A0A087YF95_POEFO Loading...

ADP-ribosylation factor-like 8

AlphaFold DB , UniProt , Accession A0A087YF95, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 180 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
1T45.8Very low48.8Very low137 Ų137115.6 Ų115.684%0.8462%0.616SS**  0137.6041.70000108.8G3 L4T1-G3 PolarHBondContact O-N 3.32Å; T1-G3 VanDerWaalsContact O-N 3.09Å; T1-L4 PolarHBondContact O-N 3.5Å; T1-L4 WeakPolarHBondContact OG1-CD1 3.4Å
2M43.5Very low48.9Very low167 Ų167118.3 Ų118.382%0.82361%0.613SS**Hα-helixtrans-50.4-31.1173.5-80.7-84.8-82.700112.3L4 I5 F6M2-L4 PolarHBondContact O-N 3.09Å; M2-I5 PolarHBondContact O-N 2.84Å; M2-F6 WeakPolarHBondContact O-CB 3.02Å; M2-F6 PolarHBondContact O-N 3.47Å
3G44.6Very low49Very low48 Ų48121.3 Ų121.350%0.49562%0.619SS.*Hα-helixtrans-67.3-26.917700000116.4T1 A7T1-G3 PolarHBondContact O-N 3.32Å; T1-G3 VanDerWaalsContact O-N 3.09Å; G3-A7 WeakPolarHBondContact O-CB 3.39Å; G3-A7 PolarHBondContact O-N 3.06Å
4L47.4Very low49.1Very low119 Ų119116 Ų11662%0.62360%0.598SS**Hα-helixtrans-77.5-33.5176.5-90.2162.5000112.2T1 M2 K8T1-L4 PolarHBondContact O-N 3.5Å; T1-L4 WeakPolarHBondContact OG1-CD1 3.4Å; M2-L4 PolarHBondContact O-N 3.09Å; L4-K8 WeakPolarHBondContact O-CB 3.44Å; L4-K8 PolarHBondContact O-N 2.66Å
5I55.3Low49.5Very low108 Ų108114.9 Ų114.955%0.55459%0.593SS**Hα-helixtrans-72.2-43.9173.5-63.6172.8000108.9M2 A7 K8 L9M2-I5 PolarHBondContact O-N 2.84Å; I5-A7 PolarHBondContact O-N 2.85Å; I5-K8 PolarHBondContact O-N 2.96Å; I5-L9 HydrophobicContact CG2-CD1 3.59Å; I5-L9 WeakPolarHBondContact O-CB 3.32Å; I5-L9 WeakPolarHBondContact O-CD1 3.38Å; I5-L9 PolarHBondContact O-N 3.45Å
6F51.6Low50.9Low141 Ų141112.2 Ų112.262%0.61858%0.577SS**Hα-helixtrans-63.5-39.6174.8-143.8-91.6000112.1M2 W10M2-F6 WeakPolarHBondContact O-CB 3.02Å; M2-F6 PolarHBondContact O-N 3.47Å; F6-W10 HydrophobicContact CE1-CE3 4.31Å; F6-W10 WeakPolarHBondContact O-CA 3.45Å; F6-W10 WeakPolarHBondContact O-CB 3.4Å; F6-W10 PolarHBondContact O-N 3.08Å
7A52.3Low52.9Low56 Ų56112.6 Ų112.646%0.46358%0.576SS.*Hα-helixtrans-70.4-33175.800000113.2G3 I5 S11G3-A7 WeakPolarHBondContact O-CB 3.39Å; G3-A7 PolarHBondContact O-N 3.06Å; I5-A7 PolarHBondContact O-N 2.85Å; A7-S11 WeakPolarHBondContact O-CB 3.14Å; A7-S11 PolarHBondContact O-N 3.48Å
8K48Very low55.1Low163 Ų163107.3 Ų107.371%0.70955%0.548SS*.Hα-helixtrans-71.9-42.2172.1-89.6-173.5171.7-1750112.5L4 I5 S11 Y12L4-K8 WeakPolarHBondContact O-CB 3.44Å; L4-K8 PolarHBondContact O-N 2.66Å; I5-K8 PolarHBondContact O-N 2.96Å; K8-S11 PolarHBondContact O-N 2.79Å; K8-Y12 WeakPolarHBondContact O-CB 3.42Å; K8-Y12 PolarHBondContact O-N 2.91Å
9L52.6Low57.3Low94 Ų94103.9 Ų103.949%0.49253%0.529SS..Hα-helixtrans-63.1-44.8170.9-94.6124.6000110I5 S11 Y12 F13I5-L9 HydrophobicContact CG2-CD1 3.59Å; I5-L9 WeakPolarHBondContact O-CB 3.32Å; I5-L9 WeakPolarHBondContact O-CD1 3.38Å; I5-L9 PolarHBondContact O-N 3.45Å; L9-S11 PolarHBondContact O-N 3.22Å; L9-Y12 CarbonylContact O-C 3.55Å; L9-Y12 WeakPolarHBondContact O-CA 3.25Å; L9-Y12 WeakPolarHBondContact O-CB 3.12Å; L9-Y12 PolarHBondContact O-N 2.71Å; L9-Y12 VanDerWaalsContact O-N 3.08Å; L9-F13 HydrophobicContact CD2-CD2 4.45Å; L9-F13 HydrophobicContact CD2-CE2 4.13Å; L9-F13 WeakPolarHBondContact O-CB 3.37Å; L9-F13 VanDerWaalsContact O-CD2 3.25Å; L9-F13 WeakPolarHBondContact O-CD2 3.1Å; L9-F13 PolarHBondContact O-N 3.46Å
10W50.2Low59.3Low159 Ų15998.8 Ų98.860%0.60250%0.503SS*.Hα-helixtrans-64.6-38.1176.3-166.7-93.3000112.4F6 Y12 F13 C14F6-W10 HydrophobicContact CE1-CE3 4.31Å; F6-W10 WeakPolarHBondContact O-CA 3.45Å; F6-W10 WeakPolarHBondContact O-CB 3.4Å; F6-W10 PolarHBondContact O-N 3.08Å; W10-Y12 VanDerWaalsContact C-N 3.3Å; W10-Y12 PolarHBondContact O-N 3.47Å; W10-F13 CarbonylContact O-C 3.58Å; W10-F13 PolarHBondContact O-N 3.37Å; W10-C14 PolarHBondContact NE1-SG 3.03Å; W10-C14 VanDerWaalsContact NE1-SG 3.37Å; W10-C14 WeakPolarHBondContact O-CA 3.33Å; W10-C14 WeakPolarHBondContact O-CB 3.46Å; W10-C14 PolarHBondContact O-N 2.76Å
11S45.9Very low61.2Low80 Ų8094 Ų9456%0.55948%0.479SS*.Hα-helixtrans-69.1-26171.51600000113A7 K8 L9A7-S11 WeakPolarHBondContact O-CB 3.14Å; A7-S11 PolarHBondContact O-N 3.48Å; K8-S11 PolarHBondContact O-N 2.79Å; L9-S11 PolarHBondContact O-N 3.22Å
12Y49.8Very low63.7Low147 Ų14787.5 Ų87.558%0.57644%0.439SS*.Hα-helixtrans-78.3-31170.8-165.5-94.2000111.4K8 L9 W10K8-Y12 WeakPolarHBondContact O-CB 3.42Å; K8-Y12 PolarHBondContact O-N 2.91Å; L9-Y12 CarbonylContact O-C 3.55Å; L9-Y12 WeakPolarHBondContact O-CA 3.25Å; L9-Y12 WeakPolarHBondContact O-CB 3.12Å; L9-Y12 PolarHBondContact O-N 2.71Å; L9-Y12 VanDerWaalsContact O-N 3.08Å; W10-Y12 VanDerWaalsContact C-N 3.3Å; W10-Y12 PolarHBondContact O-N 3.47Å
13F50.4Low66.3Low158 Ų15879.6 Ų79.669%0.69340%0.4SS*.Hα-helixtrans-89.7-17.2178.7-91.7-90.7000114.4L9 W10L9-F13 HydrophobicContact CD2-CD2 4.45Å; L9-F13 HydrophobicContact CD2-CE2 4.13Å; L9-F13 WeakPolarHBondContact O-CB 3.37Å; L9-F13 VanDerWaalsContact O-CD2 3.25Å; L9-F13 WeakPolarHBondContact O-CD2 3.1Å; L9-F13 PolarHBondContact O-N 3.46Å; W10-F13 CarbonylContact O-C 3.58Å; W10-F13 PolarHBondContact O-N 3.37Å
14C49.3Very low68.8Low47 Ų4777.3 Ų77.332%0.31838%0.377SS..SBendtrans-127.2106.6-178.8-63.80000108.2W10W10-C14 PolarHBondContact NE1-SG 3.03Å; W10-C14 VanDerWaalsContact NE1-SG 3.37Å; W10-C14 WeakPolarHBondContact O-CA 3.33Å; W10-C14 WeakPolarHBondContact O-CB 3.46Å; W10-C14 PolarHBondContact O-N 2.76Å
15N56.3Low71.2Confident100 Ų10072 Ų7254%0.53535%0.349SS..  trans81.154.8167.7-52.71.4000115.9
16Q70.7Confident73.1Confident71 Ų7168.9 Ų68.933%0.33233%0.333SS..  trans-75.7119.5146.1-72.4-167.21.200108.1H18Q16-H18 PolarHBondContact O-CD2 3.24Å; Q16-H18 PolarHBondContact O-N 3.29Å
17E85.1Confident75.1Confident120 Ų12067.6 Ų67.656%0.56133%0.333SS*.  trans-68.6124.3169.8-67.2170.9-167.700108.9H62E17-H62 HydrophobicContact CG-CB 4.37Å
18H93.1Very high77.3Confident16 Ų1665 Ų657%0.07431%0.312CS..EExtended strand (participates in β ladder)trans-90.5115.3176.4-64.5-82.2000109.3Q16 V20 T61 H62 F63 L64 E86 F87Q16-H18 PolarHBondContact O-CD2 3.24Å; Q16-H18 PolarHBondContact O-N 3.29Å; H18-V20 PolarHBondContact O-N 2.66Å; H18-T61 VanDerWaalsContact CD2-CG2 3.45Å; H18-T61 WeakPolarHBondContact CD2-CG2 3.43Å; H18-H62 PolarHBondContact N-O 2.84Å; H18-F63 HydrophobicContact CB-CD1 3.7Å; H18-F63 HydrophobicContact CB-CE1 3.99Å; H18-F63 WeakPolarHBondContact O-CA 3.4Å; H18-L64 PolarHBondContact O-N 3Å; H18-E86 IonicContact CE1-OE2 2.7Å; H18-E86 IonicContact CG-OE2 3.57Å; H18-E86 IonicContact ND1-OE1 3.8Å; H18-E86 IonicContact ND1-OE2 3.56Å; H18-E86 PolarHBondContact ND1-OE2 3.14Å; H18-F87 HydrophobicContact CB-CD2 4.32Å; H18-F87 HydrophobicContact CB-CE2 4.14Å
19K95.9Very high79.6Confident44 Ų4457.9 Ų57.919%0.19128%0.284CS..EExtended strand (participates in β ladder)trans-72.7127.1175.7-177.9175.5173.5-178.30110.8Y81 S83 N84 E86 F87K19-Y81 WeakPolarHBondContact CE-O 3.34Å; K19-Y81 PolarHBondContact NZ-O 3.4Å; K19-S83 PolarHBondContact NZ-O 2.92Å; K19-N84 WeakPolarHBondContact CB-O 3.4Å; K19-E86 PolarHBondContact O-N 2.76Å; K19-F87 PolarHBondContact O-N 3.1Å
20V98.1Very high81.7Confident0 Ų054 Ų540%026%0.263CS..EExtended strand (participates in β ladder)trans-123.9136.5178.7-172.90000109.3H18 F63 L64 M65 W66 F87 I89 M173H18-V20 PolarHBondContact O-N 2.66Å; V20-F63 HydrophobicContact CG2-CB 3.99Å; V20-F63 HydrophobicContact CG2-CD1 3.62Å; V20-F63 HydrophobicContact CG2-CG 4.23Å; V20-L64 PolarHBondContact N-O 3.2Å; V20-M65 HydrophobicContact CB-CG 4.04Å; V20-M65 HydrophobicContact CG1-CG 4.41Å; V20-M65 HydrophobicContact CG2-CG 4.33Å; V20-M65 WeakPolarHBondContact O-CA 3.35Å; V20-W66 PolarHBondContact O-N 3.01Å; V20-F87 WeakPolarHBondContact CA-O 3.39Å; V20-F87 HydrophobicContact CB-CB 4.43Å; V20-F87 HydrophobicContact CG1-CB 4.07Å; V20-F87 HydrophobicContact CG2-CB 4.08Å; V20-F87 HydrophobicContact CG2-CD2 4.32Å; V20-I89 HydrophobicContact CG1-CD1 3.77Å; V20-I89 HydrophobicContact CG1-CG1 3.74Å; V20-M173 HydrophobicContact CG1-CE 3.98Å; V20-M173 HydrophobicContact CG2-CE 3.75Å
21I98.3Very high83.9Confident0 Ų047.3 Ų47.30%024%0.24CC..EExtended strand (participates in β ladder)trans-107133.7165.567.5-178.8000109.6V23 W66 I68 Y82 T85 F87 I88 I89 L116I21-V23 HydrophobicContact CB-CG1 4.42Å; I21-V23 HydrophobicContact CD1-CG1 4.23Å; I21-V23 HydrophobicContact CG1-CG1 4.24Å; I21-W66 HydrophobicContact CG2-CB 4.4Å; I21-I68 HydrophobicContact CB-CD1 4.01Å; I21-I68 HydrophobicContact CG2-CD1 4.21Å; I21-Y82 HydrophobicContact CD1-CD1 3.82Å; I21-Y82 HydrophobicContact CD1-CE1 3.96Å; I21-T85 HydrophobicContact CB-CG2 4.43Å; I21-T85 HydrophobicContact CD1-CG2 4.12Å; I21-T85 HydrophobicContact CG1-CG2 3.89Å; I21-T85 HydrophobicContact CG2-CG2 4.02Å; I21-F87 PolarHBondContact N-O 2.82Å; I21-I88 HydrophobicContact CD1-CG1 4.08Å; I21-I88 HydrophobicContact CD1-CG2 4.35Å; I21-I88 HydrophobicContact CG1-CB 4.3Å; I21-I88 HydrophobicContact CG1-CG1 4.09Å; I21-I88 HydrophobicContact CG1-CG2 4.12Å; I21-I89 PolarHBondContact O-N 3.11Å; I21-L116 HydrophobicContact CD1-CD2 4.49Å
22I98.5Very high86.2Confident0 Ų044.2 Ų44.20%022%0.218CC..EExtended strand (participates in β ladder)trans-105.1115.7172.1-46.9-178.5000107.7K30 L34 M65 W66 I68 I89 V91I22-K30 HydrophobicContact CG2-CB 3.79Å; I22-K30 HydrophobicContact CG2-CD 4.3Å; I22-K30 HydrophobicContact CG2-CG 4Å; I22-L34 HydrophobicContact CD1-CB 4.23Å; I22-L34 HydrophobicContact CD1-CD1 3.93Å; I22-M65 HydrophobicContact CD1-CB 4.13Å; I22-M65 HydrophobicContact CD1-SD 3.96Å; I22-M65 HydrophobicContact CG1-CB 4.47Å; I22-W66 PolarHBondContact N-O 3.4Å; I22-I68 PolarHBondContact O-N 3.07Å; I22-I68 VanDerWaalsContact O-N 3.11Å; I22-I89 WeakPolarHBondContact CA-O 3.45Å; I22-I89 HydrophobicContact CG1-CB 4.28Å; I22-I89 HydrophobicContact CG1-CD1 4.29Å; I22-I89 HydrophobicContact CG2-CB 4.3Å; I22-I89 HydrophobicContact CG2-CG2 4.19Å; I22-V91 HydrophobicContact CG2-CG2 3.83Å
23V98.3Very high88.5Confident0 Ų037.2 Ų37.20%019%0.191CC..EExtended strand (participates in β ladder)trans-133.4166.3-172.4-67.40000110.4I21 I68 W78 I88 I89 L90 V91 M110I21-V23 HydrophobicContact CB-CG1 4.42Å; I21-V23 HydrophobicContact CD1-CG1 4.23Å; I21-V23 HydrophobicContact CG1-CG1 4.24Å; V23-I68 HydrophobicContact CG1-CB 4.49Å; V23-I68 HydrophobicContact CG1-CD1 3.9Å; V23-W78 HydrophobicContact CB-CD2 4.4Å; V23-W78 HydrophobicContact CB-CE3 4.12Å; V23-W78 HydrophobicContact CB-CH2 4.04Å; V23-W78 HydrophobicContact CB-CZ2 4.29Å; V23-W78 HydrophobicContact CB-CZ3 3.93Å; V23-W78 HydrophobicContact CG1-CD2 4.08Å; V23-W78 HydrophobicContact CG1-CE3 4.1Å; V23-W78 HydrophobicContact CG1-CZ3 4.42Å; V23-I88 HydrophobicContact CG2-CG2 3.68Å; V23-I89 PolarHBondContact N-O 2.78Å; V23-L90 HydrophobicContact CG2-CD1 4.34Å; V23-L90 WeakPolarHBondContact O-CA 3.39Å; V23-V91 PolarHBondContact O-N 2.77Å; V23-M110 HydrophobicContact CB-SD 4.33Å; V23-M110 HydrophobicContact CG1-SD 4.36Å; V23-M110 HydrophobicContact CG2-CE 3.73Å; V23-M110 HydrophobicContact CG2-SD 3.78Å
24G97.9Very high90.6Very high1 Ų129.7 Ų29.71%0.0116%0.158CC..  trans136.7164.6-171.400000111.1K30 G70G24-K30 WeakPolarHBondContact O-CE 3.3Å; G24-K30 PolarHBondContact O-NZ 2.93Å; G24-G70 WeakPolarHBondContact O-CA 3.27Å
25L97.6Very high92.6Very high8 Ų830 Ų304%0.04215%0.152CC..  trans-63.5162.2-174-49.2-175.2000111.6A28 K30 R99 I102L25-A28 VanDerWaalsContact O-CB 3.26Å; L25-A28 WeakPolarHBondContact O-CB 3.38Å; L25-A28 PolarHBondContact O-N 3.31Å; L25-K30 PolarHBondContact O-NZ 3.35Å; L25-R99 HydrophobicContact CD1-CB 3.54Å; L25-I102 HydrophobicContact CD1-CB 4.24Å; L25-I102 HydrophobicContact CD1-CG2 4.48Å; L25-I102 HydrophobicContact CD2-CB 4.32Å; L25-I102 HydrophobicContact CD2-CG2 3.77Å
26D94.8Very high94.4Very high42 Ų4225.9 Ų25.923%0.22513%0.13CC..THydrogen-bonded Turntrans-51.7145.4166.754.2-77.8000110.7A28 G70 Q71 R75 R99D26-A28 PolarHBondContact O-N 3.33Å; D26-A28 VanDerWaalsContact O-N 3.09Å; D26-G70 PolarHBondContact N-O 2.92Å; D26-G70 VanDerWaalsContact N-O 3.13Å; D26-Q71 HydrophobicContact CB-CG 4.19Å; D26-R75 IonicContact OD1-NH2 3.82Å; D26-R75 PolarHBondContact OD1-NH2 2.92Å; D26-R99 IonicContact OD1-NH1 3.85Å; D26-R99 PolarHBondContact OD1-NH1 3.06Å; D26-R99 IonicContact OD2-CZ 3.89Å; D26-R99 IonicContact OD2-NH1 3.11Å; D26-R99 PolarHBondContact OD2-NH1 3.32Å; D26-R99 IonicContact OD2-NH2 3.68Å
27N94.8Very high95.3Very high114 Ų11424.1 Ų24.161%0.6112%0.121SC*.THydrogen-bonded Turntrans63.74.4-177-162.336000116.4G29 K127N27-G29 PolarHBondContact O-N 3.28Å; N27-K127 WeakPolarHBondContact O-CE 3.39Å; N27-K127 PolarHBondContact O-NZ 3Å
28A97.5Very high95.3Very high2 Ų221.3 Ų21.32%0.01711%0.11CC..SBendtrans-67.1-18.3177.500000114.4L25 D26 V91 N126L25-A28 VanDerWaalsContact O-CB 3.26Å; L25-A28 WeakPolarHBondContact O-CB 3.38Å; L25-A28 PolarHBondContact O-N 3.31Å; D26-A28 PolarHBondContact O-N 3.33Å; D26-A28 VanDerWaalsContact O-N 3.09Å; A28-V91 HydrophobicContact CB-CB 4.31Å; A28-V91 HydrophobicContact CB-CG1 4.08Å; A28-V91 WeakPolarHBondContact CB-O 3.32Å; A28-V91 VanDerWaalsContact O-CG1 3.26Å; A28-V91 WeakPolarHBondContact O-CG1 3.38Å; A28-N126 PolarHBondContact O-ND2 3.11Å
29G97.1Very high94.8Very high13 Ų1325.4 Ų25.413%0.13413%0.13CC..SBendtrans98.921.3179.100000115.4N27 T32 I33N27-G29 PolarHBondContact O-N 3.28Å; G29-T32 PolarHBondContact O-N 3.45Å; G29-I33 WeakPolarHBondContact O-CG1 3.45Å; G29-I33 PolarHBondContact O-N 2.96Å
