G4VRJ3_SCHMA Loading...

protein-histidine N-methyltransferase

AlphaFold DB , UniProt , Accession G4VRJ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 284 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
1M41.7Very low45.4Very low243 Ų243123.4 Ų123.4100%1.19763%0.634SS**  0112.60-174-177.1-70.200105.6
2F49.8Very low44.6Very low87 Ų87124.2 Ų124.238%0.38264%0.641SS.*  trans-69.6140.7178.8-178.1-79.8000109.7F4 D86 W99F2-F4 HydrophobicContact CD1-CD1 4.41Å; F2-F4 HydrophobicContact CD1-CD2 4.35Å; F2-F4 HydrophobicContact CD1-CE1 4.37Å; F2-F4 HydrophobicContact CD1-CE2 4.3Å; F2-F4 HydrophobicContact CD1-CG 4.39Å; F2-F4 HydrophobicContact CD1-CZ 4.29Å; F2-F4 AromaticContact CE1-CD1 3.55Å; F2-F4 HydrophobicContact CE1-CD1 3.55Å; F2-F4 HydrophobicContact CE1-CD2 4.25Å; F2-F4 AromaticContact CE1-CE1 3.61Å; F2-F4 HydrophobicContact CE1-CE1 3.61Å; F2-F4 HydrophobicContact CE1-CE2 4.29Å; F2-F4 AromaticContact CE1-CG 3.88Å; F2-F4 HydrophobicContact CE1-CG 3.88Å; F2-F4 AromaticContact CE1-CZ 3.98Å; F2-F4 HydrophobicContact CE1-CZ 3.98Å; F2-F4 HydrophobicContact CZ-CD1 4.39Å; F2-F4 HydrophobicContact CZ-CE1 4.37Å; F2-D86 HydrophobicContact CE2-CB 3.77Å; F2-D86 HydrophobicContact CZ-CB 3.98Å; F2-W99 HydrophobicContact CB-CH2 4.28Å; F2-W99 HydrophobicContact CB-CZ3 4.35Å; F2-W99 AromaticContact CD1-CH2 3.47Å; F2-W99 HydrophobicContact CD1-CH2 3.47Å; F2-W99 VanDerWaalsContact CD1-CH2 3.47Å; F2-W99 HydrophobicContact CD1-CZ2 4.48Å; F2-W99 HydrophobicContact CD1-CZ3 4.16Å; F2-W99 AromaticContact CD2-CH2 3.82Å; F2-W99 HydrophobicContact CD2-CH2 3.82Å; F2-W99 HydrophobicContact CD2-CZ2 4.44Å; F2-W99 AromaticContact CE1-CH2 3.57Å; F2-W99 HydrophobicContact CE1-CH2 3.57Å; F2-W99 HydrophobicContact CE1-CZ2 4.2Å; F2-W99 AromaticContact CE2-CH2 3.9Å; F2-W99 HydrophobicContact CE2-CH2 3.9Å; F2-W99 HydrophobicContact CE2-CZ2 4.15Å; F2-W99 AromaticContact CG-CH2 3.59Å; F2-W99 HydrophobicContact CG-CH2 3.59Å; F2-W99 HydrophobicContact CG-CZ3 4.15Å; F2-W99 AromaticContact CZ-CH2 3.77Å; F2-W99 HydrophobicContact CZ-CH2 3.77Å; F2-W99 HydrophobicContact CZ-CZ2 4.01Å
3E50.3Low44Very low144 Ų144131.2 Ų131.267%0.67366%0.663SS**  trans-124.3123.7179.7-170.3177.3-154.200109.6K5E3-K5 PolarHBondContact O-N 3.06Å
4F53.7Low43.3Very low23 Ų23133.5 Ų133.510%0.10167%0.671CS.*  trans-76.9107177.5-70.5-78.6000110.5F2 F6 W99 Y243F2-F4 HydrophobicContact CD1-CD1 4.41Å; F2-F4 HydrophobicContact CD1-CD2 4.35Å; F2-F4 HydrophobicContact CD1-CE1 4.37Å; F2-F4 HydrophobicContact CD1-CE2 4.3Å; F2-F4 HydrophobicContact CD1-CG 4.39Å; F2-F4 HydrophobicContact CD1-CZ 4.29Å; F2-F4 AromaticContact CE1-CD1 3.55Å; F2-F4 HydrophobicContact CE1-CD1 3.55Å; F2-F4 HydrophobicContact CE1-CD2 4.25Å; F2-F4 AromaticContact CE1-CE1 3.61Å; F2-F4 HydrophobicContact CE1-CE1 3.61Å; F2-F4 HydrophobicContact CE1-CE2 4.29Å; F2-F4 AromaticContact CE1-CG 3.88Å; F2-F4 HydrophobicContact CE1-CG 3.88Å; F2-F4 AromaticContact CE1-CZ 3.98Å; F2-F4 HydrophobicContact CE1-CZ 3.98Å; F2-F4 HydrophobicContact CZ-CD1 4.39Å; F2-F4 HydrophobicContact CZ-CE1 4.37Å; F4-F6 HydrophobicContact CB-CD2 3.75Å; F4-F6 HydrophobicContact CB-CE1 4.16Å; F4-F6 HydrophobicContact CB-CE2 3.3Å; F4-F6 HydrophobicContact CB-CG 4.36Å; F4-F6 HydrophobicContact CB-CZ 3.53Å; F4-F6 AromaticContact CD1-CE1 3.59Å; F4-F6 HydrophobicContact CD1-CE1 3.59Å; F4-F6 AromaticContact CD1-CE2 3.8Å; F4-F6 HydrophobicContact CD1-CE2 3.8Å; F4-F6 AromaticContact CD1-CZ 3.08Å; F4-F6 HydrophobicContact CD1-CZ 3.08Å; F4-F6 HydrophobicContact CD2-CE2 4.42Å; F4-F6 HydrophobicContact CD2-CZ 4.39Å; F4-F6 HydrophobicContact CE1-CE1 4.41Å; F4-F6 AromaticContact CE1-CZ 3.86Å; F4-F6 HydrophobicContact CE1-CZ 3.86Å; F4-F6 HydrophobicContact CG-CD2 4.5Å; F4-F6 HydrophobicContact CG-CE1 4.21Å; F4-F6 AromaticContact CG-CE2 3.6Å; F4-F6 HydrophobicContact CG-CE2 3.6Å; F4-F6 AromaticContact CG-CZ 3.42Å; F4-F6 HydrophobicContact CG-CZ 3.42Å; F4-F6 VanDerWaalsContact CG-CZ 3.42Å; F4-F6 PolarHBondContact O-N 3.29Å; F4-W99 HydrophobicContact CE1-CH2 4.26Å; F4-W99 HydrophobicContact CE1-CZ2 4.5Å; F4-W99 AromaticContact CZ-CH2 3.87Å; F4-W99 HydrophobicContact CZ-CH2 3.87Å; F4-W99 HydrophobicContact CZ-CZ2 4.41Å; F4-W99 HydrophobicContact CZ-CZ3 4.33Å; F4-Y243 AromaticContact CE2-CD1 3.62Å; F4-Y243 HydrophobicContact CE2-CD1 3.62Å; F4-Y243 HydrophobicContact CE2-CG 4.33Å; F4-Y243 AromaticContact CZ-CD1 3.62Å; F4-Y243 HydrophobicContact CZ-CD1 3.62Å; F4-Y243 HydrophobicContact CZ-CE1 4.35Å
5K56.5Low42.8Very low168 Ų168134.3 Ų134.373%0.7368%0.677SS**  trans-94.360.3175.1-64.2-175.4-179178.30111.3E3 Y7E3-K5 PolarHBondContact O-N 3.06Å; K5-Y7 VanDerWaalsContact C-N 3.27Å; K5-Y7 PolarHBondContact O-N 3.24Å
6F51.5Low42.5Very low22 Ų22137.4 Ų137.410%0.09668%0.684CS.*  trans-66.6-30.2-180-59.6-55.6000113.3F4 V87 Y213 R214 P245F4-F6 HydrophobicContact CB-CD2 3.75Å; F4-F6 HydrophobicContact CB-CE1 4.16Å; F4-F6 HydrophobicContact CB-CE2 3.3Å; F4-F6 HydrophobicContact CB-CG 4.36Å; F4-F6 HydrophobicContact CB-CZ 3.53Å; F4-F6 AromaticContact CD1-CE1 3.59Å; F4-F6 HydrophobicContact CD1-CE1 3.59Å; F4-F6 AromaticContact CD1-CE2 3.8Å; F4-F6 HydrophobicContact CD1-CE2 3.8Å; F4-F6 AromaticContact CD1-CZ 3.08Å; F4-F6 HydrophobicContact CD1-CZ 3.08Å; F4-F6 HydrophobicContact CD2-CE2 4.42Å; F4-F6 HydrophobicContact CD2-CZ 4.39Å; F4-F6 HydrophobicContact CE1-CE1 4.41Å; F4-F6 AromaticContact CE1-CZ 3.86Å; F4-F6 HydrophobicContact CE1-CZ 3.86Å; F4-F6 HydrophobicContact CG-CD2 4.5Å; F4-F6 HydrophobicContact CG-CE1 4.21Å; F4-F6 AromaticContact CG-CE2 3.6Å; F4-F6 HydrophobicContact CG-CE2 3.6Å; F4-F6 AromaticContact CG-CZ 3.42Å; F4-F6 HydrophobicContact CG-CZ 3.42Å; F4-F6 VanDerWaalsContact CG-CZ 3.42Å; F4-F6 PolarHBondContact O-N 3.29Å; F6-V87 HydrophobicContact CD1-CG1 4.36Å; F6-V87 HydrophobicContact CE1-CG1 4.14Å; F6-Y213 AromaticContact CE1-CD2 3.68Å; F6-Y213 HydrophobicContact CE1-CD2 3.68Å; F6-Y213 HydrophobicContact CE1-CE2 4.2Å; F6-Y213 AromaticContact CZ-CD2 3.64Å; F6-Y213 HydrophobicContact CZ-CD2 3.64Å; F6-Y213 HydrophobicContact CZ-CG 4.41Å; F6-R214 HydrophobicContact CD1-CG 4.03Å; F6-R214 HydrophobicContact CE1-CG 3.84Å; F6-R214 HydrophobicContact CE2-CG 4.4Å; F6-R214 HydrophobicContact CG-CG 4.4Å; F6-R214 HydrophobicContact CZ-CG 4.03Å; F6-P245 HydrophobicContact CD2-CG 4.4Å
7Y40.4Very low42.4Very low138 Ų138141.3 Ų141.354%0.54169%0.689SS.*SBendtrans-124.6126-175.7-51.1-70.4000107.5K5 N9 P245K5-Y7 VanDerWaalsContact C-N 3.27Å; K5-Y7 PolarHBondContact O-N 3.24Å; Y7-N9 PolarHBondContact O-N 3.03Å; Y7-P245 HydrophobicContact CD2-CB 4.41Å; Y7-P245 HydrophobicContact CD2-CG 3.72Å; Y7-P245 HydrophobicContact CE2-CB 4.4Å; Y7-P245 HydrophobicContact CE2-CG 3.99Å
8A44Very low42.5Very low92 Ų92141.7 Ų141.776%0.7669%0.689SS**  trans-57.8135.3173.900000109S10A8-S10 VanDerWaalsContact C-N 3.26Å; A8-S10 PolarHBondContact O-N 3.46Å
9N35.9Very low43.2Very low178 Ų178140.6 Ų140.695%0.95269%0.687SS**  trans-62.687.6171.4-79.3-13.8000109.1Y7Y7-N9 PolarHBondContact O-N 3.03Å
10S36.9Very low44.5Very low87 Ų87139.9 Ų139.961%0.60869%0.692SS**  trans-107.7117.3162.754.30000107.8A8 D12A8-S10 VanDerWaalsContact C-N 3.26Å; A8-S10 PolarHBondContact O-N 3.46Å; S10-D12 PolarHBondContact O-N 2.81Å
11D39.2Very low46.4Very low175 Ų175135.4 Ų135.494%0.93667%0.672SS**  trans-64.531.2173.9-85.9-38.9000113.8
12D35.3Very low48.6Very low133 Ų133129.6 Ų129.671%0.71165%0.65SS**  trans-107.8109.2177.8-80.9-35.3000110.3S10 E14S10-D12 PolarHBondContact O-N 2.81Å; D12-E14 PolarHBondContact O-N 3.22Å
13K37.6Very low50.5Low215 Ų215126.5 Ų126.594%0.93564%0.636SS**SBendtrans-6614.2176.4-86.1-176.5174.7177.30114.6
14E34.2Very low52.4Low164 Ų164122.3 Ų122.377%0.76662%0.622SS**SBendtrans-138.8137.4177.2-70.5-161157.500111.7D12D12-E14 PolarHBondContact O-N 3.22Å
15L34.8Very low54.2Low146 Ų146125.3 Ų125.376%0.76465%0.646SS**  trans77.793.1-177.1-63.2126.6000114.8R17L15-R17 PolarHBondContact O-N 3.39Å
16K38.7Very low56Low183 Ų183122 Ų12280%0.79664%0.636SS**  -44.378.1129.5-65179.9179.3-178.10109.1H18K16-H18 PolarHBondContact O-N 3.1Å
17R40.7Very low58.1Low204 Ų204122.9 Ų122.977%0.7764%0.643SS**  trans-66.289.4153.3-90.4-171179.6176.21.7104.5L15 D19L15-R17 PolarHBondContact O-N 3.39Å; R17-D19 PolarHBondContact O-N 3.24Å
18H45Very low60.8Low148 Ų148119.1 Ų119.169%0.68563%0.63SS**  trans-62.476.2150-67.3-79.4000105.5K16 T20K16-H18 PolarHBondContact O-N 3.1Å; H18-T20 VanDerWaalsContact C-N 3.32Å; H18-T20 PolarHBondContact O-N 3.46Å
19D54.2Low63.3Low121 Ų121118.7 Ų118.765%0.64762%0.622SS**  trans-51.3112.3158.9-78.8-15.8000103.9R17 V21R17-D19 PolarHBondContact O-N 3.24Å; D19-V21 VanDerWaalsContact C-N 3.27Å; D19-V21 PolarHBondContact O-N 3.03Å
20T70.9Confident66.3Low127 Ų127110.6 Ų110.678%0.77958%0.579SS**  trans-69.196-173.3-55.50000105.9H18 T22H18-T20 VanDerWaalsContact C-N 3.32Å; H18-T20 PolarHBondContact O-N 3.46Å; T20-T22 PolarHBondContact O-N 2.83Å; T20-T22 VanDerWaalsContact O-N 3.07Å
21V83.5Confident69.1Low45 Ų45109.7 Ų109.727%0.27357%0.57SS.*  trans-58.7117.9-178.2-179.80000107.4D19 Y23 P89D19-V21 VanDerWaalsContact C-N 3.27Å; D19-V21 PolarHBondContact O-N 3.03Å; V21-Y23 HydrophobicContact CB-CE2 3.85Å; V21-Y23 HydrophobicContact CG1-CD2 4.12Å; V21-Y23 HydrophobicContact CG1-CE1 4.32Å; V21-Y23 HydrophobicContact CG1-CE2 3.55Å; V21-Y23 WeakPolarHBondContact O-CD2 3.37Å; V21-P89 HydrophobicContact CB-CB 4.3Å; V21-P89 VanDerWaalsContact CG1-C 3.48Å; V21-P89 HydrophobicContact CG1-CB 3.61Å; V21-P89 HydrophobicContact CG2-CB 3.64Å
22T87.2Confident71.8Confident121 Ų121104.4 Ų104.474%0.74254%0.541SS*.  trans-89.8114.1177.1-59.90000108.2T20T20-T22 PolarHBondContact O-N 2.83Å; T20-T22 VanDerWaalsContact O-N 3.07Å
23Y90.3Very high74.7Confident23 Ų23102.5 Ų102.59%0.0954%0.538CS..  trans-86.5138.7175.4-69.8-89.6000110.1V21 E93 Y149 R214 L217 R220V21-Y23 HydrophobicContact CB-CE2 3.85Å; V21-Y23 HydrophobicContact CG1-CD2 4.12Å; V21-Y23 HydrophobicContact CG1-CE1 4.32Å; V21-Y23 HydrophobicContact CG1-CE2 3.55Å; V21-Y23 WeakPolarHBondContact O-CD2 3.37Å; Y23-E93 VanDerWaalsContact CE1-OE1 3.23Å; Y23-E93 WeakPolarHBondContact CE1-OE1 3.34Å; Y23-E93 PolarHBondContact OH-OE1 3.33Å; Y23-Y149 HydrophobicContact CD1-CE2 4.15Å; Y23-R214 PolarHBondContact OH-NH1 3.15Å; Y23-R214 PolarHBondContact OH-NH2 3.48Å; Y23-L217 HydrophobicContact CE1-CD2 3.81Å; Y23-L217 HydrophobicContact CE2-CD2 4.45Å; Y23-L217 VanDerWaalsContact OH-CD2 3.25Å; Y23-L217 WeakPolarHBondContact OH-CD2 3.31Å; Y23-R220 VanDerWaalsContact CD2-CZ 3.49Å; Y23-R220 VanDerWaalsContact CD2-NH2 3.3Å
24S90.6Very high77.5Confident55 Ų5595.2 Ų95.239%0.38551%0.509SS..  trans-62.6136.8176.6-175.40000110.7L26 Y149S24-L26 VanDerWaalsContact C-N 3.27Å; S24-L26 VanDerWaalsContact OG-CB 3.3Å; S24-L26 WeakPolarHBondContact OG-CB 3.37Å; S24-L26 PolarHBondContact OG-N 3.31Å; S24-L26 VanDerWaalsContact OG-N 3.14Å; S24-Y149 PolarHBondContact N-OH 2.82Å; S24-Y149 VanDerWaalsContact N-OH 3.07Å
25S91.7Very high80.5Confident86 Ų8687.7 Ų87.760%0.60148%0.475SS*.  trans-85.1-2.5169.565.90000112.7V27 H190S25-V27 PolarHBondContact O-N 2.87Å; S25-H190 WeakPolarHBondContact CB-NE2 3.46Å
26L94.5Very high83.4Confident98 Ų9882.9 Ų82.951%0.51345%0.447SS..  trans-68.5124.8179.4-178.564000109.7S24 Q28 G186S24-L26 VanDerWaalsContact C-N 3.27Å; S24-L26 VanDerWaalsContact OG-CB 3.3Å; S24-L26 WeakPolarHBondContact OG-CB 3.37Å; S24-L26 PolarHBondContact OG-N 3.31Å; S24-L26 VanDerWaalsContact OG-N 3.14Å; L26-Q28 HydrophobicContact CD1-CG 4.23Å; L26-Q28 HydrophobicContact CD2-CG 4.35Å; L26-Q28 HydrophobicContact CG-CG 4.07Å; L26-G186 WeakPolarHBondContact O-CA 3.39Å
27V95.3Very high86.1Confident41 Ų4180.1 Ų80.125%0.24843%0.432CS..  trans-120.6136.2170.4171.20000107.9S25 F184 S185 H190 L191 L194S25-V27 PolarHBondContact O-N 2.87Å; V27-F184 HydrophobicContact CG1-CD1 4.48Å; V27-S185 VanDerWaalsContact CA-O 3.3Å; V27-S185 WeakPolarHBondContact CA-O 3.21Å; V27-H190 HydrophobicContact CG2-CB 4.01Å; V27-L191 HydrophobicContact CB-CD2 4.48Å; V27-L191 HydrophobicContact CG1-CD2 3.49Å; V27-L191 VanDerWaalsContact CG1-CD2 3.49Å; V27-L191 HydrophobicContact CG1-CG 4.39Å; V27-L191 HydrophobicContact CG2-CD2 4.15Å; V27-L191 HydrophobicContact CG2-CG 4.19Å; V27-L194 HydrophobicContact CG1-CD2 3.81Å
28Q96.9Very high88.6Confident59 Ų5974 Ų7428%0.27642%0.415SS..EExtended strand (participates in β ladder)trans-128135.8176-49.9179-91.800109.9L26 L30 S151 F184 S185L26-Q28 HydrophobicContact CD1-CG 4.23Å; L26-Q28 HydrophobicContact CD2-CG 4.35Å; L26-Q28 HydrophobicContact CG-CG 4.07Å; Q28-L30 HydrophobicContact CB-CD2 4.32Å; Q28-S151 PolarHBondContact OE1-OG 3.47Å; Q28-F184 CarbonylContact O-C 3.57Å; Q28-F184 VanDerWaalsContact O-CA 3.31Å; Q28-F184 WeakPolarHBondContact O-CA 3.35Å; Q28-S185 WeakPolarHBondContact CB-OG 3.34Å; Q28-S185 PolarHBondContact N-O 3.49Å; Q28-S185 PolarHBondContact O-N 2.96Å; Q28-S185 PolarHBondContact OE1-OG 3.29Å
29S96.8Very high91Very high83 Ų8367 Ų6758%0.5838%0.382SS*.EExtended strand (participates in β ladder)trans-92.8127.5164.4-1730000107.8
30L97.8Very high93Very high9 Ų964 Ų645%0.04737%0.366CS..EExtended strand (participates in β ladder)trans-121.3163.9-179.8-54.7173.1000109.6Q28 D34 L154 K155 I159 F183Q28-L30 HydrophobicContact CB-CD2 4.32Å; L30-D34 HydrophobicContact CB-CB 4.14Å; L30-D34 HydrophobicContact CD2-CB 4.1Å; L30-L154 HydrophobicContact CD1-CB 3.96Å; L30-L154 HydrophobicContact CD1-CD1 3.9Å; L30-K155 HydrophobicContact CD1-CG 4.09Å; L30-I159 HydrophobicContact CB-CD1 4.43Å; L30-F183 HydrophobicContact CB-CB 3.89Å; L30-F183 PolarHBondContact N-O 3.27Å; L30-F183 PolarHBondContact O-N 2.89Å
31T96Very high94.2Very high68 Ų6862.8 Ų62.842%0.41736%0.363SS..  trans-131.2174.2179.967.10000110S33 D34 I159T31-S33 PolarHBondContact O-N 2.89Å; T31-S33 VanDerWaalsContact O-N 3.07Å; T31-S33 PolarHBondContact OG1-N 2.88Å; T31-S33 PolarHBondContact OG1-OG 2.92Å; T31-D34 PolarHBondContact N-OD2 3.48Å; T31-D34 WeakPolarHBondContact O-CB 3.47Å; T31-D34 PolarHBondContact O-N 2.77Å; T31-D34 PolarHBondContact OG1-OD2 2.94Å; T31-I159 WeakPolarHBondContact O-CD1 3.36Å
32L96Very high94.8Very high64 Ų6462.7 Ų62.734%0.33536%0.36SS..G310 helixtrans-56.2-24.7174.4-70.3177.6000113.6D34 R37 I159 V162 I163 L181 F183L32-D34 VanDerWaalsContact C-N 3.32Å; L32-R37 PolarHBondContact O-NH2 3.05Å; L32-I159 HydrophobicContact CD2-CG2 4.09Å; L32-V162 HydrophobicContact CD2-CB 4.49Å; L32-V162 HydrophobicContact CD2-CG1 4.14Å; L32-I163 HydrophobicContact CD2-CG1 4.11Å; L32-L181 HydrophobicContact CD1-CD1 3.95Å; L32-L181 HydrophobicContact CD2-CD1 4.22Å; L32-L181 HydrophobicContact CG-CD1 4.34Å; L32-F183 HydrophobicContact CD2-CE2 3.84Å; L32-F183 HydrophobicContact CD2-CZ 3.82Å; L32-F183 HydrophobicContact CG-CE2 4.21Å
33S95.8Very high95.3Very high92 Ų9258.9 Ų58.964%0.64335%0.345SS*.G310 helixtrans-75.8-18.7178.257.20000114T31 G35T31-S33 PolarHBondContact O-N 2.89Å; T31-S33 VanDerWaalsContact O-N 3.07Å; T31-S33 PolarHBondContact OG1-N 2.88Å; T31-S33 PolarHBondContact OG1-OG 2.92Å; S33-G35 VanDerWaalsContact C-N 3.29Å
34D97.1Very high95.6Very high63 Ų6360.9 Ų60.934%0.33736%0.36SS..G310 helixtrans-78.8-15.8178.8-62.5-72.8000112.7L30 T31 L32 K155 I159L30-D34 HydrophobicContact CB-CB 4.14Å; L30-D34 HydrophobicContact CD2-CB 4.1Å; T31-D34 PolarHBondContact N-OD2 3.48Å; T31-D34 WeakPolarHBondContact O-CB 3.47Å; T31-D34 PolarHBondContact O-N 2.77Å; T31-D34 PolarHBondContact OG1-OD2 2.94Å; L32-D34 VanDerWaalsContact C-N 3.32Å; D34-K155 HydrophobicContact CB-CG 4.5Å; D34-K155 WeakPolarHBondContact O-CG 3.4Å; D34-I159 HydrophobicContact CB-CD1 4.47Å
35G96.7Very high95.9Very high5 Ų561.2 Ų61.25%0.05236%0.357CS..SBendtrans-65.8138.417700000113S33 R37 K155S33-G35 VanDerWaalsContact C-N 3.29Å; G35-R37 PolarHBondContact O-N 3.4Å; G35-K155 CarbonylContact C-O 3.54Å; G35-K155 WeakPolarHBondContact CA-O 3.34Å
36Y95.5Very high96.2Very high46 Ų4660.5 Ų60.518%0.1834%0.343CS..  trans-72.2109.5-180-7715.4000109.9D38 V39 Y66 L70 K74 K155 C156Y36-D38 VanDerWaalsContact C-N 3.34Å; Y36-D38 WeakPolarHBondContact CB-OD1 3.49Å; Y36-D38 PolarHBondContact O-N 2.96Å; Y36-V39 WeakPolarHBondContact O-CB 3.21Å; Y36-V39 PolarHBondContact O-N 3.38Å; Y36-Y66 HydrophobicContact CD2-CE1 4.28Å; Y36-Y66 WeakPolarHBondContact CD2-OH 3.35Å; Y36-L70 HydrophobicContact CD2-CD1 4.48Å; Y36-L70 HydrophobicContact CE2-CD1 4.03Å; Y36-K74 HydrophobicContact CE2-CD 4.46Å; Y36-K74 PolarHBondContact OH-O 3.1Å; Y36-K155 HydrophobicContact CD1-CB 4.11Å; Y36-K155 HydrophobicContact CE1-CB 4.18Å; Y36-K155 HydrophobicContact CE1-CD 4.31Å; Y36-K155 PolarHBondContact N-O 3.39Å; Y36-C156 WeakPolarHBondContact CD2-SG 3.32Å
37R94.6Very high96.3Very high125 Ų12556.8 Ų56.847%0.47232%0.324SS..G310 helixtrans-71.2-29-172.1-63.1-63.9-178.5-171.7-7113.5L32 G35 V39 L40L32-R37 PolarHBondContact O-NH2 3.05Å; G35-R37 PolarHBondContact O-N 3.4Å; R37-V39 PolarHBondContact O-N 2.96Å; R37-L40 VanDerWaalsContact O-CB 3.27Å; R37-L40 WeakPolarHBondContact O-CB 3.39Å; R37-L40 WeakPolarHBondContact O-CG 3.24Å; R37-L40 PolarHBondContact O-N 2.82Å; R37-L40 VanDerWaalsContact O-N 3.14Å
38D94.6Very high96.3Very high75 Ų7557.7 Ų57.740%0.40134%0.335SS..G310 helixtrans-62.6-30.6174.750.4-27.1000112.3Y36 L40 S41 Y66Y36-D38 VanDerWaalsContact C-N 3.34Å; Y36-D38 WeakPolarHBondContact CB-OD1 3.49Å; Y36-D38 PolarHBondContact O-N 2.96Å; D38-L40 PolarHBondContact O-N 3.34Å; D38-S41 PolarHBondContact O-N 2.78Å; D38-S41 VanDerWaalsContact O-N 3.17Å; D38-S41 PolarHBondContact O-OG 2.81Å; D38-Y66 HydrophobicContact CB-CE2 4.47Å; D38-Y66 PolarHBondContact OD1-OH 3.05Å; D38-Y66 VanDerWaalsContact OD1-OH 3.05Å; D38-Y66 WeakPolarHBondContact OD2-CE2 3.35Å; D38-Y66 VanDerWaalsContact OD2-CZ 3.3Å; D38-Y66 PolarHBondContact OD2-OH 2.85Å
39V95.9Very high96.2Very high0 Ų055.2 Ų55.20%032%0.324CS..G310 helixtrans-60.1-30.4173.6-1760000111.6Y36 R37 S41 L42 I58 L63 Y66 C156 P160Y36-V39 WeakPolarHBondContact O-CB 3.21Å; Y36-V39 PolarHBondContact O-N 3.38Å; R37-V39 PolarHBondContact O-N 2.96Å; V39-S41 PolarHBondContact O-N 2.92Å; V39-L42 HydrophobicContact CB-CD1 4.35Å; V39-L42 HydrophobicContact CG1-CD1 3.83Å; V39-L42 VanDerWaalsContact O-CB 3.3Å; V39-L42 WeakPolarHBondContact O-CB 3.4Å; V39-L42 VanDerWaalsContact O-CG 3.32Å; V39-L42 WeakPolarHBondContact O-CG 3.27Å; V39-L42 PolarHBondContact O-N 3.01Å; V39-I58 HydrophobicContact CG1-CB 4.38Å; V39-I58 HydrophobicContact CG1-CD1 4.11Å; V39-I58 HydrophobicContact CG1-CG1 3.77Å; V39-I58 HydrophobicContact CG1-CG2 4.01Å; V39-I58 VanDerWaalsContact O-CD1 3.26Å; V39-I58 WeakPolarHBondContact O-CD1 3.31Å; V39-L63 HydrophobicContact CG1-CD1 4.23Å; V39-Y66 HydrophobicContact CG2-CD1 4.07Å; V39-Y66 HydrophobicContact CG2-CE1 3.53Å; V39-Y66 HydrophobicContact CG2-CE2 4.3Å; V39-C156 VanDerWaalsContact CG1-O 3.29Å; V39-C156 WeakPolarHBondContact CG1-O 3.39Å; V39-P160 HydrophobicContact CB-CB 4.36Å; V39-P160 HydrophobicContact CB-CG 4.12Å; V39-P160 HydrophobicContact CG1-CB 4.09Å; V39-P160 HydrophobicContact CG1-CG 4.13Å
40L95.2Very high95.6Very high58 Ų5856 Ų5630%0.30433%0.329SS..G310 helixtrans-63.4-15.6-179.9-59173.3000113.7R37 D38 P160 I163 I164R37-L40 VanDerWaalsContact O-CB 3.27Å; R37-L40 WeakPolarHBondContact O-CB 3.39Å; R37-L40 WeakPolarHBondContact O-CG 3.24Å; R37-L40 PolarHBondContact O-N 2.82Å; R37-L40 VanDerWaalsContact O-N 3.14Å; D38-L40 PolarHBondContact O-N 3.34Å; L40-P160 HydrophobicContact CD2-CB 3.92Å; L40-I163 HydrophobicContact CD1-CG2 4.04Å; L40-I163 HydrophobicContact CD2-CB 4.1Å; L40-I163 HydrophobicContact CD2-CD1 4.44Å; L40-I163 HydrophobicContact CD2-CG2 3.99Å; L40-I164 HydrophobicContact CD2-CD1 4.06Å; L40-I164 HydrophobicContact CD2-CG1 3.8Å
41S95.4Very high94.9Very high103 Ų10360.1 Ų60.172%0.7235%0.351SS*.G310 helixtrans-88.9-6.8176.369.40000114D38 V39D38-S41 PolarHBondContact O-N 2.78Å; D38-S41 VanDerWaalsContact O-N 3.17Å; D38-S41 PolarHBondContact O-OG 2.81Å; V39-S41 PolarHBondContact O-N 2.92Å
42L96.9Very high94.6Very high43 Ų4360 Ų6023%0.22536%0.364CS..SBendtrans-74.7164179.7-58.2179.5000111.5V39 I58 V62 Y66V39-L42 HydrophobicContact CB-CD1 4.35Å; V39-L42 HydrophobicContact CG1-CD1 3.83Å; V39-L42 VanDerWaalsContact O-CB 3.3Å; V39-L42 WeakPolarHBondContact O-CB 3.4Å; V39-L42 VanDerWaalsContact O-CG 3.32Å; V39-L42 WeakPolarHBondContact O-CG 3.27Å; V39-L42 PolarHBondContact O-N 3.01Å; L42-I58 HydrophobicContact CB-CD1 4.46Å; L42-I58 HydrophobicContact CB-CG2 4Å; L42-I58 HydrophobicContact CD1-CG2 4.04Å; L42-V62 HydrophobicContact CB-CG2 3.97Å; L42-Y66 HydrophobicContact CD1-CD2 4.16Å; L42-Y66 HydrophobicContact CD1-CG 3.88Å; L42-Y66 HydrophobicContact CD2-CD2 4.44Å
43G97.1Very high94.3Very high41 Ų4158.8 Ų58.842%0.42336%0.36SS..  trans-59.2140.8173.700000112D59 V62G43-D59 PolarHBondContact O-N 3.18Å; G43-V62 WeakPolarHBondContact O-CG2 3.28Å
44T97.6Very high94.3Very high64 Ų6458.6 Ų58.639%0.39335%0.348SS..EExtended strand (participates in β ladder)trans-114.6146.6177.157.30000110.9Y57 I58 I164T44-Y57 CarbonylContact C-O 3.55Å; T44-Y57 WeakPolarHBondContact CA-O 3.46Å; T44-Y57 WeakPolarHBondContact CB-O 3.29Å; T44-I58 HydrophobicContact CG2-CD1 4.11Å; T44-I164 HydrophobicContact CG2-CD1 3.98Å
45D97.2Very high94.3Very high63 Ų6355.6 Ų55.634%0.33733%0.332SS..EExtended strand (participates in β ladder)trans-116.1177.6164.1-171.418.6000109.1W56 Y57 D59D45-W56 WeakPolarHBondContact O-CA 3.25Å; D45-Y57 HydrophobicContact CB-CD2 4.39Å; D45-Y57 HydrophobicContact CB-CE2 3.7Å; D45-Y57 PolarHBondContact N-O 2.89Å; D45-Y57 PolarHBondContact O-N 2.96Å; D45-Y57 VanDerWaalsContact O-O 3.13Å; D45-Y57 PolarHBondContact OD2-OH 3.2Å; D45-D59 HydrophobicContact CB-CB 4.34Å
46F96.8Very high94.4Very high70 Ų7059.3 Ų59.331%0.30735%0.345SS..EExtended strand (participates in β ladder)trans-142.4148.1177.665.2-90.9000113.5A48 K54 L55 W56F46-A48 HydrophobicContact CD2-CB 4.39Å; F46-A48 HydrophobicContact CE2-CB 4.2Å; F46-K54 HydrophobicContact CB-CB 4.35Å; F46-K54 HydrophobicContact CD1-CD 4.43Å; F46-K54 HydrophobicContact CD2-CB 4.2Å; F46-K54 HydrophobicContact CD2-CD 3.61Å; F46-K54 HydrophobicContact CD2-CG 3.77Å; F46-K54 HydrophobicContact CE2-CD 3.79Å; F46-K54 HydrophobicContact CE2-CG 4.18Å; F46-K54 HydrophobicContact CG-CB 4.47Å; F46-K54 HydrophobicContact CG-CD 3.97Å; F46-K54 HydrophobicContact CG-CG 4.38Å; F46-K54 HydrophobicContact CZ-CD 4.29Å; F46-L55 CarbonylContact C-O 3.54Å; F46-L55 WeakPolarHBondContact CA-O 3.22Å; F46-L55 WeakPolarHBondContact CB-O 3.21Å; F46-W56 HydrophobicContact CB-CD2 3.97Å; F46-W56 HydrophobicContact CB-CE3 3.82Å; F46-W56 HydrophobicContact CB-CG 4.44Å; F46-W56 HydrophobicContact CB-CZ3 4.21Å; F46-W56 HydrophobicContact CD1-CE3 4.13Å; F46-W56 AromaticContact CD1-CH2 3.84Å; F46-W56 HydrophobicContact CD1-CH2 3.84Å; F46-W56 AromaticContact CD1-CZ3 3.62Å; F46-W56 HydrophobicContact CD1-CZ3 3.62Å; F46-W56 HydrophobicContact CE1-CH2 4.43Å; F46-W56 HydrophobicContact CE1-CZ3 4.48Å; F46-W56 HydrophobicContact CG-CE3 4.4Å; F46-W56 HydrophobicContact CG-CH2 4.49Å; F46-W56 HydrophobicContact CG-CZ3 4.3Å
47H96.8Very high94.5Very high21 Ų2157.6 Ų57.610%0.09734%0.338CS..EExtended strand (participates in β ladder)trans-92.5118.7165.6-177.659.7000109.6K54 L55 Y57 N107 L131H47-K54 WeakPolarHBondContact O-CA 3.45Å; H47-L55 PolarHBondContact N-O 3.27Å; H47-L55 PolarHBondContact O-N 2.93Å; H47-Y57 HydrophobicContact CB-CE1 4.32Å; H47-N107 PolarHBondContact NE2-OD1 2.84Å; H47-L131 HydrophobicContact CB-CD1 4.18Å
48A96.5Very high94.6Very high59 Ų5951.6 Ų51.649%0.48832%0.315SS..EExtended strand (participates in β ladder)trans-80.1126.2173.900000110.3F46F46-A48 HydrophobicContact CD2-CB 4.39Å; F46-A48 HydrophobicContact CE2-CB 4.2Å
