicContact CB-CG2 4.23Å; R103-V308 HydrophobicContact CG-CG1 4.31Å
104Q98.4Very high95.9Very high13 Ų1328.6 Ų28.66%0.06114%0.142CC..Iπ-helixtrans-57.1-46.2178.1-68.1-57.882.300111.5F100 W101 V102 L106 T108 Y109 D182F100-Q104 HydrophobicContact CD1-CG 4.14Å; F100-Q104 HydrophobicContact CD2-CG 4.49Å; F100-Q104 HydrophobicContact CE1-CG 3.71Å; F100-Q104 HydrophobicContact CE2-CG 4.11Å; F100-Q104 HydrophobicContact CZ-CG 3.7Å; F100-Q104 WeakPolarHBondContact O-CG 3.46Å; F100-Q104 PolarHBondContact O-N 2.79Å; W101-Q104 PolarHBondContact O-N 2.91Å; V102-Q104 VanDerWaalsContact C-N 3.34Å; V102-Q104 PolarHBondContact O-N 3.37Å; Q104-L106 VanDerWaalsContact C-N 3.34Å; Q104-L106 PolarHBondContact O-N 3.33Å; Q104-T108 PolarHBondContact O-N 3.41Å; Q104-T108 VanDerWaalsContact O-N 3.08Å; Q104-T108 PolarHBondContact OE1-OG1 3.36Å; Q104-Y109 HydrophobicContact CB-CD2 3.99Å; Q104-Y109 HydrophobicContact CB-CE1 4.12Å; Q104-Y109 HydrophobicContact CB-CE2 3.52Å; Q104-Y109 PolarHBondContact O-N 3.37Å; Q104-D182 PolarHBondContact NE2-OD2 2.97Å
105C98.5Very high96Very high0 Ų027.9 Ų27.90%014%0.14CC..Iπ-helixtrans-64-34.6177.6-650000113.7W101 V102 R103 P110 L206 Y208 V325 M327W101-C105 PolarHBondContact O-N 3.32Å; W101-C105 PolarHBondContact O-SG 3.35Å; V102-C105 PolarHBondContact O-N 2.84Å; R103-C105 VanDerWaalsContact C-N 3.31Å; R103-C105 PolarHBondContact O-N 3.21Å; C105-P110 WeakPolarHBondContact O-CD 3.14Å; C105-P110 WeakPolarHBondContact O-CG 3.05Å; C105-L206 HydrophobicContact CB-CD2 4.06Å; C105-Y208 WeakPolarHBondContact O-CE1 3.5Å; C105-Y208 PolarHBondContact O-OH 2.83Å; C105-V325 HydrophobicContact CB-CG1 3.77Å; C105-M327 PolarHBondContact SG-SD 3.39Å
106L97.9Very high96.4Very high0 Ų020.9 Ų20.90%011%0.114CC..Iπ-helixtrans-94.6-32.7-173.5-63.7178.7000113.4V102 R103 Q104 W131 L152 Y208 C316 Y319 I320 V325V102-L106 HydrophobicContact CG1-CD1 3.73Å; V102-L106 HydrophobicContact CG1-CG 4.35Å; V102-L106 WeakPolarHBondContact O-CG 3.17Å; V102-L106 PolarHBondContact O-N 2.97Å; R103-L106 PolarHBondContact O-N 3.29Å; R103-L106 VanDerWaalsContact O-N 3.16Å; Q104-L106 VanDerWaalsContact C-N 3.34Å; Q104-L106 PolarHBondContact O-N 3.33Å; L106-W131 HydrophobicContact CB-CZ3 3.89Å; L106-L152 HydrophobicContact CB-CD1 4.29Å; L106-L152 HydrophobicContact CB-CD2 4.22Å; L106-L152 HydrophobicContact CD2-CD1 4.07Å; L106-L152 HydrophobicContact CD2-CD2 4.3Å; L106-L152 HydrophobicContact CD2-CG 4.39Å; L106-L152 VanDerWaalsContact O-CD1 3.31Å; L106-L152 WeakPolarHBondContact O-CD1 3.3Å; L106-Y208 HydrophobicContact CD2-CD1 4.15Å; L106-Y208 HydrophobicContact CD2-CE1 3.98Å; L106-C316 HydrophobicContact CD1-CB 4.08Å; L106-Y319 HydrophobicContact CD1-CD1 3.84Å; L106-Y319 HydrophobicContact CD1-CG 4.1Å; L106-Y319 HydrophobicContact CD2-CD1 3.53Å; L106-Y319 HydrophobicContact CD2-CE1 3.51Å; L106-Y319 HydrophobicContact CD2-CG 4.17Å; L106-Y319 HydrophobicContact CG-CD1 4.37Å; L106-I320 HydrophobicContact CD1-CG2 4.36Å; L106-V325 HydrophobicContact CD2-CG2 4.12Å
107K97.5Very high97Very high64 Ų6421.8 Ų21.828%0.27812%0.117SC..Iπ-helixtrans-105.4-44-172.2-177.7170.2-178.3173.10112.7R103 Q111 W131 D312R103-K107 HydrophobicContact CG-CB 4.22Å; R103-K107 HydrophobicContact CG-CD 4.3Å; R103-K107 WeakPolarHBondContact O-CA 3.14Å; R103-K107 VanDerWaalsContact O-CB 3.25Å; R103-K107 WeakPolarHBondContact O-CB 3.12Å; R103-K107 PolarHBondContact O-N 2.83Å; K107-Q111 WeakPolarHBondContact O-CG 3.38Å; K107-Q111 PolarHBondContact O-NE2 2.86Å; K107-W131 HydrophobicContact CB-CD2 3.71Å; K107-W131 HydrophobicContact CB-CE3 3.6Å; K107-W131 HydrophobicContact CB-CG 4.23Å; K107-W131 HydrophobicContact CB-CH2 4.33Å; K107-W131 HydrophobicContact CB-CZ2 4.44Å; K107-W131 HydrophobicContact CB-CZ3 3.92Å; K107-W131 HydrophobicContact CD-CD2 3.97Å; K107-W131 HydrophobicContact CD-CG 4.2Å; K107-W131 HydrophobicContact CD-CZ2 4.01Å; K107-W131 HydrophobicContact CG-CB 4.24Å; K107-W131 HydrophobicContact CG-CD2 3.59Å; K107-W131 HydrophobicContact CG-CE3 4.05Å; K107-W131 HydrophobicContact CG-CG 3.67Å; K107-W131 HydrophobicContact CG-CZ2 4.47Å; K107-D312 IonicContact NZ-OD1 2.71Å; K107-D312 PolarHBondContact NZ-OD1 2.86Å; K107-D312 IonicContact NZ-OD2 2.72Å; K107-D312 PolarHBondContact NZ-OD2 2.72Å
108T97.6Very high97.2Very high60 Ų6021.5 Ų21.537%0.36812%0.115SC..Iπ-helixtrans-96.7-60.5-166.1-50.60000112Q104 P110 Q111Q104-T108 PolarHBondContact O-N 3.41Å; Q104-T108 VanDerWaalsContact O-N 3.08Å; Q104-T108 PolarHBondContact OE1-OG1 3.36Å; T108-P110 VanDerWaalsContact C-CD 3.44Å; T108-Q111 WeakPolarHBondContact O-CB 3.27Å; T108-Q111 WeakPolarHBondContact O-CG 3.37Å; T108-Q111 PolarHBondContact O-N 3.3Å; T108-Q111 VanDerWaalsContact O-N 3.12Å
109Y98.4Very high97.2Very high5 Ų523.4 Ų23.42%0.0213%0.125CC..THydrogen-bonded Turntrans-63.9-31.2-173.6-60.2-25.5000115.2Q104 Q111 N114 V158 L160 P180 D182 L183 L206 M327Q104-Y109 HydrophobicContact CB-CD2 3.99Å; Q104-Y109 HydrophobicContact CB-CE1 4.12Å; Q104-Y109 HydrophobicContact CB-CE2 3.52Å; Q104-Y109 PolarHBondContact O-N 3.37Å; Y109-Q111 PolarHBondContact O-N 3.42Å; Y109-N114 WeakPolarHBondContact O-CB 3.18Å; Y109-N114 PolarHBondContact O-ND2 3.14Å; Y109-V158 WeakPolarHBondContact O-CG1 3.33Å; Y109-L160 HydrophobicContact CD2-CD1 4.26Å; Y109-L160 HydrophobicContact CG-CD1 4.2Å; Y109-P180 HydrophobicContact CD1-CB 4.35Å; Y109-P180 HydrophobicContact CD1-CG 3.94Å; Y109-P180 HydrophobicContact CE1-CB 3.59Å; Y109-P180 HydrophobicContact CE1-CG 3.68Å; Y109-D182 PolarHBondContact OH-OD1 2.82Å; Y109-D182 PolarHBondContact OH-OD2 3.4Å; Y109-L183 HydrophobicContact CE2-CD2 4.39Å; Y109-L206 HydrophobicContact CD2-CD2 3.74Å; Y109-L206 HydrophobicContact CG-CD2 4.42Å; Y109-M327 HydrophobicContact CE2-SD 4.26Å
110P97.8Very high97.2Very high0 Ų028.4 Ų28.40%015%0.149CC..THydrogen-bonded Turntrans-67.7-17.7174.9-2335.5000114.6C105 T108 I130 L155 V158C105-P110 WeakPolarHBondContact O-CD 3.14Å; C105-P110 WeakPolarHBondContact O-CG 3.05Å; T108-P110 VanDerWaalsContact C-CD 3.44Å; P110-I130 HydrophobicContact CB-CD1 3.98Å; P110-I130 WeakPolarHBondContact O-CD1 3.46Å; P110-L155 HydrophobicContact CB-CD2 3.89Å; P110-L155 HydrophobicContact CG-CD2 3.76Å; P110-V158 HydrophobicContact CB-CG2 4.02Å; P110-V158 HydrophobicContact CG-CG2 4.22Å
111Q95.7Very high97Very high32 Ų3235.7 Ų35.715%0.1518%0.183CC..SBendtrans-74.8160.9-176.5-50.4-53.3-23.500111.9K107 T108 Y109 N114 Q128K107-Q111 WeakPolarHBondContact O-CG 3.38Å; K107-Q111 PolarHBondContact O-NE2 2.86Å; T108-Q111 WeakPolarHBondContact O-CB 3.27Å; T108-Q111 WeakPolarHBondContact O-CG 3.37Å; T108-Q111 PolarHBondContact O-N 3.3Å; T108-Q111 VanDerWaalsContact O-N 3.12Å; Y109-Q111 PolarHBondContact O-N 3.42Å; Q111-N114 WeakPolarHBondContact O-CB 3.31Å; Q111-N114 PolarHBondContact O-N 3.48Å; Q111-N114 VanDerWaalsContact O-N 3.09Å; Q111-Q128 PolarHBondContact OE1-O 3.5Å
112K95.3Very high96.8Very high56 Ų5637.3 Ų37.324%0.24319%0.191CC..THydrogen-bonded Turntrans-61.2142.3172.2-58.5-65.9151.3-1390110.2N114 D119 T127K112-N114 PolarHBondContact NZ-O 2.73Å; K112-D119 VanDerWaalsContact CE-OD1 3.23Å; K112-D119 WeakPolarHBondContact CE-OD1 3.36Å; K112-D119 IonicContact NZ-OD1 3.32Å; K112-D119 PolarHBondContact NZ-OD1 2.86Å; K112-D119 IonicContact NZ-OD2 3.41Å; K112-D119 PolarHBondContact NZ-OD2 2.74Å; K112-T127 WeakPolarHBondContact CE-OG1 3.19Å
113P96.1Very high96.6Very high93 Ų9339.3 Ų39.360%0.60421%0.205SC*.THydrogen-bonded Turncis-86.91.615.835.4-37.6000115.7T177P113-T177 HydrophobicContact CB-CG2 3.77Å; P113-T177 HydrophobicContact CG-CG2 3.76Å; P113-T177 WeakPolarHBondContact O-CG2 3.35Å
114N97.8Very high96.3Very high15 Ų1543 Ų438%0.0823%0.232CC..SBendtrans-67.1155.3-177.3-59.2-41.9000112.4Y109 Q111 K112 V158 L160 T177Y109-N114 WeakPolarHBondContact O-CB 3.18Å; Y109-N114 PolarHBondContact O-ND2 3.14Å; Q111-N114 WeakPolarHBondContact O-CB 3.31Å; Q111-N114 PolarHBondContact O-N 3.48Å; Q111-N114 VanDerWaalsContact O-N 3.09Å; K112-N114 PolarHBondContact NZ-O 2.73Å; N114-V158 HydrophobicContact CB-CG1 4.25Å; N114-L160 HydrophobicContact CB-CD2 3.98Å; N114-L160 VanDerWaalsContact ND2-CD2 3.29Å; N114-L160 WeakPolarHBondContact ND2-CD2 3.24Å; N114-T177 PolarHBondContact OD1-OG1 3.4Å
115V97.5Very high96Very high50 Ų5047 Ų4730%0.30326%0.261SS..EExtended strand (participates in β ladder)trans-100.2136.8-176-1750000109.6W157 V158 T159V115-W157 HydrophobicContact CG1-CH2 4.01Å; V115-W157 HydrophobicContact CG1-CZ3 4Å; V115-V158 CarbonylContact O-C 3.51Å; V115-V158 WeakPolarHBondContact O-CA 3.45Å; V115-T159 PolarHBondContact O-N 2.76Å
116C97.9Very high95.7Very high0 Ų049.7 Ų49.70%028%0.275CS..EExtended strand (participates in β ladder)trans-137.9168.7178.176.60000111.7L118 D119 L155 W157 V158C116-L118 PolarHBondContact O-N 2.83Å; C116-L118 VanDerWaalsContact O-N 3.12Å; C116-D119 PolarHBondContact N-OD2 2.84Å; C116-D119 WeakPolarHBondContact O-CB 3.47Å; C116-D119 PolarHBondContact O-N 2.75Å; C116-D119 PolarHBondContact SG-OD2 2.95Å; C116-D119 VanDerWaalsContact SG-OD2 3.41Å; C116-L155 HydrophobicContact CB-CD1 3.81Å; C116-W157 VanDerWaalsContact C-CZ3 3.41Å; C116-W157 VanDerWaalsContact CA-CZ3 3.43Å; C116-W157 VanDerWaalsContact CA-O 3.29Å; C116-W157 WeakPolarHBondContact CA-O 3.5Å; C116-W157 WeakPolarHBondContact CB-O 3.21Å; C116-W157 WeakPolarHBondContact O-CH2 3.45Å; C116-V158 HydrophobicContact CB-CG2 3.76Å
117N98Very high95.5Very high24 Ų2449.7 Ų49.713%0.12828%0.275CS..G310 helixtrans-62.9-20.7-17971.8-77.6000114.5D119 R154 R156 W157N117-D119 VanDerWaalsContact C-N 3.3Å; N117-R154 PolarHBondContact ND2-O 3.12Å; N117-R156 HydrophobicContact CB-CB 4.31Å; N117-R156 PolarHBondContact OD1-N 3.03Å; N117-W157 VanDerWaalsContact CA-CZ2 3.43Å; N117-W157 HydrophobicContact CB-CD2 3.92Å; N117-W157 VanDerWaalsContact CB-CE2 3.44Å; N117-W157 HydrophobicContact CB-CG 4.06Å; N117-W157 HydrophobicContact CB-CZ2 3.9Å; N117-W157 VanDerWaalsContact CB-NE1 3.34Å; N117-W157 PolarHBondContact N-O 3.4Å; N117-W157 PolarHBondContact OD1-N 3.43Å; N117-W157 PolarHBondContact OD1-O 3.08Å
118L97.5Very high95.2Very high5 Ų552 Ų523%0.02629%0.287CS..G310 helixtrans-71.7-29.3-179.5-58-179.8000111.5C116 M120 H121 M122 T127 I130 L151 R154 L155C116-L118 PolarHBondContact O-N 2.83Å; C116-L118 VanDerWaalsContact O-N 3.12Å; L118-M120 PolarHBondContact O-N 2.94Å; L118-H121 PolarHBondContact O-N 3.04Å; L118-M122 HydrophobicContact CB-SD 4.03Å; L118-M122 HydrophobicContact CD2-SD 4.23Å; L118-M122 VanDerWaalsContact O-CB 3.24Å; L118-M122 WeakPolarHBondContact O-CB 3.31Å; L118-M122 WeakPolarHBondContact O-CG 3.5Å; L118-M122 PolarHBondContact O-N 3.29Å; L118-M122 VanDerWaalsContact O-N 3.08Å; L118-T127 HydrophobicContact CB-CG2 3.66Å; L118-I130 HydrophobicContact CD1-CD1 4.1Å; L118-I130 HydrophobicContact CD1-CG1 4.4Å; L118-L151 HydrophobicContact CD1-CB 4.11Å; L118-R154 HydrophobicContact CD2-CB 3.86Å; L118-L155 HydrophobicContact CD1-CD1 4.24Å; L118-L155 HydrophobicContact CG-CD1 4.28Å
119D96.1Very high95Very high44 Ų4452.7 Ų52.724%0.23529%0.289CS..G310 helixtrans-66.7-20.8-176.7-54.1-40.7000113K112 C116 N117 H121 T127K112-D119 VanDerWaalsContact CE-OD1 3.23Å; K112-D119 WeakPolarHBondContact CE-OD1 3.36Å; K112-D119 IonicContact NZ-OD1 3.32Å; K112-D119 PolarHBondContact NZ-OD1 2.86Å; K112-D119 IonicContact NZ-OD2 3.41Å; K112-D119 PolarHBondContact NZ-OD2 2.74Å; C116-D119 PolarHBondContact N-OD2 2.84Å; C116-D119 WeakPolarHBondContact O-CB 3.47Å; C116-D119 PolarHBondContact O-N 2.75Å; C116-D119 PolarHBondContact SG-OD2 2.95Å; C116-D119 VanDerWaalsContact SG-OD2 3.41Å; N117-D119 VanDerWaalsContact C-N 3.3Å; D119-H121 PolarHBondContact O-N 2.86Å; D119-T127 WeakPolarHBondContact OD1-CB 3.33Å; D119-T127 PolarHBondContact OD1-OG1 3.16Å
120M93.1Very high94.8Very high107 Ų10752.4 Ų52.453%0.52729%0.288SS..G310 helixtrans-68.1-22.9178.8-60.9-174.974.300112.9L118 W157L118-M120 PolarHBondContact O-N 2.94Å; M120-W157 HydrophobicContact CG-CZ2 4.46Å; M120-W157 HydrophobicContact SD-CZ2 3.88Å
121H91.7Very high94.7Very high161 Ų16153.3 Ų53.375%0.74529%0.291SS*.THydrogen-bonded Turntrans-137.85.2-170-53.1-53.3000113.4L118 D119L118-H121 PolarHBondContact O-N 3.04Å; D119-H121 PolarHBondContact O-N 2.86Å
122M95.6Very high94.6Very high34 Ų3454.6 Ų54.617%0.16731%0.307CS..SBendtrans-131.7152.3-176.3-60.5-175.552.800110L118 D126 T127 L151L118-M122 HydrophobicContact CB-SD 4.03Å; L118-M122 HydrophobicContact CD2-SD 4.23Å; L118-M122 VanDerWaalsContact O-CB 3.24Å; L118-M122 WeakPolarHBondContact O-CB 3.31Å; L118-M122 WeakPolarHBondContact O-CG 3.5Å; L118-M122 PolarHBondContact O-N 3.29Å; L118-M122 VanDerWaalsContact O-N 3.08Å; M122-D126 HydrophobicContact CB-CB 4.24Å; M122-D126 HydrophobicContact CE-CB 3.6Å; M122-T127 HydrophobicContact CB-CG2 3.81Å; M122-T127 HydrophobicContact CE-CG2 4.22Å; M122-T127 HydrophobicContact SD-CG2 4.36Å; M122-L151 HydrophobicContact CE-CD2 3.64Å; M122-L151 HydrophobicContact SD-CD2 4.23Å
123S93.6Very high94.5Very high43 Ų4358 Ų5830%0.30132%0.318SS..  trans-69152.5176.772.60000110.9S125 D126 T127S123-S125 PolarHBondContact O-N 3.25Å; S123-S125 PolarHBondContact OG-OG 3.46Å; S123-D126 WeakPolarHBondContact O-CA 3.39Å; S123-D126 WeakPolarHBondContact O-CB 3.46Å; S123-D126 PolarHBondContact O-N 3.02Å; S123-D126 VanDerWaalsContact OG-CG 3.27Å; S123-D126 PolarHBondContact OG-N 3.17Å; S123-D126 PolarHBondContact OG-OD2 3.39Å; S123-T127 PolarHBondContact O-N 3.08Å
124P90.4Very high94.4Very high98 Ų9853.5 Ų53.564%0.63629%0.29SS*.Hα-helixtrans-55.8-36.6175.4-27.635.5000113.3D126 T127 Q128P124-D126 PolarHBondContact O-N 3.38Å; P124-T127 PolarHBondContact O-N 2.99Å; P124-Q128 WeakPolarHBondContact O-CB 3.48Å; P124-Q128 PolarHBondContact O-N 2.66Å
125S91.9Very high94Very high96 Ų9653.6 Ų53.667%0.67129%0.291SS*.Hα-helixtrans-65.4-27.7176.250.60000112.8S123S123-S125 PolarHBondContact O-N 3.25Å; S123-S125 PolarHBondContact OG-OG 3.46Å
126D92.4Very high93.5Very high56 Ų5658.8 Ų58.830%0.29931%0.312SS..Hα-helixtrans-74.7-32175.7-77.6-55.6000113.3M122 S123 P124 R133 L151M122-D126 HydrophobicContact CB-CB 4.24Å; M122-D126 HydrophobicContact CE-CB 3.6Å; S123-D126 WeakPolarHBondContact O-CA 3.39Å; S123-D126 WeakPolarHBondContact O-CB 3.46Å; S123-D126 PolarHBondContact O-N 3.02Å; S123-D126 VanDerWaalsContact OG-CG 3.27Å; S123-D126 PolarHBondContact OG-N 3.17Å; S123-D126 PolarHBondContact OG-OD2 3.39Å; P124-D126 PolarHBondContact O-N 3.38Å; D126-R133 VanDerWaalsContact C-NH1 3.32Å; D126-R133 VanDerWaalsContact CB-NH1 3.28Å; D126-R133 PolarHBondContact O-NH1 3.02Å; D126-R133 IonicContact OD1-CZ 2.66Å; D126-R133 IonicContact OD1-NH1 2.84Å; D126-R133 PolarHBondContact OD1-NH1 3.42Å; D126-R133 IonicContact OD1-NH2 3.14Å; D126-R133 PolarHBondContact OD1-NH2 2.96Å; D126-L151 WeakPolarHBondContact O-CD1 3.39Å
127T93.1Very high92.9Very high0 Ų061.4 Ų61.40%033%0.333CS..Hα-helixtrans-103.65.6-176.863.70000113.4K112 L118 D119 M122 S123 P124 D129K112-T127 WeakPolarHBondContact CE-OG1 3.19Å; L118-T127 HydrophobicContact CB-CG2 3.66Å; D119-T127 WeakPolarHBondContact OD1-CB 3.33Å; D119-T127 PolarHBondContact OD1-OG1 3.16Å; M122-T127 HydrophobicContact CB-CG2 3.81Å; M122-T127 HydrophobicContact CE-CG2 4.22Å; M122-T127 HydrophobicContact SD-CG2 4.36Å; S123-T127 PolarHBondContact O-N 3.08Å; P124-T127 PolarHBondContact O-N 2.99Å; T127-D129 PolarHBondContact O-N 2.78Å
128Q91.4Very high92.2Very high112 Ų11260.9 Ų60.952%0.52333%0.33SS..THydrogen-bonded Turntrans-63-40.1-177.9-171.962.728.600113.2Q111 P124Q111-Q128 PolarHBondContact OE1-O 3.5Å; P124-Q128 WeakPolarHBondContact O-CB 3.48Å; P124-Q128 PolarHBondContact O-N 2.66Å
129D93.4Very high91.6Very high75 Ų7565.1 Ų65.140%0.40135%0.346SS..THydrogen-bonded Turntrans-132.579.3177-166.8-20000110.5T127 W131 A132 R133T127-D129 PolarHBondContact O-N 2.78Å; D129-W131 PolarHBondContact O-N 3.01Å; D129-W131 PolarHBondContact OD1-N 2.8Å; D129-A132 HydrophobicContact CB-CB 4.34Å; D129-A132 WeakPolarHBondContact OD1-CB 3.42Å; D129-A132 PolarHBondContact OD1-N 2.85Å; D129-A132 WeakPolarHBondContact OD2-CB 3.32Å; D129-R133 WeakPolarHBondContact O-CB 3.4Å; D129-R133 VanDerWaalsContact O-CG 3.31Å; D129-R133 WeakPolarHBondContact O-CG 3.49Å; D129-R133 PolarHBondContact O-N 3.1Å
130I95.4Very high90.6Very high0 Ų067 Ų670%036%0.359CS..THydrogen-bonded Turntrans-60.3-33179.6-66.1172.9000110.6P110 L118 S134 L151 L152 L155P110-I130 HydrophobicContact CB-CD1 3.98Å; P110-I130 WeakPolarHBondContact O-CD1 3.46Å; L118-I130 HydrophobicContact CD1-CD1 4.1Å; L118-I130 HydrophobicContact CD1-CG1 4.4Å; I130-S134 VanDerWaalsContact O-CB 3.27Å; I130-S134 WeakPolarHBondContact O-CB 3.36Å; I130-S134 PolarHBondContact O-N 2.84Å; I130-S134 PolarHBondContact O-OG 3.14Å; I130-L151 HydrophobicContact CG2-CB 3.97Å; I130-L152 HydrophobicContact CG2-CD1 4.43Å; I130-L155 HydrophobicContact CD1-CD1 4.48Å
131W95.3Very high89.5Confident19 Ų1966.8 Ų66.87%0.07237%0.366CS..THydrogen-bonded Turntrans-74-58.3-173.7179.6-100.7000110.4L106 K107 D129 R133 S134 V135 L152 D312 V315L106-W131 HydrophobicContact CB-CZ3 3.89Å; K107-W131 HydrophobicContact CB-CD2 3.71Å; K107-W131 HydrophobicContact CB-CE3 3.6Å; K107-W131 HydrophobicContact CB-CG 4.23Å; K107-W131 HydrophobicContact CB-CH2 4.33Å; K107-W131 HydrophobicContact CB-CZ2 4.44Å; K107-W131 HydrophobicContact CB-CZ3 3.92Å; K107-W131 HydrophobicContact CD-CD2 3.97Å; K107-W131 HydrophobicContact CD-CG 4.2Å; K107-W131 HydrophobicContact CD-CZ2 4.01Å; K107-W131 HydrophobicContact CG-CB 4.24Å; K107-W131 HydrophobicContact CG-CD2 3.59Å; K107-W131 HydrophobicContact CG-CE3 4.05Å; K107-W131 HydrophobicContact CG-CG 3.67Å; K107-W131 HydrophobicContact CG-CZ2 4.47Å; D129-W131 PolarHBondContact O-N 3.01Å; D129-W131 PolarHBondContact OD1-N 2.8Å; W131-R133 PolarHBondContact O-N 3.45Å; W131-S134 WeakPolarHBondContact O-CA 3.27Å; W131-S134 PolarHBondContact O-N 2.87Å; W131-V135 HydrophobicContact CD2-CG2 3.84Å; W131-V135 VanDerWaalsContact CE2-CG2 3.43Å; W131-V135 HydrophobicContact CG-CG2 3.94Å; W131-V135 HydrophobicContact CZ2-CG2 3.98Å; W131-V135 VanDerWaalsContact O-CG2 3.26Å; W131-V135 WeakPolarHBondContact O-CG2 3.33Å; W131-V135 PolarHBondContact O-N 3.48Å; W131-L152 HydrophobicContact CE3-CD2 4.32Å; W131-L152 HydrophobicContact CZ3-CD2 4.14Å; W131-D312 HydrophobicContact CZ2-CB 4.21Å; W131-D312 WeakPolarHBondContact CZ2-OD1 3.34Å; W131-V315 HydrophobicContact CH2-CB 3.7Å; W131-V315 HydrophobicContact CH2-CG1 3.49Å; W131-V315 VanDerWaalsContact CH2-CG1 3.49Å; W131-V315 HydrophobicContact CZ2-CB 4.02Å; W131-V315 HydrophobicContact CZ2-CG1 4.03Å; W131-V315 HydrophobicContact CZ2-CG2 4.45Å; W131-V315 HydrophobicContact CZ3-CG1 3.88Å
132A93.9Very high88.2Confident59 Ų5964.3 Ų64.349%0.48837%0.373SS..Hα-helixtrans-57.6-37.7-178.500000112D129 S134D129-A132 HydrophobicContact CB-CB 4.34Å; D129-A132 WeakPolarHBondContact OD1-CB 3.42Å; D129-A132 PolarHBondContact OD1-N 2.85Å; D129-A132 WeakPolarHBondContact OD2-CB 3.32Å; A132-S134 PolarHBondContact O-N 2.89Å
133R92.7Very high86.6Confident126 Ų12665.6 Ų65.648%0.47539%0.385SS..Hα-helixtrans-69.5-15.4175.6-66.7-170.375.7-174.614.8114.3D126 D129 W131 L151D126-R133 VanDerWaalsContact C-NH1 3.32Å; D126-R133 VanDerWaalsContact CB-NH1 3.28Å; D126-R133 PolarHBondContact O-NH1 3.02Å; D126-R133 IonicContact OD1-CZ 2.66Å; D126-R133 IonicContact OD1-NH1 2.84Å; D126-R133 PolarHBondContact OD1-NH1 3.42Å; D126-R133 IonicContact OD1-NH2 3.14Å; D126-R133 PolarHBondContact OD1-NH2 2.96Å; D129-R133 WeakPolarHBondContact O-CB 3.4Å; D129-R133 VanDerWaalsContact O-CG 3.31Å; D129-R133 WeakPolarHBondContact O-CG 3.49Å; D129-R133 PolarHBondContact O-N 3.1Å; W131-R133 PolarHBondContact O-N 3.45Å; R133-L151 HydrophobicContact CB-CD1 3.82Å; R133-L151 HydrophobicContact CB-CG 4.44Å; R133-L151 HydrophobicContact CG-CD1 4.39Å