30K97.2Very high93.9Very high12 Ų1229.7 Ų29.75%0.05216%0.155CC..Hα-helixtrans-55.5-55.6-179.7-60.2-175.9-61.7-67.90113.3I22 G24 L25 T32 I33 L34 D67 I68 V91I22-K30 HydrophobicContact CG2-CB 3.79Å; I22-K30 HydrophobicContact CG2-CD 4.3Å; I22-K30 HydrophobicContact CG2-CG 4Å; G24-K30 WeakPolarHBondContact O-CE 3.3Å; G24-K30 PolarHBondContact O-NZ 2.93Å; L25-K30 PolarHBondContact O-NZ 3.35Å; K30-T32 VanDerWaalsContact C-N 3.32Å; K30-T32 PolarHBondContact O-N 3.47Å; K30-I33 WeakPolarHBondContact O-CB 3.47Å; K30-I33 PolarHBondContact O-N 3.16Å; K30-L34 PolarHBondContact O-N 3.46Å; K30-D67 WeakPolarHBondContact CB-OD1 3.35Å; K30-I68 WeakPolarHBondContact CE-O 3.48Å; K30-V91 HydrophobicContact CB-CG2 4.43Å; K30-V91 HydrophobicContact CG-CB 3.83Å; K30-V91 HydrophobicContact CG-CG2 3.83Å
31T94.9Very high92.2Very high18 Ų1836.1 Ų36.111%0.1119%0.185CC..Hα-helixtrans-64.6-36.9-179.8-39.90000111.9L34 Y35 T45 T48 D67T31-L34 PolarHBondContact O-N 3.45Å; T31-Y35 HydrophobicContact CG2-CD2 3.84Å; T31-Y35 HydrophobicContact CG2-CE2 3.57Å; T31-Y35 VanDerWaalsContact O-CD2 3.3Å; T31-Y35 WeakPolarHBondContact O-CD2 3.45Å; T31-Y35 PolarHBondContact O-N 2.76Å; T31-T45 HydrophobicContact CG2-CG2 3.71Å; T31-T48 PolarHBondContact OG1-OG1 2.83Å; T31-D67 WeakPolarHBondContact CB-OD2 3.44Å; T31-D67 PolarHBondContact OG1-OD2 3.34Å
32T95.6Very high90.5Very high16 Ų1639.2 Ų39.210%0.09820%0.204CC..Hα-helixtrans-62.3-43.2174.2-45.30000111.3G29 K30 Y35 Q36 T45 A160 L161G29-T32 PolarHBondContact O-N 3.45Å; K30-T32 VanDerWaalsContact C-N 3.32Å; K30-T32 PolarHBondContact O-N 3.47Å; T32-Y35 PolarHBondContact O-N 3.24Å; T32-Q36 VanDerWaalsContact O-CB 3.27Å; T32-Q36 WeakPolarHBondContact O-CB 3.45Å; T32-Q36 PolarHBondContact O-N 3.26Å; T32-T45 PolarHBondContact OG1-OG1 2.99Å; T32-A160 HydrophobicContact CG2-CB 3.79Å; T32-L161 HydrophobicContact CG2-CD2 4.09Å
33I96.4Very high89.1Confident0 Ų041.4 Ų41.40%022%0.217CC..Hα-helixtrans-61.9-44.5174.7-71.6174.7000111G29 K30 Y35 Q36 F37 V91 F124 A160 L166G29-I33 WeakPolarHBondContact O-CG1 3.45Å; G29-I33 PolarHBondContact O-N 2.96Å; K30-I33 WeakPolarHBondContact O-CB 3.47Å; K30-I33 PolarHBondContact O-N 3.16Å; I33-Y35 PolarHBondContact O-N 3.15Å; I33-Q36 PolarHBondContact O-N 2.74Å; I33-F37 HydrophobicContact CG2-CD2 3.99Å; I33-F37 HydrophobicContact CG2-CE1 4.45Å; I33-F37 HydrophobicContact CG2-CE2 3.4Å; I33-F37 HydrophobicContact CG2-CZ 3.67Å; I33-F37 WeakPolarHBondContact O-CD2 3.49Å; I33-F37 WeakPolarHBondContact O-CG 3.18Å; I33-F37 PolarHBondContact O-N 3.21Å; I33-V91 HydrophobicContact CD1-CG1 3.73Å; I33-V91 HydrophobicContact CD1-CG2 3.91Å; I33-F124 HydrophobicContact CD1-CB 4.16Å; I33-F124 HydrophobicContact CD1-CD2 3.96Å; I33-F124 HydrophobicContact CD1-CG 4.18Å; I33-F124 HydrophobicContact CG2-CD2 4.43Å; I33-F124 HydrophobicContact CG2-CE2 4.24Å; I33-A160 HydrophobicContact CD1-CB 4.45Å; I33-A160 HydrophobicContact CG1-CB 3.58Å; I33-L166 HydrophobicContact CD1-CD2 4.13Å; I33-L166 HydrophobicContact CG1-CD1 4.44Å; I33-L166 HydrophobicContact CG1-CD2 3.98Å; I33-L166 HydrophobicContact CG2-CD1 4.43Å; I33-L166 HydrophobicContact CG2-CD2 4.16Å
34L94.9Very high87.9Confident0 Ų050.1 Ų50.10%026%0.257CS..Hα-helixtrans-57.9-48.8177.8-176.166.7000111.7I22 K30 T31 Q36 F37 L38 E54 I56 M65 D67I22-L34 HydrophobicContact CD1-CB 4.23Å; I22-L34 HydrophobicContact CD1-CD1 3.93Å; K30-L34 PolarHBondContact O-N 3.46Å; T31-L34 PolarHBondContact O-N 3.45Å; L34-Q36 VanDerWaalsContact C-N 3.35Å; L34-F37 WeakPolarHBondContact O-CB 3.39Å; L34-F37 PolarHBondContact O-N 3.11Å; L34-L38 HydrophobicContact CG-CD1 4.45Å; L34-L38 PolarHBondContact O-N 2.84Å; L34-L38 VanDerWaalsContact O-N 3.15Å; L34-E54 HydrophobicContact CD1-CB 4.14Å; L34-E54 HydrophobicContact CD2-CB 4.18Å; L34-E54 HydrophobicContact CD2-CG 3.72Å; L34-E54 HydrophobicContact CG-CB 4.36Å; L34-E54 HydrophobicContact CG-CG 4.26Å; L34-I56 HydrophobicContact CD1-CD1 4.32Å; L34-I56 HydrophobicContact CD1-CG1 4.45Å; L34-M65 HydrophobicContact CD1-CB 3.68Å; L34-M65 HydrophobicContact CD1-CG 4.32Å; L34-M65 HydrophobicContact CD1-SD 3.85Å; L34-D67 HydrophobicContact CD2-CB 3.89Å
35Y92.1Very high86.8Confident53 Ų5352.7 Ų52.721%0.20827%0.273CS..Hα-helixtrans-70.1-31.9178.6-75.4-57.1000113.1T31 T32 I33 F37 L38 M39 V43 T45T31-Y35 HydrophobicContact CG2-CD2 3.84Å; T31-Y35 HydrophobicContact CG2-CE2 3.57Å; T31-Y35 VanDerWaalsContact O-CD2 3.3Å; T31-Y35 WeakPolarHBondContact O-CD2 3.45Å; T31-Y35 PolarHBondContact O-N 2.76Å; T32-Y35 PolarHBondContact O-N 3.24Å; I33-Y35 PolarHBondContact O-N 3.15Å; Y35-F37 PolarHBondContact O-N 3.35Å; Y35-L38 HydrophobicContact CD1-CD1 3.77Å; Y35-L38 HydrophobicContact CE1-CD1 4.03Å; Y35-L38 PolarHBondContact O-N 3.16Å; Y35-L38 VanDerWaalsContact O-N 3.14Å; Y35-M39 HydrophobicContact CD1-CE 3.91Å; Y35-M39 HydrophobicContact CD1-SD 4.24Å; Y35-M39 HydrophobicContact CE1-CE 4.13Å; Y35-M39 PolarHBondContact O-N 3.07Å; Y35-V43 HydrophobicContact CD2-CB 4.13Å; Y35-V43 HydrophobicContact CD2-CG1 4.28Å; Y35-V43 HydrophobicContact CD2-CG2 4.48Å; Y35-V43 HydrophobicContact CG-CB 4.17Å; Y35-V43 HydrophobicContact CG-CG2 4.04Å; Y35-T45 HydrophobicContact CD2-CG2 3.96Å; Y35-T45 HydrophobicContact CE2-CG2 4.22Å
36Q93.4Very high85.8Confident13 Ų1357.2 Ų57.26%0.06131%0.306CS..Hα-helixtrans-62.4-35.6172.7-167.563.231.600111.2T32 I33 L34 N40 E41 A160 L166T32-Q36 VanDerWaalsContact O-CB 3.27Å; T32-Q36 WeakPolarHBondContact O-CB 3.45Å; T32-Q36 PolarHBondContact O-N 3.26Å; I33-Q36 PolarHBondContact O-N 2.74Å; L34-Q36 VanDerWaalsContact C-N 3.35Å; Q36-N40 WeakPolarHBondContact O-CA 3.36Å; Q36-N40 PolarHBondContact O-N 3.13Å; Q36-N40 VanDerWaalsContact O-N 3.15Å; Q36-E41 VanDerWaalsContact OE1-C 3.3Å; Q36-E41 PolarHBondContact OE1-O 3.35Å; Q36-A160 PolarHBondContact OE1-O 3.21Å; Q36-L166 HydrophobicContact CB-CD1 3.8Å; Q36-L166 HydrophobicContact CG-CD1 3.53Å
37F89.3Confident84.9Confident34 Ų3459.6 Ų59.615%0.14932%0.323CS..Hα-helixtrans-68.3-37.6172.2-65.3-37.6000113.5I33 L34 Y35 I56 M65 F124 L166 L170I33-F37 HydrophobicContact CG2-CD2 3.99Å; I33-F37 HydrophobicContact CG2-CE1 4.45Å; I33-F37 HydrophobicContact CG2-CE2 3.4Å; I33-F37 HydrophobicContact CG2-CZ 3.67Å; I33-F37 WeakPolarHBondContact O-CD2 3.49Å; I33-F37 WeakPolarHBondContact O-CG 3.18Å; I33-F37 PolarHBondContact O-N 3.21Å; L34-F37 WeakPolarHBondContact O-CB 3.39Å; L34-F37 PolarHBondContact O-N 3.11Å; Y35-F37 PolarHBondContact O-N 3.35Å; F37-I56 HydrophobicContact CB-CD1 3.83Å; F37-I56 HydrophobicContact CB-CG1 4.12Å; F37-I56 HydrophobicContact CB-CG2 4.04Å; F37-M65 HydrophobicContact CD2-CE 4.06Å; F37-M65 HydrophobicContact CD2-SD 3.91Å; F37-M65 HydrophobicContact CE2-CE 4.16Å; F37-M65 HydrophobicContact CE2-SD 4.21Å; F37-F124 AromaticContact CZ-CE2 3.97Å; F37-F124 HydrophobicContact CZ-CE2 3.97Å; F37-F124 HydrophobicContact CZ-CZ 4.1Å; F37-L166 HydrophobicContact CD1-CB 4.48Å; F37-L166 HydrophobicContact CE1-CB 3.71Å; F37-L166 HydrophobicContact CE1-CD1 4.26Å; F37-L166 HydrophobicContact CE1-CG 4.46Å; F37-L166 HydrophobicContact CZ-CB 4.41Å; F37-L170 HydrophobicContact CD1-CD1 3.39Å; F37-L170 HydrophobicContact CD1-CG 4.08Å; F37-L170 HydrophobicContact CE1-CD1 3.22Å; F37-L170 HydrophobicContact CE1-CD2 3.99Å; F37-L170 HydrophobicContact CE1-CG 3.41Å; F37-L170 VanDerWaalsContact CE1-CG 3.41Å; F37-L170 HydrophobicContact CE2-CD2 4.08Å; F37-L170 HydrophobicContact CE2-CG 4.4Å; F37-L170 HydrophobicContact CG-CD1 4.14Å; F37-L170 HydrophobicContact CZ-CD1 3.92Å; F37-L170 HydrophobicContact CZ-CD2 3.75Å; F37-L170 HydrophobicContact CZ-CG 3.63Å
38L86.4Confident84Confident61 Ų6155.4 Ų55.432%0.31930%0.302SS..Hα-helixtrans-74.9-47.9-177.4-75.7167.3000113.5L34 Y35 E54 I56L34-L38 HydrophobicContact CG-CD1 4.45Å; L34-L38 PolarHBondContact O-N 2.84Å; L34-L38 VanDerWaalsContact O-N 3.15Å; Y35-L38 HydrophobicContact CD1-CD1 3.77Å; Y35-L38 HydrophobicContact CE1-CD1 4.03Å; Y35-L38 PolarHBondContact O-N 3.16Å; Y35-L38 VanDerWaalsContact O-N 3.14Å; L38-E54 HydrophobicContact CD1-CB 3.92Å; L38-E54 HydrophobicContact CD1-CG 3.75Å; L38-E54 HydrophobicContact CD2-CB 4.32Å; L38-I56 HydrophobicContact CB-CD1 4.41Å; L38-I56 HydrophobicContact CD1-CD1 4.44Å; L38-I56 HydrophobicContact CD2-CD1 3.3Å; L38-I56 HydrophobicContact CG-CD1 3.41Å; L38-I56 VanDerWaalsContact CG-CD1 3.41Å
39M82.7Confident83.2Confident102 Ų10262.4 Ų62.450%0.50234%0.337SS..Hα-helixtrans-112.6-12.6-162.6-59.7179.1-179.600112.2Y35 E41 V43Y35-M39 HydrophobicContact CD1-CE 3.91Å; Y35-M39 HydrophobicContact CD1-SD 4.24Å; Y35-M39 HydrophobicContact CE1-CE 4.13Å; Y35-M39 PolarHBondContact O-N 3.07Å; M39-E41 HydrophobicContact CB-CB 4.18Å; M39-E41 PolarHBondContact O-N 3.36Å; M39-E41 VanDerWaalsContact O-N 3.13Å; M39-V43 HydrophobicContact SD-CG2 3.98Å
40N75.9Confident82.7Confident134 Ų13463.2 Ų63.272%0.71735%0.346SS*.SBendtrans51.826.5-167.6-161.647.6000112.7Q36Q36-N40 WeakPolarHBondContact O-CA 3.36Å; Q36-N40 PolarHBondContact O-N 3.13Å; Q36-N40 VanDerWaalsContact O-N 3.15Å
41E63.7Low82.3Confident136 Ų13664.7 Ų64.764%0.63636%0.358SS*.SBendtrans-133.9151.1-177.7-73.6-172.517500110.3Q36 M39 V43Q36-E41 VanDerWaalsContact OE1-C 3.3Å; Q36-E41 PolarHBondContact OE1-O 3.35Å; M39-E41 HydrophobicContact CB-CB 4.18Å; M39-E41 PolarHBondContact O-N 3.36Å; M39-E41 VanDerWaalsContact O-N 3.13Å; E41-V43 PolarHBondContact O-N 3.24Å
42V62.4Low82Confident64 Ų6466.2 Ų66.239%0.38837%0.365SS..PPolyproline II helixtrans-80.7116178.3-175.10000110L161V42-L161 HydrophobicContact CG1-CD2 3.57Å; V42-L161 HydrophobicContact CG2-CB 4.46Å; V42-L161 WeakPolarHBondContact CG2-O 3.26Å
43V69.4Low81.7Confident47 Ų4767.8 Ų67.829%0.28538%0.375SS..PPolyproline II helixtrans-99.6124.8169.9-176.10000108.9Y35 M39 E41 T45Y35-V43 HydrophobicContact CD2-CB 4.13Å; Y35-V43 HydrophobicContact CD2-CG1 4.28Å; Y35-V43 HydrophobicContact CD2-CG2 4.48Å; Y35-V43 HydrophobicContact CG-CB 4.17Å; Y35-V43 HydrophobicContact CG-CG2 4.04Å; M39-V43 HydrophobicContact SD-CG2 3.98Å; E41-V43 PolarHBondContact O-N 3.24Å; V43-T45 HydrophobicContact CB-CG2 4.49Å; V43-T45 HydrophobicContact CG1-CG2 4.24Å; V43-T45 PolarHBondContact O-N 3.33Å
44H72.3Confident81.5Confident182 Ų18270.5 Ų70.584%0.84339%0.387SS*.PPolyproline II helixtrans-69.4121.6167.6-77.1-67.2000109.4
45T75Confident81.3Confident56 Ų5675 Ų7534%0.34441%0.408SS..  trans-118.9141.9-173.556.30000111.8T31 T32 Y35 V43T31-T45 HydrophobicContact CG2-CG2 3.71Å; T32-T45 PolarHBondContact OG1-OG1 2.99Å; Y35-T45 HydrophobicContact CD2-CG2 3.96Å; Y35-T45 HydrophobicContact CE2-CG2 4.22Å; V43-T45 HydrophobicContact CB-CG2 4.49Å; V43-T45 HydrophobicContact CG1-CG2 4.24Å; V43-T45 PolarHBondContact O-N 3.33Å
46S76.9Confident81.2Confident103 Ų10372.8 Ų72.872%0.7240%0.4SS*.PPolyproline II helixtrans-86162.2163.7-66.40000110.6T48S46-T48 PolarHBondContact O-N 3.13Å
47P75.6Confident81Confident92 Ų9275.9 Ų75.960%0.59742%0.42SS*.PPolyproline II helixtrans-55.1127.6175.3-25.934.9000112.6
48T76.1Confident80.8Confident26 Ų2675.4 Ų75.416%0.1642%0.419CS..PPolyproline II helixtrans-64132.9176.5-48.30000111.3T31 S46 D67 Q71T31-T48 PolarHBondContact OG1-OG1 2.83Å; S46-T48 PolarHBondContact O-N 3.13Å; T48-D67 PolarHBondContact OG1-OD2 3.49Å; T48-D67 VanDerWaalsContact OG1-OD2 3.12Å; T48-Q71 PolarHBondContact O-NE2 2.84Å
49I80.1Confident80.7Confident148 Ų14879.6 Ų79.676%0.75944%0.435SS*.SBendtrans-102.4119.3169.9-58.6176000107.3
50G86.8Confident80.7Confident31 Ų3181.5 Ų81.532%0.3245%0.447SS..SBendtrans78.4-121.5-176.300000112.4G69G50-G69 PolarHBondContact O-N 2.84Å
51S87.6Confident81.2Confident43 Ų4376.3 Ų76.330%0.30142%0.421SS..EExtended strand (participates in β ladder)trans-143148-179.6600000113.1D67 Y81S51-D67 CarbonylContact C-O 3.56Å; S51-D67 WeakPolarHBondContact CA-O 3.11Å; S51-Y81 WeakPolarHBondContact CB-OH 3.19Å; S51-Y81 PolarHBondContact OG-OH 2.84Å
52N88.4Confident82.4Confident50 Ų5071.5 Ų71.527%0.26740%0.398SS..EExtended strand (participates in β ladder)trans-112.5151.1165.3-168.747.6000110.5E54 W66 D67N52-E54 VanDerWaalsContact ND2-CG 3.32Å; N52-E54 WeakPolarHBondContact ND2-CG 3.39Å; N52-E54 PolarHBondContact ND2-OE1 3.06Å; N52-W66 CarbonylContact O-C 3.51Å; N52-W66 WeakPolarHBondContact O-CA 3.44Å; N52-D67 PolarHBondContact N-O 3.02Å; N52-D67 PolarHBondContact O-N 3.11Å
53V91.3Very high83.9Confident48 Ų4868.5 Ų68.529%0.29138%0.38SS..EExtended strand (participates in β ladder)trans-129.4127.9177.8-168.90000110.1L64 M65 W66V53-L64 HydrophobicContact CG1-CD1 3.59Å; V53-L64 HydrophobicContact CG1-CD2 4.38Å; V53-L64 HydrophobicContact CG1-CG 3.78Å; V53-M65 WeakPolarHBondContact CA-O 3.27Å; V53-W66 HydrophobicContact CB-CD2 4.45Å; V53-W66 HydrophobicContact CG1-CD2 4.29Å; V53-W66 HydrophobicContact CG1-CZ2 4.3Å; V53-W66 HydrophobicContact CG2-CD2 3.38Å; V53-W66 HydrophobicContact CG2-CE3 3.17Å; V53-W66 HydrophobicContact CG2-CG 4.14Å; V53-W66 HydrophobicContact CG2-CH2 3.55Å; V53-W66 HydrophobicContact CG2-CZ2 3.72Å; V53-W66 HydrophobicContact CG2-CZ3 3.26Å
54E92.1Very high85.1Confident58 Ų5868.6 Ų68.627%0.27138%0.379SS..EExtended strand (participates in β ladder)trans-137.7150.3178-58.4-71.217500110.1L34 L38 N52 M65L34-E54 HydrophobicContact CD1-CB 4.14Å; L34-E54 HydrophobicContact CD2-CB 4.18Å; L34-E54 HydrophobicContact CD2-CG 3.72Å; L34-E54 HydrophobicContact CG-CB 4.36Å; L34-E54 HydrophobicContact CG-CG 4.26Å; L38-E54 HydrophobicContact CD1-CB 3.92Å; L38-E54 HydrophobicContact CD1-CG 3.75Å; L38-E54 HydrophobicContact CD2-CB 4.32Å; N52-E54 VanDerWaalsContact ND2-CG 3.32Å; N52-E54 WeakPolarHBondContact ND2-CG 3.39Å; N52-E54 PolarHBondContact ND2-OE1 3.06Å; E54-M65 PolarHBondContact N-O 2.9Å; E54-M65 VanDerWaalsContact N-O 3.09Å; E54-M65 PolarHBondContact O-N 3.15Å
55E90.8Very high86.3Confident93 Ų9360 Ų6044%0.43534%0.338SS..EExtended strand (participates in β ladder)trans-97.3124.4174.6-173.7-177-175.200110.2H62 F63E55-H62 IonicContact OE1-CE1 3.6Å; E55-H62 IonicContact OE1-CG 3.79Å; E55-H62 IonicContact OE1-ND1 2.74Å; E55-H62 PolarHBondContact OE1-ND1 2.95Å; E55-F63 WeakPolarHBondContact CA-O 3.33Å