49I94.3Very high94.7Very high7 Ų750 Ų504%0.03631%0.307CS..PPolyproline II helixtrans-95.4147.5177.7-57.2164.6000108.8N51 G52 S53 L55 V106 S110 F135I49-N51 WeakPolarHBondContact CB-OD1 2.95Å; I49-N51 VanDerWaalsContact CG2-OD1 3.27Å; I49-N51 WeakPolarHBondContact CG2-OD1 3.25Å; I49-N51 PolarHBondContact O-N 2.8Å; I49-G52 PolarHBondContact O-N 2.89Å; I49-S53 VanDerWaalsContact CD1-OG 3.24Å; I49-S53 WeakPolarHBondContact CD1-OG 3.46Å; I49-S53 PolarHBondContact N-O 2.85Å; I49-L55 HydrophobicContact CD1-CD1 3.97Å; I49-L55 HydrophobicContact CD1-CD2 3.93Å; I49-L55 HydrophobicContact CD1-CG 3.59Å; I49-L55 HydrophobicContact CG1-CG 4.39Å; I49-V106 HydrophobicContact CD1-CG1 3.93Å; I49-V106 HydrophobicContact CG1-CG1 3.84Å; I49-S110 WeakPolarHBondContact CG2-OG 3.39Å; I49-F135 HydrophobicContact CD1-CD2 3.53Å; I49-F135 HydrophobicContact CD1-CE2 3.68Å; I49-F135 HydrophobicContact CG2-CE2 4.5Å
50S83.2Confident94.6Very high99 Ų9953.2 Ų53.269%0.69232%0.322SS*.THydrogen-bonded Turntrans-57.1-21.1-178.258.90000115.1G52S50-G52 PolarHBondContact O-N 2.69Å
51N84.2Confident94.6Very high96 Ų9654 Ų5451%0.51333%0.332SS..THydrogen-bonded Turntrans-834.6175.669-5000113.3I49 S53I49-N51 WeakPolarHBondContact CB-OD1 2.95Å; I49-N51 VanDerWaalsContact CG2-OD1 3.27Å; I49-N51 WeakPolarHBondContact CG2-OD1 3.25Å; I49-N51 PolarHBondContact O-N 2.8Å; N51-S53 VanDerWaalsContact C-N 3.34Å; N51-S53 PolarHBondContact ND2-OG 3.42Å; N51-S53 WeakPolarHBondContact OD1-CB 3.44Å; N51-S53 PolarHBondContact OD1-N 3.29Å; N51-S53 PolarHBondContact OD1-OG 3.19Å
52G88.7Confident94.6Very high66 Ų6651.1 Ų51.168%0.6831%0.31SS*.SBendtrans89.7-12.3-179.300000114.8I49 S50I49-G52 PolarHBondContact O-N 2.89Å; S50-G52 PolarHBondContact O-N 2.69Å
53S91.2Very high94.5Very high38 Ų3849.1 Ų49.127%0.26630%0.3SS..  trans-73.2161.8175.9690000112.2I49 N51I49-S53 VanDerWaalsContact CD1-OG 3.24Å; I49-S53 WeakPolarHBondContact CD1-OG 3.46Å; I49-S53 PolarHBondContact N-O 2.85Å; N51-S53 VanDerWaalsContact C-N 3.34Å; N51-S53 PolarHBondContact ND2-OG 3.42Å; N51-S53 WeakPolarHBondContact OD1-CB 3.44Å; N51-S53 PolarHBondContact OD1-N 3.29Å; N51-S53 PolarHBondContact OD1-OG 3.19Å
54K95.6Very high94.4Very high89 Ų8949.3 Ų49.339%0.38729%0.291SS..EExtended strand (participates in β ladder)trans-126.2140.5179.9-64.8179.6179.1-173.40110.6F46 H47 W56F46-K54 HydrophobicContact CB-CB 4.35Å; F46-K54 HydrophobicContact CD1-CD 4.43Å; F46-K54 HydrophobicContact CD2-CB 4.2Å; F46-K54 HydrophobicContact CD2-CD 3.61Å; F46-K54 HydrophobicContact CD2-CG 3.77Å; F46-K54 HydrophobicContact CE2-CD 3.79Å; F46-K54 HydrophobicContact CE2-CG 4.18Å; F46-K54 HydrophobicContact CG-CB 4.47Å; F46-K54 HydrophobicContact CG-CD 3.97Å; F46-K54 HydrophobicContact CG-CG 4.38Å; F46-K54 HydrophobicContact CZ-CD 4.29Å; H47-K54 WeakPolarHBondContact O-CA 3.45Å; K54-W56 HydrophobicContact CD-CZ2 4.12Å
55L96.8Very high94.2Very high0 Ų049.9 Ų49.90%029%0.291CS..EExtended strand (participates in β ladder)trans-108.9115.1166.2-54.8-177.7000108.6F46 H47 I49 V106 L131 I134 F135 K138F46-L55 CarbonylContact C-O 3.54Å; F46-L55 WeakPolarHBondContact CA-O 3.22Å; F46-L55 WeakPolarHBondContact CB-O 3.21Å; H47-L55 PolarHBondContact N-O 3.27Å; H47-L55 PolarHBondContact O-N 2.93Å; I49-L55 HydrophobicContact CD1-CD1 3.97Å; I49-L55 HydrophobicContact CD1-CD2 3.93Å; I49-L55 HydrophobicContact CD1-CG 3.59Å; I49-L55 HydrophobicContact CG1-CG 4.39Å; L55-V106 HydrophobicContact CD1-CG1 3.74Å; L55-V106 HydrophobicContact CD1-CG2 4.01Å; L55-L131 HydrophobicContact CB-CD2 3.96Å; L55-L131 HydrophobicContact CD1-CB 4.18Å; L55-L131 HydrophobicContact CD1-CD2 4.44Å; L55-I134 HydrophobicContact CD2-CG2 4.12Å; L55-F135 HydrophobicContact CD1-CB 4.01Å; L55-F135 HydrophobicContact CD1-CD2 4.43Å; L55-F135 HydrophobicContact CD2-CD2 4.46Å; L55-K138 HydrophobicContact CD2-CD 3.79Å
56W97.3Very high94.2Very high83 Ų8348.1 Ų48.131%0.31428%0.28SS..EExtended strand (participates in β ladder)trans-82.4147179.7-62.591.3000110.5D45 F46 K54 I164 N165D45-W56 WeakPolarHBondContact O-CA 3.25Å; F46-W56 HydrophobicContact CB-CD2 3.97Å; F46-W56 HydrophobicContact CB-CE3 3.82Å; F46-W56 HydrophobicContact CB-CG 4.44Å; F46-W56 HydrophobicContact CB-CZ3 4.21Å; F46-W56 HydrophobicContact CD1-CE3 4.13Å; F46-W56 AromaticContact CD1-CH2 3.84Å; F46-W56 HydrophobicContact CD1-CH2 3.84Å; F46-W56 AromaticContact CD1-CZ3 3.62Å; F46-W56 HydrophobicContact CD1-CZ3 3.62Å; F46-W56 HydrophobicContact CE1-CH2 4.43Å; F46-W56 HydrophobicContact CE1-CZ3 4.48Å; F46-W56 HydrophobicContact CG-CE3 4.4Å; F46-W56 HydrophobicContact CG-CH2 4.49Å; F46-W56 HydrophobicContact CG-CZ3 4.3Å; K54-W56 HydrophobicContact CD-CZ2 4.12Å; W56-I164 HydrophobicContact CB-CG2 3.79Å; W56-I164 HydrophobicContact CG-CG2 4.5Å; W56-N165 PolarHBondContact N-OD1 3.04Å; W56-N165 PolarHBondContact O-ND2 3.37Å
57Y97.6Very high94Very high9 Ų944.9 Ų44.94%0.03527%0.266CS..EExtended strand (participates in β ladder)trans-148153.1172.155.3-91.5000110.3T44 D45 H47 D59 L98 C129 L131 N161T44-Y57 CarbonylContact C-O 3.55Å; T44-Y57 WeakPolarHBondContact CA-O 3.46Å; T44-Y57 WeakPolarHBondContact CB-O 3.29Å; D45-Y57 HydrophobicContact CB-CD2 4.39Å; D45-Y57 HydrophobicContact CB-CE2 3.7Å; D45-Y57 PolarHBondContact N-O 2.89Å; D45-Y57 PolarHBondContact O-N 2.96Å; D45-Y57 VanDerWaalsContact O-O 3.13Å; D45-Y57 PolarHBondContact OD2-OH 3.2Å; H47-Y57 HydrophobicContact CB-CE1 4.32Å; Y57-D59 PolarHBondContact O-N 3.43Å; Y57-L98 HydrophobicContact CD1-CD2 4.16Å; Y57-L98 HydrophobicContact CD2-CD2 4.1Å; Y57-L98 HydrophobicContact CE1-CD2 3.65Å; Y57-L98 HydrophobicContact CE2-CD2 3.63Å; Y57-L98 HydrophobicContact CG-CD2 4.36Å; Y57-C129 WeakPolarHBondContact CB-SG 3.28Å; Y57-L131 HydrophobicContact CD1-CD1 4.19Å; Y57-L131 HydrophobicContact CD1-CD2 4.02Å; Y57-L131 HydrophobicContact CE1-CD1 4.4Å; Y57-N161 VanDerWaalsContact CA-OD1 3.31Å; Y57-N161 WeakPolarHBondContact CA-OD1 3.16Å
58I98Very high93.8Very high0 Ų047.7 Ų47.70%028%0.276CS..EExtended strand (participates in β ladder)trans-62.3126169.1-56-66.1000108.2V39 L42 T44 V62 L63 W157 P160 N161 I164V39-I58 HydrophobicContact CG1-CB 4.38Å; V39-I58 HydrophobicContact CG1-CD1 4.11Å; V39-I58 HydrophobicContact CG1-CG1 3.77Å; V39-I58 HydrophobicContact CG1-CG2 4.01Å; V39-I58 VanDerWaalsContact O-CD1 3.26Å; V39-I58 WeakPolarHBondContact O-CD1 3.31Å; L42-I58 HydrophobicContact CB-CD1 4.46Å; L42-I58 HydrophobicContact CB-CG2 4Å; L42-I58 HydrophobicContact CD1-CG2 4.04Å; T44-I58 HydrophobicContact CG2-CD1 4.11Å; I58-V62 HydrophobicContact CG2-CG2 4.12Å; I58-L63 HydrophobicContact CG2-CB 4.15Å; I58-W157 PolarHBondContact O-NE1 3.19Å; I58-P160 HydrophobicContact CG1-CB 4.3Å; I58-N161 WeakPolarHBondContact CG1-OD1 3.29Å; I58-N161 PolarHBondContact N-OD1 3.4Å; I58-I164 HydrophobicContact CD1-CD1 3.38Å; I58-I164 HydrophobicContact CG1-CD1 4.05Å
59D97.1Very high93.7Very high41 Ų4152.8 Ų52.822%0.21929%0.287CS..  trans-60.8140.6-177.7172.7-88.9000111.5G43 D45 Y57 S61 V62 L63G43-D59 PolarHBondContact O-N 3.18Å; D45-D59 HydrophobicContact CB-CB 4.34Å; Y57-D59 PolarHBondContact O-N 3.43Å; D59-S61 VanDerWaalsContact C-N 3.34Å; D59-S61 PolarHBondContact O-N 3.28Å; D59-S61 WeakPolarHBondContact OD1-CA 3.46Å; D59-S61 WeakPolarHBondContact OD1-CB 3.28Å; D59-S61 PolarHBondContact OD1-N 2.72Å; D59-S61 PolarHBondContact OD1-OG 2.89Å; D59-V62 HydrophobicContact CB-CG2 3.81Å; D59-V62 WeakPolarHBondContact O-CG2 3.31Å; D59-V62 PolarHBondContact O-N 3.12Å; D59-V62 PolarHBondContact OD1-N 2.84Å; D59-L63 WeakPolarHBondContact O-CB 3.47Å; D59-L63 PolarHBondContact O-N 3.45Å
60E94Very high93.7Very high68 Ų6853 Ų5332%0.31829%0.288SS..Hα-helixtrans-62.8-40-174.1177.1171.316000111.9L63 D64 F96 T97 L98E60-L63 PolarHBondContact O-N 2.87Å; E60-D64 WeakPolarHBondContact O-CB 3.41Å; E60-D64 PolarHBondContact O-N 3.11Å; E60-F96 WeakPolarHBondContact CG-O 3.14Å; E60-T97 WeakPolarHBondContact OE1-CA 3.48Å; E60-T97 WeakPolarHBondContact OE1-CB 3.44Å; E60-T97 PolarHBondContact OE1-OG1 3.31Å; E60-T97 WeakPolarHBondContact OE2-CA 3.14Å; E60-L98 PolarHBondContact OE2-N 3.17Å
61S93.5Very high94.1Very high75 Ų7551.5 Ų51.552%0.52428%0.276SS..Hα-helixtrans-69.4-40.1-177.272.90000112.1D59 D65D59-S61 VanDerWaalsContact C-N 3.34Å; D59-S61 PolarHBondContact O-N 3.28Å; D59-S61 WeakPolarHBondContact OD1-CA 3.46Å; D59-S61 WeakPolarHBondContact OD1-CB 3.28Å; D59-S61 PolarHBondContact OD1-N 2.72Å; D59-S61 PolarHBondContact OD1-OG 2.89Å; S61-D65 PolarHBondContact O-N 3.37Å
62V96Very high94.4Very high42 Ų4252.5 Ų52.526%0.25528%0.276SS..Hα-helixtrans-74-30.2177.2-55.50000112L42 G43 I58 D59 Y66L42-V62 HydrophobicContact CB-CG2 3.97Å; G43-V62 WeakPolarHBondContact O-CG2 3.28Å; I58-V62 HydrophobicContact CG2-CG2 4.12Å; D59-V62 HydrophobicContact CB-CG2 3.81Å; D59-V62 WeakPolarHBondContact O-CG2 3.31Å; D59-V62 PolarHBondContact O-N 3.12Å; D59-V62 PolarHBondContact OD1-N 2.84Å; V62-Y66 WeakPolarHBondContact O-CB 3.38Å; V62-Y66 PolarHBondContact O-N 3.04Å
63L95.7Very high94.4Very high1 Ų154.6 Ų54.61%0.00528%0.28CS..Hα-helixtrans-67.8-45.8173.4-17963.9000111.3V39 I58 D59 E60 D65 Y66 L67 F96 C156 W157V39-L63 HydrophobicContact CG1-CD1 4.23Å; I58-L63 HydrophobicContact CG2-CB 4.15Å; D59-L63 WeakPolarHBondContact O-CB 3.47Å; D59-L63 PolarHBondContact O-N 3.45Å; E60-L63 PolarHBondContact O-N 2.87Å; L63-D65 VanDerWaalsContact C-N 3.31Å; L63-D65 PolarHBondContact O-N 2.89Å; L63-Y66 HydrophobicContact CD1-CD1 4.3Å; L63-Y66 WeakPolarHBondContact O-CA 3.44Å; L63-Y66 WeakPolarHBondContact O-CB 3.49Å; L63-Y66 PolarHBondContact O-N 2.95Å; L63-L67 HydrophobicContact CD1-CD1 4.43Å; L63-L67 HydrophobicContact CD1-CG 4.22Å; L63-L67 HydrophobicContact CG-CD1 4.02Å; L63-L67 HydrophobicContact CG-CG 4.26Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 2.85Å; L63-F96 HydrophobicContact CD2-CD1 3.8Å; L63-F96 HydrophobicContact CD2-CE1 4.37Å; L63-C156 HydrophobicContact CD1-CB 4.35Å; L63-C156 WeakPolarHBondContact CD1-O 3.3Å; L63-W157 HydrophobicContact CD2-CB 3.84Å; L63-W157 VanDerWaalsContact CD2-CD1 3.49Å; L63-W157 HydrophobicContact CD2-CD2 3.77Å; L63-W157 HydrophobicContact CD2-CG 3.46Å; L63-W157 VanDerWaalsContact CD2-CG 3.46Å
64D93.7Very high94.3Very high45 Ų4557.6 Ų57.624%0.24129%0.288CS..Hα-helixtrans-58.3-43.2176.3-18059.9000111.7E60 Y66 L67 R68 H84E60-D64 WeakPolarHBondContact O-CB 3.41Å; E60-D64 PolarHBondContact O-N 3.11Å; D64-Y66 VanDerWaalsContact C-N 3.31Å; D64-Y66 PolarHBondContact O-N 2.85Å; D64-L67 PolarHBondContact O-N 2.99Å; D64-R68 WeakPolarHBondContact O-CG 3.32Å; D64-R68 PolarHBondContact O-N 3.32Å; D64-R68 VanDerWaalsContact O-N 3.13Å; D64-R68 PolarHBondContact O-NE 3.44Å; D64-R68 IonicContact OD2-CZ 3.54Å; D64-R68 IonicContact OD2-NE 2.81Å; D64-R68 PolarHBondContact OD2-NE 3.33Å; D64-R68 IonicContact OD2-NH1 3.13Å; D64-R68 IonicContact OD2-NH2 3.05Å; D64-R68 PolarHBondContact OD2-NH2 2.81Å; D64-H84 IonicContact OD2-CE1 3.64Å
65D94.9Very high93.9Very high75 Ų7553.4 Ų53.440%0.40127%0.27SS..Hα-helixtrans-61.2-37.4172.4-86.1-5.9000113.5S61 L63 R68 K69S61-D65 PolarHBondContact O-N 3.37Å; L63-D65 VanDerWaalsContact C-N 3.31Å; L63-D65 PolarHBondContact O-N 2.89Å; D65-R68 IonicContact OD1-CZ 3.7Å; D65-R68 IonicContact OD1-NE 3.76Å; D65-R68 IonicContact OD1-NH2 3.08Å; D65-R68 PolarHBondContact OD1-NH2 3.09Å; D65-K69 WeakPolarHBondContact O-CD 3.24Å; D65-K69 WeakPolarHBondContact O-CE 3.42Å; D65-K69 WeakPolarHBondContact O-CG 3.39Å
66Y95.4Very high93.5Very high26 Ų2659.5 Ų59.510%0.10230%0.303CS..Hα-helixtrans-68.9-47.7176.7169.1-90.8000111.4Y36 D38 V39 L42 V62 L63 D64 R68 K69 L70Y36-Y66 HydrophobicContact CD2-CE1 4.28Å; Y36-Y66 WeakPolarHBondContact CD2-OH 3.35Å; D38-Y66 HydrophobicContact CB-CE2 4.47Å; D38-Y66 PolarHBondContact OD1-OH 3.05Å; D38-Y66 VanDerWaalsContact OD1-OH 3.05Å; D38-Y66 WeakPolarHBondContact OD2-CE2 3.35Å; D38-Y66 VanDerWaalsContact OD2-CZ 3.3Å; D38-Y66 PolarHBondContact OD2-OH 2.85Å; V39-Y66 HydrophobicContact CG2-CD1 4.07Å; V39-Y66 HydrophobicContact CG2-CE1 3.53Å; V39-Y66 HydrophobicContact CG2-CE2 4.3Å; L42-Y66 HydrophobicContact CD1-CD2 4.16Å; L42-Y66 HydrophobicContact CD1-CG 3.88Å; L42-Y66 HydrophobicContact CD2-CD2 4.44Å; V62-Y66 WeakPolarHBondContact O-CB 3.38Å; V62-Y66 PolarHBondContact O-N 3.04Å; L63-Y66 HydrophobicContact CD1-CD1 4.3Å; L63-Y66 WeakPolarHBondContact O-CA 3.44Å; L63-Y66 WeakPolarHBondContact O-CB 3.49Å; L63-Y66 PolarHBondContact O-N 2.95Å; D64-Y66 VanDerWaalsContact C-N 3.31Å; D64-Y66 PolarHBondContact O-N 2.85Å; Y66-R68 VanDerWaalsContact C-N 3.29Å; Y66-R68 PolarHBondContact O-N 3.3Å; Y66-K69 PolarHBondContact O-N 2.8Å; Y66-L70 HydrophobicContact CD1-CD1 4.41Å; Y66-L70 HydrophobicContact CE1-CD1 3.79Å; Y66-L70 HydrophobicContact CE1-CD2 4.08Å; Y66-L70 HydrophobicContact CE1-CG 4.01Å; Y66-L70 PolarHBondContact O-N 3.33Å
67L94.4Very high93.1Very high2 Ų255.6 Ų55.61%0.0129%0.288CS..Hα-helixtrans-61-38.2-178.5-68171.4000111.8L63 D64 K69 L70 L75 V81 F96 C156L63-L67 HydrophobicContact CD1-CD1 4.43Å; L63-L67 HydrophobicContact CD1-CG 4.22Å; L63-L67 HydrophobicContact CG-CD1 4.02Å; L63-L67 HydrophobicContact CG-CG 4.26Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 2.85Å; D64-L67 PolarHBondContact O-N 2.99Å; L67-K69 PolarHBondContact O-N 2.68Å; L67-L70 HydrophobicContact CD2-CD1 4Å; L67-L70 WeakPolarHBondContact O-CB 3.28Å; L67-L70 PolarHBondContact O-N 2.78Å; L67-L70 VanDerWaalsContact O-N 3.16Å; L67-L75 HydrophobicContact CD2-CD1 4.38Å; L67-V81 HydrophobicContact CB-CG1 3.91Å; L67-F96 HydrophobicContact CD1-CD1 3.6Å; L67-F96 HydrophobicContact CD1-CD2 3.9Å; L67-F96 HydrophobicContact CD1-CE1 3.58Å; L67-F96 HydrophobicContact CD1-CE2 3.89Å; L67-F96 HydrophobicContact CD1-CG 3.76Å; L67-F96 HydrophobicContact CD1-CZ 3.72Å; L67-F96 HydrophobicContact CD2-CE1 4.22Å; L67-F96 HydrophobicContact CD2-CZ 4.11Å; L67-C156 HydrophobicContact CD2-CB 3.92Å
68R92.4Very high92.7Very high81 Ų8157.3 Ų57.331%0.30630%0.296SS..THydrogen-bonded Turntrans-67.7-19.9176.1-71.8-178-68.7-171.5-6.5114.3D64 D65 Y66 V81 H82 H84D64-R68 WeakPolarHBondContact O-CG 3.32Å; D64-R68 PolarHBondContact O-N 3.32Å; D64-R68 VanDerWaalsContact O-N 3.13Å; D64-R68 PolarHBondContact O-NE 3.44Å; D64-R68 IonicContact OD2-CZ 3.54Å; D64-R68 IonicContact OD2-NE 2.81Å; D64-R68 PolarHBondContact OD2-NE 3.33Å; D64-R68 IonicContact OD2-NH1 3.13Å; D64-R68 IonicContact OD2-NH2 3.05Å; D64-R68 PolarHBondContact OD2-NH2 2.81Å; D65-R68 IonicContact OD1-CZ 3.7Å; D65-R68 IonicContact OD1-NE 3.76Å; D65-R68 IonicContact OD1-NH2 3.08Å; D65-R68 PolarHBondContact OD1-NH2 3.09Å; Y66-R68 VanDerWaalsContact C-N 3.29Å; Y66-R68 PolarHBondContact O-N 3.3Å; R68-V81 HydrophobicContact CG-CG1 3.86Å; R68-H82 PolarHBondContact O-NE2 2.9Å; R68-H84 PolarHBondContact NH1-CE1 2.91Å; R68-H84 PolarHBondContact NH1-NE2 3.24Å
69K94.2Very high92.4Very high166 Ų16661.8 Ų61.872%0.72232%0.319SS*.THydrogen-bonded Turntrans-89.3-10.9175.4-67.4166.5-170162.60112.5D65 Y66 L67D65-K69 WeakPolarHBondContact O-CD 3.24Å; D65-K69 WeakPolarHBondContact O-CE 3.42Å; D65-K69 WeakPolarHBondContact O-CG 3.39Å; Y66-K69 PolarHBondContact O-N 2.8Å; L67-K69 PolarHBondContact O-N 2.68Å
70L92.8Very high92Very high12 Ų1259.9 Ų59.96%0.06331%0.309CS..SBendtrans-70.1142.7177.3-71.3178.2000111.2Y36 Y66 L67 K74 F78Y36-L70 HydrophobicContact CD2-CD1 4.48Å; Y36-L70 HydrophobicContact CE2-CD1 4.03Å; Y66-L70 HydrophobicContact CD1-CD1 4.41Å; Y66-L70 HydrophobicContact CE1-CD1 3.79Å; Y66-L70 HydrophobicContact CE1-CD2 4.08Å; Y66-L70 HydrophobicContact CE1-CG 4.01Å; Y66-L70 PolarHBondContact O-N 3.33Å; L67-L70 HydrophobicContact CD2-CD1 4Å; L67-L70 WeakPolarHBondContact O-CB 3.28Å; L67-L70 PolarHBondContact O-N 2.78Å; L67-L70 VanDerWaalsContact O-N 3.16Å; L70-K74 HydrophobicContact CD2-CD 4.21Å; L70-F78 WeakPolarHBondContact O-CE2 3.43Å
71P91.9Very high91.7Very high67 Ų6757.1 Ų57.144%0.43530%0.297SS..  trans-67.3147.4171.529.9-34.6000110.5S73 K74P71-S73 PolarHBondContact O-N 2.94Å; P71-K74 HydrophobicContact CG-CB 4.39Å; P71-K74 HydrophobicContact CG-CD 4.19Å; P71-K74 HydrophobicContact CG-CG 4.09Å; P71-K74 PolarHBondContact O-N 3.44Å
72K90.7Very high91.5Very high116 Ų11657.1 Ų57.150%0.50429%0.289SS..G310 helixtrans-51-29177.2-175.5163.1-173.5152.70113.9K74 L75 F78 D79K72-K74 PolarHBondContact O-N 3.35Å; K72-L75 PolarHBondContact O-N 3.49Å; K72-F78 VanDerWaalsContact CA-CD2 3.47Å; K72-F78 HydrophobicContact CB-CB 4.28Å; K72-F78 HydrophobicContact CB-CD1 4.19Å; K72-F78 HydrophobicContact CB-CD2 3.78Å; K72-F78 HydrophobicContact CB-CE1 4.5Å; K72-F78 HydrophobicContact CB-CE2 4.09Å; K72-F78 HydrophobicContact CB-CG 3.83Å; K72-F78 HydrophobicContact CB-CZ 4.45Å; K72-F78 HydrophobicContact CD-CB 4.48Å; K72-F78 HydrophobicContact CD-CD1 3.98Å; K72-F78 HydrophobicContact CD-CE1 4.49Å; K72-F78 HydrophobicContact CD-CG 4.26Å; K72-F78 HydrophobicContact CG-CB 3.93Å; K72-F78 HydrophobicContact CG-CD1 4.14Å; K72-F78 HydrophobicContact CG-CD2 4.35Å; K72-F78 HydrophobicContact CG-CG 3.89Å; K72-D79 VanDerWaalsContact NZ-CG 3.25Å; K72-D79 IonicContact NZ-OD1 2.82Å; K72-D79 PolarHBondContact NZ-OD1 2.85Å; K72-D79 IonicContact NZ-OD2 2.86Å; K72-D79 PolarHBondContact NZ-OD2 3.34Å
73S90.1Very high91.2Very high110 Ų11057.8 Ų57.877%0.76930%0.299SS*.G310 helixtrans-65.3-16.1176.357.10000115P71P71-S73 PolarHBondContact O-N 2.94Å
74K87.3Confident90.7Very high102 Ų10263.8 Ų63.844%0.44333%0.326SS..G310 helixtrans-103.3-8.4178.7-74.4-168.8172.8-1710114Y36 L70 P71 K72Y36-K74 HydrophobicContact CE2-CD 4.46Å; Y36-K74 PolarHBondContact OH-O 3.1Å; L70-K74 HydrophobicContact CD2-CD 4.21Å; P71-K74 HydrophobicContact CG-CB 4.39Å; P71-K74 HydrophobicContact CG-CD 4.19Å; P71-K74 HydrophobicContact CG-CG 4.09Å; P71-K74 PolarHBondContact O-N 3.44Å; K72-K74 PolarHBondContact O-N 3.35Å
75L88Confident90.3Very high1 Ų165.9 Ų65.91%0.00534%0.335CS..  trans-138.999.5-168.4-172.464.2000109.7L67 K72 V77 F78 V81 E152L67-L75 HydrophobicContact CD2-CD1 4.38Å; K72-L75 PolarHBondContact O-N 3.49Å; L75-V77 HydrophobicContact CD1-CG2 3.43Å; L75-V77 VanDerWaalsContact CD1-CG2 3.43Å; L75-V77 HydrophobicContact CG-CG2 3.85Å; L75-V77 PolarHBondContact O-N 2.88Å; L75-F78 HydrophobicContact CB-CB 4.3Å; L75-F78 HydrophobicContact CD2-CB 4.36Å; L75-F78 HydrophobicContact CG-CB 4.35Å; L75-F78 WeakPolarHBondContact O-CB 3.16Å; L75-F78 PolarHBondContact O-N 2.94Å; L75-V81 HydrophobicContact CD2-CB 4.15Å; L75-V81 HydrophobicContact CD2-CG1 4.29Å; L75-V81 HydrophobicContact CD2-CG2 4.07Å; L75-E152 HydrophobicContact CD1-CB 3.99Å; L75-E152 HydrophobicContact CD1-CG 3.99Å
76N88.8Confident89.7Confident128 Ų12863.3 Ų63.368%0.68432%0.321SS*.THydrogen-bonded Turntrans-67.3-21.7-179.9-59.8-59.7000112F78 E152N76-F78 VanDerWaalsContact C-N 3.29Å; N76-E152 WeakPolarHBondContact CB-OE1 3.39Å; N76-E152 VanDerWaalsContact CG-OE1 3.29Å; N76-E152 PolarHBondContact N-OE1 3.06Å; N76-E152 PolarHBondContact ND2-OE1 3.16Å
77V88Confident89.2Confident1 Ų163.5 Ų63.51%0.00633%0.325CS..THydrogen-bonded Turntrans-91.518.3174.9-59.20000112.7L75 D79 A80 V81 L91 I92 F96L75-V77 HydrophobicContact CD1-CG2 3.43Å; L75-V77 VanDerWaalsContact CD1-CG2 3.43Å; L75-V77 HydrophobicContact CG-CG2 3.85Å; L75-V77 PolarHBondContact O-N 2.88Å; V77-D79 VanDerWaalsContact C-N 3.32Å; V77-D79 PolarHBondContact O-N 3.47Å; V77-A80 PolarHBondContact O-N 2.68Å; V77-A80 VanDerWaalsContact O-N 3.12Å; V77-V81 HydrophobicContact CG2-CG2 3.92Å; V77-V81 PolarHBondContact O-N 2.76Å; V77-L91 HydrophobicContact CG1-CG 4.42Å; V77-I92 HydrophobicContact CB-CB 4.39Å; V77-I92 HydrophobicContact CB-CD1 4.16Å; V77-I92 HydrophobicContact CG1-CB 3.88Å; V77-I92 HydrophobicContact CG1-CD1 4.33Å; V77-I92 HydrophobicContact CG1-CG1 4.3Å; V77-I92 HydrophobicContact CG2-CD1 4.21Å; V77-F96 HydrophobicContact CG2-CE2 4.36Å
78F90.3Very high88.8Confident44 Ų4468.1 Ų68.119%0.19335%0.345CS..Hα-helixtrans-50.8-48.6-174.7178.9-85.2000112.9L70 K72 L75 N76 A80 V81 H82L70-F78 WeakPolarHBondContact O-CE2 3.43Å; K72-F78 VanDerWaalsContact CA-CD2 3.47Å; K72-F78 HydrophobicContact CB-CB 4.28Å; K72-F78 HydrophobicContact CB-CD1 4.19Å; K72-F78 HydrophobicContact CB-CD2 3.78Å; K72-F78 HydrophobicContact CB-CE1 4.5Å; K72-F78 HydrophobicContact CB-CE2 4.09Å; K72-F78 HydrophobicContact CB-CG 3.83Å; K72-F78 HydrophobicContact CB-CZ 4.45Å; K72-F78 HydrophobicContact CD-CB 4.48Å; K72-F78 HydrophobicContact CD-CD1 3.98Å; K72-F78 HydrophobicContact CD-CE1 4.49Å; K72-F78 HydrophobicContact CD-CG 4.26Å; K72-F78 HydrophobicContact CG-CB 3.93Å; K72-F78 HydrophobicContact CG-CD1 4.14Å; K72-F78 HydrophobicContact CG-CD2 4.35Å; K72-F78 HydrophobicContact CG-CG 3.89Å; L75-F78 HydrophobicContact CB-CB 4.3Å; L75-F78 HydrophobicContact CD2-CB 4.36Å; L75-F78 HydrophobicContact CG-CB 4.35Å; L75-F78 WeakPolarHBondContact O-CB 3.16Å; L75-F78 PolarHBondContact O-N 2.94Å; N76-F78 VanDerWaalsContact C-N 3.29Å; F78-A80 VanDerWaalsContact C-N 3.34Å; F78-A80 PolarHBondContact O-N 3.09Å; F78-V81 PolarHBondContact O-N 2.6Å; F78-H82 AromaticContact CD1-ND1 3.76Å; F78-H82 AromaticContact CD2-CE1 3.45Å; F78-H82 VanDerWaalsContact CD2-CE1 3.45Å; F78-H82 WeakPolarHBondContact CD2-CE1 3.38Å; F78-H82 AromaticContact CD2-ND1 3.81Å; F78-H82 AromaticContact CE1-CE1 3.72Å; F78-H82 AromaticContact CE1-ND1 3.68Å; F78-H82 AromaticContact CE2-CE1 3.07Å; F78-H82 WeakPolarHBondContact CE2-CE1 3.42Å; F78-H82 AromaticContact CE2-ND1 3.76Å; F78-H82 AromaticContact CE2-NE2 3.65Å; F78-H82 AromaticContact CG-CE1 3.94Å; F78-H82 AromaticContact CG-ND1 3.82Å; F78-H82 AromaticContact CZ-CE1 3.21Å; F78-H82 WeakPolarHBondContact CZ-CE1 3.28Å; F78-H82 AromaticContact CZ-ND1 3.68Å; F78-H82 AromaticContact CZ-NE2 3.43Å; F78-H82 WeakPolarHBondContact CZ-NE2 3.24Å; F78-H82 PolarHBondContact O-N 3.49Å; F78-H82 PolarHBondContact O-ND1 3.44Å
79D90.5Very high88.5Confident94 Ų9466.4 Ų66.450%0.50334%0.344SS..Hα-helixtrans-66.8-37.4-175.9-59.6-32.9000111.2K72 V77 A83K72-D79 VanDerWaalsContact NZ-CG 3.25Å; K72-D79 IonicContact NZ-OD1 2.82Å; K72-D79 PolarHBondContact NZ-OD1 2.85Å; K72-D79 IonicContact NZ-OD2 2.86Å; K72-D79 PolarHBondContact NZ-OD2 3.34Å; V77-D79 VanDerWaalsContact C-N 3.32Å; V77-D79 PolarHBondContact O-N 3.47Å; D79-A83 VanDerWaalsContact O-CB 3.29Å; D79-A83 WeakPolarHBondContact O-CB 3.45Å; D79-A83 PolarHBondContact O-N 3.4Å
80A89.1Confident88.1Confident1 Ų159.2 Ų59.21%0.00832%0.317CS..Hα-helixtrans-68.8-44.4177.200000112.1V77 F78 H82 A83 H84 E85 L91 I92V77-A80 PolarHBondContact O-N 2.68Å; V77-A80 VanDerWaalsContact O-N 3.12Å; F78-A80 VanDerWaalsContact C-N 3.34Å; F78-A80 PolarHBondContact O-N 3.09Å; A80-H82 VanDerWaalsContact C-N 3.32Å; A80-H82 PolarHBondContact O-N 3.49Å; A80-A83 CarbonylContact O-C 3.52Å; A80-A83 PolarHBondContact O-N 3.2Å; A80-A83 VanDerWaalsContact O-N 3.13Å; A80-H84 PolarHBondContact O-N 3.3Å; A80-H84 VanDerWaalsContact O-N 3.1Å; A80-E85 HydrophobicContact CB-CB 4.18Å; A80-E85 PolarHBondContact O-N 3.36Å; A80-L91 HydrophobicContact CB-CD2 4.5Å; A80-I92 HydrophobicContact CB-CG2 3.83Å
81V88.1Confident87.8Confident10 Ų1061.5 Ų61.56%0.06133%0.329CS..Hα-helixtrans-59.5-43.3175.8168.40000111.1L67 R68 L75 V77 F78 A83 H84L67-V81 HydrophobicContact CB-CG1 3.91Å; R68-V81 HydrophobicContact CG-CG1 3.86Å; L75-V81 HydrophobicContact CD2-CB 4.15Å; L75-V81 HydrophobicContact CD2-CG1 4.29Å; L75-V81 HydrophobicContact CD2-CG2 4.07Å; V77-V81 HydrophobicContact CG2-CG2 3.92Å; V77-V81 PolarHBondContact O-N 2.76Å; F78-V81 PolarHBondContact O-N 2.6Å; V81-A83 VanDerWaalsContact C-N 3.3Å; V81-A83 PolarHBondContact O-N 3.27Å; V81-H84 PolarHBondContact O-N 3.38Å