134S93.1Very high84.8Confident0 Ų071 Ų710%042%0.417CS..Hα-helixtrans-106.8-27.9-177.5-58.70000113.9I130 W131 A132 Q136 A137 L138 L151 L152I130-S134 VanDerWaalsContact O-CB 3.27Å; I130-S134 WeakPolarHBondContact O-CB 3.36Å; I130-S134 PolarHBondContact O-N 2.84Å; I130-S134 PolarHBondContact O-OG 3.14Å; W131-S134 WeakPolarHBondContact O-CA 3.27Å; W131-S134 PolarHBondContact O-N 2.87Å; A132-S134 PolarHBondContact O-N 2.89Å; S134-Q136 PolarHBondContact O-N 3.32Å; S134-A137 PolarHBondContact O-N 2.84Å; S134-L138 WeakPolarHBondContact O-CG 3.34Å; S134-L138 PolarHBondContact O-N 3.26Å; S134-L151 PolarHBondContact OG-N 2.97Å; S134-L152 PolarHBondContact OG-N 3.25Å
135V90.6Very high83.5Confident17 Ų1774.3 Ų74.310%0.10342%0.421CS..Hα-helixtrans-56.6-46.1-172.11660000112.3W131 A137 L138 R139 V315W131-V135 HydrophobicContact CD2-CG2 3.84Å; W131-V135 VanDerWaalsContact CE2-CG2 3.43Å; W131-V135 HydrophobicContact CG-CG2 3.94Å; W131-V135 HydrophobicContact CZ2-CG2 3.98Å; W131-V135 VanDerWaalsContact O-CG2 3.26Å; W131-V135 WeakPolarHBondContact O-CG2 3.33Å; W131-V135 PolarHBondContact O-N 3.48Å; V135-A137 PolarHBondContact O-N 2.68Å; V135-L138 PolarHBondContact O-N 3.35Å; V135-R139 HydrophobicContact CG1-CG 4.13Å; V135-R139 VanDerWaalsContact CG1-CZ 3.47Å; V135-R139 VanDerWaalsContact CG1-NE 3.3Å; V135-R139 WeakPolarHBondContact O-CB 3.45Å; V135-R139 VanDerWaalsContact O-CG 3.3Å; V135-R139 WeakPolarHBondContact O-CG 3.35Å; V135-R139 PolarHBondContact O-N 3.2Å; V135-V315 HydrophobicContact CG1-CG2 4.17Å; V135-V315 HydrophobicContact CG2-CG2 4.43Å
136Q86.3Confident82.2Confident159 Ų15981.7 Ų81.774%0.74343%0.434SS*.Hα-helixtrans-62.8-44.6-178.3-172.6-179.711.200112.3S134 L138 R139 T140S134-Q136 PolarHBondContact O-N 3.32Å; Q136-L138 VanDerWaalsContact C-N 3.33Å; Q136-L138 PolarHBondContact O-N 2.82Å; Q136-R139 PolarHBondContact O-N 3.27Å; Q136-T140 PolarHBondContact O-N 2.97Å; Q136-T140 PolarHBondContact O-OG1 2.85Å
137A85.9Confident81.4Confident55 Ų5585.6 Ų85.646%0.45545%0.45SS..Hα-helixtrans-64.2-40.6178.100000111.4S134 V135S134-A137 PolarHBondContact O-N 2.84Å; V135-A137 PolarHBondContact O-N 2.68Å
138L83.7Confident81Confident13 Ų1390.5 Ų90.57%0.06848%0.482CS..Hα-helixtrans-73.9-31.2178.9-70.8170000112.6S134 V135 Q136 T140 L152 E153 V315 R318S134-L138 WeakPolarHBondContact O-CG 3.34Å; S134-L138 PolarHBondContact O-N 3.26Å; V135-L138 PolarHBondContact O-N 3.35Å; Q136-L138 VanDerWaalsContact C-N 3.33Å; Q136-L138 PolarHBondContact O-N 2.82Å; L138-T140 VanDerWaalsContact C-N 3.33Å; L138-L152 HydrophobicContact CD1-CB 4.16Å; L138-L152 HydrophobicContact CD1-CD2 3.59Å; L138-L152 HydrophobicContact CD1-CG 4.42Å; L138-E153 HydrophobicContact CD2-CG 3.97Å; L138-V315 HydrophobicContact CB-CG1 3.98Å; L138-V315 HydrophobicContact CD1-CG1 3.69Å; L138-V315 HydrophobicContact CG-CG1 4.5Å; L138-R318 WeakPolarHBondContact O-CD 3.3Å; L138-R318 PolarHBondContact O-NH1 3.09Å
139R83.1Confident81Confident93 Ų9390.8 Ų90.835%0.35148%0.482SS..Hα-helixtrans-71.6-26.4176.1-78.5-177.7-178.5174.32.5113.2V135 Q136 E311 V315 R318V135-R139 HydrophobicContact CG1-CG 4.13Å; V135-R139 VanDerWaalsContact CG1-CZ 3.47Å; V135-R139 VanDerWaalsContact CG1-NE 3.3Å; V135-R139 WeakPolarHBondContact O-CB 3.45Å; V135-R139 VanDerWaalsContact O-CG 3.3Å; V135-R139 WeakPolarHBondContact O-CG 3.35Å; V135-R139 PolarHBondContact O-N 3.2Å; Q136-R139 PolarHBondContact O-N 3.27Å; R139-E311 IonicContact CZ-OE2 2.96Å; R139-E311 IonicContact NH1-OE2 2.65Å; R139-E311 PolarHBondContact NH1-OE2 3.17Å; R139-E311 VanDerWaalsContact NH1-OE2 3.11Å; R139-E311 VanDerWaalsContact NH2-CB 3.33Å; R139-E311 PolarHBondContact NH2-O 3.23Å; R139-E311 VanDerWaalsContact NH2-O 3.17Å; R139-E311 IonicContact NH2-OE2 3.79Å; R139-E311 PolarHBondContact NH2-OE2 3.36Å; R139-V315 HydrophobicContact CG-CG2 3.85Å; R139-R318 PolarHBondContact O-NH1 2.83Å
140T77Confident81Confident84 Ų8487.7 Ų87.752%0.51547%0.466SS..SBendtrans-75.2125.5179.8-52.40000109.9Q136 L138Q136-T140 PolarHBondContact O-N 2.97Å; Q136-T140 PolarHBondContact O-OG1 2.85Å; L138-T140 VanDerWaalsContact C-N 3.33Å
141P68.4Low81Confident102 Ų10288.4 Ų88.466%0.66247%0.47SS*.  trans-56.3151173.8-21.431.7000110.8S143P141-S143 PolarHBondContact O-N 3.01Å
142A64.6Low81Confident109 Ų10987.5 Ų87.590%0.90147%0.466SS*.  trans-55106.9177.600000110
143S61.9Low81Confident61 Ų6186.6 Ų86.643%0.42745%0.452SS..  trans-72.7156.6173.490.50000109.4P141 K145P141-S143 PolarHBondContact O-N 3.01Å; S143-K145 PolarHBondContact O-N 3.35Å; S143-K145 PolarHBondContact OG-N 3.2Å; S143-K145 VanDerWaalsContact OG-N 3.17Å; S143-K145 PolarHBondContact OG-O 3.3Å
144V56.5Low81.2Confident158 Ų15886.2 Ų86.296%0.95845%0.451SS*.SBendtrans-56.5-21173.9-175.30000112
145K62.7Low81.4Confident167 Ų16786.2 Ų86.273%0.72645%0.451SS*.SBendtrans-92.9134175.5-66.9-175.8179.7-179.80111.6S143 Q147S143-K145 PolarHBondContact O-N 3.35Å; S143-K145 PolarHBondContact OG-N 3.2Å; S143-K145 VanDerWaalsContact OG-N 3.17Å; S143-K145 PolarHBondContact OG-O 3.3Å; K145-Q147 PolarHBondContact O-N 3.06Å; K145-Q147 VanDerWaalsContact O-N 3.14Å
146R65.9Low81.7Confident250 Ų25090.5 Ų90.594%0.94347%0.465SS*.  trans-66.8107176.9-169.3174-179.2167-1.3110
147Q74.7Confident82.3Confident138 Ų13884.5 Ų84.565%0.64544%0.436SS*.PPolyproline II helixtrans-81.4152173.2-66-63.6-23.500110.6K145K145-Q147 PolarHBondContact O-N 3.06Å; K145-Q147 VanDerWaalsContact O-N 3.14Å
148P84.7Confident82.9Confident104 Ų10481.9 Ų81.968%0.67541%0.414SS*.PPolyproline II helixtrans-62.8147.1170.127.9-33.5000110.3S150P148-S150 PolarHBondContact O-N 3.48Å
149K90.5Very high83.6Confident118 Ų11881.4 Ų81.451%0.51341%0.411SS..PPolyproline II helixtrans-61.6134.7176.9-69.2-177.4179.2-179.90110.3E153 R154K149-E153 WeakPolarHBondContact CA-OE2 3.37Å; K149-E153 HydrophobicContact CB-CB 3.92Å; K149-E153 HydrophobicContact CG-CB 4.43Å; K149-R154 HydrophobicContact CB-CG 3.9Å
150S93.6Very high84.4Confident10 Ų1077 Ų777%0.0740%0.395CS..PPolyproline II helixtrans-66.1171.1172.781.10000112.1P148 L152 E153 R154P148-S150 PolarHBondContact O-N 3.48Å; S150-L152 PolarHBondContact O-N 3.08Å; S150-E153 PolarHBondContact N-OE2 2.95Å; S150-E153 WeakPolarHBondContact O-CB 3.41Å; S150-E153 PolarHBondContact O-N 3.42Å; S150-E153 WeakPolarHBondContact OG-CG 3.15Å; S150-E153 PolarHBondContact OG-N 2.81Å; S150-R154 WeakPolarHBondContact O-CG 3.28Å; S150-R154 PolarHBondContact O-N 3.36Å
151L95.6Very high85.4Confident14 Ų1473 Ų737%0.07337%0.37CS..Hα-helixtrans-62.4-43.6178-60.2-174.3000111.6L118 M122 D126 I130 R133 S134 E153 R154 L155L118-L151 HydrophobicContact CD1-CB 4.11Å; M122-L151 HydrophobicContact CE-CD2 3.64Å; M122-L151 HydrophobicContact SD-CD2 4.23Å; D126-L151 WeakPolarHBondContact O-CD1 3.39Å; I130-L151 HydrophobicContact CG2-CB 3.97Å; R133-L151 HydrophobicContact CB-CD1 3.82Å; R133-L151 HydrophobicContact CB-CG 4.44Å; R133-L151 HydrophobicContact CG-CD1 4.39Å; S134-L151 PolarHBondContact OG-N 2.97Å; L151-E153 PolarHBondContact O-N 2.78Å; L151-R154 CarbonylContact O-C 3.6Å; L151-R154 WeakPolarHBondContact O-CA 3.4Å; L151-R154 PolarHBondContact O-N 3.02Å; L151-L155 PolarHBondContact O-N 3.42Å
152L95.2Very high86.9Confident0 Ų070.2 Ų70.20%035%0.347CS..Hα-helixtrans-61.9-33.4176.6-167.365.4000111.9L106 I130 W131 S134 L138 S150 R154 L155 Y319L106-L152 HydrophobicContact CB-CD1 4.29Å; L106-L152 HydrophobicContact CB-CD2 4.22Å; L106-L152 HydrophobicContact CD2-CD1 4.07Å; L106-L152 HydrophobicContact CD2-CD2 4.3Å; L106-L152 HydrophobicContact CD2-CG 4.39Å; L106-L152 VanDerWaalsContact O-CD1 3.31Å; L106-L152 WeakPolarHBondContact O-CD1 3.3Å; I130-L152 HydrophobicContact CG2-CD1 4.43Å; W131-L152 HydrophobicContact CE3-CD2 4.32Å; W131-L152 HydrophobicContact CZ3-CD2 4.14Å; S134-L152 PolarHBondContact OG-N 3.25Å; L138-L152 HydrophobicContact CD1-CB 4.16Å; L138-L152 HydrophobicContact CD1-CD2 3.59Å; L138-L152 HydrophobicContact CD1-CG 4.42Å; S150-L152 PolarHBondContact O-N 3.08Å; L152-R154 VanDerWaalsContact C-N 3.31Å; L152-L155 HydrophobicContact CD1-CD2 4.14Å; L152-L155 WeakPolarHBondContact O-CB 3.42Å; L152-L155 PolarHBondContact O-N 3.38Å; L152-Y319 HydrophobicContact CB-CE2 4.39Å; L152-Y319 HydrophobicContact CD2-CD2 3.86Å; L152-Y319 HydrophobicContact CD2-CE2 4.14Å; L152-Y319 HydrophobicContact CD2-CG 4.36Å; L152-Y319 HydrophobicContact CG-CD2 3.96Å; L152-Y319 HydrophobicContact CG-CE2 3.71Å; L152-Y319 VanDerWaalsContact O-CE2 3.3Å; L152-Y319 WeakPolarHBondContact O-CE2 3.48Å; L152-Y319 PolarHBondContact O-OH 3.29Å
153E94.7Very high88.5Confident41 Ų4165.6 Ų65.619%0.19231%0.307CS..Hα-helixtrans-73.9-20.4174.9-69.7-165.7102.300114.5L138 K149 S150 L151 R210L138-E153 HydrophobicContact CD2-CG 3.97Å; K149-E153 WeakPolarHBondContact CA-OE2 3.37Å; K149-E153 HydrophobicContact CB-CB 3.92Å; K149-E153 HydrophobicContact CG-CB 4.43Å; S150-E153 PolarHBondContact N-OE2 2.95Å; S150-E153 WeakPolarHBondContact O-CB 3.41Å; S150-E153 PolarHBondContact O-N 3.42Å; S150-E153 WeakPolarHBondContact OG-CG 3.15Å; S150-E153 PolarHBondContact OG-N 2.81Å; L151-E153 PolarHBondContact O-N 2.78Å; E153-R210 IonicContact OE1-CZ 3.36Å; E153-R210 IonicContact OE1-NH1 3.75Å; E153-R210 PolarHBondContact OE1-NH1 2.9Å; E153-R210 IonicContact OE1-NH2 3.37Å; E153-R210 PolarHBondContact OE1-NH2 2.7Å
154R96Very high90.1Very high117 Ų11764.5 Ų64.544%0.44229%0.293SS..Hα-helixtrans-92.9-9.7174.9-68.8171.261.5-168.1-4.1112.8N117 L118 K149 S150 L151 L152N117-R154 PolarHBondContact ND2-O 3.12Å; L118-R154 HydrophobicContact CD2-CB 3.86Å; K149-R154 HydrophobicContact CB-CG 3.9Å; S150-R154 WeakPolarHBondContact O-CG 3.28Å; S150-R154 PolarHBondContact O-N 3.36Å; L151-R154 CarbonylContact O-C 3.6Å; L151-R154 WeakPolarHBondContact O-CA 3.4Å; L151-R154 PolarHBondContact O-N 3.02Å; L152-R154 VanDerWaalsContact C-N 3.31Å
155L97.3Very high92Very high0 Ų060.1 Ų60.10%026%0.264CS..  trans-63.8137.3174.8-159.766.1000109.9P110 C116 L118 I130 L151 L152 V158 Y208P110-L155 HydrophobicContact CB-CD2 3.89Å; P110-L155 HydrophobicContact CG-CD2 3.76Å; C116-L155 HydrophobicContact CB-CD1 3.81Å; L118-L155 HydrophobicContact CD1-CD1 4.24Å; L118-L155 HydrophobicContact CG-CD1 4.28Å; I130-L155 HydrophobicContact CD1-CD1 4.48Å; L151-L155 PolarHBondContact O-N 3.42Å; L152-L155 HydrophobicContact CD1-CD2 4.14Å; L152-L155 WeakPolarHBondContact O-CB 3.42Å; L152-L155 PolarHBondContact O-N 3.38Å; L155-V158 HydrophobicContact CD1-CG2 4.07Å; L155-V158 HydrophobicContact CD2-CG2 4.07Å; L155-V158 HydrophobicContact CG-CG2 4.36Å; L155-Y208 HydrophobicContact CB-CD2 4.43Å; L155-Y208 HydrophobicContact CB-CG 4.37Å; L155-Y208 HydrophobicContact CD2-CD1 3.92Å; L155-Y208 HydrophobicContact CD2-CD2 3.84Å; L155-Y208 HydrophobicContact CD2-CE1 3.59Å; L155-Y208 HydrophobicContact CD2-CE2 3.52Å; L155-Y208 HydrophobicContact CD2-CG 4.05Å; L155-Y208 HydrophobicContact CG-CD1 4.45Å; L155-Y208 HydrophobicContact CG-CD2 3.74Å; L155-Y208 HydrophobicContact CG-CE1 4.5Å; L155-Y208 HydrophobicContact CG-CE2 3.8Å; L155-Y208 HydrophobicContact CG-CG 4.1Å
156R98.2Very high93.6Very high107 Ų10756.7 Ų56.740%0.40425%0.247SC..  trans-129.3-41.2-177.5-58.6-64-77.5-159.6-6.1111N117 Y208 S213N117-R156 HydrophobicContact CB-CB 4.31Å; N117-R156 PolarHBondContact OD1-N 3.03Å; R156-Y208 PolarHBondContact O-N 3.34Å; R156-S213 PolarHBondContact NH1-OG 2.98Å; R156-S213 VanDerWaalsContact NH1-OG 3.16Å
157W98.6Very high94.9Very high34 Ų3451.5 Ų51.513%0.12924%0.238CC..EExtended strand (participates in β ladder)trans-148.4154.7173.759.2-105.2000112.5V115 C116 N117 M120 T159 W166 L206V115-W157 HydrophobicContact CG1-CH2 4.01Å; V115-W157 HydrophobicContact CG1-CZ3 4Å; C116-W157 VanDerWaalsContact C-CZ3 3.41Å; C116-W157 VanDerWaalsContact CA-CZ3 3.43Å; C116-W157 VanDerWaalsContact CA-O 3.29Å; C116-W157 WeakPolarHBondContact CA-O 3.5Å; C116-W157 WeakPolarHBondContact CB-O 3.21Å; C116-W157 WeakPolarHBondContact O-CH2 3.45Å; N117-W157 VanDerWaalsContact CA-CZ2 3.43Å; N117-W157 HydrophobicContact CB-CD2 3.92Å; N117-W157 VanDerWaalsContact CB-CE2 3.44Å; N117-W157 HydrophobicContact CB-CG 4.06Å; N117-W157 HydrophobicContact CB-CZ2 3.9Å; N117-W157 VanDerWaalsContact CB-NE1 3.34Å; N117-W157 PolarHBondContact N-O 3.4Å; N117-W157 PolarHBondContact OD1-N 3.43Å; N117-W157 PolarHBondContact OD1-O 3.08Å; M120-W157 HydrophobicContact CG-CZ2 4.46Å; M120-W157 HydrophobicContact SD-CZ2 3.88Å; W157-T159 HydrophobicContact CE3-CG2 3.99Å; W157-T159 HydrophobicContact CZ3-CG2 4.08Å; W157-W166 HydrophobicContact CB-CZ2 4.14Å; W157-W166 AromaticContact CD1-CZ2 3.81Å; W157-W166 AromaticContact CD2-CE2 3.85Å; W157-W166 AromaticContact CD2-CZ2 3.64Å; W157-W166 HydrophobicContact CD2-CZ2 3.64Å; W157-W166 AromaticContact CD2-NE1 3.62Å; W157-W166 AromaticContact CE2-CE2 3.68Å; W157-W166 AromaticContact CE2-CZ2 3.93Å; W157-W166 AromaticContact CE2-NE1 3.22Å; W157-W166 HydrophobicContact CE3-CZ2 4.12Å; W157-W166 AromaticContact CE3-NE1 3.8Å; W157-W166 HydrophobicContact CG-CH2 4.39Å; W157-W166 AromaticContact CG-CZ2 3.62Å; W157-W166 HydrophobicContact CG-CZ2 3.62Å; W157-W166 AromaticContact CH2-CD1 3.96Å; W157-W166 AromaticContact CH2-NE1 3.38Å; W157-W166 AromaticContact CZ2-CD1 3.61Å; W157-W166 AromaticContact CZ2-NE1 3.12Å; W157-W166 AromaticContact CZ3-NE1 3.69Å; W157-W166 AromaticContact NE1-CE2 3.84Å; W157-W166 AromaticContact NE1-CZ2 3.96Å; W157-W166 AromaticContact NE1-NE1 3.78Å; W157-L206 CarbonylContact C-O 3.51Å; W157-L206 WeakPolarHBondContact CA-O 3.19Å
158V98.8Very high95.9Very high0 Ų048.9 Ų48.90%023%0.232CC..EExtended strand (participates in β ladder)trans-133.2141.4168170.70000107.9Y109 P110 N114 V115 C116 L155 L160 I205 L206 Y208Y109-V158 WeakPolarHBondContact O-CG1 3.33Å; P110-V158 HydrophobicContact CB-CG2 4.02Å; P110-V158 HydrophobicContact CG-CG2 4.22Å; N114-V158 HydrophobicContact CB-CG1 4.25Å; V115-V158 CarbonylContact O-C 3.51Å; V115-V158 WeakPolarHBondContact O-CA 3.45Å; C116-V158 HydrophobicContact CB-CG2 3.76Å; L155-V158 HydrophobicContact CD1-CG2 4.07Å; L155-V158 HydrophobicContact CD2-CG2 4.07Å; L155-V158 HydrophobicContact CG-CG2 4.36Å; V158-L160 HydrophobicContact CG1-CD2 3.97Å; V158-I205 WeakPolarHBondContact O-CA 3.47Å; V158-L206 HydrophobicContact CB-CB 4.13Å; V158-L206 PolarHBondContact N-O 3.46Å; V158-L206 PolarHBondContact O-N 2.83Å; V158-Y208 HydrophobicContact CB-CE2 4.16Å; V158-Y208 HydrophobicContact CG2-CE2 3.71Å
159T98.8Very high96.4Very high2 Ų250.4 Ų50.41%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-113.8141.2172.658.20000111V115 W157 H163 A204 I205V115-T159 PolarHBondContact O-N 2.76Å; W157-T159 HydrophobicContact CE3-CG2 3.99Å; W157-T159 HydrophobicContact CZ3-CG2 4.08Å; T159-H163 PolarHBondContact O-CE1 3.33Å; T159-H163 PolarHBondContact O-ND1 3.04Å; T159-H163 PolarHBondContact OG1-ND1 3.28Å; T159-A204 VanDerWaalsContact CA-O 3.31Å; T159-A204 WeakPolarHBondContact CA-O 3.47Å; T159-I205 HydrophobicContact CG2-CG1 4.34Å
160L98.8Very high96.6Very high0 Ų048.1 Ų48.10%022%0.224CC..EExtended strand (participates in β ladder)trans-126.7151.6-179-51.4174.4000109.6Y109 N114 V158 F179 P180 L183 A203 A204 L206Y109-L160 HydrophobicContact CD2-CD1 4.26Å; Y109-L160 HydrophobicContact CG-CD1 4.2Å; N114-L160 HydrophobicContact CB-CD2 3.98Å; N114-L160 VanDerWaalsContact ND2-CD2 3.29Å; N114-L160 WeakPolarHBondContact ND2-CD2 3.24Å; V158-L160 HydrophobicContact CG1-CD2 3.97Å; L160-F179 HydrophobicContact CB-CD2 4.42Å; L160-F179 HydrophobicContact CB-CE2 4.32Å; L160-P180 HydrophobicContact CD1-CG 4.02Å; L160-P180 HydrophobicContact CD2-CG 4.44Å; L160-L183 HydrophobicContact CD1-CD2 3.86Å; L160-A203 CarbonylContact O-C 3.5Å; L160-A203 VanDerWaalsContact O-CA 3.29Å; L160-A203 WeakPolarHBondContact O-CA 3.34Å; L160-A204 HydrophobicContact CB-CB 4.18Å; L160-A204 HydrophobicContact CD1-CB 4.23Å; L160-A204 HydrophobicContact CG-CB 4.5Å; L160-A204 PolarHBondContact N-O 3.46Å; L160-A204 PolarHBondContact O-N 2.95Å; L160-L206 HydrophobicContact CD1-CD1 3.55Å; L160-L206 HydrophobicContact CG-CD1 4.1Å
161G98.6Very high96.7Very high0 Ų048.4 Ų48.40%022%0.223CC..EExtended strand (participates in β ladder)trans74.5-134.4-179.200000111.3H163 F176 T177 E202G161-H163 PolarHBondContact O-N 2.81Å; G161-F176 WeakPolarHBondContact O-CA 3.17Å; G161-T177 CarbonylContact C-O 3.5Å; G161-T177 WeakPolarHBondContact CA-O 3.45Å; G161-T177 PolarHBondContact O-N 2.99Å; G161-E202 CarbonylContact C-O 3.55Å; G161-E202 VanDerWaalsContact CA-O 3.27Å; G161-E202 WeakPolarHBondContact CA-O 3.47Å
162Y98.5Very high96.6Very high45 Ų4549.9 Ų49.918%0.17624%0.235CC..BIsolated β-bridgetrans-65.1119.4165.9-62.7-63.1000109.7Y164 Y171 F176 E202 A203 V332 L333 F339Y162-Y164 PolarHBondContact O-N 3.36Å; Y162-Y171 WeakPolarHBondContact O-CD1 3.36Å; Y162-Y171 VanDerWaalsContact O-CE1 3.26Å; Y162-Y171 WeakPolarHBondContact O-CE1 3.48Å; Y162-F176 HydrophobicContact CD1-CB 4.01Å; Y162-F176 AromaticContact CD1-CD2 3.51Å; Y162-F176 HydrophobicContact CD1-CD2 3.51Å; Y162-F176 HydrophobicContact CD1-CE2 4.42Å; Y162-F176 HydrophobicContact CD1-CG 4.16Å; Y162-F176 HydrophobicContact CE1-CB 4.2Å; Y162-F176 AromaticContact CE1-CD2 3.49Å; Y162-F176 HydrophobicContact CE1-CD2 3.49Å; Y162-F176 VanDerWaalsContact CE1-CD2 3.49Å; Y162-F176 HydrophobicContact CE1-CE2 4.16Å; Y162-F176 HydrophobicContact CE1-CG 4.08Å; Y162-F176 HydrophobicContact CG-CD2 4.04Å; Y162-E202 HydrophobicContact CD2-CB 3.96Å; Y162-E202 WeakPolarHBondContact CD2-O 3.28Å; Y162-E202 HydrophobicContact CE2-CB 4.07Å; Y162-E202 HydrophobicContact CE2-CG 4.46Å; Y162-E202 PolarHBondContact N-O 3.12Å; Y162-A203 WeakPolarHBondContact O-CB 3.43Å; Y162-V332 HydrophobicContact CD2-CB 4.23Å; Y162-V332 HydrophobicContact CD2-CG2 4.18Å; Y162-L333 HydrophobicContact CE2-CD1 4.36Å; Y162-F339 AromaticContact CD1-CE2 3.78Å; Y162-F339 HydrophobicContact CD1-CE2 3.78Å; Y162-F339 HydrophobicContact CD1-CZ 4.04Å; Y162-F339 HydrophobicContact CD2-CE2 4.17Å; Y162-F339 HydrophobicContact CD2-CZ 4.12Å; Y162-F339 HydrophobicContact CE1-CD2 4.49Å; Y162-F339 AromaticContact CE1-CE2 3.57Å; Y162-F339 HydrophobicContact CE1-CE2 3.57Å; Y162-F339 HydrophobicContact CE1-CZ 4.27Å; Y162-F339 AromaticContact CE2-CE2 3.95Å; Y162-F339 HydrophobicContact CE2-CE2 3.95Å; Y162-F339 HydrophobicContact CE2-CZ 4.31Å; Y162-F339 HydrophobicContact CG-CE2 4.11Å; Y162-F339 AromaticContact CG-CZ 3.99Å; Y162-F339 HydrophobicContact CG-CZ 3.99Å; Y162-F339 AromaticContact CZ-CE2 3.66Å
163H98.2Very high96.6Very high12 Ų1252.8 Ų52.86%0.05626%0.259CS..PPolyproline II helixtrans-78.9125.5-177.5-59.4-62.7000110.6T159 G161 N165 S175 T177T159-H163 PolarHBondContact O-CE1 3.33Å; T159-H163 PolarHBondContact O-ND1 3.04Å; T159-H163 PolarHBondContact OG1-ND1 3.28Å; G161-H163 PolarHBondContact O-N 2.81Å; H163-N165 PolarHBondContact O-N 3.43Å; H163-S175 WeakPolarHBondContact CB-OG 3.43Å; H163-S175 PolarHBondContact N-O 2.98Å; H163-T177 PolarHBondContact CE1-OG1 3.46Å; H163-T177 VanDerWaalsContact CE1-OG1 3.25Å; H163-T177 VanDerWaalsContact NE2-CG2 3.35Å; H163-T177 WeakPolarHBondContact NE2-CG2 3.49Å; H163-T177 PolarHBondContact NE2-N 3.02Å; H163-T177 PolarHBondContact NE2-OG1 2.84Å