56I89.7Confident87.3Confident8 Ų860.4 Ų60.44%0.04133%0.334CS..EExtended strand (participates in β ladder)trans-112.2126.3173-48.5-57.9000109.2L34 F37 L38 V58 F63 M65L34-I56 HydrophobicContact CD1-CD1 4.32Å; L34-I56 HydrophobicContact CD1-CG1 4.45Å; F37-I56 HydrophobicContact CB-CD1 3.83Å; F37-I56 HydrophobicContact CB-CG1 4.12Å; F37-I56 HydrophobicContact CB-CG2 4.04Å; L38-I56 HydrophobicContact CB-CD1 4.41Å; L38-I56 HydrophobicContact CD1-CD1 4.44Å; L38-I56 HydrophobicContact CD2-CD1 3.3Å; L38-I56 HydrophobicContact CG-CD1 3.41Å; L38-I56 VanDerWaalsContact CG-CD1 3.41Å; I56-V58 HydrophobicContact CG2-CG2 3.94Å; I56-F63 HydrophobicContact CB-CB 4.49Å; I56-F63 PolarHBondContact N-O 2.69Å; I56-F63 PolarHBondContact O-N 3.46Å; I56-M65 HydrophobicContact CB-CE 3.94Å; I56-M65 HydrophobicContact CB-SD 4.42Å; I56-M65 HydrophobicContact CG1-CE 3.71Å; I56-M65 HydrophobicContact CG1-CG 4.05Å; I56-M65 HydrophobicContact CG1-SD 3.56Å; I56-M65 VanDerWaalsContact CG1-SD 3.56Å; I56-M65 HydrophobicContact CG2-CE 4.43Å
57V87.6Confident88.1Confident77 Ų7755.5 Ų55.547%0.46730%0.3SS..EExtended strand (participates in β ladder)trans-103.8112.7174.5-173.80000109.3
58V86.3Confident89Confident24 Ų2451.2 Ų51.215%0.14527%0.271CS..EExtended strand (participates in β ladder)trans-110.1112.2174.8-172.80000108.2I56 N60 T61 F63 L170I56-V58 HydrophobicContact CG2-CG2 3.94Å; V58-N60 PolarHBondContact O-N 2.74Å; V58-N60 VanDerWaalsContact O-N 3.08Å; V58-T61 PolarHBondContact N-O 3.08Å; V58-T61 PolarHBondContact O-N 3.36Å; V58-F63 HydrophobicContact CB-CD2 4.48Å; V58-F63 HydrophobicContact CB-CE2 4.09Å; V58-F63 HydrophobicContact CG2-CD2 4.05Å; V58-F63 HydrophobicContact CG2-CE2 4.01Å; V58-L170 HydrophobicContact CG2-CB 4.44Å; V58-L170 HydrophobicContact CG2-CD1 3.75Å; V58-L170 HydrophobicContact CG2-CD2 4.16Å; V58-L170 HydrophobicContact CG2-CG 4.35Å
59K83.1Confident89.7Confident150 Ų15050 Ų5065%0.65226%0.264SS*.THydrogen-bonded Turntrans58-108-169.5-57.9170.7-178.5168.60109.6
60N83.6Confident90.2Very high141 Ų14143 Ų4375%0.75423%0.229SC*.THydrogen-bonded Turntrans-117.816.8176.6-62.4-21.5000111.9V58V58-N60 PolarHBondContact O-N 2.74Å; V58-N60 VanDerWaalsContact O-N 3.08Å
61T86.2Confident90.4Very high26 Ų2644.4 Ų44.416%0.1623%0.227CC..EExtended strand (participates in β ladder)trans-105.6123.9-179.6-55.30000109.3H18 V58 F63 A177H18-T61 VanDerWaalsContact CD2-CG2 3.45Å; H18-T61 WeakPolarHBondContact CD2-CG2 3.43Å; V58-T61 PolarHBondContact N-O 3.08Å; V58-T61 PolarHBondContact O-N 3.36Å; T61-F63 HydrophobicContact CG2-CD2 4.26Å; T61-F63 HydrophobicContact CG2-CE1 4.04Å; T61-F63 HydrophobicContact CG2-CE2 3.61Å; T61-F63 HydrophobicContact CG2-CZ 3.48Å; T61-F63 VanDerWaalsContact CG2-CZ 3.48Å; T61-A177 HydrophobicContact CG2-CB 3.93Å
62H90.1Very high90.5Very high34 Ų3449.8 Ų49.816%0.15725%0.248CC..EExtended strand (participates in β ladder)trans-96.1123.3-178.8-68.5-110.8000109.3E17 H18 E55E17-H62 HydrophobicContact CG-CB 4.37Å; H18-H62 PolarHBondContact N-O 2.84Å; E55-H62 IonicContact OE1-CE1 3.6Å; E55-H62 IonicContact OE1-CG 3.79Å; E55-H62 IonicContact OE1-ND1 2.74Å; E55-H62 PolarHBondContact OE1-ND1 2.95Å
63F93.4Very high90.5Very high1 Ų151.8 Ų51.80%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-114.4121.1176.4-64.6-78.4000109.8H18 V20 E55 I56 V58 T61 M65 F87 M173H18-F63 HydrophobicContact CB-CD1 3.7Å; H18-F63 HydrophobicContact CB-CE1 3.99Å; H18-F63 WeakPolarHBondContact O-CA 3.4Å; V20-F63 HydrophobicContact CG2-CB 3.99Å; V20-F63 HydrophobicContact CG2-CD1 3.62Å; V20-F63 HydrophobicContact CG2-CG 4.23Å; E55-F63 WeakPolarHBondContact CA-O 3.33Å; I56-F63 HydrophobicContact CB-CB 4.49Å; I56-F63 PolarHBondContact N-O 2.69Å; I56-F63 PolarHBondContact O-N 3.46Å; V58-F63 HydrophobicContact CB-CD2 4.48Å; V58-F63 HydrophobicContact CB-CE2 4.09Å; V58-F63 HydrophobicContact CG2-CD2 4.05Å; V58-F63 HydrophobicContact CG2-CE2 4.01Å; T61-F63 HydrophobicContact CG2-CD2 4.26Å; T61-F63 HydrophobicContact CG2-CE1 4.04Å; T61-F63 HydrophobicContact CG2-CE2 3.61Å; T61-F63 HydrophobicContact CG2-CZ 3.48Å; T61-F63 VanDerWaalsContact CG2-CZ 3.48Å; F63-M65 HydrophobicContact CB-CE 3.83Å; F63-M65 HydrophobicContact CB-CG 4.19Å; F63-M65 HydrophobicContact CG-CE 4.28Å; F63-F87 HydrophobicContact CE1-CD2 4.17Å; F63-F87 AromaticContact CE1-CE2 4Å; F63-F87 HydrophobicContact CE1-CE2 4Å; F63-M173 HydrophobicContact CD1-CE 3.93Å; F63-M173 HydrophobicContact CE1-CB 4.27Å; F63-M173 HydrophobicContact CE1-CE 3.82Å; F63-M173 HydrophobicContact CZ-CB 4.12Å; F63-M173 HydrophobicContact CZ-CE 4.47Å
64L94.8Very high90.3Very high50 Ų5051.1 Ų51.126%0.26226%0.26SS..EExtended strand (participates in β ladder)trans-93.1102171.8-169.269.5000108.6H18 V20 V53H18-L64 PolarHBondContact O-N 3Å; V20-L64 PolarHBondContact N-O 3.2Å; V53-L64 HydrophobicContact CG1-CD1 3.59Å; V53-L64 HydrophobicContact CG1-CD2 4.38Å; V53-L64 HydrophobicContact CG1-CG 3.78Å
65M95.8Very high90.3Very high0 Ų049.3 Ų49.30%025%0.251CS..EExtended strand (participates in β ladder)trans-98.5118.9-170.7-62.1-164.5-179.600111.8V20 I22 L34 F37 V53 E54 I56 F63 L170V20-M65 HydrophobicContact CB-CG 4.04Å; V20-M65 HydrophobicContact CG1-CG 4.41Å; V20-M65 HydrophobicContact CG2-CG 4.33Å; V20-M65 WeakPolarHBondContact O-CA 3.35Å; I22-M65 HydrophobicContact CD1-CB 4.13Å; I22-M65 HydrophobicContact CD1-SD 3.96Å; I22-M65 HydrophobicContact CG1-CB 4.47Å; L34-M65 HydrophobicContact CD1-CB 3.68Å; L34-M65 HydrophobicContact CD1-CG 4.32Å; L34-M65 HydrophobicContact CD1-SD 3.85Å; F37-M65 HydrophobicContact CD2-CE 4.06Å; F37-M65 HydrophobicContact CD2-SD 3.91Å; F37-M65 HydrophobicContact CE2-CE 4.16Å; F37-M65 HydrophobicContact CE2-SD 4.21Å; V53-M65 WeakPolarHBondContact CA-O 3.27Å; E54-M65 PolarHBondContact N-O 2.9Å; E54-M65 VanDerWaalsContact N-O 3.09Å; E54-M65 PolarHBondContact O-N 3.15Å; I56-M65 HydrophobicContact CB-CE 3.94Å; I56-M65 HydrophobicContact CB-SD 4.42Å; I56-M65 HydrophobicContact CG1-CE 3.71Å; I56-M65 HydrophobicContact CG1-CG 4.05Å; I56-M65 HydrophobicContact CG1-SD 3.56Å; I56-M65 VanDerWaalsContact CG1-SD 3.56Å; I56-M65 HydrophobicContact CG2-CE 4.43Å; F63-M65 HydrophobicContact CB-CE 3.83Å; F63-M65 HydrophobicContact CB-CG 4.19Å; F63-M65 HydrophobicContact CG-CE 4.28Å; M65-L170 HydrophobicContact CE-CD2 3.97Å
66W96.3Very high90.2Very high66 Ų6649.5 Ų49.525%0.2526%0.262CS..EExtended strand (participates in β ladder)trans-95.3103.9173.4-67.274.3000109.7V20 I21 I22 N52 V53 I68 Y81V20-W66 PolarHBondContact O-N 3.01Å; I21-W66 HydrophobicContact CG2-CB 4.4Å; I22-W66 PolarHBondContact N-O 3.4Å; N52-W66 CarbonylContact O-C 3.51Å; N52-W66 WeakPolarHBondContact O-CA 3.44Å; V53-W66 HydrophobicContact CB-CD2 4.45Å; V53-W66 HydrophobicContact CG1-CD2 4.29Å; V53-W66 HydrophobicContact CG1-CZ2 4.3Å; V53-W66 HydrophobicContact CG2-CD2 3.38Å; V53-W66 HydrophobicContact CG2-CE3 3.17Å; V53-W66 HydrophobicContact CG2-CG 4.14Å; V53-W66 HydrophobicContact CG2-CH2 3.55Å; V53-W66 HydrophobicContact CG2-CZ2 3.72Å; V53-W66 HydrophobicContact CG2-CZ3 3.26Å; W66-I68 HydrophobicContact CB-CG1 4.44Å; W66-Y81 AromaticContact CD2-CD1 3.93Å; W66-Y81 HydrophobicContact CD2-CD1 3.93Å; W66-Y81 HydrophobicContact CD2-CE1 4.28Å; W66-Y81 AromaticContact CE3-CD1 3.4Å; W66-Y81 HydrophobicContact CE3-CD1 3.4Å; W66-Y81 VanDerWaalsContact CE3-CD1 3.4Å; W66-Y81 AromaticContact CE3-CE1 3.3Å; W66-Y81 HydrophobicContact CE3-CE1 3.3Å; W66-Y81 HydrophobicContact CG-CD1 4.44Å; W66-Y81 AromaticContact CZ3-CD1 3.93Å; W66-Y81 HydrophobicContact CZ3-CD1 3.93Å; W66-Y81 AromaticContact CZ3-CE1 3.56Å; W66-Y81 HydrophobicContact CZ3-CE1 3.56Å
67D94.4Very high90.3Very high0 Ų051 Ų510%027%0.274CS..EExtended strand (participates in β ladder)trans-80.8116169.517442.3000109.7K30 T31 L34 T48 S51 N52K30-D67 WeakPolarHBondContact CB-OD1 3.35Å; T31-D67 WeakPolarHBondContact CB-OD2 3.44Å; T31-D67 PolarHBondContact OG1-OD2 3.34Å; L34-D67 HydrophobicContact CD2-CB 3.89Å; T48-D67 PolarHBondContact OG1-OD2 3.49Å; T48-D67 VanDerWaalsContact OG1-OD2 3.12Å; S51-D67 CarbonylContact C-O 3.56Å; S51-D67 WeakPolarHBondContact CA-O 3.11Å; N52-D67 PolarHBondContact N-O 3.02Å; N52-D67 PolarHBondContact O-N 3.11Å
68I94.1Very high90.6Very high1 Ų147.4 Ų47.41%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-109.1137.8-172-53168.1000109.9I21 I22 V23 K30 W66 G70 W78 Y81I21-I68 HydrophobicContact CB-CD1 4.01Å; I21-I68 HydrophobicContact CG2-CD1 4.21Å; I22-I68 PolarHBondContact O-N 3.07Å; I22-I68 VanDerWaalsContact O-N 3.11Å; V23-I68 HydrophobicContact CG1-CB 4.49Å; V23-I68 HydrophobicContact CG1-CD1 3.9Å; K30-I68 WeakPolarHBondContact CE-O 3.48Å; W66-I68 HydrophobicContact CB-CG1 4.44Å; I68-G70 PolarHBondContact O-N 2.8Å; I68-W78 HydrophobicContact CG2-CG 4.29Å; I68-Y81 HydrophobicContact CD1-CD1 4.4Å; I68-Y81 HydrophobicContact CD1-CD2 3.56Å; I68-Y81 HydrophobicContact CD1-CE2 4.26Å; I68-Y81 HydrophobicContact CD1-CG 3.64Å; I68-Y81 HydrophobicContact CG1-CD2 4.07Å; I68-Y81 HydrophobicContact CG1-CE2 4.29Å; I68-Y81 HydrophobicContact CG1-CG 4.24Å; I68-Y81 HydrophobicContact CG2-CD2 4.3Å; I68-Y81 HydrophobicContact CG2-CE2 4.06Å
69G90.9Very high91.1Very high0 Ų049.9 Ų49.90%026%0.264CS..  trans-52.9129.917600000113G50 W78G50-G69 PolarHBondContact O-N 2.84Å; G69-W78 PolarHBondContact O-NE1 2.88Å
70G91.1Very high91.7Very high3 Ų347.3 Ų47.33%0.03126%0.261CS..  trans-97.2-0.9-175.600000115.7G24 D26 I68 R75G24-G70 WeakPolarHBondContact O-CA 3.27Å; D26-G70 PolarHBondContact N-O 2.92Å; D26-G70 VanDerWaalsContact N-O 3.13Å; I68-G70 PolarHBondContact O-N 2.8Å; G70-R75 PolarHBondContact O-NE 3.3Å; G70-R75 PolarHBondContact O-NH2 3.47Å; G70-R75 VanDerWaalsContact O-NH2 3.13Å
71Q90.6Very high92.3Very high59 Ų5942.4 Ų42.428%0.27623%0.232SC..SBendtrans-64.6145.2-179.8-58.6168.122.600109.4D26 T48 S73 L74 R75D26-Q71 HydrophobicContact CB-CG 4.19Å; T48-Q71 PolarHBondContact O-NE2 2.84Å; Q71-S73 VanDerWaalsContact C-N 3.26Å; Q71-S73 PolarHBondContact O-N 2.98Å; Q71-L74 HydrophobicContact CB-CD1 4.18Å; Q71-L74 HydrophobicContact CB-CG 4.26Å; Q71-L74 HydrophobicContact CG-CD1 4.39Å; Q71-L74 WeakPolarHBondContact O-CA 3.26Å; Q71-L74 PolarHBondContact O-N 2.85Å; Q71-R75 WeakPolarHBondContact O-CG 3.07Å; Q71-R75 PolarHBondContact O-N 2.85Å
72E90.1Very high92.8Very high157 Ų15741.7 Ų41.773%0.73423%0.227SC*.Hα-helixtrans-50.2-45-176.5-175177.3176.900113.3L74 R75E72-L74 PolarHBondContact O-N 2.89Å; E72-L74 VanDerWaalsContact O-N 3.15Å; E72-R75 PolarHBondContact O-N 2.81Å
73S88.8Confident93Very high91 Ų9142.7 Ų42.764%0.63624%0.238SC*.Hα-helixtrans-63.7-18178.455.40000114.7Q71Q71-S73 VanDerWaalsContact C-N 3.26Å; Q71-S73 PolarHBondContact O-N 2.98Å
74L87.3Confident93Very high35 Ų3549 Ų4918%0.18327%0.271CS..Hα-helixtrans-102.1-13.8-178-59.6179.3000113Q71 E72 S76 S77Q71-L74 HydrophobicContact CB-CD1 4.18Å; Q71-L74 HydrophobicContact CB-CG 4.26Å; Q71-L74 HydrophobicContact CG-CD1 4.39Å; Q71-L74 WeakPolarHBondContact O-CA 3.26Å; Q71-L74 PolarHBondContact O-N 2.85Å; E72-L74 PolarHBondContact O-N 2.89Å; E72-L74 VanDerWaalsContact O-N 3.15Å; L74-S76 VanDerWaalsContact C-N 3.27Å; L74-S76 PolarHBondContact O-N 3.24Å; L74-S77 PolarHBondContact O-N 3.22Å; L74-S77 PolarHBondContact O-OG 3.01Å
75R91.1Very high93.1Very high20 Ų2046.9 Ų46.98%0.07526%0.261CS..Hα-helixtrans-66.1-30.1-175.4-61.4-176.8-163.81366.1113.1D26 G70 Q71 E72 S77 W78D26-R75 IonicContact OD1-NH2 3.82Å; D26-R75 PolarHBondContact OD1-NH2 2.92Å; G70-R75 PolarHBondContact O-NE 3.3Å; G70-R75 PolarHBondContact O-NH2 3.47Å; G70-R75 VanDerWaalsContact O-NH2 3.13Å; Q71-R75 WeakPolarHBondContact O-CG 3.07Å; Q71-R75 PolarHBondContact O-N 2.85Å; E72-R75 PolarHBondContact O-N 2.81Å; R75-S77 PolarHBondContact O-N 2.81Å; R75-W78 HydrophobicContact CB-CZ2 4.46Å; R75-W78 HydrophobicContact CG-CH2 4.38Å; R75-W78 HydrophobicContact CG-CZ2 3.83Å; R75-W78 WeakPolarHBondContact O-CB 3.41Å; R75-W78 PolarHBondContact O-N 2.85Å
76S89.4Confident93.2Very high96 Ų9648.3 Ų48.367%0.67127%0.267SS*.THydrogen-bonded Turntrans-64.2-20.3177.658.20000113.6L74 N79L74-S76 VanDerWaalsContact C-N 3.27Å; L74-S76 PolarHBondContact O-N 3.24Å; S76-N79 PolarHBondContact O-OD1 2.93Å; S76-N79 VanDerWaalsContact O-OD1 3.14Å
77S90.7Very high93.3Very high41 Ų4145.5 Ų45.529%0.28726%0.257SS..THydrogen-bonded Turntrans-94.8-2.3179.469.10000114.1L74 R75 N79 T80L74-S77 PolarHBondContact O-N 3.22Å; L74-S77 PolarHBondContact O-OG 3.01Å; R75-S77 PolarHBondContact O-N 2.81Å; S77-N79 PolarHBondContact O-N 3.45Å; S77-N79 VanDerWaalsContact O-N 3.16Å; S77-T80 WeakPolarHBondContact O-CB 3.32Å; S77-T80 WeakPolarHBondContact O-CG2 3.48Å; S77-T80 PolarHBondContact O-N 3.22Å; S77-T80 PolarHBondContact O-OG1 3.4Å
78W95.4Very high93.5Very high1 Ų145.5 Ų45.50%0.00426%0.257CS..G310 helixtrans-55.9-34.5178.7-726.3000112.5V23 I68 G69 R75 T80 Y81 Y82 E106 M110V23-W78 HydrophobicContact CB-CD2 4.4Å; V23-W78 HydrophobicContact CB-CE3 4.12Å; V23-W78 HydrophobicContact CB-CH2 4.04Å; V23-W78 HydrophobicContact CB-CZ2 4.29Å; V23-W78 HydrophobicContact CB-CZ3 3.93Å; V23-W78 HydrophobicContact CG1-CD2 4.08Å; V23-W78 HydrophobicContact CG1-CE3 4.1Å; V23-W78 HydrophobicContact CG1-CZ3 4.42Å; I68-W78 HydrophobicContact CG2-CG 4.29Å; G69-W78 PolarHBondContact O-NE1 2.88Å; R75-W78 HydrophobicContact CB-CZ2 4.46Å; R75-W78 HydrophobicContact CG-CH2 4.38Å; R75-W78 HydrophobicContact CG-CZ2 3.83Å; R75-W78 WeakPolarHBondContact O-CB 3.41Å; R75-W78 PolarHBondContact O-N 2.85Å; W78-T80 PolarHBondContact O-N 2.96Å; W78-T80 VanDerWaalsContact O-N 3.15Å; W78-Y81 PolarHBondContact O-N 2.91Å; W78-Y82 VanDerWaalsContact C-CE1 3.41Å; W78-Y82 HydrophobicContact CB-CE1 4.01Å; W78-Y82 WeakPolarHBondContact CB-OH 3.42Å; W78-Y82 VanDerWaalsContact O-CD1 3.28Å; W78-Y82 WeakPolarHBondContact O-CD1 3.12Å; W78-Y82 WeakPolarHBondContact O-CE1 3.38Å; W78-E106 HydrophobicContact CH2-CB 4.41Å; W78-E106 HydrophobicContact CH2-CG 4.49Å; W78-E106 HydrophobicContact CZ3-CB 3.87Å; W78-E106 HydrophobicContact CZ3-CG 4.27Å; W78-M110 HydrophobicContact CE3-CE 4.49Å; W78-M110 HydrophobicContact CE3-CG 4.37Å; W78-M110 HydrophobicContact CE3-SD 3.7Å; W78-M110 HydrophobicContact CZ3-CE 4.14Å; W78-M110 HydrophobicContact CZ3-SD 3.95Å