82H89.4Confident87.5Confident76 Ų7658.4 Ų58.435%0.35231%0.309SS..Hα-helixtrans-70.7-26.2177.9-7571.1000113.3R68 F78 A80 H84R68-H82 PolarHBondContact O-NE2 2.9Å; F78-H82 AromaticContact CD1-ND1 3.76Å; F78-H82 AromaticContact CD2-CE1 3.45Å; F78-H82 VanDerWaalsContact CD2-CE1 3.45Å; F78-H82 WeakPolarHBondContact CD2-CE1 3.38Å; F78-H82 AromaticContact CD2-ND1 3.81Å; F78-H82 AromaticContact CE1-CE1 3.72Å; F78-H82 AromaticContact CE1-ND1 3.68Å; F78-H82 AromaticContact CE2-CE1 3.07Å; F78-H82 WeakPolarHBondContact CE2-CE1 3.42Å; F78-H82 AromaticContact CE2-ND1 3.76Å; F78-H82 AromaticContact CE2-NE2 3.65Å; F78-H82 AromaticContact CG-CE1 3.94Å; F78-H82 AromaticContact CG-ND1 3.82Å; F78-H82 AromaticContact CZ-CE1 3.21Å; F78-H82 WeakPolarHBondContact CZ-CE1 3.28Å; F78-H82 AromaticContact CZ-ND1 3.68Å; F78-H82 AromaticContact CZ-NE2 3.43Å; F78-H82 WeakPolarHBondContact CZ-NE2 3.24Å; F78-H82 PolarHBondContact O-N 3.49Å; F78-H82 PolarHBondContact O-ND1 3.44Å; A80-H82 VanDerWaalsContact C-N 3.32Å; A80-H82 PolarHBondContact O-N 3.49Å; H82-H84 VanDerWaalsContact C-N 3.33Å
83A89.9Confident87.3Confident56 Ų5654.1 Ų54.146%0.46329%0.291SS..THydrogen-bonded Turntrans-86-0.5175.900000113.7D79 A80 V81 E85D79-A83 VanDerWaalsContact O-CB 3.29Å; D79-A83 WeakPolarHBondContact O-CB 3.45Å; D79-A83 PolarHBondContact O-N 3.4Å; A80-A83 CarbonylContact O-C 3.52Å; A80-A83 PolarHBondContact O-N 3.2Å; A80-A83 VanDerWaalsContact O-N 3.13Å; V81-A83 VanDerWaalsContact C-N 3.3Å; V81-A83 PolarHBondContact O-N 3.27Å; A83-E85 HydrophobicContact CB-CG 3.94Å; A83-E85 PolarHBondContact O-N 2.94Å
84H85Confident87.1Confident126 Ų12649 Ų4958%0.58326%0.255SS*.THydrogen-bonded Turntrans57.134.4-171.9-65.3-73.1000113.5D64 R68 A80 V81 H82D64-H84 IonicContact OD2-CE1 3.64Å; R68-H84 PolarHBondContact NH1-CE1 2.91Å; R68-H84 PolarHBondContact NH1-NE2 3.24Å; A80-H84 PolarHBondContact O-N 3.3Å; A80-H84 VanDerWaalsContact O-N 3.1Å; V81-H84 PolarHBondContact O-N 3.38Å; H82-H84 VanDerWaalsContact C-N 3.33Å
85E84.7Confident86.8Confident89 Ų8944.7 Ų44.742%0.41624%0.24SC..  trans-93.7104.9174.9-66.8-176.916000109.9A80 A83A80-E85 HydrophobicContact CB-CB 4.18Å; A80-E85 PolarHBondContact O-N 3.36Å; A83-E85 HydrophobicContact CB-CG 3.94Å; A83-E85 PolarHBondContact O-N 2.94Å
86D82.4Confident86.9Confident22 Ų2245.7 Ų45.712%0.11824%0.244CC..SBendtrans-72.2-37.3175.6-173.445.7000111.5F2 G94F2-D86 HydrophobicContact CE2-CB 3.77Å; F2-D86 HydrophobicContact CZ-CB 3.98Å; D86-G94 WeakPolarHBondContact O-CA 3.38Å; D86-G94 PolarHBondContact O-N 2.84Å; D86-G94 WeakPolarHBondContact OD1-CA 3.23Å
87V84.8Confident86.9Confident29 Ų2941 Ų4118%0.17622%0.22CC..EExtended strand (participates in β ladder)trans-125.1115.7179.8-1770000111.2F6 I92F6-V87 HydrophobicContact CD1-CG1 4.36Å; F6-V87 HydrophobicContact CE1-CG1 4.14Å; V87-I92 CarbonylContact C-O 3.6Å; V87-I92 WeakPolarHBondContact CA-O 3.42Å
88K86.1Confident87Confident100 Ų10041.9 Ų41.944%0.43523%0.225SC..EExtended strand (participates in β ladder)trans-125.2109.6162.3-178.6166.4173.6178.30108.9G90 L91 I92K88-G90 PolarHBondContact O-N 3.04Å; K88-L91 HydrophobicContact CB-CB 4.29Å; K88-L91 HydrophobicContact CD-CB 4.44Å; K88-L91 HydrophobicContact CD-CD2 3.8Å; K88-L91 HydrophobicContact CG-CB 4.17Å; K88-L91 HydrophobicContact CG-CD2 4.4Å; K88-L91 PolarHBondContact O-N 2.91Å; K88-I92 CarbonylContact C-O 3.5Å; K88-I92 HydrophobicContact CB-CG2 3.95Å; K88-I92 PolarHBondContact N-O 3.02Å; K88-I92 PolarHBondContact O-N 3.04Å
89P86.1Confident86.9Confident44 Ų4442.1 Ų42.129%0.28623%0.225SC..THydrogen-bonded Turntrans-44.5126.9-175.2-33.436.8000114.4V21 L91 E93 R214V21-P89 HydrophobicContact CB-CB 4.3Å; V21-P89 VanDerWaalsContact CG1-C 3.48Å; V21-P89 HydrophobicContact CG1-CB 3.61Å; V21-P89 HydrophobicContact CG2-CB 3.64Å; P89-L91 PolarHBondContact O-N 2.91Å; P89-E93 WeakPolarHBondContact CA-OE1 3.36Å; P89-R214 VanDerWaalsContact CB-NH1 3.29Å
90G85.9Confident87Confident15 Ų1541.5 Ų41.516%0.15522%0.221CC..THydrogen-bonded Turntrans74.9-8.2179.400000115.6K88 E93 Y149K88-G90 PolarHBondContact O-N 3.04Å; G90-E93 PolarHBondContact N-OE1 2.68Å; G90-Y149 WeakPolarHBondContact O-CE1 3.46Å; G90-Y149 PolarHBondContact O-OH 2.64Å
91L86.8Confident87.2Confident60 Ų6041.5 Ų41.531%0.31422%0.221SC..THydrogen-bonded Turntrans-108.8-57.6176.6-178.667.1000112V77 A80 K88 P89 N150V77-L91 HydrophobicContact CG1-CG 4.42Å; A80-L91 HydrophobicContact CB-CD2 4.5Å; K88-L91 HydrophobicContact CB-CB 4.29Å; K88-L91 HydrophobicContact CD-CB 4.44Å; K88-L91 HydrophobicContact CD-CD2 3.8Å; K88-L91 HydrophobicContact CG-CB 4.17Å; K88-L91 HydrophobicContact CG-CD2 4.4Å; K88-L91 PolarHBondContact O-N 2.91Å; P89-L91 PolarHBondContact O-N 2.91Å; L91-N150 PolarHBondContact O-ND2 3.23Å
92I85.4Confident87.6Confident3 Ų341.4 Ų41.42%0.01522%0.221CC..EExtended strand (participates in β ladder)trans-136.2122175.5-170.8171.8000107.5V77 A80 V87 K88 G94 F96 N150V77-I92 HydrophobicContact CB-CB 4.39Å; V77-I92 HydrophobicContact CB-CD1 4.16Å; V77-I92 HydrophobicContact CG1-CB 3.88Å; V77-I92 HydrophobicContact CG1-CD1 4.33Å; V77-I92 HydrophobicContact CG1-CG1 4.3Å; V77-I92 HydrophobicContact CG2-CD1 4.21Å; A80-I92 HydrophobicContact CB-CG2 3.83Å; V87-I92 CarbonylContact C-O 3.6Å; V87-I92 WeakPolarHBondContact CA-O 3.42Å; K88-I92 CarbonylContact C-O 3.5Å; K88-I92 HydrophobicContact CB-CG2 3.95Å; K88-I92 PolarHBondContact N-O 3.02Å; K88-I92 PolarHBondContact O-N 3.04Å; I92-G94 VanDerWaalsContact C-N 3.34Å; I92-F96 HydrophobicContact CD1-CD2 4.14Å; I92-F96 HydrophobicContact CD1-CE2 4.34Å; I92-N150 WeakPolarHBondContact CA-OD1 3.31Å
93E86Confident88Confident25 Ų2540.3 Ų40.312%0.11722%0.215CC..EExtended strand (participates in β ladder)trans-105.232.8-176.8-67.5-70.3177.300110.3Y23 P89 G90 Y149 N150 Y213 R214Y23-E93 VanDerWaalsContact CE1-OE1 3.23Å; Y23-E93 WeakPolarHBondContact CE1-OE1 3.34Å; Y23-E93 PolarHBondContact OH-OE1 3.33Å; P89-E93 WeakPolarHBondContact CA-OE1 3.36Å; G90-E93 PolarHBondContact N-OE1 2.68Å; E93-Y149 HydrophobicContact CB-CD1 4.26Å; E93-Y149 HydrophobicContact CB-CG 4.48Å; E93-Y149 HydrophobicContact CG-CD1 3.81Å; E93-Y149 HydrophobicContact CG-CE1 4.24Å; E93-Y149 HydrophobicContact CG-CG 4.15Å; E93-N150 PolarHBondContact N-OD1 2.89Å; E93-Y213 WeakPolarHBondContact CB-OH 3.45Å; E93-Y213 PolarHBondContact OE2-OH 3.48Å; E93-Y213 VanDerWaalsContact OE2-OH 3.06Å; E93-R214 IonicContact OE1-NH1 3.26Å; E93-R214 PolarHBondContact OE1-NH1 3.45Å; E93-R214 VanDerWaalsContact OE1-NH1 3.13Å; E93-R214 IonicContact OE2-NH1 3.9Å; E93-R214 PolarHBondContact OE2-NH1 2.72Å
94G85.8Confident88.3Confident3 Ų339 Ų393%0.03120%0.2CC..  trans91.9-148.7-170.600000112.7D86 I92D86-G94 WeakPolarHBondContact O-CA 3.38Å; D86-G94 PolarHBondContact O-N 2.84Å; D86-G94 WeakPolarHBondContact OD1-CA 3.23Å; I92-G94 VanDerWaalsContact C-N 3.34Å
95G82.4Confident88.9Confident11 Ų1133 Ų3311%0.11317%0.173CC..  trans103-13.3166.400000115.2G128 V153 W157G95-G128 WeakPolarHBondContact O-CA 3.41Å; G95-V153 VanDerWaalsContact O-CG1 3.3Å; G95-V153 WeakPolarHBondContact O-CG1 3.34Å; G95-W157 WeakPolarHBondContact O-CZ3 3.23Å
96F88.8Confident89.5Confident22 Ų2228.8 Ų28.810%0.09615%0.153CC..SBendtrans-99.2-0.9171.2-68.1-60.5000114.1E60 L63 L67 V77 I92 E152 V153 C156 W157E60-F96 WeakPolarHBondContact CG-O 3.14Å; L63-F96 HydrophobicContact CD2-CD1 3.8Å; L63-F96 HydrophobicContact CD2-CE1 4.37Å; L67-F96 HydrophobicContact CD1-CD1 3.6Å; L67-F96 HydrophobicContact CD1-CD2 3.9Å; L67-F96 HydrophobicContact CD1-CE1 3.58Å; L67-F96 HydrophobicContact CD1-CE2 3.89Å; L67-F96 HydrophobicContact CD1-CG 3.76Å; L67-F96 HydrophobicContact CD1-CZ 3.72Å; L67-F96 HydrophobicContact CD2-CE1 4.22Å; L67-F96 HydrophobicContact CD2-CZ 4.11Å; V77-F96 HydrophobicContact CG2-CE2 4.36Å; I92-F96 HydrophobicContact CD1-CD2 4.14Å; I92-F96 HydrophobicContact CD1-CE2 4.34Å; F96-E152 HydrophobicContact CZ-CB 4.29Å; F96-V153 HydrophobicContact CD1-CG2 4.28Å; F96-V153 HydrophobicContact CD2-CG2 4.13Å; F96-V153 HydrophobicContact CE1-CB 4.36Å; F96-V153 HydrophobicContact CE1-CG2 3.97Å; F96-V153 HydrophobicContact CE2-CG2 3.81Å; F96-V153 HydrophobicContact CG-CG2 4.36Å; F96-V153 HydrophobicContact CZ-CB 4.39Å; F96-V153 HydrophobicContact CZ-CG2 3.73Å; F96-C156 HydrophobicContact CE1-CB 4.24Å; F96-W157 VanDerWaalsContact C-CZ3 3.47Å; F96-W157 WeakPolarHBondContact O-CH2 3.45Å
97T90.2Very high90.2Very high31 Ų3130.2 Ų30.219%0.1916%0.161CC..SBendtrans-105134.4173-71.40000112E60 W99E60-T97 WeakPolarHBondContact OE1-CA 3.48Å; E60-T97 WeakPolarHBondContact OE1-CB 3.44Å; E60-T97 PolarHBondContact OE1-OG1 3.31Å; E60-T97 WeakPolarHBondContact OE2-CA 3.14Å; T97-W99 HydrophobicContact CG2-CD2 4.22Å; T97-W99 HydrophobicContact CG2-CZ2 4.18Å; T97-W99 VanDerWaalsContact O-CD1 3.23Å; T97-W99 PolarHBondContact O-N 3.2Å
98L89.9Confident90.7Very high19 Ų1929.9 Ų29.910%0.09916%0.156CC..  trans-87.998.6179177.655.6000109.7Y57 E60 C129 L131 W157Y57-L98 HydrophobicContact CD1-CD2 4.16Å; Y57-L98 HydrophobicContact CD2-CD2 4.1Å; Y57-L98 HydrophobicContact CE1-CD2 3.65Å; Y57-L98 HydrophobicContact CE2-CD2 3.63Å; Y57-L98 HydrophobicContact CG-CD2 4.36Å; E60-L98 PolarHBondContact OE2-N 3.17Å; L98-C129 HydrophobicContact CD1-CB 3.86Å; L98-L131 HydrophobicContact CD1-CD1 3.83Å; L98-L131 HydrophobicContact CD1-CG 4.45Å; L98-L131 HydrophobicContact CD2-CD1 4.02Å; L98-W157 HydrophobicContact CB-CH2 3.78Å; L98-W157 HydrophobicContact CB-CZ2 4.17Å
99W88.7Confident91.2Very high49 Ų4925.1 Ų25.119%0.18614%0.136CC..  trans-74.6143.1-179.7-61.496.2000113.4F2 F4 T97 G101 S102 E210F2-W99 HydrophobicContact CB-CH2 4.28Å; F2-W99 HydrophobicContact CB-CZ3 4.35Å; F2-W99 AromaticContact CD1-CH2 3.47Å; F2-W99 HydrophobicContact CD1-CH2 3.47Å; F2-W99 VanDerWaalsContact CD1-CH2 3.47Å; F2-W99 HydrophobicContact CD1-CZ2 4.48Å; F2-W99 HydrophobicContact CD1-CZ3 4.16Å; F2-W99 AromaticContact CD2-CH2 3.82Å; F2-W99 HydrophobicContact CD2-CH2 3.82Å; F2-W99 HydrophobicContact CD2-CZ2 4.44Å; F2-W99 AromaticContact CE1-CH2 3.57Å; F2-W99 HydrophobicContact CE1-CH2 3.57Å; F2-W99 HydrophobicContact CE1-CZ2 4.2Å; F2-W99 AromaticContact CE2-CH2 3.9Å; F2-W99 HydrophobicContact CE2-CH2 3.9Å; F2-W99 HydrophobicContact CE2-CZ2 4.15Å; F2-W99 AromaticContact CG-CH2 3.59Å; F2-W99 HydrophobicContact CG-CH2 3.59Å; F2-W99 HydrophobicContact CG-CZ3 4.15Å; F2-W99 AromaticContact CZ-CH2 3.77Å; F2-W99 HydrophobicContact CZ-CH2 3.77Å; F2-W99 HydrophobicContact CZ-CZ2 4.01Å; F4-W99 HydrophobicContact CE1-CH2 4.26Å; F4-W99 HydrophobicContact CE1-CZ2 4.5Å; F4-W99 AromaticContact CZ-CH2 3.87Å; F4-W99 HydrophobicContact CZ-CH2 3.87Å; F4-W99 HydrophobicContact CZ-CZ2 4.41Å; F4-W99 HydrophobicContact CZ-CZ3 4.33Å; T97-W99 HydrophobicContact CG2-CD2 4.22Å; T97-W99 HydrophobicContact CG2-CZ2 4.18Å; T97-W99 VanDerWaalsContact O-CD1 3.23Å; T97-W99 PolarHBondContact O-N 3.2Å; W99-G101 PolarHBondContact O-N 3.33Å; W99-G101 VanDerWaalsContact O-N 3.09Å; W99-S102 WeakPolarHBondContact O-CB 3.48Å; W99-S102 PolarHBondContact O-N 2.96Å; W99-E210 HydrophobicContact CB-CG 3.75Å; W99-E210 HydrophobicContact CD2-CG 4.45Å; W99-E210 HydrophobicContact CG-CG 4.02Å
100D92Very high91.7Very high81 Ų8123.4 Ų23.443%0.43313%0.125SC..Hα-helixtrans-51.7-34.4174.1-74.1-25.9000112.8S102 K103 D104 R276D100-S102 PolarHBondContact O-N 3.29Å; D100-K103 PolarHBondContact O-N 3.48Å; D100-K103 VanDerWaalsContact O-N 3.12Å; D100-D104 WeakPolarHBondContact O-CB 3.36Å; D100-D104 PolarHBondContact O-N 2.93Å; D100-R276 IonicContact OD2-CZ 3.73Å; D100-R276 IonicContact OD2-NH1 3.51Å; D100-R276 PolarHBondContact OD2-NH1 3.48Å
101G93.9Very high92.2Very high1 Ų129.3 Ų29.31%0.0115%0.146CC..Hα-helixtrans-57-36.1178.200000113.3W99 L105 S209 A238W99-G101 PolarHBondContact O-N 3.33Å; W99-G101 VanDerWaalsContact O-N 3.09Å; G101-L105 VanDerWaalsContact O-CB 3.28Å; G101-L105 WeakPolarHBondContact O-CB 3.17Å; G101-L105 PolarHBondContact O-N 2.85Å; G101-S209 PolarHBondContact O-OG 3.31Å; G101-A238 WeakPolarHBondContact O-CB 3.19Å
102S96.1Very high92.6Very high8 Ų831.5 Ų31.56%0.05615%0.151CC..Hα-helixtrans-65.8-44.1176.6-174.40000111.4W99 D100 L105 V106 P132 S209W99-S102 WeakPolarHBondContact O-CB 3.48Å; W99-S102 PolarHBondContact O-N 2.96Å; D100-S102 PolarHBondContact O-N 3.29Å; S102-L105 PolarHBondContact O-N 2.84Å; S102-V106 WeakPolarHBondContact O-CG2 3.33Å; S102-V106 PolarHBondContact O-N 2.79Å; S102-P132 WeakPolarHBondContact OG-CD 3.45Å; S102-S209 WeakPolarHBondContact CA-OG 3.45Å
103K96.4Very high93.1Very high53 Ų5332 Ų3223%0.2315%0.153CC..Hα-helixtrans-66.4-43.3177-64.8179.5-179.6176.80111.7D100 L105 V106 N107D100-K103 PolarHBondContact O-N 3.48Å; D100-K103 VanDerWaalsContact O-N 3.12Å; K103-L105 VanDerWaalsContact C-N 3.31Å; K103-L105 PolarHBondContact O-N 3.39Å; K103-V106 PolarHBondContact O-N 2.93Å; K103-N107 PolarHBondContact O-N 3.34Å; K103-N107 PolarHBondContact O-ND2 2.82Å
104D96.3Very high93.3Very high28 Ų2833.3 Ų33.315%0.1517%0.165CC..Hα-helixtrans-58.5-44.1174.3-81.9-14.6000111.3D100 N107 Y108 L269 R276D100-D104 WeakPolarHBondContact O-CB 3.36Å; D100-D104 PolarHBondContact O-N 2.93Å; D104-N107 PolarHBondContact O-N 2.98Å; D104-Y108 WeakPolarHBondContact O-CB 3.41Å; D104-Y108 PolarHBondContact O-N 3.35Å; D104-L269 HydrophobicContact CB-CD1 3.53Å; D104-R276 IonicContact OD1-NH2 3.56Å; D104-R276 WeakPolarHBondContact OD2-CD 3.47Å; D104-R276 IonicContact OD2-CZ 2.74Å; D104-R276 IonicContact OD2-NE 3.59Å; D104-R276 PolarHBondContact OD2-NE 3.21Å; D104-R276 IonicContact OD2-NH2 3.78Å
105L97.6Very high93.6Very high0 Ų036.7 Ų36.70%020%0.2CC..Hα-helixtrans-64.6-44.9178.4-17352.8000111.7G101 S102 K103 N107 Y108 I109 P132 F207 S209 L236 A238 I278G101-L105 VanDerWaalsContact O-CB 3.28Å; G101-L105 WeakPolarHBondContact O-CB 3.17Å; G101-L105 PolarHBondContact O-N 2.85Å; S102-L105 PolarHBondContact O-N 2.84Å; K103-L105 VanDerWaalsContact C-N 3.31Å; K103-L105 PolarHBondContact O-N 3.39Å; L105-N107 VanDerWaalsContact C-N 3.34Å; L105-N107 PolarHBondContact O-N 3.35Å; L105-Y108 PolarHBondContact O-N 2.78Å; L105-I109 HydrophobicContact CD1-CD1 3.88Å; L105-I109 HydrophobicContact CD1-CG1 4.08Å; L105-I109 HydrophobicContact CG-CD1 3.68Å; L105-I109 HydrophobicContact CG-CG1 4.36Å; L105-I109 WeakPolarHBondContact O-CB 3.23Å; L105-I109 WeakPolarHBondContact O-CD1 3.3Å; L105-I109 WeakPolarHBondContact O-CG1 3.37Å; L105-I109 PolarHBondContact O-N 3.27Å; L105-P132 HydrophobicContact CB-CG 4.35Å; L105-P132 HydrophobicContact CD2-CB 4.26Å; L105-P132 HydrophobicContact CD2-CG 3.96Å; L105-P132 HydrophobicContact CG-CG 4.24Å; L105-F207 HydrophobicContact CD2-CB 3.89Å; L105-S209 WeakPolarHBondContact CD2-OG 3.5Å; L105-L236 HydrophobicContact CD1-CB 3.72Å; L105-L236 HydrophobicContact CD1-CD1 4.49Å; L105-A238 HydrophobicContact CB-CB 3.94Å; L105-A238 HydrophobicContact CD2-CB 4.5Å; L105-I278 HydrophobicContact CD1-CD1 4.07Å
106V97.7Very high94.3Very high0 Ų041.6 Ų41.60%022%0.218CC..Hα-helixtrans-57.1-47.1174.2169.40000111.2I49 L55 S102 K103 Y108 I109 S110 L131 P132 F135I49-V106 HydrophobicContact CD1-CG1 3.93Å; I49-V106 HydrophobicContact CG1-CG1 3.84Å; L55-V106 HydrophobicContact CD1-CG1 3.74Å; L55-V106 HydrophobicContact CD1-CG2 4.01Å; S102-V106 WeakPolarHBondContact O-CG2 3.33Å; S102-V106 PolarHBondContact O-N 2.79Å; K103-V106 PolarHBondContact O-N 2.93Å; V106-Y108 VanDerWaalsContact C-N 3.33Å; V106-Y108 PolarHBondContact O-N 2.96Å; V106-I109 PolarHBondContact O-N 3.37Å; V106-S110 VanDerWaalsContact O-CB 3.28Å; V106-S110 WeakPolarHBondContact O-CB 3.26Å; V106-S110 PolarHBondContact O-N 2.9Å; V106-L131 HydrophobicContact CG2-CB 3.89Å; V106-P132 HydrophobicContact CG2-CG 4.12Å; V106-F135 HydrophobicContact CG1-CB 4.45Å; V106-F135 HydrophobicContact CG1-CD2 4.24Å; V106-F135 HydrophobicContact CG1-CG 4.34Å
107N96.5Very high94.6Very high53 Ų5340.6 Ų40.628%0.28321%0.214SC..Hα-helixtrans-62.8-41.2179.3-72.6-24.5000111.8H47 K103 D104 L105 K111H47-N107 PolarHBondContact NE2-OD1 2.84Å; K103-N107 PolarHBondContact O-N 3.34Å; K103-N107 PolarHBondContact O-ND2 2.82Å; D104-N107 PolarHBondContact O-N 2.98Å; L105-N107 VanDerWaalsContact C-N 3.34Å; L105-N107 PolarHBondContact O-N 3.35Å; N107-K111 WeakPolarHBondContact O-CB 3.41Å; N107-K111 PolarHBondContact O-N 3.12Å; N107-K111 VanDerWaalsContact O-N 3.1Å
108Y96.7Very high94.8Very high21 Ų2142.9 Ų42.98%0.08223%0.23CC..Hα-helixtrans-65.5-46.3176.5-172.9-94000112.1D104 L105 V106 K111 Y112 F113 L236 F267 L269 I278D104-Y108 WeakPolarHBondContact O-CB 3.41Å; D104-Y108 PolarHBondContact O-N 3.35Å; L105-Y108 PolarHBondContact O-N 2.78Å; V106-Y108 VanDerWaalsContact C-N 3.33Å; V106-Y108 PolarHBondContact O-N 2.96Å; Y108-K111 PolarHBondContact O-N 2.82Å; Y108-Y112 HydrophobicContact CD1-CD2 4.26Å; Y108-Y112 AromaticContact CD2-CD2 3.6Å; Y108-Y112 HydrophobicContact CD2-CD2 3.6Å; Y108-Y112 AromaticContact CD2-CE2 3.6Å; Y108-Y112 HydrophobicContact CD2-CE2 3.6Å; Y108-Y112 HydrophobicContact CE1-CD2 4.21Å; Y108-Y112 AromaticContact CE2-CD2 3.5Å; Y108-Y112 HydrophobicContact CE2-CD2 3.5Å; Y108-Y112 VanDerWaalsContact CE2-CD2 3.5Å; Y108-Y112 AromaticContact CE2-CE2 3.49Å; Y108-Y112 HydrophobicContact CE2-CE2 3.49Å; Y108-Y112 VanDerWaalsContact CE2-CE2 3.49Å; Y108-Y112 AromaticContact CG-CD2 3.97Å; Y108-Y112 HydrophobicContact CG-CD2 3.97Å; Y108-Y112 HydrophobicContact CG-CE2 4.38Å; Y108-Y112 AromaticContact CZ-CD2 3.82Å; Y108-Y112 VanDerWaalsContact O-CD2 3.27Å; Y108-Y112 WeakPolarHBondContact O-CD2 3.43Å; Y108-Y112 PolarHBondContact O-N 2.81Å; Y108-F113 HydrophobicContact CD1-CD2 4.47Å; Y108-F113 HydrophobicContact CD1-CE2 4.26Å; Y108-F113 HydrophobicContact CE1-CD2 4.27Å; Y108-F113 AromaticContact CE1-CE2 3.63Å; Y108-F113 HydrophobicContact CE1-CE2 3.63Å; Y108-L236 HydrophobicContact CD1-CD1 4.29Å; Y108-L236 HydrophobicContact CE1-CD1 4.34Å; Y108-L236 HydrophobicContact CE1-CD2 4.08Å; Y108-F267 HydrophobicContact CE2-CB 4.45Å; Y108-F267 HydrophobicContact CE2-CG 4.36Å; Y108-F267 WeakPolarHBondContact OH-CD2 3.34Å; Y108-F267 WeakPolarHBondContact OH-CE2 3.45Å; Y108-L269 HydrophobicContact CD2-CD2 4.41Å; Y108-I278 HydrophobicContact CD1-CG1 4.29Å; Y108-I278 HydrophobicContact CD1-CG2 4.03Å; Y108-I278 HydrophobicContact CD2-CB 4.49Å; Y108-I278 HydrophobicContact CD2-CG1 3.92Å; Y108-I278 HydrophobicContact CE1-CG2 3.87Å; Y108-I278 HydrophobicContact CE2-CG1 4.41Å; Y108-I278 HydrophobicContact CG-CG1 3.87Å; Y108-I278 HydrophobicContact CG-CG2 4.43Å
109I96.9Very high95.1Very high0 Ų043.7 Ų43.70%024%0.243CC..Hα-helixtrans-62.2-47.2177.4-66.7161.9000110.2L105 V106 K111 Y112 F113 S114 M117 P132 F135 F207 L236L105-I109 HydrophobicContact CD1-CD1 3.88Å; L105-I109 HydrophobicContact CD1-CG1 4.08Å; L105-I109 HydrophobicContact CG-CD1 3.68Å; L105-I109 HydrophobicContact CG-CG1 4.36Å; L105-I109 WeakPolarHBondContact O-CB 3.23Å; L105-I109 WeakPolarHBondContact O-CD1 3.3Å; L105-I109 WeakPolarHBondContact O-CG1 3.37Å; L105-I109 PolarHBondContact O-N 3.27Å; V106-I109 PolarHBondContact O-N 3.37Å; I109-K111 VanDerWaalsContact C-N 3.27Å; I109-K111 PolarHBondContact O-N 2.63Å; I109-Y112 PolarHBondContact O-N 3.26Å; I109-F113 HydrophobicContact CG2-CB 4.04Å; I109-F113 CarbonylContact O-C 3.55Å; I109-F113 VanDerWaalsContact O-CA 3.32Å; I109-F113 WeakPolarHBondContact O-CA 3.34Å; I109-F113 WeakPolarHBondContact O-CB 3.49Å; I109-F113 PolarHBondContact O-N 2.82Å; I109-S114 PolarHBondContact O-N 3.37Å; I109-M117 HydrophobicContact CG2-CE 3.26Å; I109-M117 HydrophobicContact CG2-SD 3.77Å; I109-P132 HydrophobicContact CD1-CB 4.31Å; I109-F135 HydrophobicContact CB-CD1 4.35Å; I109-F135 HydrophobicContact CB-CE1 4.47Å; I109-F135 HydrophobicContact CG2-CD1 3.66Å; I109-F135 HydrophobicContact CG2-CE1 3.73Å; I109-F207 HydrophobicContact CD1-CD1 3.81Å; I109-F207 HydrophobicContact CD1-CD2 3.74Å; I109-F207 HydrophobicContact CD1-CE1 3.7Å; I109-F207 HydrophobicContact CD1-CE2 3.6Å; I109-F207 HydrophobicContact CD1-CG 3.85Å; I109-F207 HydrophobicContact CD1-CZ 3.6Å; I109-F207 HydrophobicContact CG1-CE1 4.07Å; I109-F207 HydrophobicContact CG1-CZ 4.09Å; I109-F207 HydrophobicContact CG2-CZ 4.23Å; I109-L236 HydrophobicContact CG1-CD1 3.88Å
110S96.2Very high95.5Very high8 Ų845.1 Ų45.16%0.05625%0.251CS..Hα-helixtrans-55.3-44177.9179.90000112I49 V106 S114I49-S110 WeakPolarHBondContact CG2-OG 3.39Å; V106-S110 VanDerWaalsContact O-CB 3.28Å; V106-S110 WeakPolarHBondContact O-CB 3.26Å; V106-S110 PolarHBondContact O-N 2.9Å; S110-S114 VanDerWaalsContact O-CB 3.28Å; S110-S114 WeakPolarHBondContact O-CB 3.5Å; S110-S114 PolarHBondContact O-OG 3.02Å
111K95.6Very high95.8Very high139 Ų13942 Ų4260%0.60423%0.234SC*.Hα-helixtrans-71-38-178.5-173.2173.5178.8-1700114.2N107 Y108 I109N107-K111 WeakPolarHBondContact O-CB 3.41Å; N107-K111 PolarHBondContact O-N 3.12Å; N107-K111 VanDerWaalsContact O-N 3.1Å; Y108-K111 PolarHBondContact O-N 2.82Å; I109-K111 VanDerWaalsContact C-N 3.27Å; I109-K111 PolarHBondContact O-N 2.63Å
112Y96.1Very high96Very high107 Ų10742 Ų4242%0.4223%0.234SC..Hα-helixtrans-118-15.7-167.3-61.3-69.2000115.3Y108 I109 K116Y108-Y112 HydrophobicContact CD1-CD2 4.26Å; Y108-Y112 AromaticContact CD2-CD2 3.6Å; Y108-Y112 HydrophobicContact CD2-CD2 3.6Å; Y108-Y112 AromaticContact CD2-CE2 3.6Å; Y108-Y112 HydrophobicContact CD2-CE2 3.6Å; Y108-Y112 HydrophobicContact CE1-CD2 4.21Å; Y108-Y112 AromaticContact CE2-CD2 3.5Å; Y108-Y112 HydrophobicContact CE2-CD2 3.5Å; Y108-Y112 VanDerWaalsContact CE2-CD2 3.5Å; Y108-Y112 AromaticContact CE2-CE2 3.49Å; Y108-Y112 HydrophobicContact CE2-CE2 3.49Å; Y108-Y112 VanDerWaalsContact CE2-CE2 3.49Å; Y108-Y112 AromaticContact CG-CD2 3.97Å; Y108-Y112 HydrophobicContact CG-CD2 3.97Å; Y108-Y112 HydrophobicContact CG-CE2 4.38Å; Y108-Y112 AromaticContact CZ-CD2 3.82Å; Y108-Y112 VanDerWaalsContact O-CD2 3.27Å; Y108-Y112 WeakPolarHBondContact O-CD2 3.43Å; Y108-Y112 PolarHBondContact O-N 2.81Å; I109-Y112 PolarHBondContact O-N 3.26Å; Y112-K116 PolarHBondContact O-NZ 2.72Å
113F95.9Very high96.1Very high13 Ų1341.6 Ų41.66%0.05723%0.231CC..THydrogen-bonded Turntrans-134.4-7.2-168.9-66.3-91.3000115Y108 I109 G115 K116 Y205 I234 L236Y108-F113 HydrophobicContact CD1-CD2 4.47Å; Y108-F113 HydrophobicContact CD1-CE2 4.26Å; Y108-F113 HydrophobicContact CE1-CD2 4.27Å; Y108-F113 AromaticContact CE1-CE2 3.63Å; Y108-F113 HydrophobicContact CE1-CE2 3.63Å; I109-F113 HydrophobicContact CG2-CB 4.04Å; I109-F113 CarbonylContact O-C 3.55Å; I109-F113 VanDerWaalsContact O-CA 3.32Å; I109-F113 WeakPolarHBondContact O-CA 3.34Å; I109-F113 WeakPolarHBondContact O-CB 3.49Å; I109-F113 PolarHBondContact O-N 2.82Å; F113-G115 PolarHBondContact O-N 3.5Å; F113-K116 HydrophobicContact CD1-CD 4.16Å; F113-K116 WeakPolarHBondContact O-CA 3.41Å; F113-K116 WeakPolarHBondContact O-CB 2.98Å; F113-K116 PolarHBondContact O-N 3.43Å; F113-Y205 AromaticContact CD1-CE1 3.69Å; F113-Y205 HydrophobicContact CD1-CE1 3.69Å; F113-Y205 HydrophobicContact CE1-CE1 4.04Å; F113-I234 HydrophobicContact CE1-CD1 3.99Å; F113-L236 HydrophobicContact CD2-CD1 4Å; F113-L236 HydrophobicContact CE2-CD1 3.95Å; F113-L236 HydrophobicContact CE2-CD2 4.36Å; F113-L236 HydrophobicContact CG-CD1 4.44Å; F113-L236 HydrophobicContact CZ-CD1 4.28Å; F113-L236 HydrophobicContact CZ-CD2 4.28Å
114S90.5Very high96.2Very high52 Ų5239.1 Ų39.136%0.36422%0.22SC..G310 helixtrans-47.3-53.8-179.148.40000113.1I109 S110 K116I109-S114 PolarHBondContact O-N 3.37Å; S110-S114 VanDerWaalsContact O-CB 3.28Å; S110-S114 WeakPolarHBondContact O-CB 3.5Å; S110-S114 PolarHBondContact O-OG 3.02Å; S114-K116 PolarHBondContact O-N 3.25Å; S114-K116 VanDerWaalsContact O-N 3.11Å
115G91.8Very high96.3Very high75 Ų7537.8 Ų37.877%0.77321%0.213SC*.G310 helixtrans-734.9178.200000116.1F113F113-G115 PolarHBondContact O-N 3.5Å
116K95.9Very high96.3Very high114 Ų11439 Ų3950%0.49623%0.225SC..G310 helixtrans-115-1.9-174.1-56.3178.1-177.9154.70114.1Y112 F113 S114 K120 Y205Y112-K116 PolarHBondContact O-NZ 2.72Å; F113-K116 HydrophobicContact CD1-CD 4.16Å; F113-K116 WeakPolarHBondContact O-CA 3.41Å; F113-K116 WeakPolarHBondContact O-CB 2.98Å; F113-K116 PolarHBondContact O-N 3.43Å; S114-K116 PolarHBondContact O-N 3.25Å; S114-K116 VanDerWaalsContact O-N 3.11Å; K116-K120 WeakPolarHBondContact O-CG 3.36Å; K116-Y205 VanDerWaalsContact CB-OH 3.28Å; K116-Y205 WeakPolarHBondContact CB-OH 3.3Å; K116-Y205 PolarHBondContact O-OH 3.2Å
