A0A087X854_POEFO Loading...

Guanylyl cyclase domain containing 1

AlphaFold DB , UniProt , Accession A0A087X854, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 227 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.3Very low83.5Confident230 Ų23090.2 Ų90.2100%1.13349%0.491SS*.  0124.30-64-177-54.700105.2E3M1-E3 PolarHBondContact O-N 3.03Å
2T47.5Very low84.4Confident122 Ų12285.3 Ų85.375%0.74847%0.466SS*.  trans-55.1110.6-167.543.50000111.3D4T2-D4 PolarHBondContact O-N 3.42Å
3E64.8Low85.2Confident169 Ų16980.4 Ų80.479%0.7944%0.439SS*.THydrogen-bonded Turntrans-65.312.9-177.6-69175.1161.700114M1 R183M1-E3 PolarHBondContact O-N 3.03Å; E3-R183 PolarHBondContact O-NH1 3.48Å
4D87.2Confident85.8Confident71 Ų7185.3 Ų85.338%0.3845%0.447SS..THydrogen-bonded Turntrans-95.9-12.8-171.1-72.1-39.3000114T2 N182 R183T2-D4 PolarHBondContact O-N 3.42Å; D4-N182 CarbonylContact O-C 3.53Å; D4-N182 WeakPolarHBondContact O-CA 3.41Å; D4-R183 HydrophobicContact CB-CB 4.43Å; D4-R183 PolarHBondContact O-N 3.44Å
5A94.6Very high86.2Confident51 Ų5181.4 Ų81.442%0.42143%0.426SS..EExtended strand (participates in β ladder)trans-135.5133.8-178.800000112.5F181 N182A5-F181 WeakPolarHBondContact CA-O 3.01Å; A5-N182 HydrophobicContact CB-CB 4.19Å
6V97.3Very high86.5Confident26 Ų2684.3 Ų84.316%0.15844%0.441CS..EExtended strand (participates in β ladder)trans-125.5131.2173.9173.60000107.9L8 L128 E129 G180 F181V6-L8 HydrophobicContact CG1-CD2 3.97Å; V6-L8 HydrophobicContact CG1-CG 4.07Å; V6-L128 HydrophobicContact CG1-CB 4.42Å; V6-E129 HydrophobicContact CG2-CG 4.07Å; V6-G180 CarbonylContact O-C 3.36Å; V6-G180 WeakPolarHBondContact O-CA 3.46Å; V6-F181 HydrophobicContact CB-CD1 4.02Å; V6-F181 HydrophobicContact CB-CE1 3.69Å; V6-F181 HydrophobicContact CB-CZ 4.08Å; V6-F181 HydrophobicContact CG1-CE1 4.5Å; V6-F181 HydrophobicContact CG2-CD1 4.43Å; V6-F181 HydrophobicContact CG2-CE1 3.62Å; V6-F181 HydrophobicContact CG2-CE2 4.41Å; V6-F181 HydrophobicContact CG2-CZ 3.61Å; V6-F181 PolarHBondContact N-O 3.21Å; V6-F181 PolarHBondContact O-N 3.22Å; V6-F181 VanDerWaalsContact O-O 3.08Å
7L97.2Very high86.6Confident101 Ų10187.5 Ų87.553%0.52945%0.447SS..EExtended strand (participates in β ladder)trans-140.4109.9168.517859.9000109F189 V199L7-F189 HydrophobicContact CB-CD2 4.43Å; L7-F189 HydrophobicContact CD1-CB 3.82Å; L7-F189 HydrophobicContact CD1-CD2 4.15Å; L7-F189 HydrophobicContact CD1-CG 4.05Å; L7-V199 HydrophobicContact CD1-CG1 4.03Å
8L97.6Very high86.4Confident24 Ų2489.3 Ų89.313%0.12645%0.453CS..  trans-85.8136.1-179.8-54.9176.5000109.7V6 V10 Y32 L128 H132 V133 C179V6-L8 HydrophobicContact CG1-CD2 3.97Å; V6-L8 HydrophobicContact CG1-CG 4.07Å; L8-V10 HydrophobicContact CB-CG2 4.21Å; L8-V10 PolarHBondContact O-N 3.28Å; L8-Y32 HydrophobicContact CB-CE2 4.5Å; L8-Y32 HydrophobicContact CD1-CE1 4.43Å; L8-L128 HydrophobicContact CD1-CD2 4.27Å; L8-H132 WeakPolarHBondContact CD1-O 3.36Å; L8-V133 HydrophobicContact CD1-CG1 3.72Å; L8-C179 VanDerWaalsContact CB-O 3.31Å; L8-C179 WeakPolarHBondContact CB-O 3.48Å; L8-C179 WeakPolarHBondContact CG-O 3.48Å; L8-C179 PolarHBondContact N-O 2.91Å
9N96.2Very high86.4Confident147 Ų14787.6 Ų87.679%0.78644%0.441SS*.  trans-78.563.2-177.9-169.330.8000111.9
10V97.1Very high86.8Confident6 Ų684 Ų844%0.03642%0.423CS..PPolyproline II helixtrans-79125.3174.9-174.80000108.5L8 M28 Y32 V133 V177 C179 N191L8-V10 HydrophobicContact CB-CG2 4.21Å; L8-V10 PolarHBondContact O-N 3.28Å; V10-M28 HydrophobicContact CG1-CB 4.08Å; V10-Y32 HydrophobicContact CB-CG 4.5Å; V10-Y32 HydrophobicContact CG2-CD1 4Å; V10-Y32 HydrophobicContact CG2-CD2 4.21Å; V10-Y32 HydrophobicContact CG2-CE1 4.46Å; V10-Y32 HydrophobicContact CG2-CG 3.89Å; V10-V133 HydrophobicContact CG2-CG1 3.58Å; V10-V177 HydrophobicContact CG1-CG1 4.26Å; V10-C179 HydrophobicContact CB-CB 4.22Å; V10-C179 HydrophobicContact CG2-CB 3.67Å; V10-N191 PolarHBondContact O-ND2 3.32Å
11P95.2Very high87.2Confident45 Ų4580.5 Ų80.529%0.29241%0.406SS..PPolyproline II helixtrans-64.7142.2179.426.7-32000110.7M28 K31 N191P11-M28 WeakPolarHBondContact O-CB 3.13Å; P11-M28 WeakPolarHBondContact O-CG 3.31Å; P11-K31 HydrophobicContact CG-CB 3.5Å; P11-K31 VanDerWaalsContact CG-CB 3.5Å; P11-K31 HydrophobicContact CG-CD 4.14Å; P11-K31 HydrophobicContact CG-CG 4.45Å; P11-N191 PolarHBondContact O-ND2 3.21Å
12V94.2Very high89.7Confident32 Ų3269.6 Ų69.619%0.19435%0.352CS..PPolyproline II helixtrans-86.3130.5176.2-176.60000108.9N191 R198V12-N191 HydrophobicContact CG2-CB 4.39Å; V12-R198 WeakPolarHBondContact CG2-O 3.38Å
13I94.5Very high92.2Very high21 Ų2164.8 Ų64.811%0.10832%0.322CS..  trans-128.9122.5173.2-60.1176.4000107.3R27 M28 K31I13-R27 HydrophobicContact CD1-CB 3.57Å; I13-M28 HydrophobicContact CB-CG 3.66Å; I13-M28 HydrophobicContact CD1-CG 4.23Å; I13-M28 HydrophobicContact CG1-CG 3.85Å; I13-M28 PolarHBondContact N-SD 3.47Å; I13-K31 HydrophobicContact CD1-CD 4.03Å
14R93Very high93.7Very high149 Ų14956.9 Ų56.956%0.56229%0.286SS*.  trans-74.8136.7176.6-167-173.3173.1179.4-3.7110.3P193R14-P193 CarbonylContact C-O 3.46Å; R14-P193 VanDerWaalsContact CA-O 3.3Å; R14-P193 WeakPolarHBondContact CA-O 3.43Å; R14-P193 WeakPolarHBondContact CG-O 3.36Å
15Q92.9Very high94.3Very high27 Ų2753.5 Ų53.513%0.12627%0.268CS..  trans-64.5147.4168.872.8-17281.800110.9Y17 D20 A24 H174 P193Q15-Y17 PolarHBondContact NE2-O 2.9Å; Q15-D20 WeakPolarHBondContact CB-OD1 2.97Å; Q15-A24 HydrophobicContact CB-CB 3.96Å; Q15-H174 PolarHBondContact OE1-CE1 2.96Å; Q15-H174 VanDerWaalsContact OE1-CE1 3.31Å; Q15-P193 HydrophobicContact CB-CB 4.14Å; Q15-P193 PolarHBondContact N-O 3.39Å
16L89.8Confident94.4Very high128 Ų12851.1 Ų51.167%0.6725%0.248SC*.SBendtrans-97.5-28.4-177.4-61.8-178.3000112.4D20L16-D20 PolarHBondContact N-OD1 3.26Å; L16-D20 PolarHBondContact N-OD2 2.67Å
17Y89Confident94.5Very high138 Ų13852.8 Ų52.854%0.54125%0.251SS..SBendtrans-122179.1-177.2-57.2-76.2000110.3Q15 W19 D20Q15-Y17 PolarHBondContact NE2-O 2.9Å; Y17-W19 VanDerWaalsContact C-N 3.28Å; Y17-W19 HydrophobicContact CD2-CZ2 4.15Å; Y17-W19 AromaticContact CG-NE1 3.9Å; Y17-D20 VanDerWaalsContact CA-OD1 3.25Å; Y17-D20 WeakPolarHBondContact CA-OD1 3.39Å; Y17-D20 WeakPolarHBondContact CB-OD1 3.31Å; Y17-D20 PolarHBondContact N-OD1 2.67Å
18H82.5Confident94.5Very high120 Ų12048 Ų4856%0.55623%0.226SC*.SBendtrans-78.9-16.4177.957.1-84.7000113.3F157H18-F157 HydrophobicContact CB-CD1 3.88Å; H18-F157 HydrophobicContact CB-CE1 3.17Å; H18-F157 HydrophobicContact CB-CZ 3.6Å
19W87.2Confident94.6Very high57 Ų5746.8 Ų46.822%0.21622%0.22CC..SBendtrans-110.5-14.4-169.960-104.7000113.8Y17 C21 L23 E52 V54Y17-W19 VanDerWaalsContact C-N 3.28Å; Y17-W19 HydrophobicContact CD2-CZ2 4.15Å; Y17-W19 AromaticContact CG-NE1 3.9Å; W19-C21 PolarHBondContact O-N 2.89Å; W19-L23 HydrophobicContact CH2-CD1 4.17Å; W19-L23 HydrophobicContact CZ3-CD1 3.65Å; W19-E52 VanDerWaalsContact CB-O 3.26Å; W19-E52 WeakPolarHBondContact CB-O 3.37Å; W19-E52 HydrophobicContact CD2-CB 3.81Å; W19-E52 HydrophobicContact CD2-CG 4.11Å; W19-E52 HydrophobicContact CE3-CB 4.21Å; W19-E52 HydrophobicContact CG-CB 3.95Å; W19-E52 HydrophobicContact CH2-CG 4.41Å; W19-E52 HydrophobicContact CZ2-CB 4.48Å; W19-E52 HydrophobicContact CZ2-CG 3.88Å; W19-V54 HydrophobicContact CE3-CG2 4.09Å; W19-V54 HydrophobicContact CZ3-CG2 4.12Å
20D93.1Very high94.6Very high15 Ų1539.9 Ų39.98%0.0818%0.183CC..  trans-94.415.9-169.970-38.3000113.7Q15 L16 Y17 G22 L23 A24Q15-D20 WeakPolarHBondContact CB-OD1 2.97Å; L16-D20 PolarHBondContact N-OD1 3.26Å; L16-D20 PolarHBondContact N-OD2 2.67Å; Y17-D20 VanDerWaalsContact CA-OD1 3.25Å; Y17-D20 WeakPolarHBondContact CA-OD1 3.39Å; Y17-D20 WeakPolarHBondContact CB-OD1 3.31Å; Y17-D20 PolarHBondContact N-OD1 2.67Å; D20-G22 PolarHBondContact O-N 2.94Å; D20-L23 HydrophobicContact CB-CB 4.4Å; D20-L23 HydrophobicContact CB-CD1 4.4Å; D20-L23 PolarHBondContact O-N 2.82Å; D20-A24 PolarHBondContact O-N 3.26Å
21C96Very high94.6Very high12 Ų1245.1 Ų45.18%0.08121%0.205CC..Hα-helixtrans-57.4-37.5179.960.90000112.5W19 A24 C25 P193W19-C21 PolarHBondContact O-N 2.89Å; C21-A24 PolarHBondContact O-N 2.89Å; C21-C25 WeakPolarHBondContact O-CB 3.43Å; C21-C25 PolarHBondContact O-N 2.82Å; C21-C25 PolarHBondContact O-SG 3.36Å; C21-P193 HydrophobicContact CB-CG 3.83Å
22G97.8Very high94.7Very high0 Ų044.8 Ų44.80%020%0.199CC..Hα-helixtrans-65.8-37.2174.400000113.6D20 C25 S26D20-G22 PolarHBondContact O-N 2.94Å; G22-C25 PolarHBondContact O-N 2.99Å; G22-S26 WeakPolarHBondContact O-CB 3.33Å; G22-S26 PolarHBondContact O-N 3.1Å; G22-S26 PolarHBondContact O-OG 2.88Å
23L98.2Very high94.9Very high21 Ų2144.1 Ų44.111%0.1120%0.195CC..Hα-helixtrans-72.1-40.1176.5-58.9-177000111.2W19 D20 S26 R27 F41 L50 V54 L59 L62W19-L23 HydrophobicContact CH2-CD1 4.17Å; W19-L23 HydrophobicContact CZ3-CD1 3.65Å; D20-L23 HydrophobicContact CB-CB 4.4Å; D20-L23 HydrophobicContact CB-CD1 4.4Å; D20-L23 PolarHBondContact O-N 2.82Å; L23-S26 WeakPolarHBondContact O-CB 2.98Å; L23-S26 PolarHBondContact O-N 3.25Å; L23-R27 WeakPolarHBondContact O-CG 3.46Å; L23-R27 PolarHBondContact O-N 2.78Å; L23-F41 HydrophobicContact CB-CZ 4.35Å; L23-L50 HydrophobicContact CD2-CD1 3.8Å; L23-V54 HydrophobicContact CD1-CG2 4.37Å; L23-V54 HydrophobicContact CD2-CG1 4.32Å; L23-V54 HydrophobicContact CD2-CG2 4.36Å; L23-V54 HydrophobicContact CG-CG2 4.14Å; L23-L59 HydrophobicContact CD2-CD2 4.18Å; L23-L62 HydrophobicContact CD2-CD2 4.29Å
24A97.5Very high94.9Very high4 Ų446.9 Ų46.93%0.03321%0.207CC..Hα-helixtrans-59.2-46.5172.400000111.1Q15 D20 C21 S26 R27 M28 P193Q15-A24 HydrophobicContact CB-CB 3.96Å; D20-A24 PolarHBondContact O-N 3.26Å; C21-A24 PolarHBondContact O-N 2.89Å; A24-S26 VanDerWaalsContact C-N 3.33Å; A24-S26 PolarHBondContact O-N 2.82Å; A24-R27 PolarHBondContact O-N 3.45Å; A24-M28 WeakPolarHBondContact O-CG 3.46Å; A24-M28 PolarHBondContact O-N 2.95Å; A24-P193 HydrophobicContact CB-CB 3.75Å
25C98.6Very high95Very high0 Ų044.5 Ų44.50%021%0.21CC..Hα-helixtrans-58.1-42.5172.6-72.90000112.8C21 G22 R27 M28 V29 I135 F175 V177C21-C25 WeakPolarHBondContact O-CB 3.43Å; C21-C25 PolarHBondContact O-N 2.82Å; C21-C25 PolarHBondContact O-SG 3.36Å; G22-C25 PolarHBondContact O-N 2.99Å; C25-R27 PolarHBondContact O-N 2.96Å; C25-M28 HydrophobicContact CB-CE 4.35Å; C25-M28 WeakPolarHBondContact O-CB 3.48Å; C25-M28 PolarHBondContact O-N 3.33Å; C25-V29 WeakPolarHBondContact O-CG2 3.35Å; C25-V29 PolarHBondContact O-N 3.31Å; C25-I135 HydrophobicContact CB-CD1 4.12Å; C25-I135 HydrophobicContact CB-CG1 4.25Å; C25-I135 HydrophobicContact CB-CG2 3.9Å; C25-F175 HydrophobicContact CB-CB 4.47Å; C25-F175 PolarHBondContact SG-O 2.88Å; C25-F175 VanDerWaalsContact SG-O 3.39Å; C25-V177 HydrophobicContact CB-CG2 3.66Å
26S98.6Very high95.2Very high0 Ų044.8 Ų44.80%021%0.214CC..Hα-helixtrans-61.9-44176.7-61.30000111.9G22 L23 A24 M28 V29 L30 L59G22-S26 WeakPolarHBondContact O-CB 3.33Å; G22-S26 PolarHBondContact O-N 3.1Å; G22-S26 PolarHBondContact O-OG 2.88Å; L23-S26 WeakPolarHBondContact O-CB 2.98Å; L23-S26 PolarHBondContact O-N 3.25Å; A24-S26 VanDerWaalsContact C-N 3.33Å; A24-S26 PolarHBondContact O-N 2.82Å; S26-M28 PolarHBondContact O-N 3.05Å; S26-V29 PolarHBondContact O-N 2.87Å; S26-L30 WeakPolarHBondContact O-CB 3.41Å; S26-L30 WeakPolarHBondContact O-CD1 3.37Å; S26-L30 WeakPolarHBondContact O-CG 3.35Å; S26-L30 PolarHBondContact O-N 2.98Å; S26-L59 WeakPolarHBondContact OG-CD2 3.43Å
27R98Very high95.5Very high61 Ų6140.8 Ų40.823%0.2320%0.197CC..Hα-helixtrans-62.8-39.8175.1-67.2176.975.4-160.56.6112.3I13 L23 A24 C25 K31 D38 F41I13-R27 HydrophobicContact CD1-CB 3.57Å; L23-R27 WeakPolarHBondContact O-CG 3.46Å; L23-R27 PolarHBondContact O-N 2.78Å; A24-R27 PolarHBondContact O-N 3.45Å; C25-R27 PolarHBondContact O-N 2.96Å; R27-K31 WeakPolarHBondContact O-CG 3.47Å; R27-K31 PolarHBondContact O-N 2.86Å; R27-D38 IonicContact CZ-OD1 3.38Å; R27-D38 IonicContact NE-OD1 2.73Å; R27-D38 IonicContact NH2-OD1 3.23Å; R27-D38 PolarHBondContact NH2-OD1 3.45Å; R27-D38 IonicContact NH2-OD2 3.24Å; R27-F41 HydrophobicContact CG-CD1 4.17Å; R27-F41 HydrophobicContact CG-CD2 4.02Å; R27-F41 HydrophobicContact CG-CE1 3.79Å; R27-F41 HydrophobicContact CG-CE2 3.61Å; R27-F41 HydrophobicContact CG-CG 4.28Å; R27-F41 HydrophobicContact CG-CZ 3.49Å; R27-F41 VanDerWaalsContact CG-CZ 3.49Å
28M98Very high95.8Very high0 Ų038.3 Ų38.30%019%0.193CC..Hα-helixtrans-60-49.8175.9-71.4-168.6-90.200110.9V10 P11 I13 A24 C25 S26 Y32 V177 N191 P193V10-M28 HydrophobicContact CG1-CB 4.08Å; P11-M28 WeakPolarHBondContact O-CB 3.13Å; P11-M28 WeakPolarHBondContact O-CG 3.31Å; I13-M28 HydrophobicContact CB-CG 3.66Å; I13-M28 HydrophobicContact CD1-CG 4.23Å; I13-M28 HydrophobicContact CG1-CG 3.85Å; I13-M28 PolarHBondContact N-SD 3.47Å; A24-M28 WeakPolarHBondContact O-CG 3.46Å; A24-M28 PolarHBondContact O-N 2.95Å; C25-M28 HydrophobicContact CB-CE 4.35Å; C25-M28 WeakPolarHBondContact O-CB 3.48Å; C25-M28 PolarHBondContact O-N 3.33Å; S26-M28 PolarHBondContact O-N 3.05Å; M28-Y32 PolarHBondContact O-N 2.86Å; M28-V177 HydrophobicContact CB-CG2 4.16Å; M28-V177 HydrophobicContact CE-CG2 3.96Å; M28-V177 HydrophobicContact SD-CG2 4.48Å; M28-N191 HydrophobicContact CE-CB 4.27Å; M28-N191 HydrophobicContact SD-CB 3.64Å; M28-P193 HydrophobicContact CE-CB 3.85Å; M28-P193 HydrophobicContact CE-CG 4.39Å
29V98.3Very high96.5Very high0 Ų039 Ų390%020%0.197CC..Hα-helixtrans-63.5-47.3179170.50000111.2C25 S26 K31 Y32 V33 V133 I135 V177 V223C25-V29 WeakPolarHBondContact O-CG2 3.35Å; C25-V29 PolarHBondContact O-N 3.31Å; S26-V29 PolarHBondContact O-N 2.87Å; V29-K31 PolarHBondContact O-N 3.41Å; V29-Y32 WeakPolarHBondContact O-CA 3.48Å; V29-Y32 WeakPolarHBondContact O-CB 3.42Å; V29-Y32 PolarHBondContact O-N 3.3Å; V29-V33 HydrophobicContact CG1-CG1 4.33Å; V29-V33 HydrophobicContact CG1-CG2 4.06Å; V29-V33 WeakPolarHBondContact O-CG2 3.43Å; V29-V33 PolarHBondContact O-N 3.24Å; V29-V133 HydrophobicContact CB-CG2 4.3Å; V29-V133 HydrophobicContact CG1-CG2 3.69Å; V29-V133 HydrophobicContact CG2-CG2 3.88Å; V29-I135 HydrophobicContact CG2-CD1 4.05Å; V29-I135 HydrophobicContact CG2-CG1 3.74Å; V29-V177 HydrophobicContact CG2-CG1 3.75Å; V29-V177 HydrophobicContact CG2-CG2 3.91Å; V29-V223 HydrophobicContact CG1-CB 3.73Å; V29-V223 HydrophobicContact CG1-CG1 3.52Å; V29-V223 HydrophobicContact CG1-CG2 3.92Å
30L98.1Very high97.1Very high2 Ų240.6 Ų40.61%0.0121%0.206CC..Hα-helixtrans-58.5-47.7178.8-73.2164.3000111.7S26 Y32 V33 H34 P35 V36 F41 M63 L66 V68S26-L30 WeakPolarHBondContact O-CB 3.41Å; S26-L30 WeakPolarHBondContact O-CD1 3.37Å; S26-L30 WeakPolarHBondContact O-CG 3.35Å; S26-L30 PolarHBondContact O-N 2.98Å; L30-Y32 PolarHBondContact O-N 3.44Å; L30-V33 PolarHBondContact O-N 3.2Å; L30-H34 CarbonylContact C-O 3.55Å; L30-H34 CarbonylContact O-C 3.59Å; L30-H34 WeakPolarHBondContact O-CA 3.32Å; L30-H34 PolarHBondContact O-N 2.86Å; L30-P35 VanDerWaalsContact O-N 3.1Å; L30-V36 HydrophobicContact CB-CG2 4.37Å; L30-V36 HydrophobicContact CD1-CG2 4.08Å; L30-F41 HydrophobicContact CD1-CD2 3.55Å; L30-F41 HydrophobicContact CD1-CE2 3.61Å; L30-M63 HydrophobicContact CD2-SD 4.28Å; L30-M63 HydrophobicContact CG-CE 4.5Å; L30-L66 HydrophobicContact CD1-CD1 3.5Å; L30-L66 VanDerWaalsContact CD1-CD1 3.5Å; L30-L66 HydrophobicContact CD2-CB 4.42Å; L30-L66 HydrophobicContact CD2-CD1 3.85Å; L30-L66 HydrophobicContact CG-CD1 4.34Å; L30-V68 HydrophobicContact CD2-CG2 3.7Å
31K97Very high97.3Very high116 Ų11640.2 Ų40.250%0.50420%0.204SC..Hα-helixtrans-58.1-25.8175.4-77-162.4-179.1-172.10113.7P11 I13 R27 V29P11-K31 HydrophobicContact CG-CB 3.5Å; P11-K31 VanDerWaalsContact CG-CB 3.5Å; P11-K31 HydrophobicContact CG-CD 4.14Å; P11-K31 HydrophobicContact CG-CG 4.45Å; I13-K31 HydrophobicContact CD1-CD 4.03Å; R27-K31 WeakPolarHBondContact O-CG 3.47Å; R27-K31 PolarHBondContact O-N 2.86Å; V29-K31 PolarHBondContact O-N 3.41Å
32Y97.4Very high97.3Very high38 Ų3845.1 Ų45.115%0.14923%0.226CC..Hα-helixtrans-87-39.7178175.7-109000113.5L8 V10 M28 V29 L30 G131 V133 K225L8-Y32 HydrophobicContact CB-CE2 4.5Å; L8-Y32 HydrophobicContact CD1-CE1 4.43Å; V10-Y32 HydrophobicContact CB-CG 4.5Å; V10-Y32 HydrophobicContact CG2-CD1 4Å; V10-Y32 HydrophobicContact CG2-CD2 4.21Å; V10-Y32 HydrophobicContact CG2-CE1 4.46Å; V10-Y32 HydrophobicContact CG2-CG 3.89Å; M28-Y32 PolarHBondContact O-N 2.86Å; V29-Y32 WeakPolarHBondContact O-CA 3.48Å; V29-Y32 WeakPolarHBondContact O-CB 3.42Å; V29-Y32 PolarHBondContact O-N 3.3Å; L30-Y32 PolarHBondContact O-N 3.44Å; Y32-G131 WeakPolarHBondContact CE1-O 3.49Å; Y32-G131 PolarHBondContact OH-O 3.32Å; Y32-V133 HydrophobicContact CD1-CG1 3.77Å; Y32-V133 HydrophobicContact CD1-CG2 4.17Å; Y32-V133 HydrophobicContact CE1-CG1 3.69Å; Y32-K225 HydrophobicContact CE1-CD 3.9Å