79N95.4Very high93.7Very high76 Ų7645.4 Ų45.441%0.40626%0.256SS..G310 helixtrans-59.8-25.5178.969.3-29000114.2S76 S77 Y81 Y82S76-N79 PolarHBondContact O-OD1 2.93Å; S76-N79 VanDerWaalsContact O-OD1 3.14Å; S77-N79 PolarHBondContact O-N 3.45Å; S77-N79 VanDerWaalsContact O-N 3.16Å; N79-Y81 PolarHBondContact O-N 3.25Å; N79-Y81 VanDerWaalsContact O-N 3.1Å; N79-Y82 VanDerWaalsContact CA-CE2 3.41Å; N79-Y82 VanDerWaalsContact CA-CZ 3.48Å; N79-Y82 HydrophobicContact CB-CD2 3.91Å; N79-Y82 HydrophobicContact CB-CE2 3.63Å; N79-Y82 PolarHBondContact O-N 3.2Å
80T95.5Very high94.1Very high96 Ų9645.5 Ų45.559%0.58926%0.257SS*.G310 helixtrans-62.5-17.4175.666.40000113S77 W78S77-T80 WeakPolarHBondContact O-CB 3.32Å; S77-T80 WeakPolarHBondContact O-CG2 3.48Å; S77-T80 PolarHBondContact O-N 3.22Å; S77-T80 PolarHBondContact O-OG1 3.4Å; W78-T80 PolarHBondContact O-N 2.96Å; W78-T80 VanDerWaalsContact O-N 3.15Å
81Y96.4Very high94.5Very high38 Ų3845.3 Ų45.315%0.14926%0.255CS..G310 helixtrans-101.1-7.1-179.2-57.7-85.7000113.7K19 S51 W66 I68 W78 N79 S83 T85K19-Y81 WeakPolarHBondContact CE-O 3.34Å; K19-Y81 PolarHBondContact NZ-O 3.4Å; S51-Y81 WeakPolarHBondContact CB-OH 3.19Å; S51-Y81 PolarHBondContact OG-OH 2.84Å; W66-Y81 AromaticContact CD2-CD1 3.93Å; W66-Y81 HydrophobicContact CD2-CD1 3.93Å; W66-Y81 HydrophobicContact CD2-CE1 4.28Å; W66-Y81 AromaticContact CE3-CD1 3.4Å; W66-Y81 HydrophobicContact CE3-CD1 3.4Å; W66-Y81 VanDerWaalsContact CE3-CD1 3.4Å; W66-Y81 AromaticContact CE3-CE1 3.3Å; W66-Y81 HydrophobicContact CE3-CE1 3.3Å; W66-Y81 HydrophobicContact CG-CD1 4.44Å; W66-Y81 AromaticContact CZ3-CD1 3.93Å; W66-Y81 HydrophobicContact CZ3-CD1 3.93Å; W66-Y81 AromaticContact CZ3-CE1 3.56Å; W66-Y81 HydrophobicContact CZ3-CE1 3.56Å; I68-Y81 HydrophobicContact CD1-CD1 4.4Å; I68-Y81 HydrophobicContact CD1-CD2 3.56Å; I68-Y81 HydrophobicContact CD1-CE2 4.26Å; I68-Y81 HydrophobicContact CD1-CG 3.64Å; I68-Y81 HydrophobicContact CG1-CD2 4.07Å; I68-Y81 HydrophobicContact CG1-CE2 4.29Å; I68-Y81 HydrophobicContact CG1-CG 4.24Å; I68-Y81 HydrophobicContact CG2-CD2 4.3Å; I68-Y81 HydrophobicContact CG2-CE2 4.06Å; W78-Y81 PolarHBondContact O-N 2.91Å; N79-Y81 PolarHBondContact O-N 3.25Å; N79-Y81 VanDerWaalsContact O-N 3.1Å; Y81-S83 PolarHBondContact O-N 2.87Å; Y81-T85 PolarHBondContact O-OG1 3.04Å
82Y97.4Very high94.8Very high11 Ų1142.6 Ų42.64%0.04324%0.243CC..  trans-69.3-36.7-168.9-67-7.8000114.5I21 W78 N79 N84 T85 M110 H113 L116I21-Y82 HydrophobicContact CD1-CD1 3.82Å; I21-Y82 HydrophobicContact CD1-CE1 3.96Å; W78-Y82 VanDerWaalsContact C-CE1 3.41Å; W78-Y82 HydrophobicContact CB-CE1 4.01Å; W78-Y82 WeakPolarHBondContact CB-OH 3.42Å; W78-Y82 VanDerWaalsContact O-CD1 3.28Å; W78-Y82 WeakPolarHBondContact O-CD1 3.12Å; W78-Y82 WeakPolarHBondContact O-CE1 3.38Å; N79-Y82 VanDerWaalsContact CA-CE2 3.41Å; N79-Y82 VanDerWaalsContact CA-CZ 3.48Å; N79-Y82 HydrophobicContact CB-CD2 3.91Å; N79-Y82 HydrophobicContact CB-CE2 3.63Å; N79-Y82 PolarHBondContact O-N 3.2Å; Y82-N84 PolarHBondContact O-N 3.17Å; Y82-T85 WeakPolarHBondContact O-CB 3.43Å; Y82-T85 PolarHBondContact O-N 3.27Å; Y82-T85 PolarHBondContact O-OG1 2.87Å; Y82-M110 HydrophobicContact CE1-CG 4.24Å; Y82-M110 HydrophobicContact CE1-SD 4.39Å; Y82-M110 VanDerWaalsContact OH-CG 3.29Å; Y82-M110 WeakPolarHBondContact OH-CG 3.47Å; Y82-H113 HydrophobicContact CD2-CB 3.83Å; Y82-H113 AromaticContact CD2-CD2 3.81Å; Y82-H113 AromaticContact CD2-CE1 3.98Å; Y82-H113 AromaticContact CD2-CG 3.48Å; Y82-H113 VanDerWaalsContact CD2-CG 3.48Å; Y82-H113 AromaticContact CD2-ND1 3.61Å; Y82-H113 HydrophobicContact CE2-CB 3.93Å; Y82-H113 AromaticContact CE2-CD2 3.94Å; Y82-H113 AromaticContact CE2-CG 3.85Å; Y82-L116 HydrophobicContact CD1-CD1 3.66Å; Y82-L116 HydrophobicContact CD1-CD2 4.15Å; Y82-L116 HydrophobicContact CD1-CG 4.13Å; Y82-L116 HydrophobicContact CD2-CD1 3.68Å; Y82-L116 HydrophobicContact CD2-CG 3.97Å; Y82-L116 HydrophobicContact CE1-CD1 3.87Å; Y82-L116 HydrophobicContact CE2-CD1 3.88Å; Y82-L116 HydrophobicContact CG-CD1 3.6Å; Y82-L116 HydrophobicContact CG-CD2 4.01Å; Y82-L116 HydrophobicContact CG-CG 3.71Å
83S95.1Very high95.3Very high55 Ų5535.8 Ų35.839%0.38521%0.211SC..THydrogen-bonded Turntrans-51.3128.8-177.6-171.40000112.1K19 Y81 T85K19-S83 PolarHBondContact NZ-O 2.92Å; Y81-S83 PolarHBondContact O-N 2.87Å; S83-T85 PolarHBondContact O-N 3.06Å
84N93.2Very high95.7Very high132 Ų13231.4 Ų31.471%0.70618%0.181SC*.THydrogen-bonded Turntrans61.515.7-177.3-53.5-50.4000115.8K19 Y82 E86K19-N84 WeakPolarHBondContact CB-O 3.4Å; Y82-N84 PolarHBondContact O-N 3.17Å; N84-E86 PolarHBondContact O-N 3Å
85T96.9Very high96.3Very high7 Ų732.4 Ų32.44%0.04319%0.188CC..  trans-71.5128.1175.6-63.10000110.6I21 Y81 Y82 S83 F87 I88 L116I21-T85 HydrophobicContact CB-CG2 4.43Å; I21-T85 HydrophobicContact CD1-CG2 4.12Å; I21-T85 HydrophobicContact CG1-CG2 3.89Å; I21-T85 HydrophobicContact CG2-CG2 4.02Å; Y81-T85 PolarHBondContact O-OG1 3.04Å; Y82-T85 WeakPolarHBondContact O-CB 3.43Å; Y82-T85 PolarHBondContact O-N 3.27Å; Y82-T85 PolarHBondContact O-OG1 2.87Å; S83-T85 PolarHBondContact O-N 3.06Å; T85-F87 WeakPolarHBondContact CG2-O 3.26Å; T85-I88 HydrophobicContact CG2-CG1 4.24Å; T85-L116 HydrophobicContact CG2-CD2 3.91Å
86E97.3Very high96.6Very high29 Ų2932.9 Ų32.914%0.13619%0.192CC..  trans-100-30.6178.6-57.1-165.5-168.900112.4H18 K19 N84 A119 A120 R180H18-E86 IonicContact CE1-OE2 2.7Å; H18-E86 IonicContact CG-OE2 3.57Å; H18-E86 IonicContact ND1-OE1 3.8Å; H18-E86 IonicContact ND1-OE2 3.56Å; H18-E86 PolarHBondContact ND1-OE2 3.14Å; K19-E86 PolarHBondContact O-N 2.76Å; N84-E86 PolarHBondContact O-N 3Å; E86-A119 CarbonylContact O-C 3.52Å; E86-A119 VanDerWaalsContact O-CA 3.26Å; E86-A119 WeakPolarHBondContact O-CA 3.47Å; E86-A120 PolarHBondContact O-N 3.09Å; E86-R180 IonicContact OE1-CZ 3.32Å; E86-R180 VanDerWaalsContact OE1-CZ 3.32Å; E86-R180 IonicContact OE1-NH1 2.74Å; E86-R180 PolarHBondContact OE1-NH1 2.87Å; E86-R180 IonicContact OE1-NH2 3.16Å; E86-R180 PolarHBondContact OE1-NH2 3.41Å; E86-R180 VanDerWaalsContact OE1-NH2 3.16Å; E86-R180 IonicContact OE2-CZ 3.09Å; E86-R180 IonicContact OE2-NE 3.83Å; E86-R180 IonicContact OE2-NH1 3.15Å; E86-R180 PolarHBondContact OE2-NH1 3.17Å; E86-R180 VanDerWaalsContact OE2-NH1 3.15Å; E86-R180 IonicContact OE2-NH2 2.99Å; E86-R180 PolarHBondContact OE2-NH2 3.29Å
87F98.3Very high97Very high7 Ų733.9 Ų33.93%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-133.2137.5179.7-60.9-85.6000111.3H18 K19 V20 I21 F63 T85 A120 M173 R176 A177H18-F87 HydrophobicContact CB-CD2 4.32Å; H18-F87 HydrophobicContact CB-CE2 4.14Å; K19-F87 PolarHBondContact O-N 3.1Å; V20-F87 WeakPolarHBondContact CA-O 3.39Å; V20-F87 HydrophobicContact CB-CB 4.43Å; V20-F87 HydrophobicContact CG1-CB 4.07Å; V20-F87 HydrophobicContact CG2-CB 4.08Å; V20-F87 HydrophobicContact CG2-CD2 4.32Å; I21-F87 PolarHBondContact N-O 2.82Å; F63-F87 HydrophobicContact CE1-CD2 4.17Å; F63-F87 AromaticContact CE1-CE2 4Å; F63-F87 HydrophobicContact CE1-CE2 4Å; T85-F87 WeakPolarHBondContact CG2-O 3.26Å; F87-A120 CarbonylContact C-O 3.51Å; F87-A120 WeakPolarHBondContact CA-O 3.27Å; F87-A120 HydrophobicContact CD1-CB 3.77Å; F87-A120 HydrophobicContact CE1-CB 3.87Å; F87-M173 HydrophobicContact CB-CE 3.65Å; F87-M173 HydrophobicContact CD1-CB 4.31Å; F87-M173 HydrophobicContact CD1-CE 4.1Å; F87-M173 HydrophobicContact CD1-CG 4.04Å; F87-M173 HydrophobicContact CD2-CE 4.09Å; F87-M173 HydrophobicContact CE1-CB 4.2Å; F87-M173 HydrophobicContact CE1-CG 4.36Å; F87-M173 HydrophobicContact CG-CE 3.69Å; F87-M173 WeakPolarHBondContact CZ-O 3.27Å; F87-R176 HydrophobicContact CE1-CB 3.78Å; F87-R176 HydrophobicContact CZ-CB 3.99Å; F87-A177 HydrophobicContact CE2-CB 4.39Å; F87-A177 HydrophobicContact CZ-CB 4.2Å
88I98.6Very high97.3Very high0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-109.3120.6169.5-54.2172.5000106.5I21 V23 T85 M110 L111 L116 A119 A120 V121 L122I21-I88 HydrophobicContact CD1-CG1 4.08Å; I21-I88 HydrophobicContact CD1-CG2 4.35Å; I21-I88 HydrophobicContact CG1-CB 4.3Å; I21-I88 HydrophobicContact CG1-CG1 4.09Å; I21-I88 HydrophobicContact CG1-CG2 4.12Å; V23-I88 HydrophobicContact CG2-CG2 3.68Å; T85-I88 HydrophobicContact CG2-CG1 4.24Å; I88-M110 HydrophobicContact CG2-CE 4.36Å; I88-L111 HydrophobicContact CD1-CD2 4.18Å; I88-L116 HydrophobicContact CD1-CB 4.41Å; I88-L116 HydrophobicContact CD1-CD1 3.76Å; I88-L116 HydrophobicContact CD1-CD2 4.05Å; I88-L116 HydrophobicContact CD1-CG 4.28Å; I88-L116 HydrophobicContact CG1-CD2 4.32Å; I88-A119 HydrophobicContact CD1-CB 4.08Å; I88-A119 HydrophobicContact CG1-CB 4.03Å; I88-A120 PolarHBondContact N-O 2.85Å; I88-V121 HydrophobicContact CD1-CG2 4.49Å; I88-V121 CarbonylContact O-C 3.56Å; I88-V121 WeakPolarHBondContact O-CA 3.41Å; I88-L122 PolarHBondContact O-N 3.13Å
89I98.8Very high97.4Very high0 Ų043.5 Ų43.50%022%0.219CC..EExtended strand (participates in β ladder)trans-97106.3165.8-59.9-179.4000107.3V20 I21 I22 V23 V91 L122 F124 M173V20-I89 HydrophobicContact CG1-CD1 3.77Å; V20-I89 HydrophobicContact CG1-CG1 3.74Å; I21-I89 PolarHBondContact O-N 3.11Å; I22-I89 WeakPolarHBondContact CA-O 3.45Å; I22-I89 HydrophobicContact CG1-CB 4.28Å; I22-I89 HydrophobicContact CG1-CD1 4.29Å; I22-I89 HydrophobicContact CG2-CB 4.3Å; I22-I89 HydrophobicContact CG2-CG2 4.19Å; V23-I89 PolarHBondContact N-O 2.78Å; I89-V91 HydrophobicContact CG2-CG2 3.98Å; I89-L122 CarbonylContact C-O 3.57Å; I89-L122 VanDerWaalsContact CA-O 3.31Å; I89-L122 WeakPolarHBondContact CA-O 3.35Å; I89-L122 HydrophobicContact CG1-CB 4.37Å; I89-L122 HydrophobicContact CG1-CD2 4.34Å; I89-F124 HydrophobicContact CG2-CD2 3.6Å; I89-F124 HydrophobicContact CG2-CE2 4.03Å; I89-M173 HydrophobicContact CD1-CE 4.18Å; I89-M173 HydrophobicContact CD1-SD 3.76Å; I89-M173 HydrophobicContact CG1-CE 4.39Å; I89-M173 HydrophobicContact CG1-SD 3.93Å
90L98.8Very high97.5Very high1 Ų140 Ų401%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-90.2114.6169.7177.767.1000109.3V23 V92 L107 L122 I123 F124 L143V23-L90 HydrophobicContact CG2-CD1 4.34Å; V23-L90 WeakPolarHBondContact O-CA 3.39Å; L90-V92 HydrophobicContact CD2-CG2 4.14Å; L90-V92 HydrophobicContact CG-CG2 4.08Å; L90-L107 HydrophobicContact CD2-CB 4.12Å; L90-L107 HydrophobicContact CD2-CD1 4.15Å; L90-L107 HydrophobicContact CD2-CD2 4.03Å; L90-L107 HydrophobicContact CD2-CG 4.32Å; L90-L122 PolarHBondContact N-O 3.2Å; L90-I123 HydrophobicContact CB-CG1 4.39Å; L90-I123 HydrophobicContact CD2-CG1 4.38Å; L90-I123 CarbonylContact O-C 3.59Å; L90-I123 WeakPolarHBondContact O-CA 2.85Å; L90-F124 PolarHBondContact O-N 3.15Å; L90-L143 HydrophobicContact CD2-CD1 4.38Å
91V98.8Very high97.7Very high0 Ų037.6 Ų37.60%019%0.19CC..EExtended strand (participates in β ladder)trans-95.6122.3174.9-170.20000109.6I22 V23 A28 K30 I33 I89 N126I22-V91 HydrophobicContact CG2-CG2 3.83Å; V23-V91 PolarHBondContact O-N 2.77Å; A28-V91 HydrophobicContact CB-CB 4.31Å; A28-V91 HydrophobicContact CB-CG1 4.08Å; A28-V91 WeakPolarHBondContact CB-O 3.32Å; A28-V91 VanDerWaalsContact O-CG1 3.26Å; A28-V91 WeakPolarHBondContact O-CG1 3.38Å; K30-V91 HydrophobicContact CB-CG2 4.43Å; K30-V91 HydrophobicContact CG-CB 3.83Å; K30-V91 HydrophobicContact CG-CG2 3.83Å; I33-V91 HydrophobicContact CD1-CG1 3.73Å; I33-V91 HydrophobicContact CD1-CG2 3.91Å; I89-V91 HydrophobicContact CG2-CG2 3.98Å; V91-N126 HydrophobicContact CG1-CB 3.88Å
92V98.8Very high97.7Very high2 Ų238.5 Ų38.51%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-111.3127.8179.11790000109L90 S94 L100 I123 F124 N126 I139 L143L90-V92 HydrophobicContact CD2-CG2 4.14Å; L90-V92 HydrophobicContact CG-CG2 4.08Å; V92-S94 PolarHBondContact O-N 2.99Å; V92-L100 HydrophobicContact CG1-CD1 3.55Å; V92-I123 HydrophobicContact CG2-CG2 3.99Å; V92-F124 PolarHBondContact N-O 2.87Å; V92-N126 WeakPolarHBondContact O-CB 3.27Å; V92-N126 PolarHBondContact O-N 3.14Å; V92-I139 HydrophobicContact CG1-CD1 4.13Å; V92-I139 HydrophobicContact CG1-CG1 4.49Å; V92-I139 HydrophobicContact CG1-CG2 4.2Å; V92-I139 HydrophobicContact CG2-CG2 4.49Å; V92-L143 HydrophobicContact CG2-CD1 4.29Å
93D98.6Very high97.8Very high13 Ų1338.3 Ų38.37%0.0720%0.197CC..EExtended strand (participates in β ladder)trans-72.5110.3167.4-173.1-24.1000108.9T95 D96 K127D93-T95 PolarHBondContact O-N 3.2Å; D93-T95 WeakPolarHBondContact OD1-CB 3.33Å; D93-T95 PolarHBondContact OD1-N 3.48Å; D93-T95 PolarHBondContact OD1-OG1 3.17Å; D93-D96 HydrophobicContact CB-CB 3.84Å; D93-D96 PolarHBondContact O-N 3.37Å; D93-D96 VanDerWaalsContact O-N 3.15Å; D93-K127 WeakPolarHBondContact OD1-CD 3.42Å; D93-K127 VanDerWaalsContact OD2-CE 3.3Å; D93-K127 WeakPolarHBondContact OD2-CE 3.35Å; D93-K127 IonicContact OD2-NZ 3.22Å; D93-K127 PolarHBondContact OD2-NZ 3.11Å
94S98.8Very high97.9Very high0 Ų038.5 Ų38.50%019%0.191CC..THydrogen-bonded Turntrans-69.6-13.3-177.1-53.60000113.2V92 A125 N126 Q128 C133 M134 I139V92-S94 PolarHBondContact O-N 2.99Å; S94-A125 VanDerWaalsContact OG-C 3.24Å; S94-N126 WeakPolarHBondContact CB-O 3.31Å; S94-N126 PolarHBondContact N-O 3.22Å; S94-N126 PolarHBondContact OG-N 3.15Å; S94-N126 PolarHBondContact OG-O 2.97Å; S94-Q128 PolarHBondContact OG-NE2 3.07Å; S94-C133 CarbonylContact O-C 3.55Å; S94-C133 WeakPolarHBondContact O-CA 3.45Å; S94-M134 WeakPolarHBondContact CB-O 3.24Å; S94-M134 VanDerWaalsContact O-CE 3.24Å; S94-M134 WeakPolarHBondContact O-CE 3.26Å; S94-M134 PolarHBondContact O-N 3.48Å; S94-I139 WeakPolarHBondContact OG-CD1 3.47Å