117M95.1Very high96.4Very high0 Ų039.1 Ų39.10%023%0.226CC..  trans-98-13.7-177-69.7-175.9-7400113.8I109 G119 K120 F135 A136 A139 A141 Y205 F207I109-M117 HydrophobicContact CG2-CE 3.26Å; I109-M117 HydrophobicContact CG2-SD 3.77Å; M117-G119 PolarHBondContact O-N 3.27Å; M117-K120 VanDerWaalsContact O-CB 3.23Å; M117-K120 WeakPolarHBondContact O-CB 3.39Å; M117-K120 WeakPolarHBondContact O-CG 3.2Å; M117-K120 PolarHBondContact O-N 3.09Å; M117-F135 HydrophobicContact CE-CD1 3.72Å; M117-F135 HydrophobicContact CE-CE1 3.59Å; M117-A136 HydrophobicContact SD-CB 4Å; M117-A139 HydrophobicContact CB-CB 4.04Å; M117-A139 HydrophobicContact CE-CB 3.48Å; M117-A139 VanDerWaalsContact CE-CB 3.48Å; M117-A141 WeakPolarHBondContact O-CA 3.49Å; M117-Y205 HydrophobicContact CG-CD2 4.05Å; M117-Y205 HydrophobicContact CG-CE2 3.89Å; M117-F207 HydrophobicContact SD-CE2 3.99Å; M117-F207 HydrophobicContact SD-CZ 3.71Å
118C95.5Very high96.4Very high80 Ų8037 Ų3754%0.54122%0.216SC..THydrogen-bonded Turntrans-55.6125.4178.1-1740000111.1K120 A139 G140C118-K120 VanDerWaalsContact C-N 3.26Å; C118-K120 PolarHBondContact O-N 2.86Å; C118-A139 PolarHBondContact N-O 3Å; C118-G140 CarbonylContact C-O 3.38Å; C118-G140 VanDerWaalsContact CA-O 3.3Å; C118-G140 WeakPolarHBondContact CA-O 3.35Å
119G95.7Very high96.4Very high36 Ų3636.1 Ų36.137%0.37121%0.214SC..THydrogen-bonded Turntrans747.2-179.300000115.6M117 G140M117-G119 PolarHBondContact O-N 3.27Å; G119-G140 PolarHBondContact N-O 2.9Å
120K97.5Very high96.4Very high79 Ų7936.1 Ų36.134%0.34321%0.214SC..  trans-93.8158.6-176.2-58.7-55.8-1671690113.2K116 M117 C118 A141 R142 L143 D204 Y205K116-K120 WeakPolarHBondContact O-CG 3.36Å; M117-K120 VanDerWaalsContact O-CB 3.23Å; M117-K120 WeakPolarHBondContact O-CB 3.39Å; M117-K120 WeakPolarHBondContact O-CG 3.2Å; M117-K120 PolarHBondContact O-N 3.09Å; C118-K120 VanDerWaalsContact C-N 3.26Å; C118-K120 PolarHBondContact O-N 2.86Å; K120-A141 CarbonylContact O-C 3.54Å; K120-R142 PolarHBondContact O-N 3.12Å; K120-L143 PolarHBondContact O-N 3.47Å; K120-D204 HydrophobicContact CB-CB 4.05Å; K120-D204 HydrophobicContact CD-CB 4.18Å; K120-D204 HydrophobicContact CG-CB 4.41Å; K120-D204 IonicContact NZ-OD1 2.67Å; K120-Y205 HydrophobicContact CB-CD2 4.26Å; K120-Y205 HydrophobicContact CB-CE2 4.21Å; K120-Y205 HydrophobicContact CG-CE2 4.04Å
121N97.9Very high96.5Very high15 Ų1535.8 Ų35.88%0.0821%0.211CC..EExtended strand (participates in β ladder)trans-93.2123.2170.2-58.1-24.6000108.9R142 L143 V201 K202 F203 D204 Y205N121-R142 PolarHBondContact ND2-NH2 3.35Å; N121-R142 PolarHBondContact OD1-NE 3Å; N121-R142 PolarHBondContact OD1-NH2 2.85Å; N121-L143 WeakPolarHBondContact CA-O 3.34Å; N121-L143 HydrophobicContact CB-CB 4.43Å; N121-L143 HydrophobicContact CB-CD2 4.46Å; N121-V201 HydrophobicContact CB-CG1 4Å; N121-V201 WeakPolarHBondContact ND2-CG1 3.38Å; N121-K202 PolarHBondContact ND2-O 2.69Å; N121-F203 HydrophobicContact CB-CD1 3.93Å; N121-D204 PolarHBondContact N-OD2 3.28Å; N121-D204 PolarHBondContact O-N 3.07Å; N121-Y205 PolarHBondContact O-N 3.46Å
122V98.5Very high96.7Very high0 Ų029.1 Ų29.10%018%0.182CC..EExtended strand (participates in β ladder)trans-120.5137.9-178.8-177.50000110.1A136 A141 L143 V144 R145 F203 Y205 F207V122-A136 HydrophobicContact CB-CB 4.06Å; V122-A136 HydrophobicContact CG1-CB 3.84Å; V122-A136 HydrophobicContact CG2-CB 3.98Å; V122-A141 HydrophobicContact CG2-CB 4.01Å; V122-L143 PolarHBondContact N-O 2.88Å; V122-V144 HydrophobicContact CB-CG2 4.4Å; V122-V144 CarbonylContact O-C 3.57Å; V122-V144 WeakPolarHBondContact O-CA 3.41Å; V122-R145 PolarHBondContact O-N 3.35Å; V122-F203 WeakPolarHBondContact O-CE1 3.43Å; V122-Y205 WeakPolarHBondContact CA-O 3.39Å; V122-Y205 HydrophobicContact CG2-CD2 4.19Å; V122-F207 HydrophobicContact CG1-CD2 3.61Å; V122-F207 HydrophobicContact CG1-CE2 3.38Å; V122-F207 HydrophobicContact CG1-CG 4.43Å; V122-F207 HydrophobicContact CG1-CZ 4.03Å
123L98.7Very high96.8Very high0 Ų024 Ų240%016%0.162CC..EExtended strand (participates in β ladder)trans-119131171.8169.765.4000109.1L125 R145 Q147 W195 F203 Y205 I206 F207L123-L125 HydrophobicContact CD1-CD2 4.09Å; L123-L125 HydrophobicContact CD1-CG 4.35Å; L123-L125 HydrophobicContact CD2-CD1 4.11Å; L123-L125 HydrophobicContact CD2-CD2 3.78Å; L123-L125 HydrophobicContact CD2-CG 3.7Å; L123-L125 HydrophobicContact CG-CD2 4.07Å; L123-L125 HydrophobicContact CG-CG 3.85Å; L123-R145 CarbonylContact C-O 3.52Å; L123-R145 WeakPolarHBondContact CA-O 3.31Å; L123-R145 HydrophobicContact CD1-CB 3.92Å; L123-R145 HydrophobicContact CD1-CG 3.91Å; L123-R145 WeakPolarHBondContact CD1-O 3.42Å; L123-Q147 HydrophobicContact CD1-CB 4.25Å; L123-W195 HydrophobicContact CD1-CH2 4.01Å; L123-W195 HydrophobicContact CD1-CZ3 4.31Å; L123-W195 HydrophobicContact CD2-CH2 4.41Å; L123-W195 HydrophobicContact CD2-CZ3 3.88Å; L123-F203 HydrophobicContact CB-CB 4.26Å; L123-F203 HydrophobicContact CB-CD1 3.57Å; L123-F203 HydrophobicContact CB-CD2 3.76Å; L123-F203 HydrophobicContact CB-CE1 3.74Å; L123-F203 HydrophobicContact CB-CE2 3.93Å; L123-F203 HydrophobicContact CB-CG 3.57Å; L123-F203 HydrophobicContact CB-CZ 3.91Å; L123-F203 HydrophobicContact CD1-CZ 4.39Å; L123-F203 HydrophobicContact CD2-CD2 3.87Å; L123-F203 HydrophobicContact CD2-CE2 3.87Å; L123-F203 HydrophobicContact CD2-CG 4.49Å; L123-F203 HydrophobicContact CD2-CZ 4.48Å; L123-F203 HydrophobicContact CG-CD2 4.42Å; L123-F203 HydrophobicContact CG-CE2 4.34Å; L123-F203 HydrophobicContact CG-CZ 4.49Å; L123-Y205 PolarHBondContact N-O 3.47Å; L123-I206 HydrophobicContact CB-CG1 4.26Å; L123-I206 HydrophobicContact CB-CG2 4.48Å; L123-I206 HydrophobicContact CD2-CD1 4.24Å; L123-I206 HydrophobicContact CD2-CG1 4.21Å; L123-I206 HydrophobicContact CD2-CG2 4.16Å; L123-I206 HydrophobicContact CG-CG2 4.28Å; L123-I206 CarbonylContact O-C 3.58Å; L123-I206 WeakPolarHBondContact O-CA 3.04Å; L123-F207 PolarHBondContact O-N 3.02Å
124E98.8Very high96.8Very high2 Ų223.6 Ų23.61%0.00916%0.16CC..EExtended strand (participates in β ladder)trans-105.7111.4165-169.4178.5-177.600109.6C127 G130 P132 G133 R145 F146 Q147 F207E124-C127 HydrophobicContact CB-CB 4.09Å; E124-C127 HydrophobicContact CG-CB 3.67Å; E124-G130 VanDerWaalsContact OE2-C 3.23Å; E124-G130 VanDerWaalsContact OE2-CA 3.3Å; E124-G130 WeakPolarHBondContact OE2-CA 3.39Å; E124-P132 HydrophobicContact CG-CB 4.34Å; E124-P132 WeakPolarHBondContact OE1-CD 3.02Å; E124-P132 VanDerWaalsContact OE1-CG 3.29Å; E124-P132 WeakPolarHBondContact OE1-CG 3.21Å; E124-G133 VanDerWaalsContact OE2-CA 3.32Å; E124-G133 WeakPolarHBondContact OE2-CA 3.44Å; E124-G133 PolarHBondContact OE2-N 2.63Å; E124-R145 PolarHBondContact N-O 2.88Å; E124-F146 HydrophobicContact CB-CD1 4.4Å; E124-Q147 PolarHBondContact O-N 3.05Å; E124-F207 CarbonylContact C-O 3.54Å; E124-F207 WeakPolarHBondContact CA-O 3.41Å; E124-F207 HydrophobicContact CG-CB 4.41Å
125L98.3Very high97.1Very high0 Ų021.5 Ų21.50%015%0.145CC..EExtended strand (participates in β ladder)trans-95.3128.5178.4-74.7175.5000111.1L123 Q147 I206 F207 T208 I224 L225L123-L125 HydrophobicContact CD1-CD2 4.09Å; L123-L125 HydrophobicContact CD1-CG 4.35Å; L123-L125 HydrophobicContact CD2-CD1 4.11Å; L123-L125 HydrophobicContact CD2-CD2 3.78Å; L123-L125 HydrophobicContact CD2-CG 3.7Å; L123-L125 HydrophobicContact CG-CD2 4.07Å; L123-L125 HydrophobicContact CG-CG 3.85Å; L125-Q147 HydrophobicContact CD2-CB 4Å; L125-Q147 HydrophobicContact CD2-CG 3.99Å; L125-I206 HydrophobicContact CD1-CG2 3.68Å; L125-I206 HydrophobicContact CG-CG2 4Å; L125-F207 PolarHBondContact N-O 2.92Å; L125-T208 WeakPolarHBondContact O-CA 3.17Å; L125-T208 WeakPolarHBondContact O-CB 3.43Å; L125-T208 PolarHBondContact O-OG1 3.5Å; L125-I224 HydrophobicContact CD1-CG1 4.38Å; L125-I224 HydrophobicContact CD1-CG2 3.68Å; L125-I224 HydrophobicContact CD2-CD1 3.71Å; L125-I224 HydrophobicContact CD2-CG1 4.18Å; L125-I224 HydrophobicContact CD2-CG2 4.43Å; L125-L225 HydrophobicContact CD1-CD2 3.72Å; L125-L225 HydrophobicContact CD1-CG 4.48Å
126G97.6Very high97.3Very high24 Ų2418 Ų1825%0.24711%0.108CC..SBendtrans64.856.3-171.200000110.5Q147G126-Q147 CarbonylContact C-O 3.59Å; G126-Q147 WeakPolarHBondContact CA-O 3.21Å; G126-Q147 PolarHBondContact N-O 3.04Å
127C98Very high97.3Very high4 Ų413 Ų133%0.0279%0.087CC..  trans-76.4-30.8-164.763.40000114E124 C129 G130 F146 Q147 L154E124-C127 HydrophobicContact CB-CB 4.09Å; E124-C127 HydrophobicContact CG-CB 3.67Å; C127-C129 PolarHBondContact O-N 3.26Å; C127-G130 PolarHBondContact O-N 3.49Å; C127-F146 HydrophobicContact CB-CB 4.46Å; C127-F146 HydrophobicContact CB-CD1 4.22Å; C127-Q147 PolarHBondContact N-O 2.87Å; C127-Q147 VanDerWaalsContact SG-C 3.57Å; C127-Q147 PolarHBondContact SG-O 2.93Å; C127-L154 WeakPolarHBondContact SG-CD2 3.48Å
128G96.9Very high97.3Very high7 Ų715.2 Ų15.27%0.07210%0.097CC..THydrogen-bonded Turntrans50.6-112.2-176.500000112.2G95 G130 D148 T158G95-G128 WeakPolarHBondContact O-CA 3.41Å; G128-G130 VanDerWaalsContact C-N 3.28Å; G128-G130 PolarHBondContact O-N 2.88Å; G128-D148 PolarHBondContact N-OD2 2.87Å; G128-D148 VanDerWaalsContact N-OD2 3.08Å; G128-T158 PolarHBondContact O-OG1 2.9Å
129C97Very high97.2Very high4 Ų412.6 Ų12.63%0.0278%0.081CC..THydrogen-bonded Turntrans-60.4-31.3174.9-170.60000114.3Y57 L98 C127 L131 W157 N161Y57-C129 WeakPolarHBondContact CB-SG 3.28Å; L98-C129 HydrophobicContact CD1-CB 3.86Å; C127-C129 PolarHBondContact O-N 3.26Å; C129-L131 HydrophobicContact CB-CG 4.35Å; C129-W157 VanDerWaalsContact CA-CE3 3.5Å; C129-W157 HydrophobicContact CB-CD2 4.05Å; C129-W157 HydrophobicContact CB-CE3 3.9Å; C129-W157 HydrophobicContact CB-CH2 3.69Å; C129-W157 HydrophobicContact CB-CZ2 3.81Å; C129-W157 HydrophobicContact CB-CZ3 3.71Å; C129-N161 PolarHBondContact O-ND2 3.01Å; C129-N161 PolarHBondContact SG-ND2 2.87Å
130G98.1Very high97.1Very high0 Ų011.3 Ų11.30%07%0.068CC..  trans84.219.5177.100000115.9E124 C127 G128 G133 I134 F146E124-G130 VanDerWaalsContact OE2-C 3.23Å; E124-G130 VanDerWaalsContact OE2-CA 3.3Å; E124-G130 WeakPolarHBondContact OE2-CA 3.39Å; C127-G130 PolarHBondContact O-N 3.49Å; G128-G130 VanDerWaalsContact C-N 3.28Å; G128-G130 PolarHBondContact O-N 2.88Å; G130-G133 PolarHBondContact O-N 3.5Å; G130-I134 WeakPolarHBondContact O-CB 3.42Å; G130-I134 WeakPolarHBondContact O-CD1 3.15Å; G130-I134 WeakPolarHBondContact O-CG1 3.28Å; G130-I134 PolarHBondContact O-N 3.32Å; G130-F146 WeakPolarHBondContact O-CE1 3.3Å
131L97.9Very high97Very high0 Ų07.6 Ų7.60%05%0.052CC..Hα-helixtrans-62.4-49.1-171.9-62.6-177000113.9H47 L55 Y57 L98 V106 C129 G133 I134 F135H47-L131 HydrophobicContact CB-CD1 4.18Å; L55-L131 HydrophobicContact CB-CD2 3.96Å; L55-L131 HydrophobicContact CD1-CB 4.18Å; L55-L131 HydrophobicContact CD1-CD2 4.44Å; Y57-L131 HydrophobicContact CD1-CD1 4.19Å; Y57-L131 HydrophobicContact CD1-CD2 4.02Å; Y57-L131 HydrophobicContact CE1-CD1 4.4Å; L98-L131 HydrophobicContact CD1-CD1 3.83Å; L98-L131 HydrophobicContact CD1-CG 4.45Å; L98-L131 HydrophobicContact CD2-CD1 4.02Å; V106-L131 HydrophobicContact CG2-CB 3.89Å; C129-L131 HydrophobicContact CB-CG 4.35Å; L131-G133 VanDerWaalsContact C-N 3.34Å; L131-G133 PolarHBondContact O-N 3.23Å; L131-I134 PolarHBondContact O-N 3.47Å; L131-F135 PolarHBondContact O-N 3.4Å
132P98.3Very high96.9Very high0 Ų013.3 Ų13.30%07%0.072CC..Hα-helixtrans-52.1-45.3173.1-28.928.9000114.5S102 L105 V106 I109 E124 F135 A136 F207S102-P132 WeakPolarHBondContact OG-CD 3.45Å; L105-P132 HydrophobicContact CB-CG 4.35Å; L105-P132 HydrophobicContact CD2-CB 4.26Å; L105-P132 HydrophobicContact CD2-CG 3.96Å; L105-P132 HydrophobicContact CG-CG 4.24Å; V106-P132 HydrophobicContact CG2-CG 4.12Å; I109-P132 HydrophobicContact CD1-CB 4.31Å; E124-P132 HydrophobicContact CG-CB 4.34Å; E124-P132 WeakPolarHBondContact OE1-CD 3.02Å; E124-P132 VanDerWaalsContact OE1-CG 3.29Å; E124-P132 WeakPolarHBondContact OE1-CG 3.21Å; P132-F135 WeakPolarHBondContact O-CB 3.45Å; P132-F135 PolarHBondContact O-N 2.89Å; P132-A136 PolarHBondContact O-N 3.38Å; P132-F207 HydrophobicContact CB-CB 4.01Å; P132-F207 HydrophobicContact CB-CD2 3.86Å; P132-F207 HydrophobicContact CB-CG 4.25Å
133G98.3Very high96.9Very high0 Ų013.5 Ų13.50%07%0.073CC..Hα-helixtrans-68.6-41.2178.100000111.8E124 G130 L131 F135 A136 V137E124-G133 VanDerWaalsContact OE2-CA 3.32Å; E124-G133 WeakPolarHBondContact OE2-CA 3.44Å; E124-G133 PolarHBondContact OE2-N 2.63Å; G130-G133 PolarHBondContact O-N 3.5Å; L131-G133 VanDerWaalsContact C-N 3.34Å; L131-G133 PolarHBondContact O-N 3.23Å; G133-F135 VanDerWaalsContact C-N 3.28Å; G133-F135 PolarHBondContact O-N 3.46Å; G133-A136 WeakPolarHBondContact O-CA 3.18Å; G133-A136 VanDerWaalsContact O-CB 3.29Å; G133-A136 WeakPolarHBondContact O-CB 3.27Å; G133-A136 PolarHBondContact O-N 2.71Å; G133-V137 WeakPolarHBondContact O-CG2 3.39Å; G133-V137 PolarHBondContact O-N 3.16Å
134I97.5Very high96.8Very high3 Ų313.5 Ų13.52%0.0157%0.073CC..Hα-helixtrans-61-38.8173.9-69.4164.5000111L55 G130 L131 A136 V137 K138 F146 N161 V162 N165L55-I134 HydrophobicContact CD2-CG2 4.12Å; G130-I134 WeakPolarHBondContact O-CB 3.42Å; G130-I134 WeakPolarHBondContact O-CD1 3.15Å; G130-I134 WeakPolarHBondContact O-CG1 3.28Å; G130-I134 PolarHBondContact O-N 3.32Å; L131-I134 PolarHBondContact O-N 3.47Å; I134-A136 VanDerWaalsContact C-N 3.31Å; I134-A136 PolarHBondContact O-N 2.87Å; I134-V137 WeakPolarHBondContact O-CB 3.41Å; I134-V137 PolarHBondContact O-N 3.41Å; I134-K138 PolarHBondContact O-N 2.85Å; I134-K138 VanDerWaalsContact O-N 3.11Å; I134-F146 HydrophobicContact CG1-CE1 4.34Å; I134-F146 HydrophobicContact CG1-CZ 4.23Å; I134-N161 HydrophobicContact CD1-CB 3.67Å; I134-V162 HydrophobicContact CD1-CG2 4.34Å; I134-V162 HydrophobicContact CG1-CG2 3.96Å; I134-N165 HydrophobicContact CG2-CB 3.56Å
135F96.3Very high96.8Very high9 Ų913.6 Ų13.64%0.0397%0.073CC..Hα-helixtrans-62.3-40.2173-172.8-99.2000111.6I49 L55 V106 I109 M117 L131 P132 G133 V137 K138 A139I49-F135 HydrophobicContact CD1-CD2 3.53Å; I49-F135 HydrophobicContact CD1-CE2 3.68Å; I49-F135 HydrophobicContact CG2-CE2 4.5Å; L55-F135 HydrophobicContact CD1-CB 4.01Å; L55-F135 HydrophobicContact CD1-CD2 4.43Å; L55-F135 HydrophobicContact CD2-CD2 4.46Å; V106-F135 HydrophobicContact CG1-CB 4.45Å; V106-F135 HydrophobicContact CG1-CD2 4.24Å; V106-F135 HydrophobicContact CG1-CG 4.34Å; I109-F135 HydrophobicContact CB-CD1 4.35Å; I109-F135 HydrophobicContact CB-CE1 4.47Å; I109-F135 HydrophobicContact CG2-CD1 3.66Å; I109-F135 HydrophobicContact CG2-CE1 3.73Å; M117-F135 HydrophobicContact CE-CD1 3.72Å; M117-F135 HydrophobicContact CE-CE1 3.59Å; L131-F135 PolarHBondContact O-N 3.4Å; P132-F135 WeakPolarHBondContact O-CB 3.45Å; P132-F135 PolarHBondContact O-N 2.89Å; G133-F135 VanDerWaalsContact C-N 3.28Å; G133-F135 PolarHBondContact O-N 3.46Å; F135-V137 VanDerWaalsContact C-N 3.35Å; F135-V137 PolarHBondContact O-N 3.47Å; F135-K138 PolarHBondContact O-N 2.84Å; F135-A139 WeakPolarHBondContact O-CB 3.37Å; F135-A139 PolarHBondContact O-N 3.01Å
136A96.6Very high96.8Very high0 Ų013.6 Ų13.60%07%0.073CC..Hα-helixtrans-62.9-39175.600000112.8M117 V122 P132 G133 I134 A139 G140 A141 V144 F207M117-A136 HydrophobicContact SD-CB 4Å; V122-A136 HydrophobicContact CB-CB 4.06Å; V122-A136 HydrophobicContact CG1-CB 3.84Å; V122-A136 HydrophobicContact CG2-CB 3.98Å; P132-A136 PolarHBondContact O-N 3.38Å; G133-A136 WeakPolarHBondContact O-CA 3.18Å; G133-A136 VanDerWaalsContact O-CB 3.29Å; G133-A136 WeakPolarHBondContact O-CB 3.27Å; G133-A136 PolarHBondContact O-N 2.71Å; I134-A136 VanDerWaalsContact C-N 3.31Å; I134-A136 PolarHBondContact O-N 2.87Å; A136-A139 CarbonylContact O-C 3.55Å; A136-A139 PolarHBondContact O-N 3.42Å; A136-G140 PolarHBondContact O-N 3.26Å; A136-A141 HydrophobicContact CB-CB 4.2Å; A136-A141 WeakPolarHBondContact O-CB 3.31Å; A136-A141 PolarHBondContact O-N 3.29Å; A136-V144 HydrophobicContact CB-CG2 4.03Å; A136-F207 HydrophobicContact CB-CE2 4.19Å
137V95.9Very high96.8Very high10 Ų1012.4 Ų12.46%0.0616%0.061CC..Hα-helixtrans-56.8-53.1172.2178.80000109.7G133 I134 F135 A139 G140 V144 F146 T179 L181G133-V137 WeakPolarHBondContact O-CG2 3.39Å; G133-V137 PolarHBondContact O-N 3.16Å; I134-V137 WeakPolarHBondContact O-CB 3.41Å; I134-V137 PolarHBondContact O-N 3.41Å; F135-V137 VanDerWaalsContact C-N 3.35Å; F135-V137 PolarHBondContact O-N 3.47Å; V137-A139 PolarHBondContact O-N 2.86Å; V137-G140 PolarHBondContact O-N 2.75Å; V137-V144 HydrophobicContact CG2-CB 3.98Å; V137-V144 HydrophobicContact CG2-CG1 4.33Å; V137-V144 HydrophobicContact CG2-CG2 3.68Å; V137-F146 HydrophobicContact CG2-CZ 4.49Å; V137-T179 HydrophobicContact CB-CG2 4.44Å; V137-T179 HydrophobicContact CG1-CG2 4.19Å; V137-T179 HydrophobicContact CG2-CG2 4.07Å; V137-L181 HydrophobicContact CG2-CD2 3.71Å
138K93.4Very high96.8Very high47 Ų4712.7 Ų12.720%0.2046%0.062CC..Hα-helixtrans-61-28.8177.6-74.3-170.8167.562.60113.5L55 I134 F135 G140 N165L55-K138 HydrophobicContact CD2-CD 3.79Å; I134-K138 PolarHBondContact O-N 2.85Å; I134-K138 VanDerWaalsContact O-N 3.11Å; F135-K138 PolarHBondContact O-N 2.84Å; K138-G140 PolarHBondContact O-N 2.63Å; K138-N165 VanDerWaalsContact NZ-CB 3.3Å; K138-N165 PolarHBondContact NZ-O 2.81Å; K138-N165 PolarHBondContact NZ-OD1 3.27Å
139A93.5Very high96.8Very high24 Ų2413.9 Ų13.920%0.1987%0.065CC..THydrogen-bonded Turntrans-81.88.6175.800000113.6M117 C118 F135 A136 V137M117-A139 HydrophobicContact CB-CB 4.04Å; M117-A139 HydrophobicContact CE-CB 3.48Å; M117-A139 VanDerWaalsContact CE-CB 3.48Å; C118-A139 PolarHBondContact N-O 3Å; F135-A139 WeakPolarHBondContact O-CB 3.37Å; F135-A139 PolarHBondContact O-N 3.01Å; A136-A139 CarbonylContact O-C 3.55Å; A136-A139 PolarHBondContact O-N 3.42Å; V137-A139 PolarHBondContact O-N 2.86Å
140G93.6Very high96.8Very high9 Ų914.2 Ų14.29%0.0937%0.066CC..THydrogen-bonded Turntrans77.426.7174.400000114.3C118 G119 A136 V137 K138C118-G140 CarbonylContact C-O 3.38Å; C118-G140 VanDerWaalsContact CA-O 3.3Å; C118-G140 WeakPolarHBondContact CA-O 3.35Å; G119-G140 PolarHBondContact N-O 2.9Å; A136-G140 PolarHBondContact O-N 3.26Å; V137-G140 PolarHBondContact O-N 2.75Å; K138-G140 PolarHBondContact O-N 2.63Å
141A96.6Very high96.7Very high1 Ų114.5 Ų14.51%0.0087%0.068CC..  trans-53.8141.8171.400000110.9M117 K120 V122 A136 V144 T179M117-A141 WeakPolarHBondContact O-CA 3.49Å; K120-A141 CarbonylContact O-C 3.54Å; V122-A141 HydrophobicContact CG2-CB 4.01Å; A136-A141 HydrophobicContact CB-CB 4.2Å; A136-A141 WeakPolarHBondContact O-CB 3.31Å; A136-A141 PolarHBondContact O-N 3.29Å; A141-V144 HydrophobicContact CB-CG2 3.58Å; A141-T179 WeakPolarHBondContact O-CG2 3.43Å; A141-T179 PolarHBondContact O-OG1 3.08Å
142R96Very high96.6Very high136 Ų13615 Ų1551%0.5137%0.071SC..SBendtrans-72.4-42.2177.3173.6179.462.2-159.7-6.5111.3K120 N121 Q180K120-R142 PolarHBondContact O-N 3.12Å; N121-R142 PolarHBondContact ND2-NH2 3.35Å; N121-R142 PolarHBondContact OD1-NE 3Å; N121-R142 PolarHBondContact OD1-NH2 2.85Å; R142-Q180 PolarHBondContact O-N 3.5Å
143L96.6Very high96.5Very high3 Ų315 Ų152%0.0167%0.071CC..EExtended strand (participates in β ladder)trans-135129.9-179.6169.368.9000107.7K120 N121 V122 Q180 E182 V201 F203K120-L143 PolarHBondContact O-N 3.47Å; N121-L143 WeakPolarHBondContact CA-O 3.34Å; N121-L143 HydrophobicContact CB-CB 4.43Å; N121-L143 HydrophobicContact CB-CD2 4.46Å; V122-L143 PolarHBondContact N-O 2.88Å; L143-Q180 WeakPolarHBondContact CA-O 3.42Å; L143-Q180 HydrophobicContact CB-CB 4.48Å; L143-Q180 HydrophobicContact CD1-CB 3.82Å; L143-Q180 HydrophobicContact CD1-CG 3.65Å; L143-Q180 WeakPolarHBondContact CD1-O 3.39Å; L143-E182 HydrophobicContact CD1-CG 3.93Å; L143-V201 HydrophobicContact CD2-CB 4.03Å; L143-V201 HydrophobicContact CD2-CG1 3.64Å; L143-V201 HydrophobicContact CD2-CG2 4.16Å; L143-F203 HydrophobicContact CD2-CE1 4.15Å
144V98.2Very high96.5Very high0 Ų015 Ų150%07%0.071CC..EExtended strand (participates in β ladder)trans-121.7117.5167.2-174.40000108.8V122 A136 V137 A141 F146 T179 Q180 L181 E182V122-V144 HydrophobicContact CB-CG2 4.4Å; V122-V144 CarbonylContact O-C 3.57Å; V122-V144 WeakPolarHBondContact O-CA 3.41Å; A136-V144 HydrophobicContact CB-CG2 4.03Å; V137-V144 HydrophobicContact CG2-CB 3.98Å; V137-V144 HydrophobicContact CG2-CG1 4.33Å; V137-V144 HydrophobicContact CG2-CG2 3.68Å; A141-V144 HydrophobicContact CB-CG2 3.58Å; V144-F146 HydrophobicContact CB-CE2 4.07Å; V144-F146 HydrophobicContact CB-CZ 4.5Å; V144-F146 HydrophobicContact CG1-CD2 4.05Å; V144-F146 HydrophobicContact CG1-CE1 4.24Å; V144-F146 HydrophobicContact CG1-CE2 3.42Å; V144-F146 VanDerWaalsContact CG1-CE2 3.42Å; V144-F146 HydrophobicContact CG1-CZ 3.54Å; V144-T179 HydrophobicContact CB-CG2 4.33Å; V144-T179 HydrophobicContact CG2-CG2 3.82Å; V144-Q180 PolarHBondContact N-O 2.86Å; V144-L181 HydrophobicContact CB-CD2 4.32Å; V144-E182 PolarHBondContact O-N 3.21Å; V144-E182 VanDerWaalsContact O-N 3.09Å
145R98Very high96.5Very high4 Ų416.6 Ų16.62%0.0158%0.078CC..EExtended strand (participates in β ladder)trans-102.4125.2173.2-172.7176.5-67.1159.5-0.1109.3V122 L123 E124 E182 F184 N200 F203V122-R145 PolarHBondContact O-N 3.35Å; L123-R145 CarbonylContact C-O 3.52Å; L123-R145 WeakPolarHBondContact CA-O 3.31Å; L123-R145 HydrophobicContact CD1-CB 3.92Å; L123-R145 HydrophobicContact CD1-CG 3.91Å; L123-R145 WeakPolarHBondContact CD1-O 3.42Å; E124-R145 PolarHBondContact N-O 2.88Å; R145-E182 CarbonylContact C-O 3.52Å; R145-E182 WeakPolarHBondContact CA-O 3.49Å; R145-E182 HydrophobicContact CB-CB 4.3Å; R145-E182 HydrophobicContact CG-CB 4.04Å; R145-E182 IonicContact CZ-OE2 3.83Å; R145-E182 IonicContact NE-OE2 2.64Å; R145-E182 PolarHBondContact NE-OE2 2.78Å; R145-E182 IonicContact NH2-OE2 3.44Å; R145-E182 PolarHBondContact NH2-OE2 2.89Å; R145-F184 HydrophobicContact CG-CD2 3.75Å; R145-F184 HydrophobicContact CG-CE2 4.21Å; R145-N200 PolarHBondContact NH1-ND2 3.38Å; R145-N200 PolarHBondContact NH1-OD1 3.06Å; R145-N200 PolarHBondContact NH2-OD1 2.94Å; R145-F203 HydrophobicContact CB-CE1 3.84Å; R145-F203 HydrophobicContact CB-CZ 3.8Å; R145-F203 HydrophobicContact CG-CZ 4.38Å
146F98.7Very high96.6Very high0 Ų016.2 Ų16.20%08%0.076CC..EExtended strand (participates in β ladder)trans-102.1135.3173.6-62.9-92.5000109.2E124 C127 G130 I134 V137 V144 T158 V162 L181 E182 F183 F184E124-F146 HydrophobicContact CB-CD1 4.4Å; C127-F146 HydrophobicContact CB-CB 4.46Å; C127-F146 HydrophobicContact CB-CD1 4.22Å; G130-F146 WeakPolarHBondContact O-CE1 3.3Å; I134-F146 HydrophobicContact CG1-CE1 4.34Å; I134-F146 HydrophobicContact CG1-CZ 4.23Å; V137-F146 HydrophobicContact CG2-CZ 4.49Å; V144-F146 HydrophobicContact CB-CE2 4.07Å; V144-F146 HydrophobicContact CB-CZ 4.5Å; V144-F146 HydrophobicContact CG1-CD2 4.05Å; V144-F146 HydrophobicContact CG1-CE1 4.24Å; V144-F146 HydrophobicContact CG1-CE2 3.42Å; V144-F146 VanDerWaalsContact CG1-CE2 3.42Å; V144-F146 HydrophobicContact CG1-CZ 3.54Å; F146-T158 HydrophobicContact CB-CG2 3.95Å; F146-T158 HydrophobicContact CD1-CG2 3.63Å; F146-T158 HydrophobicContact CE1-CG2 4.31Å; F146-T158 HydrophobicContact CG-CG2 3.88Å; F146-V162 HydrophobicContact CD2-CG2 4.47Å; F146-V162 HydrophobicContact CE1-CG2 4.3Å; F146-V162 HydrophobicContact CE2-CG2 3.87Å; F146-V162 HydrophobicContact CZ-CG2 3.77Å; F146-L181 HydrophobicContact CE2-CD2 4.01Å; F146-E182 PolarHBondContact N-O 3.02Å; F146-F183 HydrophobicContact CB-CD1 3.72Å; F146-F183 HydrophobicContact CB-CE1 4.09Å; F146-F183 AromaticContact CD2-CD1 3.94Å; F146-F183 HydrophobicContact CD2-CD1 3.94Å; F146-F183 AromaticContact CD2-CE1 3.5Å; F146-F183 HydrophobicContact CD2-CE1 3.5Å; F146-F183 HydrophobicContact CD2-CZ 4.1Å; F146-F183 HydrophobicContact CE2-CE1 4.15Å; F146-F183 HydrophobicContact CE2-CZ 4.46Å; F146-F183 HydrophobicContact CG-CD1 4.09Å; F146-F183 AromaticContact CG-CE1 3.93Å; F146-F183 HydrophobicContact CG-CE1 3.93Å; F146-F183 CarbonylContact O-C 3.58Å; F146-F183 WeakPolarHBondContact O-CA 3.01Å; F146-F184 PolarHBondContact O-N 2.82Å