33V96.9Very high97.4Very high18 Ų1851.8 Ų51.811%0.10925%0.251CS..Hα-helixtrans-104.9-31.9-171.5-53.40000114.7V29 L30 V68 V133 V223 K225V29-V33 HydrophobicContact CG1-CG1 4.33Å; V29-V33 HydrophobicContact CG1-CG2 4.06Å; V29-V33 WeakPolarHBondContact O-CG2 3.43Å; V29-V33 PolarHBondContact O-N 3.24Å; L30-V33 PolarHBondContact O-N 3.2Å; V33-V68 HydrophobicContact CG2-CG1 3.96Å; V33-V133 HydrophobicContact CG1-CG2 4.05Å; V33-V223 HydrophobicContact CG2-CG1 3.96Å; V33-K225 HydrophobicContact CB-CB 4.4Å; V33-K225 HydrophobicContact CB-CG 4.46Å; V33-K225 HydrophobicContact CG1-CB 4.04Å; V33-K225 HydrophobicContact CG1-CG 4.39Å
34H94.9Very high97.3Very high78 Ų7850.9 Ų50.936%0.36125%0.246SC..SBendtrans-160.679.4-173.5-173.171.5000109.1L30 V36 V68L30-H34 CarbonylContact C-O 3.55Å; L30-H34 CarbonylContact O-C 3.59Å; L30-H34 WeakPolarHBondContact O-CA 3.32Å; L30-H34 PolarHBondContact O-N 2.86Å; H34-V36 PolarHBondContact O-N 3.27Å; H34-V68 HydrophobicContact CB-CG2 3.82Å
35P95.2Very high97.4Very high99 Ų9951.3 Ų51.364%0.64325%0.249SC*.  trans-59.9127.4-176-23.733.7000111.1L30L30-P35 VanDerWaalsContact O-N 3.1Å
36V96.4Very high97.3Very high34 Ų3461 Ų6121%0.20629%0.286CS..  trans-120.1153.8174.5-64.50000109.4L30 H34 E40 F41 L66L30-V36 HydrophobicContact CB-CG2 4.37Å; L30-V36 HydrophobicContact CD1-CG2 4.08Å; H34-V36 PolarHBondContact O-N 3.27Å; V36-E40 HydrophobicContact CB-CB 4.29Å; V36-F41 HydrophobicContact CG2-CB 4.29Å; V36-L66 HydrophobicContact CG1-CD2 4.38Å
37S97.4Very high97.2Very high44 Ų4465.7 Ų65.731%0.30831%0.308SS..  trans-66.4159171.861.30000111.5E39 E40 F41S37-E39 PolarHBondContact O-N 3.07Å; S37-E40 WeakPolarHBondContact CB-OE2 3.27Å; S37-E40 PolarHBondContact N-OE2 2.9Å; S37-E40 PolarHBondContact O-N 2.85Å; S37-E40 WeakPolarHBondContact OG-CB 3.45Å; S37-E40 WeakPolarHBondContact OG-CG 3.31Å; S37-E40 PolarHBondContact OG-N 3.3Å; S37-E40 PolarHBondContact OG-OE2 2.98Å; S37-F41 PolarHBondContact O-N 2.83Å
38D95.3Very high97.2Very high86 Ų8665 Ų6546%0.4631%0.308SS..Hα-helixtrans-64-34.6174.9-80.1-25.8000110.4R27 F41 Q42R27-D38 IonicContact CZ-OD1 3.38Å; R27-D38 IonicContact NE-OD1 2.73Å; R27-D38 IonicContact NH2-OD1 3.23Å; R27-D38 PolarHBondContact NH2-OD1 3.45Å; R27-D38 IonicContact NH2-OD2 3.24Å; D38-F41 PolarHBondContact O-N 3.07Å; D38-Q42 WeakPolarHBondContact O-CB 3.47Å; D38-Q42 VanDerWaalsContact O-CG 3.24Å; D38-Q42 WeakPolarHBondContact O-CG 3.45Å; D38-Q42 PolarHBondContact O-N 3.24Å
39E97.6Very high97Very high134 Ų13472.5 Ų72.563%0.62634%0.344SS*.Hα-helixtrans-63.6-42.9175.7-64.777.7-168.400112.8S37 R43S37-E39 PolarHBondContact O-N 3.07Å; E39-R43 VanDerWaalsContact O-CB 3.31Å; E39-R43 WeakPolarHBondContact O-CB 3.47Å; E39-R43 PolarHBondContact O-N 3.41Å
40E97.9Very high96.8Very high91 Ų9174 Ų7443%0.42535%0.351SS..Hα-helixtrans-65-43175.9-75.3163.3148.300111.6V36 S37 R43 A44V36-E40 HydrophobicContact CB-CB 4.29Å; S37-E40 WeakPolarHBondContact CB-OE2 3.27Å; S37-E40 PolarHBondContact N-OE2 2.9Å; S37-E40 PolarHBondContact O-N 2.85Å; S37-E40 WeakPolarHBondContact OG-CB 3.45Å; S37-E40 WeakPolarHBondContact OG-CG 3.31Å; S37-E40 PolarHBondContact OG-N 3.3Å; S37-E40 PolarHBondContact OG-OE2 2.98Å; E40-R43 PolarHBondContact O-N 2.99Å; E40-A44 PolarHBondContact O-N 3.32Å
41F97.9Very high96.5Very high6 Ų676.3 Ų76.33%0.02637%0.365CS..Hα-helixtrans-61.3-47.6176.5-174.1-92.1000111.5L23 R27 L30 V36 S37 D38 R43 A44 C45 L62 L66L23-F41 HydrophobicContact CB-CZ 4.35Å; R27-F41 HydrophobicContact CG-CD1 4.17Å; R27-F41 HydrophobicContact CG-CD2 4.02Å; R27-F41 HydrophobicContact CG-CE1 3.79Å; R27-F41 HydrophobicContact CG-CE2 3.61Å; R27-F41 HydrophobicContact CG-CG 4.28Å; R27-F41 HydrophobicContact CG-CZ 3.49Å; R27-F41 VanDerWaalsContact CG-CZ 3.49Å; L30-F41 HydrophobicContact CD1-CD2 3.55Å; L30-F41 HydrophobicContact CD1-CE2 3.61Å; V36-F41 HydrophobicContact CG2-CB 4.29Å; S37-F41 PolarHBondContact O-N 2.83Å; D38-F41 PolarHBondContact O-N 3.07Å; F41-R43 VanDerWaalsContact C-N 3.34Å; F41-R43 PolarHBondContact O-N 3Å; F41-A44 PolarHBondContact O-N 3.36Å; F41-C45 VanDerWaalsContact CE1-SG 3.56Å; F41-C45 PolarHBondContact O-N 3.18Å; F41-C45 PolarHBondContact O-SG 3.24Å; F41-L62 HydrophobicContact CE2-CD2 3.74Å; F41-L62 HydrophobicContact CZ-CD2 3.92Å; F41-L66 HydrophobicContact CD2-CD1 4.36Å
42Q96.9Very high96.2Very high115 Ų11576.3 Ų76.354%0.53737%0.367SS..Hα-helixtrans-64-39.3178-68.4-56.7-34.900112.1D38 C45 W46D38-Q42 WeakPolarHBondContact O-CB 3.47Å; D38-Q42 VanDerWaalsContact O-CG 3.24Å; D38-Q42 WeakPolarHBondContact O-CG 3.45Å; D38-Q42 PolarHBondContact O-N 3.24Å; Q42-C45 PolarHBondContact O-N 3.34Å; Q42-W46 WeakPolarHBondContact O-CB 3.35Å; Q42-W46 PolarHBondContact O-N 2.85Å
43R98.3Very high95.8Very high140 Ų14076 Ų7653%0.52837%0.371SS..Hα-helixtrans-60.4-47.3174.8-174.5-177.3-59.41416.1111.2E39 E40 F41 C45 W46 E47E39-R43 VanDerWaalsContact O-CB 3.31Å; E39-R43 WeakPolarHBondContact O-CB 3.47Å; E39-R43 PolarHBondContact O-N 3.41Å; E40-R43 PolarHBondContact O-N 2.99Å; F41-R43 VanDerWaalsContact C-N 3.34Å; F41-R43 PolarHBondContact O-N 3Å; R43-C45 PolarHBondContact O-N 3.29Å; R43-W46 PolarHBondContact O-N 2.86Å; R43-W46 VanDerWaalsContact O-N 3.16Å; R43-E47 HydrophobicContact CG-CG 4.3Å; R43-E47 WeakPolarHBondContact CG-OE1 3.37Å; R43-E47 WeakPolarHBondContact O-CG 3.31Å; R43-E47 PolarHBondContact O-N 3.09Å
44A98.1Very high95.6Very high2 Ų276.1 Ų76.12%0.01737%0.371CS..Hα-helixtrans-61.5-43.417800000112.1E40 F41 W46 E47 L48 L62 N65 L66E40-A44 PolarHBondContact O-N 3.32Å; F41-A44 PolarHBondContact O-N 3.36Å; A44-W46 VanDerWaalsContact C-N 3.3Å; A44-W46 PolarHBondContact O-N 2.87Å; A44-E47 PolarHBondContact O-N 3.48Å; A44-L48 WeakPolarHBondContact O-CB 3.34Å; A44-L48 VanDerWaalsContact O-CG 3.29Å; A44-L48 WeakPolarHBondContact O-CG 3.46Å; A44-L48 PolarHBondContact O-N 2.88Å; A44-L62 HydrophobicContact CB-CD1 3.73Å; A44-N65 WeakPolarHBondContact CB-ND2 3.4Å; A44-L66 HydrophobicContact CB-CD2 3.77Å; A44-L66 HydrophobicContact CB-CG 4.11Å
45C97.6Very high95.7Very high13 Ų1373.6 Ų73.69%0.08836%0.359CS..Hα-helixtrans-58.8-41.1174.1-69.60000112.3F41 Q42 R43 Q49 L50F41-C45 VanDerWaalsContact CE1-SG 3.56Å; F41-C45 PolarHBondContact O-N 3.18Å; F41-C45 PolarHBondContact O-SG 3.24Å; Q42-C45 PolarHBondContact O-N 3.34Å; R43-C45 PolarHBondContact O-N 3.29Å; C45-Q49 PolarHBondContact O-N 3.32Å; C45-L50 HydrophobicContact CB-CD1 4.16Å; C45-L50 HydrophobicContact CB-CG 4.49Å; C45-L50 PolarHBondContact O-N 2.95Å
46W97.2Very high95.8Very high203 Ų20369 Ų6977%0.76933%0.329SS*.Hα-helixtrans-70-45.5179.1-177.783.1000112.6Q42 R43 A44 L48 Q49Q42-W46 WeakPolarHBondContact O-CB 3.35Å; Q42-W46 PolarHBondContact O-N 2.85Å; R43-W46 PolarHBondContact O-N 2.86Å; R43-W46 VanDerWaalsContact O-N 3.16Å; A44-W46 VanDerWaalsContact C-N 3.3Å; A44-W46 PolarHBondContact O-N 2.87Å; W46-L48 VanDerWaalsContact C-N 3.29Å; W46-L48 PolarHBondContact O-N 2.86Å; W46-Q49 WeakPolarHBondContact O-CA 3.16Å; W46-Q49 PolarHBondContact O-N 2.78Å
47E97.5Very high95.9Very high99 Ų9967.4 Ų67.446%0.46332%0.319SS..Hα-helixtrans-61.2-38177.7-73.9172.8173.500112.2R43 A44 Q49 N65R43-E47 HydrophobicContact CG-CG 4.3Å; R43-E47 WeakPolarHBondContact CG-OE1 3.37Å; R43-E47 WeakPolarHBondContact O-CG 3.31Å; R43-E47 PolarHBondContact O-N 3.09Å; A44-E47 PolarHBondContact O-N 3.48Å; E47-Q49 PolarHBondContact O-N 3.49Å; E47-N65 PolarHBondContact OE2-ND2 2.84Å
48L96.9Very high96Very high46 Ų4665.5 Ų65.524%0.24131%0.306CS..THydrogen-bonded Turntrans-78.9-5.6175.4-67.3173.5000113.4A44 W46 L50 Y61 L62 N65A44-L48 WeakPolarHBondContact O-CB 3.34Å; A44-L48 VanDerWaalsContact O-CG 3.29Å; A44-L48 WeakPolarHBondContact O-CG 3.46Å; A44-L48 PolarHBondContact O-N 2.88Å; W46-L48 VanDerWaalsContact C-N 3.29Å; W46-L48 PolarHBondContact O-N 2.86Å; L48-L50 VanDerWaalsContact C-N 3.25Å; L48-L50 HydrophobicContact CB-CD2 3.9Å; L48-L50 HydrophobicContact CB-CG 4.02Å; L48-L50 PolarHBondContact O-N 3.15Å; L48-Y61 HydrophobicContact CD2-CD1 4.21Å; L48-L62 HydrophobicContact CD1-CB 4.08Å; L48-L62 HydrophobicContact CD1-CD1 4.13Å; L48-N65 HydrophobicContact CD1-CB 4.04Å; L48-N65 HydrophobicContact CD2-CB 4.49Å; L48-N65 HydrophobicContact CG-CB 4.44Å
49Q95.3Very high96.1Very high159 Ų15961.4 Ų61.474%0.74328%0.284SS*.THydrogen-bonded Turntrans5442.1-177.9-55.3178.14.800112.2C45 W46 E47 T51C45-Q49 PolarHBondContact O-N 3.32Å; W46-Q49 WeakPolarHBondContact O-CA 3.16Å; W46-Q49 PolarHBondContact O-N 2.78Å; E47-Q49 PolarHBondContact O-N 3.49Å; Q49-T51 PolarHBondContact O-N 2.88Å
50L94.1Very high96.2Very high32 Ų3255 Ų5517%0.16825%0.254CS..  trans-61.1136.2178.5-60.7-169.7000110.3L23 C45 L48 D58 L62L23-L50 HydrophobicContact CD2-CD1 3.8Å; C45-L50 HydrophobicContact CB-CD1 4.16Å; C45-L50 HydrophobicContact CB-CG 4.49Å; C45-L50 PolarHBondContact O-N 2.95Å; L48-L50 VanDerWaalsContact C-N 3.25Å; L48-L50 HydrophobicContact CB-CD2 3.9Å; L48-L50 HydrophobicContact CB-CG 4.02Å; L48-L50 PolarHBondContact O-N 3.15Å; L50-D58 HydrophobicContact CD2-CB 3.8Å; L50-L62 HydrophobicContact CD1-CD2 4.48Å
51T90.5Very high96.2Very high49 Ų4951.8 Ų51.830%0.30124%0.238SC..  trans-105.6179.5-179.274.10000110.4Q49 S53 V54Q49-T51 PolarHBondContact O-N 2.88Å; T51-S53 PolarHBondContact O-N 3.29Å; T51-S53 VanDerWaalsContact O-N 3.14Å; T51-S53 PolarHBondContact OG1-N 2.91Å; T51-S53 PolarHBondContact OG1-O 2.92Å; T51-V54 WeakPolarHBondContact O-CG2 3.28Å
52E90.1Very high96.3Very high116 Ų11651.5 Ų51.554%0.54224%0.236SC..SBendtrans-70.43.4169.2-55-176.3149.900113W19W19-E52 VanDerWaalsContact CB-O 3.26Å; W19-E52 WeakPolarHBondContact CB-O 3.37Å; W19-E52 HydrophobicContact CD2-CB 3.81Å; W19-E52 HydrophobicContact CD2-CG 4.11Å; W19-E52 HydrophobicContact CE3-CB 4.21Å; W19-E52 HydrophobicContact CG-CB 3.95Å; W19-E52 HydrophobicContact CH2-CG 4.41Å; W19-E52 HydrophobicContact CZ2-CB 4.48Å; W19-E52 HydrophobicContact CZ2-CG 3.88Å
53S89.9Confident96.3Very high33 Ų3346 Ų4623%0.23121%0.211CC..SBendtrans-11487.9170.8-169.80000109T51 W55 E96 R99T51-S53 PolarHBondContact O-N 3.29Å; T51-S53 VanDerWaalsContact O-N 3.14Å; T51-S53 PolarHBondContact OG1-N 2.91Å; T51-S53 PolarHBondContact OG1-O 2.92Å; S53-W55 PolarHBondContact OG-NE1 2.82Å; S53-E96 WeakPolarHBondContact CB-OE2 3.09Å; S53-R99 PolarHBondContact O-NH2 2.83Å
54V93.8Very high96.3Very high19 Ų1941.1 Ų41.112%0.11520%0.198CC..  trans-91.5122.2-176.5-179.30000110.3W19 L23 T51 D58 L59W19-V54 HydrophobicContact CE3-CG2 4.09Å; W19-V54 HydrophobicContact CZ3-CG2 4.12Å; L23-V54 HydrophobicContact CD1-CG2 4.37Å; L23-V54 HydrophobicContact CD2-CG1 4.32Å; L23-V54 HydrophobicContact CD2-CG2 4.36Å; L23-V54 HydrophobicContact CG-CG2 4.14Å; T51-V54 WeakPolarHBondContact O-CG2 3.28Å; V54-D58 HydrophobicContact CG1-CB 4.39Å; V54-L59 HydrophobicContact CG1-CD2 3.43Å; V54-L59 VanDerWaalsContact CG1-CD2 3.43Å; V54-L59 HydrophobicContact CG1-CG 4.1Å
55W95.9Very high96.3Very high26 Ų2644.6 Ų44.610%0.09822%0.216CC..  trans-107.4162.8176.6-68.460.8000111.1S53 I57 D58 L59 V79 Y89 V100S53-W55 PolarHBondContact OG-NE1 2.82Å; W55-I57 HydrophobicContact CB-CG2 4.05Å; W55-I57 PolarHBondContact O-N 2.7Å; W55-D58 WeakPolarHBondContact CB-OD2 3.41Å; W55-D58 PolarHBondContact N-OD2 3.42Å; W55-D58 WeakPolarHBondContact O-CA 3.21Å; W55-D58 VanDerWaalsContact O-CB 3.26Å; W55-D58 WeakPolarHBondContact O-CB 3.25Å; W55-D58 PolarHBondContact O-N 2.75Å; W55-L59 PolarHBondContact O-N 3.17Å; W55-V79 HydrophobicContact CH2-CB 4.35Å; W55-V79 HydrophobicContact CH2-CG1 3.97Å; W55-V79 HydrophobicContact CH2-CG2 3.65Å; W55-V79 HydrophobicContact CZ2-CG2 4.32Å; W55-V79 HydrophobicContact CZ3-CG2 3.85Å; W55-Y89 HydrophobicContact CH2-CE1 4.05Å; W55-Y89 HydrophobicContact CZ2-CD1 4.46Å; W55-Y89 AromaticContact CZ2-CE1 3.74Å; W55-Y89 HydrophobicContact CZ2-CE1 3.74Å; W55-V100 HydrophobicContact CD2-CG1 4.38Å; W55-V100 HydrophobicContact CD2-CG2 3.68Å; W55-V100 HydrophobicContact CE3-CG1 4.01Å; W55-V100 HydrophobicContact CE3-CG2 4.14Å; W55-V100 HydrophobicContact CG-CG2 3.84Å; W55-V100 HydrophobicContact CZ2-CG2 4.36Å; W55-V100 HydrophobicContact CZ3-CG1 4.33Å
56T98.2Very high96.4Very high2 Ų245 Ų451%0.01222%0.217CC..Hα-helixtrans-59.8-34.4179.5-43.10000112.1D58 L59 A60 F72 F175 D219 L221T56-D58 VanDerWaalsContact C-N 3.31Å; T56-D58 PolarHBondContact O-N 3.28Å; T56-L59 WeakPolarHBondContact O-CB 3.5Å; T56-L59 PolarHBondContact O-N 2.75Å; T56-A60 PolarHBondContact O-N 2.96Å; T56-F72 HydrophobicContact CG2-CD2 3.57Å; T56-F72 HydrophobicContact CG2-CE1 4.45Å; T56-F72 HydrophobicContact CG2-CE2 3.3Å; T56-F72 HydrophobicContact CG2-CG 4.3Å; T56-F72 HydrophobicContact CG2-CZ 3.8Å; T56-F175 HydrophobicContact CG2-CE1 4.32Å; T56-F175 VanDerWaalsContact OG1-CE1 3.31Å; T56-F175 WeakPolarHBondContact OG1-CE1 3.49Å; T56-F175 WeakPolarHBondContact OG1-CZ 3.47Å; T56-D219 WeakPolarHBondContact CB-OD2 3.14Å; T56-D219 HydrophobicContact CG2-CB 4.16Å; T56-D219 WeakPolarHBondContact OG1-CB 3.44Å; T56-D219 PolarHBondContact OG1-OD2 3.01Å; T56-L221 HydrophobicContact CG2-CB 4.17Å
57I98.3Very high96.3Very high1 Ų137.9 Ų37.91%0.00521%0.207CC..Hα-helixtrans-62.6-37.1174-168.761.7000111.8W55 L59 A60 Y61 F72 V100 L103 F104 A107 V112 V114W55-I57 HydrophobicContact CB-CG2 4.05Å; W55-I57 PolarHBondContact O-N 2.7Å; I57-L59 VanDerWaalsContact C-N 3.31Å; I57-L59 PolarHBondContact O-N 3.35Å; I57-A60 WeakPolarHBondContact O-CB 3.36Å; I57-A60 PolarHBondContact O-N 3.36Å; I57-Y61 HydrophobicContact CD1-CD2 4.19Å; I57-Y61 HydrophobicContact CD1-CE2 4.05Å; I57-Y61 HydrophobicContact CG1-CD2 4.01Å; I57-Y61 HydrophobicContact CG1-CE2 3.95Å; I57-Y61 WeakPolarHBondContact O-CD2 3.49Å; I57-Y61 PolarHBondContact O-N 3.39Å; I57-F72 HydrophobicContact CB-CD1 4.48Å; I57-F72 HydrophobicContact CB-CE1 4.02Å; I57-F72 HydrophobicContact CD1-CD1 3.93Å; I57-F72 HydrophobicContact CD1-CE1 4.15Å; I57-V100 HydrophobicContact CG2-CG1 4.23Å; I57-L103 HydrophobicContact CG1-CB 3.89Å; I57-L103 HydrophobicContact CG2-CB 4.27Å; I57-L103 HydrophobicContact CG2-CD1 4.03Å; I57-F104 HydrophobicContact CB-CD2 4.41Å; I57-F104 HydrophobicContact CB-CE2 3.98Å; I57-F104 HydrophobicContact CB-CZ 4.15Å; I57-F104 HydrophobicContact CD1-CD1 4.27Å; I57-F104 HydrophobicContact CD1-CE1 4.3Å; I57-F104 HydrophobicContact CG1-CD2 4.27Å; I57-F104 HydrophobicContact CG1-CE2 4.31Å; I57-F104 HydrophobicContact CG1-CG 4.44Å; I57-F104 HydrophobicContact CG2-CD2 4.42Å; I57-F104 HydrophobicContact CG2-CE2 4.06Å; I57-A107 HydrophobicContact CD1-CB 4.49Å; I57-V112 HydrophobicContact CD1-CG1 4.22Å; I57-V114 HydrophobicContact CD1-CG2 3.69Å
58D98.4Very high96.3Very high4 Ų433.5 Ų33.52%0.02119%0.187CC..Hα-helixtrans-62.3-41.9175.7-65.1-51.2000110.8L50 V54 W55 T56 A60 Y61 L62 R99 L103L50-D58 HydrophobicContact CD2-CB 3.8Å; V54-D58 HydrophobicContact CG1-CB 4.39Å; W55-D58 WeakPolarHBondContact CB-OD2 3.41Å; W55-D58 PolarHBondContact N-OD2 3.42Å; W55-D58 WeakPolarHBondContact O-CA 3.21Å; W55-D58 VanDerWaalsContact O-CB 3.26Å; W55-D58 WeakPolarHBondContact O-CB 3.25Å; W55-D58 PolarHBondContact O-N 2.75Å; T56-D58 VanDerWaalsContact C-N 3.31Å; T56-D58 PolarHBondContact O-N 3.28Å; D58-A60 VanDerWaalsContact C-N 3.33Å; D58-A60 PolarHBondContact O-N 3.06Å; D58-Y61 PolarHBondContact O-N 3.3Å; D58-L62 PolarHBondContact O-N 3.32Å; D58-R99 IonicContact OD1-CZ 3.85Å; D58-R99 IonicContact OD1-NH1 3.61Å; D58-R99 PolarHBondContact OD1-NH1 3.17Å; D58-R99 IonicContact OD2-CZ 2.94Å; D58-R99 IonicContact OD2-NH1 2.79Å; D58-R99 PolarHBondContact OD2-NH1 2.7Å; D58-R99 IonicContact OD2-NH2 3.76Å; D58-R99 PolarHBondContact OD2-NH2 2.72Å; D58-L103 WeakPolarHBondContact OD1-CD1 3.44Å
59L98.7Very high96.4Very high0 Ų038 Ų380%020%0.204CC..Hα-helixtrans-65.1-37176.1-53.4-172.3000111.8L23 S26 V54 W55 T56 I57 L62 M63 I135 F175 L221L23-L59 HydrophobicContact CD2-CD2 4.18Å; S26-L59 WeakPolarHBondContact OG-CD2 3.43Å; V54-L59 HydrophobicContact CG1-CD2 3.43Å; V54-L59 VanDerWaalsContact CG1-CD2 3.43Å; V54-L59 HydrophobicContact CG1-CG 4.1Å; W55-L59 PolarHBondContact O-N 3.17Å; T56-L59 WeakPolarHBondContact O-CB 3.5Å; T56-L59 PolarHBondContact O-N 2.75Å; I57-L59 VanDerWaalsContact C-N 3.31Å; I57-L59 PolarHBondContact O-N 3.35Å; L59-L62 WeakPolarHBondContact O-CB 3.15Å; L59-L62 PolarHBondContact O-N 2.92Å; L59-M63 WeakPolarHBondContact O-CG 3.35Å; L59-M63 PolarHBondContact O-N 3.49Å; L59-I135 HydrophobicContact CD1-CD1 4.42Å; L59-I135 HydrophobicContact CD1-CG2 4Å; L59-F175 HydrophobicContact CD1-CD1 4.18Å; L59-F175 HydrophobicContact CD1-CE1 4.08Å; L59-F175 HydrophobicContact CD1-CE2 4.45Å; L59-F175 HydrophobicContact CD1-CG 4.39Å; L59-F175 HydrophobicContact CD1-CZ 4.23Å; L59-L221 HydrophobicContact CB-CD2 3.73Å
60A98.8Very high96.6Very high0 Ų031 Ų310%017%0.171CC..Hα-helixtrans-65.3-42.9175.400000111.6T56 I57 D58 L62 M63 C64 H70 F72 V112 L221T56-A60 PolarHBondContact O-N 2.96Å; I57-A60 WeakPolarHBondContact O-CB 3.36Å; I57-A60 PolarHBondContact O-N 3.36Å; D58-A60 VanDerWaalsContact C-N 3.33Å; D58-A60 PolarHBondContact O-N 3.06Å; A60-L62 VanDerWaalsContact C-N 3.3Å; A60-L62 PolarHBondContact O-N 3.25Å; A60-M63 PolarHBondContact O-N 3.35Å; A60-C64 WeakPolarHBondContact O-CB 3.45Å; A60-C64 PolarHBondContact O-N 2.98Å; A60-H70 PolarHBondContact O-NE2 2.99Å; A60-F72 HydrophobicContact CB-CB 4.09Å; A60-F72 HydrophobicContact CB-CD1 4.42Å; A60-V112 HydrophobicContact CB-CG1 3.66Å; A60-L221 HydrophobicContact CB-CD1 3.95Å