164Y97.4Very high96.6Very high37 Ų3758.5 Ų58.515%0.14528%0.283CS..PPolyproline II helixtrans-65.7127.1172.6-177.8-109.3000110.4Y162 W166 K169 Y171 I205 S222Y162-Y164 PolarHBondContact O-N 3.36Å; Y164-W166 AromaticContact CD1-CD2 3.77Å; Y164-W166 HydrophobicContact CD1-CD2 3.77Å; Y164-W166 AromaticContact CD1-CE3 3.8Å; Y164-W166 HydrophobicContact CD1-CE3 3.8Å; Y164-W166 HydrophobicContact CD1-CG 4.29Å; Y164-W166 HydrophobicContact CD1-CH2 4.29Å; Y164-W166 HydrophobicContact CD1-CZ2 4.28Å; Y164-W166 HydrophobicContact CD1-CZ3 4.05Å; Y164-W166 AromaticContact CE1-CD2 3.9Å; Y164-W166 HydrophobicContact CE1-CD2 3.9Å; Y164-W166 AromaticContact CE1-CE3 3.53Å; Y164-W166 HydrophobicContact CE1-CE3 3.53Å; Y164-W166 HydrophobicContact CE1-CG 4.43Å; Y164-W166 AromaticContact CE1-CZ3 3.89Å; Y164-W166 HydrophobicContact CE1-CZ3 3.89Å; Y164-K169 HydrophobicContact CE2-CB 4.49Å; Y164-K169 WeakPolarHBondContact OH-CA 3.03Å; Y164-K169 VanDerWaalsContact OH-CB 3.3Å; Y164-K169 WeakPolarHBondContact OH-CB 3.43Å; Y164-K169 WeakPolarHBondContact OH-CG 3.17Å; Y164-Y171 HydrophobicContact CD2-CE1 4.15Å; Y164-Y171 HydrophobicContact CD2-CE2 4.02Å; Y164-Y171 AromaticContact CD2-CZ 3.73Å; Y164-Y171 HydrophobicContact CG-CE1 4.43Å; Y164-I205 HydrophobicContact CD1-CD1 4.23Å; Y164-I205 HydrophobicContact CG-CD1 4.14Å; Y164-S222 WeakPolarHBondContact CE2-OG 3.23Å
165N96.3Very high96.5Very high66 Ų6655.2 Ų55.235%0.35328%0.278SS..BIsolated β-bridgetrans-90.9116.2173.5-175.7-41.4000109.7H163 D167 T168 K169 T170H163-N165 PolarHBondContact O-N 3.43Å; N165-D167 VanDerWaalsContact C-N 3.3Å; N165-D167 PolarHBondContact O-N 3.35Å; N165-D167 WeakPolarHBondContact OD1-CA 3.49Å; N165-D167 WeakPolarHBondContact OD1-CB 3.13Å; N165-D167 PolarHBondContact OD1-N 3.34Å; N165-T168 VanDerWaalsContact CB-OG1 3.31Å; N165-T168 WeakPolarHBondContact CB-OG1 3.46Å; N165-T168 VanDerWaalsContact CG-OG1 3.26Å; N165-T168 PolarHBondContact OD1-N 2.98Å; N165-K169 WeakPolarHBondContact O-CA 3.35Å; N165-K169 PolarHBondContact O-N 3.07Å; N165-T170 PolarHBondContact N-O 2.94Å; N165-T170 VanDerWaalsContact N-O 3.09Å
166W95Very high96.6Very high95 Ų9559.7 Ų59.736%0.3630%0.297SS..THydrogen-bonded Turntrans-68.6-25.9-177-59.498.1000113.9W157 Y164 I205W157-W166 HydrophobicContact CB-CZ2 4.14Å; W157-W166 AromaticContact CD1-CZ2 3.81Å; W157-W166 AromaticContact CD2-CE2 3.85Å; W157-W166 AromaticContact CD2-CZ2 3.64Å; W157-W166 HydrophobicContact CD2-CZ2 3.64Å; W157-W166 AromaticContact CD2-NE1 3.62Å; W157-W166 AromaticContact CE2-CE2 3.68Å; W157-W166 AromaticContact CE2-CZ2 3.93Å; W157-W166 AromaticContact CE2-NE1 3.22Å; W157-W166 HydrophobicContact CE3-CZ2 4.12Å; W157-W166 AromaticContact CE3-NE1 3.8Å; W157-W166 HydrophobicContact CG-CH2 4.39Å; W157-W166 AromaticContact CG-CZ2 3.62Å; W157-W166 HydrophobicContact CG-CZ2 3.62Å; W157-W166 AromaticContact CH2-CD1 3.96Å; W157-W166 AromaticContact CH2-NE1 3.38Å; W157-W166 AromaticContact CZ2-CD1 3.61Å; W157-W166 AromaticContact CZ2-NE1 3.12Å; W157-W166 AromaticContact CZ3-NE1 3.69Å; W157-W166 AromaticContact NE1-CE2 3.84Å; W157-W166 AromaticContact NE1-CZ2 3.96Å; W157-W166 AromaticContact NE1-NE1 3.78Å; Y164-W166 AromaticContact CD1-CD2 3.77Å; Y164-W166 HydrophobicContact CD1-CD2 3.77Å; Y164-W166 AromaticContact CD1-CE3 3.8Å; Y164-W166 HydrophobicContact CD1-CE3 3.8Å; Y164-W166 HydrophobicContact CD1-CG 4.29Å; Y164-W166 HydrophobicContact CD1-CH2 4.29Å; Y164-W166 HydrophobicContact CD1-CZ2 4.28Å; Y164-W166 HydrophobicContact CD1-CZ3 4.05Å; Y164-W166 AromaticContact CE1-CD2 3.9Å; Y164-W166 HydrophobicContact CE1-CD2 3.9Å; Y164-W166 AromaticContact CE1-CE3 3.53Å; Y164-W166 HydrophobicContact CE1-CE3 3.53Å; Y164-W166 HydrophobicContact CE1-CG 4.43Å; Y164-W166 AromaticContact CE1-CZ3 3.89Å; Y164-W166 HydrophobicContact CE1-CZ3 3.89Å; W166-I205 HydrophobicContact CH2-CD1 4.42Å; W166-I205 HydrophobicContact CH2-CG2 4.28Å; W166-I205 HydrophobicContact CZ2-CG2 4.43Å
167D93.9Very high96.5Very high141 Ų14155 Ų5575%0.75428%0.281SS*.THydrogen-bonded Turntrans-82-50.3-179.1-59.7-40.9000110.9N165N165-D167 VanDerWaalsContact C-N 3.3Å; N165-D167 PolarHBondContact O-N 3.35Å; N165-D167 WeakPolarHBondContact OD1-CA 3.49Å; N165-D167 WeakPolarHBondContact OD1-CB 3.13Å; N165-D167 PolarHBondContact OD1-N 3.34Å
168T94.5Very high96.5Very high83 Ų8358.2 Ų58.251%0.50931%0.306SS..THydrogen-bonded Turntrans-83.9-16.2-17965.50000113.2N165 T170N165-T168 VanDerWaalsContact CB-OG1 3.31Å; N165-T168 WeakPolarHBondContact CB-OG1 3.46Å; N165-T168 VanDerWaalsContact CG-OG1 3.26Å; N165-T168 PolarHBondContact OD1-N 2.98Å; T168-T170 VanDerWaalsContact C-N 3.27Å; T168-T170 WeakPolarHBondContact CB-OG1 3.48Å; T168-T170 PolarHBondContact O-N 3.39Å; T168-T170 PolarHBondContact OG1-OG1 2.88Å
169K95.2Very high96.5Very high136 Ų13659.7 Ų59.759%0.59131%0.312SS*.THydrogen-bonded Turntrans57.635.2-175.6-55.4-176.1-179.9178.30114.1Y164 N165 S222Y164-K169 HydrophobicContact CE2-CB 4.49Å; Y164-K169 WeakPolarHBondContact OH-CA 3.03Å; Y164-K169 VanDerWaalsContact OH-CB 3.3Å; Y164-K169 WeakPolarHBondContact OH-CB 3.43Å; Y164-K169 WeakPolarHBondContact OH-CG 3.17Å; N165-K169 WeakPolarHBondContact O-CA 3.35Å; N165-K169 PolarHBondContact O-N 3.07Å; K169-S222 WeakPolarHBondContact O-CB 3.4Å; K169-S222 PolarHBondContact O-OG 2.78Å
170T95.3Very high96.5Very high70 Ų7060.6 Ų60.643%0.42932%0.318SS..BIsolated β-bridgetrans-137.2166.4-176.355.70000111.9N165 T168N165-T170 PolarHBondContact N-O 2.94Å; N165-T170 VanDerWaalsContact N-O 3.09Å; T168-T170 VanDerWaalsContact C-N 3.27Å; T168-T170 WeakPolarHBondContact CB-OG1 3.48Å; T168-T170 PolarHBondContact O-N 3.39Å; T168-T170 PolarHBondContact OG1-OG1 2.88Å
171Y96.2Very high96.5Very high16 Ų1664 Ų646%0.06335%0.346CS..  trans-101.3153.1168.7-65.9-78.5000110.6Y162 Y164 A203 E223 R330 V332 F339Y162-Y171 WeakPolarHBondContact O-CD1 3.36Å; Y162-Y171 VanDerWaalsContact O-CE1 3.26Å; Y162-Y171 WeakPolarHBondContact O-CE1 3.48Å; Y164-Y171 HydrophobicContact CD2-CE1 4.15Å; Y164-Y171 HydrophobicContact CD2-CE2 4.02Å; Y164-Y171 AromaticContact CD2-CZ 3.73Å; Y164-Y171 HydrophobicContact CG-CE1 4.43Å; Y171-A203 HydrophobicContact CD1-CB 4.39Å; Y171-A203 HydrophobicContact CE1-CB 3.77Å; Y171-E223 HydrophobicContact CE2-CG 4.29Å; Y171-R330 WeakPolarHBondContact OH-CD 3.34Å; Y171-R330 VanDerWaalsContact OH-CZ 3.26Å; Y171-R330 PolarHBondContact OH-NE 3.4Å; Y171-R330 PolarHBondContact OH-NH1 3.1Å; Y171-V332 HydrophobicContact CD1-CG2 4.37Å; Y171-V332 HydrophobicContact CD2-CG1 3.82Å; Y171-V332 HydrophobicContact CD2-CG2 4.17Å; Y171-V332 HydrophobicContact CE1-CG2 4.5Å; Y171-V332 HydrophobicContact CE2-CG2 4.31Å; Y171-V332 HydrophobicContact CG-CG1 3.89Å; Y171-V332 HydrophobicContact CG-CG2 4.21Å; Y171-F339 WeakPolarHBondContact O-CE1 3.49Å
172C93.8Very high96.4Very high46 Ų4665 Ų6531%0.31135%0.352SS..  trans-144154.7172.676.60000112.2K174 S175C172-K174 VanDerWaalsContact C-N 3.26Å; C172-K174 PolarHBondContact O-N 2.86Å; C172-S175 PolarHBondContact O-N 2.81Å; C172-S175 VanDerWaalsContact SG-CB 3.59Å
173A94.4Very high96.4Very high61 Ų6162.9 Ų62.950%0.50434%0.343SS..THydrogen-bonded Turntrans-63.9-28.3-178.300000113.9F339A173-F339 HydrophobicContact CB-CB 4.25Å; A173-F339 HydrophobicContact CB-CD2 3.68Å; A173-F339 HydrophobicContact CB-CE2 4.4Å; A173-F339 HydrophobicContact CB-CG 4.19Å
174K94.2Very high96.5Very high160 Ų16064.4 Ų64.470%0.69635%0.351SS*.THydrogen-bonded Turntrans-77.9-22.9-175.8-63.3175-174.7163.10113.1C172 E342C172-K174 VanDerWaalsContact C-N 3.26Å; C172-K174 PolarHBondContact O-N 2.86Å; K174-E342 IonicContact NZ-OE1 2.68Å; K174-E342 PolarHBondContact NZ-OE1 3.09Å; K174-E342 IonicContact NZ-OE2 3.76Å; K174-E342 PolarHBondContact NZ-OE2 3.18Å
175S95.8Very high96.5Very high48 Ų4865.5 Ų65.534%0.33636%0.357SS..SBendtrans-104.686-177.7-1630000109H163 C172H163-S175 WeakPolarHBondContact CB-OG 3.43Å; H163-S175 PolarHBondContact N-O 2.98Å; C172-S175 PolarHBondContact O-N 2.81Å; C172-S175 VanDerWaalsContact SG-CB 3.59Å
176F97.4Very high96.6Very high94 Ų9462.3 Ų62.341%0.41234%0.341SS..BIsolated β-bridgetrans-147.4138-170.2173.9-96.7000112.1G161 Y162 P178G161-F176 WeakPolarHBondContact O-CA 3.17Å; Y162-F176 HydrophobicContact CD1-CB 4.01Å; Y162-F176 AromaticContact CD1-CD2 3.51Å; Y162-F176 HydrophobicContact CD1-CD2 3.51Å; Y162-F176 HydrophobicContact CD1-CE2 4.42Å; Y162-F176 HydrophobicContact CD1-CG 4.16Å; Y162-F176 HydrophobicContact CE1-CB 4.2Å; Y162-F176 AromaticContact CE1-CD2 3.49Å; Y162-F176 HydrophobicContact CE1-CD2 3.49Å; Y162-F176 VanDerWaalsContact CE1-CD2 3.49Å; Y162-F176 HydrophobicContact CE1-CE2 4.16Å; Y162-F176 HydrophobicContact CE1-CG 4.08Å; Y162-F176 HydrophobicContact CG-CD2 4.04Å; F176-P178 HydrophobicContact CE1-CG 4.45Å
177T97.8Very high96.8Very high10 Ų1057.8 Ų57.86%0.06132%0.324CS..  trans-120.2151.3158.755.20000109.9P113 N114 G161 H163 F179P113-T177 HydrophobicContact CB-CG2 3.77Å; P113-T177 HydrophobicContact CG-CG2 3.76Å; P113-T177 WeakPolarHBondContact O-CG2 3.35Å; N114-T177 PolarHBondContact OD1-OG1 3.4Å; G161-T177 CarbonylContact C-O 3.5Å; G161-T177 WeakPolarHBondContact CA-O 3.45Å; G161-T177 PolarHBondContact O-N 2.99Å; H163-T177 PolarHBondContact CE1-OG1 3.46Å; H163-T177 VanDerWaalsContact CE1-OG1 3.25Å; H163-T177 VanDerWaalsContact NE2-CG2 3.35Å; H163-T177 WeakPolarHBondContact NE2-CG2 3.49Å; H163-T177 PolarHBondContact NE2-N 3.02Å; H163-T177 PolarHBondContact NE2-OG1 2.84Å; T177-F179 PolarHBondContact O-N 2.88Å
178P98.1Very high97Very high101 Ų10153.8 Ų53.866%0.65630%0.3SS*.PPolyproline II helixtrans-51.9127.3172.8-26.935.5000111.2F176F176-P178 HydrophobicContact CE1-CG 4.45Å
179F98.6Very high97.1Very high31 Ų3151.7 Ų51.714%0.13628%0.283CS..PPolyproline II helixtrans-66.9136.6179.3-165.5-82.1000110L160 T177 A181 L183 H184 S201 A204 V329L160-F179 HydrophobicContact CB-CD2 4.42Å; L160-F179 HydrophobicContact CB-CE2 4.32Å; T177-F179 PolarHBondContact O-N 2.88Å; F179-A181 PolarHBondContact O-N 2.9Å; F179-L183 HydrophobicContact CE1-CB 3.89Å; F179-L183 HydrophobicContact CE1-CD2 4.02Å; F179-L183 HydrophobicContact CE1-CG 3.84Å; F179-L183 HydrophobicContact CZ-CB 4.43Å; F179-L183 HydrophobicContact CZ-CD2 3.72Å; F179-L183 HydrophobicContact CZ-CG 3.91Å; F179-H184 HydrophobicContact CD1-CB 3.93Å; F179-H184 HydrophobicContact CE1-CB 4.12Å; F179-S201 VanDerWaalsContact CE1-CB 3.44Å; F179-S201 WeakPolarHBondContact CG-O 3.29Å; F179-A204 HydrophobicContact CE2-CB 3.68Å; F179-A204 HydrophobicContact CZ-CB 3.95Å; F179-V329 HydrophobicContact CE2-CG1 4.35Å; F179-V329 HydrophobicContact CZ-CG1 3.81Å; F179-V329 HydrophobicContact CZ-CG2 4.43Å
180P98.4Very high97.3Very high21 Ų2145.2 Ų45.214%0.13626%0.255CS..PPolyproline II helixtrans-60.9123.7-179.4-25.736.2000112.8Y109 L160 D182 L183 H184Y109-P180 HydrophobicContact CD1-CB 4.35Å; Y109-P180 HydrophobicContact CD1-CG 3.94Å; Y109-P180 HydrophobicContact CE1-CB 3.59Å; Y109-P180 HydrophobicContact CE1-CG 3.68Å; L160-P180 HydrophobicContact CD1-CG 4.02Å; L160-P180 HydrophobicContact CD2-CG 4.44Å; P180-D182 VanDerWaalsContact C-N 3.3Å; P180-D182 WeakPolarHBondContact CB-OD1 3.18Å; P180-D182 PolarHBondContact O-N 2.9Å; P180-L183 HydrophobicContact CB-CB 4.28Å; P180-L183 PolarHBondContact O-N 3.12Å; P180-H184 PolarHBondContact O-N 2.9Å
181A97.9Very high97.4Very high71 Ų7141.9 Ų41.959%0.58723%0.234SC*.Hα-helixtrans-62.6-36.7-174.900000112.8F179 H184 M185F179-A181 PolarHBondContact O-N 2.9Å; A181-H184 PolarHBondContact O-N 2.96Å; A181-M185 WeakPolarHBondContact O-CG 3.49Å; A181-M185 PolarHBondContact O-N 3.26Å
182D98.1Very high97.5Very high22 Ų2241.7 Ų41.712%0.11824%0.236CC..Hα-helixtrans-60.4-50.2175.856.8-10.7000111.6F100 W101 Q104 Y109 P180 H184 M185 L186 V304F100-D182 HydrophobicContact CZ-CB 4.46Å; W101-D182 HydrophobicContact CH2-CB 4.09Å; W101-D182 WeakPolarHBondContact CH2-O 3.42Å; W101-D182 HydrophobicContact CZ3-CB 4.19Å; Q104-D182 PolarHBondContact NE2-OD2 2.97Å; Y109-D182 PolarHBondContact OH-OD1 2.82Å; Y109-D182 PolarHBondContact OH-OD2 3.4Å; P180-D182 VanDerWaalsContact C-N 3.3Å; P180-D182 WeakPolarHBondContact CB-OD1 3.18Å; P180-D182 PolarHBondContact O-N 2.9Å; D182-H184 VanDerWaalsContact C-N 3.33Å; D182-H184 PolarHBondContact O-N 2.92Å; D182-M185 PolarHBondContact O-N 3.02Å; D182-L186 PolarHBondContact O-N 3.3Å; D182-V304 HydrophobicContact CB-CB 4.32Å; D182-V304 HydrophobicContact CB-CG2 4.38Å
183L98.7Very high97.7Very high0 Ų039.5 Ų39.50%022%0.221CC..Hα-helixtrans-66.9-34.2177.6-176.958000112.1Y109 L160 F179 P180 L186 S187 A204 L233 M327 V329Y109-L183 HydrophobicContact CE2-CD2 4.39Å; L160-L183 HydrophobicContact CD1-CD2 3.86Å; F179-L183 HydrophobicContact CE1-CB 3.89Å; F179-L183 HydrophobicContact CE1-CD2 4.02Å; F179-L183 HydrophobicContact CE1-CG 3.84Å; F179-L183 HydrophobicContact CZ-CB 4.43Å; F179-L183 HydrophobicContact CZ-CD2 3.72Å; F179-L183 HydrophobicContact CZ-CG 3.91Å; P180-L183 HydrophobicContact CB-CB 4.28Å; P180-L183 PolarHBondContact O-N 3.12Å; L183-L186 HydrophobicContact CD1-CD2 4.24Å; L183-S187 VanDerWaalsContact O-CB 3.29Å; L183-S187 WeakPolarHBondContact O-CB 3.47Å; L183-S187 PolarHBondContact O-N 2.97Å; L183-S187 PolarHBondContact O-OG 3.45Å; L183-A204 HydrophobicContact CD2-CB 4.36Å; L183-L233 HydrophobicContact CD1-CD1 4.25Å; L183-M327 HydrophobicContact CD1-CE 4.01Å; L183-M327 HydrophobicContact CD1-SD 3.85Å; L183-M327 HydrophobicContact CD2-SD 4.21Å; L183-V329 HydrophobicContact CD1-CG2 4.15Å; L183-V329 HydrophobicContact CD2-CG2 4.13Å; L183-V329 HydrophobicContact CG-CG2 4.15Å
184H98.6Very high97.9Very high44 Ų4437.3 Ų37.320%0.20420%0.202CC..Hα-helixtrans-61.9-50.1173.9175.591.8000110.4F179 P180 A181 D182 L186 S187 E188 N200 S201F179-H184 HydrophobicContact CD1-CB 3.93Å; F179-H184 HydrophobicContact CE1-CB 4.12Å; P180-H184 PolarHBondContact O-N 2.9Å; A181-H184 PolarHBondContact O-N 2.96Å; D182-H184 VanDerWaalsContact C-N 3.33Å; D182-H184 PolarHBondContact O-N 2.92Å; H184-L186 PolarHBondContact O-N 3.45Å; H184-S187 PolarHBondContact O-N 3.08Å; H184-E188 WeakPolarHBondContact O-CB 3.47Å; H184-E188 PolarHBondContact O-N 2.97Å; H184-N200 PolarHBondContact CE1-OD1 2.81Å; H184-S201 WeakPolarHBondContact ND1-CB 3.23Å; H184-S201 PolarHBondContact ND1-N 3.11Å
185M98.1Very high98.1Very high59 Ų5932.2 Ų32.229%0.29120%0.195SC..Hα-helixtrans-58-47.4177.9-73.1177.86400111.6V67 A181 D182 S187 E188 R189 V304V67-M185 HydrophobicContact CG1-CB 3.83Å; V67-M185 HydrophobicContact CG1-CE 4.45Å; A181-M185 WeakPolarHBondContact O-CG 3.49Å; A181-M185 PolarHBondContact O-N 3.26Å; D182-M185 PolarHBondContact O-N 3.02Å; M185-S187 VanDerWaalsContact C-N 3.32Å; M185-S187 PolarHBondContact O-N 2.91Å; M185-E188 PolarHBondContact O-N 2.78Å; M185-R189 WeakPolarHBondContact O-CG 3.47Å; M185-R189 PolarHBondContact O-N 3.27Å; M185-V304 HydrophobicContact CE-CG1 3.86Å; M185-V304 HydrophobicContact SD-CG1 3.6Å; M185-V304 VanDerWaalsContact SD-CG1 3.6Å
186L98.6Very high98.1Very high0 Ų032.2 Ų32.20%019%0.189CC..Hα-helixtrans-56.1-48.117617870.4000111.5V67 L69 F93 W101 D182 L183 H184 R189 I190 L233V67-L186 HydrophobicContact CB-CB 4.37Å; V67-L186 HydrophobicContact CB-CD1 4.06Å; V67-L186 HydrophobicContact CG2-CD1 4.06Å; L69-L186 HydrophobicContact CD1-CD1 3.86Å; L69-L186 HydrophobicContact CD2-CD1 4.07Å; L69-L186 HydrophobicContact CG-CD1 3.95Å; F93-L186 HydrophobicContact CE1-CD1 3.98Å; F93-L186 HydrophobicContact CE1-CD2 4.41Å; F93-L186 HydrophobicContact CZ-CD1 4.41Å; F93-L186 HydrophobicContact CZ-CD2 4.44Å; W101-L186 HydrophobicContact CD2-CD2 3.91Å; W101-L186 HydrophobicContact CE3-CD2 4.11Å; W101-L186 HydrophobicContact CH2-CB 3.73Å; W101-L186 HydrophobicContact CH2-CD2 4Å; W101-L186 HydrophobicContact CH2-CG 4.35Å; W101-L186 HydrophobicContact CZ2-CB 3.8Å; W101-L186 HydrophobicContact CZ2-CD1 3.99Å; W101-L186 HydrophobicContact CZ2-CD2 3.78Å; W101-L186 HydrophobicContact CZ2-CG 4.06Å; W101-L186 HydrophobicContact CZ3-CB 4.44Å; W101-L186 HydrophobicContact CZ3-CD2 4.16Å; D182-L186 PolarHBondContact O-N 3.3Å; L183-L186 HydrophobicContact CD1-CD2 4.24Å; H184-L186 PolarHBondContact O-N 3.45Å; L186-R189 PolarHBondContact O-N 3.03Å; L186-I190 HydrophobicContact CD1-CD1 3.97Å; L186-I190 HydrophobicContact CG-CD1 3.99Å; L186-I190 WeakPolarHBondContact O-CG1 3.22Å; L186-I190 PolarHBondContact O-N 3.16Å; L186-I190 VanDerWaalsContact O-N 3.12Å; L186-L233 HydrophobicContact CD2-CD1 3.68Å
187S98.7Very high98Very high0 Ų032.1 Ų32.10%020%0.198CC..Hα-helixtrans-67.6-41.9-176-570000111.9L183 H184 M185 I190 T191 S201L183-S187 VanDerWaalsContact O-CB 3.29Å; L183-S187 WeakPolarHBondContact O-CB 3.47Å; L183-S187 PolarHBondContact O-N 2.97Å; L183-S187 PolarHBondContact O-OG 3.45Å; H184-S187 PolarHBondContact O-N 3.08Å; M185-S187 VanDerWaalsContact C-N 3.32Å; M185-S187 PolarHBondContact O-N 2.91Å; S187-I190 PolarHBondContact O-N 3.16Å; S187-T191 WeakPolarHBondContact O-CB 3.38Å; S187-T191 VanDerWaalsContact O-CG2 3.32Å; S187-T191 WeakPolarHBondContact O-CG2 3.35Å; S187-T191 PolarHBondContact O-N 2.64Å; S187-T191 PolarHBondContact O-OG1 3.21Å; S187-S201 VanDerWaalsContact CB-OG 3.26Å; S187-S201 WeakPolarHBondContact CB-OG 3.32Å
188E98.1Very high97.8Very high56 Ų5634.1 Ų34.126%0.26222%0.221SC..Hα-helixtrans-60.6-45.6175.8-173.7-175.5-152.600111H184 M185 T191 A192H184-E188 WeakPolarHBondContact O-CB 3.47Å; H184-E188 PolarHBondContact O-N 2.97Å; M185-E188 PolarHBondContact O-N 2.78Å; E188-T191 WeakPolarHBondContact CA-OG1 3.46Å; E188-T191 PolarHBondContact O-N 3.01Å; E188-T191 PolarHBondContact O-OG1 3Å; E188-T191 VanDerWaalsContact O-OG1 3.12Å; E188-A192 WeakPolarHBondContact O-CB 3.29Å; E188-A192 PolarHBondContact O-N 2.71Å
189R97.9Very high97.8Very high40 Ų4029.4 Ų29.415%0.15119%0.19CC..Hα-helixtrans-63.6-44.4178.9-64.8-39.9-176.5-106.617.2112.5V59 E63 V67 L69 M185 L186 A193V59-R189 HydrophobicContact CG1-CB 4.27Å; V59-R189 HydrophobicContact CG1-CG 4.02Å; V59-R189 HydrophobicContact CG2-CB 4.15Å; V59-R189 HydrophobicContact CG2-CG 4.49Å; V59-R189 WeakPolarHBondContact CG2-O 3.47Å; E63-R189 IonicContact OE1-CZ 3.5Å; E63-R189 IonicContact OE1-NE 3.15Å; E63-R189 IonicContact OE1-NH2 3.71Å; E63-R189 PolarHBondContact OE1-NH2 2.9Å; V67-R189 HydrophobicContact CG2-CB 4.47Å; V67-R189 HydrophobicContact CG2-CG 4.27Å; L69-R189 HydrophobicContact CD1-CB 4.33Å; M185-R189 WeakPolarHBondContact O-CG 3.47Å; M185-R189 PolarHBondContact O-N 3.27Å; L186-R189 PolarHBondContact O-N 3.03Å; R189-A193 PolarHBondContact O-N 3.37Å; R189-A193 VanDerWaalsContact O-N 3.13Å
190I98.6Very high97.7Very high0 Ų031.1 Ų31.10%020%0.2CC..Hα-helixtrans-64.8-46.1178.6-66.8170.5000111.2L69 W75 I89 L186 S187 A193 C194 L231 L233 V262L69-I190 HydrophobicContact CD1-CD1 4.34Å; L69-I190 HydrophobicContact CD1-CG1 3.73Å; L69-I190 HydrophobicContact CD2-CD1 4.44Å; W75-I190 HydrophobicContact CH2-CB 4.45Å; W75-I190 HydrophobicContact CH2-CG1 3.98Å; W75-I190 HydrophobicContact CZ3-CG1 4.48Å; W75-I190 HydrophobicContact CZ3-CG2 4.47Å; I89-I190 HydrophobicContact CD1-CG2 4.3Å; L186-I190 HydrophobicContact CD1-CD1 3.97Å; L186-I190 HydrophobicContact CG-CD1 3.99Å; L186-I190 WeakPolarHBondContact O-CG1 3.22Å; L186-I190 PolarHBondContact O-N 3.16Å; L186-I190 VanDerWaalsContact O-N 3.12Å; S187-I190 PolarHBondContact O-N 3.16Å; I190-A193 PolarHBondContact O-N 3.25Å; I190-C194 PolarHBondContact O-N 2.95Å; I190-C194 PolarHBondContact O-SG 3.13Å; I190-L231 HydrophobicContact CB-CD1 4.48Å; I190-L231 HydrophobicContact CB-CD2 4.44Å; I190-L231 HydrophobicContact CD1-CD2 4.5Å; I190-L231 HydrophobicContact CG2-CD1 3.68Å; I190-L231 HydrophobicContact CG2-CD2 4.49Å; I190-L233 HydrophobicContact CD1-CD2 3.83Å; I190-V262 HydrophobicContact CD1-CG1 4.47Å; I190-V262 HydrophobicContact CD1-CG2 4.46Å; I190-V262 HydrophobicContact CG2-CG1 3.95Å