147Q98.3Very high96.6Very high0 Ų016.2 Ų16.20%08%0.076CC..EExtended strand (participates in β ladder)trans-134.1133.4179.4-177.9-77.4-36.400111.1L123 E124 L125 G126 C127 F184 G186 L191 W195L123-Q147 HydrophobicContact CD1-CB 4.25Å; E124-Q147 PolarHBondContact O-N 3.05Å; L125-Q147 HydrophobicContact CD2-CB 4Å; L125-Q147 HydrophobicContact CD2-CG 3.99Å; G126-Q147 CarbonylContact C-O 3.59Å; G126-Q147 WeakPolarHBondContact CA-O 3.21Å; G126-Q147 PolarHBondContact N-O 3.04Å; C127-Q147 PolarHBondContact N-O 2.87Å; C127-Q147 VanDerWaalsContact SG-C 3.57Å; C127-Q147 PolarHBondContact SG-O 2.93Å; Q147-F184 VanDerWaalsContact CA-O 3.27Å; Q147-F184 WeakPolarHBondContact CA-O 3.37Å; Q147-G186 PolarHBondContact NE2-O 3.13Å; Q147-L191 HydrophobicContact CG-CD1 3.5Å; Q147-L191 VanDerWaalsContact CG-CD1 3.5Å; Q147-W195 HydrophobicContact CG-CH2 4.49Å
148D98.2Very high96.7Very high9 Ų915.8 Ų15.85%0.0487%0.073CC..EExtended strand (participates in β ladder)trans-137160.7170.6-158.2-79.8000110.1G128 N150 V153 L154 F184 S185 G186G128-D148 PolarHBondContact N-OD2 2.87Å; G128-D148 VanDerWaalsContact N-OD2 3.08Å; D148-N150 VanDerWaalsContact C-N 3.35Å; D148-N150 PolarHBondContact OD1-N 2.71Å; D148-V153 HydrophobicContact CB-CB 4.42Å; D148-V153 HydrophobicContact CB-CG1 4.26Å; D148-L154 HydrophobicContact CB-CD2 3.64Å; D148-L154 HydrophobicContact CB-CG 3.91Å; D148-F184 PolarHBondContact N-O 3.09Å; D148-S185 CarbonylContact O-C 3.51Å; D148-S185 WeakPolarHBondContact O-CA 3.25Å; D148-G186 PolarHBondContact O-N 3.04Å
149Y96.9Very high97Very high32 Ų3213.5 Ų13.513%0.1256%0.064CC..SBendtrans-66.8-42.5173.1-177-113.5000110.4Y23 S24 G90 E93 G186 D187Y23-Y149 HydrophobicContact CD1-CE2 4.15Å; S24-Y149 PolarHBondContact N-OH 2.82Å; S24-Y149 VanDerWaalsContact N-OH 3.07Å; G90-Y149 WeakPolarHBondContact O-CE1 3.46Å; G90-Y149 PolarHBondContact O-OH 2.64Å; E93-Y149 HydrophobicContact CB-CD1 4.26Å; E93-Y149 HydrophobicContact CB-CG 4.48Å; E93-Y149 HydrophobicContact CG-CD1 3.81Å; E93-Y149 HydrophobicContact CG-CE1 4.24Å; E93-Y149 HydrophobicContact CG-CG 4.15Å; Y149-G186 PolarHBondContact O-N 3.38Å; Y149-D187 HydrophobicContact CD2-CB 4.38Å; Y149-D187 HydrophobicContact CE2-CB 4.02Å
150N96Very high97.2Very high11 Ų1112.4 Ų12.46%0.0596%0.055CC..  trans-98.4125.6-172.5-67.5101.2000111.8L91 I92 E93 D148 E152 V153 L154L91-N150 PolarHBondContact O-ND2 3.23Å; I92-N150 WeakPolarHBondContact CA-OD1 3.31Å; E93-N150 PolarHBondContact N-OD1 2.89Å; D148-N150 VanDerWaalsContact C-N 3.35Å; D148-N150 PolarHBondContact OD1-N 2.71Å; N150-E152 PolarHBondContact O-N 3.08Å; N150-V153 HydrophobicContact CB-CB 4.32Å; N150-V153 HydrophobicContact CB-CG2 3.81Å; N150-V153 PolarHBondContact O-N 2.9Å; N150-L154 PolarHBondContact O-N 3.26Å
151S96.5Very high97.4Very high6 Ų612 Ų124%0.0425%0.05CC..Hα-helixtrans-62.4-29.2176.981.90000112.5Q28 L154 K155 S185Q28-S151 PolarHBondContact OE1-OG 3.47Å; S151-L154 WeakPolarHBondContact O-CB 3.25Å; S151-L154 PolarHBondContact O-N 3.38Å; S151-K155 WeakPolarHBondContact O-CB 3.35Å; S151-K155 WeakPolarHBondContact O-CG 3.37Å; S151-K155 PolarHBondContact O-N 3.05Å; S151-K155 PolarHBondContact OG-NZ 3.39Å; S151-S185 WeakPolarHBondContact CB-OG 3.49Å
152E95.3Very high97.4Very high10 Ų1012 Ų125%0.0475%0.05CC..Hα-helixtrans-70.1-35.2-179-64.692.9140.400111.5L75 N76 F96 N150 L154 K155 C156L75-E152 HydrophobicContact CD1-CB 3.99Å; L75-E152 HydrophobicContact CD1-CG 3.99Å; N76-E152 WeakPolarHBondContact CB-OE1 3.39Å; N76-E152 VanDerWaalsContact CG-OE1 3.29Å; N76-E152 PolarHBondContact N-OE1 3.06Å; N76-E152 PolarHBondContact ND2-OE1 3.16Å; F96-E152 HydrophobicContact CZ-CB 4.29Å; N150-E152 PolarHBondContact O-N 3.08Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-K155 PolarHBondContact O-N 3.03Å; E152-C156 WeakPolarHBondContact O-CB 3.47Å; E152-C156 PolarHBondContact O-N 3.13Å; E152-C156 PolarHBondContact O-SG 3.37Å
153V96.7Very high97.4Very high0 Ų07.4 Ų7.40%04%0.035CC..Hα-helixtrans-61.4-45.7171.7172.20000110.2G95 F96 D148 N150 W157 T158G95-V153 VanDerWaalsContact O-CG1 3.3Å; G95-V153 WeakPolarHBondContact O-CG1 3.34Å; F96-V153 HydrophobicContact CD1-CG2 4.28Å; F96-V153 HydrophobicContact CD2-CG2 4.13Å; F96-V153 HydrophobicContact CE1-CB 4.36Å; F96-V153 HydrophobicContact CE1-CG2 3.97Å; F96-V153 HydrophobicContact CE2-CG2 3.81Å; F96-V153 HydrophobicContact CG-CG2 4.36Å; F96-V153 HydrophobicContact CZ-CB 4.39Å; F96-V153 HydrophobicContact CZ-CG2 3.73Å; D148-V153 HydrophobicContact CB-CB 4.42Å; D148-V153 HydrophobicContact CB-CG1 4.26Å; N150-V153 HydrophobicContact CB-CB 4.32Å; N150-V153 HydrophobicContact CB-CG2 3.81Å; N150-V153 PolarHBondContact O-N 2.9Å; V153-W157 WeakPolarHBondContact O-CA 3.37Å; V153-W157 WeakPolarHBondContact O-CB 3.43Å; V153-W157 PolarHBondContact O-N 2.75Å; V153-T158 PolarHBondContact O-N 2.91Å; V153-T158 VanDerWaalsContact O-N 3.14Å
154L98.3Very high97.4Very high0 Ų09.1 Ų9.10%04%0.044CC..Iπ-helixtrans-62.7-48.5177.2-59.1177.7000112L30 C127 D148 N150 S151 E152 T158 I159 F183 F184L30-L154 HydrophobicContact CD1-CB 3.96Å; L30-L154 HydrophobicContact CD1-CD1 3.9Å; C127-L154 WeakPolarHBondContact SG-CD2 3.48Å; D148-L154 HydrophobicContact CB-CD2 3.64Å; D148-L154 HydrophobicContact CB-CG 3.91Å; N150-L154 PolarHBondContact O-N 3.26Å; S151-L154 WeakPolarHBondContact O-CB 3.25Å; S151-L154 PolarHBondContact O-N 3.38Å; E152-L154 VanDerWaalsContact C-N 3.33Å; L154-T158 HydrophobicContact CD2-CG2 4.31Å; L154-T158 WeakPolarHBondContact CD2-OG1 3.34Å; L154-T158 PolarHBondContact O-N 2.96Å; L154-I159 WeakPolarHBondContact O-CB 3.47Å; L154-I159 WeakPolarHBondContact O-CG1 3.48Å; L154-I159 PolarHBondContact O-N 3.22Å; L154-F183 HydrophobicContact CD1-CB 4.46Å; L154-F184 VanDerWaalsContact CD1-C 3.45Å; L154-F184 WeakPolarHBondContact CD1-O 3.49Å
155K97.5Very high97.2Very high38 Ų389.4 Ų9.417%0.1655%0.046CC..Iπ-helixtrans-69.5-39.5-175.7-70.4168.7-177.11630112.8L30 D34 G35 Y36 S151 E152 P160L30-K155 HydrophobicContact CD1-CG 4.09Å; D34-K155 HydrophobicContact CB-CG 4.5Å; D34-K155 WeakPolarHBondContact O-CG 3.4Å; G35-K155 CarbonylContact C-O 3.54Å; G35-K155 WeakPolarHBondContact CA-O 3.34Å; Y36-K155 HydrophobicContact CD1-CB 4.11Å; Y36-K155 HydrophobicContact CE1-CB 4.18Å; Y36-K155 HydrophobicContact CE1-CD 4.31Å; Y36-K155 PolarHBondContact N-O 3.39Å; S151-K155 WeakPolarHBondContact O-CB 3.35Å; S151-K155 WeakPolarHBondContact O-CG 3.37Å; S151-K155 PolarHBondContact O-N 3.05Å; S151-K155 PolarHBondContact OG-NZ 3.39Å; E152-K155 PolarHBondContact O-N 3.03Å; K155-P160 WeakPolarHBondContact O-CD 3.2Å
156C96.9Very high96.7Very high1 Ų111.8 Ų11.81%0.0076%0.063CC..Iπ-helixtrans-95.8-15.7-173.7-59.50000113.4Y36 V39 L63 L67 F96 E152Y36-C156 WeakPolarHBondContact CD2-SG 3.32Å; V39-C156 VanDerWaalsContact CG1-O 3.29Å; V39-C156 WeakPolarHBondContact CG1-O 3.39Å; L63-C156 HydrophobicContact CD1-CB 4.35Å; L63-C156 WeakPolarHBondContact CD1-O 3.3Å; L67-C156 HydrophobicContact CD2-CB 3.92Å; F96-C156 HydrophobicContact CE1-CB 4.24Å; E152-C156 WeakPolarHBondContact O-CB 3.47Å; E152-C156 PolarHBondContact O-N 3.13Å; E152-C156 PolarHBondContact O-SG 3.37Å
157W97.8Very high95.3Very high0 Ų014.6 Ų14.60%09%0.091CC..Iπ-helixtrans-134-58.8-177.4-153.227.4000114.5I58 L63 G95 F96 L98 C129 V153 I159 P160 N161I58-W157 PolarHBondContact O-NE1 3.19Å; L63-W157 HydrophobicContact CD2-CB 3.84Å; L63-W157 VanDerWaalsContact CD2-CD1 3.49Å; L63-W157 HydrophobicContact CD2-CD2 3.77Å; L63-W157 HydrophobicContact CD2-CG 3.46Å; L63-W157 VanDerWaalsContact CD2-CG 3.46Å; G95-W157 WeakPolarHBondContact O-CZ3 3.23Å; F96-W157 VanDerWaalsContact C-CZ3 3.47Å; F96-W157 WeakPolarHBondContact O-CH2 3.45Å; L98-W157 HydrophobicContact CB-CH2 3.78Å; L98-W157 HydrophobicContact CB-CZ2 4.17Å; C129-W157 VanDerWaalsContact CA-CE3 3.5Å; C129-W157 HydrophobicContact CB-CD2 4.05Å; C129-W157 HydrophobicContact CB-CE3 3.9Å; C129-W157 HydrophobicContact CB-CH2 3.69Å; C129-W157 HydrophobicContact CB-CZ2 3.81Å; C129-W157 HydrophobicContact CB-CZ3 3.71Å; V153-W157 WeakPolarHBondContact O-CA 3.37Å; V153-W157 WeakPolarHBondContact O-CB 3.43Å; V153-W157 PolarHBondContact O-N 2.75Å; W157-I159 PolarHBondContact O-N 3.28Å; W157-P160 WeakPolarHBondContact O-CD 3.29Å; W157-N161 PolarHBondContact NE1-ND2 2.81Å; W157-N161 WeakPolarHBondContact O-CB 3.44Å; W157-N161 PolarHBondContact O-N 3.05Å; W157-N161 PolarHBondContact O-ND2 2.88Å; W157-N161 VanDerWaalsContact O-ND2 3.12Å
158T98.6Very high93.1Very high0 Ų017.1 Ų17.10%011%0.109CC..Iπ-helixtrans-59.3-55.2-175.2-40.60000111.7G128 F146 V153 L154 N161 V162 F183G128-T158 PolarHBondContact O-OG1 2.9Å; F146-T158 HydrophobicContact CB-CG2 3.95Å; F146-T158 HydrophobicContact CD1-CG2 3.63Å; F146-T158 HydrophobicContact CE1-CG2 4.31Å; F146-T158 HydrophobicContact CG-CG2 3.88Å; V153-T158 PolarHBondContact O-N 2.91Å; V153-T158 VanDerWaalsContact O-N 3.14Å; L154-T158 HydrophobicContact CD2-CG2 4.31Å; L154-T158 WeakPolarHBondContact CD2-OG1 3.34Å; L154-T158 PolarHBondContact O-N 2.96Å; T158-N161 PolarHBondContact O-N 3.34Å; T158-V162 WeakPolarHBondContact O-CG2 3.4Å; T158-V162 PolarHBondContact O-N 3.32Å; T158-F183 HydrophobicContact CG2-CD1 4.44Å; T158-F183 HydrophobicContact CG2-CE1 4.27Å
159I98.3Very high90.3Very high0 Ų024.8 Ų24.80%015%0.145CC..Hα-helixtrans-61.6-49.9-177.7-68.1162.1000111L30 T31 L32 D34 L154 W157 N161 V162 I163 F183L30-I159 HydrophobicContact CB-CD1 4.43Å; T31-I159 WeakPolarHBondContact O-CD1 3.36Å; L32-I159 HydrophobicContact CD2-CG2 4.09Å; D34-I159 HydrophobicContact CB-CD1 4.47Å; L154-I159 WeakPolarHBondContact O-CB 3.47Å; L154-I159 WeakPolarHBondContact O-CG1 3.48Å; L154-I159 PolarHBondContact O-N 3.22Å; W157-I159 PolarHBondContact O-N 3.28Å; I159-N161 VanDerWaalsContact C-N 3.29Å; I159-N161 PolarHBondContact O-N 3.49Å; I159-V162 PolarHBondContact O-N 3.24Å; I159-V162 VanDerWaalsContact O-N 3.15Å; I159-I163 HydrophobicContact CG2-CD1 3.69Å; I159-I163 HydrophobicContact CG2-CG1 4.47Å; I159-I163 WeakPolarHBondContact O-CD1 3.24Å; I159-I163 WeakPolarHBondContact O-CG1 3.39Å; I159-I163 PolarHBondContact O-N 3.11Å; I159-F183 HydrophobicContact CB-CE1 4.46Å; I159-F183 HydrophobicContact CD1-CB 4.46Å; I159-F183 HydrophobicContact CD1-CD1 4.24Å; I159-F183 HydrophobicContact CD1-CD2 4.35Å; I159-F183 HydrophobicContact CD1-CG 4.1Å; I159-F183 HydrophobicContact CG1-CD1 3.51Å; I159-F183 HydrophobicContact CG1-CD2 4.06Å; I159-F183 HydrophobicContact CG1-CE1 3.53Å; I159-F183 HydrophobicContact CG1-CE2 4.08Å; I159-F183 HydrophobicContact CG1-CG 3.8Å; I159-F183 HydrophobicContact CG1-CZ 3.83Å
160P97.8Very high87.7Confident1 Ų130.8 Ų30.81%0.00618%0.179CC..Hα-helixtrans-51.5-43.7172.1-31.337.7000114.1V39 L40 I58 K155 W157 I163 I164V39-P160 HydrophobicContact CB-CB 4.36Å; V39-P160 HydrophobicContact CB-CG 4.12Å; V39-P160 HydrophobicContact CG1-CB 4.09Å; V39-P160 HydrophobicContact CG1-CG 4.13Å; L40-P160 HydrophobicContact CD2-CB 3.92Å; I58-P160 HydrophobicContact CG1-CB 4.3Å; K155-P160 WeakPolarHBondContact O-CD 3.2Å; W157-P160 WeakPolarHBondContact O-CD 3.29Å; P160-I163 WeakPolarHBondContact O-CB 3.03Å; P160-I163 PolarHBondContact O-N 3.49Å; P160-I164 WeakPolarHBondContact O-CG1 3.12Å; P160-I164 PolarHBondContact O-N 3.31Å
161N97.9Very high85.4Confident0 Ų034.9 Ų34.90%020%0.201CC..Hα-helixtrans-66-39.8178.3-66-21.7000111.9Y57 I58 C129 I134 W157 T158 I159 I163 I164 N165Y57-N161 VanDerWaalsContact CA-OD1 3.31Å; Y57-N161 WeakPolarHBondContact CA-OD1 3.16Å; I58-N161 WeakPolarHBondContact CG1-OD1 3.29Å; I58-N161 PolarHBondContact N-OD1 3.4Å; C129-N161 PolarHBondContact O-ND2 3.01Å; C129-N161 PolarHBondContact SG-ND2 2.87Å; I134-N161 HydrophobicContact CD1-CB 3.67Å; W157-N161 PolarHBondContact NE1-ND2 2.81Å; W157-N161 WeakPolarHBondContact O-CB 3.44Å; W157-N161 PolarHBondContact O-N 3.05Å; W157-N161 PolarHBondContact O-ND2 2.88Å; W157-N161 VanDerWaalsContact O-ND2 3.12Å; T158-N161 PolarHBondContact O-N 3.34Å; I159-N161 VanDerWaalsContact C-N 3.29Å; I159-N161 PolarHBondContact O-N 3.49Å; N161-I163 VanDerWaalsContact C-N 3.3Å; N161-I163 PolarHBondContact O-N 2.94Å; N161-I164 PolarHBondContact O-N 3.36Å; N161-N165 WeakPolarHBondContact O-CB 3.46Å; N161-N165 PolarHBondContact O-N 2.77Å; N161-N165 PolarHBondContact O-ND2 3.42Å
162V97.6Very high82.8Confident2 Ų239.4 Ų39.41%0.01224%0.238CC..Hα-helixtrans-58.3-44.3172.7178.60000110.7L32 I134 F146 T158 I159 N165 S166 L181 F183L32-V162 HydrophobicContact CD2-CB 4.49Å; L32-V162 HydrophobicContact CD2-CG1 4.14Å; I134-V162 HydrophobicContact CD1-CG2 4.34Å; I134-V162 HydrophobicContact CG1-CG2 3.96Å; F146-V162 HydrophobicContact CD2-CG2 4.47Å; F146-V162 HydrophobicContact CE1-CG2 4.3Å; F146-V162 HydrophobicContact CE2-CG2 3.87Å; F146-V162 HydrophobicContact CZ-CG2 3.77Å; T158-V162 WeakPolarHBondContact O-CG2 3.4Å; T158-V162 PolarHBondContact O-N 3.32Å; I159-V162 PolarHBondContact O-N 3.24Å; I159-V162 VanDerWaalsContact O-N 3.15Å; V162-N165 PolarHBondContact O-N 2.99Å; V162-S166 PolarHBondContact O-N 3.32Å; V162-S166 VanDerWaalsContact O-N 3.08Å; V162-S166 PolarHBondContact O-OG 3.11Å; V162-L181 HydrophobicContact CG1-CD1 3.77Å; V162-L181 HydrophobicContact CG1-CD2 4.2Å; V162-F183 HydrophobicContact CB-CZ 4.37Å; V162-F183 HydrophobicContact CG1-CZ 4.43Å; V162-F183 HydrophobicContact CG2-CE1 3.9Å; V162-F183 HydrophobicContact CG2-CZ 4Å
163I95.9Very high80.5Confident39 Ų3944.6 Ų44.620%0.227%0.267CS..Hα-helixtrans-63.6-48.5-178.4-67.2152.3000111.7L32 L40 I159 P160 N161 N165 S166 G167L32-I163 HydrophobicContact CD2-CG1 4.11Å; L40-I163 HydrophobicContact CD1-CG2 4.04Å; L40-I163 HydrophobicContact CD2-CB 4.1Å; L40-I163 HydrophobicContact CD2-CD1 4.44Å; L40-I163 HydrophobicContact CD2-CG2 3.99Å; I159-I163 HydrophobicContact CG2-CD1 3.69Å; I159-I163 HydrophobicContact CG2-CG1 4.47Å; I159-I163 WeakPolarHBondContact O-CD1 3.24Å; I159-I163 WeakPolarHBondContact O-CG1 3.39Å; I159-I163 PolarHBondContact O-N 3.11Å; P160-I163 WeakPolarHBondContact O-CB 3.03Å; P160-I163 PolarHBondContact O-N 3.49Å; N161-I163 VanDerWaalsContact C-N 3.3Å; N161-I163 PolarHBondContact O-N 2.94Å; I163-N165 PolarHBondContact O-N 2.94Å; I163-S166 PolarHBondContact O-N 2.81Å; I163-G167 PolarHBondContact O-N 3.29Å
164I95.6Very high78Confident39 Ų3949 Ų4920%0.230%0.298CS..Hα-helixtrans-60.3-35.4-179.6-67.6167.4000110.9L40 T44 W56 I58 P160 N161 S166L40-I164 HydrophobicContact CD2-CD1 4.06Å; L40-I164 HydrophobicContact CD2-CG1 3.8Å; T44-I164 HydrophobicContact CG2-CD1 3.98Å; W56-I164 HydrophobicContact CB-CG2 3.79Å; W56-I164 HydrophobicContact CG-CG2 4.5Å; I58-I164 HydrophobicContact CD1-CD1 3.38Å; I58-I164 HydrophobicContact CG1-CD1 4.05Å; P160-I164 WeakPolarHBondContact O-CG1 3.12Å; P160-I164 PolarHBondContact O-N 3.31Å; N161-I164 PolarHBondContact O-N 3.36Å; I164-S166 VanDerWaalsContact C-N 3.34Å
165N95.1Very high75.7Confident6 Ų653.8 Ų53.83%0.03232%0.32CS..Hα-helixtrans-80.7-10.9178.1-79.5-79.7000114.6W56 I134 K138 N161 V162 I163W56-N165 PolarHBondContact N-OD1 3.04Å; W56-N165 PolarHBondContact O-ND2 3.37Å; I134-N165 HydrophobicContact CG2-CB 3.56Å; K138-N165 VanDerWaalsContact NZ-CB 3.3Å; K138-N165 PolarHBondContact NZ-O 2.81Å; K138-N165 PolarHBondContact NZ-OD1 3.27Å; N161-N165 WeakPolarHBondContact O-CB 3.46Å; N161-N165 PolarHBondContact O-N 2.77Å; N161-N165 PolarHBondContact O-ND2 3.42Å; V162-N165 PolarHBondContact O-N 2.99Å; I163-N165 PolarHBondContact O-N 2.94Å
166S87.3Confident73.7Confident54 Ų5454 Ų5438%0.37832%0.322SS..Hα-helixtrans-93.2-28177.9-56.90000112.6V162 I163 I164 S168V162-S166 PolarHBondContact O-N 3.32Å; V162-S166 VanDerWaalsContact O-N 3.08Å; V162-S166 PolarHBondContact O-OG 3.11Å; I163-S166 PolarHBondContact O-N 2.81Å; I164-S166 VanDerWaalsContact C-N 3.34Å; S166-S168 VanDerWaalsContact C-N 3.35Å; S166-S168 PolarHBondContact O-N 3.21Å
167G68.7Low72.1Confident58 Ų5861.6 Ų61.660%0.59836%0.358SS*.  trans-81.2-2.9-176.500000116I163 Q169I163-G167 PolarHBondContact O-N 3.29Å; G167-Q169 VanDerWaalsContact C-N 3.3Å; G167-Q169 PolarHBondContact O-N 2.91Å
168S52.5Low71.4Confident53 Ų5369 Ų6937%0.37139%0.392SS..  trans-77.580.7177.7-65.80000110.4S166 N170S166-S168 VanDerWaalsContact C-N 3.35Å; S166-S168 PolarHBondContact O-N 3.21Å; S168-N170 PolarHBondContact O-N 2.67Å
169Q39.8Very low71.3Confident171 Ų17169.7 Ų69.780%0.79940%0.397SS*.THydrogen-bonded Turntrans-62.23.9175.1-76.5-117.9-10.700115G167G167-Q169 VanDerWaalsContact C-N 3.3Å; G167-Q169 PolarHBondContact O-N 2.91Å
170N42.1Very low71.1Confident157 Ų15774.8 Ų74.884%0.8442%0.421SS*.THydrogen-bonded Turntrans-93.9-4.4-178.5-71.9-13.8000114S168 A172S168-N170 PolarHBondContact O-N 2.67Å; N170-A172 PolarHBondContact O-N 2.74Å
171D47.6Very low71.1Confident97 Ų9776.7 Ų76.752%0.51943%0.43SS..  trans-89.2103.9168.1-67.1-24.9000107.6D173D171-D173 PolarHBondContact O-N 2.79Å
172A41.5Very low71.1Confident101 Ų10178.5 Ų78.584%0.83544%0.439SS*.  trans-64.110179.200000114.6N170N170-A172 PolarHBondContact O-N 2.74Å
173D46.2Very low71.1Confident120 Ų12078.4 Ų78.464%0.64244%0.438SS*.  trans-10090.8173.5-68.3-28.6000108.7D171 H175D171-D173 PolarHBondContact O-N 2.79Å; D173-H175 PolarHBondContact O-N 3.07Å
174S45.4Very low71.2Confident93 Ų9377.6 Ų77.665%0.6543%0.433SS*.G310 helixtrans-64.128.1-177.353.40000115.8N176S174-N176 VanDerWaalsContact C-N 3.31Å; S174-N176 PolarHBondContact O-N 2.78Å
175H50.7Low71.3Confident100 Ų10076 Ų7646%0.46343%0.425SS..G310 helixtrans-75.6-14.9-179.9-68.6-56.3000114.2D173D173-H175 PolarHBondContact O-N 3.07Å
176N53.9Low71.4Confident41 Ų4175.8 Ų75.822%0.21943%0.425CS..G310 helixtrans-71.1-33.3-176.6-71.2-20.3000113.7S174 H178 T179S174-N176 VanDerWaalsContact C-N 3.31Å; S174-N176 PolarHBondContact O-N 2.78Å; N176-H178 PolarHBondContact O-N 2.97Å; N176-H178 VanDerWaalsContact O-N 3.13Å; N176-T179 PolarHBondContact O-N 3.28Å
177E63.3Low71.9Confident162 Ų16273.4 Ų73.476%0.75741%0.408SS*.G310 helixtrans-69.5-13.3-172.1-70.4-170.3168.300114.2
178H84.6Confident73.2Confident154 Ų15471.8 Ų71.871%0.71338%0.384SS*.G310 helixtrans-105.6-4.2-177-60.1-48000114.4N176 Q180N176-H178 PolarHBondContact O-N 2.97Å; N176-H178 VanDerWaalsContact O-N 3.13Å; H178-Q180 PolarHBondContact O-N 3.42Å
179T94.9Very high75.3Confident16 Ų1671 Ų7110%0.09838%0.375CS..  trans-75.8116.8-179.7-56.20000109.8V137 A141 V144 N176 L181V137-T179 HydrophobicContact CB-CG2 4.44Å; V137-T179 HydrophobicContact CG1-CG2 4.19Å; V137-T179 HydrophobicContact CG2-CG2 4.07Å; A141-T179 WeakPolarHBondContact O-CG2 3.43Å; A141-T179 PolarHBondContact O-OG1 3.08Å; V144-T179 HydrophobicContact CB-CG2 4.33Å; V144-T179 HydrophobicContact CG2-CG2 3.82Å; N176-T179 PolarHBondContact O-N 3.28Å; T179-L181 HydrophobicContact CG2-CD2 4.12Å; T179-L181 PolarHBondContact O-N 3.01Å
180Q95.6Very high77.9Confident107 Ų10765.4 Ų65.450%0.535%0.349SS..EExtended strand (participates in β ladder)trans-69130.2168.3-176.7175.1-21.700109.1R142 L143 V144 H178 E182R142-Q180 PolarHBondContact O-N 3.5Å; L143-Q180 WeakPolarHBondContact CA-O 3.42Å; L143-Q180 HydrophobicContact CB-CB 4.48Å; L143-Q180 HydrophobicContact CD1-CB 3.82Å; L143-Q180 HydrophobicContact CD1-CG 3.65Å; L143-Q180 WeakPolarHBondContact CD1-O 3.39Å; V144-Q180 PolarHBondContact N-O 2.86Å; H178-Q180 PolarHBondContact O-N 3.42Å; Q180-E182 PolarHBondContact NE2-OE1 2.81Å
181L97.1Very high80.5Confident41 Ų4158 Ų5822%0.21531%0.309CS..EExtended strand (participates in β ladder)trans-115.8128.4-177.8-64.8167.1000109.9L32 V137 V144 F146 V162 T179 F183L32-L181 HydrophobicContact CD1-CD1 3.95Å; L32-L181 HydrophobicContact CD2-CD1 4.22Å; L32-L181 HydrophobicContact CG-CD1 4.34Å; V137-L181 HydrophobicContact CG2-CD2 3.71Å; V144-L181 HydrophobicContact CB-CD2 4.32Å; F146-L181 HydrophobicContact CE2-CD2 4.01Å; V162-L181 HydrophobicContact CG1-CD1 3.77Å; V162-L181 HydrophobicContact CG1-CD2 4.2Å; T179-L181 HydrophobicContact CG2-CD2 4.12Å; T179-L181 PolarHBondContact O-N 3.01Å; L181-F183 HydrophobicContact CB-CE2 4.04Å; L181-F183 HydrophobicContact CB-CZ 4.35Å
182E97Very high82.7Confident37 Ų3753.4 Ų53.417%0.17329%0.285CS..EExtended strand (participates in β ladder)trans-133.1142.6178.5-67.7-179.9177.200110.8L143 V144 R145 F146 Q180 F184L143-E182 HydrophobicContact CD1-CG 3.93Å; V144-E182 PolarHBondContact O-N 3.21Å; V144-E182 VanDerWaalsContact O-N 3.09Å; R145-E182 CarbonylContact C-O 3.52Å; R145-E182 WeakPolarHBondContact CA-O 3.49Å; R145-E182 HydrophobicContact CB-CB 4.3Å; R145-E182 HydrophobicContact CG-CB 4.04Å; R145-E182 IonicContact CZ-OE2 3.83Å; R145-E182 IonicContact NE-OE2 2.64Å; R145-E182 PolarHBondContact NE-OE2 2.78Å; R145-E182 IonicContact NH2-OE2 3.44Å; R145-E182 PolarHBondContact NH2-OE2 2.89Å; F146-E182 PolarHBondContact N-O 3.02Å; Q180-E182 PolarHBondContact NE2-OE1 2.81Å; E182-F184 HydrophobicContact CB-CD2 4.42Å; E182-F184 HydrophobicContact CB-CE2 4.01Å
183F98.5Very high85.2Confident0 Ų054.2 Ų54.20%027%0.27CS..EExtended strand (participates in β ladder)trans-130.6126.5-177.6-56.9-90.2000108.9L30 L32 F146 L154 T158 I159 V162 L181L30-F183 HydrophobicContact CB-CB 3.89Å; L30-F183 PolarHBondContact N-O 3.27Å; L30-F183 PolarHBondContact O-N 2.89Å; L32-F183 HydrophobicContact CD2-CE2 3.84Å; L32-F183 HydrophobicContact CD2-CZ 3.82Å; L32-F183 HydrophobicContact CG-CE2 4.21Å; F146-F183 HydrophobicContact CB-CD1 3.72Å; F146-F183 HydrophobicContact CB-CE1 4.09Å; F146-F183 AromaticContact CD2-CD1 3.94Å; F146-F183 HydrophobicContact CD2-CD1 3.94Å; F146-F183 AromaticContact CD2-CE1 3.5Å; F146-F183 HydrophobicContact CD2-CE1 3.5Å; F146-F183 HydrophobicContact CD2-CZ 4.1Å; F146-F183 HydrophobicContact CE2-CE1 4.15Å; F146-F183 HydrophobicContact CE2-CZ 4.46Å; F146-F183 HydrophobicContact CG-CD1 4.09Å; F146-F183 AromaticContact CG-CE1 3.93Å; F146-F183 HydrophobicContact CG-CE1 3.93Å; F146-F183 CarbonylContact O-C 3.58Å; F146-F183 WeakPolarHBondContact O-CA 3.01Å; L154-F183 HydrophobicContact CD1-CB 4.46Å; T158-F183 HydrophobicContact CG2-CD1 4.44Å; T158-F183 HydrophobicContact CG2-CE1 4.27Å; I159-F183 HydrophobicContact CB-CE1 4.46Å; I159-F183 HydrophobicContact CD1-CB 4.46Å; I159-F183 HydrophobicContact CD1-CD1 4.24Å; I159-F183 HydrophobicContact CD1-CD2 4.35Å; I159-F183 HydrophobicContact CD1-CG 4.1Å; I159-F183 HydrophobicContact CG1-CD1 3.51Å; I159-F183 HydrophobicContact CG1-CD2 4.06Å; I159-F183 HydrophobicContact CG1-CE1 3.53Å; I159-F183 HydrophobicContact CG1-CE2 4.08Å; I159-F183 HydrophobicContact CG1-CG 3.8Å; I159-F183 HydrophobicContact CG1-CZ 3.83Å; V162-F183 HydrophobicContact CB-CZ 4.37Å; V162-F183 HydrophobicContact CG1-CZ 4.43Å; V162-F183 HydrophobicContact CG2-CE1 3.9Å; V162-F183 HydrophobicContact CG2-CZ 4Å; L181-F183 HydrophobicContact CB-CE2 4.04Å; L181-F183 HydrophobicContact CB-CZ 4.35Å
184F98.1Very high87.5Confident23 Ų2352.2 Ų52.210%0.10126%0.258CS..EExtended strand (participates in β ladder)trans-128.4123.4-179.4-76.8-92.6000111.1V27 Q28 R145 F146 Q147 D148 L154 E182 L191 W195V27-F184 HydrophobicContact CG1-CD1 4.48Å; Q28-F184 CarbonylContact O-C 3.57Å; Q28-F184 VanDerWaalsContact O-CA 3.31Å; Q28-F184 WeakPolarHBondContact O-CA 3.35Å; R145-F184 HydrophobicContact CG-CD2 3.75Å; R145-F184 HydrophobicContact CG-CE2 4.21Å; F146-F184 PolarHBondContact O-N 2.82Å; Q147-F184 VanDerWaalsContact CA-O 3.27Å; Q147-F184 WeakPolarHBondContact CA-O 3.37Å; D148-F184 PolarHBondContact N-O 3.09Å; L154-F184 VanDerWaalsContact CD1-C 3.45Å; L154-F184 WeakPolarHBondContact CD1-O 3.49Å; E182-F184 HydrophobicContact CB-CD2 4.42Å; E182-F184 HydrophobicContact CB-CE2 4.01Å; F184-L191 HydrophobicContact CB-CD2 4.13Å; F184-L191 HydrophobicContact CD1-CD2 4.16Å; F184-L191 HydrophobicContact CG-CD2 4.47Å; F184-W195 HydrophobicContact CB-CZ2 4.07Å; F184-W195 HydrophobicContact CD1-CZ2 4.37Å; F184-W195 HydrophobicContact CD2-CZ2 4.11Å; F184-W195 AromaticContact CG-CZ2 3.93Å; F184-W195 HydrophobicContact CG-CZ2 3.93Å