61Y98.8Very high96.8Very high22 Ų2230 Ų309%0.08617%0.167CC..Hα-helixtrans-60.6-39.4171.5-90.7-95.7000112L48 I57 D58 C64 N65 L103 A107 K110 V112L48-Y61 HydrophobicContact CD2-CD1 4.21Å; I57-Y61 HydrophobicContact CD1-CD2 4.19Å; I57-Y61 HydrophobicContact CD1-CE2 4.05Å; I57-Y61 HydrophobicContact CG1-CD2 4.01Å; I57-Y61 HydrophobicContact CG1-CE2 3.95Å; I57-Y61 WeakPolarHBondContact O-CD2 3.49Å; I57-Y61 PolarHBondContact O-N 3.39Å; D58-Y61 PolarHBondContact O-N 3.3Å; Y61-C64 WeakPolarHBondContact O-CB 3.43Å; Y61-C64 PolarHBondContact O-N 3.2Å; Y61-N65 WeakPolarHBondContact O-CB 3.47Å; Y61-N65 PolarHBondContact O-N 3.48Å; Y61-L103 HydrophobicContact CD1-CD2 4.45Å; Y61-L103 HydrophobicContact CD2-CD2 4.09Å; Y61-L103 HydrophobicContact CE1-CD2 4.17Å; Y61-L103 HydrophobicContact CE2-CB 3.87Å; Y61-L103 HydrophobicContact CE2-CD2 3.8Å; Y61-L103 HydrophobicContact CE2-CG 4.4Å; Y61-L103 WeakPolarHBondContact CE2-O 3.38Å; Y61-L103 HydrophobicContact CG-CD2 4.4Å; Y61-L103 PolarHBondContact OH-O 3.01Å; Y61-A107 HydrophobicContact CE2-CB 4.43Å; Y61-A107 WeakPolarHBondContact OH-CA 3.25Å; Y61-A107 PolarHBondContact OH-N 3.49Å; Y61-K110 HydrophobicContact CE1-CB 3.87Å; Y61-K110 HydrophobicContact CE1-CG 4.04Å; Y61-V112 HydrophobicContact CD1-CG2 3.73Å; Y61-V112 HydrophobicContact CD2-CB 4.41Å; Y61-V112 HydrophobicContact CD2-CG1 4.12Å; Y61-V112 HydrophobicContact CD2-CG2 3.79Å; Y61-V112 HydrophobicContact CE1-CG2 3.83Å; Y61-V112 HydrophobicContact CE2-CB 4.28Å; Y61-V112 HydrophobicContact CE2-CG1 4.27Å; Y61-V112 HydrophobicContact CE2-CG2 3.88Å; Y61-V112 HydrophobicContact CG-CG2 3.73Å
62L98.6Very high97.2Very high0 Ų027.7 Ų27.70%015%0.153CC..Hα-helixtrans-62.4-46175.6-177.561.6000112.1L23 F41 A44 L48 L50 D58 L59 A60 C64 N65 L66L23-L62 HydrophobicContact CD2-CD2 4.29Å; F41-L62 HydrophobicContact CE2-CD2 3.74Å; F41-L62 HydrophobicContact CZ-CD2 3.92Å; A44-L62 HydrophobicContact CB-CD1 3.73Å; L48-L62 HydrophobicContact CD1-CB 4.08Å; L48-L62 HydrophobicContact CD1-CD1 4.13Å; L50-L62 HydrophobicContact CD1-CD2 4.48Å; D58-L62 PolarHBondContact O-N 3.32Å; L59-L62 WeakPolarHBondContact O-CB 3.15Å; L59-L62 PolarHBondContact O-N 2.92Å; A60-L62 VanDerWaalsContact C-N 3.3Å; A60-L62 PolarHBondContact O-N 3.25Å; L62-C64 VanDerWaalsContact C-N 3.3Å; L62-C64 PolarHBondContact O-N 2.98Å; L62-N65 PolarHBondContact O-N 3.09Å; L62-L66 HydrophobicContact CD1-CD1 3.87Å; L62-L66 HydrophobicContact CD1-CG 4.36Å; L62-L66 HydrophobicContact CG-CD1 4.11Å; L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 WeakPolarHBondContact O-CG 3.43Å; L62-L66 PolarHBondContact O-N 3.35Å; L62-L66 VanDerWaalsContact O-N 3.09Å
63M98.5Very high97.6Very high0 Ų022.4 Ų22.40%013%0.129CC..Hα-helixtrans-60.3-42.3174.2-64.3-57.2149.900111.3L30 L59 A60 L66 G67 V68 H70 I135 L221 V223L30-M63 HydrophobicContact CD2-SD 4.28Å; L30-M63 HydrophobicContact CG-CE 4.5Å; L59-M63 WeakPolarHBondContact O-CG 3.35Å; L59-M63 PolarHBondContact O-N 3.49Å; A60-M63 PolarHBondContact O-N 3.35Å; M63-L66 PolarHBondContact O-N 3.46Å; M63-G67 PolarHBondContact O-N 3.44Å; M63-V68 HydrophobicContact CB-CB 4.22Å; M63-V68 PolarHBondContact O-N 3.33Å; M63-V68 HydrophobicContact SD-CB 4.26Å; M63-V68 HydrophobicContact SD-CG1 4.25Å; M63-H70 HydrophobicContact CB-CB 4Å; M63-H70 HydrophobicContact CG-CB 4.43Å; M63-I135 HydrophobicContact CE-CD1 4.01Å; M63-L221 HydrophobicContact CG-CD2 4.03Å; M63-V223 HydrophobicContact CG-CG2 4.32Å; M63-V223 HydrophobicContact SD-CG1 4.43Å; M63-V223 HydrophobicContact SD-CG2 4.32Å
64C98.3Very high98Very high37 Ų3720.9 Ų20.925%0.2512%0.118CC..Hα-helixtrans-61.8-47.2176.6-165.30000112.5A60 Y61 L62 L66 G67 K110 V112A60-C64 WeakPolarHBondContact O-CB 3.45Å; A60-C64 PolarHBondContact O-N 2.98Å; Y61-C64 WeakPolarHBondContact O-CB 3.43Å; Y61-C64 PolarHBondContact O-N 3.2Å; L62-C64 VanDerWaalsContact C-N 3.3Å; L62-C64 PolarHBondContact O-N 2.98Å; C64-L66 PolarHBondContact O-N 3.25Å; C64-G67 PolarHBondContact O-N 2.95Å; C64-G67 VanDerWaalsContact O-N 3.07Å; C64-K110 PolarHBondContact SG-O 2.86Å; C64-V112 HydrophobicContact CB-CG2 3.8Å
65N98.1Very high98.1Very high75 Ų7523.4 Ų23.440%0.40113%0.129SC..Hα-helixtrans-63.7-32.3-179.1-160.373.5000112A44 E47 L48 Y61 L62 G67A44-N65 WeakPolarHBondContact CB-ND2 3.4Å; E47-N65 PolarHBondContact OE2-ND2 2.84Å; L48-N65 HydrophobicContact CD1-CB 4.04Å; L48-N65 HydrophobicContact CD2-CB 4.49Å; L48-N65 HydrophobicContact CG-CB 4.44Å; Y61-N65 WeakPolarHBondContact O-CB 3.47Å; Y61-N65 PolarHBondContact O-N 3.48Å; L62-N65 PolarHBondContact O-N 3.09Å; N65-G67 VanDerWaalsContact C-N 3.31Å
66L97.8Very high98Very high22 Ų2223.5 Ų23.512%0.11513%0.132CC..THydrogen-bonded Turntrans-89.39.6177.1-64172.3000113.3L30 V36 F41 A44 L62 M63 C64 V68L30-L66 HydrophobicContact CD1-CD1 3.5Å; L30-L66 VanDerWaalsContact CD1-CD1 3.5Å; L30-L66 HydrophobicContact CD2-CB 4.42Å; L30-L66 HydrophobicContact CD2-CD1 3.85Å; L30-L66 HydrophobicContact CG-CD1 4.34Å; V36-L66 HydrophobicContact CG1-CD2 4.38Å; F41-L66 HydrophobicContact CD2-CD1 4.36Å; A44-L66 HydrophobicContact CB-CD2 3.77Å; A44-L66 HydrophobicContact CB-CG 4.11Å; L62-L66 HydrophobicContact CD1-CD1 3.87Å; L62-L66 HydrophobicContact CD1-CG 4.36Å; L62-L66 HydrophobicContact CG-CD1 4.11Å; L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 WeakPolarHBondContact O-CG 3.43Å; L62-L66 PolarHBondContact O-N 3.35Å; L62-L66 VanDerWaalsContact O-N 3.09Å; M63-L66 PolarHBondContact O-N 3.46Å; C64-L66 PolarHBondContact O-N 3.25Å; L66-V68 VanDerWaalsContact C-N 3.26Å; L66-V68 HydrophobicContact CB-CG2 4.34Å; L66-V68 PolarHBondContact O-N 3.28Å
67G96.9Very high97.7Very high53 Ų5328 Ų2855%0.54616%0.156SC..THydrogen-bonded Turntrans70.218.9175.500000114.7M63 C64 N65M63-G67 PolarHBondContact O-N 3.44Å; C64-G67 PolarHBondContact O-N 2.95Å; C64-G67 VanDerWaalsContact O-N 3.07Å; N65-G67 VanDerWaalsContact C-N 3.31Å
68V97.6Very high97.2Very high8 Ų828.1 Ų28.15%0.04816%0.157CC..  trans-90.6124.8-179.2-176.20000110L30 V33 H34 M63 L66 H70 V223L30-V68 HydrophobicContact CD2-CG2 3.7Å; V33-V68 HydrophobicContact CG2-CG1 3.96Å; H34-V68 HydrophobicContact CB-CG2 3.82Å; M63-V68 HydrophobicContact CB-CB 4.22Å; M63-V68 PolarHBondContact O-N 3.33Å; M63-V68 HydrophobicContact SD-CB 4.26Å; M63-V68 HydrophobicContact SD-CG1 4.25Å; L66-V68 VanDerWaalsContact C-N 3.26Å; L66-V68 HydrophobicContact CB-CG2 4.34Å; L66-V68 PolarHBondContact O-N 3.28Å; V68-H70 PolarHBondContact O-N 2.94Å; V68-H70 PolarHBondContact O-ND1 2.78Å; V68-V223 HydrophobicContact CG1-CG1 3.41Å; V68-V223 VanDerWaalsContact CG1-CG1 3.41Å
69K98.3Very high96.4Very high140 Ų14028.4 Ų28.461%0.60916%0.159SC*.  trans-64.4128.1174.9-176.5177.4-179.4-1780109.6F224K69-F224 HydrophobicContact CB-CB 4.13Å; K69-F224 HydrophobicContact CB-CD2 4.48Å; K69-F224 HydrophobicContact CD-CB 4.16Å; K69-F224 HydrophobicContact CD-CD2 4.45Å; K69-F224 HydrophobicContact CD-CG 4.26Å; K69-F224 HydrophobicContact CG-CB 4.09Å; K69-F224 HydrophobicContact CG-CD2 3.88Å; K69-F224 HydrophobicContact CG-CG 4.12Å; K69-F224 WeakPolarHBondContact O-CD2 3.47Å; K69-F224 PolarHBondContact O-N 3.24Å
70H98.7Very high95.1Very high11 Ų1130.8 Ų30.85%0.05117%0.172CC..EExtended strand (participates in β ladder)trans-147.5166.8-174.163.7-80.6000111.7A60 M63 V68 V113 L221 F222A60-H70 PolarHBondContact O-NE2 2.99Å; M63-H70 HydrophobicContact CB-CB 4Å; M63-H70 HydrophobicContact CG-CB 4.43Å; V68-H70 PolarHBondContact O-N 2.94Å; V68-H70 PolarHBondContact O-ND1 2.78Å; H70-V113 PolarHBondContact NE2-N 2.79Å; H70-L221 HydrophobicContact CB-CD1 3.99Å; H70-F222 CarbonylContact C-O 3.51Å; H70-F222 WeakPolarHBondContact CA-O 3.4Å; H70-F222 WeakPolarHBondContact CB-O 3.19Å
71C98.7Very high93.5Very high12 Ų1238.2 Ų38.28%0.08120%0.204CC..EExtended strand (participates in β ladder)trans-148.8115.8169.8-178.30000108.9V113 F222 F224C71-V113 HydrophobicContact CB-CG1 4.32Å; C71-F222 HydrophobicContact CB-CB 4.36Å; C71-F222 PolarHBondContact N-O 3.36Å; C71-F222 PolarHBondContact O-N 2.04Å; C71-F224 HydrophobicContact CB-CE2 3.95Å; C71-F224 HydrophobicContact CB-CZ 4.36Å
72F98.8Very high91.8Very high0 Ų038.7 Ų38.70%022%0.216CC..EExtended strand (participates in β ladder)trans-91119175.4176.2-153.7000110T56 I57 A60 T74 F104 V113 V114 K115 D219 L221T56-F72 HydrophobicContact CG2-CD2 3.57Å; T56-F72 HydrophobicContact CG2-CE1 4.45Å; T56-F72 HydrophobicContact CG2-CE2 3.3Å; T56-F72 HydrophobicContact CG2-CG 4.3Å; T56-F72 HydrophobicContact CG2-CZ 3.8Å; I57-F72 HydrophobicContact CB-CD1 4.48Å; I57-F72 HydrophobicContact CB-CE1 4.02Å; I57-F72 HydrophobicContact CD1-CD1 3.93Å; I57-F72 HydrophobicContact CD1-CE1 4.15Å; A60-F72 HydrophobicContact CB-CB 4.09Å; A60-F72 HydrophobicContact CB-CD1 4.42Å; F72-T74 HydrophobicContact CE1-CG2 4.26Å; F72-T74 HydrophobicContact CE2-CG2 4.28Å; F72-T74 HydrophobicContact CZ-CG2 3.91Å; F72-F104 HydrophobicContact CD1-CE1 4.44Å; F72-F104 AromaticContact CE1-CE1 3.72Å; F72-F104 HydrophobicContact CE1-CE1 3.72Å; F72-F104 AromaticContact CE1-CZ 3.62Å; F72-F104 HydrophobicContact CE1-CZ 3.62Å; F72-F104 HydrophobicContact CZ-CE1 4.49Å; F72-F104 HydrophobicContact CZ-CZ 4.16Å; F72-V113 PolarHBondContact N-O 3.2Å; F72-V114 HydrophobicContact CB-CG2 4.42Å; F72-V114 HydrophobicContact CD1-CG1 3.86Å; F72-V114 HydrophobicContact CD1-CG2 4.04Å; F72-V114 HydrophobicContact CE1-CG1 4.34Å; F72-V114 HydrophobicContact CG-CG1 4.43Å; F72-V114 CarbonylContact O-C 3.55Å; F72-V114 VanDerWaalsContact O-CA 3.32Å; F72-V114 WeakPolarHBondContact O-CA 3.24Å; F72-K115 PolarHBondContact O-N 3.33Å; F72-D219 HydrophobicContact CE2-CB 3.99Å; F72-L221 HydrophobicContact CB-CD1 3.96Å
73C98.8Very high89.8Confident5 Ų538.7 Ų38.73%0.03422%0.216CC..EExtended strand (participates in β ladder)trans-107.6136.2172.2-57.10000110.5K115 V119 I220C73-K115 VanDerWaalsContact CA-O 3.32Å; C73-K115 WeakPolarHBondContact CA-O 3.46Å; C73-V119 HydrophobicContact CB-CG2 3.65Å; C73-I220 HydrophobicContact CB-CG2 3.76Å; C73-I220 PolarHBondContact N-O 2.95Å; C73-I220 PolarHBondContact O-N 2.99Å
74T98.4Very high87.6Confident2 Ų245.1 Ų45.11%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-152157.8-178.9-177.80000111.4F72 T76 L77 F104 V114 K115 K116 C117 D217 D219F72-T74 HydrophobicContact CE1-CG2 4.26Å; F72-T74 HydrophobicContact CE2-CG2 4.28Å; F72-T74 HydrophobicContact CZ-CG2 3.91Å; T74-T76 WeakPolarHBondContact CG2-O 3.12Å; T74-T76 PolarHBondContact OG1-N 3.47Å; T74-T76 VanDerWaalsContact OG1-N 3.13Å; T74-T76 PolarHBondContact OG1-O 3.49Å; T74-L77 HydrophobicContact CG2-CD2 4.05Å; T74-F104 HydrophobicContact CG2-CE1 4.15Å; T74-V114 HydrophobicContact CG2-CG1 4.38Å; T74-K115 PolarHBondContact N-O 2.97Å; T74-K116 CarbonylContact O-C 3.39Å; T74-K116 WeakPolarHBondContact O-CA 3.38Å; T74-C117 PolarHBondContact O-N 2.83Å; T74-D217 PolarHBondContact OG1-O 3.43Å; T74-D219 WeakPolarHBondContact CB-OD1 3.31Å; T74-D219 PolarHBondContact OG1-OD1 3.27Å
75Q96.5Very high85.4Confident71 Ų7149.9 Ų49.933%0.33227%0.267SS..SBendtrans-81.2-19.8167.9-67-57-66.800113K116 C117 S118 D217 E218Q75-K116 WeakPolarHBondContact O-CE 3.3Å; Q75-C117 PolarHBondContact NE2-O 3.19Å; Q75-C117 VanDerWaalsContact NE2-O 3.17Å; Q75-S118 VanDerWaalsContact NE2-CA 3.26Å; Q75-S118 PolarHBondContact NE2-OG 3Å; Q75-D217 WeakPolarHBondContact CB-O 3.46Å; Q75-D217 PolarHBondContact N-O 3.33Å; Q75-E218 HydrophobicContact CG-CB 4.03Å; Q75-E218 HydrophobicContact CG-CG 3.77Å
76T92.5Very high83.4Confident28 Ų2847.9 Ų47.917%0.17226%0.255CS..  trans-126120-170.1-59.10000110.5T74 G78 D80 D217T74-T76 WeakPolarHBondContact CG2-O 3.12Å; T74-T76 PolarHBondContact OG1-N 3.47Å; T74-T76 VanDerWaalsContact OG1-N 3.13Å; T74-T76 PolarHBondContact OG1-O 3.49Å; T76-G78 PolarHBondContact O-N 3.38Å; T76-D80 HydrophobicContact CG2-CB 4.1Å; T76-D217 WeakPolarHBondContact CB-OD1 3.46Å; T76-D217 PolarHBondContact OG1-OD1 3.13Å
77L91.3Very high81.1Confident97 Ų9750.6 Ų50.651%0.50828%0.276SS..SBendtrans-92.6100.2172.1-62.4-179.7000108.7T74 F104 V114 K116T74-L77 HydrophobicContact CG2-CD2 4.05Å; L77-F104 HydrophobicContact CB-CD1 4.38Å; L77-F104 HydrophobicContact CD2-CD1 3.98Å; L77-F104 HydrophobicContact CD2-CE1 3.99Å; L77-V114 HydrophobicContact CD2-CG1 3.87Å; L77-K116 HydrophobicContact CD1-CB 4.04Å; L77-K116 HydrophobicContact CD1-CD 4.16Å; L77-K116 HydrophobicContact CD1-CG 4.48Å; L77-K116 HydrophobicContact CD2-CB 4.11Å; L77-K116 HydrophobicContact CG-CB 3.98Å; L77-K116 HydrophobicContact CG-CD 4.08Å; L77-K116 HydrophobicContact CG-CG 4.13Å
78G88.4Confident78.8Confident3 Ų355.4 Ų55.43%0.03128%0.282CS..SBendtrans108.2-154.2-172.600000112T76 N101 F104T76-G78 PolarHBondContact O-N 3.38Å; G78-N101 WeakPolarHBondContact CA-OD1 3.37Å; G78-F104 VanDerWaalsContact CA-CD2 3.42Å; G78-F104 VanDerWaalsContact N-CE2 3.34Å
79V81.1Confident76.7Confident11 Ų1156.7 Ų56.77%0.06729%0.286CS..  trans-98.2129.8174.4179.20000110W55 K81 F83 F93 E97 V100 N101W55-V79 HydrophobicContact CH2-CB 4.35Å; W55-V79 HydrophobicContact CH2-CG1 3.97Å; W55-V79 HydrophobicContact CH2-CG2 3.65Å; W55-V79 HydrophobicContact CZ2-CG2 4.32Å; W55-V79 HydrophobicContact CZ3-CG2 3.85Å; V79-K81 PolarHBondContact O-N 2.92Å; V79-F83 HydrophobicContact CG1-CD2 4.33Å; V79-F93 HydrophobicContact CG1-CE2 3.7Å; V79-F93 HydrophobicContact CG1-CZ 3.69Å; V79-E97 HydrophobicContact CB-CB 4.42Å; V79-E97 HydrophobicContact CB-CG 4.16Å; V79-E97 HydrophobicContact CG2-CB 4.36Å; V79-E97 HydrophobicContact CG2-CG 4.47Å; V79-V100 HydrophobicContact CG2-CB 3.69Å; V79-V100 HydrophobicContact CG2-CG1 3.62Å; V79-V100 HydrophobicContact CG2-CG2 4.35Å; V79-N101 PolarHBondContact N-OD1 2.92Å
80D72.8Confident74.6Confident49 Ų4957 Ų5726%0.26229%0.287SS..  trans-67.3119.4170.2177.912000109.5T76 G82 F83 Y214T76-D80 HydrophobicContact CG2-CB 4.1Å; D80-G82 PolarHBondContact O-N 2.88Å; D80-G82 VanDerWaalsContact O-N 3.13Å; D80-G82 PolarHBondContact OD1-N 2.82Å; D80-F83 HydrophobicContact CB-CD2 3.64Å; D80-F83 HydrophobicContact CB-CE2 3.48Å; D80-F83 VanDerWaalsContact CB-CE2 3.48Å; D80-F83 HydrophobicContact CB-CG 4.37Å; D80-F83 HydrophobicContact CB-CZ 4.05Å; D80-F83 VanDerWaalsContact O-CB 3.32Å; D80-F83 WeakPolarHBondContact O-CB 3.49Å; D80-F83 VanDerWaalsContact O-CD2 3.25Å; D80-F83 WeakPolarHBondContact O-CD2 3.42Å; D80-F83 WeakPolarHBondContact O-CG 3.43Å; D80-F83 PolarHBondContact O-N 2.81Å; D80-Y214 PolarHBondContact OD2-OH 3.48Å
81K65.4Low72.5Confident156 Ų15666.2 Ų66.268%0.67833%0.328SS*.G310 helixtrans-62.7-18.3178-63.6-175.2177.6-176.50112.5V79 F83 K84V79-K81 PolarHBondContact O-N 2.92Å; K81-F83 PolarHBondContact O-N 3.26Å; K81-K84 WeakPolarHBondContact O-CB 3.36Å; K81-K84 PolarHBondContact O-N 3.12Å
82G62.2Low70.5Confident33 Ų3372.9 Ų72.934%0.3435%0.351SS..G310 helixtrans-60.7-23.8169.600000113.9D80 K84D80-G82 PolarHBondContact O-N 2.88Å; D80-G82 VanDerWaalsContact O-N 3.13Å; D80-G82 PolarHBondContact OD1-N 2.82Å; G82-K84 PolarHBondContact O-N 3.09Å
83F57.3Low68.6Low0 Ų073.7 Ų73.70%035%0.354CS..G310 helixtrans-71.1-12.8179.2-65.4-42.8000114.9V79 D80 K81 N85 Q86 Y89 F93 Y214V79-F83 HydrophobicContact CG1-CD2 4.33Å; D80-F83 HydrophobicContact CB-CD2 3.64Å; D80-F83 HydrophobicContact CB-CE2 3.48Å; D80-F83 VanDerWaalsContact CB-CE2 3.48Å; D80-F83 HydrophobicContact CB-CG 4.37Å; D80-F83 HydrophobicContact CB-CZ 4.05Å; D80-F83 VanDerWaalsContact O-CB 3.32Å; D80-F83 WeakPolarHBondContact O-CB 3.49Å; D80-F83 VanDerWaalsContact O-CD2 3.25Å; D80-F83 WeakPolarHBondContact O-CD2 3.42Å; D80-F83 WeakPolarHBondContact O-CG 3.43Å; D80-F83 PolarHBondContact O-N 2.81Å; K81-F83 PolarHBondContact O-N 3.26Å; F83-N85 PolarHBondContact O-N 3.06Å; F83-Q86 PolarHBondContact O-N 3Å; F83-Y89 HydrophobicContact CB-CD2 3.94Å; F83-Y89 HydrophobicContact CB-CE2 4.17Å; F83-Y89 HydrophobicContact CD1-CE2 4.34Å; F83-Y89 HydrophobicContact CG-CD2 4.42Å; F83-Y89 HydrophobicContact CG-CE2 4.16Å; F83-F93 HydrophobicContact CB-CE2 3.77Å; F83-F93 HydrophobicContact CB-CZ 4.12Å; F83-Y214 HydrophobicContact CD1-CE1 4.38Å; F83-Y214 HydrophobicContact CE1-CE1 4.06Å; F83-Y214 AromaticContact CE1-CZ 3.97Å
84K51.8Low66.8Low135 Ų13578.8 Ų78.859%0.58738%0.381SS*.G310 helixtrans-53.8-27.1178.4-171.5172.7-176.1169.90113.5K81 G82 F93K81-K84 WeakPolarHBondContact O-CB 3.36Å; K81-K84 PolarHBondContact O-N 3.12Å; G82-K84 PolarHBondContact O-N 3.09Å; K84-F93 HydrophobicContact CB-CD1 4.47Å; K84-F93 HydrophobicContact CB-CE1 4.03Å; K84-F93 HydrophobicContact CB-CZ 4.33Å; K84-F93 HydrophobicContact CG-CE1 4.48Å
85N51.5Low65.2Low137 Ų13784.9 Ų84.973%0.73341%0.412SS*.G310 helixtrans-89.6-12.8-177.8-69.2-29000114.5F83F83-N85 PolarHBondContact O-N 3.06Å