191T98.4Very high97.7Very high0 Ų030.3 Ų30.30%020%0.195CC..Hα-helixtrans-69.4-38-178.150.60000112.1S187 E188 C194 G195 F196 F199 P229 L231 L264S187-T191 WeakPolarHBondContact O-CB 3.38Å; S187-T191 VanDerWaalsContact O-CG2 3.32Å; S187-T191 WeakPolarHBondContact O-CG2 3.35Å; S187-T191 PolarHBondContact O-N 2.64Å; S187-T191 PolarHBondContact O-OG1 3.21Å; E188-T191 WeakPolarHBondContact CA-OG1 3.46Å; E188-T191 PolarHBondContact O-N 3.01Å; E188-T191 PolarHBondContact O-OG1 3Å; E188-T191 VanDerWaalsContact O-OG1 3.12Å; T191-C194 CarbonylContact O-C 3.56Å; T191-C194 PolarHBondContact O-N 3.16Å; T191-C194 VanDerWaalsContact O-N 3.11Å; T191-G195 PolarHBondContact O-N 3.41Å; T191-F196 WeakPolarHBondContact O-CA 3.33Å; T191-F196 WeakPolarHBondContact O-CB 3.38Å; T191-F196 PolarHBondContact O-N 2.74Å; T191-F199 HydrophobicContact CG2-CB 4.31Å; T191-F199 HydrophobicContact CG2-CD1 3.84Å; T191-F199 HydrophobicContact CG2-CD2 4.35Å; T191-F199 HydrophobicContact CG2-CE1 4.22Å; T191-F199 HydrophobicContact CG2-CG 3.9Å; T191-F199 WeakPolarHBondContact OG1-CB 3.36Å; T191-P229 HydrophobicContact CG2-CG 3.97Å; T191-L231 HydrophobicContact CG2-CD2 4.47Å; T191-L264 HydrophobicContact CG2-CD1 4.09Å
192A98.2Very high97.8Very high12 Ų1228 Ų2810%0.09917%0.172CC..Hα-helixtrans-58-48.117200000111.8A58 V59 E188 C194 G195A58-A192 HydrophobicContact CB-CB 4.43Å; V59-A192 HydrophobicContact CG2-CB 4.09Å; E188-A192 WeakPolarHBondContact O-CB 3.29Å; E188-A192 PolarHBondContact O-N 2.71Å; A192-C194 PolarHBondContact O-N 2.85Å; A192-C194 VanDerWaalsContact O-N 3.16Å; A192-G195 PolarHBondContact O-N 3.3Å
193A98.1Very high97.8Very high0 Ų027 Ų270%017%0.167CC..Hα-helixtrans-57.9-29.5175.700000113.3D55 I72 W75 R189 I190 G195D55-A193 PolarHBondContact N-O 3.19Å; I72-A193 HydrophobicContact CD1-CB 3.48Å; I72-A193 VanDerWaalsContact CD1-CB 3.48Å; I72-A193 HydrophobicContact CG1-CB 3.95Å; I72-A193 HydrophobicContact CG2-CB 4.2Å; W75-A193 HydrophobicContact CE3-CB 4.48Å; W75-A193 HydrophobicContact CH2-CB 4.07Å; W75-A193 HydrophobicContact CZ3-CB 3.76Å; R189-A193 PolarHBondContact O-N 3.37Å; R189-A193 VanDerWaalsContact O-N 3.13Å; I190-A193 PolarHBondContact O-N 3.25Å; A193-G195 VanDerWaalsContact C-N 3.32Å
194C97.9Very high97.8Very high14 Ų1427 Ų2710%0.09517%0.167CC..THydrogen-bonded Turntrans-87.87.6177.8-61.70000114I87 I190 T191 A192 F196 L264I87-C194 HydrophobicContact CD1-CB 4.06Å; I190-C194 PolarHBondContact O-N 2.95Å; I190-C194 PolarHBondContact O-SG 3.13Å; T191-C194 CarbonylContact O-C 3.56Å; T191-C194 PolarHBondContact O-N 3.16Å; T191-C194 VanDerWaalsContact O-N 3.11Å; A192-C194 PolarHBondContact O-N 2.85Å; A192-C194 VanDerWaalsContact O-N 3.16Å; C194-F196 HydrophobicContact CB-CD2 4.28Å; C194-F196 WeakPolarHBondContact O-CD2 3.22Å; C194-L264 HydrophobicContact CB-CD1 3.66Å
195G97.3Very high97.8Very high54 Ų5425.4 Ų25.456%0.55716%0.16SC*.THydrogen-bonded Turntrans88.41817800000115T191 A192 A193 P197T191-G195 PolarHBondContact O-N 3.41Å; A192-G195 PolarHBondContact O-N 3.3Å; A193-G195 VanDerWaalsContact C-N 3.32Å; G195-P197 WeakPolarHBondContact O-CD 3.26Å
196F97Very high97.8Very high48 Ų4822.6 Ų22.621%0.21115%0.146CC..  trans-11964.4176.4-61.3-86.8000111.5T191 C194 P229 L264 S266T191-F196 WeakPolarHBondContact O-CA 3.33Å; T191-F196 WeakPolarHBondContact O-CB 3.38Å; T191-F196 PolarHBondContact O-N 2.74Å; C194-F196 HydrophobicContact CB-CD2 4.28Å; C194-F196 WeakPolarHBondContact O-CD2 3.22Å; F196-P229 HydrophobicContact CB-CG 3.98Å; F196-P229 HydrophobicContact CD1-CG 4.07Å; F196-P229 HydrophobicContact CD2-CB 4.34Å; F196-P229 HydrophobicContact CD2-CG 4.06Å; F196-P229 HydrophobicContact CE2-CB 4.47Å; F196-P229 HydrophobicContact CG-CB 4.44Å; F196-P229 HydrophobicContact CG-CG 3.77Å; F196-L264 HydrophobicContact CD2-CD1 4.43Å; F196-L264 HydrophobicContact CD2-CD2 4.44Å; F196-L264 HydrophobicContact CE2-CD2 3.97Å; F196-S266 WeakPolarHBondContact CZ-OG 3.4Å
197P95.6Very high97.9Very high92 Ų9223.8 Ų23.860%0.59715%0.152SC*.THydrogen-bonded Turntrans-63.1150.3175.729.7-35.7000111.2G195 F199G195-P197 WeakPolarHBondContact O-CD 3.26Å; P197-F199 VanDerWaalsContact C-N 3.27Å; P197-F199 PolarHBondContact O-N 3.02Å
198G94.1Very high97.9Very high52 Ų5224 Ų2454%0.53615%0.153SC..THydrogen-bonded Turntrans68.124.1-179.200000114.1N200G198-N200 PolarHBondContact O-N 3.16Å
199F97.1Very high97.9Very high2 Ų221.8 Ų21.81%0.00914%0.143CC..  trans-64125.2168.6175.8-100.9000110.2T191 P197 R228 P229 V329 Q331T191-F199 HydrophobicContact CG2-CB 4.31Å; T191-F199 HydrophobicContact CG2-CD1 3.84Å; T191-F199 HydrophobicContact CG2-CD2 4.35Å; T191-F199 HydrophobicContact CG2-CE1 4.22Å; T191-F199 HydrophobicContact CG2-CG 3.9Å; T191-F199 WeakPolarHBondContact OG1-CB 3.36Å; P197-F199 VanDerWaalsContact C-N 3.27Å; P197-F199 PolarHBondContact O-N 3.02Å; F199-R228 HydrophobicContact CE2-CB 4.47Å; F199-P229 HydrophobicContact CD2-CG 3.8Å; F199-P229 HydrophobicContact CE2-CG 3.97Å; F199-P229 VanDerWaalsContact CE2-O 3.31Å; F199-P229 WeakPolarHBondContact CE2-O 3.47Å; F199-V329 HydrophobicContact CE1-CG1 4.07Å; F199-V329 HydrophobicContact CZ-CG1 4.36Å; F199-Q331 HydrophobicContact CD2-CB 4.19Å; F199-Q331 HydrophobicContact CE2-CB 3.77Å; F199-Q331 HydrophobicContact CZ-CB 4.39Å
200N97.3Very high97.7Very high67 Ų6721.7 Ų21.736%0.35814%0.142SC..  trans-101.2117.1178.2-169.326.3000110.8H184 G198 E202 Q331H184-N200 PolarHBondContact CE1-OD1 2.81Å; G198-N200 PolarHBondContact O-N 3.16Å; N200-E202 HydrophobicContact CB-CG 4.24Å; N200-E202 VanDerWaalsContact ND2-CG 3.28Å; N200-E202 WeakPolarHBondContact ND2-CG 3.26Å; N200-E202 PolarHBondContact ND2-OE1 2.7Å; N200-E202 PolarHBondContact O-N 3.21Å; N200-E202 VanDerWaalsContact O-N 3.16Å; N200-Q331 HydrophobicContact CB-CG 4.37Å; N200-Q331 WeakPolarHBondContact O-CA 3.4Å; N200-Q331 VanDerWaalsContact O-CB 3.25Å; N200-Q331 WeakPolarHBondContact O-CB 3.44Å; N200-Q331 WeakPolarHBondContact O-CG 3.42Å
201S98.4Very high97.4Very high3 Ų324.5 Ų24.52%0.02116%0.162CC..  trans-75.4104.9175.1-56.40000110.2F179 H184 S187 V329F179-S201 VanDerWaalsContact CE1-CB 3.44Å; F179-S201 WeakPolarHBondContact CG-O 3.29Å; H184-S201 WeakPolarHBondContact ND1-CB 3.23Å; H184-S201 PolarHBondContact ND1-N 3.11Å; S187-S201 VanDerWaalsContact CB-OG 3.26Å; S187-S201 WeakPolarHBondContact CB-OG 3.32Å; S201-V329 WeakPolarHBondContact OG-CG1 3.33Å
202E98.4Very high97.1Very high24 Ų2429.1 Ų29.111%0.11219%0.187CC..  trans-113.5-26-172.6-71177.3168.600113.1G161 Y162 N200 R330 Q331 V332 L333G161-E202 CarbonylContact C-O 3.55Å; G161-E202 VanDerWaalsContact CA-O 3.27Å; G161-E202 WeakPolarHBondContact CA-O 3.47Å; Y162-E202 HydrophobicContact CD2-CB 3.96Å; Y162-E202 WeakPolarHBondContact CD2-O 3.28Å; Y162-E202 HydrophobicContact CE2-CB 4.07Å; Y162-E202 HydrophobicContact CE2-CG 4.46Å; Y162-E202 PolarHBondContact N-O 3.12Å; N200-E202 HydrophobicContact CB-CG 4.24Å; N200-E202 VanDerWaalsContact ND2-CG 3.28Å; N200-E202 WeakPolarHBondContact ND2-CG 3.26Å; N200-E202 PolarHBondContact ND2-OE1 2.7Å; N200-E202 PolarHBondContact O-N 3.21Å; N200-E202 VanDerWaalsContact O-N 3.16Å; E202-R330 PolarHBondContact N-O 2.88Å; E202-R330 VanDerWaalsContact N-O 3.1Å; E202-Q331 HydrophobicContact CG-CG 4.5Å; E202-V332 HydrophobicContact CB-CB 4.4Å; E202-V332 HydrophobicContact CB-CG2 4.22Å; E202-V332 WeakPolarHBondContact OE2-CA 3.1Å; E202-V332 PolarHBondContact OE2-N 2.88Å; E202-L333 PolarHBondContact OE2-N 3.45Å
203A98.8Very high97.1Very high0 Ų028.9 Ų28.90%018%0.184CC..EExtended strand (participates in β ladder)trans-143.5152.117200000110.9L160 Y162 Y171 R330 V332L160-A203 CarbonylContact O-C 3.5Å; L160-A203 VanDerWaalsContact O-CA 3.29Å; L160-A203 WeakPolarHBondContact O-CA 3.34Å; Y162-A203 WeakPolarHBondContact O-CB 3.43Å; Y171-A203 HydrophobicContact CD1-CB 4.39Å; Y171-A203 HydrophobicContact CE1-CB 3.77Å; A203-R330 HydrophobicContact CB-CG 3.69Å; A203-R330 PolarHBondContact N-O 2.82Å; A203-R330 VanDerWaalsContact N-O 3.1Å; A203-R330 WeakPolarHBondContact O-CG 3.35Å; A203-R330 PolarHBondContact O-N 2.84Å; A203-V332 HydrophobicContact CB-CG2 3.58Å
204A98.8Very high97Very high1 Ų130.7 Ų30.71%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-143.5149.1167.900000111.7T159 L160 F179 L183 L206 T328 V329T159-A204 VanDerWaalsContact CA-O 3.31Å; T159-A204 WeakPolarHBondContact CA-O 3.47Å; L160-A204 HydrophobicContact CB-CB 4.18Å; L160-A204 HydrophobicContact CD1-CB 4.23Å; L160-A204 HydrophobicContact CG-CB 4.5Å; L160-A204 PolarHBondContact N-O 3.46Å; L160-A204 PolarHBondContact O-N 2.95Å; F179-A204 HydrophobicContact CE2-CB 3.68Å; F179-A204 HydrophobicContact CZ-CB 3.95Å; L183-A204 HydrophobicContact CD2-CB 4.36Å; A204-L206 HydrophobicContact CB-CD1 4.28Å; A204-T328 CarbonylContact C-O 3.51Å; A204-T328 WeakPolarHBondContact CA-O 3.36Å; A204-T328 WeakPolarHBondContact CB-O 3.41Å; A204-V329 HydrophobicContact CB-CG2 4.06Å
205I98.8Very high97Very high10 Ų1032.2 Ų32.25%0.05120%0.204CC..EExtended strand (participates in β ladder)trans-119.2118.6170.4-53.1-174.7000107.7V158 T159 Y164 W166 T328V158-I205 WeakPolarHBondContact O-CA 3.47Å; T159-I205 HydrophobicContact CG2-CG1 4.34Å; Y164-I205 HydrophobicContact CD1-CD1 4.23Å; Y164-I205 HydrophobicContact CG-CD1 4.14Å; W166-I205 HydrophobicContact CH2-CD1 4.42Å; W166-I205 HydrophobicContact CH2-CG2 4.28Å; W166-I205 HydrophobicContact CZ2-CG2 4.43Å; I205-T328 PolarHBondContact N-O 3.39Å; I205-T328 PolarHBondContact O-N 3.28Å
206L98.9Very high97.1Very high0 Ų031.5 Ų31.50%020%0.196CC..EExtended strand (participates in β ladder)trans-94.5126.4171.2-81.568.3000108.4C105 Y109 W157 V158 L160 A204 Y208 N326 M327C105-L206 HydrophobicContact CB-CD2 4.06Å; Y109-L206 HydrophobicContact CD2-CD2 3.74Å; Y109-L206 HydrophobicContact CG-CD2 4.42Å; W157-L206 CarbonylContact C-O 3.51Å; W157-L206 WeakPolarHBondContact CA-O 3.19Å; V158-L206 HydrophobicContact CB-CB 4.13Å; V158-L206 PolarHBondContact N-O 3.46Å; V158-L206 PolarHBondContact O-N 2.83Å; L160-L206 HydrophobicContact CD1-CD1 3.55Å; L160-L206 HydrophobicContact CG-CD1 4.1Å; A204-L206 HydrophobicContact CB-CD1 4.28Å; L206-Y208 HydrophobicContact CB-CE2 3.92Å; L206-N326 CarbonylContact C-O 3.59Å; L206-N326 VanDerWaalsContact CA-O 3.23Å; L206-N326 WeakPolarHBondContact CA-O 3.32Å; L206-M327 HydrophobicContact CD1-CB 4.36Å; L206-M327 HydrophobicContact CD1-CG 4.34Å; L206-M327 HydrophobicContact CD2-CG 4.27Å; L206-M327 HydrophobicContact CD2-SD 4.43Å; L206-M327 HydrophobicContact CG-CB 4.31Å; L206-M327 HydrophobicContact CG-CG 3.92Å
207N98.8Very high97.1Very high25 Ų2530.4 Ų30.413%0.13419%0.192CC..EExtended strand (participates in β ladder)trans-114132.9178.2-68.9-71.3000110.9Y209 V325 N326N207-Y209 HydrophobicContact CB-CD2 4.27Å; N207-Y209 HydrophobicContact CB-CE1 4.42Å; N207-Y209 HydrophobicContact CB-CE2 3.37Å; N207-Y209 VanDerWaalsContact CB-CZ 3.45Å; N207-Y209 VanDerWaalsContact CB-OH 3.26Å; N207-Y209 WeakPolarHBondContact CB-OH 3.27Å; N207-V325 WeakPolarHBondContact O-CA 3.42Å; N207-N326 HydrophobicContact CB-CB 4.36Å; N207-N326 PolarHBondContact N-O 3.09Å; N207-N326 PolarHBondContact O-N 2.91Å
208Y98.7Very high97.2Very high3 Ų328.5 Ų28.51%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-112.2109.7-177.4-55.7-98.3000109.3C105 L106 L155 R156 V158 L206 V325C105-Y208 WeakPolarHBondContact O-CE1 3.5Å; C105-Y208 PolarHBondContact O-OH 2.83Å; L106-Y208 HydrophobicContact CD2-CD1 4.15Å; L106-Y208 HydrophobicContact CD2-CE1 3.98Å; L155-Y208 HydrophobicContact CB-CD2 4.43Å; L155-Y208 HydrophobicContact CB-CG 4.37Å; L155-Y208 HydrophobicContact CD2-CD1 3.92Å; L155-Y208 HydrophobicContact CD2-CD2 3.84Å; L155-Y208 HydrophobicContact CD2-CE1 3.59Å; L155-Y208 HydrophobicContact CD2-CE2 3.52Å; L155-Y208 HydrophobicContact CD2-CG 4.05Å; L155-Y208 HydrophobicContact CG-CD1 4.45Å; L155-Y208 HydrophobicContact CG-CD2 3.74Å; L155-Y208 HydrophobicContact CG-CE1 4.5Å; L155-Y208 HydrophobicContact CG-CE2 3.8Å; L155-Y208 HydrophobicContact CG-CG 4.1Å; R156-Y208 PolarHBondContact O-N 3.34Å; V158-Y208 HydrophobicContact CB-CE2 4.16Å; V158-Y208 HydrophobicContact CG2-CE2 3.71Å; L206-Y208 HydrophobicContact CB-CE2 3.92Å; Y208-V325 HydrophobicContact CD1-CG1 4.32Å; Y208-V325 HydrophobicContact CD1-CG2 4Å; Y208-V325 HydrophobicContact CE1-CG1 4.14Å; Y208-V325 HydrophobicContact CE1-CG2 4.34Å
209Y98.3Very high97.4Very high11 Ų1127.2 Ų27.24%0.04316%0.157CC..EExtended strand (participates in β ladder)trans-106.2122.3-175.3-56.6-86.8000110.6N207 L215 I279 S323 R324 N326N207-Y209 HydrophobicContact CB-CD2 4.27Å; N207-Y209 HydrophobicContact CB-CE1 4.42Å; N207-Y209 HydrophobicContact CB-CE2 3.37Å; N207-Y209 VanDerWaalsContact CB-CZ 3.45Å; N207-Y209 VanDerWaalsContact CB-OH 3.26Å; N207-Y209 WeakPolarHBondContact CB-OH 3.27Å; Y209-L215 HydrophobicContact CE1-CB 4.11Å; Y209-I279 HydrophobicContact CD1-CD1 4.43Å; Y209-I279 HydrophobicContact CG-CD1 4.04Å; Y209-I279 HydrophobicContact CG-CG1 4.48Å; Y209-S323 CarbonylContact O-C 3.49Å; Y209-S323 WeakPolarHBondContact O-CA 3.09Å; Y209-S323 WeakPolarHBondContact O-CB 3.19Å; Y209-R324 HydrophobicContact CD2-CB 4.49Å; Y209-R324 HydrophobicContact CD2-CG 4.39Å; Y209-R324 VanDerWaalsContact CE2-NH1 3.25Å; Y209-R324 PolarHBondContact N-O 3.35Å; Y209-R324 PolarHBondContact O-N 3.49Å; Y209-N326 HydrophobicContact CE2-CB 3.82Å
210R95.2Very high97.4Very high37 Ų3728.4 Ų28.414%0.1416%0.163CC..EExtended strand (participates in β ladder)trans-83.3171.5164.6-61.5-58.5-68.2-108.56.6109.3E153 D212 S213E153-R210 IonicContact OE1-CZ 3.36Å; E153-R210 IonicContact OE1-NH1 3.75Å; E153-R210 PolarHBondContact OE1-NH1 2.9Å; E153-R210 IonicContact OE1-NH2 3.37Å; E153-R210 PolarHBondContact OE1-NH2 2.7Å; R210-D212 WeakPolarHBondContact CB-OD1 3.34Å; R210-D212 PolarHBondContact O-N 2.74Å; R210-D212 VanDerWaalsContact O-N 3.08Å; R210-S213 PolarHBondContact N-OG 2.95Å; R210-S213 WeakPolarHBondContact O-CB 3.29Å; R210-S213 PolarHBondContact O-N 2.81Å
211S91.8Very high97.3Very high60 Ų6031.3 Ų31.342%0.4218%0.175SC..THydrogen-bonded Turntrans-53.4-32.2-179.365.10000113.3R27 S322R27-S211 PolarHBondContact NH2-O 3.17Å; S211-S322 PolarHBondContact N-O 3.05Å
212D92.8Very high97.2Very high97 Ų9732.3 Ų32.352%0.51918%0.182SC..THydrogen-bonded Turntrans-90.7-6.6179.366.2-25000115.1R210R210-D212 WeakPolarHBondContact CB-OD1 3.34Å; R210-D212 PolarHBondContact O-N 2.74Å; R210-D212 VanDerWaalsContact O-N 3.08Å
213S96.6Very high97.1Very high6 Ų631.4 Ų31.44%0.04218%0.178CC..  trans-69.4151.3178.8-66.50000112.2R156 R210R156-S213 PolarHBondContact NH1-OG 2.98Å; R156-S213 VanDerWaalsContact NH1-OG 3.16Å; R210-S213 PolarHBondContact N-OG 2.95Å; R210-S213 WeakPolarHBondContact O-CB 3.29Å; R210-S213 PolarHBondContact O-N 2.81Å
214S97.3Very high96.8Very high38 Ų3835.3 Ų35.327%0.26620%0.198SC..  trans-145.7147.7168.962.30000109.4K25 V276K25-S214 PolarHBondContact NZ-OG 3.25Å; S214-V276 CarbonylContact C-O 3.56Å; S214-V276 VanDerWaalsContact CA-O 3.27Å; S214-V276 WeakPolarHBondContact CA-O 3.42Å; S214-V276 WeakPolarHBondContact CB-O 3.46Å
215L98.1Very high96.6Very high47 Ų4736.4 Ų36.425%0.24620%0.204CC..EExtended strand (participates in β ladder)trans-104.3124.5169.5-173.960.4000109.3F21 Y209 H218 V276F21-L215 VanDerWaalsContact CE2-O 3.28Å; F21-L215 WeakPolarHBondContact CE2-O 3.3Å; Y209-L215 HydrophobicContact CE1-CB 4.11Å; L215-H218 WeakPolarHBondContact CD2-CE1 3.34Å; L215-V276 HydrophobicContact CB-CB 3.89Å; L215-V276 HydrophobicContact CB-CG2 4.2Å; L215-V276 HydrophobicContact CD2-CG2 4.45Å; L215-V276 PolarHBondContact N-O 2.94Å; L215-V276 PolarHBondContact O-N 2.9Å
216G97.5Very high96.4Very high38 Ų3839 Ų3939%0.39222%0.216SC..EExtended strand (participates in β ladder)trans-65.6171.9-178.200000113.8H218G216-H218 PolarHBondContact O-N 2.77Å; G216-H218 PolarHBondContact O-ND1 2.81Å
217I98Very high96.3Very high26 Ų2642.7 Ų42.713%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-72.3117.7178.8-56165.3000109.3F17 R18 F21 R248 Y273 H274 A275F17-I217 HydrophobicContact CB-CD1 4.11Å; F17-I217 HydrophobicContact CD1-CD1 3.41Å; F17-I217 VanDerWaalsContact CD1-CD1 3.41Å; F17-I217 HydrophobicContact CD1-CG1 3.57Å; F17-I217 HydrophobicContact CD1-CG2 4.16Å; F17-I217 HydrophobicContact CD2-CG2 4.09Å; F17-I217 HydrophobicContact CE1-CD1 4.1Å; F17-I217 HydrophobicContact CE1-CG1 3.71Å; F17-I217 HydrophobicContact CE1-CG2 4.24Å; F17-I217 HydrophobicContact CE2-CG2 4.12Å; F17-I217 HydrophobicContact CG-CD1 3.9Å; F17-I217 HydrophobicContact CG-CG1 4.26Å; F17-I217 HydrophobicContact CG-CG2 4.13Å; F17-I217 HydrophobicContact CZ-CG1 4.46Å; F17-I217 HydrophobicContact CZ-CG2 4.23Å; R18-I217 HydrophobicContact CB-CD1 4.21Å; F21-I217 HydrophobicContact CB-CD1 4.15Å; F21-I217 HydrophobicContact CB-CG1 4.46Å; F21-I217 HydrophobicContact CD2-CG1 4.28Å; F21-I217 HydrophobicContact CG-CG1 4.46Å; I217-R248 PolarHBondContact O-NH1 2.83Å; I217-Y273 HydrophobicContact CG2-CD1 3.76Å; I217-Y273 HydrophobicContact CG2-CG 4.29Å; I217-H274 WeakPolarHBondContact CA-O 2.96Å; I217-A275 HydrophobicContact CG1-CB 4.01Å
218H97.8Very high96.2Very high51 Ų5144.3 Ų44.324%0.23625%0.246CC..EExtended strand (participates in β ladder)trans-150.3172.4-17766.4-62.3000111.8L215 G216 D220 Y273 H274L215-H218 WeakPolarHBondContact CD2-CE1 3.34Å; G216-H218 PolarHBondContact O-N 2.77Å; G216-H218 PolarHBondContact O-ND1 2.81Å; H218-D220 IonicContact CD2-OD1 3.52Å; H218-D220 IonicContact NE2-OD1 3.65Å; H218-Y273 CarbonylContact O-C 3.59Å; H218-Y273 WeakPolarHBondContact O-CA 3.28Å; H218-H274 AromaticContact CD2-NE2 3.98Å; H218-H274 AromaticContact CE1-CD2 3.57Å; H218-H274 AromaticContact CE1-NE2 3.34Å; H218-H274 PolarHBondContact CE1-NE2 3.47Å; H218-H274 VanDerWaalsContact CE1-NE2 3.34Å; H218-H274 PolarHBondContact N-O 3.05Å; H218-H274 PolarHBondContact ND1-O 3.21Å; H218-H274 AromaticContact NE2-CD2 3.93Å; H218-H274 AromaticContact NE2-CE1 3.82Å; H218-H274 AromaticContact NE2-NE2 3.21Å; H218-H274 PolarHBondContact NE2-NE2 3.35Å; H218-H274 PolarHBondContact O-N 2.83Å; H218-H274 PolarHBondContact O-ND1 3.34Å
219V97.8Very high96.2Very high26 Ų2644.2 Ų44.216%0.15825%0.245CC..  trans-125.1142.2169.2-179.50000106.9E221 L271 Y273V219-E221 HydrophobicContact CG1-CB 4.36Å; V219-L271 HydrophobicContact CG1-CB 4.15Å; V219-L271 HydrophobicContact CG1-CD2 4.09Å; V219-Y273 HydrophobicContact CG2-CD1 3.53Å; V219-Y273 HydrophobicContact CG2-CD2 4.03Å; V219-Y273 HydrophobicContact CG2-CE1 3.62Å; V219-Y273 HydrophobicContact CG2-CE2 4.12Å; V219-Y273 HydrophobicContact CG2-CG 3.74Å
220D97.1Very high96.2Very high26 Ų2643.9 Ų43.914%0.13924%0.244CC..  trans-91.499.3172.7-78.1-37.6000109.2H218 L230 R270 H274H218-D220 IonicContact CD2-OD1 3.52Å; H218-D220 IonicContact NE2-OD1 3.65Å; D220-L230 HydrophobicContact CB-CD1 3.64Å; D220-L230 WeakPolarHBondContact OD2-CD1 3.48Å; D220-R270 PolarHBondContact O-NH1 3.08Å; D220-H274 IonicContact OD2-CE1 2.85Å; D220-H274 IonicContact OD2-NE2 2.97Å