95T98.3Very high98.2Very high56 Ų5637.5 Ų37.534%0.34418%0.182SC..THydrogen-bonded Turntrans-86.9-17.5176.169.70000112.5D93 R97 K127 M130 C133D93-T95 PolarHBondContact O-N 3.2Å; D93-T95 WeakPolarHBondContact OD1-CB 3.33Å; D93-T95 PolarHBondContact OD1-N 3.48Å; D93-T95 PolarHBondContact OD1-OG1 3.17Å; T95-R97 PolarHBondContact O-N 2.88Å; T95-K127 HydrophobicContact CG2-CB 4.4Å; T95-M130 HydrophobicContact CG2-CB 3.42Å; T95-M130 VanDerWaalsContact CG2-CB 3.42Å; T95-M130 HydrophobicContact CG2-CG 3.79Å; T95-C133 HydrophobicContact CG2-CB 4.1Å
96D97.8Very high98.2Very high29 Ų2937.8 Ų37.816%0.15518%0.183CC..  trans-96.472.2-170-161.2-26.6000112.2D93 E98 R99 L100D93-D96 HydrophobicContact CB-CB 3.84Å; D93-D96 PolarHBondContact O-N 3.37Å; D93-D96 VanDerWaalsContact O-N 3.15Å; D96-E98 VanDerWaalsContact C-N 3.26Å; D96-E98 PolarHBondContact O-N 3.46Å; D96-R99 WeakPolarHBondContact OD1-CB 3.44Å; D96-R99 WeakPolarHBondContact OD1-CG 3.33Å; D96-R99 PolarHBondContact OD1-N 3Å; D96-R99 IonicContact OD1-NE 3.38Å; D96-R99 IonicContact OD2-CZ 3.81Å; D96-R99 IonicContact OD2-NE 2.83Å; D96-R99 PolarHBondContact OD2-NE 3.33Å; D96-R99 IonicContact OD2-NH2 3.89Å; D96-R99 PolarHBondContact OD2-NH2 2.84Å; D96-L100 PolarHBondContact O-N 3.39Å
97R97.9Very high98.3Very high118 Ų11836.4 Ų36.445%0.44518%0.177SC..THydrogen-bonded Turntrans-62.4-35.2-179.7-63.5-175-178.3-101.2-1.5112.1T95 D132 M134 E138T95-R97 PolarHBondContact O-N 2.88Å; R97-D132 PolarHBondContact NH2-O 3.04Å; R97-M134 HydrophobicContact CB-CE 4.39Å; R97-M134 HydrophobicContact CB-SD 4.42Å; R97-M134 HydrophobicContact CG-CE 3.81Å; R97-M134 HydrophobicContact CG-CG 3.86Å; R97-M134 HydrophobicContact CG-SD 3.7Å; R97-M134 VanDerWaalsContact NH1-CG 3.32Å; R97-E138 IonicContact CZ-OE1 2.68Å; R97-E138 IonicContact NH1-OE1 3.07Å; R97-E138 PolarHBondContact NH1-OE1 3.04Å; R97-E138 VanDerWaalsContact NH1-OE1 3.11Å; R97-E138 IonicContact NH2-OE1 2.67Å
98E97.1Very high98.3Very high178 Ų17839.5 Ų39.583%0.83219%0.189SC*.THydrogen-bonded Turntrans-67.1-41.7-175.7-63.7-174.8173.300111.9D96D96-E98 VanDerWaalsContact C-N 3.26Å; D96-E98 PolarHBondContact O-N 3.46Å
99R97.7Very high98.2Very high66 Ų6645.1 Ų45.125%0.24921%0.21CC..THydrogen-bonded Turntrans-91.11.5-177.5-59.3-168.7-68.4165.65.1114L25 D26 D96 A101 I102 S103L25-R99 HydrophobicContact CD1-CB 3.54Å; D26-R99 IonicContact OD1-NH1 3.85Å; D26-R99 PolarHBondContact OD1-NH1 3.06Å; D26-R99 IonicContact OD2-CZ 3.89Å; D26-R99 IonicContact OD2-NH1 3.11Å; D26-R99 PolarHBondContact OD2-NH1 3.32Å; D26-R99 IonicContact OD2-NH2 3.68Å; D96-R99 WeakPolarHBondContact OD1-CB 3.44Å; D96-R99 WeakPolarHBondContact OD1-CG 3.33Å; D96-R99 PolarHBondContact OD1-N 3Å; D96-R99 IonicContact OD1-NE 3.38Å; D96-R99 IonicContact OD2-CZ 3.81Å; D96-R99 IonicContact OD2-NE 2.83Å; D96-R99 PolarHBondContact OD2-NE 3.33Å; D96-R99 IonicContact OD2-NH2 3.89Å; D96-R99 PolarHBondContact OD2-NH2 2.84Å; R99-A101 PolarHBondContact O-N 2.95Å; R99-I102 HydrophobicContact CB-CD1 4.16Å; R99-I102 HydrophobicContact CG-CD1 4.18Å; R99-I102 WeakPolarHBondContact O-CB 3.38Å; R99-I102 PolarHBondContact O-N 3.06Å; R99-S103 PolarHBondContact O-N 3.28Å
100L97.9Very high98.2Very high2 Ų245.1 Ų45.11%0.0121%0.21CC..Hα-helixtrans-61.4-28.4177.7-167.563.5000113V92 D96 I102 S103 K104 M134 I139 Y142 L143V92-L100 HydrophobicContact CG1-CD1 3.55Å; D96-L100 PolarHBondContact O-N 3.39Å; L100-I102 VanDerWaalsContact C-N 3.3Å; L100-I102 PolarHBondContact O-N 3.19Å; L100-S103 PolarHBondContact O-N 2.79Å; L100-K104 PolarHBondContact O-N 3.35Å; L100-M134 HydrophobicContact CD2-CE 4.05Å; L100-M134 HydrophobicContact CD2-SD 3.6Å; L100-M134 VanDerWaalsContact CD2-SD 3.6Å; L100-I139 HydrophobicContact CD1-CG2 4.44Å; L100-Y142 HydrophobicContact CB-CD1 4.16Å; L100-Y142 HydrophobicContact CB-CE1 3.94Å; L100-Y142 HydrophobicContact CD2-CD1 3.36Å; L100-Y142 HydrophobicContact CD2-CD2 4.1Å; L100-Y142 HydrophobicContact CD2-CE1 3.98Å; L100-Y142 HydrophobicContact CD2-CG 3.42Å; L100-Y142 VanDerWaalsContact CD2-CG 3.42Å; L100-Y142 HydrophobicContact CG-CD1 3.46Å; L100-Y142 VanDerWaalsContact CG-CD1 3.46Å; L100-Y142 HydrophobicContact CG-CE1 3.76Å; L100-Y142 HydrophobicContact CG-CG 4.09Å; L100-L143 HydrophobicContact CD1-CD2 3.88Å; L100-L143 HydrophobicContact CD1-CG 4.33Å; L100-L143 HydrophobicContact CG-CD2 4.14Å
101A98.3Very high98.1Very high46 Ų4645.7 Ų45.738%0.3821%0.213SC..Hα-helixtrans-60-39.7171.600000112.4R99 K104 E105R99-A101 PolarHBondContact O-N 2.95Å; A101-K104 WeakPolarHBondContact O-CB 3.49Å; A101-K104 PolarHBondContact O-N 3.33Å; A101-E105 PolarHBondContact O-N 3.23Å
102I98.1Very high98Very high56 Ų5649.7 Ų49.729%0.28725%0.246SC..Hα-helixtrans-68.3-45.6178.3-53.1175.9000109.6L25 R99 L100 K104 E105 E106L25-I102 HydrophobicContact CD1-CB 4.24Å; L25-I102 HydrophobicContact CD1-CG2 4.48Å; L25-I102 HydrophobicContact CD2-CB 4.32Å; L25-I102 HydrophobicContact CD2-CG2 3.77Å; R99-I102 HydrophobicContact CB-CD1 4.16Å; R99-I102 HydrophobicContact CG-CD1 4.18Å; R99-I102 WeakPolarHBondContact O-CB 3.38Å; R99-I102 PolarHBondContact O-N 3.06Å; L100-I102 VanDerWaalsContact C-N 3.3Å; L100-I102 PolarHBondContact O-N 3.19Å; I102-K104 PolarHBondContact O-N 2.88Å; I102-E105 PolarHBondContact O-N 2.89Å; I102-E105 VanDerWaalsContact O-N 3.16Å; I102-E106 HydrophobicContact CG2-CG 4.4Å; I102-E106 WeakPolarHBondContact O-CG 3.18Å; I102-E106 PolarHBondContact O-N 2.87Å
103S98.1Very high98Very high7 Ų752.3 Ų52.35%0.04926%0.258CS..Hα-helixtrans-57.3-37.9174.9-59.30000112.4R99 L100 L107R99-S103 PolarHBondContact O-N 3.28Å; L100-S103 PolarHBondContact O-N 2.79Å; S103-L107 VanDerWaalsContact O-CB 3.32Å; S103-L107 WeakPolarHBondContact O-CB 3.47Å; S103-L107 PolarHBondContact O-N 3.15Å
104K98.6Very high97.9Very high60 Ų6058 Ų5826%0.26128%0.284SS..Hα-helixtrans-62.6-53.2174.1-172.7177.4-175.8158.30111.2L100 A101 I102 E106 L107 Y108 Y142 L143 T144L100-K104 PolarHBondContact O-N 3.35Å; A101-K104 WeakPolarHBondContact O-CB 3.49Å; A101-K104 PolarHBondContact O-N 3.33Å; I102-K104 PolarHBondContact O-N 2.88Å; K104-E106 VanDerWaalsContact C-N 3.32Å; K104-E106 PolarHBondContact O-N 2.95Å; K104-L107 WeakPolarHBondContact O-CB 3.46Å; K104-L107 PolarHBondContact O-N 2.86Å; K104-Y108 HydrophobicContact CG-CD2 3.83Å; K104-Y108 HydrophobicContact CG-CE2 3.77Å; K104-Y108 VanDerWaalsContact O-CD2 3.27Å; K104-Y108 WeakPolarHBondContact O-CD2 3.2Å; K104-Y108 PolarHBondContact O-N 2.82Å; K104-Y142 PolarHBondContact NZ-O 3.02Å; K104-L143 HydrophobicContact CB-CD2 3.7Å; K104-L143 HydrophobicContact CG-CD2 4.31Å; K104-T144 VanDerWaalsContact CE-OG1 3.26Å; K104-T144 WeakPolarHBondContact CE-OG1 3.28Å; K104-T144 VanDerWaalsContact NZ-CG2 3.34Å; K104-T144 PolarHBondContact NZ-OG1 3.38Å
105E98.2Very high97.9Very high111 Ų11161.5 Ų61.552%0.51930%0.303SS..Hα-helixtrans-56.3-47.6-179-171.4-176.116400111.7A101 I102 L107 Y108 R109A101-E105 PolarHBondContact O-N 3.23Å; I102-E105 PolarHBondContact O-N 2.89Å; I102-E105 VanDerWaalsContact O-N 3.16Å; E105-L107 PolarHBondContact O-N 2.87Å; E105-Y108 PolarHBondContact O-N 2.87Å; E105-R109 VanDerWaalsContact O-CB 3.31Å; E105-R109 WeakPolarHBondContact O-CB 3.14Å; E105-R109 PolarHBondContact O-N 2.81Å; E105-R109 IonicContact OE1-CZ 2.65Å; E105-R109 IonicContact OE1-NH2 3.68Å; E105-R109 PolarHBondContact OE1-NH2 3.38Å
106E98.1Very high97.8Very high13 Ų1358.8 Ų58.86%0.06129%0.286CS..Hα-helixtrans-64-40.4178.5-64.4-59.3162.600112.3W78 I102 K104 R109 M110W78-E106 HydrophobicContact CH2-CB 4.41Å; W78-E106 HydrophobicContact CH2-CG 4.49Å; W78-E106 HydrophobicContact CZ3-CB 3.87Å; W78-E106 HydrophobicContact CZ3-CG 4.27Å; I102-E106 HydrophobicContact CG2-CG 4.4Å; I102-E106 WeakPolarHBondContact O-CG 3.18Å; I102-E106 PolarHBondContact O-N 2.87Å; K104-E106 VanDerWaalsContact C-N 3.32Å; K104-E106 PolarHBondContact O-N 2.95Å; E106-R109 PolarHBondContact O-N 3.01Å; E106-R109 IonicContact OE1-CZ 3.62Å; E106-R109 IonicContact OE1-NH1 3.35Å; E106-R109 PolarHBondContact OE1-NH1 2.87Å; E106-R109 IonicContact OE1-NH2 2.69Å; E106-R109 IonicContact OE2-CZ 3.89Å; E106-R109 IonicContact OE2-NH1 3.67Å; E106-R109 PolarHBondContact OE2-NH1 2.75Å; E106-M110 VanDerWaalsContact O-CG 3.31Å; E106-M110 WeakPolarHBondContact O-CG 3.31Å; E106-M110 PolarHBondContact O-N 3.46Å
107L98.4Very high97.7Very high0 Ų065.5 Ų65.50%031%0.309CS..Hα-helixtrans-56.9-53.2175175.359.8000111.1L90 S103 K104 E105 R109 M110 L111 V121 L145 I148L90-L107 HydrophobicContact CD2-CB 4.12Å; L90-L107 HydrophobicContact CD2-CD1 4.15Å; L90-L107 HydrophobicContact CD2-CD2 4.03Å; L90-L107 HydrophobicContact CD2-CG 4.32Å; S103-L107 VanDerWaalsContact O-CB 3.32Å; S103-L107 WeakPolarHBondContact O-CB 3.47Å; S103-L107 PolarHBondContact O-N 3.15Å; K104-L107 WeakPolarHBondContact O-CB 3.46Å; K104-L107 PolarHBondContact O-N 2.86Å; E105-L107 PolarHBondContact O-N 2.87Å; L107-R109 VanDerWaalsContact C-N 3.32Å; L107-R109 PolarHBondContact O-N 3.02Å; L107-M110 HydrophobicContact CD1-CE 4.48Å; L107-M110 WeakPolarHBondContact O-CB 3.33Å; L107-M110 PolarHBondContact O-N 3.27Å; L107-L111 HydrophobicContact CD1-CD1 3.82Å; L107-L111 HydrophobicContact CD1-CD2 4.43Å; L107-L111 HydrophobicContact CD1-CG 4.02Å; L107-L111 HydrophobicContact CG-CD1 4.07Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.38Å; L107-L111 PolarHBondContact O-N 2.76Å; L107-V121 HydrophobicContact CD1-CG1 4.12Å; L107-L145 HydrophobicContact CD2-CD2 3.73Å; L107-I148 HydrophobicContact CD2-CD1 4.24Å
108Y98.3Very high97.5Very high72 Ų7269.3 Ų69.328%0.28233%0.329SS..Hα-helixtrans-69.1-31.7-178.5-75.9-84.6000112.6K104 E105 M110 L111 A112 L143 T144 S147 I148K104-Y108 HydrophobicContact CG-CD2 3.83Å; K104-Y108 HydrophobicContact CG-CE2 3.77Å; K104-Y108 VanDerWaalsContact O-CD2 3.27Å; K104-Y108 WeakPolarHBondContact O-CD2 3.2Å; K104-Y108 PolarHBondContact O-N 2.82Å; E105-Y108 PolarHBondContact O-N 2.87Å; Y108-M110 VanDerWaalsContact C-N 3.34Å; Y108-L111 PolarHBondContact O-N 3.21Å; Y108-A112 WeakPolarHBondContact O-CB 3.49Å; Y108-A112 PolarHBondContact O-N 2.92Å; Y108-L143 VanDerWaalsContact CE2-O 3.27Å; Y108-L143 WeakPolarHBondContact CE2-O 3.43Å; Y108-L143 PolarHBondContact OH-O 3.1Å; Y108-T144 PolarHBondContact OH-O 2.83Å; Y108-T144 PolarHBondContact OH-OG1 3.11Å; Y108-S147 PolarHBondContact OH-OG 3.42Å; Y108-S147 VanDerWaalsContact OH-OG 3.11Å; Y108-I148 HydrophobicContact CE1-CG1 4.22Å
109R97.5Very high97.5Very high118 Ų11860.9 Ų60.945%0.44529%0.29SS..Hα-helixtrans-62.3-42.1172.5-170-173.5-63.3154.3-2.7111.5E105 E106 L107E105-R109 VanDerWaalsContact O-CB 3.31Å; E105-R109 WeakPolarHBondContact O-CB 3.14Å; E105-R109 PolarHBondContact O-N 2.81Å; E105-R109 IonicContact OE1-CZ 2.65Å; E105-R109 IonicContact OE1-NH2 3.68Å; E105-R109 PolarHBondContact OE1-NH2 3.38Å; E106-R109 PolarHBondContact O-N 3.01Å; E106-R109 IonicContact OE1-CZ 3.62Å; E106-R109 IonicContact OE1-NH1 3.35Å; E106-R109 PolarHBondContact OE1-NH1 2.87Å; E106-R109 IonicContact OE1-NH2 2.69Å; E106-R109 IonicContact OE2-CZ 3.89Å; E106-R109 IonicContact OE2-NH1 3.67Å; E106-R109 PolarHBondContact OE2-NH1 2.75Å; L107-R109 VanDerWaalsContact C-N 3.32Å; L107-R109 PolarHBondContact O-N 3.02Å
110M97.8Very high97.5Very high0 Ų058 Ų580%028%0.281CS..Hα-helixtrans-63.9-50.5174.7-74.4-171.6-63.100111.9V23 W78 Y82 I88 E106 L107 Y108 A112 H113 L116V23-M110 HydrophobicContact CB-SD 4.33Å; V23-M110 HydrophobicContact CG1-SD 4.36Å; V23-M110 HydrophobicContact CG2-CE 3.73Å; V23-M110 HydrophobicContact CG2-SD 3.78Å; W78-M110 HydrophobicContact CE3-CE 4.49Å; W78-M110 HydrophobicContact CE3-CG 4.37Å; W78-M110 HydrophobicContact CE3-SD 3.7Å; W78-M110 HydrophobicContact CZ3-CE 4.14Å; W78-M110 HydrophobicContact CZ3-SD 3.95Å; Y82-M110 HydrophobicContact CE1-CG 4.24Å; Y82-M110 HydrophobicContact CE1-SD 4.39Å; Y82-M110 VanDerWaalsContact OH-CG 3.29Å; Y82-M110 WeakPolarHBondContact OH-CG 3.47Å; I88-M110 HydrophobicContact CG2-CE 4.36Å; E106-M110 VanDerWaalsContact O-CG 3.31Å; E106-M110 WeakPolarHBondContact O-CG 3.31Å; E106-M110 PolarHBondContact O-N 3.46Å; L107-M110 HydrophobicContact CD1-CE 4.48Å; L107-M110 WeakPolarHBondContact O-CB 3.33Å; L107-M110 PolarHBondContact O-N 3.27Å; Y108-M110 VanDerWaalsContact C-N 3.34Å; M110-A112 PolarHBondContact O-N 2.85Å; M110-H113 VanDerWaalsContact O-CB 3.26Å; M110-H113 WeakPolarHBondContact O-CB 3.17Å; M110-H113 PolarHBondContact O-N 2.79Å; M110-L116 HydrophobicContact CB-CD1 3.88Å; M110-L116 HydrophobicContact CG-CD1 4.46Å; M110-L116 WeakPolarHBondContact O-CD1 3.34Å
111L97.5Very high97.6Very high12 Ų1258 Ų586%0.06328%0.28CS..Hα-helixtrans-65.2-25.5-176.5-61.2178.8000113I88 L107 Y108 H113 V121 I148I88-L111 HydrophobicContact CD1-CD2 4.18Å; L107-L111 HydrophobicContact CD1-CD1 3.82Å; L107-L111 HydrophobicContact CD1-CD2 4.43Å; L107-L111 HydrophobicContact CD1-CG 4.02Å; L107-L111 HydrophobicContact CG-CD1 4.07Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.38Å; L107-L111 PolarHBondContact O-N 2.76Å; Y108-L111 PolarHBondContact O-N 3.21Å; L111-H113 PolarHBondContact O-N 3.24Å; L111-V121 HydrophobicContact CD2-CG2 3.59Å; L111-I148 HydrophobicContact CD1-CD1 3.67Å; L111-I148 HydrophobicContact CD1-CG1 4.02Å; L111-I148 HydrophobicContact CD1-CG2 4.12Å
112A97.3Very high97.6Very high85 Ų8555.8 Ų55.870%0.70226%0.262SS*.THydrogen-bonded Turntrans-71.7-15.3172.900000113.9Y108 M110Y108-A112 WeakPolarHBondContact O-CB 3.49Å; Y108-A112 PolarHBondContact O-N 2.92Å; M110-A112 PolarHBondContact O-N 2.85Å
113H98.1Very high97.6Very high57 Ų5753.1 Ų53.126%0.26425%0.248SC..SBendtrans-77.2135.6-176.2-161.6-79.7000112Y82 M110 L111 D115 L116Y82-H113 HydrophobicContact CD2-CB 3.83Å; Y82-H113 AromaticContact CD2-CD2 3.81Å; Y82-H113 AromaticContact CD2-CE1 3.98Å; Y82-H113 AromaticContact CD2-CG 3.48Å; Y82-H113 VanDerWaalsContact CD2-CG 3.48Å; Y82-H113 AromaticContact CD2-ND1 3.61Å; Y82-H113 HydrophobicContact CE2-CB 3.93Å; Y82-H113 AromaticContact CE2-CD2 3.94Å; Y82-H113 AromaticContact CE2-CG 3.85Å; M110-H113 VanDerWaalsContact O-CB 3.26Å; M110-H113 WeakPolarHBondContact O-CB 3.17Å; M110-H113 PolarHBondContact O-N 2.79Å; L111-H113 PolarHBondContact O-N 3.24Å; H113-D115 VanDerWaalsContact C-N 3.35Å; H113-D115 IonicContact CE1-OD2 2.73Å; H113-D115 PolarHBondContact CE1-OD2 3.46Å; H113-D115 PolarHBondContact ND1-N 3.01Å; H113-D115 IonicContact ND1-OD2 2.7Å; H113-D115 PolarHBondContact O-N 2.88Å; H113-L116 PolarHBondContact O-N 3.5Å