86Q55.8Low64.3Low32 Ų3282.8 Ų82.815%0.1540%0.402CS..SBendtrans-80.5137.1179.5-68.6-150.214.500112F83 F88 Y89F83-Q86 PolarHBondContact O-N 3Å; Q86-F88 VanDerWaalsContact C-N 3.25Å; Q86-F88 PolarHBondContact O-N 3.09Å; Q86-Y89 HydrophobicContact CB-CD2 4.23Å; Q86-Y89 PolarHBondContact O-N 3.04Å
87S51.3Low63.9Low79 Ų7983 Ų8355%0.55240%0.4SS*.THydrogen-bonded Turntrans-60.8-32-173.156.50000113.4Y89 E170S87-Y89 VanDerWaalsContact C-N 3.31Å; S87-Y89 PolarHBondContact O-N 3.16Å; S87-E170 PolarHBondContact OG-OE2 3.44Å
88F48.2Very low63.6Low155 Ų15582.7 Ų82.768%0.6840%0.399SS*.THydrogen-bonded Turntrans-60.7-34178.3-172.4-101.5000113.6Q86Q86-F88 VanDerWaalsContact C-N 3.25Å; Q86-F88 PolarHBondContact O-N 3.09Å
89Y53.5Low63.8Low35 Ų3584.4 Ų84.414%0.13741%0.405CS..THydrogen-bonded Turntrans-96.4-14.7-170.9-72.7-67000114.8W55 F83 Q86 S87 K91 R92 F93W55-Y89 HydrophobicContact CH2-CE1 4.05Å; W55-Y89 HydrophobicContact CZ2-CD1 4.46Å; W55-Y89 AromaticContact CZ2-CE1 3.74Å; W55-Y89 HydrophobicContact CZ2-CE1 3.74Å; F83-Y89 HydrophobicContact CB-CD2 3.94Å; F83-Y89 HydrophobicContact CB-CE2 4.17Å; F83-Y89 HydrophobicContact CD1-CE2 4.34Å; F83-Y89 HydrophobicContact CG-CD2 4.42Å; F83-Y89 HydrophobicContact CG-CE2 4.16Å; Q86-Y89 HydrophobicContact CB-CD2 4.23Å; Q86-Y89 PolarHBondContact O-N 3.04Å; S87-Y89 VanDerWaalsContact C-N 3.31Å; S87-Y89 PolarHBondContact O-N 3.16Å; Y89-K91 VanDerWaalsContact C-N 3.33Å; Y89-K91 PolarHBondContact O-N 3.44Å; Y89-R92 PolarHBondContact O-N 3.42Å; Y89-F93 HydrophobicContact CD1-CD2 4.37Å; Y89-F93 HydrophobicContact CG-CD2 4.21Å; Y89-F93 HydrophobicContact CG-CE2 4.4Å; Y89-F93 WeakPolarHBondContact O-CB 3.44Å; Y89-F93 PolarHBondContact O-N 2.9Å
90K54.5Low64.3Low145 Ų14583.9 Ų83.963%0.6340%0.402SS*.THydrogen-bonded Turntrans-60.1-20.4-164-96.2-179.5177.3172.90118.3
91K54.2Low65.2Low206 Ų20684.1 Ų84.190%0.89640%0.403SS*.THydrogen-bonded Turntrans-99.5-15.3-173.4-74.5-175.4179.1178.80115.1Y89Y89-K91 VanDerWaalsContact C-N 3.33Å; Y89-K91 PolarHBondContact O-N 3.44Å
92R55.8Low66.6Low152 Ų15282.7 Ų82.757%0.57439%0.393SS*.THydrogen-bonded Turntrans-137.910.2-177.3-69-174.3179.3171.70.8114Y89 D94 M95 E96Y89-R92 PolarHBondContact O-N 3.42Å; R92-D94 PolarHBondContact O-N 3.31Å; R92-M95 PolarHBondContact O-N 2.87Å; R92-E96 HydrophobicContact CB-CG 4.31Å; R92-E96 PolarHBondContact O-N 3.26Å; R92-E96 VanDerWaalsContact O-N 3.13Å
93F60.3Low68.2Low16 Ų1682.8 Ų82.87%0.0739%0.386CS..Hα-helixtrans-52.7-49.8-170.5-165-110.8000113.3V79 F83 K84 Y89 M95 E96 E97V79-F93 HydrophobicContact CG1-CE2 3.7Å; V79-F93 HydrophobicContact CG1-CZ 3.69Å; F83-F93 HydrophobicContact CB-CE2 3.77Å; F83-F93 HydrophobicContact CB-CZ 4.12Å; K84-F93 HydrophobicContact CB-CD1 4.47Å; K84-F93 HydrophobicContact CB-CE1 4.03Å; K84-F93 HydrophobicContact CB-CZ 4.33Å; K84-F93 HydrophobicContact CG-CE1 4.48Å; Y89-F93 HydrophobicContact CD1-CD2 4.37Å; Y89-F93 HydrophobicContact CG-CD2 4.21Å; Y89-F93 HydrophobicContact CG-CE2 4.4Å; Y89-F93 WeakPolarHBondContact O-CB 3.44Å; Y89-F93 PolarHBondContact O-N 2.9Å; F93-M95 PolarHBondContact O-N 2.84Å; F93-E96 PolarHBondContact O-N 3.4Å; F93-E97 VanDerWaalsContact CE1-OE2 3.31Å; F93-E97 WeakPolarHBondContact CE1-OE2 3.39Å; F93-E97 WeakPolarHBondContact O-CB 3.33Å; F93-E97 PolarHBondContact O-N 2.91Å
94D59.8Low70.1Confident112 Ų11284.3 Ų84.360%0.59939%0.393SS*.Hα-helixtrans-66.3-36-172.5-56.5-19.1000112.6R92 D98R92-D94 PolarHBondContact O-N 3.31Å; D94-D98 WeakPolarHBondContact O-CB 3.46Å; D94-D98 PolarHBondContact O-N 3.24Å
95M65.6Low72.2Confident131 Ų13184.9 Ų84.965%0.64540%0.401SS*.Hα-helixtrans-76.1-38177.9-68-169.4-61.600112.6R92 F93 R99R92-M95 PolarHBondContact O-N 2.87Å; F93-M95 PolarHBondContact O-N 2.84Å; M95-R99 WeakPolarHBondContact O-CB 3.28Å; M95-R99 PolarHBondContact O-N 3.21Å; M95-R99 VanDerWaalsContact O-N 3.15Å
96E77.6Confident74.3Confident26 Ų2683.7 Ų83.712%0.12139%0.39CS..Hα-helixtrans-72.7-37.1176.4-68.5-59.3125.800111.5S53 R92 F93 R99 V100S53-E96 WeakPolarHBondContact CB-OE2 3.09Å; R92-E96 HydrophobicContact CB-CG 4.31Å; R92-E96 PolarHBondContact O-N 3.26Å; R92-E96 VanDerWaalsContact O-N 3.13Å; F93-E96 PolarHBondContact O-N 3.4Å; E96-R99 PolarHBondContact O-N 2.76Å; E96-R99 IonicContact OE1-NE 3.11Å; E96-R99 IonicContact OE2-CZ 2.81Å; E96-R99 VanDerWaalsContact OE2-CZ 3.28Å; E96-R99 IonicContact OE2-NE 3.52Å; E96-R99 PolarHBondContact OE2-NE 3.31Å; E96-R99 IonicContact OE2-NH2 3.79Å; E96-R99 PolarHBondContact OE2-NH2 2.79Å; E96-V100 WeakPolarHBondContact O-CB 3.36Å; E96-V100 VanDerWaalsContact O-CG2 3.25Å; E96-V100 WeakPolarHBondContact O-CG2 3.48Å; E96-V100 PolarHBondContact O-N 2.81Å
97E82.6Confident76.3Confident32 Ų3282.3 Ų82.315%0.1538%0.384CS..Hα-helixtrans-57-52.9174.1175.7172.5-171.700110.6V79 F93 R99 V100 N101V79-E97 HydrophobicContact CB-CB 4.42Å; V79-E97 HydrophobicContact CB-CG 4.16Å; V79-E97 HydrophobicContact CG2-CB 4.36Å; V79-E97 HydrophobicContact CG2-CG 4.47Å; F93-E97 VanDerWaalsContact CE1-OE2 3.31Å; F93-E97 WeakPolarHBondContact CE1-OE2 3.39Å; F93-E97 WeakPolarHBondContact O-CB 3.33Å; F93-E97 PolarHBondContact O-N 2.91Å; E97-R99 VanDerWaalsContact C-N 3.33Å; E97-R99 PolarHBondContact O-N 3.03Å; E97-V100 PolarHBondContact O-N 2.85Å; E97-N101 VanDerWaalsContact CG-ND2 3.27Å; E97-N101 WeakPolarHBondContact CG-ND2 3.41Å; E97-N101 WeakPolarHBondContact O-CB 3.38Å; E97-N101 PolarHBondContact O-N 2.68Å; E97-N101 PolarHBondContact O-ND2 2.98Å; E97-N101 VanDerWaalsContact O-ND2 3.13Å
98D85.9Confident78.5Confident91 Ų9187.1 Ų87.149%0.48740%0.398SS..Hα-helixtrans-58.8-42.8177.3-95.84000112.7D94 R102D94-D98 WeakPolarHBondContact O-CB 3.46Å; D94-D98 PolarHBondContact O-N 3.24Å; D98-R102 WeakPolarHBondContact O-CB 3.08Å; D98-R102 VanDerWaalsContact O-CG 3.26Å; D98-R102 WeakPolarHBondContact O-CG 3.34Å; D98-R102 PolarHBondContact O-N 3.47Å; D98-R102 VanDerWaalsContact O-N 3.11Å; D98-R102 PolarHBondContact O-NE 3.45Å; D98-R102 IonicContact OD2-NH1 2.76Å
99R91.8Very high80.8Confident40 Ų4084.4 Ų84.415%0.15140%0.398CS..Hα-helixtrans-64.5-52.8179.2-175.9-174.170.377.4-2111.2S53 D58 M95 E96 E97 R102 L103S53-R99 PolarHBondContact O-NH2 2.83Å; D58-R99 IonicContact OD1-CZ 3.85Å; D58-R99 IonicContact OD1-NH1 3.61Å; D58-R99 PolarHBondContact OD1-NH1 3.17Å; D58-R99 IonicContact OD2-CZ 2.94Å; D58-R99 IonicContact OD2-NH1 2.79Å; D58-R99 PolarHBondContact OD2-NH1 2.7Å; D58-R99 IonicContact OD2-NH2 3.76Å; D58-R99 PolarHBondContact OD2-NH2 2.72Å; M95-R99 WeakPolarHBondContact O-CB 3.28Å; M95-R99 PolarHBondContact O-N 3.21Å; M95-R99 VanDerWaalsContact O-N 3.15Å; E96-R99 PolarHBondContact O-N 2.76Å; E96-R99 IonicContact OE1-NE 3.11Å; E96-R99 IonicContact OE2-CZ 2.81Å; E96-R99 VanDerWaalsContact OE2-CZ 3.28Å; E96-R99 IonicContact OE2-NE 3.52Å; E96-R99 PolarHBondContact OE2-NE 3.31Å; E96-R99 IonicContact OE2-NH2 3.79Å; E96-R99 PolarHBondContact OE2-NH2 2.79Å; E97-R99 VanDerWaalsContact C-N 3.33Å; E97-R99 PolarHBondContact O-N 3.03Å; R99-R102 WeakPolarHBondContact O-CB 3.48Å; R99-R102 PolarHBondContact O-N 2.97Å; R99-L103 PolarHBondContact O-N 2.87Å
100V92.8Very high82.9Confident0 Ų089.2 Ų89.20%042%0.42CS..Hα-helixtrans-64.4-45.2-177.7170.60000110.6W55 I57 V79 E96 E97 R102 L103 F104W55-V100 HydrophobicContact CD2-CG1 4.38Å; W55-V100 HydrophobicContact CD2-CG2 3.68Å; W55-V100 HydrophobicContact CE3-CG1 4.01Å; W55-V100 HydrophobicContact CE3-CG2 4.14Å; W55-V100 HydrophobicContact CG-CG2 3.84Å; W55-V100 HydrophobicContact CZ2-CG2 4.36Å; W55-V100 HydrophobicContact CZ3-CG1 4.33Å; I57-V100 HydrophobicContact CG2-CG1 4.23Å; V79-V100 HydrophobicContact CG2-CB 3.69Å; V79-V100 HydrophobicContact CG2-CG1 3.62Å; V79-V100 HydrophobicContact CG2-CG2 4.35Å; E96-V100 WeakPolarHBondContact O-CB 3.36Å; E96-V100 VanDerWaalsContact O-CG2 3.25Å; E96-V100 WeakPolarHBondContact O-CG2 3.48Å; E96-V100 PolarHBondContact O-N 2.81Å; E97-V100 PolarHBondContact O-N 2.85Å; V100-R102 VanDerWaalsContact C-N 3.28Å; V100-R102 PolarHBondContact O-N 3.38Å; V100-L103 WeakPolarHBondContact O-CB 3.4Å; V100-L103 PolarHBondContact O-N 3.47Å; V100-F104 HydrophobicContact CG1-CD2 3.77Å; V100-F104 HydrophobicContact CG1-CE2 3.66Å; V100-F104 WeakPolarHBondContact O-CD2 3.46Å; V100-F104 PolarHBondContact O-N 3.4Å
101N91.9Very high85Confident53 Ų5384.6 Ų84.628%0.28341%0.413SS..Hα-helixtrans-58.9-39.8176.2-73.1-25.9000111.8G78 V79 E97 F104 L105G78-N101 WeakPolarHBondContact CA-OD1 3.37Å; V79-N101 PolarHBondContact N-OD1 2.92Å; E97-N101 VanDerWaalsContact CG-ND2 3.27Å; E97-N101 WeakPolarHBondContact CG-ND2 3.41Å; E97-N101 WeakPolarHBondContact O-CB 3.38Å; E97-N101 PolarHBondContact O-N 2.68Å; E97-N101 PolarHBondContact O-ND2 2.98Å; E97-N101 VanDerWaalsContact O-ND2 3.13Å; N101-F104 PolarHBondContact O-N 3.04Å; N101-L105 WeakPolarHBondContact O-CB 3.32Å; N101-L105 PolarHBondContact O-N 3.32Å
102R93.8Very high87.1Confident126 Ų12675 Ų7548%0.47537%0.372SS..Hα-helixtrans-64.6-37174-77.9-173.1-63.2-97.11.6112.9D98 R99 V100 L105 K106D98-R102 WeakPolarHBondContact O-CB 3.08Å; D98-R102 VanDerWaalsContact O-CG 3.26Å; D98-R102 WeakPolarHBondContact O-CG 3.34Å; D98-R102 PolarHBondContact O-N 3.47Å; D98-R102 VanDerWaalsContact O-N 3.11Å; D98-R102 PolarHBondContact O-NE 3.45Å; D98-R102 IonicContact OD2-NH1 2.76Å; R99-R102 WeakPolarHBondContact O-CB 3.48Å; R99-R102 PolarHBondContact O-N 2.97Å; V100-R102 VanDerWaalsContact C-N 3.28Å; V100-R102 PolarHBondContact O-N 3.38Å; R102-L105 PolarHBondContact O-N 2.92Å; R102-K106 WeakPolarHBondContact O-CB 3.32Å; R102-K106 WeakPolarHBondContact O-CG 3.14Å; R102-K106 PolarHBondContact O-N 3.16Å; R102-K106 VanDerWaalsContact O-N 3.09Å
103L96.6Very high89.1Confident36 Ų3670.8 Ų70.819%0.18836%0.363CS..Hα-helixtrans-64.8-45.9176.7-71.7171.8000111.3I57 D58 Y61 R99 V100 K106 A107I57-L103 HydrophobicContact CG1-CB 3.89Å; I57-L103 HydrophobicContact CG2-CB 4.27Å; I57-L103 HydrophobicContact CG2-CD1 4.03Å; D58-L103 WeakPolarHBondContact OD1-CD1 3.44Å; Y61-L103 HydrophobicContact CD1-CD2 4.45Å; Y61-L103 HydrophobicContact CD2-CD2 4.09Å; Y61-L103 HydrophobicContact CE1-CD2 4.17Å; Y61-L103 HydrophobicContact CE2-CB 3.87Å; Y61-L103 HydrophobicContact CE2-CD2 3.8Å; Y61-L103 HydrophobicContact CE2-CG 4.4Å; Y61-L103 WeakPolarHBondContact CE2-O 3.38Å; Y61-L103 HydrophobicContact CG-CD2 4.4Å; Y61-L103 PolarHBondContact OH-O 3.01Å; R99-L103 PolarHBondContact O-N 2.87Å; V100-L103 WeakPolarHBondContact O-CB 3.4Å; V100-L103 PolarHBondContact O-N 3.47Å; L103-K106 PolarHBondContact O-N 3.3Å; L103-A107 PolarHBondContact O-N 2.95Å
104F97.2Very high90.9Very high31 Ų3171.8 Ų71.814%0.13637%0.37CS..Hα-helixtrans-61.2-45.4174.4-83.5-81.9000111.9I57 F72 T74 L77 G78 V100 N101 K106 A107 V114I57-F104 HydrophobicContact CB-CD2 4.41Å; I57-F104 HydrophobicContact CB-CE2 3.98Å; I57-F104 HydrophobicContact CB-CZ 4.15Å; I57-F104 HydrophobicContact CD1-CD1 4.27Å; I57-F104 HydrophobicContact CD1-CE1 4.3Å; I57-F104 HydrophobicContact CG1-CD2 4.27Å; I57-F104 HydrophobicContact CG1-CE2 4.31Å; I57-F104 HydrophobicContact CG1-CG 4.44Å; I57-F104 HydrophobicContact CG2-CD2 4.42Å; I57-F104 HydrophobicContact CG2-CE2 4.06Å; F72-F104 HydrophobicContact CD1-CE1 4.44Å; F72-F104 AromaticContact CE1-CE1 3.72Å; F72-F104 HydrophobicContact CE1-CE1 3.72Å; F72-F104 AromaticContact CE1-CZ 3.62Å; F72-F104 HydrophobicContact CE1-CZ 3.62Å; F72-F104 HydrophobicContact CZ-CE1 4.49Å; F72-F104 HydrophobicContact CZ-CZ 4.16Å; T74-F104 HydrophobicContact CG2-CE1 4.15Å; L77-F104 HydrophobicContact CB-CD1 4.38Å; L77-F104 HydrophobicContact CD2-CD1 3.98Å; L77-F104 HydrophobicContact CD2-CE1 3.99Å; G78-F104 VanDerWaalsContact CA-CD2 3.42Å; G78-F104 VanDerWaalsContact N-CE2 3.34Å; V100-F104 HydrophobicContact CG1-CD2 3.77Å; V100-F104 HydrophobicContact CG1-CE2 3.66Å; V100-F104 WeakPolarHBondContact O-CD2 3.46Å; V100-F104 PolarHBondContact O-N 3.4Å; N101-F104 PolarHBondContact O-N 3.04Å; F104-K106 VanDerWaalsContact C-N 3.25Å; F104-K106 PolarHBondContact O-N 3.19Å; F104-A107 WeakPolarHBondContact O-CB 3.43Å; F104-A107 PolarHBondContact O-N 3.43Å; F104-V114 HydrophobicContact CD1-CG1 4.13Å; F104-V114 HydrophobicContact CE1-CG1 3.86Å
105L95.4Very high92.7Very high147 Ų14772 Ų7277%0.7737%0.366SS*.Hα-helixtrans-59.6-35.3179.2-176.766.5000112.8N101 R102N101-L105 WeakPolarHBondContact O-CB 3.32Å; N101-L105 PolarHBondContact O-N 3.32Å; R102-L105 PolarHBondContact O-N 2.92Å
106K96.9Very high94.3Very high112 Ų11272.6 Ų72.649%0.48736%0.364SS..Hα-helixtrans-93.9-8.3-177.5-68.4-177.8178.9-178.30114.1R102 L103 F104 E108 S109 K110R102-K106 WeakPolarHBondContact O-CB 3.32Å; R102-K106 WeakPolarHBondContact O-CG 3.14Å; R102-K106 PolarHBondContact O-N 3.16Å; R102-K106 VanDerWaalsContact O-N 3.09Å; L103-K106 PolarHBondContact O-N 3.3Å; F104-K106 VanDerWaalsContact C-N 3.25Å; F104-K106 PolarHBondContact O-N 3.19Å; K106-E108 PolarHBondContact O-N 2.88Å; K106-S109 PolarHBondContact O-N 3.47Å; K106-S109 VanDerWaalsContact O-N 3.16Å; K106-S109 PolarHBondContact O-OG 3.04Å; K106-K110 HydrophobicContact CB-CG 4.41Å; K106-K110 WeakPolarHBondContact O-CG 3.44Å; K106-K110 PolarHBondContact O-N 2.91Å; K106-K110 VanDerWaalsContact O-N 3.09Å
107A97.7Very high95.3Very high4 Ų473.6 Ų73.63%0.03337%0.374CS..THydrogen-bonded Turntrans-52.1-52.9-169.200000112.5I57 Y61 L103 F104 S109 K110 G111 V112 V114I57-A107 HydrophobicContact CD1-CB 4.49Å; Y61-A107 HydrophobicContact CE2-CB 4.43Å; Y61-A107 WeakPolarHBondContact OH-CA 3.25Å; Y61-A107 PolarHBondContact OH-N 3.49Å; L103-A107 PolarHBondContact O-N 2.95Å; F104-A107 WeakPolarHBondContact O-CB 3.43Å; F104-A107 PolarHBondContact O-N 3.43Å; A107-S109 PolarHBondContact O-N 3.04Å; A107-K110 CarbonylContact O-C 3.48Å; A107-K110 WeakPolarHBondContact O-CA 3.31Å; A107-K110 PolarHBondContact O-N 3.44Å; A107-G111 PolarHBondContact O-N 3.25Å; A107-G111 VanDerWaalsContact O-N 3.12Å; A107-V112 CarbonylContact C-O 3.57Å; A107-V112 HydrophobicContact CB-CB 4.01Å; A107-V112 HydrophobicContact CB-CG1 4.35Å; A107-V112 PolarHBondContact O-N 2.78Å; A107-V114 HydrophobicContact CB-CG2 3.86Å
108E95.7Very high96Very high179 Ų17974.8 Ų74.884%0.83639%0.386SS*.G310 helixtrans-59.2-48.3-179.7-177.1176.4-145.200112.1K106 K110 G111K106-E108 PolarHBondContact O-N 2.88Å; E108-K110 PolarHBondContact O-N 3.26Å; E108-K110 VanDerWaalsContact O-N 3.09Å; E108-G111 PolarHBondContact O-N 3.39Å
109S97.4Very high96.6Very high98 Ų9870.8 Ų70.869%0.68536%0.364SS*.G310 helixtrans-63.3-18178.273.70000114K106 A107K106-S109 PolarHBondContact O-N 3.47Å; K106-S109 VanDerWaalsContact O-N 3.16Å; K106-S109 PolarHBondContact O-OG 3.04Å; A107-S109 PolarHBondContact O-N 3.04Å
110K97.5Very high96.9Very high137 Ų13772 Ų7260%0.59638%0.376SS*.G310 helixtrans-101.62.6178.2-68.6-68.1-173.8177.10113Y61 C64 K106 A107 E108 V112Y61-K110 HydrophobicContact CE1-CB 3.87Å; Y61-K110 HydrophobicContact CE1-CG 4.04Å; C64-K110 PolarHBondContact SG-O 2.86Å; K106-K110 HydrophobicContact CB-CG 4.41Å; K106-K110 WeakPolarHBondContact O-CG 3.44Å; K106-K110 PolarHBondContact O-N 2.91Å; K106-K110 VanDerWaalsContact O-N 3.09Å; A107-K110 CarbonylContact O-C 3.48Å; A107-K110 WeakPolarHBondContact O-CA 3.31Å; A107-K110 PolarHBondContact O-N 3.44Å; E108-K110 PolarHBondContact O-N 3.26Å; E108-K110 VanDerWaalsContact O-N 3.09Å; K110-V112 VanDerWaalsContact C-N 3.28Å; K110-V112 HydrophobicContact CB-CG2 4.36Å; K110-V112 PolarHBondContact O-N 2.91Å
111G97.8Very high97.2Very high47 Ų4772.8 Ų72.849%0.48538%0.381SS..THydrogen-bonded Turntrans77.39.6-179.400000114.5A107 E108 V113A107-G111 PolarHBondContact O-N 3.25Å; A107-G111 VanDerWaalsContact O-N 3.12Å; E108-G111 PolarHBondContact O-N 3.39Å; G111-V113 PolarHBondContact O-N 2.99Å
112V98.5Very high97.5Very high5 Ų576.1 Ų76.13%0.0339%0.394CS..  trans-81.1118.5177.1-178.10000108.8I57 A60 Y61 C64 A107 K110 V114I57-V112 HydrophobicContact CD1-CG1 4.22Å; A60-V112 HydrophobicContact CB-CG1 3.66Å; Y61-V112 HydrophobicContact CD1-CG2 3.73Å; Y61-V112 HydrophobicContact CD2-CB 4.41Å; Y61-V112 HydrophobicContact CD2-CG1 4.12Å; Y61-V112 HydrophobicContact CD2-CG2 3.79Å; Y61-V112 HydrophobicContact CE1-CG2 3.83Å; Y61-V112 HydrophobicContact CE2-CB 4.28Å; Y61-V112 HydrophobicContact CE2-CG1 4.27Å; Y61-V112 HydrophobicContact CE2-CG2 3.88Å; Y61-V112 HydrophobicContact CG-CG2 3.73Å; C64-V112 HydrophobicContact CB-CG2 3.8Å; A107-V112 CarbonylContact C-O 3.57Å; A107-V112 HydrophobicContact CB-CB 4.01Å; A107-V112 HydrophobicContact CB-CG1 4.35Å; A107-V112 PolarHBondContact O-N 2.78Å; K110-V112 VanDerWaalsContact C-N 3.28Å; K110-V112 HydrophobicContact CB-CG2 4.36Å; K110-V112 PolarHBondContact O-N 2.91Å; V112-V114 HydrophobicContact CG1-CG2 4.03Å; V112-V114 PolarHBondContact O-N 2.06Å
113V98.3Very high97.7Very high64 Ų6474.8 Ų74.839%0.38839%0.393SS..  trans-86.6110.5-175-178.50000109.9H70 C71 F72 G111H70-V113 PolarHBondContact NE2-N 2.79Å; C71-V113 HydrophobicContact CB-CG1 4.32Å; F72-V113 PolarHBondContact N-O 3.2Å; G111-V113 PolarHBondContact O-N 2.99Å