221E95.8Very high96.4Very high128 Ų12842.1 Ų42.160%0.59824%0.238SC*.  trans-125.65.4-172.665.4-173.1168.200114.2V219 E223 H226 L271V219-E221 HydrophobicContact CG1-CB 4.36Å; E221-E223 PolarHBondContact O-N 2.95Å; E221-H226 PolarHBondContact O-CE1 2.82Å; E221-H226 PolarHBondContact O-NE2 2.88Å; E221-L271 HydrophobicContact CB-CD2 4.11Å
222S96.1Very high96.7Very high25 Ų2539.4 Ų39.418%0.17522%0.219CC..  trans-81.5-12.2-169.3-620000114.9Y164 K169Y164-S222 WeakPolarHBondContact CE2-OG 3.23Å; K169-S222 WeakPolarHBondContact O-CB 3.4Å; K169-S222 PolarHBondContact O-OG 2.78Å
223E96.2Very high97Very high5 Ų534.8 Ų34.82%0.02319%0.194CC..SBendtrans-71.6153.7173.1-56.679.6-177.300111Y171 E221 H226 R270 R330Y171-E223 HydrophobicContact CE2-CG 4.29Å; E221-E223 PolarHBondContact O-N 2.95Å; E223-H226 PolarHBondContact O-CD2 2.83Å; E223-H226 PolarHBondContact O-NE2 2.93Å; E223-R270 IonicContact OE1-NH2 3.37Å; E223-R270 PolarHBondContact OE1-NH2 2.99Å; E223-R270 IonicContact OE2-CZ 3.57Å; E223-R270 IonicContact OE2-NH1 3.55Å; E223-R270 IonicContact OE2-NH2 2.85Å; E223-R270 PolarHBondContact OE2-NH2 2.96Å; E223-R330 HydrophobicContact CG-CB 4.18Å; E223-R330 HydrophobicContact CG-CG 4.22Å; E223-R330 WeakPolarHBondContact OE1-CD 3.18Å; E223-R330 IonicContact OE1-CZ 3.82Å; E223-R330 VanDerWaalsContact OE1-CZ 3.26Å; E223-R330 IonicContact OE1-NE 3.79Å; E223-R330 PolarHBondContact OE1-NE 2.96Å; E223-R330 IonicContact OE1-NH1 4Å; E223-R330 PolarHBondContact OE1-NH1 2.88Å
224L93.6Very high97.1Very high82 Ų8234.5 Ų34.543%0.42919%0.192SC..SBendtrans-82.1-26.7177.9-58.4-173.5000112.5V332 L333 F339L224-V332 WeakPolarHBondContact CB-O 3.44Å; L224-V332 PolarHBondContact N-O 2.91Å; L224-L333 HydrophobicContact CD1-CD2 3.7Å; L224-L333 HydrophobicContact CG-CD2 4.44Å; L224-F339 HydrophobicContact CD1-CD1 4.35Å
225D93.8Very high97.1Very high24 Ų2432.7 Ų32.713%0.12818%0.179CC..  trans-115.6107.4176.9-177.79.7000111.5S227 R228 V332 G334D225-S227 VanDerWaalsContact CG-OG 3.24Å; D225-S227 WeakPolarHBondContact OD1-CB 3.24Å; D225-S227 PolarHBondContact OD1-N 3.03Å; D225-S227 PolarHBondContact OD1-OG 2.94Å; D225-S227 PolarHBondContact OD2-OG 2.89Å; D225-S227 VanDerWaalsContact OD2-OG 3.14Å; D225-R228 WeakPolarHBondContact OD2-CG 3.33Å; D225-V332 PolarHBondContact N-O 2.88Å; D225-G334 VanDerWaalsContact OD2-CA 3.27Å; D225-G334 WeakPolarHBondContact OD2-CA 3.38Å
226H95.6Very high97Very high64 Ų6430.5 Ų30.530%0.29617%0.168SC..THydrogen-bonded Turntrans-89.20.4176.7-56.7160.9000113.3E221 E223 R228E221-H226 PolarHBondContact O-CE1 2.82Å; E221-H226 PolarHBondContact O-NE2 2.88Å; E223-H226 PolarHBondContact O-CD2 2.83Å; E223-H226 PolarHBondContact O-NE2 2.93Å; H226-R228 PolarHBondContact O-N 3.09Å
227S95.6Very high96.9Very high77 Ų7728.8 Ų28.854%0.53815%0.15SC..THydrogen-bonded Turntrans-73-21.5174.775.20000112.4D225D225-S227 VanDerWaalsContact CG-OG 3.24Å; D225-S227 WeakPolarHBondContact OD1-CB 3.24Å; D225-S227 PolarHBondContact OD1-N 3.03Å; D225-S227 PolarHBondContact OD1-OG 2.94Å; D225-S227 PolarHBondContact OD2-OG 2.89Å; D225-S227 VanDerWaalsContact OD2-OG 3.14Å
228R96.9Very high96.8Very high59 Ų5928.3 Ų28.322%0.22315%0.149CC..SBendtrans-85.6145.5179.4-61.7-67.2-179.5169.43.9111.7F199 D225 H226 R270 Q331F199-R228 HydrophobicContact CE2-CB 4.47Å; D225-R228 WeakPolarHBondContact OD2-CG 3.33Å; H226-R228 PolarHBondContact O-N 3.09Å; R228-R270 PolarHBondContact O-NE 3.03Å; R228-Q331 HydrophobicContact CB-CB 3.94Å; R228-Q331 HydrophobicContact CG-CB 4.08Å; R228-Q331 HydrophobicContact CG-CG 4.2Å
229P98Very high96.8Very high1 Ų125.9 Ų25.91%0.00614%0.137CC..PPolyproline II helixtrans-68.1154.5-178.429.8-36.3000111.8T191 F196 F199 L264 M265T191-P229 HydrophobicContact CG2-CG 3.97Å; F196-P229 HydrophobicContact CB-CG 3.98Å; F196-P229 HydrophobicContact CD1-CG 4.07Å; F196-P229 HydrophobicContact CD2-CB 4.34Å; F196-P229 HydrophobicContact CD2-CG 4.06Å; F196-P229 HydrophobicContact CE2-CB 4.47Å; F196-P229 HydrophobicContact CG-CB 4.44Å; F196-P229 HydrophobicContact CG-CG 3.77Å; F199-P229 HydrophobicContact CD2-CG 3.8Å; F199-P229 HydrophobicContact CE2-CG 3.97Å; F199-P229 VanDerWaalsContact CE2-O 3.31Å; F199-P229 WeakPolarHBondContact CE2-O 3.47Å; P229-L264 HydrophobicContact CB-CD1 3.95Å; P229-L264 HydrophobicContact CB-CD2 3.74Å; P229-L264 HydrophobicContact CB-CG 3.74Å; P229-L264 HydrophobicContact CG-CD1 4.41Å; P229-M265 CarbonylContact C-O 3.52Å; P229-M265 WeakPolarHBondContact CA-O 3.36Å
230L98.4Very high96.8Very high4 Ų424.7 Ų24.72%0.02113%0.13CC..EExtended strand (participates in β ladder)trans-100.8122.8162.2-179.8150.1000108.5D220 L264 M265 T328D220-L230 HydrophobicContact CB-CD1 3.64Å; D220-L230 WeakPolarHBondContact OD2-CD1 3.48Å; L230-L264 WeakPolarHBondContact O-CA 3.31Å; L230-M265 HydrophobicContact CB-CB 4.48Å; L230-M265 PolarHBondContact N-O 2.95Å; L230-M265 PolarHBondContact O-N 3.26Å; L230-T328 HydrophobicContact CD1-CG2 3.88Å; L230-T328 HydrophobicContact CD2-CG2 3.55Å; L230-T328 HydrophobicContact CG-CG2 3.65Å
231L98.9Very high96.9Very high0 Ų023.8 Ų23.80%013%0.125CC..EExtended strand (participates in β ladder)trans-102.4129.9-179.4175.965.6000109.7I190 T191 L233 V262 T328 V329I190-L231 HydrophobicContact CB-CD1 4.48Å; I190-L231 HydrophobicContact CB-CD2 4.44Å; I190-L231 HydrophobicContact CD1-CD2 4.5Å; I190-L231 HydrophobicContact CG2-CD1 3.68Å; I190-L231 HydrophobicContact CG2-CD2 4.49Å; T191-L231 HydrophobicContact CG2-CD2 4.47Å; L231-L233 HydrophobicContact CD1-CD2 4.45Å; L231-L233 HydrophobicContact CG-CG 4.46Å; L231-V262 HydrophobicContact CD1-CG1 3.42Å; L231-V262 VanDerWaalsContact CD1-CG1 3.42Å; L231-T328 CarbonylContact O-C 3.6Å; L231-T328 VanDerWaalsContact O-CA 3.22Å; L231-T328 WeakPolarHBondContact O-CA 3.36Å; L231-V329 HydrophobicContact CB-CB 4.39Å; L231-V329 PolarHBondContact N-O 3.45Å; L231-V329 PolarHBondContact O-N 3.41Å
232S98.8Very high97Very high3 Ų317.7 Ų17.72%0.02110%0.097CC..EExtended strand (participates in β ladder)trans-128.8123.3179.3-175.70000110.8V262 M263 N326 M327S232-V262 CarbonylContact O-C 3.55Å; S232-V262 WeakPolarHBondContact O-CA 3.1Å; S232-M263 PolarHBondContact N-O 3.29Å; S232-M263 PolarHBondContact O-N 2.97Å; S232-N326 PolarHBondContact OG-ND2 2.97Å; S232-M327 CarbonylContact C-O 3.56Å; S232-M327 WeakPolarHBondContact CA-O 3.43Å
233L98.8Very high97.1Very high0 Ų016.5 Ų16.50%09%0.088CC..EExtended strand (participates in β ladder)trans-114135.4-177.8-57.4165.6000109.3F93 L183 L186 I190 L231 F235 V262 N326 M327F93-L233 HydrophobicContact CZ-CD2 4.47Å; L183-L233 HydrophobicContact CD1-CD1 4.25Å; L186-L233 HydrophobicContact CD2-CD1 3.68Å; I190-L233 HydrophobicContact CD1-CD2 3.83Å; L231-L233 HydrophobicContact CD1-CD2 4.45Å; L231-L233 HydrophobicContact CG-CG 4.46Å; L233-F235 HydrophobicContact CB-CE2 3.91Å; L233-F235 HydrophobicContact CB-CZ 4.38Å; L233-V262 HydrophobicContact CD2-CB 4.16Å; L233-V262 HydrophobicContact CD2-CG1 3.79Å; L233-V262 HydrophobicContact CD2-CG2 3.55Å; L233-N326 CarbonylContact O-C 3.57Å; L233-N326 WeakPolarHBondContact O-CA 3.47Å; L233-N326 PolarHBondContact O-ND2 3.35Å; L233-M327 HydrophobicContact CB-CB 4.27Å; L233-M327 HydrophobicContact CB-CE 4.38Å; L233-M327 HydrophobicContact CD1-CB 4.38Å; L233-M327 HydrophobicContact CD1-CE 3.72Å; L233-M327 PolarHBondContact N-O 3.49Å; L233-M327 PolarHBondContact O-N 2.8Å
234S98.5Very high97.1Very high0 Ų016.3 Ų16.30%09%0.087CC..EExtended strand (participates in β ladder)trans-121.2132.2-175.7-175.90000112.1H258 G260 D261 R324S234-H258 WeakPolarHBondContact CB-O 3.15Å; S234-H258 PolarHBondContact OG-O 3.03Å; S234-G260 PolarHBondContact O-N 3.41Å; S234-D261 PolarHBondContact N-O 2.82Å; S234-R324 PolarHBondContact OG-NE 2.89Å
235F97.6Very high97.3Very high1 Ų112.9 Ų12.90%0.0047%0.072CC..EExtended strand (participates in β ladder)trans-135.1148.9176.6-55.9-81.3000111.8F93 Q98 W101 V102 L233 R324 V325 M327F93-F235 HydrophobicContact CE1-CZ 4.45Å; F93-F235 HydrophobicContact CE2-CE1 4.02Å; F93-F235 HydrophobicContact CE2-CZ 4.09Å; F93-F235 HydrophobicContact CZ-CE1 4.05Å; F93-F235 AromaticContact CZ-CZ 3.79Å; F93-F235 HydrophobicContact CZ-CZ 3.79Å; Q98-F235 HydrophobicContact CB-CD1 4.05Å; Q98-F235 HydrophobicContact CB-CE1 4.08Å; Q98-F235 HydrophobicContact CG-CD1 4.18Å; Q98-F235 HydrophobicContact CG-CE1 3.99Å; W101-F235 HydrophobicContact CB-CE1 4.19Å; W101-F235 HydrophobicContact CB-CE2 4.26Å; W101-F235 HydrophobicContact CB-CZ 3.84Å; W101-F235 HydrophobicContact CG-CZ 4.35Å; V102-F235 HydrophobicContact CG2-CB 3.75Å; V102-F235 HydrophobicContact CG2-CD1 4.24Å; V102-F235 HydrophobicContact CG2-CG 4.06Å; L233-F235 HydrophobicContact CB-CE2 3.91Å; L233-F235 HydrophobicContact CB-CZ 4.38Å; F235-R324 CarbonylContact O-C 3.53Å; F235-R324 WeakPolarHBondContact O-CA 3.46Å; F235-V325 PolarHBondContact N-O 2.94Å; F235-V325 PolarHBondContact O-N 3.5Å; F235-M327 HydrophobicContact CD2-CE 4.37Å; F235-M327 HydrophobicContact CE2-CE 3.44Å; F235-M327 VanDerWaalsContact CE2-CE 3.44Å; F235-M327 HydrophobicContact CZ-CE 4.09Å
236G95.5Very high97.4Very high0 Ų015.6 Ų15.60%09%0.091CC..EExtended strand (participates in β ladder)trans83.9-147-178.300000112.4S259 R286G236-S259 PolarHBondContact N-OG 3.32Å; G236-R286 PolarHBondContact O-NH2 3.44Å
237Q95.7Very high97.4Very high3 Ų317 Ų171%0.01410%0.097CC..SBendtrans-53.4143.7-172.8-70-49.5-50.400113.3I279 L280 R286 I320 Q321 S323 R324Q237-I279 HydrophobicContact CB-CG2 3.62Å; Q237-I279 HydrophobicContact CG-CG2 4.47Å; Q237-L280 PolarHBondContact OE1-O 3.36Å; Q237-R286 VanDerWaalsContact NE2-NE 3.15Å; Q237-I320 PolarHBondContact NE2-O 2.61Å; Q237-I320 VanDerWaalsContact NE2-O 3.12Å; Q237-Q321 VanDerWaalsContact NE2-C 3.33Å; Q237-Q321 PolarHBondContact NE2-O 2.95Å; Q237-S323 WeakPolarHBondContact CB-O 3.27Å; Q237-S323 WeakPolarHBondContact CG-O 3.33Å; Q237-S323 PolarHBondContact N-O 2.85Å; Q237-R324 HydrophobicContact CB-CB 4.44Å; Q237-R324 WeakPolarHBondContact O-CB 3.26Å; Q237-R324 WeakPolarHBondContact O-CD 3.36Å; Q237-R324 WeakPolarHBondContact O-CG 3.37Å
238S96.1Very high97.3Very high16 Ų1617.3 Ų17.311%0.1129%0.086CC..  trans-66.9149.4176.4-65.30000110.5M257 H258 L280S238-M257 CarbonylContact C-O 3.44Å; S238-M257 WeakPolarHBondContact CA-O 3.29Å; S238-H258 PolarHBondContact OG-ND1 2.89Å; S238-L280 WeakPolarHBondContact O-CB 3.28Å; S238-L280 PolarHBondContact O-N 2.86Å
239S97.9Very high97.1Very high0 Ų022.7 Ų22.70%011%0.107CC..EExtended strand (participates in β ladder)trans-128.4159.7173.663.20000111.9F256 M257 R278 R324S239-F256 CarbonylContact O-C 3.51Å; S239-F256 WeakPolarHBondContact O-CA 3.4Å; S239-M257 PolarHBondContact N-O 3.29Å; S239-M257 PolarHBondContact O-N 3.23Å; S239-R278 CarbonylContact C-O 3.53Å; S239-R278 VanDerWaalsContact CA-O 3.24Å; S239-R278 WeakPolarHBondContact CA-O 3.14Å; S239-R278 WeakPolarHBondContact CB-O 3.41Å; S239-R324 PolarHBondContact OG-NE 3.48Å
240I98.2Very high96.8Very high0 Ų024.6 Ų24.60%012%0.117CC..EExtended strand (participates in β ladder)trans-88.9125.9162.8-58.3177.4000107.3Y24 L33 L242 A254 M255 P277 R278 L280Y24-I240 HydrophobicContact CD1-CD1 3.6Å; Y24-I240 HydrophobicContact CD1-CG2 4.27Å; Y24-I240 HydrophobicContact CD2-CG2 4.41Å; Y24-I240 HydrophobicContact CE1-CD1 4.35Å; Y24-I240 HydrophobicContact CG-CD1 4.14Å; Y24-I240 HydrophobicContact CG-CG2 4.08Å; L33-I240 HydrophobicContact CD1-CD1 4.38Å; L33-I240 HydrophobicContact CD2-CD1 3.57Å; I240-L242 HydrophobicContact CG2-CD2 4.25Å; I240-A254 HydrophobicContact CG2-CB 4.36Å; I240-M255 WeakPolarHBondContact CA-O 3.19Å; I240-P277 HydrophobicContact CB-CG 4.22Å; I240-P277 HydrophobicContact CG2-CG 4.03Å; I240-P277 VanDerWaalsContact O-CD 3.28Å; I240-P277 WeakPolarHBondContact O-CD 3.42Å; I240-R278 HydrophobicContact CD1-CB 4.32Å; I240-R278 PolarHBondContact N-O 3.45Å; I240-L280 HydrophobicContact CD1-CD2 4.29Å; I240-L280 HydrophobicContact CG1-CD1 4.29Å; I240-L280 HydrophobicContact CG1-CD2 4.32Å; I240-L280 HydrophobicContact CG1-CG 4.47Å
241F98.6Very high96.5Very high8 Ų828.7 Ų28.74%0.03514%0.144CC..EExtended strand (participates in β ladder)trans-108.1139170.9-176.2-93.4000109.5L243 A254 M255 M257 M263 H274 V276F241-L243 HydrophobicContact CD1-CB 4.39Å; F241-L243 HydrophobicContact CE1-CB 3.93Å; F241-L243 HydrophobicContact CE1-CD1 4.21Å; F241-A254 WeakPolarHBondContact O-CA 3.35Å; F241-M255 HydrophobicContact CB-CG 3.97Å; F241-M255 HydrophobicContact CD1-CE 4.22Å; F241-M255 HydrophobicContact CD1-CG 4.13Å; F241-M255 HydrophobicContact CD1-SD 3.96Å; F241-M255 PolarHBondContact N-O 2.93Å; F241-M255 PolarHBondContact O-N 3.08Å; F241-M257 HydrophobicContact CB-CG 3.76Å; F241-M257 HydrophobicContact CG-CG 4.46Å; F241-M263 HydrophobicContact CD1-SD 4.09Å; F241-M263 HydrophobicContact CD2-CE 4.48Å; F241-M263 HydrophobicContact CE1-CE 4.19Å; F241-M263 HydrophobicContact CE1-SD 3.57Å; F241-M263 VanDerWaalsContact CE1-SD 3.57Å; F241-M263 HydrophobicContact CE2-CE 3.72Å; F241-M263 HydrophobicContact CE2-SD 4.09Å; F241-M263 HydrophobicContact CZ-CE 3.54Å; F241-M263 HydrophobicContact CZ-SD 3.57Å; F241-M263 VanDerWaalsContact CZ-SD 3.57Å; F241-H274 HydrophobicContact CE1-CB 4.13Å; F241-H274 HydrophobicContact CE2-CB 4.11Å; F241-H274 AromaticContact CE2-CD2 3.8Å; F241-H274 HydrophobicContact CZ-CB 3.49Å; F241-H274 VanDerWaalsContact CZ-CB 3.49Å; F241-H274 AromaticContact CZ-CD2 3.81Å; F241-H274 AromaticContact CZ-CG 3.88Å; F241-V276 HydrophobicContact CD2-CG2 3.98Å
242L98.4Very high96.4Very high0 Ų029.2 Ų29.20%015%0.147CC..EExtended strand (participates in β ladder)trans-113.9121.2176.5-64.1-175000109.4F17 F21 Y24 I240 P252 A254 H274 A275 P277F17-L242 HydrophobicContact CD1-CD1 4.37Å; F17-L242 HydrophobicContact CE1-CB 3.68Å; F17-L242 HydrophobicContact CE1-CD1 3.81Å; F17-L242 HydrophobicContact CE1-CG 4.41Å; F17-L242 HydrophobicContact CZ-CB 3.82Å; F21-L242 HydrophobicContact CB-CD1 4.24Å; Y24-L242 HydrophobicContact CD2-CD1 4.39Å; Y24-L242 HydrophobicContact CD2-CD2 3.69Å; Y24-L242 HydrophobicContact CE2-CD2 3.86Å; I240-L242 HydrophobicContact CG2-CD2 4.25Å; L242-P252 HydrophobicContact CB-CB 3.99Å; L242-P252 HydrophobicContact CD1-CG 4.4Å; L242-A254 HydrophobicContact CD2-CB 3.56Å; L242-H274 CarbonylContact O-C 3.47Å; L242-H274 WeakPolarHBondContact O-CA 3.42Å; L242-H274 VanDerWaalsContact O-CB 3.29Å; L242-H274 WeakPolarHBondContact O-CB 3.21Å; L242-A275 HydrophobicContact CB-CB 4.41Å; L242-A275 PolarHBondContact N-O 3.18Å; L242-A275 PolarHBondContact O-N 3.29Å; L242-P277 HydrophobicContact CD1-CG 3.85Å; L242-P277 HydrophobicContact CG-CG 3.87Å
243L98.3Very high96.2Very high0 Ų029.9 Ų29.90%015%0.151CC..EExtended strand (participates in β ladder)trans-109108.4173.8-173.964.2000110L80 Y83 F86 F241 P252 T253 M255 M265 L272L80-L243 HydrophobicContact CD1-CD2 4.39Å; Y83-L243 HydrophobicContact CD1-CD2 3.38Å; Y83-L243 HydrophobicContact CD1-CG 3.67Å; Y83-L243 HydrophobicContact CE1-CB 4.35Å; Y83-L243 HydrophobicContact CE1-CD2 3.84Å; Y83-L243 HydrophobicContact CE1-CG 3.68Å; Y83-L243 HydrophobicContact CG-CD2 3.79Å; Y83-L243 PolarHBondContact OH-O 3.29Å; Y83-L243 VanDerWaalsContact OH-O 3.08Å; F86-L243 HydrophobicContact CB-CD2 4.41Å; F86-L243 HydrophobicContact CD1-CD2 4.37Å; F86-L243 HydrophobicContact CD2-CD2 3.51Å; F86-L243 HydrophobicContact CE2-CD2 3.73Å; F86-L243 HydrophobicContact CG-CD2 3.84Å; F86-L243 HydrophobicContact CZ-CD2 4.29Å; F241-L243 HydrophobicContact CD1-CB 4.39Å; F241-L243 HydrophobicContact CE1-CB 3.93Å; F241-L243 HydrophobicContact CE1-CD1 4.21Å; L243-P252 CarbonylContact O-C 3.53Å; L243-P252 VanDerWaalsContact O-CA 3.23Å; L243-P252 WeakPolarHBondContact O-CA 3.35Å; L243-T253 PolarHBondContact N-O 3.21Å; L243-T253 PolarHBondContact O-N 3.02Å; L243-M255 HydrophobicContact CB-CE 3.79Å; L243-M255 HydrophobicContact CD2-CE 4.3Å; L243-M265 HydrophobicContact CD1-CE 3.9Å; L243-L272 HydrophobicContact CD1-CB 4.12Å; L243-L272 HydrophobicContact CD1-CD1 4.18Å; L243-L272 HydrophobicContact CG-CD1 4.44Å
244G97.1Very high96.1Very high0 Ų030.2 Ų30.20%015%0.154CC..  trans-93.7-166.4178.500000113.8Y83 Y273Y83-G244 WeakPolarHBondContact CE1-O 3.3Å; G244-Y273 WeakPolarHBondContact CA-O 3.5Å; G244-Y273 PolarHBondContact N-O 2.74Å
245G96.6Very high96Very high10 Ų1030.2 Ų30.210%0.10315%0.154CC..  trans-93.3-171174.300000113.1H247 D250 Y273G245-H247 PolarHBondContact O-N 3.41Å; G245-D250 WeakPolarHBondContact CA-OD2 3.31Å; G245-Y273 PolarHBondContact O-N 3.2Å; G245-Y273 VanDerWaalsContact O-N 3.13Å
246P96.4Very high96Very high82 Ų8231.5 Ų31.553%0.53216%0.16SC..SBendtrans-66.1-12.4172.626.7-33.9000113.1D250 L272 Y273P246-D250 VanDerWaalsContact CD-OD2 3.27Å; P246-D250 WeakPolarHBondContact CD-OD2 3.47Å; P246-L272 HydrophobicContact CB-CD2 4.43Å; P246-Y273 WeakPolarHBondContact O-CE2 3.44Å
247H95.8Very high96.1Very high92 Ų9231.5 Ų31.543%0.42616%0.16SC..SBendtrans-123.7148.8174.6-4589000111.6G245 R249 D250G245-H247 PolarHBondContact O-N 3.41Å; H247-R249 HydrophobicContact CB-CG 3.86Å; H247-R249 PolarHBondContact O-N 2.76Å; H247-R249 VanDerWaalsContact O-N 3.09Å; H247-D250 WeakPolarHBondContact CB-OD2 3.4Å; H247-D250 IonicContact CG-OD2 3.1Å; H247-D250 PolarHBondContact N-OD2 3.32Å; H247-D250 IonicContact ND1-OD2 3.74Å; H247-D250 PolarHBondContact ND1-OD2 3.22Å; H247-D250 VanDerWaalsContact O-CB 3.31Å; H247-D250 WeakPolarHBondContact O-CB 3.25Å; H247-D250 PolarHBondContact O-N 2.74Å
248R92.4Very high96.1Very high84 Ų8433.5 Ų33.532%0.31717%0.169SC..THydrogen-bonded Turntrans-61.3-19.3176.7-60.3179.863.393.25.4114.7D15 F17 I217 D250 Y273D15-R248 HydrophobicContact CB-CB 4.43Å; D15-R248 IonicContact OD2-CZ 2.74Å; D15-R248 IonicContact OD2-NE 2.87Å; D15-R248 PolarHBondContact OD2-NE 3.31Å; D15-R248 VanDerWaalsContact OD2-NE 3.1Å; D15-R248 IonicContact OD2-NH2 2.64Å; F17-R248 WeakPolarHBondContact CB-O 3.47Å; F17-R248 PolarHBondContact N-O 2.64Å; I217-R248 PolarHBondContact O-NH1 2.83Å; R248-D250 VanDerWaalsContact C-N 3.33Å; R248-Y273 HydrophobicContact CG-CD1 4.06Å; R248-Y273 HydrophobicContact CG-CD2 4.14Å; R248-Y273 HydrophobicContact CG-CE1 3.78Å; R248-Y273 HydrophobicContact CG-CE2 3.84Å; R248-Y273 HydrophobicContact CG-CG 4.24Å
249R92.6Very high96.2Very high173 Ų17333.7 Ų33.765%0.65317%0.17SC*.THydrogen-bonded Turntrans-79.8-16.3175.761.3-179.9164.5-168.6-6.5113.2H247H247-R249 HydrophobicContact CB-CG 3.86Å; H247-R249 PolarHBondContact O-N 2.76Å; H247-R249 VanDerWaalsContact O-N 3.09Å
250D92.3Very high96.1Very high41 Ų4133.7 Ų33.722%0.21917%0.17CC..SBendtrans-74.1128.8-179-56.7-27000108.5G245 P246 H247 R248G245-D250 WeakPolarHBondContact CA-OD2 3.31Å; P246-D250 VanDerWaalsContact CD-OD2 3.27Å; P246-D250 WeakPolarHBondContact CD-OD2 3.47Å; H247-D250 WeakPolarHBondContact CB-OD2 3.4Å; H247-D250 IonicContact CG-OD2 3.1Å; H247-D250 PolarHBondContact N-OD2 3.32Å; H247-D250 IonicContact ND1-OD2 3.74Å; H247-D250 PolarHBondContact ND1-OD2 3.22Å; H247-D250 VanDerWaalsContact O-CB 3.31Å; H247-D250 WeakPolarHBondContact O-CB 3.25Å; H247-D250 PolarHBondContact O-N 2.74Å; R248-D250 VanDerWaalsContact C-N 3.33Å
251P92.3Very high96.2Very high89 Ų8933.9 Ų33.958%0.57817%0.171SC*.PPolyproline II helixtrans-65.8129-174.924.7-32.8000111.1V16V16-P251 HydrophobicContact CG1-CB 3.92Å