185S97.9Very high89.8Confident4 Ų448.2 Ų48.23%0.02823%0.229CC..EExtended strand (participates in β ladder)trans-95.6148.4166.667.20000111.5V27 Q28 D148 S151V27-S185 VanDerWaalsContact CA-O 3.3Å; V27-S185 WeakPolarHBondContact CA-O 3.21Å; Q28-S185 WeakPolarHBondContact CB-OG 3.34Å; Q28-S185 PolarHBondContact N-O 3.49Å; Q28-S185 PolarHBondContact O-N 2.96Å; Q28-S185 PolarHBondContact OE1-OG 3.29Å; D148-S185 CarbonylContact O-C 3.51Å; D148-S185 WeakPolarHBondContact O-CA 3.25Å; S151-S185 WeakPolarHBondContact CB-OG 3.49Å
186G96.8Very high91.6Very high2 Ų250 Ų502%0.02124%0.238CC..SBendtrans136.2175.4167.900000114.1L26 Q147 D148 Y149 L191L26-G186 WeakPolarHBondContact O-CA 3.39Å; Q147-G186 PolarHBondContact NE2-O 3.13Å; D148-G186 PolarHBondContact O-N 3.04Å; Y149-G186 PolarHBondContact O-N 3.38Å; G186-L191 WeakPolarHBondContact O-CD1 3.27Å
187D96.6Very high92.9Very high5 Ų552.8 Ų52.83%0.02726%0.26CS..  trans-64.9138.2179170.1-110.3000112.7Y149 L189 H190 L191 R220Y149-D187 HydrophobicContact CD2-CB 4.38Å; Y149-D187 HydrophobicContact CE2-CB 4.02Å; D187-L189 VanDerWaalsContact C-N 3.31Å; D187-L189 PolarHBondContact O-N 3.45Å; D187-L189 VanDerWaalsContact OD1-CB 3.3Å; D187-L189 WeakPolarHBondContact OD1-CB 3.5Å; D187-L189 PolarHBondContact OD1-N 3Å; D187-L189 VanDerWaalsContact OD1-N 3.08Å; D187-H190 HydrophobicContact CB-CB 4.41Å; D187-H190 PolarHBondContact O-N 3.08Å; D187-H190 IonicContact OD1-CE1 3.6Å; D187-H190 IonicContact OD1-CG 2.75Å; D187-H190 PolarHBondContact OD1-N 3.3Å; D187-H190 VanDerWaalsContact OD1-N 3.11Å; D187-H190 IonicContact OD1-ND1 2.86Å; D187-H190 PolarHBondContact OD1-ND1 2.85Å; D187-L191 WeakPolarHBondContact O-CB 3.23Å; D187-L191 WeakPolarHBondContact O-CG 3.46Å; D187-L191 PolarHBondContact O-N 3.29Å; D187-R220 IonicContact OD1-NH1 2.68Å; D187-R220 PolarHBondContact OD1-NH1 3.2Å; D187-R220 WeakPolarHBondContact OD2-CD 3.33Å; D187-R220 IonicContact OD2-CZ 3.51Å; D187-R220 IonicContact OD2-NE 2.72Å; D187-R220 IonicContact OD2-NH1 3.78Å; D187-R220 PolarHBondContact OD2-NH1 3.02Å
188W97.3Very high93.2Very high24 Ų2447.5 Ų47.59%0.09124%0.241CC..Hα-helixtrans-58.7-38.4-178.3-66.7-30.3000113.4L191 S192 T211 L217 R220 L221 I224W188-L191 PolarHBondContact O-N 2.82Å; W188-S192 WeakPolarHBondContact O-CB 3.43Å; W188-S192 PolarHBondContact O-N 2.98Å; W188-S192 PolarHBondContact O-OG 3.49Å; W188-T211 HydrophobicContact CH2-CG2 3.68Å; W188-T211 HydrophobicContact CZ2-CG2 3.71Å; W188-L217 HydrophobicContact CZ3-CB 4.32Å; W188-R220 HydrophobicContact CB-CB 4.15Å; W188-R220 WeakPolarHBondContact CB-O 3.35Å; W188-R220 HydrophobicContact CE3-CB 4.14Å; W188-L221 HydrophobicContact CD2-CD1 4.43Å; W188-L221 HydrophobicContact CE3-CB 3.75Å; W188-L221 HydrophobicContact CE3-CD1 4.15Å; W188-L221 HydrophobicContact CH2-CD1 4.04Å; W188-L221 HydrophobicContact CZ2-CD1 4.3Å; W188-L221 HydrophobicContact CZ3-CB 3.65Å; W188-L221 HydrophobicContact CZ3-CD1 3.95Å; W188-L221 HydrophobicContact CZ3-CG 4.24Å; W188-I224 HydrophobicContact CB-CB 4.01Å; W188-I224 HydrophobicContact CB-CD1 4.05Å; W188-I224 HydrophobicContact CB-CG2 3.73Å; W188-I224 HydrophobicContact CD2-CG2 4.38Å; W188-I224 HydrophobicContact CG-CD1 4.27Å; W188-I224 HydrophobicContact CG-CG2 3.83Å
189L95.6Very high92.3Very high36 Ų3645.9 Ų45.919%0.18825%0.254CS..Hα-helixtrans-70.5-38.5-179.7-175.263.3000111.6D187 S192 K193 R220 T223D187-L189 VanDerWaalsContact C-N 3.31Å; D187-L189 PolarHBondContact O-N 3.45Å; D187-L189 VanDerWaalsContact OD1-CB 3.3Å; D187-L189 WeakPolarHBondContact OD1-CB 3.5Å; D187-L189 PolarHBondContact OD1-N 3Å; D187-L189 VanDerWaalsContact OD1-N 3.08Å; L189-S192 WeakPolarHBondContact O-CB 3.21Å; L189-S192 PolarHBondContact O-N 2.78Å; L189-K193 WeakPolarHBondContact O-CG 3.33Å; L189-K193 PolarHBondContact O-N 2.76Å; L189-K193 VanDerWaalsContact O-N 3.16Å; L189-R220 HydrophobicContact CB-CB 4.48Å; L189-R220 HydrophobicContact CB-CG 4.19Å; L189-T223 HydrophobicContact CD1-CG2 3.96Å
190H95.1Very high91.5Very high54 Ų5446.9 Ų46.925%0.2526%0.259CS..Hα-helixtrans-68.6-41.6174.9-69.387.1000112.2S25 V27 D187 S192 K193 L194S25-H190 WeakPolarHBondContact CB-NE2 3.46Å; V27-H190 HydrophobicContact CG2-CB 4.01Å; D187-H190 HydrophobicContact CB-CB 4.41Å; D187-H190 PolarHBondContact O-N 3.08Å; D187-H190 IonicContact OD1-CE1 3.6Å; D187-H190 IonicContact OD1-CG 2.75Å; D187-H190 PolarHBondContact OD1-N 3.3Å; D187-H190 VanDerWaalsContact OD1-N 3.11Å; D187-H190 IonicContact OD1-ND1 2.86Å; D187-H190 PolarHBondContact OD1-ND1 2.85Å; H190-S192 VanDerWaalsContact C-N 3.31Å; H190-S192 PolarHBondContact O-N 2.96Å; H190-K193 PolarHBondContact O-N 3.47Å; H190-L194 PolarHBondContact O-N 2.89Å
191L96Very high91.2Very high0 Ų044.4 Ų44.40%025%0.251CS..Hα-helixtrans-61.2-39.7172.4-76.7169.2000111.8V27 Q147 F184 G186 D187 W188 K193 L194 W195 I224V27-L191 HydrophobicContact CB-CD2 4.48Å; V27-L191 HydrophobicContact CG1-CD2 3.49Å; V27-L191 VanDerWaalsContact CG1-CD2 3.49Å; V27-L191 HydrophobicContact CG1-CG 4.39Å; V27-L191 HydrophobicContact CG2-CD2 4.15Å; V27-L191 HydrophobicContact CG2-CG 4.19Å; Q147-L191 HydrophobicContact CG-CD1 3.5Å; Q147-L191 VanDerWaalsContact CG-CD1 3.5Å; F184-L191 HydrophobicContact CB-CD2 4.13Å; F184-L191 HydrophobicContact CD1-CD2 4.16Å; F184-L191 HydrophobicContact CG-CD2 4.47Å; G186-L191 WeakPolarHBondContact O-CD1 3.27Å; D187-L191 WeakPolarHBondContact O-CB 3.23Å; D187-L191 WeakPolarHBondContact O-CG 3.46Å; D187-L191 PolarHBondContact O-N 3.29Å; W188-L191 PolarHBondContact O-N 2.82Å; L191-K193 PolarHBondContact O-N 2.97Å; L191-L194 PolarHBondContact O-N 3.43Å; L191-W195 HydrophobicContact CB-CZ2 4.46Å; L191-W195 HydrophobicContact CD1-CZ2 4.49Å; L191-W195 HydrophobicContact CD2-CZ2 3.79Å; L191-W195 HydrophobicContact CG-CZ2 4.5Å; L191-W195 VanDerWaalsContact O-CB 3.31Å; L191-W195 WeakPolarHBondContact O-CB 3.36Å; L191-W195 PolarHBondContact O-N 2.85Å; L191-I224 HydrophobicContact CB-CD1 3.76Å; L191-I224 HydrophobicContact CD1-CD1 4.34Å
192S95.1Very high91.1Very high2 Ų246.8 Ų46.81%0.01426%0.26CS..Hα-helixtrans-57.2-50.4174.8-55.80000111.2W188 L189 H190 L194 W195 Q196 I224 T227W188-S192 WeakPolarHBondContact O-CB 3.43Å; W188-S192 PolarHBondContact O-N 2.98Å; W188-S192 PolarHBondContact O-OG 3.49Å; L189-S192 WeakPolarHBondContact O-CB 3.21Å; L189-S192 PolarHBondContact O-N 2.78Å; H190-S192 VanDerWaalsContact C-N 3.31Å; H190-S192 PolarHBondContact O-N 2.96Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-L194 PolarHBondContact O-N 2.8Å; S192-W195 PolarHBondContact O-N 3.34Å; S192-Q196 VanDerWaalsContact O-CB 3.31Å; S192-Q196 WeakPolarHBondContact O-CB 3.46Å; S192-Q196 PolarHBondContact O-N 2.95Å; S192-I224 WeakPolarHBondContact OG-CA 3.43Å; S192-I224 VanDerWaalsContact OG-CB 3.25Å; S192-I224 WeakPolarHBondContact OG-CB 3.37Å; S192-I224 PolarHBondContact OG-N 3.22Å; S192-T227 WeakPolarHBondContact O-CG2 3.47Å
193K94.2Very high91.2Very high118 Ų11845.1 Ų45.151%0.51325%0.252SS..Hα-helixtrans-58.8-45.5177.6-67.6170.1-175.7175.30111.7L189 H190 L191 W195 S197L189-K193 WeakPolarHBondContact O-CG 3.33Å; L189-K193 PolarHBondContact O-N 2.76Å; L189-K193 VanDerWaalsContact O-N 3.16Å; H190-K193 PolarHBondContact O-N 3.47Å; L191-K193 PolarHBondContact O-N 2.97Å; K193-W195 PolarHBondContact O-N 2.79Å; K193-S197 PolarHBondContact O-N 2.83Å; K193-S197 PolarHBondContact O-OG 2.93Å
194L93.2Very high91.2Very high77 Ų7746.5 Ų46.540%0.40326%0.26SS..Hα-helixtrans-60.8-46.3178.1-179.563.2000111.5V27 H190 L191 S192 S197 S198V27-L194 HydrophobicContact CG1-CD2 3.81Å; H190-L194 PolarHBondContact O-N 2.89Å; L191-L194 PolarHBondContact O-N 3.43Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-L194 PolarHBondContact O-N 2.8Å; L194-S197 PolarHBondContact O-OG 3.2Å; L194-S198 PolarHBondContact O-N 2.73Å; L194-S198 PolarHBondContact O-OG 2.7Å
195W93.5Very high91.2Very high9 Ų946.3 Ų46.33%0.03426%0.258CS..Hα-helixtrans-80.2-17.9-175-63.5-5.6000114L123 Q147 F184 L191 S192 K193 N200 I224 S228L123-W195 HydrophobicContact CD1-CH2 4.01Å; L123-W195 HydrophobicContact CD1-CZ3 4.31Å; L123-W195 HydrophobicContact CD2-CH2 4.41Å; L123-W195 HydrophobicContact CD2-CZ3 3.88Å; Q147-W195 HydrophobicContact CG-CH2 4.49Å; F184-W195 HydrophobicContact CB-CZ2 4.07Å; F184-W195 HydrophobicContact CD1-CZ2 4.37Å; F184-W195 HydrophobicContact CD2-CZ2 4.11Å; F184-W195 AromaticContact CG-CZ2 3.93Å; F184-W195 HydrophobicContact CG-CZ2 3.93Å; L191-W195 HydrophobicContact CB-CZ2 4.46Å; L191-W195 HydrophobicContact CD1-CZ2 4.49Å; L191-W195 HydrophobicContact CD2-CZ2 3.79Å; L191-W195 HydrophobicContact CG-CZ2 4.5Å; L191-W195 VanDerWaalsContact O-CB 3.31Å; L191-W195 WeakPolarHBondContact O-CB 3.36Å; L191-W195 PolarHBondContact O-N 2.85Å; S192-W195 PolarHBondContact O-N 3.34Å; K193-W195 PolarHBondContact O-N 2.79Å; W195-N200 HydrophobicContact CB-CB 4.49Å; W195-N200 WeakPolarHBondContact CB-ND2 3.39Å; W195-N200 WeakPolarHBondContact O-CB 3.48Å; W195-I224 HydrophobicContact CE3-CD1 4.26Å; W195-I224 HydrophobicContact CE3-CG1 4.34Å; W195-I224 HydrophobicContact CH2-CD1 4.35Å; W195-I224 HydrophobicContact CZ3-CD1 3.8Å; W195-I224 HydrophobicContact CZ3-CG1 4.11Å; W195-S228 VanDerWaalsContact CE3-OG 3.31Å
196Q89.5Confident91.3Very high138 Ų13846.1 Ų46.165%0.64526%0.257SS*.Hα-helixtrans-77.6-39.2170.6-170.41781800112.1S192 S198 T227S192-Q196 VanDerWaalsContact O-CB 3.31Å; S192-Q196 WeakPolarHBondContact O-CB 3.46Å; S192-Q196 PolarHBondContact O-N 2.95Å; Q196-S198 VanDerWaalsContact C-N 3.33Å; Q196-T227 HydrophobicContact CB-CG2 3.86Å
197S81.2Confident91.4Very high100 Ų10046 Ų4670%0.69926%0.256SS*.Hα-helixtrans-73.7-23.5-176.5680000114.1K193 L194K193-S197 PolarHBondContact O-N 2.83Å; K193-S197 PolarHBondContact O-OG 2.93Å; L194-S197 PolarHBondContact O-OG 3.2Å
198S68.9Low91.5Very high51 Ų5145.9 Ų45.936%0.35726%0.255SS..THydrogen-bonded Turntrans-90.8153177.137.40000109.9L194 Q196 N200L194-S198 PolarHBondContact O-N 2.73Å; L194-S198 PolarHBondContact O-OG 2.7Å; Q196-S198 VanDerWaalsContact C-N 3.33Å; S198-N200 PolarHBondContact O-N 3.14Å; S198-N200 WeakPolarHBondContact OG-CB 3.46Å
199A66.1Low91.5Very high119 Ų11945.4 Ų45.498%0.98326%0.256SS*.THydrogen-bonded Turntrans-68.352.5163.700000110.2
200N77.4Confident91.4Very high38 Ų3844.3 Ų44.320%0.20325%0.25CC..PPolyproline II helixtrans-77.7154.5-167.9-155.2-10.3000110.6R145 W195 S198 K202R145-N200 PolarHBondContact NH1-ND2 3.38Å; R145-N200 PolarHBondContact NH1-OD1 3.06Å; R145-N200 PolarHBondContact NH2-OD1 2.94Å; W195-N200 HydrophobicContact CB-CB 4.49Å; W195-N200 WeakPolarHBondContact CB-ND2 3.39Å; W195-N200 WeakPolarHBondContact O-CB 3.48Å; S198-N200 PolarHBondContact O-N 3.14Å; S198-N200 WeakPolarHBondContact OG-CB 3.46Å; N200-K202 PolarHBondContact O-N 2.8Å
201V89.7Confident91.5Very high55 Ų5542 Ų4233%0.33324%0.239SC..PPolyproline II helixtrans-62125.1176.8-178.40000109.7N121 L143N121-V201 HydrophobicContact CB-CG1 4Å; N121-V201 WeakPolarHBondContact ND2-CG1 3.38Å; L143-V201 HydrophobicContact CD2-CB 4.03Å; L143-V201 HydrophobicContact CD2-CG1 3.64Å; L143-V201 HydrophobicContact CD2-CG2 4.16Å
202K96.3Very high91.5Very high91 Ų9142 Ų4240%0.39624%0.239SC..PPolyproline II helixtrans-85149.1165.7-59.5-69.5178.8171.10109.8N121 N200 T227 S228 C230N121-K202 PolarHBondContact ND2-O 2.69Å; N200-K202 PolarHBondContact O-N 2.8Å; K202-T227 PolarHBondContact NZ-O 3.29Å; K202-S228 WeakPolarHBondContact CA-O 3.13Å; K202-C230 HydrophobicContact CB-CB 3.68Å
203F98.2Very high91.4Very high1 Ų142.9 Ų42.90%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-100.8136.1-174.5-62.2-81.8000112.2N121 V122 L123 L143 R145 Y205 I206 S228 C230N121-F203 HydrophobicContact CB-CD1 3.93Å; V122-F203 WeakPolarHBondContact O-CE1 3.43Å; L123-F203 HydrophobicContact CB-CB 4.26Å; L123-F203 HydrophobicContact CB-CD1 3.57Å; L123-F203 HydrophobicContact CB-CD2 3.76Å; L123-F203 HydrophobicContact CB-CE1 3.74Å; L123-F203 HydrophobicContact CB-CE2 3.93Å; L123-F203 HydrophobicContact CB-CG 3.57Å; L123-F203 HydrophobicContact CB-CZ 3.91Å; L123-F203 HydrophobicContact CD1-CZ 4.39Å; L123-F203 HydrophobicContact CD2-CD2 3.87Å; L123-F203 HydrophobicContact CD2-CE2 3.87Å; L123-F203 HydrophobicContact CD2-CG 4.49Å; L123-F203 HydrophobicContact CD2-CZ 4.48Å; L123-F203 HydrophobicContact CG-CD2 4.42Å; L123-F203 HydrophobicContact CG-CE2 4.34Å; L123-F203 HydrophobicContact CG-CZ 4.49Å; L143-F203 HydrophobicContact CD2-CE1 4.15Å; R145-F203 HydrophobicContact CB-CE1 3.84Å; R145-F203 HydrophobicContact CB-CZ 3.8Å; R145-F203 HydrophobicContact CG-CZ 4.38Å; F203-Y205 VanDerWaalsContact C-N 3.35Å; F203-I206 HydrophobicContact CB-CG1 4.01Å; F203-S228 WeakPolarHBondContact CD2-O 3.47Å; F203-S228 PolarHBondContact N-O 2.99Å; F203-C230 PolarHBondContact O-N 3.35Å; F203-C230 PolarHBondContact O-SG 3.41Å; F203-C230 VanDerWaalsContact O-SG 3.37Å
204D98.5Very high91.3Very high30 Ų3037.7 Ų37.716%0.1622%0.22CC..EExtended strand (participates in β ladder)trans-72.7-33.9170.6-60.3-86.7000110.7K120 N121 G233 I234K120-D204 HydrophobicContact CB-CB 4.05Å; K120-D204 HydrophobicContact CD-CB 4.18Å; K120-D204 HydrophobicContact CG-CB 4.41Å; K120-D204 IonicContact NZ-OD1 2.67Å; N121-D204 PolarHBondContact N-OD2 3.28Å; N121-D204 PolarHBondContact O-N 3.07Å; D204-G233 CarbonylContact O-C 3.6Å; D204-G233 WeakPolarHBondContact O-CA 3.45Å; D204-I234 PolarHBondContact O-N 2.9Å
205Y98.8Very high91.4Very high19 Ų1937.3 Ų37.38%0.07522%0.22CC..EExtended strand (participates in β ladder)trans-132.4134.9176.6-59.9-77.6000111.3F113 K116 M117 K120 N121 V122 L123 F203 F207 I234F113-Y205 AromaticContact CD1-CE1 3.69Å; F113-Y205 HydrophobicContact CD1-CE1 3.69Å; F113-Y205 HydrophobicContact CE1-CE1 4.04Å; K116-Y205 VanDerWaalsContact CB-OH 3.28Å; K116-Y205 WeakPolarHBondContact CB-OH 3.3Å; K116-Y205 PolarHBondContact O-OH 3.2Å; M117-Y205 HydrophobicContact CG-CD2 4.05Å; M117-Y205 HydrophobicContact CG-CE2 3.89Å; K120-Y205 HydrophobicContact CB-CD2 4.26Å; K120-Y205 HydrophobicContact CB-CE2 4.21Å; K120-Y205 HydrophobicContact CG-CE2 4.04Å; N121-Y205 PolarHBondContact O-N 3.46Å; V122-Y205 WeakPolarHBondContact CA-O 3.39Å; V122-Y205 HydrophobicContact CG2-CD2 4.19Å; L123-Y205 PolarHBondContact N-O 3.47Å; F203-Y205 VanDerWaalsContact C-N 3.35Å; Y205-F207 HydrophobicContact CD1-CE1 4.35Å; Y205-F207 HydrophobicContact CG-CE1 4.24Å; Y205-F207 HydrophobicContact CG-CZ 4.27Å; Y205-I234 VanDerWaalsContact CA-O 3.31Å; Y205-I234 WeakPolarHBondContact CA-O 3.36Å; Y205-I234 HydrophobicContact CD1-CB 4.08Å; Y205-I234 HydrophobicContact CE1-CB 4.28Å; Y205-I234 HydrophobicContact CE1-CD1 4.13Å
206I98.8Very high91.3Very high0 Ų040.4 Ų40.40%024%0.238CC..EExtended strand (participates in β ladder)trans-117.9123.4166.2-55.9177.6000108.4L123 L125 F203 L225 L229 I234 V235 L236L123-I206 HydrophobicContact CB-CG1 4.26Å; L123-I206 HydrophobicContact CB-CG2 4.48Å; L123-I206 HydrophobicContact CD2-CD1 4.24Å; L123-I206 HydrophobicContact CD2-CG1 4.21Å; L123-I206 HydrophobicContact CD2-CG2 4.16Å; L123-I206 HydrophobicContact CG-CG2 4.28Å; L123-I206 CarbonylContact O-C 3.58Å; L123-I206 WeakPolarHBondContact O-CA 3.04Å; L125-I206 HydrophobicContact CD1-CG2 3.68Å; L125-I206 HydrophobicContact CG-CG2 4Å; F203-I206 HydrophobicContact CB-CG1 4.01Å; I206-L225 HydrophobicContact CB-CD2 4.31Å; I206-L225 HydrophobicContact CD1-CD2 4.18Å; I206-L225 HydrophobicContact CG2-CD2 3.66Å; I206-L229 HydrophobicContact CB-CD1 4.43Å; I206-L229 HydrophobicContact CD1-CB 3.88Å; I206-L229 HydrophobicContact CD1-CD1 3.71Å; I206-L229 HydrophobicContact CD1-CG 4.43Å; I206-L229 HydrophobicContact CG1-CD1 3.7Å; I206-I234 PolarHBondContact N-O 3.03Å; I206-V235 HydrophobicContact CB-CG1 4.41Å; I206-V235 HydrophobicContact CB-CG2 4.3Å; I206-V235 CarbonylContact O-C 3.59Å; I206-V235 VanDerWaalsContact O-CA 3.31Å; I206-V235 WeakPolarHBondContact O-CA 3.2Å; I206-L236 PolarHBondContact O-N 3.36Å
207F98.9Very high91.6Very high0 Ų034.1 Ų34.10%021%0.208CC..EExtended strand (participates in β ladder)trans-105.6137.5176.1-58.8-26.7000109.2L105 I109 M117 V122 L123 E124 L125 P132 A136 Y205 L236L105-F207 HydrophobicContact CD2-CB 3.89Å; I109-F207 HydrophobicContact CD1-CD1 3.81Å; I109-F207 HydrophobicContact CD1-CD2 3.74Å; I109-F207 HydrophobicContact CD1-CE1 3.7Å; I109-F207 HydrophobicContact CD1-CE2 3.6Å; I109-F207 HydrophobicContact CD1-CG 3.85Å; I109-F207 HydrophobicContact CD1-CZ 3.6Å; I109-F207 HydrophobicContact CG1-CE1 4.07Å; I109-F207 HydrophobicContact CG1-CZ 4.09Å; I109-F207 HydrophobicContact CG2-CZ 4.23Å; M117-F207 HydrophobicContact SD-CE2 3.99Å; M117-F207 HydrophobicContact SD-CZ 3.71Å; V122-F207 HydrophobicContact CG1-CD2 3.61Å; V122-F207 HydrophobicContact CG1-CE2 3.38Å; V122-F207 HydrophobicContact CG1-CG 4.43Å; V122-F207 HydrophobicContact CG1-CZ 4.03Å; L123-F207 PolarHBondContact O-N 3.02Å; E124-F207 CarbonylContact C-O 3.54Å; E124-F207 WeakPolarHBondContact CA-O 3.41Å; E124-F207 HydrophobicContact CG-CB 4.41Å; L125-F207 PolarHBondContact N-O 2.92Å; P132-F207 HydrophobicContact CB-CB 4.01Å; P132-F207 HydrophobicContact CB-CD2 3.86Å; P132-F207 HydrophobicContact CB-CG 4.25Å; A136-F207 HydrophobicContact CB-CE2 4.19Å; Y205-F207 HydrophobicContact CD1-CE1 4.35Å; Y205-F207 HydrophobicContact CG-CE1 4.24Å; Y205-F207 HydrophobicContact CG-CZ 4.27Å; F207-L236 HydrophobicContact CD1-CB 4.11Å; F207-L236 HydrophobicContact CD1-CD1 4.28Å; F207-L236 HydrophobicContact CD1-CG 4.48Å; F207-L236 HydrophobicContact CE1-CB 4.5Å; F207-L236 HydrophobicContact CE1-CD1 3.87Å; F207-L236 HydrophobicContact CE1-CG 4.39Å
208T98.6Very high92.3Very high1 Ų129.6 Ų29.61%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-155.1141.7174.8-170.40000109.7L125 T211 L236 L237 A238L125-T208 WeakPolarHBondContact O-CA 3.17Å; L125-T208 WeakPolarHBondContact O-CB 3.43Å; L125-T208 PolarHBondContact O-OG1 3.5Å; T208-T211 WeakPolarHBondContact CG2-OG1 3.49Å; T208-T211 WeakPolarHBondContact OG1-CB 3.43Å; T208-T211 WeakPolarHBondContact OG1-CG2 3.44Å; T208-T211 PolarHBondContact OG1-OG1 2.88Å; T208-L236 PolarHBondContact N-O 2.97Å; T208-L236 VanDerWaalsContact N-O 3.12Å; T208-L237 HydrophobicContact CG2-CB 3.83Å; T208-L237 HydrophobicContact CG2-CD1 3.77Å; T208-L237 HydrophobicContact CG2-CG 3.71Å; T208-L237 CarbonylContact O-C 3.53Å; T208-L237 VanDerWaalsContact O-CA 3.28Å; T208-L237 WeakPolarHBondContact O-CA 3.4Å; T208-A238 PolarHBondContact O-N 2.81Å
209S97.6Very high93.7Very high15 Ų1532.9 Ų32.911%0.10519%0.186CC..EExtended strand (participates in β ladder)trans-131.1133.2-176.1-60.20000109.7G101 S102 L105 T211 A238G101-S209 PolarHBondContact O-OG 3.31Å; S102-S209 WeakPolarHBondContact CA-OG 3.45Å; L105-S209 WeakPolarHBondContact CD2-OG 3.5Å; S209-T211 VanDerWaalsContact C-N 3.27Å; S209-T211 PolarHBondContact O-N 3.23Å; S209-A238 CarbonylContact C-O 3.42Å; S209-A238 WeakPolarHBondContact CA-O 3.34Å
210E93.9Very high95.2Very high13 Ų1329.4 Ų29.46%0.06115%0.147CC..SBendtrans55.537.4176.2-53.7-77.2102.100113.8W99 Y213 A238 C239 K240 Y243W99-E210 HydrophobicContact CB-CG 3.75Å; W99-E210 HydrophobicContact CD2-CG 4.45Å; W99-E210 HydrophobicContact CG-CG 4.02Å; E210-Y213 WeakPolarHBondContact O-CD1 3.46Å; E210-A238 PolarHBondContact N-O 3.23Å; E210-C239 WeakPolarHBondContact OE1-CA 3.49Å; E210-K240 PolarHBondContact OE1-N 2.86Å; E210-K240 VanDerWaalsContact OE1-N 3.09Å; E210-K240 WeakPolarHBondContact OE2-CD 3.21Å; E210-K240 WeakPolarHBondContact OE2-CE 3.46Å; E210-K240 IonicContact OE2-NZ 3.79Å; E210-K240 PolarHBondContact OE2-NZ 3.22Å; E210-Y243 WeakPolarHBondContact CA-OH 3.37Å; E210-Y243 HydrophobicContact CB-CE1 4.06Å; E210-Y243 HydrophobicContact CG-CE1 4.38Å; E210-Y243 PolarHBondContact OE1-OH 2.87Å; E210-Y243 WeakPolarHBondContact OE2-CE1 3.45Å; E210-Y243 PolarHBondContact OE2-OH 3.43Å
211T96.3Very high96.2Very high6 Ų627.6 Ų27.64%0.03714%0.137CC..  trans-99.61.5-177.244.80000114.9W188 T208 S209W188-T211 HydrophobicContact CH2-CG2 3.68Å; W188-T211 HydrophobicContact CZ2-CG2 3.71Å; T208-T211 WeakPolarHBondContact CG2-OG1 3.49Å; T208-T211 WeakPolarHBondContact OG1-CB 3.43Å; T208-T211 WeakPolarHBondContact OG1-CG2 3.44Å; T208-T211 PolarHBondContact OG1-OG1 2.88Å; S209-T211 VanDerWaalsContact C-N 3.27Å; S209-T211 PolarHBondContact O-N 3.23Å
212I96.4Very high96.6Very high0 Ų025.1 Ų25.10%012%0.122CC..  trans-103.915.7179.165.6164.7000113.4R214 Y218 L221 L237 C239 Y243 G247 W252I212-R214 PolarHBondContact O-N 2.6Å; I212-Y218 HydrophobicContact CB-CE1 3.93Å; I212-Y218 HydrophobicContact CG2-CE1 4.47Å; I212-Y218 WeakPolarHBondContact O-CE1 3.47Å; I212-Y218 PolarHBondContact O-OH 2.94Å; I212-Y218 VanDerWaalsContact O-OH 3.12Å; I212-L221 HydrophobicContact CG2-CD2 3.95Å; I212-L237 HydrophobicContact CD1-CD2 4.49Å; I212-L237 HydrophobicContact CG2-CD1 3.76Å; I212-L237 HydrophobicContact CG2-CD2 4.2Å; I212-C239 HydrophobicContact CD1-CB 3.68Å; I212-C239 HydrophobicContact CG1-CB 3.88Å; I212-Y243 HydrophobicContact CD1-CE2 4.26Å; I212-Y243 HydrophobicContact CG1-CD2 4.44Å; I212-Y243 HydrophobicContact CG1-CE2 3.71Å; I212-G247 WeakPolarHBondContact O-CA 3.35Å; I212-W252 HydrophobicContact CB-CB 4.33Å; I212-W252 HydrophobicContact CB-CG 4.42Å; I212-W252 HydrophobicContact CD1-CB 3.97Å; I212-W252 HydrophobicContact CD1-CG 4.34Å; I212-W252 HydrophobicContact CG2-CB 4.15Å; I212-W252 HydrophobicContact CG2-CD2 3.63Å; I212-W252 HydrophobicContact CG2-CE3 3.95Å; I212-W252 HydrophobicContact CG2-CG 3.71Å
213Y93.1Very high96.7Very high19 Ų1922.5 Ų22.58%0.07511%0.114CC..SBendtrans-67.5-17.5-175.362.5-82000114F6 E93 E210 L217 Y243 G246 G247F6-Y213 AromaticContact CE1-CD2 3.68Å; F6-Y213 HydrophobicContact CE1-CD2 3.68Å; F6-Y213 HydrophobicContact CE1-CE2 4.2Å; F6-Y213 AromaticContact CZ-CD2 3.64Å; F6-Y213 HydrophobicContact CZ-CD2 3.64Å; F6-Y213 HydrophobicContact CZ-CG 4.41Å; E93-Y213 WeakPolarHBondContact CB-OH 3.45Å; E93-Y213 PolarHBondContact OE2-OH 3.48Å; E93-Y213 VanDerWaalsContact OE2-OH 3.06Å; E210-Y213 WeakPolarHBondContact O-CD1 3.46Å; Y213-L217 HydrophobicContact CE1-CD1 4.18Å; Y213-L217 HydrophobicContact CE2-CD1 4.05Å; Y213-L217 WeakPolarHBondContact OH-CD1 3.49Å; Y213-Y243 VanDerWaalsContact CB-CD1 3.48Å; Y213-G246 CarbonylContact O-C 3.53Å; Y213-G246 WeakPolarHBondContact O-CA 3.39Å; Y213-G247 PolarHBondContact O-N 3.12Å
214R92.8Very high96.7Very high10 Ų1022.5 Ų22.54%0.03811%0.114CC..  trans-136.1122.2179.3-90.6178.566.7-162.45.5110.6F6 Y23 P89 E93 I212 D216 L217 Y218F6-R214 HydrophobicContact CD1-CG 4.03Å; F6-R214 HydrophobicContact CE1-CG 3.84Å; F6-R214 HydrophobicContact CE2-CG 4.4Å; F6-R214 HydrophobicContact CG-CG 4.4Å; F6-R214 HydrophobicContact CZ-CG 4.03Å; Y23-R214 PolarHBondContact OH-NH1 3.15Å; Y23-R214 PolarHBondContact OH-NH2 3.48Å; P89-R214 VanDerWaalsContact CB-NH1 3.29Å; E93-R214 IonicContact OE1-NH1 3.26Å; E93-R214 PolarHBondContact OE1-NH1 3.45Å; E93-R214 VanDerWaalsContact OE1-NH1 3.13Å; E93-R214 IonicContact OE2-NH1 3.9Å; E93-R214 PolarHBondContact OE2-NH1 2.72Å; I212-R214 PolarHBondContact O-N 2.6Å; R214-D216 VanDerWaalsContact C-N 3.26Å; R214-D216 WeakPolarHBondContact CB-OD1 3.3Å; R214-D216 IonicContact CZ-OD1 3.57Å; R214-D216 IonicContact CZ-OD2 2.94Å; R214-D216 IonicContact NE-OD1 3.28Å; R214-D216 PolarHBondContact NE-OD1 3.12Å; R214-D216 VanDerWaalsContact NE-OD1 3.08Å; R214-D216 IonicContact NE-OD2 2.67Å; R214-D216 IonicContact NH2-OD1 3.97Å; R214-D216 IonicContact NH2-OD2 2.69Å; R214-D216 PolarHBondContact NH2-OD2 3.44Å; R214-D216 PolarHBondContact O-N 3.14Å; R214-L217 HydrophobicContact CB-CD1 4Å; R214-L217 HydrophobicContact CB-CG 4.12Å; R214-L217 WeakPolarHBondContact O-CB 3.49Å; R214-L217 PolarHBondContact O-N 3.23Å; R214-L217 VanDerWaalsContact O-N 3.17Å; R214-Y218 WeakPolarHBondContact O-CD1 3.46Å; R214-Y218 WeakPolarHBondContact O-CE1 3.47Å