114V98.5Very high97.8Very high37 Ų3773 Ų7322%0.22438%0.384CS..EExtended strand (participates in β ladder)trans-123.1136179-171.80000110.1I57 F72 T74 L77 F104 A107 V112I57-V114 HydrophobicContact CD1-CG2 3.69Å; F72-V114 HydrophobicContact CB-CG2 4.42Å; F72-V114 HydrophobicContact CD1-CG1 3.86Å; F72-V114 HydrophobicContact CD1-CG2 4.04Å; F72-V114 HydrophobicContact CE1-CG1 4.34Å; F72-V114 HydrophobicContact CG-CG1 4.43Å; F72-V114 CarbonylContact O-C 3.55Å; F72-V114 VanDerWaalsContact O-CA 3.32Å; F72-V114 WeakPolarHBondContact O-CA 3.24Å; T74-V114 HydrophobicContact CG2-CG1 4.38Å; L77-V114 HydrophobicContact CD2-CG1 3.87Å; F104-V114 HydrophobicContact CD1-CG1 4.13Å; F104-V114 HydrophobicContact CE1-CG1 3.86Å; A107-V114 HydrophobicContact CB-CG2 3.86Å; V112-V114 HydrophobicContact CG1-CG2 4.03Å; V112-V114 PolarHBondContact O-N 2.06Å
115K98.3Very high97.8Very high117 Ų11772.5 Ų72.551%0.50938%0.382SS..EExtended strand (participates in β ladder)trans-128.8131.3176.7-65.8-174-178.5178.10110.5F72 C73 T74 C117F72-K115 PolarHBondContact O-N 3.33Å; C73-K115 VanDerWaalsContact CA-O 3.32Å; C73-K115 WeakPolarHBondContact CA-O 3.46Å; T74-K115 PolarHBondContact N-O 2.97Å; K115-C117 PolarHBondContact O-N 3.48Å
116K98Very high98Very high142 Ų14268 Ų6862%0.61736%0.363SS*.EExtended strand (participates in β ladder)trans-85.792.7170.8-165.7-173.7-174.9-178.20109.6T74 Q75 L77T74-K116 CarbonylContact O-C 3.39Å; T74-K116 WeakPolarHBondContact O-CA 3.38Å; Q75-K116 WeakPolarHBondContact O-CE 3.3Å; L77-K116 HydrophobicContact CD1-CB 4.04Å; L77-K116 HydrophobicContact CD1-CD 4.16Å; L77-K116 HydrophobicContact CD1-CG 4.48Å; L77-K116 HydrophobicContact CD2-CB 4.11Å; L77-K116 HydrophobicContact CG-CB 3.98Å; L77-K116 HydrophobicContact CG-CD 4.08Å; L77-K116 HydrophobicContact CG-CG 4.13Å
117C98Very high98Very high48 Ų4863.3 Ų63.332%0.32434%0.343SS..  trans-160.8156.3-178.762.60000112.2T74 Q75 K115T74-C117 PolarHBondContact O-N 2.83Å; Q75-C117 PolarHBondContact NE2-O 3.19Å; Q75-C117 VanDerWaalsContact NE2-O 3.17Å; K115-C117 PolarHBondContact O-N 3.48Å
118S97.9Very high98Very high56 Ų5663.1 Ų63.139%0.39234%0.341SS..  trans-79.8154.2164.6-73.60000109.4Q75 E218Q75-S118 VanDerWaalsContact NE2-CA 3.26Å; Q75-S118 PolarHBondContact NE2-OG 3Å; S118-E218 VanDerWaalsContact CB-OE2 3.25Å; S118-E218 WeakPolarHBondContact CB-OE2 3.35Å; S118-E218 PolarHBondContact OG-OE2 3.45Å
119V98.4Very high98.1Very high7 Ų758.8 Ų58.84%0.04232%0.321CS..  trans-120.7135.9175.7174.90000108.1C73 E123 I124 R211 I220 F222C73-V119 HydrophobicContact CB-CG2 3.65Å; V119-E123 HydrophobicContact CG1-CB 3.98Å; V119-I124 HydrophobicContact CG1-CD1 4.2Å; V119-I124 HydrophobicContact CG1-CG1 3.68Å; V119-R211 PolarHBondContact O-NH2 2.85Å; V119-I220 HydrophobicContact CB-CG2 4.14Å; V119-I220 HydrophobicContact CG2-CG2 3.69Å; V119-F222 HydrophobicContact CG1-CE2 3.88Å; V119-F222 HydrophobicContact CG1-CZ 3.58Å; V119-F222 HydrophobicContact CG2-CE2 3.95Å; V119-F222 HydrophobicContact CG2-CZ 4.49Å
120T98.5Very high98.1Very high65 Ų6560 Ų6040%0.39932%0.316SS..  trans-88158.5176.662.90000111.3Q122 E123 I124T120-Q122 PolarHBondContact O-N 3.25Å; T120-E123 WeakPolarHBondContact CB-OE2 3.35Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.43Å; T120-E123 PolarHBondContact N-OE2 3.44Å; T120-E123 PolarHBondContact O-N 3.21Å; T120-E123 VanDerWaalsContact OG1-CG 3.31Å; T120-E123 WeakPolarHBondContact OG1-CG 3.29Å; T120-E123 PolarHBondContact OG1-N 2.95Å; T120-E123 PolarHBondContact OG1-OE2 3.22Å; T120-I124 WeakPolarHBondContact O-CG1 3.46Å; T120-I124 PolarHBondContact O-N 3.05Å; T120-I124 VanDerWaalsContact O-N 3.15Å
121I98.1Very high98.1Very high18 Ų1854.3 Ų54.39%0.09230%0.296CS..Hα-helixtrans-61.4-31.9174.6-16464.2000112I124 Q125 I188 V204 F207I121-I124 HydrophobicContact CD1-CD1 4.34Å; I121-I124 PolarHBondContact O-N 2.7Å; I121-Q125 HydrophobicContact CG1-CG 4.48Å; I121-Q125 WeakPolarHBondContact O-CB 3.42Å; I121-Q125 VanDerWaalsContact O-CG 3.27Å; I121-Q125 WeakPolarHBondContact O-CG 3.48Å; I121-Q125 PolarHBondContact O-N 3.05Å; I121-I188 HydrophobicContact CD1-CD1 3.72Å; I121-I188 HydrophobicContact CD1-CG1 4.18Å; I121-I188 HydrophobicContact CG1-CD1 4.46Å; I121-V204 HydrophobicContact CB-CG1 4.33Å; I121-V204 HydrophobicContact CD1-CG1 4.25Å; I121-V204 HydrophobicContact CD1-CG2 4.5Å; I121-V204 HydrophobicContact CG1-CG1 3.76Å; I121-V204 HydrophobicContact CG1-CG2 4.18Å; I121-V204 HydrophobicContact CG2-CG1 4.37Å; I121-F207 HydrophobicContact CD1-CD1 3.9Å; I121-F207 HydrophobicContact CD1-CE1 3.96Å
122Q98.1Very high98.1Very high122 Ų12253 Ų5357%0.5728%0.277SS*.Hα-helixtrans-65.4-40177.2-68.374.918.900111.6T120 Q125 S126T120-Q122 PolarHBondContact O-N 3.25Å; Q122-Q125 PolarHBondContact O-N 3.33Å; Q122-S126 WeakPolarHBondContact O-CB 3.49Å; Q122-S126 PolarHBondContact O-N 2.85Å
123E98.6Very high98.1Very high98 Ų9852.7 Ų52.746%0.45828%0.275SS..Hα-helixtrans-65.1-40.9173.9-72.5164.7114.500111.5V119 T120 S126 H127V119-E123 HydrophobicContact CG1-CB 3.98Å; T120-E123 WeakPolarHBondContact CB-OE2 3.35Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.43Å; T120-E123 PolarHBondContact N-OE2 3.44Å; T120-E123 PolarHBondContact O-N 3.21Å; T120-E123 VanDerWaalsContact OG1-CG 3.31Å; T120-E123 WeakPolarHBondContact OG1-CG 3.29Å; T120-E123 PolarHBondContact OG1-N 2.95Å; T120-E123 PolarHBondContact OG1-OE2 3.22Å; E123-S126 PolarHBondContact O-N 2.73Å; E123-H127 WeakPolarHBondContact O-CB 3.44Å; E123-H127 PolarHBondContact O-N 3.09Å
124I98.7Very high98.1Very high0 Ų049.7 Ų49.70%026%0.257CS..Hα-helixtrans-62-47.2174.9-62.6172.2000110.5V119 T120 I121 H127 L128 V178 F207 I220 F222V119-I124 HydrophobicContact CG1-CD1 4.2Å; V119-I124 HydrophobicContact CG1-CG1 3.68Å; T120-I124 WeakPolarHBondContact O-CG1 3.46Å; T120-I124 PolarHBondContact O-N 3.05Å; T120-I124 VanDerWaalsContact O-N 3.15Å; I121-I124 HydrophobicContact CD1-CD1 4.34Å; I121-I124 PolarHBondContact O-N 2.7Å; I124-H127 WeakPolarHBondContact O-CB 3.23Å; I124-H127 PolarHBondContact O-N 3.27Å; I124-L128 HydrophobicContact CG2-CD1 3.96Å; I124-L128 VanDerWaalsContact O-CG 3.28Å; I124-L128 WeakPolarHBondContact O-CG 3.04Å; I124-L128 PolarHBondContact O-N 2.99Å; I124-V178 HydrophobicContact CG2-CG1 4.28Å; I124-F207 HydrophobicContact CD1-CE1 3.88Å; I124-F207 HydrophobicContact CD1-CZ 4.34Å; I124-I220 HydrophobicContact CD1-CD1 3.83Å; I124-I220 HydrophobicContact CG1-CD1 3.77Å; I124-F222 HydrophobicContact CG1-CE1 4.31Å; I124-F222 HydrophobicContact CG1-CZ 4.13Å
125Q98.3Very high98.2Very high20 Ų2047.9 Ų47.99%0.09325%0.246CC..Hα-helixtrans-61.2-46.7177.7-72.9175.7-19.700111.5I121 Q122 H127 L128 E129 F181I121-Q125 HydrophobicContact CG1-CG 4.48Å; I121-Q125 WeakPolarHBondContact O-CB 3.42Å; I121-Q125 VanDerWaalsContact O-CG 3.27Å; I121-Q125 WeakPolarHBondContact O-CG 3.48Å; I121-Q125 PolarHBondContact O-N 3.05Å; Q122-Q125 PolarHBondContact O-N 3.33Å; Q125-H127 VanDerWaalsContact C-N 3.27Å; Q125-H127 PolarHBondContact O-N 3.34Å; Q125-L128 PolarHBondContact O-N 3.23Å; Q125-L128 VanDerWaalsContact O-N 3.1Å; Q125-E129 WeakPolarHBondContact O-CG 3.07Å; Q125-E129 PolarHBondContact O-N 3.27Å; Q125-F181 HydrophobicContact CB-CD1 4.05Å; Q125-F181 HydrophobicContact CB-CE1 3.88Å; Q125-F181 HydrophobicContact CB-CG 4.45Å; Q125-F181 HydrophobicContact CB-CZ 4.16Å; Q125-F181 HydrophobicContact CG-CB 4.28Å; Q125-F181 HydrophobicContact CG-CD1 3.81Å; Q125-F181 HydrophobicContact CG-CD2 4.11Å; Q125-F181 HydrophobicContact CG-CE1 4.12Å; Q125-F181 HydrophobicContact CG-CE2 4.43Å; Q125-F181 HydrophobicContact CG-CG 3.79Å; Q125-F181 HydrophobicContact CG-CZ 4.42Å; Q125-F181 WeakPolarHBondContact O-CE1 3.45Å
126S97.9Very high98.2Very high52 Ų5242.4 Ų42.436%0.36422%0.222SC..Hα-helixtrans-61-35.6178.1-175.20000112.6Q122 E123 E129 Q130Q122-S126 WeakPolarHBondContact O-CB 3.49Å; Q122-S126 PolarHBondContact O-N 2.85Å; E123-S126 PolarHBondContact O-N 2.73Å; S126-E129 WeakPolarHBondContact CA-OE2 3.44Å; S126-Q130 WeakPolarHBondContact O-CG 3.46Å; S126-Q130 PolarHBondContact O-N 2.74Å; S126-Q130 PolarHBondContact O-NE2 2.9Å
127H98.3Very high98.2Very high13 Ų1336.4 Ų36.46%0.0620%0.197CC..Hα-helixtrans-65.7-44.7173.3-173.179.1000111.7E123 I124 Q125 Q130 H132 V133 F222 V223 F224E123-H127 WeakPolarHBondContact O-CB 3.44Å; E123-H127 PolarHBondContact O-N 3.09Å; I124-H127 WeakPolarHBondContact O-CB 3.23Å; I124-H127 PolarHBondContact O-N 3.27Å; Q125-H127 VanDerWaalsContact C-N 3.27Å; Q125-H127 PolarHBondContact O-N 3.34Å; H127-Q130 PolarHBondContact O-N 2.6Å; H127-H132 VanDerWaalsContact CD2-CB 3.48Å; H127-H132 WeakPolarHBondContact CD2-CB 3.31Å; H127-H132 WeakPolarHBondContact CE1-CB 3.45Å; H127-H132 AromaticContact CE1-CD2 3.69Å; H127-H132 AromaticContact CE1-CG 3.84Å; H127-H132 AromaticContact ND1-CD2 3.64Å; H127-H132 WeakPolarHBondContact NE2-CB 3.19Å; H127-H132 VanDerWaalsContact O-CB 3.31Å; H127-H132 WeakPolarHBondContact O-CB 3.48Å; H127-H132 PolarHBondContact O-N 3.41Å; H127-V133 PolarHBondContact NE2-O 2.95Å; H127-F222 HydrophobicContact CB-CD1 4.1Å; H127-F222 HydrophobicContact CB-CE1 3.85Å; H127-F222 AromaticContact CD2-CD1 3.37Å; H127-F222 WeakPolarHBondContact CD2-CD1 3.32Å; H127-F222 AromaticContact CD2-CE1 3.9Å; H127-F222 AromaticContact CE1-CD1 3.81Å; H127-F222 AromaticContact CG-CD1 3.51Å; H127-F222 AromaticContact CG-CE1 3.8Å; H127-F222 AromaticContact ND1-CD1 3.8Å; H127-F222 AromaticContact NE2-CD1 3.54Å; H127-V223 PolarHBondContact NE2-O 3.04Å; H127-F224 AromaticContact CE1-CD1 3.81Å; H127-F224 AromaticContact CE1-CE1 3.67Å; H127-F224 AromaticContact CE1-CZ 3.93Å; H127-F224 AromaticContact ND1-CE1 3.82Å
128L98.3Very high98.2Very high1 Ų134.1 Ų34.11%0.00518%0.182CC..Hα-helixtrans-66.2-37.8178.3-65.6164.5000112.6V6 L8 I124 Q125 Q130 G131 H132 V178 F181V6-L128 HydrophobicContact CG1-CB 4.42Å; L8-L128 HydrophobicContact CD1-CD2 4.27Å; I124-L128 HydrophobicContact CG2-CD1 3.96Å; I124-L128 VanDerWaalsContact O-CG 3.28Å; I124-L128 WeakPolarHBondContact O-CG 3.04Å; I124-L128 PolarHBondContact O-N 2.99Å; Q125-L128 PolarHBondContact O-N 3.23Å; Q125-L128 VanDerWaalsContact O-N 3.1Å; L128-Q130 PolarHBondContact O-N 3.25Å; L128-G131 WeakPolarHBondContact O-CA 3.33Å; L128-G131 PolarHBondContact O-N 3.22Å; L128-H132 WeakPolarHBondContact CD2-O 3.47Å; L128-V178 HydrophobicContact CD1-CG1 3.79Å; L128-V178 HydrophobicContact CD2-CG1 4.3Å; L128-F181 HydrophobicContact CB-CD1 4.05Å; L128-F181 HydrophobicContact CB-CE1 4.04Å; L128-F181 HydrophobicContact CD1-CD1 3.84Å
129E96.9Very high97.9Very high88 Ų8832.2 Ų32.241%0.41117%0.167SC..Hα-helixtrans-58.5-32.9175.8-76177.5138.600112.9V6 Q125 S126 G131 F181 R183V6-E129 HydrophobicContact CG2-CG 4.07Å; Q125-E129 WeakPolarHBondContact O-CG 3.07Å; Q125-E129 PolarHBondContact O-N 3.27Å; S126-E129 WeakPolarHBondContact CA-OE2 3.44Å; E129-G131 PolarHBondContact O-N 2.9Å; E129-F181 HydrophobicContact CG-CE1 3.79Å; E129-F181 HydrophobicContact CG-CZ 3.58Å; E129-R183 IonicContact OE1-CZ 3.11Å; E129-R183 IonicContact OE1-NH1 2.67Å; E129-R183 PolarHBondContact OE1-NH1 3.31Å; E129-R183 IonicContact OE1-NH2 2.67Å; E129-R183 PolarHBondContact OE1-NH2 3.25Å; E129-R183 IonicContact OE2-NH2 3.26Å; E129-R183 PolarHBondContact OE2-NH2 3.11Å
130Q96.9Very high97.5Very high124 Ų12432.4 Ų32.458%0.57917%0.169SC*.THydrogen-bonded Turntrans-77.97.1175.7-67.3170.569.700112.8S126 H127 L128 H132S126-Q130 WeakPolarHBondContact O-CG 3.46Å; S126-Q130 PolarHBondContact O-N 2.74Å; S126-Q130 PolarHBondContact O-NE2 2.9Å; H127-Q130 PolarHBondContact O-N 2.6Å; L128-Q130 PolarHBondContact O-N 3.25Å; Q130-H132 VanDerWaalsContact C-N 3.27Å; Q130-H132 PolarHBondContact O-N 3Å; Q130-H132 PolarHBondContact O-ND1 2.6Å
131G97.6Very high96.9Very high16 Ų1632.3 Ų32.317%0.16517%0.168CC..THydrogen-bonded Turntrans77.811.1179.600000114.1Y32 L128 E129Y32-G131 WeakPolarHBondContact CE1-O 3.49Å; Y32-G131 PolarHBondContact OH-O 3.32Å; L128-G131 WeakPolarHBondContact O-CA 3.33Å; L128-G131 PolarHBondContact O-N 3.22Å; E129-G131 PolarHBondContact O-N 2.9Å
132H98.3Very high96.6Very high19 Ų1932.9 Ų32.99%0.08817%0.172CC..  trans-89.8169.3177.7-50-31.5000111.6L8 H127 L128 Q130 V223 F224 K225L8-H132 WeakPolarHBondContact CD1-O 3.36Å; H127-H132 VanDerWaalsContact CD2-CB 3.48Å; H127-H132 WeakPolarHBondContact CD2-CB 3.31Å; H127-H132 WeakPolarHBondContact CE1-CB 3.45Å; H127-H132 AromaticContact CE1-CD2 3.69Å; H127-H132 AromaticContact CE1-CG 3.84Å; H127-H132 AromaticContact ND1-CD2 3.64Å; H127-H132 WeakPolarHBondContact NE2-CB 3.19Å; H127-H132 VanDerWaalsContact O-CB 3.31Å; H127-H132 WeakPolarHBondContact O-CB 3.48Å; H127-H132 PolarHBondContact O-N 3.41Å; L128-H132 WeakPolarHBondContact CD2-O 3.47Å; Q130-H132 VanDerWaalsContact C-N 3.27Å; Q130-H132 PolarHBondContact O-N 3Å; Q130-H132 PolarHBondContact O-ND1 2.6Å; H132-V223 WeakPolarHBondContact CB-O 3.44Å; H132-F224 AromaticContact CD2-CD1 3.7Å; H132-F224 AromaticContact NE2-CD1 3.76Å; H132-K225 PolarHBondContact ND1-N 2.76Å
133V98.7Very high96.3Very high0 Ų028.1 Ų28.10%015%0.151CC..EExtended strand (participates in β ladder)trans-133.6165.6-176.6-66.40000111.3L8 V10 V29 Y32 V33 H127 V177 V223L8-V133 HydrophobicContact CD1-CG1 3.72Å; V10-V133 HydrophobicContact CG2-CG1 3.58Å; V29-V133 HydrophobicContact CB-CG2 4.3Å; V29-V133 HydrophobicContact CG1-CG2 3.69Å; V29-V133 HydrophobicContact CG2-CG2 3.88Å; Y32-V133 HydrophobicContact CD1-CG1 3.77Å; Y32-V133 HydrophobicContact CD1-CG2 4.17Å; Y32-V133 HydrophobicContact CE1-CG1 3.69Å; V33-V133 HydrophobicContact CG1-CG2 4.05Å; H127-V133 PolarHBondContact NE2-O 2.95Å; V133-V177 HydrophobicContact CB-CG1 4.41Å; V133-V223 HydrophobicContact CG2-CB 4.34Å; V133-V223 PolarHBondContact N-O 3.22Å; V133-V223 PolarHBondContact O-N 3.46Å; V133-V223 VanDerWaalsContact O-O 3.04Å
134A98.8Very high95.9Very high0 Ų026.8 Ų26.80%015%0.15CC..EExtended strand (participates in β ladder)trans-136.1139.7177.100000111.9V136 V177 V178 I220 L221 F222A134-V136 HydrophobicContact CB-CG2 4.23Å; A134-V177 CarbonylContact O-C 3.52Å; A134-V177 WeakPolarHBondContact O-CA 3.25Å; A134-V178 PolarHBondContact N-O 3.42Å; A134-V178 PolarHBondContact O-N 3.32Å; A134-I220 HydrophobicContact CB-CD1 3.9Å; A134-I220 HydrophobicContact CB-CG1 3.94Å; A134-L221 CarbonylContact C-O 3.56Å; A134-L221 VanDerWaalsContact CA-O 3.31Å; A134-L221 WeakPolarHBondContact CA-O 3.41Å; A134-F222 HydrophobicContact CB-CD1 3.9Å; A134-F222 HydrophobicContact CB-CE1 4.28Å
135I98.9Very high95.6Very high0 Ų027.9 Ų27.90%016%0.157CC..EExtended strand (participates in β ladder)trans-92.2125.9165.1-55.4177.7000107C25 V29 L59 M63 F175 V176 V177 L221C25-I135 HydrophobicContact CB-CD1 4.12Å; C25-I135 HydrophobicContact CB-CG1 4.25Å; C25-I135 HydrophobicContact CB-CG2 3.9Å; V29-I135 HydrophobicContact CG2-CD1 4.05Å; V29-I135 HydrophobicContact CG2-CG1 3.74Å; L59-I135 HydrophobicContact CD1-CD1 4.42Å; L59-I135 HydrophobicContact CD1-CG2 4Å; M63-I135 HydrophobicContact CE-CD1 4.01Å; I135-F175 HydrophobicContact CG2-CB 4.19Å; I135-F175 HydrophobicContact CG2-CD1 3.78Å; I135-F175 HydrophobicContact CG2-CG 4.31Å; I135-V176 WeakPolarHBondContact CA-O 3.35Å; I135-V177 HydrophobicContact CG1-CG2 4.41Å; I135-L221 HydrophobicContact CB-CB 4.29Å; I135-L221 HydrophobicContact CD1-CD2 4.39Å; I135-L221 PolarHBondContact N-O 3.24Å; I135-L221 PolarHBondContact O-N 2.87Å
136V98.8Very high95.1Very high1 Ų132.3 Ų32.31%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-124.1131.3-174.3-174.70000109.5A134 V138 F175 V176 V178 F207 R211 I220A134-V136 HydrophobicContact CB-CG2 4.23Å; V136-V138 HydrophobicContact CG1-CG1 4.01Å; V136-F175 WeakPolarHBondContact O-CA 3.38Å; V136-V176 HydrophobicContact CB-CG2 4.31Å; V136-V176 PolarHBondContact N-O 2.96Å; V136-V176 PolarHBondContact O-N 2.87Å; V136-V178 HydrophobicContact CB-CG2 4.22Å; V136-V178 HydrophobicContact CG2-CB 4.34Å; V136-V178 HydrophobicContact CG2-CG2 3.53Å; V136-F207 HydrophobicContact CG1-CE2 4.12Å; V136-F207 HydrophobicContact CG1-CZ 4.06Å; V136-F207 HydrophobicContact CG2-CZ 4.24Å; V136-R211 HydrophobicContact CG1-CB 3.86Å; V136-I220 HydrophobicContact CG2-CB 4.47Å; V136-I220 HydrophobicContact CG2-CD1 3.83Å; V136-I220 HydrophobicContact CG2-CG1 3.91Å
137L98.4Very high94.3Very high17 Ų1733.7 Ų33.79%0.08919%0.187CC..EExtended strand (participates in β ladder)trans-82.8127.5169.4-174.858.4000109.1F175 T216 D219L137-F175 HydrophobicContact CB-CD1 4.11Å; L137-F175 HydrophobicContact CB-CE1 3.79Å; L137-F175 HydrophobicContact CB-CZ 4.49Å; L137-F175 HydrophobicContact CD1-CD1 4.13Å; L137-F175 HydrophobicContact CD1-CD2 4.39Å; L137-F175 HydrophobicContact CD1-CE1 3.93Å; L137-F175 HydrophobicContact CD1-CE2 4.19Å; L137-F175 HydrophobicContact CD1-CG 4.37Å; L137-F175 HydrophobicContact CD1-CZ 3.95Å; L137-F175 HydrophobicContact CG-CE1 4.31Å; L137-T216 HydrophobicContact CG-CG2 4.44Å; L137-D219 HydrophobicContact CB-CB 3.78Å; L137-D219 HydrophobicContact CD2-CB 4.18Å; L137-D219 PolarHBondContact N-O 3.13Å