252P96.3Very high96.2Very high11 Ų1133.6 Ų33.67%0.07117%0.17CC..PPolyproline II helixtrans-76.9147.217831-35.4000112.7F17 M20 L242 L243F17-P252 HydrophobicContact CB-CG 4.48Å; F17-P252 HydrophobicContact CD1-CB 4.3Å; F17-P252 HydrophobicContact CD1-CG 3.88Å; F17-P252 HydrophobicContact CD2-CB 4.19Å; F17-P252 HydrophobicContact CD2-CG 4.3Å; F17-P252 HydrophobicContact CE1-CB 4.07Å; F17-P252 HydrophobicContact CE1-CG 4.08Å; F17-P252 HydrophobicContact CE2-CB 3.99Å; F17-P252 HydrophobicContact CG-CB 4.33Å; F17-P252 HydrophobicContact CG-CG 3.97Å; F17-P252 HydrophobicContact CZ-CB 3.9Å; F17-P252 HydrophobicContact CZ-CG 4.38Å; M20-P252 HydrophobicContact CB-CG 3.67Å; M20-P252 HydrophobicContact CG-CG 3.97Å; L242-P252 HydrophobicContact CB-CB 3.99Å; L242-P252 HydrophobicContact CD1-CG 4.4Å; L243-P252 CarbonylContact O-C 3.53Å; L243-P252 VanDerWaalsContact O-CA 3.23Å; L243-P252 WeakPolarHBondContact O-CA 3.35Å
253T95.6Very high96.2Very high17 Ų1733.8 Ų33.810%0.10417%0.171CC..EExtended strand (participates in β ladder)trans-88128.6165.1-63.70000109.1L80 Y83 L243L80-T253 HydrophobicContact CD1-CG2 4.32Å; Y83-T253 WeakPolarHBondContact CE2-OG1 3.42Å; Y83-T253 PolarHBondContact OH-N 3.01Å; Y83-T253 PolarHBondContact OH-OG1 3.19Å; L243-T253 PolarHBondContact N-O 3.21Å; L243-T253 PolarHBondContact O-N 3.02Å
254A96.5Very high96.2Very high7 Ų733.8 Ų33.86%0.05817%0.171CC..EExtended strand (participates in β ladder)trans-93.3137.2177.100000111.5Y24 V36 T37 I240 F241 L242Y24-A254 HydrophobicContact CD2-CB 4.34Å; Y24-A254 HydrophobicContact CE1-CB 4.47Å; Y24-A254 HydrophobicContact CE2-CB 3.47Å; Y24-A254 VanDerWaalsContact CE2-CB 3.47Å; Y24-A254 WeakPolarHBondContact OH-CB 2.99Å; V36-A254 HydrophobicContact CG1-CB 4.4Å; V36-A254 HydrophobicContact CG2-CB 4.3Å; T37-A254 WeakPolarHBondContact CB-O 3.35Å; T37-A254 PolarHBondContact N-O 3.28Å; T37-A254 PolarHBondContact OG1-O 2.84Å; I240-A254 HydrophobicContact CG2-CB 4.36Å; F241-A254 WeakPolarHBondContact O-CA 3.35Å; L242-A254 HydrophobicContact CD2-CB 3.56Å
255M96.4Very high96.3Very high0 Ų033.9 Ų33.90%017%0.171CC..EExtended strand (participates in β ladder)trans-143.5154.9177.365.7-163.375.100111.6V36 T37 F39 L80 F86 F88 I240 F241 L243V36-M255 VanDerWaalsContact CG1-C 3.5Å; T37-M255 CarbonylContact O-C 3.5Å; T37-M255 VanDerWaalsContact O-CA 3.28Å; T37-M255 WeakPolarHBondContact O-CA 3.41Å; F39-M255 HydrophobicContact CE2-CB 3.89Å; F39-M255 HydrophobicContact CE2-CG 4.34Å; F39-M255 HydrophobicContact CE2-SD 3.87Å; F39-M255 HydrophobicContact CZ-SD 4.43Å; L80-M255 HydrophobicContact CD1-CE 3.43Å; L80-M255 VanDerWaalsContact CD1-CE 3.43Å; L80-M255 HydrophobicContact CD1-SD 4.43Å; F86-M255 HydrophobicContact CE1-CE 4.45Å; F86-M255 HydrophobicContact CE1-SD 4.27Å; F86-M255 HydrophobicContact CE2-SD 4.42Å; F86-M255 HydrophobicContact CZ-CE 4Å; F86-M255 HydrophobicContact CZ-SD 3.58Å; F86-M255 VanDerWaalsContact CZ-SD 3.58Å; F88-M255 HydrophobicContact CD2-SD 4.26Å; F88-M255 HydrophobicContact CE2-SD 4.46Å; I240-M255 WeakPolarHBondContact CA-O 3.19Å; F241-M255 HydrophobicContact CB-CG 3.97Å; F241-M255 HydrophobicContact CD1-CE 4.22Å; F241-M255 HydrophobicContact CD1-CG 4.13Å; F241-M255 HydrophobicContact CD1-SD 3.96Å; F241-M255 PolarHBondContact N-O 2.93Å; F241-M255 PolarHBondContact O-N 3.08Å; L243-M255 HydrophobicContact CB-CE 3.79Å; L243-M255 HydrophobicContact CD2-CE 4.3Å
256F97.1Very high96.4Very high29 Ų2933.8 Ų33.813%0.12717%0.169CC..EExtended strand (participates in β ladder)trans-78.6146.5168.3-65.9-70.1000110.9L33 V36 T37 D38 S239 H258 L280L33-F256 HydrophobicContact CB-CZ 4.01Å; L33-F256 HydrophobicContact CD1-CE1 4.2Å; L33-F256 HydrophobicContact CD1-CZ 4.35Å; V36-F256 HydrophobicContact CB-CD2 4.19Å; V36-F256 HydrophobicContact CB-CE1 4.44Å; V36-F256 HydrophobicContact CB-CE2 3.68Å; V36-F256 HydrophobicContact CB-CZ 3.84Å; V36-F256 HydrophobicContact CG1-CD1 4.08Å; V36-F256 HydrophobicContact CG1-CD2 3.64Å; V36-F256 HydrophobicContact CG1-CE1 4.06Å; V36-F256 HydrophobicContact CG1-CE2 3.63Å; V36-F256 HydrophobicContact CG1-CG 3.88Å; V36-F256 HydrophobicContact CG1-CZ 3.86Å; T37-F256 PolarHBondContact O-N 3.27Å; D38-F256 HydrophobicContact CB-CD2 3.81Å; D38-F256 HydrophobicContact CB-CE2 4.32Å; S239-F256 CarbonylContact O-C 3.51Å; S239-F256 WeakPolarHBondContact O-CA 3.4Å; F256-H258 VanDerWaalsContact CB-NE2 3.28Å; F256-H258 WeakPolarHBondContact CB-NE2 3.12Å; F256-H258 AromaticContact CG-NE2 3.96Å; F256-L280 HydrophobicContact CD1-CD1 3.6Å; F256-L280 HydrophobicContact CE1-CD1 3.44Å; F256-L280 VanDerWaalsContact CE1-CD1 3.44Å
257M97.6Very high96.4Very high0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-119111.3162.4-65.3-76.6-60.200106.9F88 S238 S239 F241 D261 M263F88-M257 HydrophobicContact CD2-SD 4.23Å; F88-M257 HydrophobicContact CE2-SD 3.42Å; F88-M257 WeakPolarHBondContact CE2-SD 3.27Å; F88-M257 HydrophobicContact CZ-SD 4.15Å; S238-M257 CarbonylContact C-O 3.44Å; S238-M257 WeakPolarHBondContact CA-O 3.29Å; S239-M257 PolarHBondContact N-O 3.29Å; S239-M257 PolarHBondContact O-N 3.23Å; F241-M257 HydrophobicContact CB-CG 3.76Å; F241-M257 HydrophobicContact CG-CG 4.46Å; M257-D261 HydrophobicContact CE-CB 4.43Å; M257-M263 HydrophobicContact CE-CB 4.12Å; M257-M263 HydrophobicContact SD-CB 4.38Å
258H96.7Very high96.5Very high45 Ų4531.8 Ų31.821%0.20817%0.172CC..  trans-91.3-177.1175.9-54.1-80.3000111.3D38 S234 S238 F256 D261D38-H258 IonicContact OD1-NE2 3.26Å; D38-H258 PolarHBondContact OD1-NE2 3.17Å; D38-H258 IonicContact OD2-NE2 3.29Å; S234-H258 WeakPolarHBondContact CB-O 3.15Å; S234-H258 PolarHBondContact OG-O 3.03Å; S238-H258 PolarHBondContact OG-ND1 2.89Å; F256-H258 VanDerWaalsContact CB-NE2 3.28Å; F256-H258 WeakPolarHBondContact CB-NE2 3.12Å; F256-H258 AromaticContact CG-NE2 3.96Å; H258-D261 WeakPolarHBondContact CA-OD2 3.29Å; H258-D261 VanDerWaalsContact CB-OD2 3.3Å; H258-D261 WeakPolarHBondContact CB-OD2 3.13Å; H258-D261 IonicContact CD2-OD2 3.4Å; H258-D261 PolarHBondContact CD2-OD2 2.69Å; H258-D261 IonicContact CG-OD2 2.69Å; H258-D261 PolarHBondContact N-OD2 3.43Å; H258-D261 PolarHBondContact O-N 3.44Å
259S96.8Very high96.8Very high20 Ų2027.8 Ų27.814%0.1416%0.156CC..THydrogen-bonded Turntrans-75.7129.5176.5-161.80000109.9Q98 G236 D261Q98-S259 PolarHBondContact NE2-O 2.93Å; Q98-S259 PolarHBondContact OE1-OG 2.98Å; G236-S259 PolarHBondContact N-OG 3.32Å; S259-D261 VanDerWaalsContact C-N 3.31Å
260G97.4Very high97.1Very high0 Ų019.8 Ų19.80%013%0.126CC..THydrogen-bonded Turntrans88.9-12.8-174.300000114.2N91 P92 F93 Q98 S234N91-G260 WeakPolarHBondContact CA-O 3.37Å; P92-G260 VanDerWaalsContact CD-O 3.32Å; P92-G260 WeakPolarHBondContact CD-O 3.18Å; F93-G260 WeakPolarHBondContact CE2-O 3.36Å; Q98-G260 VanDerWaalsContact NE2-CA 3.28Å; S234-G260 PolarHBondContact O-N 3.41Å
261D98.6Very high97.3Very high4 Ų421.2 Ų21.22%0.02113%0.133CC..  trans-65.8142.3-179.2-71.6-14.1000111.4F88 S90 N91 S234 M257 H258 S259F88-D261 HydrophobicContact CE1-CB 4.05Å; F88-D261 HydrophobicContact CZ-CB 3.73Å; F88-D261 WeakPolarHBondContact CZ-OD2 3.23Å; S90-D261 WeakPolarHBondContact CA-OD1 3.41Å; N91-D261 PolarHBondContact N-OD1 2.93Å; S234-D261 PolarHBondContact N-O 2.82Å; M257-D261 HydrophobicContact CE-CB 4.43Å; H258-D261 WeakPolarHBondContact CA-OD2 3.29Å; H258-D261 VanDerWaalsContact CB-OD2 3.3Å; H258-D261 WeakPolarHBondContact CB-OD2 3.13Å; H258-D261 IonicContact CD2-OD2 3.4Å; H258-D261 PolarHBondContact CD2-OD2 2.69Å; H258-D261 IonicContact CG-OD2 2.69Å; H258-D261 PolarHBondContact N-OD2 3.43Å; H258-D261 PolarHBondContact O-N 3.44Å; S259-D261 VanDerWaalsContact C-N 3.31Å
262V98.8Very high97.6Very high1 Ų117.7 Ų17.71%0.00611%0.11CC..EExtended strand (participates in β ladder)trans-121.3133.9-177.8-1760000109.2F88 I89 P92 F93 I190 L231 S232 L233F88-V262 CarbonylContact C-O 3.58Å; F88-V262 WeakPolarHBondContact CA-O 3.5Å; I89-V262 HydrophobicContact CB-CB 4.18Å; I89-V262 HydrophobicContact CD1-CG1 4.45Å; I89-V262 PolarHBondContact N-O 3.32Å; I89-V262 PolarHBondContact O-N 3.38Å; P92-V262 HydrophobicContact CG-CG2 3.74Å; F93-V262 HydrophobicContact CE2-CG2 4.3Å; I190-V262 HydrophobicContact CD1-CG1 4.47Å; I190-V262 HydrophobicContact CD1-CG2 4.46Å; I190-V262 HydrophobicContact CG2-CG1 3.95Å; L231-V262 HydrophobicContact CD1-CG1 3.42Å; L231-V262 VanDerWaalsContact CD1-CG1 3.42Å; S232-V262 CarbonylContact O-C 3.55Å; S232-V262 WeakPolarHBondContact O-CA 3.1Å; L233-V262 HydrophobicContact CD2-CB 4.16Å; L233-V262 HydrophobicContact CD2-CG1 3.79Å; L233-V262 HydrophobicContact CD2-CG2 3.55Å
263M98.7Very high97.7Very high4 Ų420.2 Ų20.22%0.0212%0.118CC..EExtended strand (participates in β ladder)trans-123133.5175.7179.6-177.57200108.9F86 I87 S232 F241 M257 M265F86-M263 HydrophobicContact CD2-CG 4.33Å; F86-M263 HydrophobicContact CE2-CG 3.49Å; F86-M263 VanDerWaalsContact CE2-CG 3.49Å; F86-M263 HydrophobicContact CE2-SD 3.58Å; F86-M263 VanDerWaalsContact CE2-SD 3.58Å; F86-M263 HydrophobicContact CZ-CG 4Å; F86-M263 HydrophobicContact CZ-SD 4.19Å; I87-M263 WeakPolarHBondContact O-CA 3.3Å; S232-M263 PolarHBondContact N-O 3.29Å; S232-M263 PolarHBondContact O-N 2.97Å; F241-M263 HydrophobicContact CD1-SD 4.09Å; F241-M263 HydrophobicContact CD2-CE 4.48Å; F241-M263 HydrophobicContact CE1-CE 4.19Å; F241-M263 HydrophobicContact CE1-SD 3.57Å; F241-M263 VanDerWaalsContact CE1-SD 3.57Å; F241-M263 HydrophobicContact CE2-CE 3.72Å; F241-M263 HydrophobicContact CE2-SD 4.09Å; F241-M263 HydrophobicContact CZ-CE 3.54Å; F241-M263 HydrophobicContact CZ-SD 3.57Å; F241-M263 VanDerWaalsContact CZ-SD 3.57Å; M257-M263 HydrophobicContact CE-CB 4.12Å; M257-M263 HydrophobicContact SD-CB 4.38Å; M263-M265 HydrophobicContact CE-CG 4.41Å; M263-M265 HydrophobicContact CE-SD 3.81Å; M263-M265 HydrophobicContact CG-CG 4.37Å; M263-M265 HydrophobicContact SD-SD 4.31Å
264L98.7Very high97.9Very high1 Ų119.9 Ų19.91%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-123.7124.8175.8-176.2153.3000109I87 T191 C194 F196 P229 L230I87-L264 HydrophobicContact CB-CB 4.3Å; I87-L264 HydrophobicContact CD1-CD2 4.32Å; I87-L264 PolarHBondContact N-O 3Å; I87-L264 PolarHBondContact O-N 3.17Å; T191-L264 HydrophobicContact CG2-CD1 4.09Å; C194-L264 HydrophobicContact CB-CD1 3.66Å; F196-L264 HydrophobicContact CD2-CD1 4.43Å; F196-L264 HydrophobicContact CD2-CD2 4.44Å; F196-L264 HydrophobicContact CE2-CD2 3.97Å; P229-L264 HydrophobicContact CB-CD1 3.95Å; P229-L264 HydrophobicContact CB-CD2 3.74Å; P229-L264 HydrophobicContact CB-CG 3.74Å; P229-L264 HydrophobicContact CG-CD1 4.41Å; L230-L264 WeakPolarHBondContact O-CA 3.31Å
265M98.7Very high98Very high1 Ų119.5 Ų19.51%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-113.8112.9178-64.1174.465.700108.8F86 P229 L230 L243 M263 S269 R270 L272F86-M265 HydrophobicContact CD2-CG 4.21Å; P229-M265 CarbonylContact C-O 3.52Å; P229-M265 WeakPolarHBondContact CA-O 3.36Å; L230-M265 HydrophobicContact CB-CB 4.48Å; L230-M265 PolarHBondContact N-O 2.95Å; L230-M265 PolarHBondContact O-N 3.26Å; L243-M265 HydrophobicContact CD1-CE 3.9Å; M263-M265 HydrophobicContact CE-CG 4.41Å; M263-M265 HydrophobicContact CE-SD 3.81Å; M263-M265 HydrophobicContact CG-CG 4.37Å; M263-M265 HydrophobicContact SD-SD 4.31Å; M265-S269 WeakPolarHBondContact CA-OG 3.3Å; M265-S269 WeakPolarHBondContact CE-O 3.49Å; M265-R270 WeakPolarHBondContact O-CD 3.35Å; M265-L272 HydrophobicContact CE-CB 4.49Å
266S98.5Very high98.1Very high8 Ų819.6 Ų19.66%0.05611%0.113CC..  trans-132.9166-179.768.40000111.5G85 F196 S269 R270G85-S266 CarbonylContact C-O 3.58Å; G85-S266 WeakPolarHBondContact CA-O 3.26Å; G85-S266 WeakPolarHBondContact CA-OG 3.45Å; G85-S266 PolarHBondContact O-N 3.03Å; G85-S266 PolarHBondContact O-OG 2.98Å; F196-S266 WeakPolarHBondContact CZ-OG 3.4Å; S266-S269 PolarHBondContact N-OG 3.35Å; S266-S269 PolarHBondContact O-N 2.9Å; S266-S269 PolarHBondContact O-OG 2.86Å; S266-R270 PolarHBondContact O-N 2.72Å
267G97.4Very high98.1Very high41 Ų4118.4 Ų18.442%0.42311%0.108SC..G310 helixtrans51.3-130.8177.300000111.9S269 R270G267-S269 VanDerWaalsContact C-N 3.25Å; G267-S269 PolarHBondContact O-N 3.16Å; G267-R270 WeakPolarHBondContact O-CB 3.45Å; G267-R270 PolarHBondContact O-N 2.84Å; G267-R270 VanDerWaalsContact O-N 3.08Å
268P97.6Very high98.1Very high91 Ų9119.6 Ų19.659%0.59111%0.113SC*.G310 helixtrans-59.1-32.3-179.9-25.435.6000114.5P84 R270P84-P268 HydrophobicContact CB-CG 4.39Å; P84-P268 HydrophobicContact CG-CB 3.99Å; P84-P268 HydrophobicContact CG-CG 3.96Å; P268-R270 PolarHBondContact O-N 3.45Å
269S98.1Very high98.2Very high0 Ų017.6 Ų17.60%010%0.104CC..G310 helixtrans-69.6-21.5179.173.60000113.6P84 G85 F86 M265 S266 G267 L271 L272P84-S269 WeakPolarHBondContact O-CB 3.46Å; P84-S269 PolarHBondContact O-N 3.42Å; P84-S269 VanDerWaalsContact O-N 3.16Å; G85-S269 PolarHBondContact O-OG 3.1Å; F86-S269 PolarHBondContact N-OG 2.95Å; M265-S269 WeakPolarHBondContact CA-OG 3.3Å; M265-S269 WeakPolarHBondContact CE-O 3.49Å; S266-S269 PolarHBondContact N-OG 3.35Å; S266-S269 PolarHBondContact O-N 2.9Å; S266-S269 PolarHBondContact O-OG 2.86Å; G267-S269 VanDerWaalsContact C-N 3.25Å; G267-S269 PolarHBondContact O-N 3.16Å; S269-L271 PolarHBondContact O-N 3.1Å; S269-L271 VanDerWaalsContact O-N 3.17Å; S269-L272 WeakPolarHBondContact O-CG 3.46Å; S269-L272 PolarHBondContact O-N 2.94Å
270R98.2Very high98.1Very high6 Ų617.6 Ų17.62%0.02310%0.102CC..G310 helixtrans-59.7-29.5-173-17662.2-175.674.23113.9D220 E223 R228 M265 S266 G267 P268D220-R270 PolarHBondContact O-NH1 3.08Å; E223-R270 IonicContact OE1-NH2 3.37Å; E223-R270 PolarHBondContact OE1-NH2 2.99Å; E223-R270 IonicContact OE2-CZ 3.57Å; E223-R270 IonicContact OE2-NH1 3.55Å; E223-R270 IonicContact OE2-NH2 2.85Å; E223-R270 PolarHBondContact OE2-NH2 2.96Å; R228-R270 PolarHBondContact O-NE 3.03Å; M265-R270 WeakPolarHBondContact O-CD 3.35Å; S266-R270 PolarHBondContact O-N 2.72Å; G267-R270 WeakPolarHBondContact O-CB 3.45Å; G267-R270 PolarHBondContact O-N 2.84Å; G267-R270 VanDerWaalsContact O-N 3.08Å; P268-R270 PolarHBondContact O-N 3.45Å
271L97.9Very high97.6Very high70 Ų7022.2 Ų22.237%0.36613%0.132SC..G310 helixtrans-115.824.5-175.4-61.3177.5000112.6V219 E221 S269V219-L271 HydrophobicContact CG1-CB 4.15Å; V219-L271 HydrophobicContact CG1-CD2 4.09Å; E221-L271 HydrophobicContact CB-CD2 4.11Å; S269-L271 PolarHBondContact O-N 3.1Å; S269-L271 VanDerWaalsContact O-N 3.17Å
272L98.5Very high96.7Very high16 Ų1624.1 Ų24.18%0.08415%0.148CC..  trans-83.3144.1176.3-61.6-178.8000111.7Y83 L243 P246 M265 S269 H274Y83-L272 HydrophobicContact CD1-CD1 3.67Å; Y83-L272 HydrophobicContact CE1-CD1 4.29Å; L243-L272 HydrophobicContact CD1-CB 4.12Å; L243-L272 HydrophobicContact CD1-CD1 4.18Å; L243-L272 HydrophobicContact CG-CD1 4.44Å; P246-L272 HydrophobicContact CB-CD2 4.43Å; M265-L272 HydrophobicContact CE-CB 4.49Å; S269-L272 WeakPolarHBondContact O-CG 3.46Å; S269-L272 PolarHBondContact O-N 2.94Å; L272-H274 PolarHBondContact O-N 2.79Å; L272-H274 PolarHBondContact O-ND1 3.03Å
273Y98.6Very high95.5Very high64 Ų6427.3 Ų27.325%0.25117%0.169SC..  trans-61.6135.8171.1-79.7-77000110F17 I217 H218 V219 G244 G245 P246 R248F17-Y273 WeakPolarHBondContact CE2-O 3.5Å; I217-Y273 HydrophobicContact CG2-CD1 3.76Å; I217-Y273 HydrophobicContact CG2-CG 4.29Å; H218-Y273 CarbonylContact O-C 3.59Å; H218-Y273 WeakPolarHBondContact O-CA 3.28Å; V219-Y273 HydrophobicContact CG2-CD1 3.53Å; V219-Y273 HydrophobicContact CG2-CD2 4.03Å; V219-Y273 HydrophobicContact CG2-CE1 3.62Å; V219-Y273 HydrophobicContact CG2-CE2 4.12Å; V219-Y273 HydrophobicContact CG2-CG 3.74Å; G244-Y273 WeakPolarHBondContact CA-O 3.5Å; G244-Y273 PolarHBondContact N-O 2.74Å; G245-Y273 PolarHBondContact O-N 3.2Å; G245-Y273 VanDerWaalsContact O-N 3.13Å; P246-Y273 WeakPolarHBondContact O-CE2 3.44Å; R248-Y273 HydrophobicContact CG-CD1 4.06Å; R248-Y273 HydrophobicContact CG-CD2 4.14Å; R248-Y273 HydrophobicContact CG-CE1 3.78Å; R248-Y273 HydrophobicContact CG-CE2 3.84Å; R248-Y273 HydrophobicContact CG-CG 4.24Å
274H98.8Very high93.8Very high9 Ų933.5 Ų33.54%0.04221%0.21CC..EExtended strand (participates in β ladder)trans-148.2162.7177.361.3-81.7000112.5I217 H218 D220 F241 L242 L272I217-H274 WeakPolarHBondContact CA-O 2.96Å; H218-H274 AromaticContact CD2-NE2 3.98Å; H218-H274 AromaticContact CE1-CD2 3.57Å; H218-H274 AromaticContact CE1-NE2 3.34Å; H218-H274 PolarHBondContact CE1-NE2 3.47Å; H218-H274 VanDerWaalsContact CE1-NE2 3.34Å; H218-H274 PolarHBondContact N-O 3.05Å; H218-H274 PolarHBondContact ND1-O 3.21Å; H218-H274 AromaticContact NE2-CD2 3.93Å; H218-H274 AromaticContact NE2-CE1 3.82Å; H218-H274 AromaticContact NE2-NE2 3.21Å; H218-H274 PolarHBondContact NE2-NE2 3.35Å; H218-H274 PolarHBondContact O-N 2.83Å; H218-H274 PolarHBondContact O-ND1 3.34Å; D220-H274 IonicContact OD2-CE1 2.85Å; D220-H274 IonicContact OD2-NE2 2.97Å; F241-H274 HydrophobicContact CE1-CB 4.13Å; F241-H274 HydrophobicContact CE2-CB 4.11Å; F241-H274 AromaticContact CE2-CD2 3.8Å; F241-H274 HydrophobicContact CZ-CB 3.49Å; F241-H274 VanDerWaalsContact CZ-CB 3.49Å; F241-H274 AromaticContact CZ-CD2 3.81Å; F241-H274 AromaticContact CZ-CG 3.88Å; L242-H274 CarbonylContact O-C 3.47Å; L242-H274 WeakPolarHBondContact O-CA 3.42Å; L242-H274 VanDerWaalsContact O-CB 3.29Å; L242-H274 WeakPolarHBondContact O-CB 3.21Å; L272-H274 PolarHBondContact O-N 2.79Å; L272-H274 PolarHBondContact O-ND1 3.03Å
275A98.6Very high92.1Very high0 Ų041.2 Ų41.20%025%0.246CC..EExtended strand (participates in β ladder)trans-156.6160.4-177.800000112.6F17 F21 I217 L242F17-A275 HydrophobicContact CE1-CB 3.85Å; F17-A275 HydrophobicContact CZ-CB 4.22Å; F21-A275 HydrophobicContact CD2-CB 3.68Å; F21-A275 HydrophobicContact CE2-CB 3.92Å; I217-A275 HydrophobicContact CG1-CB 4.01Å; L242-A275 HydrophobicContact CB-CB 4.41Å; L242-A275 PolarHBondContact N-O 3.18Å; L242-A275 PolarHBondContact O-N 3.29Å
276V98.7Very high90.6Very high2 Ų242.5 Ų42.51%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-120.886.8170.6-174.60000108.5S214 L215 F241 R278 I279S214-V276 CarbonylContact C-O 3.56Å; S214-V276 VanDerWaalsContact CA-O 3.27Å; S214-V276 WeakPolarHBondContact CA-O 3.42Å; S214-V276 WeakPolarHBondContact CB-O 3.46Å; L215-V276 HydrophobicContact CB-CB 3.89Å; L215-V276 HydrophobicContact CB-CG2 4.2Å; L215-V276 HydrophobicContact CD2-CG2 4.45Å; L215-V276 PolarHBondContact N-O 2.94Å; L215-V276 PolarHBondContact O-N 2.9Å; F241-V276 HydrophobicContact CD2-CG2 3.98Å; V276-R278 VanDerWaalsContact C-N 3.33Å; V276-R278 PolarHBondContact O-N 3.32Å; V276-I279 HydrophobicContact CG1-CD1 4.07Å
277P98.1Very high88.8Confident3 Ų345.1 Ų45.12%0.01927%0.272CS..EExtended strand (participates in β ladder)trans-68.1-28.8-176.725.1-37000114F21 K25 I240 L242F21-P277 HydrophobicContact CD2-CB 3.73Å; F21-P277 HydrophobicContact CD2-CG 4.49Å; F21-P277 HydrophobicContact CE2-CB 3.83Å; F21-P277 HydrophobicContact CG-CB 4.28Å; F21-P277 HydrophobicContact CZ-CB 4.45Å; K25-P277 HydrophobicContact CB-CB 4.17Å; I240-P277 HydrophobicContact CB-CG 4.22Å; I240-P277 HydrophobicContact CG2-CG 4.03Å; I240-P277 VanDerWaalsContact O-CD 3.28Å; I240-P277 WeakPolarHBondContact O-CD 3.42Å; L242-P277 HydrophobicContact CD1-CG 3.85Å; L242-P277 HydrophobicContact CG-CG 3.87Å
278R97.3Very high87Confident25 Ų2546.1 Ų46.19%0.09428%0.277CS..EExtended strand (participates in β ladder)trans-151.2133.3-169.2-173.6165.4-176.3-178.94113.8Y24 R26 P31 S239 I240 V276 L280Y24-R278 WeakPolarHBondContact O-CB 3.48Å; Y24-R278 WeakPolarHBondContact O-CD 3.46Å; R26-R278 PolarHBondContact O-NH1 3.25Å; R26-R278 VanDerWaalsContact O-NH1 3.1Å; P31-R278 VanDerWaalsContact CD-NH1 3.31Å; S239-R278 CarbonylContact C-O 3.53Å; S239-R278 VanDerWaalsContact CA-O 3.24Å; S239-R278 WeakPolarHBondContact CA-O 3.14Å; S239-R278 WeakPolarHBondContact CB-O 3.41Å; I240-R278 HydrophobicContact CD1-CB 4.32Å; I240-R278 PolarHBondContact N-O 3.45Å; V276-R278 VanDerWaalsContact C-N 3.33Å; V276-R278 PolarHBondContact O-N 3.32Å; R278-L280 HydrophobicContact CG-CD2 4.14Å