215T93.9Very high96.6Very high68 Ų6821 Ų2142%0.41711%0.106SC..G310 helixtrans-67.7-27.1-174.755.50000112.8L217 Y218T215-L217 PolarHBondContact O-N 2.96Å; T215-Y218 HydrophobicContact CG2-CE1 4.45Å; T215-Y218 HydrophobicContact CG2-CE2 3.89Å; T215-Y218 WeakPolarHBondContact O-CB 3.22Å; T215-Y218 PolarHBondContact O-N 2.92Å
216D92.6Very high96.6Very high75 Ų7523.8 Ų23.840%0.40112%0.12SC..G310 helixtrans-71.1-13.3176.764.3-64.9000113.5R214R214-D216 VanDerWaalsContact C-N 3.26Å; R214-D216 WeakPolarHBondContact CB-OD1 3.3Å; R214-D216 IonicContact CZ-OD1 3.57Å; R214-D216 IonicContact CZ-OD2 2.94Å; R214-D216 IonicContact NE-OD1 3.28Å; R214-D216 PolarHBondContact NE-OD1 3.12Å; R214-D216 VanDerWaalsContact NE-OD1 3.08Å; R214-D216 IonicContact NE-OD2 2.67Å; R214-D216 IonicContact NH2-OD1 3.97Å; R214-D216 IonicContact NH2-OD2 2.69Å; R214-D216 PolarHBondContact NH2-OD2 3.44Å; R214-D216 PolarHBondContact O-N 3.14Å
217L94.8Very high96.4Very high5 Ų524.7 Ų24.73%0.02613%0.125CC..G310 helixtrans-89.3-6.8173-64.9178.5000113.5Y23 W188 Y213 R214 T215 E219 R220 L221Y23-L217 HydrophobicContact CE1-CD2 3.81Å; Y23-L217 HydrophobicContact CE2-CD2 4.45Å; Y23-L217 VanDerWaalsContact OH-CD2 3.25Å; Y23-L217 WeakPolarHBondContact OH-CD2 3.31Å; W188-L217 HydrophobicContact CZ3-CB 4.32Å; Y213-L217 HydrophobicContact CE1-CD1 4.18Å; Y213-L217 HydrophobicContact CE2-CD1 4.05Å; Y213-L217 WeakPolarHBondContact OH-CD1 3.49Å; R214-L217 HydrophobicContact CB-CD1 4Å; R214-L217 HydrophobicContact CB-CG 4.12Å; R214-L217 WeakPolarHBondContact O-CB 3.49Å; R214-L217 PolarHBondContact O-N 3.23Å; R214-L217 VanDerWaalsContact O-N 3.17Å; T215-L217 PolarHBondContact O-N 2.96Å; L217-E219 VanDerWaalsContact C-N 3.34Å; L217-E219 PolarHBondContact O-N 3.18Å; L217-R220 WeakPolarHBondContact O-CB 3.3Å; L217-R220 PolarHBondContact O-N 3.32Å; L217-R220 VanDerWaalsContact O-N 3.09Å; L217-L221 PolarHBondContact O-N 3.2Å
218Y97.4Very high96.4Very high6 Ų624.8 Ų24.82%0.02413%0.126CC..Hα-helixtrans-61.9-39.6-171.2-73.94.7000113I212 R214 T215 L221 H222 G247 N248 D251 W252 Y255I212-Y218 HydrophobicContact CB-CE1 3.93Å; I212-Y218 HydrophobicContact CG2-CE1 4.47Å; I212-Y218 WeakPolarHBondContact O-CE1 3.47Å; I212-Y218 PolarHBondContact O-OH 2.94Å; I212-Y218 VanDerWaalsContact O-OH 3.12Å; R214-Y218 WeakPolarHBondContact O-CD1 3.46Å; R214-Y218 WeakPolarHBondContact O-CE1 3.47Å; T215-Y218 HydrophobicContact CG2-CE1 4.45Å; T215-Y218 HydrophobicContact CG2-CE2 3.89Å; T215-Y218 WeakPolarHBondContact O-CB 3.22Å; T215-Y218 PolarHBondContact O-N 2.92Å; Y218-L221 PolarHBondContact O-N 3.01Å; Y218-H222 WeakPolarHBondContact O-CB 3.46Å; Y218-H222 PolarHBondContact O-N 3.15Å; Y218-G247 WeakPolarHBondContact OH-CA 3.49Å; Y218-N248 PolarHBondContact OH-O 2.79Å; Y218-D251 HydrophobicContact CE2-CB 4.08Å; Y218-W252 AromaticContact CD1-CE3 3.94Å; Y218-W252 HydrophobicContact CD1-CE3 3.94Å; Y218-W252 HydrophobicContact CD1-CZ3 4.28Å; Y218-W252 HydrophobicContact CD2-CE3 4.06Å; Y218-W252 HydrophobicContact CE1-CE3 4.21Å; Y218-W252 HydrophobicContact CE2-CB 4.26Å; Y218-W252 HydrophobicContact CE2-CE3 4.33Å; Y218-W252 AromaticContact CG-CE3 3.86Å; Y218-W252 HydrophobicContact CG-CE3 3.86Å; Y218-W252 HydrophobicContact CG-CZ3 4.14Å; Y218-Y255 HydrophobicContact CD2-CD2 4.17Å; Y218-Y255 AromaticContact CD2-CG 3.98Å; Y218-Y255 HydrophobicContact CD2-CG 3.98Å
219E97.6Very high96.3Very high119 Ų11924.9 Ų24.956%0.55613%0.126SC*.Hα-helixtrans-61.3-45.6174.6-176-174.4-168.800111.5L217 H222 T223 Y255L217-E219 VanDerWaalsContact C-N 3.34Å; L217-E219 PolarHBondContact O-N 3.18Å; E219-H222 PolarHBondContact O-N 3.49Å; E219-T223 VanDerWaalsContact O-CB 3.23Å; E219-T223 WeakPolarHBondContact O-CB 3.49Å; E219-T223 PolarHBondContact O-N 3.42Å; E219-T223 PolarHBondContact O-OG1 3.33Å; E219-Y255 VanDerWaalsContact CA-OH 3.25Å; E219-Y255 WeakPolarHBondContact CA-OH 3.32Å
220R97.2Very high96.3Very high46 Ų4625.2 Ų25.217%0.17413%0.129CC..Hα-helixtrans-63.2-46-179.3-58177.7176.4-84.5-7.9110.8Y23 D187 W188 L189 L217 I224Y23-R220 VanDerWaalsContact CD2-CZ 3.49Å; Y23-R220 VanDerWaalsContact CD2-NH2 3.3Å; D187-R220 IonicContact OD1-NH1 2.68Å; D187-R220 PolarHBondContact OD1-NH1 3.2Å; D187-R220 WeakPolarHBondContact OD2-CD 3.33Å; D187-R220 IonicContact OD2-CZ 3.51Å; D187-R220 IonicContact OD2-NE 2.72Å; D187-R220 IonicContact OD2-NH1 3.78Å; D187-R220 PolarHBondContact OD2-NH1 3.02Å; W188-R220 HydrophobicContact CB-CB 4.15Å; W188-R220 WeakPolarHBondContact CB-O 3.35Å; W188-R220 HydrophobicContact CE3-CB 4.14Å; L189-R220 HydrophobicContact CB-CB 4.48Å; L189-R220 HydrophobicContact CB-CG 4.19Å; L217-R220 WeakPolarHBondContact O-CB 3.3Å; L217-R220 PolarHBondContact O-N 3.32Å; L217-R220 VanDerWaalsContact O-N 3.09Å; R220-I224 PolarHBondContact O-N 3.46Å
221L98.4Very high96.4Very high0 Ų031.7 Ų31.70%016%0.159CC..Hα-helixtrans-64.1-52.1177.8-178.757.9000111.1W188 I212 L217 Y218 T223 I224 L225 L237 W252W188-L221 HydrophobicContact CD2-CD1 4.43Å; W188-L221 HydrophobicContact CE3-CB 3.75Å; W188-L221 HydrophobicContact CE3-CD1 4.15Å; W188-L221 HydrophobicContact CH2-CD1 4.04Å; W188-L221 HydrophobicContact CZ2-CD1 4.3Å; W188-L221 HydrophobicContact CZ3-CB 3.65Å; W188-L221 HydrophobicContact CZ3-CD1 3.95Å; W188-L221 HydrophobicContact CZ3-CG 4.24Å; I212-L221 HydrophobicContact CG2-CD2 3.95Å; L217-L221 PolarHBondContact O-N 3.2Å; Y218-L221 PolarHBondContact O-N 3.01Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.26Å; L221-I224 WeakPolarHBondContact O-CG2 3.32Å; L221-I224 PolarHBondContact O-N 2.93Å; L221-L225 HydrophobicContact CD1-CD1 4.26Å; L221-L225 HydrophobicContact CD1-CG 4.25Å; L221-L225 HydrophobicContact CG-CD1 4.09Å; L221-L225 HydrophobicContact CG-CG 4.49Å; L221-L225 VanDerWaalsContact O-CG 3.26Å; L221-L225 WeakPolarHBondContact O-CG 3.4Å; L221-L225 PolarHBondContact O-N 2.91Å; L221-L237 HydrophobicContact CD2-CD1 4.32Å; L221-W252 HydrophobicContact CB-CH2 4.36Å; L221-W252 HydrophobicContact CB-CZ3 4.45Å; L221-W252 HydrophobicContact CD2-CH2 3.75Å; L221-W252 HydrophobicContact CD2-CZ2 4.22Å; L221-W252 HydrophobicContact CD2-CZ3 3.95Å; L221-W252 HydrophobicContact CG-CH2 3.89Å; L221-W252 HydrophobicContact CG-CZ3 4.34Å
222H98.5Very high96.5Very high4 Ų436.3 Ų36.32%0.01919%0.192CC..Hα-helixtrans-59.3-44.9-179.2-176.9-76.4000111.6Y218 E219 I224 L225 E226 W252 Y255 L259 F262Y218-H222 WeakPolarHBondContact O-CB 3.46Å; Y218-H222 PolarHBondContact O-N 3.15Å; E219-H222 PolarHBondContact O-N 3.49Å; H222-I224 VanDerWaalsContact C-N 3.35Å; H222-I224 PolarHBondContact O-N 2.93Å; H222-L225 PolarHBondContact O-N 3Å; H222-E226 IonicContact CE1-OE2 3.75Å; H222-E226 IonicContact ND1-OE2 3.11Å; H222-E226 WeakPolarHBondContact O-CB 3.5Å; H222-E226 PolarHBondContact O-N 3.08Å; H222-W252 HydrophobicContact CB-CH2 4.25Å; H222-Y255 HydrophobicContact CB-CE1 3.81Å; H222-L259 HydrophobicContact CB-CD1 4.45Å; H222-F262 AromaticContact CE1-CE2 3.98Å; H222-F262 AromaticContact NE2-CD2 3.44Å; H222-F262 WeakPolarHBondContact NE2-CD2 3.45Å; H222-F262 AromaticContact NE2-CE2 3.61Å
223T97.8Very high96.6Very high36 Ų3636.4 Ų36.422%0.22119%0.192CC..Hα-helixtrans-60.5-42.4-179.7-57.30000111.8L189 E219 L221 T227L189-T223 HydrophobicContact CD1-CG2 3.96Å; E219-T223 VanDerWaalsContact O-CB 3.23Å; E219-T223 WeakPolarHBondContact O-CB 3.49Å; E219-T223 PolarHBondContact O-N 3.42Å; E219-T223 PolarHBondContact O-OG1 3.33Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.26Å; T223-T227 VanDerWaalsContact O-CB 3.23Å; T223-T227 WeakPolarHBondContact O-CB 3.4Å; T223-T227 PolarHBondContact O-N 3.41Å; T223-T227 PolarHBondContact O-OG1 2.56Å
224I97.7Very high96.8Very high0 Ų036.9 Ų36.90%020%0.196CC..Hα-helixtrans-71.9-35.3178.7-166.1161.2000112.2L125 W188 L191 S192 W195 R220 L221 H222 T227 S228L125-I224 HydrophobicContact CD1-CG1 4.38Å; L125-I224 HydrophobicContact CD1-CG2 3.68Å; L125-I224 HydrophobicContact CD2-CD1 3.71Å; L125-I224 HydrophobicContact CD2-CG1 4.18Å; L125-I224 HydrophobicContact CD2-CG2 4.43Å; W188-I224 HydrophobicContact CB-CB 4.01Å; W188-I224 HydrophobicContact CB-CD1 4.05Å; W188-I224 HydrophobicContact CB-CG2 3.73Å; W188-I224 HydrophobicContact CD2-CG2 4.38Å; W188-I224 HydrophobicContact CG-CD1 4.27Å; W188-I224 HydrophobicContact CG-CG2 3.83Å; L191-I224 HydrophobicContact CB-CD1 3.76Å; L191-I224 HydrophobicContact CD1-CD1 4.34Å; S192-I224 WeakPolarHBondContact OG-CA 3.43Å; S192-I224 VanDerWaalsContact OG-CB 3.25Å; S192-I224 WeakPolarHBondContact OG-CB 3.37Å; S192-I224 PolarHBondContact OG-N 3.22Å; W195-I224 HydrophobicContact CE3-CD1 4.26Å; W195-I224 HydrophobicContact CE3-CG1 4.34Å; W195-I224 HydrophobicContact CH2-CD1 4.35Å; W195-I224 HydrophobicContact CZ3-CD1 3.8Å; W195-I224 HydrophobicContact CZ3-CG1 4.11Å; R220-I224 PolarHBondContact O-N 3.46Å; L221-I224 WeakPolarHBondContact O-CG2 3.32Å; L221-I224 PolarHBondContact O-N 2.93Å; H222-I224 VanDerWaalsContact C-N 3.35Å; H222-I224 PolarHBondContact O-N 2.93Å; I224-T227 PolarHBondContact O-N 2.94Å; I224-S228 WeakPolarHBondContact O-CB 3.31Å; I224-S228 PolarHBondContact O-N 3Å; I224-S228 PolarHBondContact O-OG 3.38Å
225L98.4Very high97.1Very high0 Ų036.4 Ų36.40%019%0.194CC..Hα-helixtrans-61.1-50.1173.7-68176.2000110.4L125 I206 L221 H222 T227 S228 L229 V235 W252 F262 M281L125-L225 HydrophobicContact CD1-CD2 3.72Å; L125-L225 HydrophobicContact CD1-CG 4.48Å; I206-L225 HydrophobicContact CB-CD2 4.31Å; I206-L225 HydrophobicContact CD1-CD2 4.18Å; I206-L225 HydrophobicContact CG2-CD2 3.66Å; L221-L225 HydrophobicContact CD1-CD1 4.26Å; L221-L225 HydrophobicContact CD1-CG 4.25Å; L221-L225 HydrophobicContact CG-CD1 4.09Å; L221-L225 HydrophobicContact CG-CG 4.49Å; L221-L225 VanDerWaalsContact O-CG 3.26Å; L221-L225 WeakPolarHBondContact O-CG 3.4Å; L221-L225 PolarHBondContact O-N 2.91Å; H222-L225 PolarHBondContact O-N 3Å; L225-T227 PolarHBondContact O-N 3.38Å; L225-S228 PolarHBondContact O-N 3.46Å; L225-L229 VanDerWaalsContact O-CB 3.25Å; L225-L229 WeakPolarHBondContact O-CB 3.49Å; L225-L229 PolarHBondContact O-N 2.87Å; L225-V235 HydrophobicContact CD1-CG1 4.27Å; L225-V235 HydrophobicContact CD2-CG1 3.72Å; L225-V235 HydrophobicContact CD2-CG2 4.02Å; L225-W252 HydrophobicContact CD1-CH2 4.19Å; L225-W252 HydrophobicContact CD1-CZ2 4.05Å; L225-F262 HydrophobicContact CB-CE2 4.24Å; L225-F262 HydrophobicContact CB-CZ 4.12Å; L225-M281 HydrophobicContact CD1-CE 4.38Å; L225-M281 HydrophobicContact CD1-SD 4.47Å
226E97.3Very high97.3Very high77 Ų7733.1 Ų33.136%0.3617%0.174SC..Hα-helixtrans-62.6-42.9177.6-178.7178-177.700112H222 S228 V261 F262 R283H222-E226 IonicContact CE1-OE2 3.75Å; H222-E226 IonicContact ND1-OE2 3.11Å; H222-E226 WeakPolarHBondContact O-CB 3.5Å; H222-E226 PolarHBondContact O-N 3.08Å; E226-S228 VanDerWaalsContact C-N 3.3Å; E226-S228 PolarHBondContact O-N 2.91Å; E226-V261 HydrophobicContact CB-CG1 4.36Å; E226-V261 HydrophobicContact CG-CG1 3.91Å; E226-F262 HydrophobicContact CB-CE2 4.23Å; E226-F262 HydrophobicContact CB-CZ 4.17Å; E226-R283 PolarHBondContact O-NH2 3.17Å
227T96.2Very high97.6Very high18 Ų1829.6 Ų29.611%0.1116%0.155CC..Hα-helixtrans-68.7-31.7-178.9-60.80000111.9S192 Q196 K202 T223 I224 L225S192-T227 WeakPolarHBondContact O-CG2 3.47Å; Q196-T227 HydrophobicContact CB-CG2 3.86Å; K202-T227 PolarHBondContact NZ-O 3.29Å; T223-T227 VanDerWaalsContact O-CB 3.23Å; T223-T227 WeakPolarHBondContact O-CB 3.4Å; T223-T227 PolarHBondContact O-N 3.41Å; T223-T227 PolarHBondContact O-OG1 2.56Å; I224-T227 PolarHBondContact O-N 2.94Å; L225-T227 PolarHBondContact O-N 3.38Å
228S96.9Very high97.8Very high3 Ų329.4 Ų29.42%0.02115%0.154CC..Hα-helixtrans-98.4-26.2-168.8-50.10000113.5W195 K202 F203 I224 L225 E226W195-S228 VanDerWaalsContact CE3-OG 3.31Å; K202-S228 WeakPolarHBondContact CA-O 3.13Å; F203-S228 WeakPolarHBondContact CD2-O 3.47Å; F203-S228 PolarHBondContact N-O 2.99Å; I224-S228 WeakPolarHBondContact O-CB 3.31Å; I224-S228 PolarHBondContact O-N 3Å; I224-S228 PolarHBondContact O-OG 3.38Å; L225-S228 PolarHBondContact O-N 3.46Å; E226-S228 VanDerWaalsContact C-N 3.3Å; E226-S228 PolarHBondContact O-N 2.91Å
229L97.9Very high97.8Very high2 Ų229.1 Ų29.11%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-75.4137.7-174.4-162.272.4000112.4I206 L225 V235 F262 R283I206-L229 HydrophobicContact CB-CD1 4.43Å; I206-L229 HydrophobicContact CD1-CB 3.88Å; I206-L229 HydrophobicContact CD1-CD1 3.71Å; I206-L229 HydrophobicContact CD1-CG 4.43Å; I206-L229 HydrophobicContact CG1-CD1 3.7Å; L225-L229 VanDerWaalsContact O-CB 3.25Å; L225-L229 WeakPolarHBondContact O-CB 3.49Å; L225-L229 PolarHBondContact O-N 2.87Å; L229-V235 HydrophobicContact CD1-CG2 4.08Å; L229-V235 HydrophobicContact CD2-CG2 3.94Å; L229-F262 HydrophobicContact CD2-CE1 3.7Å; L229-R283 HydrophobicContact CD2-CG 4.36Å; L229-R283 PolarHBondContact O-NH2 3.24Å
230C96.7Very high97.7Very high23 Ų2324.9 Ų24.916%0.15513%0.133CC..EExtended strand (participates in β ladder)trans-71.1170.9170.279.50000111.4K202 F203 S232 G233 R283K202-C230 HydrophobicContact CB-CB 3.68Å; F203-C230 PolarHBondContact O-N 3.35Å; F203-C230 PolarHBondContact O-SG 3.41Å; F203-C230 VanDerWaalsContact O-SG 3.37Å; C230-S232 VanDerWaalsContact C-N 3.29Å; C230-S232 PolarHBondContact O-N 3.34Å; C230-G233 PolarHBondContact O-N 2.86Å; C230-G233 VanDerWaalsContact SG-CA 3.53Å; C230-G233 PolarHBondContact SG-N 2.75Å; C230-R283 PolarHBondContact O-NE 2.7Å
231Q96.7Very high97.6Very high149 Ų14924 Ų2470%0.69614%0.135SC*.EExtended strand (participates in β ladder)trans-61.7-37.8-175.7-172.959.840.700112.6
232S97.4Very high97.4Very high103 Ų10326.9 Ų26.972%0.7216%0.156SC*.EExtended strand (participates in β ladder)trans-98.813.2179.260.70000113.3C230C230-S232 VanDerWaalsContact C-N 3.29Å; C230-S232 PolarHBondContact O-N 3.34Å
233G98.4Very high97.1Very high1 Ų126.9 Ų26.91%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-76.1164.3-172.600000112.8D204 C230D204-G233 CarbonylContact O-C 3.6Å; D204-G233 WeakPolarHBondContact O-CA 3.45Å; C230-G233 PolarHBondContact O-N 2.86Å; C230-G233 VanDerWaalsContact SG-CA 3.53Å; C230-G233 PolarHBondContact SG-N 2.75Å
234I98.7Very high96.5Very high29 Ų2928.5 Ų28.515%0.14917%0.173CC..EExtended strand (participates in β ladder)trans-126128.5178.4-58.6174.2000109.9F113 D204 Y205 I206 L236 K280 I282F113-I234 HydrophobicContact CE1-CD1 3.99Å; D204-I234 PolarHBondContact O-N 2.9Å; Y205-I234 VanDerWaalsContact CA-O 3.31Å; Y205-I234 WeakPolarHBondContact CA-O 3.36Å; Y205-I234 HydrophobicContact CD1-CB 4.08Å; Y205-I234 HydrophobicContact CE1-CB 4.28Å; Y205-I234 HydrophobicContact CE1-CD1 4.13Å; I206-I234 PolarHBondContact N-O 3.03Å; I234-L236 HydrophobicContact CG2-CD2 3.9Å; I234-L236 HydrophobicContact CG2-CG 4.16Å; I234-K280 HydrophobicContact CG2-CD 4.35Å; I234-K280 HydrophobicContact CG2-CG 3.76Å; I234-I282 HydrophobicContact CG1-CG2 4.01Å
235V98.9Very high95.6Very high0 Ų032.5 Ų32.50%020%0.199CC..EExtended strand (participates in β ladder)trans-91.6133.2164.3-172.30000108.7I206 L225 L229 K280 M281I206-V235 HydrophobicContact CB-CG1 4.41Å; I206-V235 HydrophobicContact CB-CG2 4.3Å; I206-V235 CarbonylContact O-C 3.59Å; I206-V235 VanDerWaalsContact O-CA 3.31Å; I206-V235 WeakPolarHBondContact O-CA 3.2Å; L225-V235 HydrophobicContact CD1-CG1 4.27Å; L225-V235 HydrophobicContact CD2-CG1 3.72Å; L225-V235 HydrophobicContact CD2-CG2 4.02Å; L229-V235 HydrophobicContact CD1-CG2 4.08Å; L229-V235 HydrophobicContact CD2-CG2 3.94Å; V235-K280 CarbonylContact O-C 3.59Å; V235-K280 WeakPolarHBondContact O-CA 3.07Å; V235-M281 HydrophobicContact CB-CB 4Å; V235-M281 HydrophobicContact CB-CG 4.44Å; V235-M281 HydrophobicContact CG1-SD 4.47Å; V235-M281 HydrophobicContact CG2-CB 4.39Å; V235-M281 PolarHBondContact N-O 3.16Å; V235-M281 PolarHBondContact O-N 3.34Å
236L98.8Very high95.1Very high0 Ų033.2 Ų33.20%021%0.206CC..EExtended strand (participates in β ladder)trans-118.3111.5167.6-60.4178.3000108.6L105 Y108 I109 F113 I206 F207 T208 I234 I278 K280L105-L236 HydrophobicContact CD1-CB 3.72Å; L105-L236 HydrophobicContact CD1-CD1 4.49Å; Y108-L236 HydrophobicContact CD1-CD1 4.29Å; Y108-L236 HydrophobicContact CE1-CD1 4.34Å; Y108-L236 HydrophobicContact CE1-CD2 4.08Å; I109-L236 HydrophobicContact CG1-CD1 3.88Å; F113-L236 HydrophobicContact CD2-CD1 4Å; F113-L236 HydrophobicContact CE2-CD1 3.95Å; F113-L236 HydrophobicContact CE2-CD2 4.36Å; F113-L236 HydrophobicContact CG-CD1 4.44Å; F113-L236 HydrophobicContact CZ-CD1 4.28Å; F113-L236 HydrophobicContact CZ-CD2 4.28Å; I206-L236 PolarHBondContact O-N 3.36Å; F207-L236 HydrophobicContact CD1-CB 4.11Å; F207-L236 HydrophobicContact CD1-CD1 4.28Å; F207-L236 HydrophobicContact CD1-CG 4.48Å; F207-L236 HydrophobicContact CE1-CB 4.5Å; F207-L236 HydrophobicContact CE1-CD1 3.87Å; F207-L236 HydrophobicContact CE1-CG 4.39Å; T208-L236 PolarHBondContact N-O 2.97Å; T208-L236 VanDerWaalsContact N-O 3.12Å; I234-L236 HydrophobicContact CG2-CD2 3.9Å; I234-L236 HydrophobicContact CG2-CG 4.16Å; L236-I278 HydrophobicContact CD2-CG2 4.34Å; L236-K280 HydrophobicContact CD2-CB 4.02Å; L236-K280 HydrophobicContact CD2-CG 3.97Å
237L98.7Very high94.9Very high0 Ų029.6 Ų29.60%019%0.189CC..EExtended strand (participates in β ladder)trans-110.2116.3-178.6-176.1152.7000109.9T208 I212 L221 C239 W252 I278 V279T208-L237 HydrophobicContact CG2-CB 3.83Å; T208-L237 HydrophobicContact CG2-CD1 3.77Å; T208-L237 HydrophobicContact CG2-CG 3.71Å; T208-L237 CarbonylContact O-C 3.53Å; T208-L237 VanDerWaalsContact O-CA 3.28Å; T208-L237 WeakPolarHBondContact O-CA 3.4Å; I212-L237 HydrophobicContact CD1-CD2 4.49Å; I212-L237 HydrophobicContact CG2-CD1 3.76Å; I212-L237 HydrophobicContact CG2-CD2 4.2Å; L221-L237 HydrophobicContact CD2-CD1 4.32Å; L237-C239 HydrophobicContact CD2-CB 3.67Å; L237-W252 HydrophobicContact CD1-CZ2 4.22Å; L237-I278 CarbonylContact O-C 3.56Å; L237-I278 WeakPolarHBondContact O-CA 3.35Å; L237-V279 HydrophobicContact CB-CB 4.34Å; L237-V279 HydrophobicContact CD2-CG2 4.47Å; L237-V279 PolarHBondContact N-O 3.02Å; L237-V279 PolarHBondContact O-N 3.32Å
238A98.3Very high94.9Very high1 Ų130.2 Ų30.21%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-90.8132.9171.600000110.5G101 L105 T208 S209 E210 Y277 I278G101-A238 WeakPolarHBondContact O-CB 3.19Å; L105-A238 HydrophobicContact CB-CB 3.94Å; L105-A238 HydrophobicContact CD2-CB 4.5Å; T208-A238 PolarHBondContact O-N 2.81Å; S209-A238 CarbonylContact C-O 3.42Å; S209-A238 WeakPolarHBondContact CA-O 3.34Å; E210-A238 PolarHBondContact N-O 3.23Å; A238-Y277 WeakPolarHBondContact CA-O 3.36Å; A238-I278 HydrophobicContact CB-CD1 3.6Å
239C97.3Very high94.9Very high1 Ų130.3 Ų30.31%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-151.3156.8-179.957.90000114E210 I212 L237 Y243 R276 Y277E210-C239 WeakPolarHBondContact OE1-CA 3.49Å; I212-C239 HydrophobicContact CD1-CB 3.68Å; I212-C239 HydrophobicContact CG1-CB 3.88Å; L237-C239 HydrophobicContact CD2-CB 3.67Å; C239-Y243 WeakPolarHBondContact CA-OH 3.47Å; C239-Y243 HydrophobicContact CB-CE2 4.28Å; C239-Y243 VanDerWaalsContact CB-OH 3.28Å; C239-Y243 WeakPolarHBondContact CB-OH 3.14Å; C239-R276 CarbonylContact O-C 3.58Å; C239-R276 VanDerWaalsContact O-CA 3.24Å; C239-R276 WeakPolarHBondContact O-CA 3.43Å; C239-Y277 PolarHBondContact N-O 3.14Å; C239-Y277 PolarHBondContact O-N 3.07Å
240K95.7Very high94.8Very high29 Ų2937 Ų3713%0.12622%0.221CC..EExtended strand (participates in β ladder)trans-70.3155.8159.7-65.5172.9-175.91240110.2E210 S242 Y243 V274 I275 R276E210-K240 PolarHBondContact OE1-N 2.86Å; E210-K240 VanDerWaalsContact OE1-N 3.09Å; E210-K240 WeakPolarHBondContact OE2-CD 3.21Å; E210-K240 WeakPolarHBondContact OE2-CE 3.46Å; E210-K240 IonicContact OE2-NZ 3.79Å; E210-K240 PolarHBondContact OE2-NZ 3.22Å; K240-S242 PolarHBondContact O-N 2.91Å; K240-Y243 HydrophobicContact CB-CD2 4.45Å; K240-Y243 HydrophobicContact CB-CE1 4.26Å; K240-Y243 HydrophobicContact CB-CE2 3.94Å; K240-Y243 HydrophobicContact CD-CD1 4.3Å; K240-Y243 HydrophobicContact CD-CE1 4.08Å; K240-Y243 HydrophobicContact CG-CE1 4.34Å; K240-Y243 PolarHBondContact N-OH 2.85Å; K240-V274 HydrophobicContact CB-CG1 4.38Å; K240-V274 HydrophobicContact CD-CG1 3.99Å; K240-V274 HydrophobicContact CG-CG1 3.79Å; K240-I275 CarbonylContact C-O 3.5Å; K240-I275 WeakPolarHBondContact CA-O 3.21Å; K240-R276 HydrophobicContact CG-CG 4.24Å
241A95.4Very high94.9Very high28 Ų2839.4 Ų39.423%0.23123%0.233CC..SBendtrans-57-38.4170.700000111.9N248 I249 I275 Y277A241-N248 WeakPolarHBondContact O-CA 3.29Å; A241-N248 VanDerWaalsContact O-CB 3.24Å; A241-N248 WeakPolarHBondContact O-CB 3.47Å; A241-I249 PolarHBondContact O-N 3.43Å; A241-I275 HydrophobicContact CB-CB 3.95Å; A241-I275 HydrophobicContact CB-CG2 4.24Å; A241-I275 PolarHBondContact N-O 3.43Å; A241-Y277 HydrophobicContact CB-CD2 4.44Å; A241-Y277 HydrophobicContact CB-CE2 3.79Å
242S94.7Very high95Very high61 Ų6132.3 Ų32.343%0.42720%0.2SC..BIsolated β-bridgetrans-154.4146.6-178.3176.70000111.5K240 A244K240-S242 PolarHBondContact O-N 2.91Å; S242-A244 PolarHBondContact OG-N 2.92Å
243Y91.4Very high95Very high3 Ų329 Ų291%0.01217%0.173CC..  trans-116.536.6178.7-61.1-102.1000111.3F4 E210 I212 Y213 C239 K240 G246 G247F4-Y243 AromaticContact CE2-CD1 3.62Å; F4-Y243 HydrophobicContact CE2-CD1 3.62Å; F4-Y243 HydrophobicContact CE2-CG 4.33Å; F4-Y243 AromaticContact CZ-CD1 3.62Å; F4-Y243 HydrophobicContact CZ-CD1 3.62Å; F4-Y243 HydrophobicContact CZ-CE1 4.35Å; E210-Y243 WeakPolarHBondContact CA-OH 3.37Å; E210-Y243 HydrophobicContact CB-CE1 4.06Å; E210-Y243 HydrophobicContact CG-CE1 4.38Å; E210-Y243 PolarHBondContact OE1-OH 2.87Å; E210-Y243 WeakPolarHBondContact OE2-CE1 3.45Å; E210-Y243 PolarHBondContact OE2-OH 3.43Å; I212-Y243 HydrophobicContact CD1-CE2 4.26Å; I212-Y243 HydrophobicContact CG1-CD2 4.44Å; I212-Y243 HydrophobicContact CG1-CE2 3.71Å; Y213-Y243 VanDerWaalsContact CB-CD1 3.48Å; C239-Y243 WeakPolarHBondContact CA-OH 3.47Å; C239-Y243 HydrophobicContact CB-CE2 4.28Å; C239-Y243 VanDerWaalsContact CB-OH 3.28Å; C239-Y243 WeakPolarHBondContact CB-OH 3.14Å; K240-Y243 HydrophobicContact CB-CD2 4.45Å; K240-Y243 HydrophobicContact CB-CE1 4.26Å; K240-Y243 HydrophobicContact CB-CE2 3.94Å; K240-Y243 HydrophobicContact CD-CD1 4.3Å; K240-Y243 HydrophobicContact CD-CE1 4.08Å; K240-Y243 HydrophobicContact CG-CE1 4.34Å; K240-Y243 PolarHBondContact N-OH 2.85Å; Y243-G246 WeakPolarHBondContact O-CA 3.34Å; Y243-G246 PolarHBondContact O-N 3.46Å; Y243-G247 WeakPolarHBondContact CB-O 3.39Å; Y243-G247 WeakPolarHBondContact CD2-O 3.19Å; Y243-G247 PolarHBondContact N-O 3.25Å
244A85.1Confident95Very high71 Ų7132.1 Ų32.159%0.58719%0.193SC*.THydrogen-bonded Turntrans-43.2132.4-169.200000114.4S242 G246S242-A244 PolarHBondContact OG-N 2.92Å; A244-G246 VanDerWaalsContact C-N 3.3Å
245P78.1Confident95Very high83 Ų8334 Ų3454%0.53920%0.198SC..THydrogen-bonded Turncis-84.215.93.235.7-37.1000114.8F6 Y7F6-P245 HydrophobicContact CD2-CG 4.4Å; Y7-P245 HydrophobicContact CD2-CB 4.41Å; Y7-P245 HydrophobicContact CD2-CG 3.72Å; Y7-P245 HydrophobicContact CE2-CB 4.4Å; Y7-P245 HydrophobicContact CE2-CG 3.99Å
246G88.9Confident95Very high16 Ų1634 Ų3417%0.16520%0.198CC..SBendtrans-79-151.8-179.800000114.8Y213 Y243 A244Y213-G246 CarbonylContact O-C 3.53Å; Y213-G246 WeakPolarHBondContact O-CA 3.39Å; Y243-G246 WeakPolarHBondContact O-CA 3.34Å; Y243-G246 PolarHBondContact O-N 3.46Å; A244-G246 VanDerWaalsContact C-N 3.3Å