138V97.1Very high93.4Very high0 Ų033.9 Ų33.90%019%0.19CC..EExtended strand (participates in β ladder)trans-128.1155.1179.8-620000110.9V136 A140 L143 G173 H174 V176 F207 A210 R211V136-V138 HydrophobicContact CG1-CG1 4.01Å; V138-A140 PolarHBondContact O-N 3.24Å; V138-L143 HydrophobicContact CB-CD2 4.5Å; V138-L143 HydrophobicContact CG2-CB 4.46Å; V138-L143 HydrophobicContact CG2-CD2 3.82Å; V138-G173 CarbonylContact O-C 3.59Å; V138-G173 WeakPolarHBondContact O-CA 3.18Å; V138-H174 HydrophobicContact CG2-CB 4.34Å; V138-H174 WeakPolarHBondContact CG2-O 3.46Å; V138-H174 PolarHBondContact N-O 2.73Å; V138-H174 PolarHBondContact O-N 3.23Å; V138-V176 HydrophobicContact CG1-CG2 4.14Å; V138-V176 HydrophobicContact CG2-CG1 4.26Å; V138-V176 HydrophobicContact CG2-CG2 4.42Å; V138-F207 HydrophobicContact CG1-CE2 4.48Å; V138-A210 HydrophobicContact CB-CB 4.21Å; V138-R211 HydrophobicContact CG1-CB 4.03Å
139N92.9Very high91.5Very high16 Ų1639.8 Ų39.89%0.08623%0.231CC..EExtended strand (participates in β ladder)trans-77.4107.2162.6-176-1.2000109.8V141 V142 L143 Y171 Q172 A210 S213 T216N139-V141 PolarHBondContact O-N 2.77Å; N139-V141 WeakPolarHBondContact OD1-CB 3.07Å; N139-V141 PolarHBondContact OD1-N 2.99Å; N139-V141 VanDerWaalsContact OD1-N 3.15Å; N139-V142 HydrophobicContact CB-CB 4.35Å; N139-V142 HydrophobicContact CB-CG2 4.26Å; N139-V142 WeakPolarHBondContact ND2-CG2 3.24Å; N139-V142 PolarHBondContact O-N 2.98Å; N139-L143 PolarHBondContact O-N 2.59Å; N139-Y171 HydrophobicContact CB-CD2 3.95Å; N139-Y171 HydrophobicContact CB-CE2 4.05Å; N139-Q172 CarbonylContact C-O 3.59Å; N139-Q172 WeakPolarHBondContact CA-O 3.44Å; N139-Q172 PolarHBondContact OD1-N 3.47Å; N139-A210 PolarHBondContact N-O 3.49Å; N139-S213 VanDerWaalsContact CB-CB 3.48Å; N139-T216 HydrophobicContact CB-CG2 4.41Å
140A89.9Confident89.7Confident10 Ų1039.4 Ų39.48%0.08324%0.239CC..THydrogen-bonded Turntrans-64.2-20.2-177.100000113.8V138 V142 Y154 Q172 H174V138-A140 PolarHBondContact O-N 3.24Å; A140-V142 VanDerWaalsContact C-N 3.33Å; A140-Y154 HydrophobicContact CB-CD2 3.67Å; A140-Y154 HydrophobicContact CB-CE2 3.51Å; A140-Y154 HydrophobicContact CB-CG 4.48Å; A140-Q172 HydrophobicContact CB-CB 4.41Å; A140-Q172 HydrophobicContact CB-CG 4.3Å; A140-Q172 WeakPolarHBondContact CB-O 3.49Å; A140-Q172 PolarHBondContact N-O 3.28Å; A140-H174 HydrophobicContact CB-CB 3.71Å
141V86.5Confident87.7Confident64 Ų6438 Ų3839%0.38824%0.24SC..THydrogen-bonded Turntrans-73.5-28.8175.1-1800000111.5N139 P169 Q172N139-V141 PolarHBondContact O-N 2.77Å; N139-V141 WeakPolarHBondContact OD1-CB 3.07Å; N139-V141 PolarHBondContact OD1-N 2.99Å; N139-V141 VanDerWaalsContact OD1-N 3.15Å; V141-P169 HydrophobicContact CB-CG 4.42Å; V141-P169 HydrophobicContact CG1-CG 3.82Å; V141-P169 HydrophobicContact CG2-CB 3.88Å; V141-P169 HydrophobicContact CG2-CG 3.69Å; V141-Q172 HydrophobicContact CG2-CB 4.07Å
142V91.2Very high85.7Confident29 Ų2939.4 Ų39.418%0.17625%0.245CC..THydrogen-bonded Turntrans-93.7-37-178.2175.80000111.2N139 A140 T144 N206 E209 A210N139-V142 HydrophobicContact CB-CB 4.35Å; N139-V142 HydrophobicContact CB-CG2 4.26Å; N139-V142 WeakPolarHBondContact ND2-CG2 3.24Å; N139-V142 PolarHBondContact O-N 2.98Å; A140-V142 VanDerWaalsContact C-N 3.33Å; V142-T144 PolarHBondContact O-N 2.97Å; V142-N206 PolarHBondContact O-ND2 3.15Å; V142-E209 HydrophobicContact CG1-CB 3.96Å; V142-E209 HydrophobicContact CG1-CG 3.65Å; V142-A210 HydrophobicContact CB-CB 4.09Å; V142-A210 HydrophobicContact CG1-CB 3.92Å
143L92.4Very high83.5Confident22 Ų2245 Ų4512%0.11527%0.269CS..  trans-66.6118.5-177.5-172.469000111.5V138 N139 V176 Y190 T202 A210V138-L143 HydrophobicContact CB-CD2 4.5Å; V138-L143 HydrophobicContact CG2-CB 4.46Å; V138-L143 HydrophobicContact CG2-CD2 3.82Å; N139-L143 PolarHBondContact O-N 2.59Å; L143-V176 HydrophobicContact CD2-CG1 4.28Å; L143-Y190 HydrophobicContact CD2-CD2 4.47Å; L143-Y190 HydrophobicContact CD2-CE2 3.7Å; L143-T202 HydrophobicContact CD1-CG2 3.99Å; L143-A210 HydrophobicContact CB-CB 3.79Å; L143-A210 HydrophobicContact CD1-CB 4.02Å
144T90.2Very high81.5Confident71 Ų7147 Ų4744%0.43628%0.277SS..  trans-114142.6176.562.20000110.5V142 T202 N206V142-T144 PolarHBondContact O-N 2.97Å; T144-T202 WeakPolarHBondContact O-CB 3.28Å; T144-T202 PolarHBondContact O-OG1 2.94Å; T144-N206 PolarHBondContact N-OD1 3.11Å; T144-N206 PolarHBondContact O-OD1 2.76Å; T144-N206 VanDerWaalsContact OG1-CG 3.31Å; T144-N206 PolarHBondContact OG1-OD1 2.89Å
145C90.4Very high79.2Confident22 Ų2249 Ų4915%0.14929%0.29CS..  trans-106.1124.8176.5170.20000109S147 C148 C200 C201C145-S147 VanDerWaalsContact C-N 3.33Å; C145-C148 HydrophobicContact CB-CB 3.53Å; C145-C148 WeakPolarHBondContact CB-SG 3.47Å; C145-C148 WeakPolarHBondContact SG-CB 3.43Å; C145-C148 PolarHBondContact SG-N 3.39Å; C145-C148 CovalentContact SG-SG 2.06Å; C145-C148 PolarHBondContact SG-SG 2.98Å; C145-C200 HydrophobicContact CB-CB 4.49Å; C145-C201 CarbonylContact C-O 3.49Å; C145-C201 VanDerWaalsContact CA-O 3.28Å; C145-C201 WeakPolarHBondContact CA-O 3.48Å
146E88.1Confident76.9Confident113 Ų11351.3 Ų51.353%0.52831%0.306SS..SBendtrans-73.9-26.5-178.8-66.9173163.700112.3C201 S203E146-C201 PolarHBondContact N-O 2.78Å; E146-S203 PolarHBondContact OE1-N 3.15Å
147S82.6Confident74.6Confident82 Ų8257.9 Ų57.957%0.57334%0.335SS*.SBendtrans-91.6-11.5179.3-44.80000113.5C145C145-S147 VanDerWaalsContact C-N 3.33Å
148C77.8Confident72Confident17 Ų1760.5 Ų60.512%0.11535%0.349CS..  trans-97.7117.3-172-52.80000109.8C145 S150 C200C145-C148 HydrophobicContact CB-CB 3.53Å; C145-C148 WeakPolarHBondContact CB-SG 3.47Å; C145-C148 WeakPolarHBondContact SG-CB 3.43Å; C145-C148 PolarHBondContact SG-N 3.39Å; C145-C148 CovalentContact SG-SG 2.06Å; C145-C148 PolarHBondContact SG-SG 2.98Å; C148-S150 PolarHBondContact O-N 3.39Å; C148-C200 VanDerWaalsContact SG-SG 3.63Å
149S59.8Low69.2Low124 Ų12464.9 Ų64.987%0.86738%0.377SS*.SBendtrans-64.6-6.3-175.7-39.60000114.9
150S57.5Low66.8Low81 Ų8171.7 Ų71.757%0.56642%0.419SS*.SBendtrans-152.7128.5175.9-69.90000110.7C148 Y195C148-S150 PolarHBondContact O-N 3.39Å; S150-Y195 PolarHBondContact O-OH 3.14Å
151P56Low64.6Low94 Ų9475 Ų7561%0.6145%0.454SS*.  trans-61.8144.6173.124.5-31.5000110K153P151-K153 PolarHBondContact O-N 3.02Å; P151-K153 VanDerWaalsContact O-N 3.1Å
152V54.8Low62.6Low45 Ų4577.3 Ų77.327%0.27346%0.46SS..  trans-64.4115172.1-170.10000107.8Y154 A194 Y195V152-Y154 HydrophobicContact CB-CD2 3.86Å; V152-Y154 HydrophobicContact CB-CE1 4.3Å; V152-Y154 HydrophobicContact CB-CE2 3.36Å; V152-Y154 HydrophobicContact CG1-CD1 3.84Å; V152-Y154 HydrophobicContact CG1-CD2 3.83Å; V152-Y154 HydrophobicContact CG1-CE1 3.49Å; V152-Y154 VanDerWaalsContact CG1-CE1 3.49Å; V152-Y154 HydrophobicContact CG1-CE2 3.49Å; V152-Y154 VanDerWaalsContact CG1-CE2 3.49Å; V152-Y154 HydrophobicContact CG1-CG 3.99Å; V152-Y154 HydrophobicContact CG2-CE2 4.11Å; V152-Y154 WeakPolarHBondContact O-CD2 3.28Å; V152-Y154 PolarHBondContact O-N 3.21Å; V152-Y154 VanDerWaalsContact O-N 3.14Å; V152-A194 HydrophobicContact CG2-CB 4.33Å; V152-Y195 HydrophobicContact CG2-CE1 3.81Å; V152-Y195 HydrophobicContact CG2-CE2 3.61Å; V152-Y195 WeakPolarHBondContact CG2-OH 3.26Å
153K53.4Low60.3Low138 Ų13883.9 Ų83.960%0.649%0.487SS*.  trans-8392.1175.8-69.4-172.5-176.9178.40109P151 C155P151-K153 PolarHBondContact O-N 3.02Å; P151-K153 VanDerWaalsContact O-N 3.1Å; K153-C155 VanDerWaalsContact C-N 3.29Å; K153-C155 PolarHBondContact O-N 3.24Å
154Y55.8Low58.6Low41 Ų4185.1 Ų85.116%0.16150%0.497CS..  trans-82.8-3.5178.4-64.8-79.3000114.8A140 V152 C156 H174 A194A140-Y154 HydrophobicContact CB-CD2 3.67Å; A140-Y154 HydrophobicContact CB-CE2 3.51Å; A140-Y154 HydrophobicContact CB-CG 4.48Å; V152-Y154 HydrophobicContact CB-CD2 3.86Å; V152-Y154 HydrophobicContact CB-CE1 4.3Å; V152-Y154 HydrophobicContact CB-CE2 3.36Å; V152-Y154 HydrophobicContact CG1-CD1 3.84Å; V152-Y154 HydrophobicContact CG1-CD2 3.83Å; V152-Y154 HydrophobicContact CG1-CE1 3.49Å; V152-Y154 VanDerWaalsContact CG1-CE1 3.49Å; V152-Y154 HydrophobicContact CG1-CE2 3.49Å; V152-Y154 VanDerWaalsContact CG1-CE2 3.49Å; V152-Y154 HydrophobicContact CG1-CG 3.99Å; V152-Y154 HydrophobicContact CG2-CE2 4.11Å; V152-Y154 WeakPolarHBondContact O-CD2 3.28Å; V152-Y154 PolarHBondContact O-N 3.21Å; V152-Y154 VanDerWaalsContact O-N 3.14Å; Y154-C156 PolarHBondContact O-N 2.98Å; Y154-H174 PolarHBondContact OH-NE2 3.24Å; Y154-A194 HydrophobicContact CE1-CB 4.47Å; Y154-A194 WeakPolarHBondContact OH-CB 3.37Å
155C51.3Low56.9Low41 Ų4191.4 Ų91.428%0.27752%0.519SS..THydrogen-bonded Turntrans-55.1-24.2-166.1-157.20000115.6K153 C164 C166K153-C155 VanDerWaalsContact C-N 3.29Å; K153-C155 PolarHBondContact O-N 3.24Å; C155-C164 HydrophobicContact CB-CB 4.42Å; C155-C166 WeakPolarHBondContact CB-SG 3.21Å; C155-C166 WeakPolarHBondContact SG-CB 3.22Å; C155-C166 CovalentContact SG-SG 2.02Å; C155-C166 PolarHBondContact SG-SG 3.02Å
156C49.7Very low55.3Low49 Ų4992.9 Ų92.933%0.33153%0.528SS..THydrogen-bonded Turntrans-152.313.8-171.3-58.80000116.4Y154 L158 C164 C166Y154-C156 PolarHBondContact O-N 2.98Å; C156-L158 HydrophobicContact CB-CD1 3.91Å; C156-L158 HydrophobicContact CB-CG 3.72Å; C156-L158 PolarHBondContact O-N 3.31Å; C156-C164 HydrophobicContact CB-CB 3.97Å; C156-C164 WeakPolarHBondContact CB-SG 3.47Å; C156-C164 WeakPolarHBondContact SG-CB 3.44Å; C156-C164 CovalentContact SG-SG 2.04Å; C156-C164 PolarHBondContact SG-SG 2.86Å; C156-C166 PolarHBondContact SG-SG 3.48Å
157F51.8Low53.9Low140 Ų14098.6 Ų98.661%0.61455%0.545SS*.SBendtrans49.425.2-167.6-62.2-68.2000114.3H18H18-F157 HydrophobicContact CB-CD1 3.88Å; H18-F157 HydrophobicContact CB-CE1 3.17Å; H18-F157 HydrophobicContact CB-CZ 3.6Å
158L42.2Very low52.5Low71 Ų71104.3 Ų104.337%0.37256%0.559SS.*PPolyproline II helixtrans-75.6146.4176.9-70.3174.7000109.9C156 Q162 C164C156-L158 HydrophobicContact CB-CD1 3.91Å; C156-L158 HydrophobicContact CB-CG 3.72Å; C156-L158 PolarHBondContact O-N 3.31Å; L158-Q162 HydrophobicContact CB-CB 4.37Å; L158-Q162 HydrophobicContact CD1-CB 4.32Å; L158-C164 HydrophobicContact CD1-CB 3.73Å
159P38.5Very low51.8Low92 Ų92105.9 Ų105.960%0.59757%0.57SS**PPolyproline II helixtrans-52.4148.7172.4-23.532000112.1G161 Q162P159-G161 PolarHBondContact O-N 3.15Å; P159-G161 VanDerWaalsContact O-N 3.17Å; P159-Q162 PolarHBondContact O-N 2.78Å
160V42.9Very low52.3Low160 Ų160106 Ų10697%0.9756%0.556SS**THydrogen-bonded Turntrans-49.1122.8174.2-179.80000109.5
161G44.2Very low53.5Low79 Ų79103.7 Ų103.781%0.81454%0.535SS*.THydrogen-bonded Turntrans111.6-12175.300000116.2P159P159-G161 PolarHBondContact O-N 3.15Å; P159-G161 VanDerWaalsContact O-N 3.17Å
162Q43.8Very low54.9Low112 Ų112101.3 Ų101.352%0.52352%0.516SS..  trans-89.9136.7175-75.7-176.3-1100112.7L158 P159 C164L158-Q162 HydrophobicContact CB-CB 4.37Å; L158-Q162 HydrophobicContact CD1-CB 4.32Å; P159-Q162 PolarHBondContact O-N 2.78Å; Q162-C164 PolarHBondContact O-N 2.95Å
163K43.9Very low56.6Low167 Ų167100.8 Ų100.873%0.72652%0.52SS*.  trans-78.3112.1170.5-68.9-176.6-179.6178.60108
164C54.9Low58.6Low49 Ų4994.5 Ų94.533%0.33149%0.493SS..  trans-82.6136.6167.7-1550000109.9C155 C156 L158 Q162 C166C155-C164 HydrophobicContact CB-CB 4.42Å; C156-C164 HydrophobicContact CB-CB 3.97Å; C156-C164 WeakPolarHBondContact CB-SG 3.47Å; C156-C164 WeakPolarHBondContact SG-CB 3.44Å; C156-C164 CovalentContact SG-SG 2.04Å; C156-C164 PolarHBondContact SG-SG 2.86Å; L158-C164 HydrophobicContact CD1-CB 3.73Å; Q162-C164 PolarHBondContact O-N 2.95Å; C164-C166 VanDerWaalsContact C-N 3.32Å; C164-C166 WeakPolarHBondContact CB-SG 3.22Å; C164-C166 PolarHBondContact SG-SG 3.45Å
165F56Low60.6Low203 Ų20393.1 Ų93.189%0.8949%0.487SS*.  trans-93.315.9178.9-66.3-87.5000113.1
166C57.1Low62.8Low52 Ų5291.1 Ų91.135%0.35147%0.474SS..  trans-57.9147.6171.637.90000111C155 C156 C164C155-C166 WeakPolarHBondContact CB-SG 3.21Å; C155-C166 WeakPolarHBondContact SG-CB 3.22Å; C155-C166 CovalentContact SG-SG 2.02Å; C155-C166 PolarHBondContact SG-SG 3.02Å; C156-C166 PolarHBondContact SG-SG 3.48Å; C164-C166 VanDerWaalsContact C-N 3.32Å; C164-C166 WeakPolarHBondContact CB-SG 3.22Å; C164-C166 PolarHBondContact SG-SG 3.45Å
167R56.8Low65.2Low234 Ų23488.8 Ų88.888%0.88346%0.458SS*.SBendtrans-54.8162.7165.3-69.3-178.9175.9-179.1-1.3109.3
168K55.3Low67.4Low201 Ų20182.1 Ų82.187%0.87443%0.429SS*.SBendtrans-41.6120.4172.5-81.5-172.5176.8-176.70108.4E170K168-E170 PolarHBondContact O-N 3.34Å
169P61.1Low70.1Confident51 Ų5178.8 Ų78.833%0.33141%0.411SS..  trans-58.9133.7-173.117.4-26.5000109.2V141V141-P169 HydrophobicContact CB-CG 4.42Å; V141-P169 HydrophobicContact CG1-CG 3.82Å; V141-P169 HydrophobicContact CG2-CB 3.88Å; V141-P169 HydrophobicContact CG2-CG 3.69Å
170E72Confident72.9Confident126 Ų12674.4 Ų74.459%0.58938%0.383SS*.  trans-59.3162.3165.4-67.3178.1171.600108.6S87 K168 Q172S87-E170 PolarHBondContact OG-OE2 3.44Å; K168-E170 PolarHBondContact O-N 3.34Å; E170-Q172 PolarHBondContact O-N 3.37Å
171Y82.3Confident75.5Confident32 Ų3266.8 Ų66.813%0.12534%0.337CS..  trans-36134.1178.9162.7-102.4000113.1N139 G173 Y214 G215 T216N139-Y171 HydrophobicContact CB-CD2 3.95Å; N139-Y171 HydrophobicContact CB-CE2 4.05Å; Y171-G173 VanDerWaalsContact OH-CA 3.28Å; Y171-G173 WeakPolarHBondContact OH-CA 2.91Å; Y171-Y214 VanDerWaalsContact CD2-O 3.31Å; Y171-Y214 WeakPolarHBondContact CD2-O 3.22Å; Y171-G215 PolarHBondContact OH-O 2.02Å; Y171-T216 HydrophobicContact CE2-CG2 3.74Å
172Q85.1Confident78Confident45 Ų4564.9 Ų64.921%0.2131%0.308CS..  trans-133.4106.1174.9-178.3160.55.200111.1N139 A140 V141 E170N139-Q172 CarbonylContact C-O 3.59Å; N139-Q172 WeakPolarHBondContact CA-O 3.44Å; N139-Q172 PolarHBondContact OD1-N 3.47Å; A140-Q172 HydrophobicContact CB-CB 4.41Å; A140-Q172 HydrophobicContact CB-CG 4.3Å; A140-Q172 WeakPolarHBondContact CB-O 3.49Å; A140-Q172 PolarHBondContact N-O 3.28Å; V141-Q172 HydrophobicContact CG2-CB 4.07Å; E170-Q172 PolarHBondContact O-N 3.37Å
173G90.9Very high80.5Confident33 Ų3363.8 Ų63.834%0.3430%0.299SS..EExtended strand (participates in β ladder)trans-64.8136.2174.500000111.8V138 Y171V138-G173 CarbonylContact O-C 3.59Å; V138-G173 WeakPolarHBondContact O-CA 3.18Å; Y171-G173 VanDerWaalsContact OH-CA 3.28Å; Y171-G173 WeakPolarHBondContact OH-CA 2.91Å
174H94.6Very high82.9Confident7 Ų761.2 Ų61.23%0.03230%0.298CS..EExtended strand (participates in β ladder)trans-148.6135.9174.6-175.464000110.5Q15 V138 A140 Y154 N192Q15-H174 PolarHBondContact OE1-CE1 2.96Å; Q15-H174 VanDerWaalsContact OE1-CE1 3.31Å; V138-H174 HydrophobicContact CG2-CB 4.34Å; V138-H174 WeakPolarHBondContact CG2-O 3.46Å; V138-H174 PolarHBondContact N-O 2.73Å; V138-H174 PolarHBondContact O-N 3.23Å; A140-H174 HydrophobicContact CB-CB 3.71Å; Y154-H174 PolarHBondContact OH-NE2 3.24Å; H174-N192 PolarHBondContact NE2-OD1 2.78Å
175F98.3Very high84.7Confident11 Ų1162.2 Ų62.25%0.04831%0.305CS..EExtended strand (participates in β ladder)trans-88.9137.5176.3-70.4-74.2000111.2C25 T56 L59 I135 V136 L137 P193C25-F175 HydrophobicContact CB-CB 4.47Å; C25-F175 PolarHBondContact SG-O 2.88Å; C25-F175 VanDerWaalsContact SG-O 3.39Å; T56-F175 HydrophobicContact CG2-CE1 4.32Å; T56-F175 VanDerWaalsContact OG1-CE1 3.31Å; T56-F175 WeakPolarHBondContact OG1-CE1 3.49Å; T56-F175 WeakPolarHBondContact OG1-CZ 3.47Å; L59-F175 HydrophobicContact CD1-CD1 4.18Å; L59-F175 HydrophobicContact CD1-CE1 4.08Å; L59-F175 HydrophobicContact CD1-CE2 4.45Å; L59-F175 HydrophobicContact CD1-CG 4.39Å; L59-F175 HydrophobicContact CD1-CZ 4.23Å; I135-F175 HydrophobicContact CG2-CB 4.19Å; I135-F175 HydrophobicContact CG2-CD1 3.78Å; I135-F175 HydrophobicContact CG2-CG 4.31Å; V136-F175 WeakPolarHBondContact O-CA 3.38Å; L137-F175 HydrophobicContact CB-CD1 4.11Å; L137-F175 HydrophobicContact CB-CE1 3.79Å; L137-F175 HydrophobicContact CB-CZ 4.49Å; L137-F175 HydrophobicContact CD1-CD1 4.13Å; L137-F175 HydrophobicContact CD1-CD2 4.39Å; L137-F175 HydrophobicContact CD1-CE1 3.93Å; L137-F175 HydrophobicContact CD1-CE2 4.19Å; L137-F175 HydrophobicContact CD1-CG 4.37Å; L137-F175 HydrophobicContact CD1-CZ 3.95Å; L137-F175 HydrophobicContact CG-CE1 4.31Å; F175-P193 VanDerWaalsContact O-CD 3.23Å; F175-P193 WeakPolarHBondContact O-CD 3.44Å; F175-P193 VanDerWaalsContact O-CG 3.32Å; F175-P193 WeakPolarHBondContact O-CG 3.45Å
176V98.4Very high86.6Confident0 Ų053.9 Ų53.90%028%0.277CS..EExtended strand (participates in β ladder)trans-129.9157.2170.6-62.20000110.2I135 V136 V138 L143 Y190 N192I135-V176 WeakPolarHBondContact CA-O 3.35Å; V136-V176 HydrophobicContact CB-CG2 4.31Å; V136-V176 PolarHBondContact N-O 2.96Å; V136-V176 PolarHBondContact O-N 2.87Å; V138-V176 HydrophobicContact CG1-CG2 4.14Å; V138-V176 HydrophobicContact CG2-CG1 4.26Å; V138-V176 HydrophobicContact CG2-CG2 4.42Å; L143-V176 HydrophobicContact CD2-CG1 4.28Å; V176-Y190 HydrophobicContact CB-CD2 3.9Å; V176-Y190 HydrophobicContact CG1-CD2 3.86Å; V176-Y190 HydrophobicContact CG1-CE2 4.17Å; V176-Y190 HydrophobicContact CG2-CD2 4.29Å; V176-N192 HydrophobicContact CG1-CB 4.44Å