114E96.8Very high97.7Very high132 Ų13252.8 Ų52.862%0.61725%0.246SC*.G310 helixtrans-62.5-38.3-172.663.2-176.8176.100114.2L116 R117E114-L116 PolarHBondContact O-N 3.21Å; E114-R117 WeakPolarHBondContact O-CG 3.5Å; E114-R117 PolarHBondContact O-N 3.29Å
115D97.3Very high97.7Very high73 Ų7349.9 Ų49.939%0.3923%0.234SC..G310 helixtrans-62.1-21.8176.7-71.8-27.4000113.9H113H113-D115 VanDerWaalsContact C-N 3.35Å; H113-D115 IonicContact CE1-OD2 2.73Å; H113-D115 PolarHBondContact CE1-OD2 3.46Å; H113-D115 PolarHBondContact ND1-N 3.01Å; H113-D115 IonicContact ND1-OD2 2.7Å; H113-D115 PolarHBondContact O-N 2.88Å
116L97.9Very high97.7Very high0 Ų044.8 Ų44.80%021%0.21CC..G310 helixtrans-98.3-4.1-177.2-67.6179000113.5I21 Y82 T85 I88 M110 H113 E114 K118 A119 H151I21-L116 HydrophobicContact CD1-CD2 4.49Å; Y82-L116 HydrophobicContact CD1-CD1 3.66Å; Y82-L116 HydrophobicContact CD1-CD2 4.15Å; Y82-L116 HydrophobicContact CD1-CG 4.13Å; Y82-L116 HydrophobicContact CD2-CD1 3.68Å; Y82-L116 HydrophobicContact CD2-CG 3.97Å; Y82-L116 HydrophobicContact CE1-CD1 3.87Å; Y82-L116 HydrophobicContact CE2-CD1 3.88Å; Y82-L116 HydrophobicContact CG-CD1 3.6Å; Y82-L116 HydrophobicContact CG-CD2 4.01Å; Y82-L116 HydrophobicContact CG-CG 3.71Å; T85-L116 HydrophobicContact CG2-CD2 3.91Å; I88-L116 HydrophobicContact CD1-CB 4.41Å; I88-L116 HydrophobicContact CD1-CD1 3.76Å; I88-L116 HydrophobicContact CD1-CD2 4.05Å; I88-L116 HydrophobicContact CD1-CG 4.28Å; I88-L116 HydrophobicContact CG1-CD2 4.32Å; M110-L116 HydrophobicContact CB-CD1 3.88Å; M110-L116 HydrophobicContact CG-CD1 4.46Å; M110-L116 WeakPolarHBondContact O-CD1 3.34Å; H113-L116 PolarHBondContact O-N 3.5Å; E114-L116 PolarHBondContact O-N 3.21Å; L116-K118 PolarHBondContact O-N 3Å; L116-A119 HydrophobicContact CB-CB 4.49Å; L116-A119 HydrophobicContact CD2-CB 4.24Å; L116-A119 VanDerWaalsContact O-CB 3.27Å; L116-A119 WeakPolarHBondContact O-CB 3.43Å; L116-A119 PolarHBondContact O-N 3.26Å; L116-H151 PolarHBondContact O-CE1 3.46Å
117R95.1Very high97.7Very high169 Ų16946 Ų4664%0.63822%0.215SC*.THydrogen-bonded Turntrans-50.2-24.6-173.6-77.7-178.4-166.3176.213116.1E114E114-R117 WeakPolarHBondContact O-CG 3.5Å; E114-R117 PolarHBondContact O-N 3.29Å
118K93.3Very high97.7Very high198 Ų19848.7 Ų48.786%0.86123%0.227SC*.THydrogen-bonded Turntrans-105.3-4.1-179.7-62.6-176.1-178.4178.20113.6L116L116-K118 PolarHBondContact O-N 3Å
119A97.5Very high97.7Very high1 Ų149.3 Ų49.31%0.00824%0.236CC..  trans-72.5138.7-175.600000110.9E86 I88 L116 H151E86-A119 CarbonylContact O-C 3.52Å; E86-A119 VanDerWaalsContact O-CA 3.26Å; E86-A119 WeakPolarHBondContact O-CA 3.47Å; I88-A119 HydrophobicContact CD1-CB 4.08Å; I88-A119 HydrophobicContact CG1-CB 4.03Å; L116-A119 HydrophobicContact CB-CB 4.49Å; L116-A119 HydrophobicContact CD2-CB 4.24Å; L116-A119 VanDerWaalsContact O-CB 3.27Å; L116-A119 WeakPolarHBondContact O-CB 3.43Å; L116-A119 PolarHBondContact O-N 3.26Å; A119-H151 PolarHBondContact O-ND1 3.23Å
120A98.3Very high97.7Very high7 Ų748.4 Ų48.46%0.05824%0.238CC..EExtended strand (participates in β ladder)trans-87.9147.4169.800000110.2E86 F87 I88 P152 W172E86-A120 PolarHBondContact O-N 3.09Å; F87-A120 CarbonylContact C-O 3.51Å; F87-A120 WeakPolarHBondContact CA-O 3.27Å; F87-A120 HydrophobicContact CD1-CB 3.77Å; F87-A120 HydrophobicContact CE1-CB 3.87Å; I88-A120 PolarHBondContact N-O 2.85Å; A120-P152 CarbonylContact C-O 3.42Å; A120-P152 WeakPolarHBondContact CA-O 3.15Å; A120-P152 HydrophobicContact CB-CB 4.22Å; A120-P152 HydrophobicContact CB-CG 4.47Å; A120-W172 HydrophobicContact CB-CH2 3.9Å; A120-W172 HydrophobicContact CB-CZ3 4.41Å
121V98.6Very high97.6Very high0 Ų057.4 Ų57.40%028%0.277CS..EExtended strand (participates in β ladder)trans-114.6113.3-173.2-167.90000110.7I88 L107 L111 I123 H151 P152 W153 H154 W172I88-V121 HydrophobicContact CD1-CG2 4.49Å; I88-V121 CarbonylContact O-C 3.56Å; I88-V121 WeakPolarHBondContact O-CA 3.41Å; L107-V121 HydrophobicContact CD1-CG1 4.12Å; L111-V121 HydrophobicContact CD2-CG2 3.59Å; V121-I123 HydrophobicContact CB-CD1 4.35Å; V121-I123 HydrophobicContact CG1-CD1 3.74Å; V121-I123 HydrophobicContact CG1-CG1 4.19Å; V121-H151 HydrophobicContact CG2-CB 4.13Å; V121-P152 PolarHBondContact N-O 2.94Å; V121-W153 HydrophobicContact CB-CB 4.06Å; V121-W153 CarbonylContact O-C 3.57Å; V121-W153 WeakPolarHBondContact O-CA 3.38Å; V121-W153 WeakPolarHBondContact O-CB 3.3Å; V121-H154 PolarHBondContact O-N 3.02Å; V121-W172 WeakPolarHBondContact O-CH2 3.19Å
122L98.8Very high97.4Very high0 Ų063.9 Ų63.90%031%0.311CS..EExtended strand (participates in β ladder)trans-96.1124.7166.6177.761.5000108.9I88 I89 L90 F124 H154 Q156 W172 M173I88-L122 PolarHBondContact O-N 3.13Å; I89-L122 CarbonylContact C-O 3.57Å; I89-L122 VanDerWaalsContact CA-O 3.31Å; I89-L122 WeakPolarHBondContact CA-O 3.35Å; I89-L122 HydrophobicContact CG1-CB 4.37Å; I89-L122 HydrophobicContact CG1-CD2 4.34Å; L90-L122 PolarHBondContact N-O 3.2Å; L122-F124 HydrophobicContact CD2-CD2 4.26Å; L122-F124 HydrophobicContact CD2-CE1 4.38Å; L122-F124 HydrophobicContact CD2-CE2 3.62Å; L122-F124 HydrophobicContact CD2-CZ 3.69Å; L122-F124 HydrophobicContact CG-CE2 4.33Å; L122-F124 HydrophobicContact CG-CZ 4.48Å; L122-H154 HydrophobicContact CD1-CB 4.24Å; L122-Q156 HydrophobicContact CD1-CB 4.42Å; L122-W172 HydrophobicContact CB-CE3 4.15Å; L122-W172 HydrophobicContact CB-CZ3 3.85Å; L122-W172 HydrophobicContact CD1-CE3 4.14Å; L122-M173 HydrophobicContact CB-CG 4.4Å; L122-M173 HydrophobicContact CB-SD 4.37Å; L122-M173 HydrophobicContact CD2-CG 3.98Å; L122-M173 HydrophobicContact CD2-SD 3.59Å; L122-M173 VanDerWaalsContact CD2-SD 3.59Å
123I98.9Very high97.4Very high0 Ų061 Ų610%029%0.286CS..EExtended strand (participates in β ladder)trans-104.8118.3173.8-56.185.1000108.1L90 V92 V121 L145 W153 H154 I155 Q156L90-I123 HydrophobicContact CB-CG1 4.39Å; L90-I123 HydrophobicContact CD2-CG1 4.38Å; L90-I123 CarbonylContact O-C 3.59Å; L90-I123 WeakPolarHBondContact O-CA 2.85Å; V92-I123 HydrophobicContact CG2-CG2 3.99Å; V121-I123 HydrophobicContact CB-CD1 4.35Å; V121-I123 HydrophobicContact CG1-CD1 3.74Å; V121-I123 HydrophobicContact CG1-CG1 4.19Å; I123-L145 HydrophobicContact CD1-CD1 3.91Å; I123-L145 HydrophobicContact CD1-CD2 4.26Å; I123-L145 HydrophobicContact CG1-CD1 4.18Å; I123-L145 HydrophobicContact CG1-CD2 4.43Å; I123-W153 HydrophobicContact CD1-CB 4.28Å; I123-H154 VanDerWaalsContact CD1-O 3.27Å; I123-H154 WeakPolarHBondContact CD1-O 3.32Å; I123-H154 PolarHBondContact N-O 3.19Å; I123-I155 HydrophobicContact CB-CB 4.17Å; I123-I155 HydrophobicContact CB-CD1 4.34Å; I123-I155 HydrophobicContact CB-CG1 3.99Å; I123-I155 HydrophobicContact CG2-CD1 3.97Å; I123-I155 HydrophobicContact CG2-CG1 4.03Å; I123-I155 CarbonylContact O-C 3.54Å; I123-I155 WeakPolarHBondContact O-CA 3.33Å; I123-Q156 PolarHBondContact O-N 2.96Å
124F98.9Very high97.5Very high0 Ų058.7 Ų58.70%028%0.276CS..EExtended strand (participates in β ladder)trans-92.2112.2167.5-83.3-54.3000109.7I33 F37 I89 L90 V92 L122 N126 Q156 C158 L166I33-F124 HydrophobicContact CD1-CB 4.16Å; I33-F124 HydrophobicContact CD1-CD2 3.96Å; I33-F124 HydrophobicContact CD1-CG 4.18Å; I33-F124 HydrophobicContact CG2-CD2 4.43Å; I33-F124 HydrophobicContact CG2-CE2 4.24Å; F37-F124 AromaticContact CZ-CE2 3.97Å; F37-F124 HydrophobicContact CZ-CE2 3.97Å; F37-F124 HydrophobicContact CZ-CZ 4.1Å; I89-F124 HydrophobicContact CG2-CD2 3.6Å; I89-F124 HydrophobicContact CG2-CE2 4.03Å; L90-F124 PolarHBondContact O-N 3.15Å; V92-F124 PolarHBondContact N-O 2.87Å; L122-F124 HydrophobicContact CD2-CD2 4.26Å; L122-F124 HydrophobicContact CD2-CE1 4.38Å; L122-F124 HydrophobicContact CD2-CE2 3.62Å; L122-F124 HydrophobicContact CD2-CZ 3.69Å; L122-F124 HydrophobicContact CG-CE2 4.33Å; L122-F124 HydrophobicContact CG-CZ 4.48Å; F124-N126 VanDerWaalsContact C-N 3.32Å; F124-N126 PolarHBondContact O-N 3.38Å; F124-N126 VanDerWaalsContact O-N 3.15Å; F124-Q156 WeakPolarHBondContact CA-O 3.42Å; F124-Q156 HydrophobicContact CD1-CB 3.97Å; F124-Q156 HydrophobicContact CD1-CG 4.19Å; F124-Q156 HydrophobicContact CE1-CB 3.99Å; F124-Q156 HydrophobicContact CE1-CG 3.88Å; F124-C158 HydrophobicContact CD1-CB 3.84Å; F124-C158 WeakPolarHBondContact CD1-SG 3.3Å; F124-C158 HydrophobicContact CE1-CB 4.24Å; F124-L166 HydrophobicContact CD1-CD2 4.09Å; F124-L166 HydrophobicContact CD2-CD2 4.49Å; F124-L166 HydrophobicContact CE1-CD2 3.75Å; F124-L166 HydrophobicContact CE2-CD2 4.18Å; F124-L166 HydrophobicContact CG-CD2 4.46Å; F124-L166 HydrophobicContact CZ-CD2 3.79Å
125A98.8Very high97.5Very high0 Ų054.6 Ų54.60%026%0.261CS..EExtended strand (participates in β ladder)trans-79.186.7164.700000107.5S94 Q128 A136 I139 I155 Q156 C158S94-A125 VanDerWaalsContact OG-C 3.24Å; A125-Q128 WeakPolarHBondContact O-CG 3.5Å; A125-A136 HydrophobicContact CB-CB 4.17Å; A125-I139 HydrophobicContact CB-CD1 3.54Å; A125-I155 HydrophobicContact CB-CD1 4.48Å; A125-I155 HydrophobicContact CB-CG1 4.47Å; A125-Q156 PolarHBondContact N-O 3.16Å; A125-C158 PolarHBondContact O-N 3.2Å
126N98.8Very high97.6Very high4 Ų451.9 Ų51.92%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-88.2163.5-170.4-170.232.1000112.4A28 V91 V92 S94 F124 C158 A160A28-N126 PolarHBondContact O-ND2 3.11Å; V91-N126 HydrophobicContact CG1-CB 3.88Å; V92-N126 WeakPolarHBondContact O-CB 3.27Å; V92-N126 PolarHBondContact O-N 3.14Å; S94-N126 WeakPolarHBondContact CB-O 3.31Å; S94-N126 PolarHBondContact N-O 3.22Å; S94-N126 PolarHBondContact OG-N 3.15Å; S94-N126 PolarHBondContact OG-O 2.97Å; F124-N126 VanDerWaalsContact C-N 3.32Å; F124-N126 PolarHBondContact O-N 3.38Å; F124-N126 VanDerWaalsContact O-N 3.15Å; N126-C158 CarbonylContact C-O 3.54Å; N126-C158 WeakPolarHBondContact CA-O 3.33Å; N126-C158 VanDerWaalsContact CA-SG 3.58Å; N126-A160 WeakPolarHBondContact OD1-CB 3.41Å; N126-A160 PolarHBondContact OD1-N 3.24Å
127K98.4Very high97.6Very high39 Ų3955.4 Ų55.417%0.1728%0.279CS..  trans67.236.7-177.6-46.2-167.6-168.9173.50113.8N27 D93 T95 D129 M130 C158N27-K127 WeakPolarHBondContact O-CE 3.39Å; N27-K127 PolarHBondContact O-NZ 3Å; D93-K127 WeakPolarHBondContact OD1-CD 3.42Å; D93-K127 VanDerWaalsContact OD2-CE 3.3Å; D93-K127 WeakPolarHBondContact OD2-CE 3.35Å; D93-K127 IonicContact OD2-NZ 3.22Å; D93-K127 PolarHBondContact OD2-NZ 3.11Å; T95-K127 HydrophobicContact CG2-CB 4.4Å; K127-D129 VanDerWaalsContact C-OD1 3.28Å; K127-D129 VanDerWaalsContact CA-OD1 3.27Å; K127-D129 WeakPolarHBondContact CA-OD1 3.31Å; K127-D129 PolarHBondContact O-N 2.97Å; K127-M130 HydrophobicContact CB-CG 4.06Å; K127-M130 WeakPolarHBondContact O-CB 3.47Å; K127-M130 PolarHBondContact O-N 3.34Å; K127-C158 PolarHBondContact N-O 3.15Å
128Q98.5Very high97.8Very high55 Ų5551.3 Ų51.326%0.25727%0.266SS..THydrogen-bonded Turntrans-69.3-9.6177.5-65.2-76.2-72.800113.3S94 A125 M130 M134 S157 C158S94-Q128 PolarHBondContact OG-NE2 3.07Å; A125-Q128 WeakPolarHBondContact O-CG 3.5Å; Q128-M130 VanDerWaalsContact C-N 3.26Å; Q128-M134 PolarHBondContact NE2-O 3.38Å; Q128-S157 PolarHBondContact OE1-OG 2.7Å; Q128-C158 WeakPolarHBondContact CG-O 3.32Å; Q128-C158 PolarHBondContact N-O 3.27Å
129D97.4Very high98.1Very high86 Ų8641.9 Ų41.946%0.4623%0.225SC..THydrogen-bonded Turntrans-72.1-17.717157-65.9000113.3K127 C159K127-D129 VanDerWaalsContact C-OD1 3.28Å; K127-D129 VanDerWaalsContact CA-OD1 3.27Å; K127-D129 WeakPolarHBondContact CA-OD1 3.31Å; K127-D129 PolarHBondContact O-N 2.97Å; D129-C159 HydrophobicContact CB-CB 4.47Å; D129-C159 VanDerWaalsContact CG-SG 3.51Å; D129-C159 PolarHBondContact OD1-SG 3.38Å
130M97.6Very high98.1Very high98 Ų9843 Ų4348%0.48323%0.233SC..SBendtrans-82.8142.1-176.8-63-67.2-72.900111.9T95 K127 Q128 C133T95-M130 HydrophobicContact CG2-CB 3.42Å; T95-M130 VanDerWaalsContact CG2-CB 3.42Å; T95-M130 HydrophobicContact CG2-CG 3.79Å; K127-M130 HydrophobicContact CB-CG 4.06Å; K127-M130 WeakPolarHBondContact O-CB 3.47Å; K127-M130 PolarHBondContact O-N 3.34Å; Q128-M130 VanDerWaalsContact C-N 3.26Å; M130-C133 HydrophobicContact CB-CB 4.49Å; M130-C133 WeakPolarHBondContact O-CB 3.31Å; M130-C133 PolarHBondContact O-SG 3Å
131K95.4Very high98.1Very high190 Ų19050.9 Ų50.983%0.82627%0.266SS*.THydrogen-bonded Turntrans-63.1147.2173-66.1-175.8-179.5-179.40110.9C133K131-C133 PolarHBondContact O-N 3.2Å
132D93.9Very high98.1Very high147 Ų14756.1 Ų56.179%0.78629%0.287SS*.THydrogen-bonded Turntrans58.814177.4-53.1-46.5000115.5R97R97-D132 PolarHBondContact NH2-O 3.04Å
133C97.8Very high98.1Very high26 Ų2656.1 Ų56.118%0.17629%0.287CS..PPolyproline II helixtrans-62.4151.6172.870.20000111.2S94 T95 M130 K131S94-C133 CarbonylContact O-C 3.55Å; S94-C133 WeakPolarHBondContact O-CA 3.45Å; T95-C133 HydrophobicContact CG2-CB 4.1Å; M130-C133 HydrophobicContact CB-CB 4.49Å; M130-C133 WeakPolarHBondContact O-CB 3.31Å; M130-C133 PolarHBondContact O-SG 3Å; K131-C133 PolarHBondContact O-N 3.2Å
134M98.7Very high98.1Very high8 Ų858.3 Ų58.34%0.03930%0.3CS..PPolyproline II helixtrans-69.3134171.9-68174.5-77.500110.2S94 R97 L100 Q128 E138 I139S94-M134 WeakPolarHBondContact CB-O 3.24Å; S94-M134 VanDerWaalsContact O-CE 3.24Å; S94-M134 WeakPolarHBondContact O-CE 3.26Å; S94-M134 PolarHBondContact O-N 3.48Å; R97-M134 HydrophobicContact CB-CE 4.39Å; R97-M134 HydrophobicContact CB-SD 4.42Å; R97-M134 HydrophobicContact CG-CE 3.81Å; R97-M134 HydrophobicContact CG-CG 3.86Å; R97-M134 HydrophobicContact CG-SD 3.7Å; R97-M134 VanDerWaalsContact NH1-CG 3.32Å; L100-M134 HydrophobicContact CD2-CE 4.05Å; L100-M134 HydrophobicContact CD2-SD 3.6Å; L100-M134 VanDerWaalsContact CD2-SD 3.6Å; Q128-M134 PolarHBondContact NE2-O 3.38Å; M134-E138 HydrophobicContact CB-CB 4.24Å; M134-I139 HydrophobicContact CB-CD1 3.98Å; M134-I139 HydrophobicContact CB-CG1 3.71Å; M134-I139 HydrophobicContact CE-CG1 4.38Å; M134-I139 HydrophobicContact SD-CG1 4.18Å