247G92.7Very high95Very high0 Ų041 Ų410%023%0.231CC..  trans-69.9170-178.900000114.1I212 Y213 Y218 Y243I212-G247 WeakPolarHBondContact O-CA 3.35Å; Y213-G247 PolarHBondContact O-N 3.12Å; Y218-G247 WeakPolarHBondContact OH-CA 3.49Å; Y243-G247 WeakPolarHBondContact CB-O 3.39Å; Y243-G247 WeakPolarHBondContact CD2-O 3.19Å; Y243-G247 PolarHBondContact N-O 3.25Å
248N96.2Very high94.9Very high32 Ų3247 Ų4717%0.17126%0.263CS..BIsolated β-bridgetrans-147.6166176.565.972.6000110Y218 A241 F250 D251 W252Y218-N248 PolarHBondContact OH-O 2.79Å; A241-N248 WeakPolarHBondContact O-CA 3.29Å; A241-N248 VanDerWaalsContact O-CB 3.24Å; A241-N248 WeakPolarHBondContact O-CB 3.47Å; N248-F250 VanDerWaalsContact C-N 3.29Å; N248-F250 PolarHBondContact O-N 2.85Å; N248-F250 WeakPolarHBondContact OD1-CA 3.45Å; N248-F250 WeakPolarHBondContact OD1-CB 3.29Å; N248-F250 PolarHBondContact OD1-N 2.99Å; N248-D251 PolarHBondContact ND2-OD2 3.13Å; N248-D251 PolarHBondContact O-N 3.04Å; N248-D251 PolarHBondContact OD1-N 3.44Å; N248-W252 PolarHBondContact O-N 3.27Å
249I96.9Very high94.9Very high4 Ų450.8 Ų50.82%0.02128%0.283CS..Hα-helixtrans-62.5-35.5-175.9-171.5171.9000112.6A241 W252 L253 V266 Y277 V279A241-I249 PolarHBondContact O-N 3.43Å; I249-W252 PolarHBondContact O-N 3.1Å; I249-L253 HydrophobicContact CD1-CD1 4.36Å; I249-L253 HydrophobicContact CG1-CD1 3.86Å; I249-L253 HydrophobicContact CG1-CG 4.12Å; I249-L253 WeakPolarHBondContact O-CB 3.31Å; I249-L253 WeakPolarHBondContact O-CG 3.37Å; I249-L253 PolarHBondContact O-N 3.41Å; I249-V266 HydrophobicContact CD1-CG1 3.82Å; I249-Y277 HydrophobicContact CD1-CD1 4.02Å; I249-Y277 HydrophobicContact CD1-CD2 3.63Å; I249-Y277 HydrophobicContact CD1-CE2 4.25Å; I249-Y277 HydrophobicContact CD1-CG 3.51Å; I249-Y277 HydrophobicContact CG2-CD2 4.47Å; I249-Y277 HydrophobicContact CG2-CE2 4.29Å; I249-V279 HydrophobicContact CD1-CG2 3.86Å; I249-V279 HydrophobicContact CG1-CG2 4.24Å
250F96.9Very high95Very high143 Ų14353 Ų5363%0.62731%0.306SS*.Hα-helixtrans-67.5-42.4-178.7-66.3-74.9000111.6N248 L253 T254N248-F250 VanDerWaalsContact C-N 3.29Å; N248-F250 PolarHBondContact O-N 2.85Å; N248-F250 WeakPolarHBondContact OD1-CA 3.45Å; N248-F250 WeakPolarHBondContact OD1-CB 3.29Å; N248-F250 PolarHBondContact OD1-N 2.99Å; F250-L253 PolarHBondContact O-N 2.84Å; F250-T254 WeakPolarHBondContact O-CB 3.48Å; F250-T254 PolarHBondContact O-N 3.05Å; F250-T254 PolarHBondContact O-OG1 3.04Å
251D97.4Very high95.1Very high73 Ų7353.2 Ų53.239%0.3931%0.31SS..Hα-helixtrans-64-42.1177-67.4-13.5000111.2Y218 N248 Y255Y218-D251 HydrophobicContact CE2-CB 4.08Å; N248-D251 PolarHBondContact ND2-OD2 3.13Å; N248-D251 PolarHBondContact O-N 3.04Å; N248-D251 PolarHBondContact OD1-N 3.44Å; D251-Y255 VanDerWaalsContact O-CB 3.29Å; D251-Y255 WeakPolarHBondContact O-CB 3.36Å; D251-Y255 PolarHBondContact O-N 2.99Å
252W98.4Very high95.3Very high0 Ų052.2 Ų52.20%030%0.3CS..Hα-helixtrans-62.7-47.3175.7173.6-109.9000112.3I212 Y218 L221 H222 L225 L237 N248 I249 T254 Y255 V256 M281I212-W252 HydrophobicContact CB-CB 4.33Å; I212-W252 HydrophobicContact CB-CG 4.42Å; I212-W252 HydrophobicContact CD1-CB 3.97Å; I212-W252 HydrophobicContact CD1-CG 4.34Å; I212-W252 HydrophobicContact CG2-CB 4.15Å; I212-W252 HydrophobicContact CG2-CD2 3.63Å; I212-W252 HydrophobicContact CG2-CE3 3.95Å; I212-W252 HydrophobicContact CG2-CG 3.71Å; Y218-W252 AromaticContact CD1-CE3 3.94Å; Y218-W252 HydrophobicContact CD1-CE3 3.94Å; Y218-W252 HydrophobicContact CD1-CZ3 4.28Å; Y218-W252 HydrophobicContact CD2-CE3 4.06Å; Y218-W252 HydrophobicContact CE1-CE3 4.21Å; Y218-W252 HydrophobicContact CE2-CB 4.26Å; Y218-W252 HydrophobicContact CE2-CE3 4.33Å; Y218-W252 AromaticContact CG-CE3 3.86Å; Y218-W252 HydrophobicContact CG-CE3 3.86Å; Y218-W252 HydrophobicContact CG-CZ3 4.14Å; L221-W252 HydrophobicContact CB-CH2 4.36Å; L221-W252 HydrophobicContact CB-CZ3 4.45Å; L221-W252 HydrophobicContact CD2-CH2 3.75Å; L221-W252 HydrophobicContact CD2-CZ2 4.22Å; L221-W252 HydrophobicContact CD2-CZ3 3.95Å; L221-W252 HydrophobicContact CG-CH2 3.89Å; L221-W252 HydrophobicContact CG-CZ3 4.34Å; H222-W252 HydrophobicContact CB-CH2 4.25Å; L225-W252 HydrophobicContact CD1-CH2 4.19Å; L225-W252 HydrophobicContact CD1-CZ2 4.05Å; L237-W252 HydrophobicContact CD1-CZ2 4.22Å; N248-W252 PolarHBondContact O-N 3.27Å; I249-W252 PolarHBondContact O-N 3.1Å; W252-T254 PolarHBondContact O-N 3.41Å; W252-Y255 HydrophobicContact CE3-CD1 4.48Å; W252-Y255 HydrophobicContact CZ3-CD1 4.23Å; W252-Y255 WeakPolarHBondContact O-CB 3.26Å; W252-Y255 PolarHBondContact O-N 3.21Å; W252-V256 HydrophobicContact CD2-CG2 3.97Å; W252-V256 HydrophobicContact CE3-CG2 4.36Å; W252-V256 HydrophobicContact CH2-CG2 4.03Å; W252-V256 HydrophobicContact CZ2-CG2 3.59Å; W252-V256 HydrophobicContact CZ3-CG2 4.39Å; W252-V256 WeakPolarHBondContact O-CG2 3.3Å; W252-V256 PolarHBondContact O-N 2.69Å; W252-M281 HydrophobicContact CZ2-CE 3.97Å; W252-M281 HydrophobicContact CZ2-SD 3.86Å
253L98.6Very high95.4Very high33 Ų3354.4 Ų54.417%0.17330%0.303CS..Hα-helixtrans-62.9-43.3179.4-68.6172.5000111.6I249 F250 Y255 V256 E257 T264 V266 V279I249-L253 HydrophobicContact CD1-CD1 4.36Å; I249-L253 HydrophobicContact CG1-CD1 3.86Å; I249-L253 HydrophobicContact CG1-CG 4.12Å; I249-L253 WeakPolarHBondContact O-CB 3.31Å; I249-L253 WeakPolarHBondContact O-CG 3.37Å; I249-L253 PolarHBondContact O-N 3.41Å; F250-L253 PolarHBondContact O-N 2.84Å; L253-Y255 VanDerWaalsContact C-N 3.33Å; L253-Y255 PolarHBondContact O-N 3.03Å; L253-V256 PolarHBondContact O-N 2.67Å; L253-E257 WeakPolarHBondContact O-CB 3.38Å; L253-E257 PolarHBondContact O-N 3.28Å; L253-T264 HydrophobicContact CD2-CG2 3.97Å; L253-V266 HydrophobicContact CD1-CG2 3.73Å; L253-V266 HydrophobicContact CD2-CG2 3.88Å; L253-V266 HydrophobicContact CG-CG2 4.46Å; L253-V279 HydrophobicContact CD2-CG1 3.91Å
254T98.4Very high95.8Very high68 Ų6856.7 Ų56.742%0.41732%0.318SS..Hα-helixtrans-61.4-42.9175.9-55.60000111F250 W252 E257 N258F250-T254 WeakPolarHBondContact O-CB 3.48Å; F250-T254 PolarHBondContact O-N 3.05Å; F250-T254 PolarHBondContact O-OG1 3.04Å; W252-T254 PolarHBondContact O-N 3.41Å; T254-E257 PolarHBondContact O-N 3.28Å; T254-N258 WeakPolarHBondContact O-CB 3.39Å; T254-N258 PolarHBondContact O-N 3.05Å; T254-N258 PolarHBondContact O-ND2 3.04Å; T254-N258 VanDerWaalsContact O-ND2 3.15Å
255Y98.5Very high96.4Very high68 Ų6856.6 Ų56.627%0.26731%0.31SS..Hα-helixtrans-59.7-47.4176.4-177.4-87.8000111.8Y218 E219 H222 D251 W252 L253 L259Y218-Y255 HydrophobicContact CD2-CD2 4.17Å; Y218-Y255 AromaticContact CD2-CG 3.98Å; Y218-Y255 HydrophobicContact CD2-CG 3.98Å; E219-Y255 VanDerWaalsContact CA-OH 3.25Å; E219-Y255 WeakPolarHBondContact CA-OH 3.32Å; H222-Y255 HydrophobicContact CB-CE1 3.81Å; D251-Y255 VanDerWaalsContact O-CB 3.29Å; D251-Y255 WeakPolarHBondContact O-CB 3.36Å; D251-Y255 PolarHBondContact O-N 2.99Å; W252-Y255 HydrophobicContact CE3-CD1 4.48Å; W252-Y255 HydrophobicContact CZ3-CD1 4.23Å; W252-Y255 WeakPolarHBondContact O-CB 3.26Å; W252-Y255 PolarHBondContact O-N 3.21Å; L253-Y255 VanDerWaalsContact C-N 3.33Å; L253-Y255 PolarHBondContact O-N 3.03Å; Y255-L259 HydrophobicContact CD1-CD1 4.08Å; Y255-L259 HydrophobicContact CE1-CD1 3.42Å; Y255-L259 VanDerWaalsContact CE1-CD1 3.42Å; Y255-L259 HydrophobicContact CE1-CG 4.41Å; Y255-L259 PolarHBondContact O-N 3.33Å
256V98.6Very high97.4Very high0 Ų055.4 Ų55.40%030%0.301CS..Hα-helixtrans-65.1-45.2178.7171.90000111.8W252 L253 N258 L259 G260 F262 T264 M281W252-V256 HydrophobicContact CD2-CG2 3.97Å; W252-V256 HydrophobicContact CE3-CG2 4.36Å; W252-V256 HydrophobicContact CH2-CG2 4.03Å; W252-V256 HydrophobicContact CZ2-CG2 3.59Å; W252-V256 HydrophobicContact CZ3-CG2 4.39Å; W252-V256 WeakPolarHBondContact O-CG2 3.3Å; W252-V256 PolarHBondContact O-N 2.69Å; L253-V256 PolarHBondContact O-N 2.67Å; V256-N258 VanDerWaalsContact C-N 3.34Å; V256-N258 PolarHBondContact O-N 2.76Å; V256-L259 PolarHBondContact O-N 3.45Å; V256-G260 PolarHBondContact O-N 2.86Å; V256-F262 HydrophobicContact CG1-CB 3.82Å; V256-T264 HydrophobicContact CB-CG2 4.31Å; V256-T264 HydrophobicContact CG1-CG2 3.63Å; V256-M281 HydrophobicContact CB-CE 4.49Å; V256-M281 HydrophobicContact CG1-CE 3.81Å; V256-M281 HydrophobicContact CG2-CE 3.78Å
257E98Very high97.8Very high146 Ų14658.3 Ų58.368%0.68231%0.31SS*.Hα-helixtrans-59.8-44.6179.5-178.3174.2-162.300111.5L253 T254 L259 G260L253-E257 WeakPolarHBondContact O-CB 3.38Å; L253-E257 PolarHBondContact O-N 3.28Å; T254-E257 PolarHBondContact O-N 3.28Å; E257-L259 VanDerWaalsContact C-N 3.26Å; E257-L259 PolarHBondContact O-N 3.42Å; E257-G260 PolarHBondContact O-N 3.17Å
258N98.4Very high97.9Very high127 Ų12764 Ų6468%0.67933%0.334SS*.Hα-helixtrans-62.5-30.4179.1-74.5-25.5000113.5T254 V256T254-N258 WeakPolarHBondContact O-CB 3.39Å; T254-N258 PolarHBondContact O-N 3.05Å; T254-N258 PolarHBondContact O-ND2 3.04Å; T254-N258 VanDerWaalsContact O-ND2 3.15Å; V256-N258 VanDerWaalsContact C-N 3.34Å; V256-N258 PolarHBondContact O-N 2.76Å
259L98.2Very high97.8Very high80 Ų8065.4 Ų65.442%0.41934%0.342SS..Hα-helixtrans-78.7-25175.8-68.2179.2000112.5H222 Y255 V256 E257 V261H222-L259 HydrophobicContact CB-CD1 4.45Å; Y255-L259 HydrophobicContact CD1-CD1 4.08Å; Y255-L259 HydrophobicContact CE1-CD1 3.42Å; Y255-L259 VanDerWaalsContact CE1-CD1 3.42Å; Y255-L259 HydrophobicContact CE1-CG 4.41Å; Y255-L259 PolarHBondContact O-N 3.33Å; V256-L259 PolarHBondContact O-N 3.45Å; E257-L259 VanDerWaalsContact C-N 3.26Å; E257-L259 PolarHBondContact O-N 3.42Å; L259-V261 HydrophobicContact CB-CG2 4.4Å; L259-V261 PolarHBondContact O-N 3.18Å; L259-V261 VanDerWaalsContact O-N 3.1Å
260G98.1Very high97.4Very high47 Ų4766.5 Ų66.549%0.48535%0.348SS..THydrogen-bonded Turntrans66.58.7177.300000115.3V256 E257 A284V256-G260 PolarHBondContact O-N 2.86Å; E257-G260 PolarHBondContact O-N 3.17Å; G260-A284 WeakPolarHBondContact O-CB 3.2Å
261V98.4Very high96.6Very high35 Ų3565.7 Ų65.721%0.21236%0.355CS..SBendtrans-79-33.5-179.11760000111.9E226 L259 A284E226-V261 HydrophobicContact CB-CG1 4.36Å; E226-V261 HydrophobicContact CG-CG1 3.91Å; L259-V261 HydrophobicContact CB-CG2 4.4Å; L259-V261 PolarHBondContact O-N 3.18Å; L259-V261 VanDerWaalsContact O-N 3.1Å; V261-A284 PolarHBondContact O-N 3.23Å
262F98.7Very high95.8Very high7 Ų766.7 Ų66.73%0.03137%0.368CS..EExtended strand (participates in β ladder)trans-125.9140.4-178-61.2-74.9000112.2H222 L225 E226 L229 V256 M281 I282 R283H222-F262 AromaticContact CE1-CE2 3.98Å; H222-F262 AromaticContact NE2-CD2 3.44Å; H222-F262 WeakPolarHBondContact NE2-CD2 3.45Å; H222-F262 AromaticContact NE2-CE2 3.61Å; L225-F262 HydrophobicContact CB-CE2 4.24Å; L225-F262 HydrophobicContact CB-CZ 4.12Å; E226-F262 HydrophobicContact CB-CE2 4.23Å; E226-F262 HydrophobicContact CB-CZ 4.17Å; L229-F262 HydrophobicContact CD2-CE1 3.7Å; V256-F262 HydrophobicContact CG1-CB 3.82Å; F262-M281 HydrophobicContact CB-CB 4.19Å; F262-M281 HydrophobicContact CB-CE 3.75Å; F262-M281 HydrophobicContact CD1-CB 4.42Å; F262-M281 HydrophobicContact CD1-CE 4.46Å; F262-M281 HydrophobicContact CD2-CE 3.53Å; F262-M281 HydrophobicContact CE2-CE 4.21Å; F262-M281 HydrophobicContact CG-CB 4.4Å; F262-M281 HydrophobicContact CG-CE 3.67Å; F262-I282 CarbonylContact C-O 3.53Å; F262-I282 WeakPolarHBondContact CA-O 3.21Å; F262-R283 HydrophobicContact CD1-CG 4.38Å; F262-R283 HydrophobicContact CE1-CG 4.12Å
263Q98.3Very high95.4Very high106 Ų10670.1 Ų70.150%0.49540%0.403SS..EExtended strand (participates in β ladder)trans-89136.9162.2-66.8172.616.600109.4M281 I282 A284Q263-M281 WeakPolarHBondContact O-CA 3.4Å; Q263-I282 HydrophobicContact CB-CG1 4.14Å; Q263-I282 PolarHBondContact N-O 3.36Å; Q263-I282 PolarHBondContact O-N 3.41Å; Q263-A284 HydrophobicContact CG-CB 3.94Å; Q263-A284 PolarHBondContact NE2-OXT 2.99Å
264T98.5Very high95Very high52 Ų5272.4 Ų72.432%0.31942%0.419SS..EExtended strand (participates in β ladder)trans-112141-17764.30000112.4L253 V256 V279 K280 M281L253-T264 HydrophobicContact CD2-CG2 3.97Å; V256-T264 HydrophobicContact CB-CG2 4.31Å; V256-T264 HydrophobicContact CG1-CG2 3.63Å; T264-V279 HydrophobicContact CG2-CG1 4.4Å; T264-K280 CarbonylContact C-O 3.49Å; T264-K280 WeakPolarHBondContact CA-O 3.39Å; T264-M281 HydrophobicContact CG2-CG 4.11Å
265T98.4Very high94.9Very high69 Ų6971.1 Ų71.142%0.42341%0.409SS..EExtended strand (participates in β ladder)trans-126.8127.6167.2-520000109.1F267 K280T265-F267 HydrophobicContact CG2-CE1 4.23Å; T265-F267 HydrophobicContact CG2-CE2 3.7Å; T265-F267 HydrophobicContact CG2-CZ 3.52Å; T265-K280 PolarHBondContact N-O 2.82Å; T265-K280 PolarHBondContact O-N 3.13Å
266V98.3Very high94.8Very high58 Ų5869.7 Ų69.735%0.35240%0.403SS..EExtended strand (participates in β ladder)trans-107.9129.2-172.4-177.30000110.7I249 L253 Y277 V279I249-V266 HydrophobicContact CD1-CG1 3.82Å; L253-V266 HydrophobicContact CD1-CG2 3.73Å; L253-V266 HydrophobicContact CD2-CG2 3.88Å; L253-V266 HydrophobicContact CG-CG2 4.46Å; V266-Y277 HydrophobicContact CG1-CD1 3.52Å; V266-Y277 HydrophobicContact CG1-CE1 4.15Å; V266-Y277 HydrophobicContact CG1-CG 4.2Å; V266-V279 HydrophobicContact CG2-CG2 4.41Å
267F97.6Very high94.7Very high77 Ų7771.7 Ų71.734%0.33841%0.411SS..EExtended strand (participates in β ladder)trans-118.1116.6177.2-56.4-87.1000109.6Y108 T265 Y277 I278 K280Y108-F267 HydrophobicContact CE2-CB 4.45Å; Y108-F267 HydrophobicContact CE2-CG 4.36Å; Y108-F267 WeakPolarHBondContact OH-CD2 3.34Å; Y108-F267 WeakPolarHBondContact OH-CE2 3.45Å; T265-F267 HydrophobicContact CG2-CE1 4.23Å; T265-F267 HydrophobicContact CG2-CE2 3.7Å; T265-F267 HydrophobicContact CG2-CZ 3.52Å; F267-Y277 CarbonylContact O-C 3.54Å; F267-Y277 VanDerWaalsContact O-CA 3.24Å; F267-Y277 WeakPolarHBondContact O-CA 3.49Å; F267-I278 HydrophobicContact CB-CB 4.37Å; F267-I278 PolarHBondContact N-O 3.23Å; F267-I278 PolarHBondContact O-N 3.41Å; F267-K280 HydrophobicContact CE2-CB 3.9Å
268K96.3Very high94.8Very high118 Ų11864.7 Ų64.751%0.51338%0.378SS..EExtended strand (participates in β ladder)trans-77.1128.1175.4-172.8172.3179.1174.30110.1T270 Y277K268-T270 WeakPolarHBondContact CE-O 3.27Å; K268-T270 WeakPolarHBondContact CG-O 3.36Å; K268-Y277 HydrophobicContact CB-CD1 3.88Å; K268-Y277 HydrophobicContact CB-CE1 3.69Å; K268-Y277 HydrophobicContact CD-CE1 4.16Å; K268-Y277 HydrophobicContact CG-CD1 4.22Å; K268-Y277 HydrophobicContact CG-CE1 3.78Å
269L92.9Very high94.8Very high63 Ų6358.7 Ų58.733%0.3335%0.346SS..  trans-96.3-44.1-177.9-64.2-175.9000113.1D104 Y108 R276 I278D104-L269 HydrophobicContact CB-CD1 3.53Å; Y108-L269 HydrophobicContact CD2-CD2 4.41Å; L269-R276 PolarHBondContact N-O 3.3Å; L269-I278 HydrophobicContact CD1-CD1 3.93Å; L269-I278 HydrophobicContact CD1-CG1 3.8Å; L269-I278 HydrophobicContact CD2-CG1 3.9Å; L269-I278 HydrophobicContact CG-CG1 4.02Å
270T88.3Confident94.8Very high26 Ų2657.6 Ų57.616%0.1634%0.338CS..  trans-113.2144.8-176.556.80000111.2K268 V274 I275 R276K268-T270 WeakPolarHBondContact CE-O 3.27Å; K268-T270 WeakPolarHBondContact CG-O 3.36Å; T270-V274 PolarHBondContact OG1-O 2.81Å; T270-I275 VanDerWaalsContact OG1-CA 3.31Å; T270-I275 WeakPolarHBondContact OG1-CA 3.43Å; T270-R276 PolarHBondContact OG1-N 3.05Å
271T79.8Confident94.8Very high126 Ų12655.3 Ų55.377%0.77332%0.315SS*.SBendtrans-107.9-13.8177.853.70000113.4
272S80.9Confident94.8Very high95 Ų9556.5 Ų56.566%0.66432%0.319SS*.SBendtrans-138161.1178.961.10000111
273G89.5Confident94.8Very high72 Ų7258.4 Ų58.474%0.74233%0.326SS*.SBendtrans68.4-144.2-175.300000112.3I275G273-I275 PolarHBondContact O-N 3.03Å; G273-I275 VanDerWaalsContact O-N 3.16Å
274V90.9Very high94.6Very high81 Ų8157.7 Ų57.749%0.49134%0.338SS..SBendtrans-66.4115174.9-179.10000108.7K240 T270 R276K240-V274 HydrophobicContact CB-CG1 4.38Å; K240-V274 HydrophobicContact CD-CG1 3.99Å; K240-V274 HydrophobicContact CG-CG1 3.79Å; T270-V274 PolarHBondContact OG1-O 2.81Å; V274-R276 HydrophobicContact CG1-CG 4.26Å; V274-R276 PolarHBondContact O-N 2.57Å
275I95.7Very high94.4Very high41 Ų4158 Ų5821%0.2134%0.339CS..  trans-72.9128.3179.1-54.8-56.8000109.4K240 A241 T270 G273 Y277K240-I275 CarbonylContact C-O 3.5Å; K240-I275 WeakPolarHBondContact CA-O 3.21Å; A241-I275 HydrophobicContact CB-CB 3.95Å; A241-I275 HydrophobicContact CB-CG2 4.24Å; A241-I275 PolarHBondContact N-O 3.43Å; T270-I275 VanDerWaalsContact OG1-CA 3.31Å; T270-I275 WeakPolarHBondContact OG1-CA 3.43Å; G273-I275 PolarHBondContact O-N 3.03Å; G273-I275 VanDerWaalsContact O-N 3.16Å; I275-Y277 HydrophobicContact CG2-CD2 4.33Å; I275-Y277 HydrophobicContact CG2-CE2 3.49Å; I275-Y277 VanDerWaalsContact CG2-CE2 3.49Å
276R96.5Very high94.2Very high38 Ų3857.4 Ų57.414%0.14333%0.334CS..EExtended strand (participates in β ladder)trans-131153-178.7-62.9-174.4-59.6-104.57.2111.9D100 D104 C239 K240 L269 T270 V274D100-R276 IonicContact OD2-CZ 3.73Å; D100-R276 IonicContact OD2-NH1 3.51Å; D100-R276 PolarHBondContact OD2-NH1 3.48Å; D104-R276 IonicContact OD1-NH2 3.56Å; D104-R276 WeakPolarHBondContact OD2-CD 3.47Å; D104-R276 IonicContact OD2-CZ 2.74Å; D104-R276 IonicContact OD2-NE 3.59Å; D104-R276 PolarHBondContact OD2-NE 3.21Å; D104-R276 IonicContact OD2-NH2 3.78Å; C239-R276 CarbonylContact O-C 3.58Å; C239-R276 VanDerWaalsContact O-CA 3.24Å; C239-R276 WeakPolarHBondContact O-CA 3.43Å; K240-R276 HydrophobicContact CG-CG 4.24Å; L269-R276 PolarHBondContact N-O 3.3Å; T270-R276 PolarHBondContact OG1-N 3.05Å; V274-R276 HydrophobicContact CG1-CG 4.26Å; V274-R276 PolarHBondContact O-N 2.57Å
277Y98Very high94Very high41 Ų4157.3 Ų57.316%0.16133%0.333CS..EExtended strand (participates in β ladder)trans-137.4153.7-173.2-62.6-90.6000111.5A238 C239 A241 I249 V266 F267 K268 I275A238-Y277 WeakPolarHBondContact CA-O 3.36Å; C239-Y277 PolarHBondContact N-O 3.14Å; C239-Y277 PolarHBondContact O-N 3.07Å; A241-Y277 HydrophobicContact CB-CD2 4.44Å; A241-Y277 HydrophobicContact CB-CE2 3.79Å; I249-Y277 HydrophobicContact CD1-CD1 4.02Å; I249-Y277 HydrophobicContact CD1-CD2 3.63Å; I249-Y277 HydrophobicContact CD1-CE2 4.25Å; I249-Y277 HydrophobicContact CD1-CG 3.51Å; I249-Y277 HydrophobicContact CG2-CD2 4.47Å; I249-Y277 HydrophobicContact CG2-CE2 4.29Å; V266-Y277 HydrophobicContact CG1-CD1 3.52Å; V266-Y277 HydrophobicContact CG1-CE1 4.15Å; V266-Y277 HydrophobicContact CG1-CG 4.2Å; F267-Y277 CarbonylContact O-C 3.54Å; F267-Y277 VanDerWaalsContact O-CA 3.24Å; F267-Y277 WeakPolarHBondContact O-CA 3.49Å; K268-Y277 HydrophobicContact CB-CD1 3.88Å; K268-Y277 HydrophobicContact CB-CE1 3.69Å; K268-Y277 HydrophobicContact CD-CE1 4.16Å; K268-Y277 HydrophobicContact CG-CD1 4.22Å; K268-Y277 HydrophobicContact CG-CE1 3.78Å; I275-Y277 HydrophobicContact CG2-CD2 4.33Å; I275-Y277 HydrophobicContact CG2-CE2 3.49Å; I275-Y277 VanDerWaalsContact CG2-CE2 3.49Å
278I98.4Very high93.8Very high0 Ų056.2 Ų56.20%033%0.333CS..EExtended strand (participates in β ladder)trans-104.3125155.7-58-61.4000107.8L105 Y108 L236 L237 A238 F267 L269L105-I278 HydrophobicContact CD1-CD1 4.07Å; Y108-I278 HydrophobicContact CD1-CG1 4.29Å; Y108-I278 HydrophobicContact CD1-CG2 4.03Å; Y108-I278 HydrophobicContact CD2-CB 4.49Å; Y108-I278 HydrophobicContact CD2-CG1 3.92Å; Y108-I278 HydrophobicContact CE1-CG2 3.87Å; Y108-I278 HydrophobicContact CE2-CG1 4.41Å; Y108-I278 HydrophobicContact CG-CG1 3.87Å; Y108-I278 HydrophobicContact CG-CG2 4.43Å; L236-I278 HydrophobicContact CD2-CG2 4.34Å; L237-I278 CarbonylContact O-C 3.56Å; L237-I278 WeakPolarHBondContact O-CA 3.35Å; A238-I278 HydrophobicContact CB-CD1 3.6Å; F267-I278 HydrophobicContact CB-CB 4.37Å; F267-I278 PolarHBondContact N-O 3.23Å; F267-I278 PolarHBondContact O-N 3.41Å; L269-I278 HydrophobicContact CD1-CD1 3.93Å; L269-I278 HydrophobicContact CD1-CG1 3.8Å; L269-I278 HydrophobicContact CD2-CG1 3.9Å; L269-I278 HydrophobicContact CG-CG1 4.02Å
279V98.6Very high93.6Very high0 Ų052.3 Ų52.30%032%0.322CS..EExtended strand (participates in β ladder)trans-100.4114.8168-1750000107.6L237 I249 L253 T264 V266 M281L237-V279 HydrophobicContact CB-CB 4.34Å; L237-V279 HydrophobicContact CD2-CG2 4.47Å; L237-V279 PolarHBondContact N-O 3.02Å; L237-V279 PolarHBondContact O-N 3.32Å; I249-V279 HydrophobicContact CD1-CG2 3.86Å; I249-V279 HydrophobicContact CG1-CG2 4.24Å; L253-V279 HydrophobicContact CD2-CG1 3.91Å; T264-V279 HydrophobicContact CG2-CG1 4.4Å; V266-V279 HydrophobicContact CG2-CG2 4.41Å; V279-M281 HydrophobicContact CG1-CG 3.9Å; V279-M281 HydrophobicContact CG1-SD 4.49Å
280K98.7Very high93.7Very high57 Ų5751.6 Ų51.625%0.24832%0.321CS..EExtended strand (participates in β ladder)trans-88.6128.9169.1-179.4-171172.3-166.30108.4I234 V235 L236 T264 T265 F267I234-K280 HydrophobicContact CG2-CD 4.35Å; I234-K280 HydrophobicContact CG2-CG 3.76Å; V235-K280 CarbonylContact O-C 3.59Å; V235-K280 WeakPolarHBondContact O-CA 3.07Å; L236-K280 HydrophobicContact CD2-CB 4.02Å; L236-K280 HydrophobicContact CD2-CG 3.97Å; T264-K280 CarbonylContact C-O 3.49Å; T264-K280 WeakPolarHBondContact CA-O 3.39Å; T265-K280 PolarHBondContact N-O 2.82Å; T265-K280 PolarHBondContact O-N 3.13Å; F267-K280 HydrophobicContact CE2-CB 3.9Å
281M98.8Very high94Very high0 Ų053.4 Ų53.40%033%0.333CS..EExtended strand (participates in β ladder)trans-123.2136.6175.5-44.1169.545.300110.1L225 V235 W252 V256 F262 Q263 T264 V279L225-M281 HydrophobicContact CD1-CE 4.38Å; L225-M281 HydrophobicContact CD1-SD 4.47Å; V235-M281 HydrophobicContact CB-CB 4Å; V235-M281 HydrophobicContact CB-CG 4.44Å; V235-M281 HydrophobicContact CG1-SD 4.47Å; V235-M281 HydrophobicContact CG2-CB 4.39Å; V235-M281 PolarHBondContact N-O 3.16Å; V235-M281 PolarHBondContact O-N 3.34Å; W252-M281 HydrophobicContact CZ2-CE 3.97Å; W252-M281 HydrophobicContact CZ2-SD 3.86Å; V256-M281 HydrophobicContact CB-CE 4.49Å; V256-M281 HydrophobicContact CG1-CE 3.81Å; V256-M281 HydrophobicContact CG2-CE 3.78Å; F262-M281 HydrophobicContact CB-CB 4.19Å; F262-M281 HydrophobicContact CB-CE 3.75Å; F262-M281 HydrophobicContact CD1-CB 4.42Å; F262-M281 HydrophobicContact CD1-CE 4.46Å; F262-M281 HydrophobicContact CD2-CE 3.53Å; F262-M281 HydrophobicContact CE2-CE 4.21Å; F262-M281 HydrophobicContact CG-CB 4.4Å; F262-M281 HydrophobicContact CG-CE 3.67Å; Q263-M281 WeakPolarHBondContact O-CA 3.4Å; T264-M281 HydrophobicContact CG2-CG 4.11Å; V279-M281 HydrophobicContact CG1-CG 3.9Å; V279-M281 HydrophobicContact CG1-SD 4.49Å
282I98.6Very high95.1Very high59 Ų5947.8 Ų47.830%0.30330%0.299SS..EExtended strand (participates in β ladder)trans-131.3154.9173.661.1173.6000108.5I234 F262 Q263 A284I234-I282 HydrophobicContact CG1-CG2 4.01Å; F262-I282 CarbonylContact C-O 3.53Å; F262-I282 WeakPolarHBondContact CA-O 3.21Å; Q263-I282 HydrophobicContact CB-CG1 4.14Å; Q263-I282 PolarHBondContact N-O 3.36Å; Q263-I282 PolarHBondContact O-N 3.41Å; I282-A284 PolarHBondContact O-N 2.89Å
283R98.2Very high96.3Very high48 Ų4843.9 Ų43.918%0.18127%0.269CS..EExtended strand (participates in β ladder)trans-59.3138.9174.8-67.8-173-179.2-82.71.8110.3E226 L229 C230 F262E226-R283 PolarHBondContact O-NH2 3.17Å; L229-R283 HydrophobicContact CD2-CG 4.36Å; L229-R283 PolarHBondContact O-NH2 3.24Å; C230-R283 PolarHBondContact O-NE 2.7Å; F262-R283 HydrophobicContact CD1-CG 4.38Å; F262-R283 HydrophobicContact CE1-CG 4.12Å
284A93.9Very high96.9Very high90 Ų9041.4 Ų41.474%0.74423%0.226SC*.  trans-67.90176.900000112.8G260 V261 Q263 I282G260-A284 WeakPolarHBondContact O-CB 3.2Å; V261-A284 PolarHBondContact O-N 3.23Å; Q263-A284 HydrophobicContact CG-CB 3.94Å; Q263-A284 PolarHBondContact NE2-OXT 2.99Å; I282-A284 PolarHBondContact O-N 2.89Å

Retrieved 284 of 284 residues in 101.3 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).