177V98.8Very high88.4Confident0 Ų051.9 Ų51.90%026%0.263CS..EExtended strand (participates in β ladder)trans-100.2114.5170.8-178.10000108.7V10 C25 M28 V29 V133 A134 I135 Y190 N191V10-V177 HydrophobicContact CG1-CG1 4.26Å; C25-V177 HydrophobicContact CB-CG2 3.66Å; M28-V177 HydrophobicContact CB-CG2 4.16Å; M28-V177 HydrophobicContact CE-CG2 3.96Å; M28-V177 HydrophobicContact SD-CG2 4.48Å; V29-V177 HydrophobicContact CG2-CG1 3.75Å; V29-V177 HydrophobicContact CG2-CG2 3.91Å; V133-V177 HydrophobicContact CB-CG1 4.41Å; A134-V177 CarbonylContact O-C 3.52Å; A134-V177 WeakPolarHBondContact O-CA 3.25Å; I135-V177 HydrophobicContact CG1-CG2 4.41Å; V177-Y190 CarbonylContact O-C 3.47Å; V177-Y190 WeakPolarHBondContact O-CA 3.42Å; V177-Y190 WeakPolarHBondContact O-CB 3.33Å; V177-N191 HydrophobicContact CB-CB 4.29Å; V177-N191 PolarHBondContact N-O 2.9Å; V177-N191 PolarHBondContact O-N 2.9Å
178V98.8Very high90.4Very high0 Ų040.8 Ų40.80%022%0.221CC..EExtended strand (participates in β ladder)trans-79.1122.6170.9-178.50000108.4I124 L128 A134 V136 I188 F207I124-V178 HydrophobicContact CG2-CG1 4.28Å; L128-V178 HydrophobicContact CD1-CG1 3.79Å; L128-V178 HydrophobicContact CD2-CG1 4.3Å; A134-V178 PolarHBondContact N-O 3.42Å; A134-V178 PolarHBondContact O-N 3.32Å; V136-V178 HydrophobicContact CB-CG2 4.22Å; V136-V178 HydrophobicContact CG2-CB 4.34Å; V136-V178 HydrophobicContact CG2-CG2 3.53Å; V178-I188 HydrophobicContact CG1-CG2 3.77Å; V178-I188 HydrophobicContact CG2-CG2 4.42Å; V178-F207 HydrophobicContact CG2-CE2 3.69Å; V178-F207 HydrophobicContact CG2-CZ 3.73Å
179C98.2Very high92.4Very high0 Ų033.1 Ų33.10%019%0.188CC..EExtended strand (participates in β ladder)trans-130.33.5-171.459.60000113.5L8 V10 F189L8-C179 VanDerWaalsContact CB-O 3.31Å; L8-C179 WeakPolarHBondContact CB-O 3.48Å; L8-C179 WeakPolarHBondContact CG-O 3.48Å; L8-C179 PolarHBondContact N-O 2.91Å; V10-C179 HydrophobicContact CB-CB 4.22Å; V10-C179 HydrophobicContact CG2-CB 3.67Å; C179-F189 PolarHBondContact N-O 2.8Å
180G98.1Very high94.2Very high0 Ų030.9 Ų30.90%017%0.173CC..EExtended strand (participates in β ladder)trans-179.9176.6177.100000114.4V6 F189V6-G180 CarbonylContact O-C 3.36Å; V6-G180 WeakPolarHBondContact O-CA 3.46Å; G180-F189 PolarHBondContact N-O 2.68Å; G180-F189 PolarHBondContact O-N 3.5Å
181F98Very high95.4Very high0 Ų024.9 Ų24.90%015%0.145CC..EExtended strand (participates in β ladder)trans-153.9166174.465.7-92.2000111.1A5 V6 Q125 L128 E129 R183 C187 I188A5-F181 WeakPolarHBondContact CA-O 3.01Å; V6-F181 HydrophobicContact CB-CD1 4.02Å; V6-F181 HydrophobicContact CB-CE1 3.69Å; V6-F181 HydrophobicContact CB-CZ 4.08Å; V6-F181 HydrophobicContact CG1-CE1 4.5Å; V6-F181 HydrophobicContact CG2-CD1 4.43Å; V6-F181 HydrophobicContact CG2-CE1 3.62Å; V6-F181 HydrophobicContact CG2-CE2 4.41Å; V6-F181 HydrophobicContact CG2-CZ 3.61Å; V6-F181 PolarHBondContact N-O 3.21Å; V6-F181 PolarHBondContact O-N 3.22Å; V6-F181 VanDerWaalsContact O-O 3.08Å; Q125-F181 HydrophobicContact CB-CD1 4.05Å; Q125-F181 HydrophobicContact CB-CE1 3.88Å; Q125-F181 HydrophobicContact CB-CG 4.45Å; Q125-F181 HydrophobicContact CB-CZ 4.16Å; Q125-F181 HydrophobicContact CG-CB 4.28Å; Q125-F181 HydrophobicContact CG-CD1 3.81Å; Q125-F181 HydrophobicContact CG-CD2 4.11Å; Q125-F181 HydrophobicContact CG-CE1 4.12Å; Q125-F181 HydrophobicContact CG-CE2 4.43Å; Q125-F181 HydrophobicContact CG-CG 3.79Å; Q125-F181 HydrophobicContact CG-CZ 4.42Å; Q125-F181 WeakPolarHBondContact O-CE1 3.45Å; L128-F181 HydrophobicContact CB-CD1 4.05Å; L128-F181 HydrophobicContact CB-CE1 4.04Å; L128-F181 HydrophobicContact CD1-CD1 3.84Å; E129-F181 HydrophobicContact CG-CE1 3.79Å; E129-F181 HydrophobicContact CG-CZ 3.58Å; F181-R183 HydrophobicContact CD2-CG 3.89Å; F181-R183 HydrophobicContact CE2-CG 3.75Å; F181-C187 CarbonylContact C-O 3.5Å; F181-C187 WeakPolarHBondContact CA-O 3.48Å; F181-C187 WeakPolarHBondContact CB-O 3.27Å; F181-I188 HydrophobicContact CB-CD1 3.83Å
182N96.9Very high96Very high39 Ų3923.7 Ų23.721%0.20914%0.141CC..EExtended strand (participates in β ladder)trans-136.7115.9165.4-178.8-37.3000108.8D4 A5 T184 S185 G186 C187 F189D4-N182 CarbonylContact O-C 3.53Å; D4-N182 WeakPolarHBondContact O-CA 3.41Å; A5-N182 HydrophobicContact CB-CB 4.19Å; N182-T184 WeakPolarHBondContact OD1-CA 3.26Å; N182-T184 WeakPolarHBondContact OD1-CB 3.42Å; N182-T184 PolarHBondContact OD1-N 3.02Å; N182-S185 WeakPolarHBondContact CB-OG 3.11Å; N182-S185 VanDerWaalsContact CG-OG 3.28Å; N182-S185 PolarHBondContact OD1-N 3.46Å; N182-S185 PolarHBondContact OD1-OG 3.03Å; N182-G186 CarbonylContact O-C 3.56Å; N182-G186 WeakPolarHBondContact O-CA 3.47Å; N182-G186 PolarHBondContact O-N 3.02Å; N182-C187 PolarHBondContact N-O 2.75Å; N182-C187 PolarHBondContact O-N 2.76Å; N182-F189 HydrophobicContact CB-CE2 4.03Å; N182-F189 HydrophobicContact CB-CZ 4.18Å
183R95.3Very high96.5Very high89 Ų8921.5 Ų21.534%0.33613%0.131SC..THydrogen-bonded Turntrans-69.8-38.4-178.8-72.2176.8178.9121.1-1.1112.2E3 D4 E129 F181 G186E3-R183 PolarHBondContact O-NH1 3.48Å; D4-R183 HydrophobicContact CB-CB 4.43Å; D4-R183 PolarHBondContact O-N 3.44Å; E129-R183 IonicContact OE1-CZ 3.11Å; E129-R183 IonicContact OE1-NH1 2.67Å; E129-R183 PolarHBondContact OE1-NH1 3.31Å; E129-R183 IonicContact OE1-NH2 2.67Å; E129-R183 PolarHBondContact OE1-NH2 3.25Å; E129-R183 IonicContact OE2-NH2 3.26Å; E129-R183 PolarHBondContact OE2-NH2 3.11Å; F181-R183 HydrophobicContact CD2-CG 3.89Å; F181-R183 HydrophobicContact CE2-CG 3.75Å; R183-G186 PolarHBondContact O-N 3.06Å
184T94.4Very high96.4Very high114 Ų11421 Ų2170%0.69912%0.123SC*.THydrogen-bonded Turntrans-63.8-44.2-179.7-460000111.4N182N182-T184 WeakPolarHBondContact OD1-CA 3.26Å; N182-T184 WeakPolarHBondContact OD1-CB 3.42Å; N182-T184 PolarHBondContact OD1-N 3.02Å
185S93.1Very high95.9Very high69 Ų6922.8 Ų22.848%0.48313%0.13SC..THydrogen-bonded Turntrans-87.2-10.217769.40000113.4N182 C187N182-S185 WeakPolarHBondContact CB-OG 3.11Å; N182-S185 VanDerWaalsContact CG-OG 3.28Å; N182-S185 PolarHBondContact OD1-N 3.46Å; N182-S185 PolarHBondContact OD1-OG 3.03Å; S185-C187 PolarHBondContact O-SG 2.89Å; S185-C187 WeakPolarHBondContact OG-CB 3.41Å; S185-C187 PolarHBondContact OG-SG 3.47Å
186G95.4Very high94.7Very high29 Ų2926 Ų2630%0.29915%0.148SC..THydrogen-bonded Turntrans66.336.3-176.500000113.1N182 R183 S203 V204N182-G186 CarbonylContact O-C 3.56Å; N182-G186 WeakPolarHBondContact O-CA 3.47Å; N182-G186 PolarHBondContact O-N 3.02Å; R183-G186 PolarHBondContact O-N 3.06Å; G186-S203 CarbonylContact O-C 2.88Å; G186-S203 WeakPolarHBondContact O-CA 3.48Å; G186-V204 WeakPolarHBondContact O-CG2 3.25Å; G186-V204 PolarHBondContact O-N 3Å
187C95.8Very high93.7Very high10 Ų1032.1 Ų32.17%0.06818%0.18CC..EExtended strand (participates in β ladder)trans-111.3153.5-173.2-63.20000113.4F181 N182 S185 C201 T202F181-C187 CarbonylContact C-O 3.5Å; F181-C187 WeakPolarHBondContact CA-O 3.48Å; F181-C187 WeakPolarHBondContact CB-O 3.27Å; N182-C187 PolarHBondContact N-O 2.75Å; N182-C187 PolarHBondContact O-N 2.76Å; S185-C187 PolarHBondContact O-SG 2.89Å; S185-C187 WeakPolarHBondContact OG-CB 3.41Å; S185-C187 PolarHBondContact OG-SG 3.47Å; C187-C201 VanDerWaalsContact CB-SG 3.51Å; C187-T202 CarbonylContact C-O 3.46Å; C187-T202 VanDerWaalsContact CA-O 3.25Å; C187-T202 WeakPolarHBondContact CA-O 3.42Å
188I98.1Very high93Very high0 Ų038.1 Ų38.10%020%0.203CC..EExtended strand (participates in β ladder)trans-115.2131.4169.9-64.8-63.9000109.2I121 V178 F181 C201 T202 V204 F207I121-I188 HydrophobicContact CD1-CD1 3.72Å; I121-I188 HydrophobicContact CD1-CG1 4.18Å; I121-I188 HydrophobicContact CG1-CD1 4.46Å; V178-I188 HydrophobicContact CG1-CG2 3.77Å; V178-I188 HydrophobicContact CG2-CG2 4.42Å; F181-I188 HydrophobicContact CB-CD1 3.83Å; I188-C201 WeakPolarHBondContact O-CA 3.41Å; I188-T202 HydrophobicContact CB-CG2 4.39Å; I188-T202 PolarHBondContact N-O 3.02Å; I188-T202 PolarHBondContact O-N 3.03Å; I188-V204 HydrophobicContact CD1-CG2 4.16Å; I188-V204 HydrophobicContact CG1-CG2 3.9Å; I188-F207 HydrophobicContact CB-CB 4.45Å; I188-F207 HydrophobicContact CB-CG 4.37Å; I188-F207 HydrophobicContact CG1-CB 4.28Å; I188-F207 HydrophobicContact CG1-CD1 3.98Å; I188-F207 HydrophobicContact CG1-CG 4.17Å; I188-F207 HydrophobicContact CG2-CD1 4.47Å; I188-F207 HydrophobicContact CG2-CD2 4.26Å; I188-F207 HydrophobicContact CG2-CE2 4.48Å; I188-F207 HydrophobicContact CG2-CG 4.26Å
189F97.8Very high92.7Very high41 Ų4141 Ų4118%0.1822%0.22CC..EExtended strand (participates in β ladder)trans-98.2134.2173.8-58.1-62.1000110.4L7 C179 G180 N182 V199 C200 C201L7-F189 HydrophobicContact CB-CD2 4.43Å; L7-F189 HydrophobicContact CD1-CB 3.82Å; L7-F189 HydrophobicContact CD1-CD2 4.15Å; L7-F189 HydrophobicContact CD1-CG 4.05Å; C179-F189 PolarHBondContact N-O 2.8Å; G180-F189 PolarHBondContact N-O 2.68Å; G180-F189 PolarHBondContact O-N 3.5Å; N182-F189 HydrophobicContact CB-CE2 4.03Å; N182-F189 HydrophobicContact CB-CZ 4.18Å; F189-V199 HydrophobicContact CB-CG1 3.89Å; F189-C200 WeakPolarHBondContact CA-O 3.42Å; F189-C201 HydrophobicContact CD1-CB 3.91Å; F189-C201 HydrophobicContact CE1-CB 4.01Å
190Y98.1Very high92.6Very high3 Ų341 Ų411%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-148.1144.5-178.364.3-80.9000112.5L143 V176 V177 N192 C200 T202L143-Y190 HydrophobicContact CD2-CD2 4.47Å; L143-Y190 HydrophobicContact CD2-CE2 3.7Å; V176-Y190 HydrophobicContact CB-CD2 3.9Å; V176-Y190 HydrophobicContact CG1-CD2 3.86Å; V176-Y190 HydrophobicContact CG1-CE2 4.17Å; V176-Y190 HydrophobicContact CG2-CD2 4.29Å; V177-Y190 CarbonylContact O-C 3.47Å; V177-Y190 WeakPolarHBondContact O-CA 3.42Å; V177-Y190 WeakPolarHBondContact O-CB 3.33Å; Y190-N192 HydrophobicContact CD2-CB 4.1Å; Y190-N192 HydrophobicContact CE2-CB 3.9Å; Y190-C200 HydrophobicContact CD1-CB 4.02Å; Y190-C200 HydrophobicContact CD2-CB 3.86Å; Y190-C200 HydrophobicContact CE1-CB 3.58Å; Y190-C200 HydrophobicContact CE2-CB 3.43Å; Y190-C200 VanDerWaalsContact CE2-CB 3.43Å; Y190-C200 HydrophobicContact CG-CB 4.14Å; Y190-C200 PolarHBondContact N-O 2.89Å; Y190-C200 WeakPolarHBondContact O-CA 3.37Å; Y190-C200 WeakPolarHBondContact O-CB 3.39Å; Y190-C200 PolarHBondContact O-N 3.1Å; Y190-T202 HydrophobicContact CD1-CG2 4.28Å; Y190-T202 HydrophobicContact CE1-CG2 3.77Å
191N97.3Very high92.4Very high0 Ų041.5 Ų41.50%022%0.224CC..EExtended strand (participates in β ladder)trans-85.7123.1167.3-66.7-6.7000108.8V10 P11 V12 M28 V177V10-N191 PolarHBondContact O-ND2 3.32Å; P11-N191 PolarHBondContact O-ND2 3.21Å; V12-N191 HydrophobicContact CG2-CB 4.39Å; M28-N191 HydrophobicContact CE-CB 4.27Å; M28-N191 HydrophobicContact SD-CB 3.64Å; V177-N191 HydrophobicContact CB-CB 4.29Å; V177-N191 PolarHBondContact N-O 2.9Å; V177-N191 PolarHBondContact O-N 2.9Å
192N95.2Very high92.3Very high7 Ų741.5 Ų41.54%0.03722%0.224CC..  trans-103.7115.2176.7179.6-8.8000109.3H174 V176 Y190 A194 Y195H174-N192 PolarHBondContact NE2-OD1 2.78Å; V176-N192 HydrophobicContact CG1-CB 4.44Å; Y190-N192 HydrophobicContact CD2-CB 4.1Å; Y190-N192 HydrophobicContact CE2-CB 3.9Å; N192-A194 PolarHBondContact O-N 2.77Å; N192-A194 VanDerWaalsContact OD1-CB 3.27Å; N192-A194 WeakPolarHBondContact OD1-CB 3.08Å; N192-A194 PolarHBondContact OD1-N 3.14Å; N192-Y195 HydrophobicContact CB-CD2 3.94Å; N192-Y195 WeakPolarHBondContact ND2-CE2 3.37Å; N192-Y195 PolarHBondContact O-N 3.18Å
193P94.4Very high92.4Very high0 Ų041.5 Ų41.50%023%0.227CC..THydrogen-bonded Turntrans-65.9-10-176.829.6-37.1000113.7R14 Q15 C21 A24 M28 F175 Y195R14-P193 CarbonylContact C-O 3.46Å; R14-P193 VanDerWaalsContact CA-O 3.3Å; R14-P193 WeakPolarHBondContact CA-O 3.43Å; R14-P193 WeakPolarHBondContact CG-O 3.36Å; Q15-P193 HydrophobicContact CB-CB 4.14Å; Q15-P193 PolarHBondContact N-O 3.39Å; C21-P193 HydrophobicContact CB-CG 3.83Å; A24-P193 HydrophobicContact CB-CB 3.75Å; M28-P193 HydrophobicContact CE-CB 3.85Å; M28-P193 HydrophobicContact CE-CG 4.39Å; F175-P193 VanDerWaalsContact O-CD 3.23Å; F175-P193 WeakPolarHBondContact O-CD 3.44Å; F175-P193 VanDerWaalsContact O-CG 3.32Å; F175-P193 WeakPolarHBondContact O-CG 3.45Å; P193-Y195 VanDerWaalsContact C-N 3.27Å; P193-Y195 PolarHBondContact O-N 3.02Å
194A89.4Confident92.5Very high23 Ų2338.8 Ų38.819%0.1922%0.22CC..THydrogen-bonded Turntrans-72.6-18.9172.700000113.4V152 Y154 N192V152-A194 HydrophobicContact CG2-CB 4.33Å; Y154-A194 HydrophobicContact CE1-CB 4.47Å; Y154-A194 WeakPolarHBondContact OH-CB 3.37Å; N192-A194 PolarHBondContact O-N 2.77Å; N192-A194 VanDerWaalsContact OD1-CB 3.27Å; N192-A194 WeakPolarHBondContact OD1-CB 3.08Å; N192-A194 PolarHBondContact OD1-N 3.14Å
195Y83.4Confident92.7Very high44 Ų4435.8 Ų35.817%0.17321%0.212CC..SBendtrans-111.1155.9179.1-60.3-64.5000111.5S150 V152 N192 P193S150-Y195 PolarHBondContact O-OH 3.14Å; V152-Y195 HydrophobicContact CG2-CE1 3.81Å; V152-Y195 HydrophobicContact CG2-CE2 3.61Å; V152-Y195 WeakPolarHBondContact CG2-OH 3.26Å; N192-Y195 HydrophobicContact CB-CD2 3.94Å; N192-Y195 WeakPolarHBondContact ND2-CE2 3.37Å; N192-Y195 PolarHBondContact O-N 3.18Å; P193-Y195 VanDerWaalsContact C-N 3.27Å; P193-Y195 PolarHBondContact O-N 3.02Å
196N74.8Confident92.9Very high79 Ų7933.4 Ų33.442%0.42219%0.193SC..SBendtrans-98.6146.8169.5-159.838.3000110.6R198N196-R198 PolarHBondContact O-N 3.1Å
197D75.7Confident93Very high127 Ų12732 Ų3268%0.67918%0.179SC*.SBendtrans48.544.6165.6-57.3-31.6000116
198R84.9Confident93.1Very high126 Ų12633 Ų3348%0.47518%0.183SC..  trans-154.5148.9172.166.7-172.867.8-161.6-3.4113.6V12 N196V12-R198 WeakPolarHBondContact CG2-O 3.38Å; N196-R198 PolarHBondContact O-N 3.1Å
199V93.2Very high93.1Very high60 Ų6038.6 Ų38.636%0.36421%0.209SC..EExtended strand (participates in β ladder)trans-90.7129.4163-175.60000107.8L7 F189L7-V199 HydrophobicContact CD1-CG1 4.03Å; F189-V199 HydrophobicContact CB-CG1 3.89Å
200C94.7Very high93Very high0 Ų036.7 Ų36.70%020%0.201CC..EExtended strand (participates in β ladder)trans-88.3158.9173.4-67.30000110.9C145 C148 F189 Y190C145-C200 HydrophobicContact CB-CB 4.49Å; C148-C200 VanDerWaalsContact SG-SG 3.63Å; F189-C200 WeakPolarHBondContact CA-O 3.42Å; Y190-C200 HydrophobicContact CD1-CB 4.02Å; Y190-C200 HydrophobicContact CD2-CB 3.86Å; Y190-C200 HydrophobicContact CE1-CB 3.58Å; Y190-C200 HydrophobicContact CE2-CB 3.43Å; Y190-C200 VanDerWaalsContact CE2-CB 3.43Å; Y190-C200 HydrophobicContact CG-CB 4.14Å; Y190-C200 PolarHBondContact N-O 2.89Å; Y190-C200 WeakPolarHBondContact O-CA 3.37Å; Y190-C200 WeakPolarHBondContact O-CB 3.39Å; Y190-C200 PolarHBondContact O-N 3.1Å
201C95.2Very high93Very high11 Ų1136.6 Ų36.67%0.07420%0.2CC..EExtended strand (participates in β ladder)trans-136139.9178.7-177.80000109.7C145 E146 C187 I188 F189C145-C201 CarbonylContact C-O 3.49Å; C145-C201 VanDerWaalsContact CA-O 3.28Å; C145-C201 WeakPolarHBondContact CA-O 3.48Å; E146-C201 PolarHBondContact N-O 2.78Å; C187-C201 VanDerWaalsContact CB-SG 3.51Å; I188-C201 WeakPolarHBondContact O-CA 3.41Å; F189-C201 HydrophobicContact CD1-CB 3.91Å; F189-C201 HydrophobicContact CE1-CB 4.01Å
202T95.9Very high93Very high0 Ų042.8 Ų42.80%022%0.224CC..EExtended strand (participates in β ladder)trans-145.6159.9173.6-168.50000110.5L143 T144 C187 I188 Y190 N206 F207L143-T202 HydrophobicContact CD1-CG2 3.99Å; T144-T202 WeakPolarHBondContact O-CB 3.28Å; T144-T202 PolarHBondContact O-OG1 2.94Å; C187-T202 CarbonylContact C-O 3.46Å; C187-T202 VanDerWaalsContact CA-O 3.25Å; C187-T202 WeakPolarHBondContact CA-O 3.42Å; I188-T202 HydrophobicContact CB-CG2 4.39Å; I188-T202 PolarHBondContact N-O 3.02Å; I188-T202 PolarHBondContact O-N 3.03Å; Y190-T202 HydrophobicContact CD1-CG2 4.28Å; Y190-T202 HydrophobicContact CE1-CG2 3.77Å; T202-N206 PolarHBondContact OG1-OD1 3.27Å; T202-N206 VanDerWaalsContact OG1-OD1 3.05Å; T202-F207 HydrophobicContact CG2-CB 3.81Å
203S97.4Very high93Very high39 Ų3943.3 Ų43.327%0.27323%0.228SC..EExtended strand (participates in β ladder)trans-64.6150.2170.567.90000111.9E146 G186 G205 N206 F207E146-S203 PolarHBondContact OE1-N 3.15Å; G186-S203 CarbonylContact O-C 2.88Å; G186-S203 WeakPolarHBondContact O-CA 3.48Å; S203-G205 PolarHBondContact O-N 3.39Å; S203-N206 PolarHBondContact O-N 3.17Å; S203-N206 WeakPolarHBondContact OG-CB 3.46Å; S203-N206 PolarHBondContact OG-N 2.88Å; S203-F207 PolarHBondContact O-N 3.42Å