135S98.6Very high98.1Very high45 Ų4558.3 Ų58.332%0.31530%0.3SS..PPolyproline II helixtrans-64157.1166.261.70000111.5A137 E138 I139S135-A137 PolarHBondContact O-N 3.24Å; S135-E138 WeakPolarHBondContact CB-OE2 3.46Å; S135-E138 PolarHBondContact N-OE2 2.78Å; S135-E138 PolarHBondContact O-N 3.36Å; S135-E138 VanDerWaalsContact O-N 3.11Å; S135-E138 WeakPolarHBondContact OG-CG 3.11Å; S135-E138 PolarHBondContact OG-N 2.92Å; S135-E138 PolarHBondContact OG-OE2 3.17Å; S135-I139 PolarHBondContact O-N 3.2Å
136A98.6Very high98Very high17 Ų1762.1 Ų62.114%0.1433%0.327CS..Hα-helixtrans-54.5-33.2170.200000112.4A125 S140 I155 S157A125-A136 HydrophobicContact CB-CB 4.17Å; A136-S140 WeakPolarHBondContact O-CB 3.42Å; A136-S140 PolarHBondContact O-N 3.19Å; A136-I155 HydrophobicContact CB-CD1 4.16Å; A136-I155 HydrophobicContact CB-CG1 4.06Å; A136-I155 WeakPolarHBondContact O-CD1 3.29Å; A136-S157 WeakPolarHBondContact CB-OG 3.5Å
137A98.6Very high98Very high74 Ų7465.1 Ų65.161%0.61235%0.348SS*.Hα-helixtrans-67-42.9176.900000112.7S135 S140 K141S135-A137 PolarHBondContact O-N 3.24Å; A137-S140 PolarHBondContact O-N 2.92Å; A137-K141 WeakPolarHBondContact O-CB 3.26Å; A137-K141 PolarHBondContact O-N 3.44Å
138E98.6Very high98Very high82 Ų8263.6 Ų63.638%0.38334%0.342SS..Hα-helixtrans-62.7-46.9174.5-76165.310100111.4R97 M134 S135 K141 Y142R97-E138 IonicContact CZ-OE1 2.68Å; R97-E138 IonicContact NH1-OE1 3.07Å; R97-E138 PolarHBondContact NH1-OE1 3.04Å; R97-E138 VanDerWaalsContact NH1-OE1 3.11Å; R97-E138 IonicContact NH2-OE1 2.67Å; M134-E138 HydrophobicContact CB-CB 4.24Å; S135-E138 WeakPolarHBondContact CB-OE2 3.46Å; S135-E138 PolarHBondContact N-OE2 2.78Å; S135-E138 PolarHBondContact O-N 3.36Å; S135-E138 VanDerWaalsContact O-N 3.11Å; S135-E138 WeakPolarHBondContact OG-CG 3.11Å; S135-E138 PolarHBondContact OG-N 2.92Å; S135-E138 PolarHBondContact OG-OE2 3.17Å; E138-K141 PolarHBondContact O-N 2.63Å; E138-Y142 WeakPolarHBondContact O-CB 3.43Å; E138-Y142 PolarHBondContact O-N 2.86Å
139I98.8Very high97.9Very high0 Ų069.2 Ų69.20%037%0.365CS..Hα-helixtrans-60.8-47.7177.5-68165.2000110.1V92 S94 L100 A125 M134 S135 K141 Y142 L143 I155V92-I139 HydrophobicContact CG1-CD1 4.13Å; V92-I139 HydrophobicContact CG1-CG1 4.49Å; V92-I139 HydrophobicContact CG1-CG2 4.2Å; V92-I139 HydrophobicContact CG2-CG2 4.49Å; S94-I139 WeakPolarHBondContact OG-CD1 3.47Å; L100-I139 HydrophobicContact CD1-CG2 4.44Å; A125-I139 HydrophobicContact CB-CD1 3.54Å; M134-I139 HydrophobicContact CB-CD1 3.98Å; M134-I139 HydrophobicContact CB-CG1 3.71Å; M134-I139 HydrophobicContact CE-CG1 4.38Å; M134-I139 HydrophobicContact SD-CG1 4.18Å; S135-I139 PolarHBondContact O-N 3.2Å; I139-K141 VanDerWaalsContact C-N 3.32Å; I139-K141 PolarHBondContact O-N 2.94Å; I139-Y142 PolarHBondContact O-N 3.2Å; I139-L143 HydrophobicContact CG2-CD1 3.64Å; I139-L143 HydrophobicContact CG2-CG 4.05Å; I139-L143 WeakPolarHBondContact O-CB 3.44Å; I139-L143 WeakPolarHBondContact O-CG 3.08Å; I139-L143 PolarHBondContact O-N 3.25Å; I139-I155 HydrophobicContact CB-CD1 4.07Å; I139-I155 HydrophobicContact CG2-CD1 3.79Å
140S98.8Very high97.8Very high24 Ų2470.7 Ų70.717%0.16837%0.373CS..Hα-helixtrans-56.6-45.9178.2-178.20000112.1A136 A137 T144 L145A136-S140 WeakPolarHBondContact O-CB 3.42Å; A136-S140 PolarHBondContact O-N 3.19Å; A137-S140 PolarHBondContact O-N 2.92Å; S140-T144 PolarHBondContact O-N 3.15Å; S140-T144 VanDerWaalsContact O-N 3.1Å; S140-L145 PolarHBondContact O-N 3.18Å
141K98.6Very high97.8Very high173 Ų17366.3 Ų66.375%0.75235%0.352SS*.Hα-helixtrans-62.9-46177.1-176.6179.3178.3-177.90111.5A137 E138 I139 T144A137-K141 WeakPolarHBondContact O-CB 3.26Å; A137-K141 PolarHBondContact O-N 3.44Å; E138-K141 PolarHBondContact O-N 2.63Å; I139-K141 VanDerWaalsContact C-N 3.32Å; I139-K141 PolarHBondContact O-N 2.94Å; K141-T144 PolarHBondContact O-N 3.29Å; K141-T144 VanDerWaalsContact O-N 3.17Å
142Y98.6Very high97.9Very high111 Ų11160.1 Ų60.144%0.43533%0.331SS..Hα-helixtrans-66.7-47-177.4-169.7-79.8000112.3L100 K104 E138 I139 T144L100-Y142 HydrophobicContact CB-CD1 4.16Å; L100-Y142 HydrophobicContact CB-CE1 3.94Å; L100-Y142 HydrophobicContact CD2-CD1 3.36Å; L100-Y142 HydrophobicContact CD2-CD2 4.1Å; L100-Y142 HydrophobicContact CD2-CE1 3.98Å; L100-Y142 HydrophobicContact CD2-CG 3.42Å; L100-Y142 VanDerWaalsContact CD2-CG 3.42Å; L100-Y142 HydrophobicContact CG-CD1 3.46Å; L100-Y142 VanDerWaalsContact CG-CD1 3.46Å; L100-Y142 HydrophobicContact CG-CE1 3.76Å; L100-Y142 HydrophobicContact CG-CG 4.09Å; K104-Y142 PolarHBondContact NZ-O 3.02Å; E138-Y142 WeakPolarHBondContact O-CB 3.43Å; E138-Y142 PolarHBondContact O-N 2.86Å; I139-Y142 PolarHBondContact O-N 3.2Å; Y142-T144 PolarHBondContact O-N 3.12Å; Y142-T144 VanDerWaalsContact O-N 3.14Å
143L98.6Very high98.2Very high0 Ų056.9 Ų56.90%031%0.307CS..THydrogen-bonded Turntrans-69.4-4.9175-61.7-175.1000112.8L90 V92 L100 K104 Y108 I139 L145L90-L143 HydrophobicContact CD2-CD1 4.38Å; V92-L143 HydrophobicContact CG2-CD1 4.29Å; L100-L143 HydrophobicContact CD1-CD2 3.88Å; L100-L143 HydrophobicContact CD1-CG 4.33Å; L100-L143 HydrophobicContact CG-CD2 4.14Å; K104-L143 HydrophobicContact CB-CD2 3.7Å; K104-L143 HydrophobicContact CG-CD2 4.31Å; Y108-L143 VanDerWaalsContact CE2-O 3.27Å; Y108-L143 WeakPolarHBondContact CE2-O 3.43Å; Y108-L143 PolarHBondContact OH-O 3.1Å; I139-L143 HydrophobicContact CG2-CD1 3.64Å; I139-L143 HydrophobicContact CG2-CG 4.05Å; I139-L143 WeakPolarHBondContact O-CB 3.44Å; I139-L143 WeakPolarHBondContact O-CG 3.08Å; I139-L143 PolarHBondContact O-N 3.25Å; L143-L145 HydrophobicContact CB-CD2 3.7Å; L143-L145 HydrophobicContact CB-CG 3.98Å; L143-L145 HydrophobicContact CD1-CD2 4.24Å; L143-L145 PolarHBondContact O-N 3.48Å
144T98.3Very high98.2Very high45 Ų4558.2 Ų58.228%0.27631%0.311SS..THydrogen-bonded Turntrans52.540.3-178.150.80000112.5K104 Y108 S140 K141 Y142 S146 S147K104-T144 VanDerWaalsContact CE-OG1 3.26Å; K104-T144 WeakPolarHBondContact CE-OG1 3.28Å; K104-T144 VanDerWaalsContact NZ-CG2 3.34Å; K104-T144 PolarHBondContact NZ-OG1 3.38Å; Y108-T144 PolarHBondContact OH-O 2.83Å; Y108-T144 PolarHBondContact OH-OG1 3.11Å; S140-T144 PolarHBondContact O-N 3.15Å; S140-T144 VanDerWaalsContact O-N 3.1Å; K141-T144 PolarHBondContact O-N 3.29Å; K141-T144 VanDerWaalsContact O-N 3.17Å; Y142-T144 PolarHBondContact O-N 3.12Å; Y142-T144 VanDerWaalsContact O-N 3.14Å; T144-S146 PolarHBondContact O-N 3.42Å; T144-S147 PolarHBondContact O-N 2.98Å; T144-S147 PolarHBondContact O-OG 2.98Å
145L98.5Very high98.2Very high0 Ų059 Ų590%032%0.315CS..G310 helixtrans-56.8-29.2-174-59.8-176.4000112.8L107 I123 S140 L143 S147 I148 W153 I155L107-L145 HydrophobicContact CD2-CD2 3.73Å; I123-L145 HydrophobicContact CD1-CD1 3.91Å; I123-L145 HydrophobicContact CD1-CD2 4.26Å; I123-L145 HydrophobicContact CG1-CD1 4.18Å; I123-L145 HydrophobicContact CG1-CD2 4.43Å; S140-L145 PolarHBondContact O-N 3.18Å; L143-L145 HydrophobicContact CB-CD2 3.7Å; L143-L145 HydrophobicContact CB-CG 3.98Å; L143-L145 HydrophobicContact CD1-CD2 4.24Å; L143-L145 PolarHBondContact O-N 3.48Å; L145-S147 PolarHBondContact O-N 2.88Å; L145-S147 VanDerWaalsContact O-N 3.15Å; L145-I148 HydrophobicContact CD2-CD1 3.83Å; L145-I148 WeakPolarHBondContact O-CB 3.27Å; L145-I148 PolarHBondContact O-N 3.43Å; L145-W153 HydrophobicContact CB-CD2 4.13Å; L145-W153 HydrophobicContact CB-CE3 4.07Å; L145-W153 HydrophobicContact CB-CH2 3.86Å; L145-W153 HydrophobicContact CB-CZ2 3.89Å; L145-W153 HydrophobicContact CB-CZ3 3.95Å; L145-W153 HydrophobicContact CD1-CE3 4Å; L145-W153 HydrophobicContact CD1-CZ3 3.96Å; L145-W153 PolarHBondContact O-NE1 2.86Å; L145-W153 VanDerWaalsContact O-NE1 3.11Å; L145-I155 HydrophobicContact CD1-CB 4.15Å; L145-I155 HydrophobicContact CD1-CD1 4.06Å
146S97.9Very high98.2Very high80 Ų8058.7 Ų58.756%0.55931%0.309SS*.G310 helixtrans-60.6-20.617558.10000114.9T144 K149T144-S146 PolarHBondContact O-N 3.42Å; S146-K149 VanDerWaalsContact O-CE 3.3Å; S146-K149 WeakPolarHBondContact O-CE 3.46Å; S146-K149 PolarHBondContact O-NZ 3.4Å
147S97.8Very high98.2Very high68 Ų6859.8 Ų59.848%0.47632%0.315SS..G310 helixtrans-82.1-13.8174.7580000113.7Y108 T144 L145 K149Y108-S147 PolarHBondContact OH-OG 3.42Å; Y108-S147 VanDerWaalsContact OH-OG 3.11Å; T144-S147 PolarHBondContact O-N 2.98Å; T144-S147 PolarHBondContact O-OG 2.98Å; L145-S147 PolarHBondContact O-N 2.88Å; L145-S147 VanDerWaalsContact O-N 3.15Å; S147-K149 PolarHBondContact O-N 2.7Å
148I98Very high98.2Very high7 Ų756.4 Ų56.44%0.03629%0.287CS..  trans-75.3115.2174.5-55.8168000107.7L107 Y108 L111 L145 H151 W153L107-I148 HydrophobicContact CD2-CD1 4.24Å; Y108-I148 HydrophobicContact CE1-CG1 4.22Å; L111-I148 HydrophobicContact CD1-CD1 3.67Å; L111-I148 HydrophobicContact CD1-CG1 4.02Å; L111-I148 HydrophobicContact CD1-CG2 4.12Å; L145-I148 HydrophobicContact CD2-CD1 3.83Å; L145-I148 WeakPolarHBondContact O-CB 3.27Å; L145-I148 PolarHBondContact O-N 3.43Å; I148-H151 HydrophobicContact CG2-CB 3.81Å; I148-W153 PolarHBondContact O-NE1 2.98Å
149K96.5Very high98.2Very high172 Ų17252.6 Ų52.675%0.74827%0.27SS*.  trans-118.7-24.4-175.2-61.7-52.3-172.6-165.20113.5S146 S147S146-K149 VanDerWaalsContact O-CE 3.3Å; S146-K149 WeakPolarHBondContact O-CE 3.46Å; S146-K149 PolarHBondContact O-NZ 3.4Å; S147-K149 PolarHBondContact O-N 2.7Å
150D96Very high98.1Very high117 Ų11752.8 Ų52.863%0.62627%0.271SS*.SBendtrans-87.9-19.1-177.146.8-12.3000113.1
151H97.7Very high97.9Very high7 Ų756 Ų563%0.03229%0.286CS..SBendtrans-117.4133.8175.6-59.8-97.1000111.9L116 A119 V121 I148 W153L116-H151 PolarHBondContact O-CE1 3.46Å; A119-H151 PolarHBondContact O-ND1 3.23Å; V121-H151 HydrophobicContact CG2-CB 4.13Å; I148-H151 HydrophobicContact CG2-CB 3.81Å; H151-W153 PolarHBondContact O-N 3.38Å
152P97.8Very high97.7Very high59 Ų5952 Ų5238%0.38328%0.276SS..  trans-61.7134.1162.7-16.630.2000109.4A120 V121A120-P152 CarbonylContact C-O 3.42Å; A120-P152 WeakPolarHBondContact CA-O 3.15Å; A120-P152 HydrophobicContact CB-CB 4.22Å; A120-P152 HydrophobicContact CB-CG 4.47Å; V121-P152 PolarHBondContact N-O 2.94Å
153W98.6Very high97.5Very high79 Ų7947.6 Ų47.630%0.29926%0.264SS..EExtended strand (participates in β ladder)trans-140.2158.4177.263.6-95.2000113V121 I123 L145 I148 H151 I155V121-W153 HydrophobicContact CB-CB 4.06Å; V121-W153 CarbonylContact O-C 3.57Å; V121-W153 WeakPolarHBondContact O-CA 3.38Å; V121-W153 WeakPolarHBondContact O-CB 3.3Å; I123-W153 HydrophobicContact CD1-CB 4.28Å; L145-W153 HydrophobicContact CB-CD2 4.13Å; L145-W153 HydrophobicContact CB-CE3 4.07Å; L145-W153 HydrophobicContact CB-CH2 3.86Å; L145-W153 HydrophobicContact CB-CZ2 3.89Å; L145-W153 HydrophobicContact CB-CZ3 3.95Å; L145-W153 HydrophobicContact CD1-CE3 4Å; L145-W153 HydrophobicContact CD1-CZ3 3.96Å; L145-W153 PolarHBondContact O-NE1 2.86Å; L145-W153 VanDerWaalsContact O-NE1 3.11Å; I148-W153 PolarHBondContact O-NE1 2.98Å; H151-W153 PolarHBondContact O-N 3.38Å; W153-I155 HydrophobicContact CZ3-CG2 4.2Å
154H98.7Very high97.4Very high55 Ų5554.5 Ų54.526%0.25530%0.297SS..EExtended strand (participates in β ladder)trans-144.6146.2171-179.561.3000109.9V121 L122 I123 Q156 W172V121-H154 PolarHBondContact O-N 3.02Å; L122-H154 HydrophobicContact CD1-CB 4.24Å; I123-H154 VanDerWaalsContact CD1-O 3.27Å; I123-H154 WeakPolarHBondContact CD1-O 3.32Å; I123-H154 PolarHBondContact N-O 3.19Å; H154-Q156 PolarHBondContact NE2-OE1 2.73Å; H154-W172 HydrophobicContact CB-CD2 3.46Å; H154-W172 VanDerWaalsContact CB-CD2 3.46Å; H154-W172 HydrophobicContact CB-CE3 4Å; H154-W172 HydrophobicContact CB-CG 3.75Å; H154-W172 HydrophobicContact CB-CH2 4.22Å; H154-W172 HydrophobicContact CB-CZ2 3.72Å; H154-W172 HydrophobicContact CB-CZ3 4.35Å; H154-W172 AromaticContact CG-CD1 3.89Å; H154-W172 AromaticContact CG-CG 3.93Å
155I98.8Very high97.4Very high25 Ų2552.6 Ų52.613%0.12829%0.286CS..EExtended strand (participates in β ladder)trans-118.3133.1172-173.3164.7000109.5I123 A125 A136 I139 L145 W153I123-I155 HydrophobicContact CB-CB 4.17Å; I123-I155 HydrophobicContact CB-CD1 4.34Å; I123-I155 HydrophobicContact CB-CG1 3.99Å; I123-I155 HydrophobicContact CG2-CD1 3.97Å; I123-I155 HydrophobicContact CG2-CG1 4.03Å; I123-I155 CarbonylContact O-C 3.54Å; I123-I155 WeakPolarHBondContact O-CA 3.33Å; A125-I155 HydrophobicContact CB-CD1 4.48Å; A125-I155 HydrophobicContact CB-CG1 4.47Å; A136-I155 HydrophobicContact CB-CD1 4.16Å; A136-I155 HydrophobicContact CB-CG1 4.06Å; A136-I155 WeakPolarHBondContact O-CD1 3.29Å; I139-I155 HydrophobicContact CB-CD1 4.07Å; I139-I155 HydrophobicContact CG2-CD1 3.79Å; L145-I155 HydrophobicContact CD1-CB 4.15Å; L145-I155 HydrophobicContact CD1-CD1 4.06Å; W153-I155 HydrophobicContact CZ3-CG2 4.2Å
156Q98.8Very high97.3Very high37 Ų3752.8 Ų52.817%0.17329%0.287CS..EExtended strand (participates in β ladder)trans-130.5121-175.4-175.955.857.900109.7L122 I123 F124 A125 H154 G165 Q168L122-Q156 HydrophobicContact CD1-CB 4.42Å; I123-Q156 PolarHBondContact O-N 2.96Å; F124-Q156 WeakPolarHBondContact CA-O 3.42Å; F124-Q156 HydrophobicContact CD1-CB 3.97Å; F124-Q156 HydrophobicContact CD1-CG 4.19Å; F124-Q156 HydrophobicContact CE1-CB 3.99Å; F124-Q156 HydrophobicContact CE1-CG 3.88Å; A125-Q156 PolarHBondContact N-O 3.16Å; H154-Q156 PolarHBondContact NE2-OE1 2.73Å; Q156-G165 WeakPolarHBondContact CG-O 3.45Å; Q156-Q168 HydrophobicContact CG-CB 4.38Å
157S98.7Very high97.1Very high40 Ų4052.3 Ų52.328%0.2828%0.283SS..EExtended strand (participates in β ladder)trans-63.3133.2165-79.20000109.1Q128 A136 G165Q128-S157 PolarHBondContact OE1-OG 2.7Å; A136-S157 WeakPolarHBondContact CB-OG 3.5Å; S157-G165 WeakPolarHBondContact O-CA 3.4Å