279I97.4Very high85.3Confident3 Ų346.4 Ų46.42%0.01527%0.273CS..EExtended strand (participates in β ladder)trans-92.4130.6159.2-49-52.8000108.2Y209 Q237 V276 R324Y209-I279 HydrophobicContact CD1-CD1 4.43Å; Y209-I279 HydrophobicContact CG-CD1 4.04Å; Y209-I279 HydrophobicContact CG-CG1 4.48Å; Q237-I279 HydrophobicContact CB-CG2 3.62Å; Q237-I279 HydrophobicContact CG-CG2 4.47Å; V276-I279 HydrophobicContact CG1-CD1 4.07Å; I279-R324 HydrophobicContact CD1-CB 4.2Å; I279-R324 HydrophobicContact CG2-CB 4.3Å
280L94.6Very high83.7Confident21 Ų2146.8 Ų46.811%0.1128%0.275CS..PPolyproline II helixtrans-89.6142.4-176.6-60.7167.2000109.8L33 Q237 S238 I240 F256 R278L33-L280 HydrophobicContact CD1-CD2 3.81Å; Q237-L280 PolarHBondContact OE1-O 3.36Å; S238-L280 WeakPolarHBondContact O-CB 3.28Å; S238-L280 PolarHBondContact O-N 2.86Å; I240-L280 HydrophobicContact CD1-CD2 4.29Å; I240-L280 HydrophobicContact CG1-CD1 4.29Å; I240-L280 HydrophobicContact CG1-CD2 4.32Å; I240-L280 HydrophobicContact CG1-CG 4.47Å; F256-L280 HydrophobicContact CD1-CD1 3.6Å; F256-L280 HydrophobicContact CE1-CD1 3.44Å; F256-L280 VanDerWaalsContact CE1-CD1 3.44Å; R278-L280 HydrophobicContact CG-CD2 4.14Å
281P88.3Confident81.9Confident96 Ų9653.2 Ų53.262%0.62331%0.305SS*.PPolyproline II helixtrans-65.3154.9171.930-34.2000110.4
282A80.3Confident80.1Confident44 Ų4453.7 Ų53.736%0.36431%0.305SS..PPolyproline II helixtrans-60.5134.9176.200000110.6R286A282-R286 HydrophobicContact CB-CB 4.02Å; A282-R286 HydrophobicContact CB-CG 4.33Å
283P73.1Confident78.5Confident69 Ų6954.1 Ų54.145%0.44831%0.308SS..PPolyproline II helixtrans-63.2152.5162.826.8-32.5000109.6Q285 R286P283-Q285 PolarHBondContact O-N 2.88Å; P283-R286 HydrophobicContact CG-CB 4.3Å; P283-R286 VanDerWaalsContact O-CB 3.26Å; P283-R286 WeakPolarHBondContact O-CB 3.5Å; P283-R286 PolarHBondContact O-N 3.41Å
284P61.5Low76.8Confident134 Ų13453.1 Ų53.187%0.8731%0.307SS*.THydrogen-bonded Turntrans-54.4-29.2-175.7-27.234.3000114.8R286P284-R286 VanDerWaalsContact C-N 3.31Å; P284-R286 PolarHBondContact O-N 3.27Å
285Q64Low74.8Confident163 Ų16356.2 Ų56.276%0.76233%0.329SS*.THydrogen-bonded Turntrans-83.60.7-176.5-66.7150.24.500113.9P283 A287 A288P283-Q285 PolarHBondContact O-N 2.88Å; Q285-A287 VanDerWaalsContact C-N 3.32Å; Q285-A287 PolarHBondContact O-N 3.26Å; Q285-A288 PolarHBondContact O-N 3.02Å
286R66.7Low72.8Confident27 Ų2759 Ų5910%0.10235%0.351CS..Hα-helixtrans-69.2-23.1-171.4-170.2167.6-175.6126.115.5114.9G236 Q237 A282 P283 P284 A288 L289 L290G236-R286 PolarHBondContact O-NH2 3.44Å; Q237-R286 VanDerWaalsContact NE2-NE 3.15Å; A282-R286 HydrophobicContact CB-CB 4.02Å; A282-R286 HydrophobicContact CB-CG 4.33Å; P283-R286 HydrophobicContact CG-CB 4.3Å; P283-R286 VanDerWaalsContact O-CB 3.26Å; P283-R286 WeakPolarHBondContact O-CB 3.5Å; P283-R286 PolarHBondContact O-N 3.41Å; P284-R286 VanDerWaalsContact C-N 3.31Å; P284-R286 PolarHBondContact O-N 3.27Å; R286-A288 VanDerWaalsContact C-N 3.3Å; R286-A288 PolarHBondContact O-N 3.37Å; R286-L289 PolarHBondContact O-N 3.01Å; R286-L290 PolarHBondContact O-N 3.48Å
287A61.2Low70.6Confident63 Ų6363.8 Ų63.852%0.52139%0.385SS..Hα-helixtrans-58.7-43.1178.400000111.6Q285 L289 L290 E291Q285-A287 VanDerWaalsContact C-N 3.32Å; Q285-A287 PolarHBondContact O-N 3.26Å; A287-L289 PolarHBondContact O-N 3.28Å; A287-L290 PolarHBondContact O-N 3.06Å; A287-E291 PolarHBondContact O-N 2.85Å
288A59.3Low68.5Low62 Ų6266.9 Ų66.951%0.51242%0.418SS..Hα-helixtrans-63.8-38.9176.600000112.4Q285 R286 L290 E291 E292Q285-A288 PolarHBondContact O-N 3.02Å; R286-A288 VanDerWaalsContact C-N 3.3Å; R286-A288 PolarHBondContact O-N 3.37Å; A288-L290 VanDerWaalsContact C-N 3.26Å; A288-L290 PolarHBondContact O-N 2.87Å; A288-E291 PolarHBondContact O-N 3.33Å; A288-E292 PolarHBondContact O-N 3.1Å
289L62.5Low66.6Low97 Ų9769.8 Ų69.851%0.50844%0.435SS..Hα-helixtrans-65.8-26.6178-66.9172000113R286 A287R286-L289 PolarHBondContact O-N 3.01Å; A287-L289 PolarHBondContact O-N 3.28Å
290L63.9Low64.9Low8 Ų874.5 Ų74.54%0.04246%0.457CS..Hα-helixtrans-78.1-27.6176.7-67.8173.9000112.5R286 A287 A288 E292 L293 W313 I320 Q321R286-L290 PolarHBondContact O-N 3.48Å; A287-L290 PolarHBondContact O-N 3.06Å; A288-L290 VanDerWaalsContact C-N 3.26Å; A288-L290 PolarHBondContact O-N 2.87Å; L290-E292 VanDerWaalsContact C-N 3.3Å; L290-L293 HydrophobicContact CD2-CD1 3.6Å; L290-L293 WeakPolarHBondContact O-CB 3.03Å; L290-L293 PolarHBondContact O-N 3.09Å; L290-W313 WeakPolarHBondContact O-CZ2 3.26Å; L290-I320 HydrophobicContact CD2-CD1 3.88Å; L290-I320 HydrophobicContact CD2-CG1 4.2Å; L290-Q321 HydrophobicContact CD1-CG 3.31Å
291E60.3Low62.9Low142 Ų14280.8 Ų80.866%0.66450%0.496SS*.Hα-helixtrans-65.7-37.8172.9-70178.3170.600110.7A287 A288 L293 N294A287-E291 PolarHBondContact O-N 2.85Å; A288-E291 PolarHBondContact O-N 3.33Å; E291-L293 PolarHBondContact O-N 3.45Å; E291-N294 PolarHBondContact O-N 2.8Å
292E61.3Low61.7Low79 Ų7979.3 Ų79.337%0.36950%0.498SS..G310 helixtrans-64.7-24.4175.9-56-167.4144.400113.7R95 A288 L290 N294 C295R95-E292 IonicContact CZ-OE1 3.8Å; R95-E292 IonicContact NH2-OE1 2.74Å; R95-E292 PolarHBondContact NH2-OE1 3.1Å; R95-E292 IonicContact NH2-OE2 3.92Å; A288-E292 PolarHBondContact O-N 3.1Å; L290-E292 VanDerWaalsContact C-N 3.3Å; E292-N294 PolarHBondContact O-N 3.33Å; E292-C295 PolarHBondContact O-N 3.36Å
293L63.1Low61.7Low25 Ų2578.6 Ų78.613%0.13149%0.49CS..G310 helixtrans-71.7-11.2177.7-63.2-179.4000113.1G96 Q98 A99 L290 E291 W313 I320G96-L293 CarbonylContact C-O 3.31Å; G96-L293 VanDerWaalsContact C-O 3.31Å; G96-L293 WeakPolarHBondContact CA-O 3.25Å; Q98-L293 HydrophobicContact CB-CD2 4.14Å; Q98-L293 HydrophobicContact CG-CD2 4.32Å; A99-L293 WeakPolarHBondContact CB-O 3.01Å; L290-L293 HydrophobicContact CD2-CD1 3.6Å; L290-L293 WeakPolarHBondContact O-CB 3.03Å; L290-L293 PolarHBondContact O-N 3.09Å; E291-L293 PolarHBondContact O-N 3.45Å; L293-W313 HydrophobicContact CB-CH2 3.8Å; L293-W313 HydrophobicContact CB-CZ2 3.65Å; L293-W313 HydrophobicContact CD1-CH2 4Å; L293-W313 HydrophobicContact CD1-CZ2 4.26Å; L293-I320 HydrophobicContact CD1-CD1 4.43Å
294N63.9Low62.4Low43 Ų4377 Ų7723%0.2348%0.479CS..G310 helixtrans-104.7-7178-159.333.3000113.6E291 E292 A296 Q310 W313E291-N294 PolarHBondContact O-N 2.8Å; E292-N294 PolarHBondContact O-N 3.33Å; N294-A296 VanDerWaalsContact C-N 3.32Å; N294-A296 PolarHBondContact O-N 3.19Å; N294-Q310 PolarHBondContact ND2-OE1 2.88Å; N294-Q310 VanDerWaalsContact ND2-OE1 3.16Å; N294-W313 HydrophobicContact CB-CD2 4.39Å; N294-W313 HydrophobicContact CB-CG 4.18Å
295C56.5Low63.7Low75 Ų7571.4 Ų71.451%0.50744%0.442SS..  trans-83.970.2-179.5-64.80000111.3E292 S297E292-C295 PolarHBondContact O-N 3.36Å; C295-S297 PolarHBondContact O-N 3.13Å
296A57.1Low64.9Low57 Ų5769.1 Ų69.147%0.47143%0.431SS..  trans-68.3120.2171.700000109.7N294 L299N294-A296 VanDerWaalsContact C-N 3.32Å; N294-A296 PolarHBondContact O-N 3.19Å; A296-L299 HydrophobicContact CB-CD1 4.42Å
297S52.5Low65.9Low104 Ų10472.5 Ų72.573%0.72746%0.457SS*.  trans-92.8115.2173.215.70000109C295C295-S297 PolarHBondContact O-N 3.13Å
298G53.3Low67.3Low68 Ų6870.5 Ų70.570%0.70144%0.438SS*.  trans5685.5167.300000115.8Q300G298-Q300 PolarHBondContact O-N 3.12Å
299L57.5Low68.8Low86 Ų8670.3 Ų70.345%0.4543%0.433SS..PPolyproline II helixtrans-60.5124.9167.5-8486.4000110A296 L305 P307A296-L299 HydrophobicContact CB-CD1 4.42Å; L299-L305 WeakPolarHBondContact CD2-O 3.34Å; L299-P307 HydrophobicContact CD1-CG 4.19Å; L299-P307 HydrophobicContact CD2-CG 3.95Å
300Q61.3Low70.1Confident102 Ų10270.8 Ų70.848%0.47743%0.433SS..PPolyproline II helixtrans-78151.4172.9-61.9-169.91400111G298 G302 S303G298-Q300 PolarHBondContact O-N 3.12Å; Q300-G302 PolarHBondContact O-N 2.81Å; Q300-S303 WeakPolarHBondContact O-CB 3.49Å; Q300-S303 PolarHBondContact O-N 2.96Å
301T54Low71.4Confident153 Ų15376 Ų7694%0.93946%0.457SS*.THydrogen-bonded Turntrans-61.7120.7172.8-50.60000109.8
302G62.6Low73Confident65 Ų6570.1 Ų70.167%0.6743%0.43SS*.THydrogen-bonded Turntrans97.90.5-17800000115.6Q300Q300-G302 PolarHBondContact O-N 2.81Å
303S80.8Confident74.5Confident28 Ų2866.8 Ų66.820%0.19641%0.414CS..  trans-63138.1172.2168.10000112.1C66 Q300 L305C66-S303 PolarHBondContact O-OG 2.65Å; Q300-S303 WeakPolarHBondContact O-CB 3.49Å; Q300-S303 PolarHBondContact O-N 2.96Å; S303-L305 VanDerWaalsContact C-N 3.26Å; S303-L305 VanDerWaalsContact OG-CB 3.3Å; S303-L305 WeakPolarHBondContact OG-CB 3.31Å; S303-L305 PolarHBondContact OG-N 3.33Å; S303-L305 PolarHBondContact OG-O 2.85Å
304V88.1Confident75.8Confident35 Ų3568.7 Ų68.721%0.21242%0.424CS..SBendtrans-77.4-17.6169.8-62.50000112.2C66 V67 F100 D182 M185 E306C66-V304 VanDerWaalsContact O-CG2 3.27Å; C66-V304 WeakPolarHBondContact O-CG2 3.33Å; C66-V304 PolarHBondContact O-N 3.16Å; V67-V304 HydrophobicContact CB-CG2 4.39Å; V67-V304 HydrophobicContact CG1-CG2 3.81Å; F100-V304 WeakPolarHBondContact CE2-O 3.4Å; F100-V304 VanDerWaalsContact CZ-O 3.3Å; F100-V304 WeakPolarHBondContact CZ-O 3.38Å; D182-V304 HydrophobicContact CB-CB 4.32Å; D182-V304 HydrophobicContact CB-CG2 4.38Å; M185-V304 HydrophobicContact CE-CG1 3.86Å; M185-V304 HydrophobicContact SD-CG1 3.6Å; M185-V304 VanDerWaalsContact SD-CG1 3.6Å; V304-E306 PolarHBondContact O-N 3.22Å
305L87.7Confident77.2Confident18 Ų1866.7 Ų66.79%0.09441%0.414CS..PPolyproline II helixtrans-68.6118.6175.5-53.6-179.6000109.3S97 F100 W101 L299 S303S97-L305 WeakPolarHBondContact OG-CD1 3.34Å; F100-L305 HydrophobicContact CB-CD2 3.94Å; F100-L305 HydrophobicContact CD1-CD2 3.34Å; F100-L305 HydrophobicContact CE1-CD2 3.93Å; F100-L305 HydrophobicContact CG-CB 4.43Å; F100-L305 HydrophobicContact CG-CD2 3.68Å; W101-L305 HydrophobicContact CZ2-CD2 4.11Å; L299-L305 WeakPolarHBondContact CD2-O 3.34Å; S303-L305 VanDerWaalsContact C-N 3.26Å; S303-L305 VanDerWaalsContact OG-CB 3.3Å; S303-L305 WeakPolarHBondContact OG-CB 3.31Å; S303-L305 PolarHBondContact OG-N 3.33Å; S303-L305 PolarHBondContact OG-O 2.85Å
306E88.6Confident79Confident114 Ų11463.1 Ų63.153%0.53339%0.389SS..PPolyproline II helixtrans-93.1146.4167.7-63.9175.4151.400109.9F100 R103 V304 V308F100-E306 HydrophobicContact CD2-CB 4.28Å; F100-E306 VanDerWaalsContact CD2-N 3.35Å; F100-E306 HydrophobicContact CE2-CB 4.08Å; F100-E306 HydrophobicContact CE2-CG 4.32Å; R103-E306 IonicContact CZ-OE2 3.94Å; R103-E306 IonicContact NH1-OE2 3.14Å; R103-E306 PolarHBondContact NH1-OE2 3.47Å; R103-E306 IonicContact NH2-OE2 3.94Å; R103-E306 PolarHBondContact NH2-OE2 3.06Å; V304-E306 PolarHBondContact O-N 3.22Å; E306-V308 PolarHBondContact O-N 3.08Å
307P87.7Confident80.7Confident99 Ų9961.1 Ų61.164%0.64337%0.372SS*.PPolyproline II helixtrans-56.3135.2171.1-22.133.6000111.1L299L299-P307 HydrophobicContact CD1-CG 4.19Å; L299-P307 HydrophobicContact CD2-CG 3.95Å
308V90.6Very high82.4Confident21 Ų2160.6 Ų60.613%0.12735%0.354CS..PPolyproline II helixtrans-89124.1173.6-173.80000108.1A99 F100 R103 E306 D312 W313A99-V308 HydrophobicContact CB-CG2 4.15Å; F100-V308 HydrophobicContact CB-CG2 4.41Å; R103-V308 HydrophobicContact CB-CG1 4.28Å; R103-V308 HydrophobicContact CB-CG2 4.23Å; R103-V308 HydrophobicContact CG-CG1 4.31Å; E306-V308 PolarHBondContact O-N 3.08Å; V308-D312 HydrophobicContact CG1-CB 3.96Å; V308-W313 HydrophobicContact CG1-CB 4.03Å
309S92Very high84.3Confident57 Ų5757.6 Ų57.640%0.39932%0.322SS..PPolyproline II helixtrans-62.4146.6175.5710000110.1E311 D312 W313S309-E311 PolarHBondContact O-N 3.48Å; S309-D312 PolarHBondContact O-N 3.39Å; S309-D312 WeakPolarHBondContact OG-CB 3.49Å; S309-D312 VanDerWaalsContact OG-CG 3.27Å; S309-D312 PolarHBondContact OG-N 3.49Å; S309-D312 VanDerWaalsContact OG-N 3.16Å; S309-D312 PolarHBondContact OG-OD2 2.78Å; S309-W313 PolarHBondContact O-N 3.29Å
310Q89.9Confident86Confident108 Ų10853.5 Ų53.551%0.50530%0.3SS..Hα-helixtrans-55.3-38.8177.1-172.661.547.500111.3N294 D312 W313 D314N294-Q310 PolarHBondContact ND2-OE1 2.88Å; N294-Q310 VanDerWaalsContact ND2-OE1 3.16Å; Q310-D312 PolarHBondContact O-N 2.71Å; Q310-W313 PolarHBondContact O-N 2.69Å; Q310-D314 PolarHBondContact NE2-OD1 2.82Å; Q310-D314 PolarHBondContact O-N 3.13Å
311E91.5Very high87.4Confident118 Ų11853 Ų5355%0.55130%0.297SS*.Hα-helixtrans-60.2-38.8176.4-90.4-161.9-13600115R139 S309R139-E311 IonicContact CZ-OE2 2.96Å; R139-E311 IonicContact NH1-OE2 2.65Å; R139-E311 PolarHBondContact NH1-OE2 3.17Å; R139-E311 VanDerWaalsContact NH1-OE2 3.11Å; R139-E311 VanDerWaalsContact NH2-CB 3.33Å; R139-E311 PolarHBondContact NH2-O 3.23Å; R139-E311 VanDerWaalsContact NH2-O 3.17Å; R139-E311 IonicContact NH2-OE2 3.79Å; R139-E311 PolarHBondContact NH2-OE2 3.36Å; S309-E311 PolarHBondContact O-N 3.48Å
312D93.8Very high89Confident17 Ų1748.2 Ų48.29%0.09127%0.27CS..Hα-helixtrans-75.8-39.7174.2-75.1-28.3000110.6K107 W131 V308 S309 Q310 V315 C316K107-D312 IonicContact NZ-OD1 2.71Å; K107-D312 PolarHBondContact NZ-OD1 2.86Å; K107-D312 IonicContact NZ-OD2 2.72Å; K107-D312 PolarHBondContact NZ-OD2 2.72Å; W131-D312 HydrophobicContact CZ2-CB 4.21Å; W131-D312 WeakPolarHBondContact CZ2-OD1 3.34Å; V308-D312 HydrophobicContact CG1-CB 3.96Å; S309-D312 PolarHBondContact O-N 3.39Å; S309-D312 WeakPolarHBondContact OG-CB 3.49Å; S309-D312 VanDerWaalsContact OG-CG 3.27Å; S309-D312 PolarHBondContact OG-N 3.49Å; S309-D312 VanDerWaalsContact OG-N 3.16Å; S309-D312 PolarHBondContact OG-OD2 2.78Å; Q310-D312 PolarHBondContact O-N 2.71Å; D312-V315 PolarHBondContact O-N 3.24Å; D312-C316 PolarHBondContact O-N 2.93Å; D312-C316 PolarHBondContact O-SG 2.9Å
313W92.7Very high90.6Very high9 Ų945.1 Ų45.13%0.03424%0.238CC..Hα-helixtrans-65.6-37.8-179.7-176.6-117.3000112.6A99 V102 L290 L293 N294 V308 S309 Q310 V315 C316 S317 I320A99-W313 HydrophobicContact CB-CD2 4.22Å; A99-W313 HydrophobicContact CB-CE3 3.58Å; A99-W313 HydrophobicContact CB-CH2 3.99Å; A99-W313 HydrophobicContact CB-CZ3 3.47Å; A99-W313 VanDerWaalsContact CB-CZ3 3.47Å; V102-W313 HydrophobicContact CB-CZ3 4.38Å; V102-W313 HydrophobicContact CG1-CZ3 4.34Å; L290-W313 WeakPolarHBondContact O-CZ2 3.26Å; L293-W313 HydrophobicContact CB-CH2 3.8Å; L293-W313 HydrophobicContact CB-CZ2 3.65Å; L293-W313 HydrophobicContact CD1-CH2 4Å; L293-W313 HydrophobicContact CD1-CZ2 4.26Å; N294-W313 HydrophobicContact CB-CD2 4.39Å; N294-W313 HydrophobicContact CB-CG 4.18Å; V308-W313 HydrophobicContact CG1-CB 4.03Å; S309-W313 PolarHBondContact O-N 3.29Å; Q310-W313 PolarHBondContact O-N 2.69Å; W313-V315 PolarHBondContact O-N 3.43Å; W313-C316 HydrophobicContact CE3-CB 3.76Å; W313-C316 HydrophobicContact CZ3-CB 3.98Å; W313-C316 PolarHBondContact O-N 3.32Å; W313-S317 WeakPolarHBondContact O-CB 3.49Å; W313-S317 PolarHBondContact O-N 2.87Å; W313-S317 PolarHBondContact O-OG 3.38Å; W313-I320 HydrophobicContact CH2-CD1 4.05Å
314D90.7Very high91.4Very high66 Ų6643.8 Ų43.835%0.35323%0.229SC..Hα-helixtrans-58.8-37175.9-72.1-14.4000111.9Q310 S317 R318Q310-D314 PolarHBondContact NE2-OD1 2.82Å; Q310-D314 PolarHBondContact O-N 3.13Å; D314-S317 PolarHBondContact O-OG 3.25Å; D314-R318 WeakPolarHBondContact O-CB 3.39Å; D314-R318 PolarHBondContact O-N 3.32Å
315V92.8Very high91.9Very high1 Ų142.1 Ų42.11%0.00622%0.219CC..Hα-helixtrans-73.9-47.4175.71780000110.5W131 V135 L138 R139 D312 W313 Y319W131-V315 HydrophobicContact CH2-CB 3.7Å; W131-V315 HydrophobicContact CH2-CG1 3.49Å; W131-V315 VanDerWaalsContact CH2-CG1 3.49Å; W131-V315 HydrophobicContact CZ2-CB 4.02Å; W131-V315 HydrophobicContact CZ2-CG1 4.03Å; W131-V315 HydrophobicContact CZ2-CG2 4.45Å; W131-V315 HydrophobicContact CZ3-CG1 3.88Å; V135-V315 HydrophobicContact CG1-CG2 4.17Å; V135-V315 HydrophobicContact CG2-CG2 4.43Å; L138-V315 HydrophobicContact CB-CG1 3.98Å; L138-V315 HydrophobicContact CD1-CG1 3.69Å; L138-V315 HydrophobicContact CG-CG1 4.5Å; R139-V315 HydrophobicContact CG-CG2 3.85Å; D312-V315 PolarHBondContact O-N 3.24Å; W313-V315 PolarHBondContact O-N 3.43Å; V315-Y319 WeakPolarHBondContact O-CB 3.14Å; V315-Y319 PolarHBondContact O-N 2.9Å
316C94.6Very high92.4Very high0 Ų041.7 Ų41.70%022%0.217CC..Hα-helixtrans-60.4-54.1-179.3-69.40000111.9V102 L106 D312 W313 R318 Y319 I320V102-C316 HydrophobicContact CG1-CB 3.89Å; L106-C316 HydrophobicContact CD1-CB 4.08Å; D312-C316 PolarHBondContact O-N 2.93Å; D312-C316 PolarHBondContact O-SG 2.9Å; W313-C316 HydrophobicContact CE3-CB 3.76Å; W313-C316 HydrophobicContact CZ3-CB 3.98Å; W313-C316 PolarHBondContact O-N 3.32Å; C316-R318 VanDerWaalsContact C-N 3.34Å; C316-R318 PolarHBondContact O-N 3.48Å; C316-Y319 WeakPolarHBondContact O-CB 3.47Å; C316-Y319 PolarHBondContact O-N 3.44Å; C316-Y319 VanDerWaalsContact O-N 3.12Å; C316-I320 WeakPolarHBondContact O-CG1 3.35Å; C316-I320 PolarHBondContact O-N 3.38Å
317S91.3Very high92.9Very high14 Ų1436.3 Ų36.310%0.09819%0.192CC..Hα-helixtrans-56.5-46.9-179.860.80000111.1W313 D314 Y319 I320 Q321W313-S317 WeakPolarHBondContact O-CB 3.49Å; W313-S317 PolarHBondContact O-N 2.87Å; W313-S317 PolarHBondContact O-OG 3.38Å; D314-S317 PolarHBondContact O-OG 3.25Å; S317-Y319 VanDerWaalsContact C-N 3.34Å; S317-Y319 PolarHBondContact O-N 3.42Å; S317-I320 WeakPolarHBondContact O-CG1 3.13Å; S317-I320 PolarHBondContact O-N 3.14Å; S317-Q321 VanDerWaalsContact O-CG 3.26Å; S317-Q321 WeakPolarHBondContact O-CG 3.49Å; S317-Q321 PolarHBondContact O-N 3.14Å
318R89.8Confident93.4Very high93 Ų9332.1 Ų32.135%0.35116%0.164SC..Hα-helixtrans-61.7-39.5176.2-173.2174.5-62.7165.88.3113.1L138 R139 D314 C316L138-R318 WeakPolarHBondContact O-CD 3.3Å; L138-R318 PolarHBondContact O-NH1 3.09Å; R139-R318 PolarHBondContact O-NH1 2.83Å; D314-R318 WeakPolarHBondContact O-CB 3.39Å; D314-R318 PolarHBondContact O-N 3.32Å; C316-R318 VanDerWaalsContact C-N 3.34Å; C316-R318 PolarHBondContact O-N 3.48Å
319Y93.3Very high93.8Very high6 Ų631.1 Ų31.12%0.02416%0.158CC..Hα-helixtrans-61.6-51.2175.3-173.7-89.3000110.9L106 L152 V315 C316 S317 Q321 S322 S323 V325L106-Y319 HydrophobicContact CD1-CD1 3.84Å; L106-Y319 HydrophobicContact CD1-CG 4.1Å; L106-Y319 HydrophobicContact CD2-CD1 3.53Å; L106-Y319 HydrophobicContact CD2-CE1 3.51Å; L106-Y319 HydrophobicContact CD2-CG 4.17Å; L106-Y319 HydrophobicContact CG-CD1 4.37Å; L152-Y319 HydrophobicContact CB-CE2 4.39Å; L152-Y319 HydrophobicContact CD2-CD2 3.86Å; L152-Y319 HydrophobicContact CD2-CE2 4.14Å; L152-Y319 HydrophobicContact CD2-CG 4.36Å; L152-Y319 HydrophobicContact CG-CD2 3.96Å; L152-Y319 HydrophobicContact CG-CE2 3.71Å; L152-Y319 VanDerWaalsContact O-CE2 3.3Å; L152-Y319 WeakPolarHBondContact O-CE2 3.48Å; L152-Y319 PolarHBondContact O-OH 3.29Å; V315-Y319 WeakPolarHBondContact O-CB 3.14Å; V315-Y319 PolarHBondContact O-N 2.9Å; C316-Y319 WeakPolarHBondContact O-CB 3.47Å; C316-Y319 PolarHBondContact O-N 3.44Å; C316-Y319 VanDerWaalsContact O-N 3.12Å; S317-Y319 VanDerWaalsContact C-N 3.34Å; S317-Y319 PolarHBondContact O-N 3.42Å; Y319-Q321 VanDerWaalsContact C-N 3.3Å; Y319-Q321 PolarHBondContact O-N 2.86Å; Y319-S322 PolarHBondContact O-N 3.38Å; Y319-S323 VanDerWaalsContact C-OG 3.27Å; Y319-S323 WeakPolarHBondContact CD1-OG 3.27Å; Y319-S323 WeakPolarHBondContact CE1-OG 3.43Å; Y319-S323 WeakPolarHBondContact O-CB 3.33Å; Y319-S323 PolarHBondContact O-N 2.76Å; Y319-S323 PolarHBondContact O-OG 3.15Å; Y319-V325 HydrophobicContact CE1-CG2 4.33Å