204V98Very high92.7Very high33 Ų3349.7 Ų49.720%0.225%0.253CS..Hα-helixtrans-54.2-40.1172.6165.20000111.2I121 G186 I188 F207 E208I121-V204 HydrophobicContact CB-CG1 4.33Å; I121-V204 HydrophobicContact CD1-CG1 4.25Å; I121-V204 HydrophobicContact CD1-CG2 4.5Å; I121-V204 HydrophobicContact CG1-CG1 3.76Å; I121-V204 HydrophobicContact CG1-CG2 4.18Å; I121-V204 HydrophobicContact CG2-CG1 4.37Å; G186-V204 WeakPolarHBondContact O-CG2 3.25Å; G186-V204 PolarHBondContact O-N 3Å; I188-V204 HydrophobicContact CD1-CG2 4.16Å; I188-V204 HydrophobicContact CG1-CG2 3.9Å; V204-F207 PolarHBondContact O-N 3.45Å; V204-E208 HydrophobicContact CG1-CG 4.27Å; V204-E208 WeakPolarHBondContact O-CB 3.26Å; V204-E208 WeakPolarHBondContact O-CG 3.18Å; V204-E208 PolarHBondContact O-N 2.85Å
205G98.2Very high92.6Very high50 Ų5048.8 Ų48.852%0.51525%0.246SC..Hα-helixtrans-60.8-48.817900000112.6S203 E208 E209S203-G205 PolarHBondContact O-N 3.39Å; G205-E208 PolarHBondContact O-N 3.28Å; G205-E209 WeakPolarHBondContact O-CB 3.31Å; G205-E209 PolarHBondContact O-N 3.25Å
206N97.3Very high93.1Very high19 Ų1946.7 Ų46.710%0.10224%0.238CC..Hα-helixtrans-70-34.3179.1-177.2-116.8000112.6V142 T144 T202 S203 A210V142-N206 PolarHBondContact O-ND2 3.15Å; T144-N206 PolarHBondContact N-OD1 3.11Å; T144-N206 PolarHBondContact O-OD1 2.76Å; T144-N206 VanDerWaalsContact OG1-CG 3.31Å; T144-N206 PolarHBondContact OG1-OD1 2.89Å; T202-N206 PolarHBondContact OG1-OD1 3.27Å; T202-N206 VanDerWaalsContact OG1-OD1 3.05Å; S203-N206 PolarHBondContact O-N 3.17Å; S203-N206 WeakPolarHBondContact OG-CB 3.46Å; S203-N206 PolarHBondContact OG-N 2.88Å; N206-A210 VanDerWaalsContact O-CB 3.28Å; N206-A210 WeakPolarHBondContact O-CB 3.42Å; N206-A210 PolarHBondContact O-N 3.13Å
207F98.3Very high94.1Very high0 Ų044.1 Ų44.10%022%0.224CC..Hα-helixtrans-62.1-47.6172.5174.6-109.7000112.2I121 I124 V136 V138 V178 I188 T202 S203 V204 A210 R211I121-F207 HydrophobicContact CD1-CD1 3.9Å; I121-F207 HydrophobicContact CD1-CE1 3.96Å; I124-F207 HydrophobicContact CD1-CE1 3.88Å; I124-F207 HydrophobicContact CD1-CZ 4.34Å; V136-F207 HydrophobicContact CG1-CE2 4.12Å; V136-F207 HydrophobicContact CG1-CZ 4.06Å; V136-F207 HydrophobicContact CG2-CZ 4.24Å; V138-F207 HydrophobicContact CG1-CE2 4.48Å; V178-F207 HydrophobicContact CG2-CE2 3.69Å; V178-F207 HydrophobicContact CG2-CZ 3.73Å; I188-F207 HydrophobicContact CB-CB 4.45Å; I188-F207 HydrophobicContact CB-CG 4.37Å; I188-F207 HydrophobicContact CG1-CB 4.28Å; I188-F207 HydrophobicContact CG1-CD1 3.98Å; I188-F207 HydrophobicContact CG1-CG 4.17Å; I188-F207 HydrophobicContact CG2-CD1 4.47Å; I188-F207 HydrophobicContact CG2-CD2 4.26Å; I188-F207 HydrophobicContact CG2-CE2 4.48Å; I188-F207 HydrophobicContact CG2-CG 4.26Å; T202-F207 HydrophobicContact CG2-CB 3.81Å; S203-F207 PolarHBondContact O-N 3.42Å; V204-F207 PolarHBondContact O-N 3.45Å; F207-A210 PolarHBondContact O-N 3.4Å; F207-R211 VanDerWaalsContact CE1-CD 3.48Å; F207-R211 WeakPolarHBondContact O-CB 3.25Å; F207-R211 WeakPolarHBondContact O-CG 3.32Å; F207-R211 PolarHBondContact O-N 3.26Å
208E98.5Very high95.1Very high31 Ų3139.1 Ų39.115%0.14520%0.196CC..Hα-helixtrans-61-46.1176.2-77.2-72.4134.700111.4V204 G205 A210 R211 R212V204-E208 HydrophobicContact CG1-CG 4.27Å; V204-E208 WeakPolarHBondContact O-CB 3.26Å; V204-E208 WeakPolarHBondContact O-CG 3.18Å; V204-E208 PolarHBondContact O-N 2.85Å; G205-E208 PolarHBondContact O-N 3.28Å; E208-A210 VanDerWaalsContact C-N 3.32Å; E208-A210 PolarHBondContact O-N 3.3Å; E208-R211 IonicContact OE1-CZ 2.75Å; E208-R211 VanDerWaalsContact OE1-CZ 3.24Å; E208-R211 IonicContact OE1-NE 2.83Å; E208-R211 PolarHBondContact OE1-NE 2.96Å; E208-R211 IonicContact OE1-NH2 3.55Å; E208-R211 PolarHBondContact OE1-NH2 3.18Å; E208-R211 IonicContact OE2-CZ 3.63Å; E208-R211 IonicContact OE2-NE 3.24Å; E208-R211 IonicContact OE2-NH2 3.76Å; E208-R211 PolarHBondContact OE2-NH2 3.17Å; E208-R212 VanDerWaalsContact O-CB 3.22Å; E208-R212 WeakPolarHBondContact O-CB 3.5Å; E208-R212 VanDerWaalsContact O-CG 3.22Å; E208-R212 WeakPolarHBondContact O-CG 3.08Å; E208-R212 PolarHBondContact O-N 3.36Å; E208-R212 WeakPolarHBondContact OE2-CD 3.34Å; E208-R212 IonicContact OE2-NH1 3.7Å
209E97.4Very high95.8Very high118 Ų11833.6 Ų33.655%0.55118%0.176SC*.Hα-helixtrans-58.3-44.4176.1-166.2-168.5164.700111.7V142 G205 S213V142-E209 HydrophobicContact CG1-CB 3.96Å; V142-E209 HydrophobicContact CG1-CG 3.65Å; G205-E209 WeakPolarHBondContact O-CB 3.31Å; G205-E209 PolarHBondContact O-N 3.25Å; E209-S213 PolarHBondContact O-N 2.99Å; E209-S213 PolarHBondContact O-OG 2.9Å
210A96.5Very high96.1Very high0 Ų030.8 Ų30.80%016%0.159CC..Hα-helixtrans-70.2-45.6-178.500000112.7V138 N139 V142 L143 N206 F207 E208 R212 S213V138-A210 HydrophobicContact CB-CB 4.21Å; N139-A210 PolarHBondContact N-O 3.49Å; V142-A210 HydrophobicContact CB-CB 4.09Å; V142-A210 HydrophobicContact CG1-CB 3.92Å; L143-A210 HydrophobicContact CB-CB 3.79Å; L143-A210 HydrophobicContact CD1-CB 4.02Å; N206-A210 VanDerWaalsContact O-CB 3.28Å; N206-A210 WeakPolarHBondContact O-CB 3.42Å; N206-A210 PolarHBondContact O-N 3.13Å; F207-A210 PolarHBondContact O-N 3.4Å; E208-A210 VanDerWaalsContact C-N 3.32Å; E208-A210 PolarHBondContact O-N 3.3Å; A210-R212 VanDerWaalsContact C-N 3.34Å; A210-S213 WeakPolarHBondContact O-CB 3.27Å; A210-S213 PolarHBondContact O-OG 3.03Å
211R98Very high96.3Very high2 Ų230.8 Ų30.81%0.00816%0.159CC..Hα-helixtrans-76.1-21.2-177.782.7-179.9-172.469.56.3113.2V119 V136 V138 F207 E208 T216 E218V119-R211 PolarHBondContact O-NH2 2.85Å; V136-R211 HydrophobicContact CG1-CB 3.86Å; V138-R211 HydrophobicContact CG1-CB 4.03Å; F207-R211 VanDerWaalsContact CE1-CD 3.48Å; F207-R211 WeakPolarHBondContact O-CB 3.25Å; F207-R211 WeakPolarHBondContact O-CG 3.32Å; F207-R211 PolarHBondContact O-N 3.26Å; E208-R211 IonicContact OE1-CZ 2.75Å; E208-R211 VanDerWaalsContact OE1-CZ 3.24Å; E208-R211 IonicContact OE1-NE 2.83Å; E208-R211 PolarHBondContact OE1-NE 2.96Å; E208-R211 IonicContact OE1-NH2 3.55Å; E208-R211 PolarHBondContact OE1-NH2 3.18Å; E208-R211 IonicContact OE2-CZ 3.63Å; E208-R211 IonicContact OE2-NE 3.24Å; E208-R211 IonicContact OE2-NH2 3.76Å; E208-R211 PolarHBondContact OE2-NH2 3.17Å; R211-T216 WeakPolarHBondContact O-CB 3.07Å; R211-T216 PolarHBondContact O-OG1 3.13Å; R211-E218 WeakPolarHBondContact O-CA 3.14Å
212R97Very high96.4Very high129 Ų12931.1 Ų31.149%0.48716%0.159SC..THydrogen-bonded Turntrans-102.15.4178.7-56-178.970.1174.26113.4E208 A210 E218E208-R212 VanDerWaalsContact O-CB 3.22Å; E208-R212 WeakPolarHBondContact O-CB 3.5Å; E208-R212 VanDerWaalsContact O-CG 3.22Å; E208-R212 WeakPolarHBondContact O-CG 3.08Å; E208-R212 PolarHBondContact O-N 3.36Å; E208-R212 WeakPolarHBondContact OE2-CD 3.34Å; E208-R212 IonicContact OE2-NH1 3.7Å; A210-R212 VanDerWaalsContact C-N 3.34Å; R212-E218 HydrophobicContact CB-CG 4.27Å; R212-E218 HydrophobicContact CG-CG 4.05Å; R212-E218 IonicContact CZ-OE1 2.78Å; R212-E218 IonicContact NE-OE1 3.28Å; R212-E218 PolarHBondContact NE-OE1 3.37Å; R212-E218 IonicContact NH2-OE1 3.84Å; R212-E218 PolarHBondContact NH2-OE1 3.22Å; R212-E218 VanDerWaalsContact NH2-OE1 3.11Å
213S93.9Very high96.6Very high19 Ų1931.1 Ų31.113%0.13316%0.159CC..SBendtrans-58.3142174-77.30000111.3N139 E209 A210 G215 T216N139-S213 VanDerWaalsContact CB-CB 3.48Å; E209-S213 PolarHBondContact O-N 2.99Å; E209-S213 PolarHBondContact O-OG 2.9Å; A210-S213 WeakPolarHBondContact O-CB 3.27Å; A210-S213 PolarHBondContact O-OG 3.03Å; S213-G215 PolarHBondContact O-N 3.43Å; S213-T216 PolarHBondContact O-N 3.35Å; S213-T216 VanDerWaalsContact O-N 3.1Å; S213-T216 PolarHBondContact O-OG1 2.77Å
214Y89.4Confident96.6Very high134 Ų13431.7 Ų31.753%0.52516%0.157SC..THydrogen-bonded Turntrans-53.4127.8171.8-176.6-103.2000110.4D80 F83 Y171D80-Y214 PolarHBondContact OD2-OH 3.48Å; F83-Y214 HydrophobicContact CD1-CE1 4.38Å; F83-Y214 HydrophobicContact CE1-CE1 4.06Å; F83-Y214 AromaticContact CE1-CZ 3.97Å; Y171-Y214 VanDerWaalsContact CD2-O 3.31Å; Y171-Y214 WeakPolarHBondContact CD2-O 3.22Å
215G87.8Confident96.5Very high3 Ų334 Ų343%0.03116%0.164CC..THydrogen-bonded Turntrans111.5-24.2-172.500000115.4Y171 S213Y171-G215 PolarHBondContact OH-O 2.02Å; S213-G215 PolarHBondContact O-N 3.43Å
216T93.8Very high95.7Very high1 Ų138 Ų381%0.00617%0.17CC..SBendtrans-90.6-15.8-178.8640000113.7L137 N139 Y171 R211 S213 E218 D219L137-T216 HydrophobicContact CG-CG2 4.44Å; N139-T216 HydrophobicContact CB-CG2 4.41Å; Y171-T216 HydrophobicContact CE2-CG2 3.74Å; R211-T216 WeakPolarHBondContact O-CB 3.07Å; R211-T216 PolarHBondContact O-OG1 3.13Å; S213-T216 PolarHBondContact O-N 3.35Å; S213-T216 VanDerWaalsContact O-N 3.1Å; S213-T216 PolarHBondContact O-OG1 2.77Å; T216-E218 PolarHBondContact O-N 3.3Å; T216-E218 PolarHBondContact OG1-N 3.29Å; T216-D219 VanDerWaalsContact O-CB 3.24Å; T216-D219 WeakPolarHBondContact O-CB 3.4Å; T216-D219 PolarHBondContact O-N 3.31Å
217D94.9Very high93.9Very high25 Ų2546.1 Ų46.113%0.13423%0.228CC..THydrogen-bonded Turntrans53.320.7-171.9-63.6-56.7000114.2T74 Q75 T76 D219T74-D217 PolarHBondContact OG1-O 3.43Å; Q75-D217 WeakPolarHBondContact CB-O 3.46Å; Q75-D217 PolarHBondContact N-O 3.33Å; T76-D217 WeakPolarHBondContact CB-OD1 3.46Å; T76-D217 PolarHBondContact OG1-OD1 3.13Å; D217-D219 WeakPolarHBondContact CB-OD1 3.18Å; D217-D219 PolarHBondContact O-N 3.39Å
218E97.6Very high93.7Very high22 Ų2248.5 Ų48.510%0.10324%0.239CC..THydrogen-bonded Turntrans53.327.4-168.9-49.4-169.7168.100113.8Q75 S118 R211 R212 T216 I220Q75-E218 HydrophobicContact CG-CB 4.03Å; Q75-E218 HydrophobicContact CG-CG 3.77Å; S118-E218 VanDerWaalsContact CB-OE2 3.25Å; S118-E218 WeakPolarHBondContact CB-OE2 3.35Å; S118-E218 PolarHBondContact OG-OE2 3.45Å; R211-E218 WeakPolarHBondContact O-CA 3.14Å; R212-E218 HydrophobicContact CB-CG 4.27Å; R212-E218 HydrophobicContact CG-CG 4.05Å; R212-E218 IonicContact CZ-OE1 2.78Å; R212-E218 IonicContact NE-OE1 3.28Å; R212-E218 PolarHBondContact NE-OE1 3.37Å; R212-E218 IonicContact NH2-OE1 3.84Å; R212-E218 PolarHBondContact NH2-OE1 3.22Å; R212-E218 VanDerWaalsContact NH2-OE1 3.11Å; T216-E218 PolarHBondContact O-N 3.3Å; T216-E218 PolarHBondContact OG1-N 3.29Å; E218-I220 PolarHBondContact O-N 3.33Å
219D98.7Very high93.4Very high9 Ų949.4 Ų49.45%0.04824%0.244CC..  trans-58.7120.6-174-856.3000112.6T56 F72 T74 L137 T216 D217T56-D219 WeakPolarHBondContact CB-OD2 3.14Å; T56-D219 HydrophobicContact CG2-CB 4.16Å; T56-D219 WeakPolarHBondContact OG1-CB 3.44Å; T56-D219 PolarHBondContact OG1-OD2 3.01Å; F72-D219 HydrophobicContact CE2-CB 3.99Å; T74-D219 WeakPolarHBondContact CB-OD1 3.31Å; T74-D219 PolarHBondContact OG1-OD1 3.27Å; L137-D219 HydrophobicContact CB-CB 3.78Å; L137-D219 HydrophobicContact CD2-CB 4.18Å; L137-D219 PolarHBondContact N-O 3.13Å; T216-D219 VanDerWaalsContact O-CB 3.24Å; T216-D219 WeakPolarHBondContact O-CB 3.4Å; T216-D219 PolarHBondContact O-N 3.31Å; D217-D219 WeakPolarHBondContact CB-OD1 3.18Å; D217-D219 PolarHBondContact O-N 3.39Å
220I98.9Very high93.2Very high1 Ų145.6 Ų45.61%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-138.3124.3173.7-179.1162.4000110.5C73 V119 I124 A134 V136 E218 F222C73-I220 HydrophobicContact CB-CG2 3.76Å; C73-I220 PolarHBondContact N-O 2.95Å; C73-I220 PolarHBondContact O-N 2.99Å; V119-I220 HydrophobicContact CB-CG2 4.14Å; V119-I220 HydrophobicContact CG2-CG2 3.69Å; I124-I220 HydrophobicContact CD1-CD1 3.83Å; I124-I220 HydrophobicContact CG1-CD1 3.77Å; A134-I220 HydrophobicContact CB-CD1 3.9Å; A134-I220 HydrophobicContact CB-CG1 3.94Å; V136-I220 HydrophobicContact CG2-CB 4.47Å; V136-I220 HydrophobicContact CG2-CD1 3.83Å; V136-I220 HydrophobicContact CG2-CG1 3.91Å; E218-I220 PolarHBondContact O-N 3.33Å; I220-F222 HydrophobicContact CD1-CD1 4.25Å; I220-F222 HydrophobicContact CD1-CE1 3.69Å; I220-F222 HydrophobicContact CD1-CE2 4.22Å; I220-F222 HydrophobicContact CD1-CZ 3.7Å; I220-F222 HydrophobicContact CG1-CD1 4.39Å; I220-F222 HydrophobicContact CG1-CD2 4.48Å; I220-F222 HydrophobicContact CG1-CE1 4.28Å; I220-F222 HydrophobicContact CG1-CE2 4.36Å; I220-F222 HydrophobicContact CG1-CZ 4.29Å; I220-F222 HydrophobicContact CG2-CE2 4.25Å
221L98.9Very high93Very high0 Ų048.2 Ų48.20%024%0.241CC..EExtended strand (participates in β ladder)trans-102.699.8173178.362000108.9T56 L59 A60 M63 H70 F72 A134 I135 V223T56-L221 HydrophobicContact CG2-CB 4.17Å; L59-L221 HydrophobicContact CB-CD2 3.73Å; A60-L221 HydrophobicContact CB-CD1 3.95Å; M63-L221 HydrophobicContact CG-CD2 4.03Å; H70-L221 HydrophobicContact CB-CD1 3.99Å; F72-L221 HydrophobicContact CB-CD1 3.96Å; A134-L221 CarbonylContact C-O 3.56Å; A134-L221 VanDerWaalsContact CA-O 3.31Å; A134-L221 WeakPolarHBondContact CA-O 3.41Å; I135-L221 HydrophobicContact CB-CB 4.29Å; I135-L221 HydrophobicContact CD1-CD2 4.39Å; I135-L221 PolarHBondContact N-O 3.24Å; I135-L221 PolarHBondContact O-N 2.87Å; L221-V223 HydrophobicContact CG-CG2 4.11Å
222F98.9Very high92.7Very high18 Ų1851.1 Ų51.18%0.07926%0.255CS..EExtended strand (participates in β ladder)trans-71.2130.7170.5-72.2-63.3000110.2H70 C71 V119 I124 H127 A134 I220 F224H70-F222 CarbonylContact C-O 3.51Å; H70-F222 WeakPolarHBondContact CA-O 3.4Å; H70-F222 WeakPolarHBondContact CB-O 3.19Å; C71-F222 HydrophobicContact CB-CB 4.36Å; C71-F222 PolarHBondContact N-O 3.36Å; C71-F222 PolarHBondContact O-N 2.04Å; V119-F222 HydrophobicContact CG1-CE2 3.88Å; V119-F222 HydrophobicContact CG1-CZ 3.58Å; V119-F222 HydrophobicContact CG2-CE2 3.95Å; V119-F222 HydrophobicContact CG2-CZ 4.49Å; I124-F222 HydrophobicContact CG1-CE1 4.31Å; I124-F222 HydrophobicContact CG1-CZ 4.13Å; H127-F222 HydrophobicContact CB-CD1 4.1Å; H127-F222 HydrophobicContact CB-CE1 3.85Å; H127-F222 AromaticContact CD2-CD1 3.37Å; H127-F222 WeakPolarHBondContact CD2-CD1 3.32Å; H127-F222 AromaticContact CD2-CE1 3.9Å; H127-F222 AromaticContact CE1-CD1 3.81Å; H127-F222 AromaticContact CG-CD1 3.51Å; H127-F222 AromaticContact CG-CE1 3.8Å; H127-F222 AromaticContact ND1-CD1 3.8Å; H127-F222 AromaticContact NE2-CD1 3.54Å; A134-F222 HydrophobicContact CB-CD1 3.9Å; A134-F222 HydrophobicContact CB-CE1 4.28Å; I220-F222 HydrophobicContact CD1-CD1 4.25Å; I220-F222 HydrophobicContact CD1-CE1 3.69Å; I220-F222 HydrophobicContact CD1-CE2 4.22Å; I220-F222 HydrophobicContact CD1-CZ 3.7Å; I220-F222 HydrophobicContact CG1-CD1 4.39Å; I220-F222 HydrophobicContact CG1-CD2 4.48Å; I220-F222 HydrophobicContact CG1-CE1 4.28Å; I220-F222 HydrophobicContact CG1-CE2 4.36Å; I220-F222 HydrophobicContact CG1-CZ 4.29Å; I220-F222 HydrophobicContact CG2-CE2 4.25Å; F222-F224 HydrophobicContact CB-CE2 4.18Å; F222-F224 HydrophobicContact CB-CZ 4.36Å
223V98.8Very high92.4Very high0 Ų045.9 Ų45.90%024%0.24CC..EExtended strand (participates in β ladder)trans-123.4126177.6-174.70000109.7V29 V33 M63 V68 H127 H132 V133 L221V29-V223 HydrophobicContact CG1-CB 3.73Å; V29-V223 HydrophobicContact CG1-CG1 3.52Å; V29-V223 HydrophobicContact CG1-CG2 3.92Å; V33-V223 HydrophobicContact CG2-CG1 3.96Å; M63-V223 HydrophobicContact CG-CG2 4.32Å; M63-V223 HydrophobicContact SD-CG1 4.43Å; M63-V223 HydrophobicContact SD-CG2 4.32Å; V68-V223 HydrophobicContact CG1-CG1 3.41Å; V68-V223 VanDerWaalsContact CG1-CG1 3.41Å; H127-V223 PolarHBondContact NE2-O 3.04Å; H132-V223 WeakPolarHBondContact CB-O 3.44Å; V133-V223 HydrophobicContact CG2-CB 4.34Å; V133-V223 PolarHBondContact N-O 3.22Å; V133-V223 PolarHBondContact O-N 3.46Å; V133-V223 VanDerWaalsContact O-O 3.04Å; L221-V223 HydrophobicContact CG-CG2 4.11Å
224F98.3Very high92.3Very high51 Ų5147.9 Ų47.922%0.22425%0.247CC..PPolyproline II helixtrans-97.7124.9-171.4-60.4-97.7000109.9K69 C71 H127 H132 F222K69-F224 HydrophobicContact CB-CB 4.13Å; K69-F224 HydrophobicContact CB-CD2 4.48Å; K69-F224 HydrophobicContact CD-CB 4.16Å; K69-F224 HydrophobicContact CD-CD2 4.45Å; K69-F224 HydrophobicContact CD-CG 4.26Å; K69-F224 HydrophobicContact CG-CB 4.09Å; K69-F224 HydrophobicContact CG-CD2 3.88Å; K69-F224 HydrophobicContact CG-CG 4.12Å; K69-F224 WeakPolarHBondContact O-CD2 3.47Å; K69-F224 PolarHBondContact O-N 3.24Å; C71-F224 HydrophobicContact CB-CE2 3.95Å; C71-F224 HydrophobicContact CB-CZ 4.36Å; H127-F224 AromaticContact CE1-CD1 3.81Å; H127-F224 AromaticContact CE1-CE1 3.67Å; H127-F224 AromaticContact CE1-CZ 3.93Å; H127-F224 AromaticContact ND1-CE1 3.82Å; H132-F224 AromaticContact CD2-CD1 3.7Å; H132-F224 AromaticContact NE2-CD1 3.76Å; F222-F224 HydrophobicContact CB-CE2 4.18Å; F222-F224 HydrophobicContact CB-CZ 4.36Å
225K94.6Very high92.5Very high82 Ų8241.2 Ų41.236%0.35723%0.226SC..PPolyproline II helixtrans-76.1126.9170.6-172.6174.1179.81790108.7Y32 V33 H132Y32-K225 HydrophobicContact CE1-CD 3.9Å; V33-K225 HydrophobicContact CB-CB 4.4Å; V33-K225 HydrophobicContact CB-CG 4.46Å; V33-K225 HydrophobicContact CG1-CB 4.04Å; V33-K225 HydrophobicContact CG1-CG 4.39Å; H132-K225 PolarHBondContact ND1-N 2.76Å
226Q82.4Confident92.9Very high135 Ų13544.4 Ų44.463%0.63124%0.242SC*.PPolyproline II helixtrans-67.7134.5172.7-64.7-174.3500108.9
227S59.1Low92.8Very high189 Ų18948.4 Ų48.4100%1.32226%0.264SS*.  trans-730177.8-52.80000111.8

Retrieved 227 of 227 residues in 1631.4 ms (Link to these results)

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