320I92.9Very high94.1Very high0 Ų028.6 Ų28.60%014%0.14CC..Hα-helixtrans-76.7-10.2-176.367.9172.1000114.2V102 L106 Q237 L290 L293 W313 C316 S317 S322 S323V102-I320 HydrophobicContact CG1-CD1 4.2Å; V102-I320 HydrophobicContact CG1-CG2 3.85Å; V102-I320 HydrophobicContact CG2-CD1 4.26Å; L106-I320 HydrophobicContact CD1-CG2 4.36Å; Q237-I320 PolarHBondContact NE2-O 2.61Å; Q237-I320 VanDerWaalsContact NE2-O 3.12Å; L290-I320 HydrophobicContact CD2-CD1 3.88Å; L290-I320 HydrophobicContact CD2-CG1 4.2Å; L293-I320 HydrophobicContact CD1-CD1 4.43Å; W313-I320 HydrophobicContact CH2-CD1 4.05Å; C316-I320 WeakPolarHBondContact O-CG1 3.35Å; C316-I320 PolarHBondContact O-N 3.38Å; S317-I320 WeakPolarHBondContact O-CG1 3.13Å; S317-I320 PolarHBondContact O-N 3.14Å; I320-S322 PolarHBondContact O-N 2.92Å; I320-S323 WeakPolarHBondContact CA-OG 3.28Å
321Q89.4Confident94.5Very high90 Ų9024 Ų2442%0.42112%0.119SC..THydrogen-bonded Turntrans-59.9-25.2169.2-83.7170.14.200113Q237 L290 S317 Y319Q237-Q321 VanDerWaalsContact NE2-C 3.33Å; Q237-Q321 PolarHBondContact NE2-O 2.95Å; L290-Q321 HydrophobicContact CD1-CG 3.31Å; S317-Q321 VanDerWaalsContact O-CG 3.26Å; S317-Q321 WeakPolarHBondContact O-CG 3.49Å; S317-Q321 PolarHBondContact O-N 3.14Å; Y319-Q321 VanDerWaalsContact C-N 3.3Å; Y319-Q321 PolarHBondContact O-N 2.86Å
322S89.5Confident94.8Very high53 Ų5318.4 Ų18.437%0.3719%0.092SC..SBendtrans-131.112-179.467.50000114S211 Y319 I320S211-S322 PolarHBondContact N-O 3.05Å; Y319-S322 PolarHBondContact O-N 3.38Å; I320-S322 PolarHBondContact O-N 2.92Å
323S95.2Very high94.9Very high0 Ų018.4 Ų18.40%09%0.092CC..EExtended strand (participates in β ladder)trans-142.9165-176.6700000112Y209 Q237 Y319 I320Y209-S323 CarbonylContact O-C 3.49Å; Y209-S323 WeakPolarHBondContact O-CA 3.09Å; Y209-S323 WeakPolarHBondContact O-CB 3.19Å; Q237-S323 WeakPolarHBondContact CB-O 3.27Å; Q237-S323 WeakPolarHBondContact CG-O 3.33Å; Q237-S323 PolarHBondContact N-O 2.85Å; Y319-S323 VanDerWaalsContact C-OG 3.27Å; Y319-S323 WeakPolarHBondContact CD1-OG 3.27Å; Y319-S323 WeakPolarHBondContact CE1-OG 3.43Å; Y319-S323 WeakPolarHBondContact O-CB 3.33Å; Y319-S323 PolarHBondContact O-N 2.76Å; Y319-S323 PolarHBondContact O-OG 3.15Å; I320-S323 WeakPolarHBondContact CA-OG 3.28Å
324R97.8Very high94.9Very high1 Ų118.3 Ų18.30%0.0049%0.094CC..EExtended strand (participates in β ladder)trans-124.2139172.8174.1-175.7170.9-106.8-0.9108.6Y209 S234 F235 Q237 S239 I279 N326Y209-R324 HydrophobicContact CD2-CB 4.49Å; Y209-R324 HydrophobicContact CD2-CG 4.39Å; Y209-R324 VanDerWaalsContact CE2-NH1 3.25Å; Y209-R324 PolarHBondContact N-O 3.35Å; Y209-R324 PolarHBondContact O-N 3.49Å; S234-R324 PolarHBondContact OG-NE 2.89Å; F235-R324 CarbonylContact O-C 3.53Å; F235-R324 WeakPolarHBondContact O-CA 3.46Å; Q237-R324 HydrophobicContact CB-CB 4.44Å; Q237-R324 WeakPolarHBondContact O-CB 3.26Å; Q237-R324 WeakPolarHBondContact O-CD 3.36Å; Q237-R324 WeakPolarHBondContact O-CG 3.37Å; S239-R324 PolarHBondContact OG-NE 3.48Å; I279-R324 HydrophobicContact CD1-CB 4.2Å; I279-R324 HydrophobicContact CG2-CB 4.3Å; R324-N326 PolarHBondContact NH2-OD1 3.22Å
325V98.4Very high94.8Very high0 Ų020.6 Ų20.60%012%0.115CC..EExtended strand (participates in β ladder)trans-111.8137.1169.5-176.40000108.4C105 L106 N207 Y208 F235 Y319C105-V325 HydrophobicContact CB-CG1 3.77Å; L106-V325 HydrophobicContact CD2-CG2 4.12Å; N207-V325 WeakPolarHBondContact O-CA 3.42Å; Y208-V325 HydrophobicContact CD1-CG1 4.32Å; Y208-V325 HydrophobicContact CD1-CG2 4Å; Y208-V325 HydrophobicContact CE1-CG1 4.14Å; Y208-V325 HydrophobicContact CE1-CG2 4.34Å; F235-V325 PolarHBondContact N-O 2.94Å; F235-V325 PolarHBondContact O-N 3.5Å; Y319-V325 HydrophobicContact CE1-CG2 4.33Å
326N98.8Very high94.6Very high9 Ų924.6 Ų24.65%0.04816%0.157CC..EExtended strand (participates in β ladder)trans-123.8132.1174.8-171.5161.3000108.7L206 N207 Y209 S232 L233 R324L206-N326 CarbonylContact C-O 3.59Å; L206-N326 VanDerWaalsContact CA-O 3.23Å; L206-N326 WeakPolarHBondContact CA-O 3.32Å; N207-N326 HydrophobicContact CB-CB 4.36Å; N207-N326 PolarHBondContact N-O 3.09Å; N207-N326 PolarHBondContact O-N 2.91Å; Y209-N326 HydrophobicContact CE2-CB 3.82Å; S232-N326 PolarHBondContact OG-ND2 2.97Å; L233-N326 CarbonylContact O-C 3.57Å; L233-N326 WeakPolarHBondContact O-CA 3.47Å; L233-N326 PolarHBondContact O-ND2 3.35Å; R324-N326 PolarHBondContact NH2-OD1 3.22Å
327M98.8Very high94.6Very high0 Ų029 Ų290%018%0.178CC..EExtended strand (participates in β ladder)trans-105.7126.5165.3-47.8-165.5-94.400109.5W101 C105 Y109 L183 L206 S232 L233 F235W101-M327 HydrophobicContact CB-CE 4.28Å; W101-M327 HydrophobicContact CE3-CE 4.35Å; C105-M327 PolarHBondContact SG-SD 3.39Å; Y109-M327 HydrophobicContact CE2-SD 4.26Å; L183-M327 HydrophobicContact CD1-CE 4.01Å; L183-M327 HydrophobicContact CD1-SD 3.85Å; L183-M327 HydrophobicContact CD2-SD 4.21Å; L206-M327 HydrophobicContact CD1-CB 4.36Å; L206-M327 HydrophobicContact CD1-CG 4.34Å; L206-M327 HydrophobicContact CD2-CG 4.27Å; L206-M327 HydrophobicContact CD2-SD 4.43Å; L206-M327 HydrophobicContact CG-CB 4.31Å; L206-M327 HydrophobicContact CG-CG 3.92Å; S232-M327 CarbonylContact C-O 3.56Å; S232-M327 WeakPolarHBondContact CA-O 3.43Å; L233-M327 HydrophobicContact CB-CB 4.27Å; L233-M327 HydrophobicContact CB-CE 4.38Å; L233-M327 HydrophobicContact CD1-CB 4.38Å; L233-M327 HydrophobicContact CD1-CE 3.72Å; L233-M327 PolarHBondContact N-O 3.49Å; L233-M327 PolarHBondContact O-N 2.8Å; F235-M327 HydrophobicContact CD2-CE 4.37Å; F235-M327 HydrophobicContact CE2-CE 3.44Å; F235-M327 VanDerWaalsContact CE2-CE 3.44Å; F235-M327 HydrophobicContact CZ-CE 4.09Å
328T98.8Very high94.7Very high11 Ų1132.9 Ų32.97%0.06720%0.204CC..EExtended strand (participates in β ladder)trans-115.3114.2172.9-58.50000109.8A204 I205 L230 L231A204-T328 CarbonylContact C-O 3.51Å; A204-T328 WeakPolarHBondContact CA-O 3.36Å; A204-T328 WeakPolarHBondContact CB-O 3.41Å; I205-T328 PolarHBondContact N-O 3.39Å; I205-T328 PolarHBondContact O-N 3.28Å; L230-T328 HydrophobicContact CD1-CG2 3.88Å; L230-T328 HydrophobicContact CD2-CG2 3.55Å; L230-T328 HydrophobicContact CG-CG2 3.65Å; L231-T328 CarbonylContact O-C 3.6Å; L231-T328 VanDerWaalsContact O-CA 3.22Å; L231-T328 WeakPolarHBondContact O-CA 3.36Å
329V98.9Very high94.8Very high0 Ų029.8 Ų29.80%019%0.194CC..EExtended strand (participates in β ladder)trans-107.4139.5-177-1720000110.3F179 L183 F199 S201 A204 L231F179-V329 HydrophobicContact CE2-CG1 4.35Å; F179-V329 HydrophobicContact CZ-CG1 3.81Å; F179-V329 HydrophobicContact CZ-CG2 4.43Å; L183-V329 HydrophobicContact CD1-CG2 4.15Å; L183-V329 HydrophobicContact CD2-CG2 4.13Å; L183-V329 HydrophobicContact CG-CG2 4.15Å; F199-V329 HydrophobicContact CE1-CG1 4.07Å; F199-V329 HydrophobicContact CZ-CG1 4.36Å; S201-V329 WeakPolarHBondContact OG-CG1 3.33Å; A204-V329 HydrophobicContact CB-CG2 4.06Å; L231-V329 HydrophobicContact CB-CB 4.39Å; L231-V329 PolarHBondContact N-O 3.45Å; L231-V329 PolarHBondContact O-N 3.41Å
330R98.3Very high94.5Very high5 Ų534.4 Ų34.42%0.01922%0.224CC..EExtended strand (participates in β ladder)trans-144.1148.6-173.463.2-162.459.3-154.911.8110.7Y171 E202 A203 E223 V332Y171-R330 WeakPolarHBondContact OH-CD 3.34Å; Y171-R330 VanDerWaalsContact OH-CZ 3.26Å; Y171-R330 PolarHBondContact OH-NE 3.4Å; Y171-R330 PolarHBondContact OH-NH1 3.1Å; E202-R330 PolarHBondContact N-O 2.88Å; E202-R330 VanDerWaalsContact N-O 3.1Å; A203-R330 HydrophobicContact CB-CG 3.69Å; A203-R330 PolarHBondContact N-O 2.82Å; A203-R330 VanDerWaalsContact N-O 3.1Å; A203-R330 WeakPolarHBondContact O-CG 3.35Å; A203-R330 PolarHBondContact O-N 2.84Å; E223-R330 HydrophobicContact CG-CB 4.18Å; E223-R330 HydrophobicContact CG-CG 4.22Å; E223-R330 WeakPolarHBondContact OE1-CD 3.18Å; E223-R330 IonicContact OE1-CZ 3.82Å; E223-R330 VanDerWaalsContact OE1-CZ 3.26Å; E223-R330 IonicContact OE1-NE 3.79Å; E223-R330 PolarHBondContact OE1-NE 2.96Å; E223-R330 IonicContact OE1-NH1 4Å; E223-R330 PolarHBondContact OE1-NH1 2.88Å; R330-V332 HydrophobicContact CG-CG2 4.3Å
331Q98.4Very high93.9Very high11 Ų1144.2 Ų44.25%0.05127%0.267CS..  trans-91.6129161.8-174.5170.7-27.700107.6F199 N200 E202 R228 L333F199-Q331 HydrophobicContact CD2-CB 4.19Å; F199-Q331 HydrophobicContact CE2-CB 3.77Å; F199-Q331 HydrophobicContact CZ-CB 4.39Å; N200-Q331 HydrophobicContact CB-CG 4.37Å; N200-Q331 WeakPolarHBondContact O-CA 3.4Å; N200-Q331 VanDerWaalsContact O-CB 3.25Å; N200-Q331 WeakPolarHBondContact O-CB 3.44Å; N200-Q331 WeakPolarHBondContact O-CG 3.42Å; E202-Q331 HydrophobicContact CG-CG 4.5Å; R228-Q331 HydrophobicContact CB-CB 3.94Å; R228-Q331 HydrophobicContact CG-CB 4.08Å; R228-Q331 HydrophobicContact CG-CG 4.2Å; Q331-L333 WeakPolarHBondContact CG-O 3.31Å; Q331-L333 PolarHBondContact NE2-O 3.05Å
332V96.7Very high93Very high0 Ų045.7 Ų45.70%027%0.274CS..  trans-94.5-40.9-173.8179.40000110.8Y162 Y171 E202 A203 L224 D225 R330 F339Y162-V332 HydrophobicContact CD2-CB 4.23Å; Y162-V332 HydrophobicContact CD2-CG2 4.18Å; Y171-V332 HydrophobicContact CD1-CG2 4.37Å; Y171-V332 HydrophobicContact CD2-CG1 3.82Å; Y171-V332 HydrophobicContact CD2-CG2 4.17Å; Y171-V332 HydrophobicContact CE1-CG2 4.5Å; Y171-V332 HydrophobicContact CE2-CG2 4.31Å; Y171-V332 HydrophobicContact CG-CG1 3.89Å; Y171-V332 HydrophobicContact CG-CG2 4.21Å; E202-V332 HydrophobicContact CB-CB 4.4Å; E202-V332 HydrophobicContact CB-CG2 4.22Å; E202-V332 WeakPolarHBondContact OE2-CA 3.1Å; E202-V332 PolarHBondContact OE2-N 2.88Å; A203-V332 HydrophobicContact CB-CG2 3.58Å; L224-V332 WeakPolarHBondContact CB-O 3.44Å; L224-V332 PolarHBondContact N-O 2.91Å; D225-V332 PolarHBondContact N-O 2.88Å; R330-V332 HydrophobicContact CG-CG2 4.3Å; V332-F339 HydrophobicContact CG1-CE1 4.02Å; V332-F339 HydrophobicContact CG1-CZ 3.78Å
333L95.8Very high91.2Very high17 Ų1748.9 Ų48.99%0.08929%0.293CS..SBendtrans-105.1136.1-175.8-59.7175.9000110.9Y162 E202 L224 Q331 Q337 F339Y162-L333 HydrophobicContact CE2-CD1 4.36Å; E202-L333 PolarHBondContact OE2-N 3.45Å; L224-L333 HydrophobicContact CD1-CD2 3.7Å; L224-L333 HydrophobicContact CG-CD2 4.44Å; Q331-L333 WeakPolarHBondContact CG-O 3.31Å; Q331-L333 PolarHBondContact NE2-O 3.05Å; L333-Q337 HydrophobicContact CB-CB 4.47Å; L333-F339 HydrophobicContact CD1-CD2 4.22Å; L333-F339 HydrophobicContact CD1-CE2 3.95Å; L333-F339 HydrophobicContact CD2-CD1 4.37Å; L333-F339 HydrophobicContact CD2-CD2 4.14Å; L333-F339 HydrophobicContact CD2-CE1 4.22Å; L333-F339 HydrophobicContact CD2-CE2 4.01Å; L333-F339 HydrophobicContact CD2-CG 4.34Å; L333-F339 HydrophobicContact CD2-CZ 4.05Å; L333-F339 HydrophobicContact CG-CE2 4.2Å; L333-F339 HydrophobicContact CG-CZ 4.4Å
334G92.2Very high88.7Confident7 Ų757.5 Ų57.57%0.07234%0.336CS..  trans-71.1165.6167.800000112.1D225 G336 Q337D225-G334 VanDerWaalsContact OD2-CA 3.27Å; D225-G334 WeakPolarHBondContact OD2-CA 3.38Å; G334-G336 PolarHBondContact O-N 2.69Å; G334-G336 VanDerWaalsContact O-N 3.14Å; G334-Q337 WeakPolarHBondContact O-CB 3.5Å; G334-Q337 PolarHBondContact O-N 3.37Å
335S89.3Confident86.1Confident115 Ų11562.4 Ų62.480%0.80437%0.37SS*.THydrogen-bonded Turntrans-56.6120.7178.7-175.30000111.2Q337S335-Q337 PolarHBondContact O-N 3.37Å
336G89.7Confident83.2Confident85 Ų8566.8 Ų66.888%0.87641%0.406SS*.THydrogen-bonded Turntrans75.62.4-178.100000115.2G334G334-G336 PolarHBondContact O-N 2.69Å; G334-G336 VanDerWaalsContact O-N 3.14Å
337Q93.3Very high80.2Confident93 Ų9373.6 Ų73.644%0.43544%0.442SS..  trans-79155.7173.4-65.4-174.6-14.500111.4L333 G334 S335L333-Q337 HydrophobicContact CB-CB 4.47Å; G334-Q337 WeakPolarHBondContact O-CB 3.5Å; G334-Q337 PolarHBondContact O-N 3.37Å; S335-Q337 PolarHBondContact O-N 3.37Å
338S92.9Very high77.3Confident94 Ų9482.7 Ų82.766%0.65748%0.484SS*.  trans-137.6159.6169.956.90000109.2
339F93.5Very high74.1Confident29 Ų2988.4 Ų88.413%0.12752%0.519CS..PPolyproline II helixtrans-59.1139.4174.4-73-77.1000110.6Y162 Y171 A173 L224 V332 L333 K341Y162-F339 AromaticContact CD1-CE2 3.78Å; Y162-F339 HydrophobicContact CD1-CE2 3.78Å; Y162-F339 HydrophobicContact CD1-CZ 4.04Å; Y162-F339 HydrophobicContact CD2-CE2 4.17Å; Y162-F339 HydrophobicContact CD2-CZ 4.12Å; Y162-F339 HydrophobicContact CE1-CD2 4.49Å; Y162-F339 AromaticContact CE1-CE2 3.57Å; Y162-F339 HydrophobicContact CE1-CE2 3.57Å; Y162-F339 HydrophobicContact CE1-CZ 4.27Å; Y162-F339 AromaticContact CE2-CE2 3.95Å; Y162-F339 HydrophobicContact CE2-CE2 3.95Å; Y162-F339 HydrophobicContact CE2-CZ 4.31Å; Y162-F339 HydrophobicContact CG-CE2 4.11Å; Y162-F339 AromaticContact CG-CZ 3.99Å; Y162-F339 HydrophobicContact CG-CZ 3.99Å; Y162-F339 AromaticContact CZ-CE2 3.66Å; Y171-F339 WeakPolarHBondContact O-CE1 3.49Å; A173-F339 HydrophobicContact CB-CB 4.25Å; A173-F339 HydrophobicContact CB-CD2 3.68Å; A173-F339 HydrophobicContact CB-CE2 4.4Å; A173-F339 HydrophobicContact CB-CG 4.19Å; L224-F339 HydrophobicContact CD1-CD1 4.35Å; V332-F339 HydrophobicContact CG1-CE1 4.02Å; V332-F339 HydrophobicContact CG1-CZ 3.78Å; L333-F339 HydrophobicContact CD1-CD2 4.22Å; L333-F339 HydrophobicContact CD1-CE2 3.95Å; L333-F339 HydrophobicContact CD2-CD1 4.37Å; L333-F339 HydrophobicContact CD2-CD2 4.14Å; L333-F339 HydrophobicContact CD2-CE1 4.22Å; L333-F339 HydrophobicContact CD2-CE2 4.01Å; L333-F339 HydrophobicContact CD2-CG 4.34Å; L333-F339 HydrophobicContact CD2-CZ 4.05Å; L333-F339 HydrophobicContact CG-CE2 4.2Å; L333-F339 HydrophobicContact CG-CZ 4.4Å; F339-K341 PolarHBondContact O-N 2.87Å
340P86.8Confident71Confident103 Ų10391.9 Ų91.967%0.66956%0.555SS**PPolyproline II helixtrans-52.7136.4173.3-24.433.1000110.5E342P340-E342 PolarHBondContact O-N 2.68Å
341K80.1Confident67.8Low205 Ų20599.1 Ų99.189%0.89160%0.595SS**PPolyproline II helixtrans-62.4126.8169.9-67.1-177-179.6179.80107.3F339F339-K341 PolarHBondContact O-N 2.87Å
342E70.3Confident64.7Low121 Ų121107.8 Ų107.857%0.56564%0.635SS**PPolyproline II helixtrans-53.3135.2169.2-75.5173.8-162.800108.1K174 P340 M344K174-E342 IonicContact NZ-OE1 2.68Å; K174-E342 PolarHBondContact NZ-OE1 3.09Å; K174-E342 IonicContact NZ-OE2 3.76Å; K174-E342 PolarHBondContact NZ-OE2 3.18Å; P340-E342 PolarHBondContact O-N 2.68Å; E342-M344 PolarHBondContact O-N 3.28Å; E342-M344 VanDerWaalsContact O-N 3.09Å
343P50.7Low61.4Low121 Ų121110.4 Ų110.479%0.78666%0.662SS**PPolyproline II helixtrans-56.9124.2171.522.8-29.4000106.9S345P343-S345 VanDerWaalsContact C-N 3.3Å; P343-S345 PolarHBondContact O-N 3.03Å
344M43.2Very low58.1Low180 Ų180121.6 Ų121.689%0.88770%0.703SS**  trans-57104.4166.5-72.5-160.5-64.200105.4E342 A346E342-M344 PolarHBondContact O-N 3.28Å; E342-M344 VanDerWaalsContact O-N 3.09Å; M344-A346 PolarHBondContact O-N 2.81Å
345S42.8Very low54.9Low104 Ų104130.2 Ų130.273%0.72774%0.744SS**  trans-50.8120.7167.254.70000105.6P343 L347P343-S345 VanDerWaalsContact C-N 3.3Å; P343-S345 PolarHBondContact O-N 3.03Å; S345-L347 PolarHBondContact O-N 2.97Å
346A37.1Very low52.1Low92 Ų92131.1 Ų131.176%0.7674%0.744SS**  trans-42.7117.3177.300000107.8M344 Q348M344-A346 PolarHBondContact O-N 2.81Å; A346-Q348 PolarHBondContact O-N 2.81Å
347L36.3Very low49Very low153 Ų153129.9 Ų129.980%0.80173%0.732SS**  trans-47.5118.2158.7-93.884.5000104.5S345 T349S345-L347 PolarHBondContact O-N 2.97Å; L347-T349 PolarHBondContact O-N 2.99Å
348Q37.4Very low45.8Very low190 Ų190131.6 Ų131.689%0.88875%0.752SS**  trans-53.7103.5159.1-76.3176.9-12.500104.7A346 G350A346-Q348 PolarHBondContact O-N 2.81Å; Q348-G350 PolarHBondContact O-N 2.96Å
349T33.1Very low42.7Very low131 Ų131135.6 Ų135.680%0.80476%0.76SS**  trans-53.1110.1166.138.70000105.5L347 D351L347-T349 PolarHBondContact O-N 2.99Å; T349-D351 PolarHBondContact O-N 3.19Å; T349-D351 VanDerWaalsContact O-N 3.08Å
350G32.6Very low39.5Very low73 Ų73140.8 Ų140.875%0.75379%0.79SS**  trans-57.4112.6165.700000106.9Q348 E352Q348-G350 PolarHBondContact O-N 2.96Å; G350-E352 PolarHBondContact O-N 3.08Å
351D31.6Very low36.7Very low158 Ų158143.3 Ų143.385%0.84580%0.797SS**  trans-80.693.7169.2-150.211.1000106.1T349 G353T349-D351 PolarHBondContact O-N 3.19Å; T349-D351 VanDerWaalsContact O-N 3.08Å; D351-G353 PolarHBondContact O-N 3.47Å
352E33Very low34Very low192 Ų192136.8 Ų136.890%0.89779%0.789SS**  trans-72.3115.2161-78.8-167.6148.200108.2G350G350-E352 PolarHBondContact O-N 3.08Å
353G27.8Very low32Very low55 Ų55138.5 Ų138.557%0.56780%0.802SS**  trans147.6102.1162.400000111.2D351D351-G353 PolarHBondContact O-N 3.47Å
354W26.4Very low30.9Very low252 Ų252137.7 Ų137.796%0.95580%0.799SS**  -172.2112.3112.2-97.644.3000106.9
355M24.9Very low30.2Very low188 Ų188132.7 Ų132.793%0.92679%0.794SS**  trans-82.4115.2177.2-174.3-169.5-82.900108.2
356V30.8Very low29.7Very low134 Ų134137.7 Ų137.781%0.81280%0.802SS**  trans-141.7109153.3-176.90000107.4
357G24Very low29.3Very low60 Ų60145.2 Ų145.262%0.61981%0.811SS**  trans-86.3149.6169.500000111.3
358C27Very low29Very low128 Ų128147.3 Ų147.387%0.86581%0.814SS**  trans-170.9122.6142.7-101.10000110.5
359H26.8Very low28.5Very low178 Ų178150.3 Ų150.382%0.82482%0.817SS**  trans26126.8153.4-68.5-37.4000124.2
360D26Very low28.2Very low139 Ų139150.4 Ų150.474%0.74382%0.817SS**  51.6114.4116.9-136.222.3000119.1
361D28.2Very low27.9Very low155 Ų155153 Ų15383%0.82982%0.823SS**  176.2148.8106.4-114.5-37.5000112.3
362G24.2Very low27.7Very low69 Ų69150.9 Ų150.971%0.71182%0.82SS**  trans-71.7171-169.600000116.9
363N27.5Very low27.6Very low157 Ų157149.3 Ų149.384%0.8482%0.818SS**  163.2146.3122.6-163.112.3000111.6
364S29.1Very low28Very low104 Ų104152.7 Ų152.773%0.72783%0.83SS**  trans-32.9153.6174.859.90000120.1
365G27.8Very low28.3Very low75 Ų75147.4 Ų147.477%0.77383%0.825SS**  trans173.783160.600000115.6
366K31.1Very low28.5Very low209 Ų209141.8 Ų141.891%0.90982%0.816SS**  trans-57.3136.1161.3-77176175.7172.20110
367R29.4Very low28.4Very low249 Ų249141.8 Ų141.894%0.9482%0.816SS**  trans-157.6116.7147.2-113.5166-178-176.20.4113.2
368K29.7Very low28.6Very low198 Ų198145.5 Ų145.586%0.86183%0.826SS**  trans-48.5145.6158.5-78.4174.2169177.80110.7
369R28.4Very low28.8Very low252 Ų252148.5 Ų148.595%0.95183%0.828SS**  trans-142.3133.9146.5-105.7176.7-179.1175.3-1.1111.3
370T26Very low29.4Very low133 Ų133150 Ų15082%0.81685%0.85SS**  trans-86.5163.5-171.434.50000113.1
371C25.8Very low29.6Very low129 Ų129150.6 Ų150.687%0.87286%0.855SS**  trans-46149.1172.5-64.90000116.1
372S28.3Very low29.7Very low113 Ų113150.4 Ų150.479%0.7986%0.857SS**  trans-159.7117.7140.755.70000109.6
373D31.4Very low30Very low158 Ų158154.9 Ų154.985%0.84587%0.865SS**  trans-62163.5164.1-69.2-46000111.3
374P35.5Very low30.1Very low127 Ų127154.8 Ų154.883%0.82587%0.866SS**  -135.9152.112333.7-19.8000115.1
375V33.4Very low30.2Very low140 Ų140157.9 Ų157.985%0.84888%0.875SS**  trans-56.5139.6176173.40000113.1
376G28.5Very low30.3Very low71 Ų71163.5 Ų163.573%0.73288%0.882SS**  trans-148.1107166.200000111
377T29.6Very low30.3Very low133 Ų133160.2 Ų160.282%0.81688%0.88SS**  trans-63.7136.6178340000113.4
378V26.6Very low30.3Very low138 Ų138153.4 Ų153.484%0.83688%0.875SS**  trans-121.6116.7167.6177.70000108.1
379E32.2Very low30.4Very low191 Ų191149.7 Ų149.789%0.89388%0.877SS**  trans-83.1147.9173.4-74.8-177150.600111.5
380T39.1Very low30.6Very low211 Ų211140.4 Ų140.4100%1.29487%0.87SS**  trans-88.60-165.848.50000115.6

Retrieved 380 of 380 residues in 442.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).