158C98.6Very high97.1Very high3 Ų353.5 Ų53.52%0.0228%0.281CS..  trans-149.7164.9176.970.90000113.9F124 A125 N126 K127 Q128 E164 L166F124-C158 HydrophobicContact CD1-CB 3.84Å; F124-C158 WeakPolarHBondContact CD1-SG 3.3Å; F124-C158 HydrophobicContact CE1-CB 4.24Å; A125-C158 PolarHBondContact O-N 3.2Å; N126-C158 CarbonylContact C-O 3.54Å; N126-C158 WeakPolarHBondContact CA-O 3.33Å; N126-C158 VanDerWaalsContact CA-SG 3.58Å; K127-C158 PolarHBondContact N-O 3.15Å; Q128-C158 WeakPolarHBondContact CG-O 3.32Å; Q128-C158 PolarHBondContact N-O 3.27Å; C158-E164 CarbonylContact C-O 3.52Å; C158-E164 WeakPolarHBondContact CA-O 3.41Å; C158-E164 WeakPolarHBondContact CB-O 3.39Å; C158-L166 HydrophobicContact CB-CD2 3.65Å; C158-L166 HydrophobicContact CB-CG 4.38Å
159C98.1Very high97Very high3 Ų353.1 Ų53.12%0.0228%0.279CS..  trans-126.9111.5165.1175.90000108.9D129 L161 T162 G163 E164D129-C159 HydrophobicContact CB-CB 4.47Å; D129-C159 VanDerWaalsContact CG-SG 3.51Å; D129-C159 PolarHBondContact OD1-SG 3.38Å; C159-L161 PolarHBondContact O-N 3.19Å; C159-T162 WeakPolarHBondContact CB-OG1 3.49Å; C159-T162 PolarHBondContact O-N 3.14Å; C159-G163 WeakPolarHBondContact O-CA 3.16Å; C159-G163 PolarHBondContact O-N 2.62Å; C159-E164 PolarHBondContact N-O 3.13Å
160A96.8Very high96.9Very high4 Ų445.6 Ų45.63%0.03325%0.247CC..THydrogen-bonded Turntrans-61.5-25.2178.800000113.4T32 I33 Q36 N126T32-A160 HydrophobicContact CG2-CB 3.79Å; I33-A160 HydrophobicContact CD1-CB 4.45Å; I33-A160 HydrophobicContact CG1-CB 3.58Å; Q36-A160 PolarHBondContact OE1-O 3.21Å; N126-A160 WeakPolarHBondContact OD1-CB 3.41Å; N126-A160 PolarHBondContact OD1-N 3.24Å
161L94.5Very high96.8Very high91 Ų9144.5 Ų44.548%0.47624%0.238SC..THydrogen-bonded Turntrans-81.3-24.7180-57.9178.3000113.1T32 V42 C159T32-L161 HydrophobicContact CG2-CD2 4.09Å; V42-L161 HydrophobicContact CG1-CD2 3.57Å; V42-L161 HydrophobicContact CG2-CB 4.46Å; V42-L161 WeakPolarHBondContact CG2-O 3.26Å; C159-L161 PolarHBondContact O-N 3.19Å
162T94.3Very high96.7Very high89 Ų8945.7 Ų45.755%0.54624%0.242SC..THydrogen-bonded Turntrans-106.3-15.3178.265.10000112.4C159 E164C159-T162 WeakPolarHBondContact CB-OG1 3.49Å; C159-T162 PolarHBondContact O-N 3.14Å; T162-E164 PolarHBondContact O-N 2.86Å; T162-E164 WeakPolarHBondContact OG1-CB 3.42Å; T162-E164 PolarHBondContact OG1-N 2.67Å
163G95.1Very high96.6Very high18 Ų1842.9 Ų42.919%0.18622%0.224CC..  trans77.6-2.1-170.500000113.9C159 G165 L166C159-G163 WeakPolarHBondContact O-CA 3.16Å; C159-G163 PolarHBondContact O-N 2.62Å; G163-G165 PolarHBondContact O-N 3.27Å; G163-L166 WeakPolarHBondContact O-CB 3.21Å; G163-L166 PolarHBondContact O-N 2.84Å
164E96.9Very high96.3Very high145 Ų14540.2 Ų40.268%0.67822%0.217SC*.THydrogen-bonded Turntrans-59.5134.3178.6-172.7178.7-179.300110.7C158 C159 T162 L166C158-E164 CarbonylContact C-O 3.52Å; C158-E164 WeakPolarHBondContact CA-O 3.41Å; C158-E164 WeakPolarHBondContact CB-O 3.39Å; C159-E164 PolarHBondContact N-O 3.13Å; T162-E164 PolarHBondContact O-N 2.86Å; T162-E164 WeakPolarHBondContact OG1-CB 3.42Å; T162-E164 PolarHBondContact OG1-N 2.67Å; E164-L166 PolarHBondContact O-N 2.89Å
165G97.4Very high96Very high5 Ų540.8 Ų40.85%0.05223%0.227CC..THydrogen-bonded Turntrans81.8-19.5179.600000115Q156 S157 G163 Q168 G169Q156-G165 WeakPolarHBondContact CG-O 3.45Å; S157-G165 WeakPolarHBondContact O-CA 3.4Å; G163-G165 PolarHBondContact O-N 3.27Å; G165-Q168 PolarHBondContact O-N 2.91Å; G165-Q168 PolarHBondContact O-OE1 2.66Å; G165-G169 PolarHBondContact O-N 3.05Å
166L96.4Very high95.6Very high4 Ų444.4 Ų44.42%0.02124%0.239CC..Hα-helixtrans-68.5-40-174.9-64-169.7000112.5I33 Q36 F37 F124 C158 G163 E164 Q168 G169 L170I33-L166 HydrophobicContact CD1-CD2 4.13Å; I33-L166 HydrophobicContact CG1-CD1 4.44Å; I33-L166 HydrophobicContact CG1-CD2 3.98Å; I33-L166 HydrophobicContact CG2-CD1 4.43Å; I33-L166 HydrophobicContact CG2-CD2 4.16Å; Q36-L166 HydrophobicContact CB-CD1 3.8Å; Q36-L166 HydrophobicContact CG-CD1 3.53Å; F37-L166 HydrophobicContact CD1-CB 4.48Å; F37-L166 HydrophobicContact CE1-CB 3.71Å; F37-L166 HydrophobicContact CE1-CD1 4.26Å; F37-L166 HydrophobicContact CE1-CG 4.46Å; F37-L166 HydrophobicContact CZ-CB 4.41Å; F124-L166 HydrophobicContact CD1-CD2 4.09Å; F124-L166 HydrophobicContact CD2-CD2 4.49Å; F124-L166 HydrophobicContact CE1-CD2 3.75Å; F124-L166 HydrophobicContact CE2-CD2 4.18Å; F124-L166 HydrophobicContact CG-CD2 4.46Å; F124-L166 HydrophobicContact CZ-CD2 3.79Å; C158-L166 HydrophobicContact CB-CD2 3.65Å; C158-L166 HydrophobicContact CB-CG 4.38Å; G163-L166 WeakPolarHBondContact O-CB 3.21Å; G163-L166 PolarHBondContact O-N 2.84Å; E164-L166 PolarHBondContact O-N 2.89Å; L166-Q168 VanDerWaalsContact C-N 3.35Å; L166-Q168 PolarHBondContact O-N 3.16Å; L166-G169 PolarHBondContact O-N 3.18Å; L166-L170 PolarHBondContact O-N 3.35Å
167C93.9Very high95Very high71 Ų7143 Ų4348%0.4823%0.234SC..Hα-helixtrans-60.2-44.1177.9-171.90000111.6G169 L170 E171C167-G169 VanDerWaalsContact C-N 3.29Å; C167-G169 PolarHBondContact O-N 2.77Å; C167-L170 PolarHBondContact O-N 2.86Å; C167-L170 VanDerWaalsContact O-N 3.16Å; C167-E171 WeakPolarHBondContact O-CG 2.94Å; C167-E171 PolarHBondContact O-N 2.91Å
168Q96.5Very high93.5Very high92 Ų9244.3 Ų44.343%0.4325%0.253SS..Hα-helixtrans-62.7-37.4179-64.683.4-8.300111.8Q156 G165 L166 W172Q156-Q168 HydrophobicContact CG-CB 4.38Å; G165-Q168 PolarHBondContact O-N 2.91Å; G165-Q168 PolarHBondContact O-OE1 2.66Å; L166-Q168 VanDerWaalsContact C-N 3.35Å; L166-Q168 PolarHBondContact O-N 3.16Å; Q168-W172 PolarHBondContact O-N 3.12Å; Q168-W172 VanDerWaalsContact O-N 3.11Å
169G97.1Very high91.5Very high0 Ų050.1 Ų50.10%028%0.283CS..Hα-helixtrans-64.1-45.1173.800000112.4G165 L166 C167 W172 M173G165-G169 PolarHBondContact O-N 3.05Å; L166-G169 PolarHBondContact O-N 3.18Å; C167-G169 VanDerWaalsContact C-N 3.29Å; C167-G169 PolarHBondContact O-N 2.77Å; G169-W172 WeakPolarHBondContact O-CB 3.17Å; G169-W172 PolarHBondContact O-N 2.64Å; G169-M173 PolarHBondContact O-N 3.23Å; G169-M173 VanDerWaalsContact O-N 3.13Å
170L93.9Very high89.2Confident14 Ų1459 Ų597%0.07332%0.316CS..Hα-helixtrans-63.9-42.7175.4-76.6179.7000112.7F37 V58 M65 L166 C167 W172 M173 T174F37-L170 HydrophobicContact CD1-CD1 3.39Å; F37-L170 HydrophobicContact CD1-CG 4.08Å; F37-L170 HydrophobicContact CE1-CD1 3.22Å; F37-L170 HydrophobicContact CE1-CD2 3.99Å; F37-L170 HydrophobicContact CE1-CG 3.41Å; F37-L170 VanDerWaalsContact CE1-CG 3.41Å; F37-L170 HydrophobicContact CE2-CD2 4.08Å; F37-L170 HydrophobicContact CE2-CG 4.4Å; F37-L170 HydrophobicContact CG-CD1 4.14Å; F37-L170 HydrophobicContact CZ-CD1 3.92Å; F37-L170 HydrophobicContact CZ-CD2 3.75Å; F37-L170 HydrophobicContact CZ-CG 3.63Å; V58-L170 HydrophobicContact CG2-CB 4.44Å; V58-L170 HydrophobicContact CG2-CD1 3.75Å; V58-L170 HydrophobicContact CG2-CD2 4.16Å; V58-L170 HydrophobicContact CG2-CG 4.35Å; M65-L170 HydrophobicContact CE-CD2 3.97Å; L166-L170 PolarHBondContact O-N 3.35Å; C167-L170 PolarHBondContact O-N 2.86Å; C167-L170 VanDerWaalsContact O-N 3.16Å; L170-W172 VanDerWaalsContact C-N 3.26Å; L170-W172 PolarHBondContact O-N 2.96Å; L170-M173 HydrophobicContact CD2-SD 4.43Å; L170-M173 WeakPolarHBondContact O-CB 3.4Å; L170-M173 PolarHBondContact O-N 3.04Å; L170-T174 PolarHBondContact O-N 3.39Å; L170-T174 PolarHBondContact O-OG1 2.65Å; L170-T174 VanDerWaalsContact O-OG1 3.13Å
171E93.9Very high88.8Confident94 Ų9461.7 Ų61.744%0.43933%0.331SS..Hα-helixtrans-59.5-39.6176.9-74.9-177.915100111.7C167 T174 S175C167-E171 WeakPolarHBondContact O-CG 2.94Å; C167-E171 PolarHBondContact O-N 2.91Å; E171-T174 PolarHBondContact O-N 2.83Å; E171-S175 WeakPolarHBondContact O-CB 3.43Å; E171-S175 PolarHBondContact O-N 3.13Å
172W96.3Very high88.5Confident31 Ų3160.2 Ų60.212%0.11732%0.323CS..Hα-helixtrans-60.8-46.5172.1178.787.3000111.6A120 V121 L122 H154 Q168 G169 L170 S175 R176A120-W172 HydrophobicContact CB-CH2 3.9Å; A120-W172 HydrophobicContact CB-CZ3 4.41Å; V121-W172 WeakPolarHBondContact O-CH2 3.19Å; L122-W172 HydrophobicContact CB-CE3 4.15Å; L122-W172 HydrophobicContact CB-CZ3 3.85Å; L122-W172 HydrophobicContact CD1-CE3 4.14Å; H154-W172 HydrophobicContact CB-CD2 3.46Å; H154-W172 VanDerWaalsContact CB-CD2 3.46Å; H154-W172 HydrophobicContact CB-CE3 4Å; H154-W172 HydrophobicContact CB-CG 3.75Å; H154-W172 HydrophobicContact CB-CH2 4.22Å; H154-W172 HydrophobicContact CB-CZ2 3.72Å; H154-W172 HydrophobicContact CB-CZ3 4.35Å; H154-W172 AromaticContact CG-CD1 3.89Å; H154-W172 AromaticContact CG-CG 3.93Å; Q168-W172 PolarHBondContact O-N 3.12Å; Q168-W172 VanDerWaalsContact O-N 3.11Å; G169-W172 WeakPolarHBondContact O-CB 3.17Å; G169-W172 PolarHBondContact O-N 2.64Å; L170-W172 VanDerWaalsContact C-N 3.26Å; L170-W172 PolarHBondContact O-N 2.96Å; W172-S175 PolarHBondContact O-N 3.37Å; W172-S175 PolarHBondContact O-OG 2.9Å; W172-R176 HydrophobicContact CD2-CG 4.47Å; W172-R176 HydrophobicContact CZ2-CG 4.3Å; W172-R176 WeakPolarHBondContact O-CG 3.49Å; W172-R176 PolarHBondContact O-N 3.28Å
173M95.4Very high88.2Confident0 Ų058.6 Ų58.60%031%0.31CS..Hα-helixtrans-60.8-47.3176.5-69.6176.956.500112.1V20 F63 F87 I89 L122 G169 L170 S175 R176 A177V20-M173 HydrophobicContact CG1-CE 3.98Å; V20-M173 HydrophobicContact CG2-CE 3.75Å; F63-M173 HydrophobicContact CD1-CE 3.93Å; F63-M173 HydrophobicContact CE1-CB 4.27Å; F63-M173 HydrophobicContact CE1-CE 3.82Å; F63-M173 HydrophobicContact CZ-CB 4.12Å; F63-M173 HydrophobicContact CZ-CE 4.47Å; F87-M173 HydrophobicContact CB-CE 3.65Å; F87-M173 HydrophobicContact CD1-CB 4.31Å; F87-M173 HydrophobicContact CD1-CE 4.1Å; F87-M173 HydrophobicContact CD1-CG 4.04Å; F87-M173 HydrophobicContact CD2-CE 4.09Å; F87-M173 HydrophobicContact CE1-CB 4.2Å; F87-M173 HydrophobicContact CE1-CG 4.36Å; F87-M173 HydrophobicContact CG-CE 3.69Å; F87-M173 WeakPolarHBondContact CZ-O 3.27Å; I89-M173 HydrophobicContact CD1-CE 4.18Å; I89-M173 HydrophobicContact CD1-SD 3.76Å; I89-M173 HydrophobicContact CG1-CE 4.39Å; I89-M173 HydrophobicContact CG1-SD 3.93Å; L122-M173 HydrophobicContact CB-CG 4.4Å; L122-M173 HydrophobicContact CB-SD 4.37Å; L122-M173 HydrophobicContact CD2-CG 3.98Å; L122-M173 HydrophobicContact CD2-SD 3.59Å; L122-M173 VanDerWaalsContact CD2-SD 3.59Å; G169-M173 PolarHBondContact O-N 3.23Å; G169-M173 VanDerWaalsContact O-N 3.13Å; L170-M173 HydrophobicContact CD2-SD 4.43Å; L170-M173 WeakPolarHBondContact O-CB 3.4Å; L170-M173 PolarHBondContact O-N 3.04Å; M173-S175 VanDerWaalsContact C-N 3.28Å; M173-S175 PolarHBondContact O-N 3.22Å; M173-R176 WeakPolarHBondContact O-CB 3.44Å; M173-R176 PolarHBondContact O-N 3.15Å; M173-A177 PolarHBondContact O-N 3.38Å
174T92.6Very high87.8Confident23 Ų2360.9 Ų60.914%0.14132%0.318CS..Hα-helixtrans-58.6-39.7176.6-57.50000111.7L170 E171 R176 A177 G178L170-T174 PolarHBondContact O-N 3.39Å; L170-T174 PolarHBondContact O-OG1 2.65Å; L170-T174 VanDerWaalsContact O-OG1 3.13Å; E171-T174 PolarHBondContact O-N 2.83Å; T174-R176 PolarHBondContact O-N 3.3Å; T174-A177 PolarHBondContact O-N 3.09Å; T174-G178 PolarHBondContact O-N 2.68Å
175S92.4Very high87.2Confident67 Ų6755.7 Ų55.747%0.46930%0.295SS..Hα-helixtrans-63.2-24.9176.781.30000113.4E171 W172 M173 L179E171-S175 WeakPolarHBondContact O-CB 3.43Å; E171-S175 PolarHBondContact O-N 3.13Å; W172-S175 PolarHBondContact O-N 3.37Å; W172-S175 PolarHBondContact O-OG 2.9Å; M173-S175 VanDerWaalsContact C-N 3.28Å; M173-S175 PolarHBondContact O-N 3.22Å; S175-L179 WeakPolarHBondContact O-CG 3.34Å
176R90.3Very high86.5Confident101 Ų10159.1 Ų59.138%0.38131%0.312SS..Hα-helixtrans-89-35.7177-62.7-58.7-175.8176.7-0.2112.5F87 W172 M173 T174 G178 L179F87-R176 HydrophobicContact CE1-CB 3.78Å; F87-R176 HydrophobicContact CZ-CB 3.99Å; W172-R176 HydrophobicContact CD2-CG 4.47Å; W172-R176 HydrophobicContact CZ2-CG 4.3Å; W172-R176 WeakPolarHBondContact O-CG 3.49Å; W172-R176 PolarHBondContact O-N 3.28Å; M173-R176 WeakPolarHBondContact O-CB 3.44Å; M173-R176 PolarHBondContact O-N 3.15Å; T174-R176 PolarHBondContact O-N 3.3Å; R176-G178 PolarHBondContact O-N 2.83Å; R176-L179 PolarHBondContact O-N 3.27Å
177A85Confident85.8Confident9 Ų963 Ų637%0.07433%0.332CS..Hα-helixtrans-57.6-38.1175.700000111.8T61 F87 M173 T174 L179T61-A177 HydrophobicContact CG2-CB 3.93Å; F87-A177 HydrophobicContact CE2-CB 4.39Å; F87-A177 HydrophobicContact CZ-CB 4.2Å; M173-A177 PolarHBondContact O-N 3.38Å; T174-A177 PolarHBondContact O-N 3.09Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-L179 PolarHBondContact O-N 2.88Å
178G67.8Low85.2Confident66 Ų6662.4 Ų62.468%0.6832%0.321SS*.THydrogen-bonded Turntrans-79.82.4178.900000116.6T174 R176 R180T174-G178 PolarHBondContact O-N 2.68Å; R176-G178 PolarHBondContact O-N 2.83Å; G178-R180 VanDerWaalsContact C-N 3.32Å
179L57.7Low84.2Confident125 Ų12559.9 Ų59.965%0.65431%0.312SS*.THydrogen-bonded Turntrans-91.814.9179-68172.2000113.5S175 R176 A177S175-L179 WeakPolarHBondContact O-CG 3.34Å; R176-L179 PolarHBondContact O-N 3.27Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-L179 PolarHBondContact O-N 2.88Å
180R48.5Very low83.1Confident189 Ų18965.4 Ų65.471%0.71334%0.34SS*.  trans-91.90176.4-76.7-173.3169.7176.43.2112.6E86 G178E86-R180 IonicContact OE1-CZ 3.32Å; E86-R180 VanDerWaalsContact OE1-CZ 3.32Å; E86-R180 IonicContact OE1-NH1 2.74Å; E86-R180 PolarHBondContact OE1-NH1 2.87Å; E86-R180 IonicContact OE1-NH2 3.16Å; E86-R180 PolarHBondContact OE1-NH2 3.41Å; E86-R180 VanDerWaalsContact OE1-NH2 3.16Å; E86-R180 IonicContact OE2-CZ 3.09Å; E86-R180 IonicContact OE2-NE 3.83Å; E86-R180 IonicContact OE2-NH1 3.15Å; E86-R180 PolarHBondContact OE2-NH1 3.17Å; E86-R180 VanDerWaalsContact OE2-NH1 3.15Å; E86-R180 IonicContact OE2-NH2 2.99Å; E86-R180 PolarHBondContact OE2-NH2 3.29Å; G178-R180 VanDerWaalsContact C-N 3.32Å

Retrieved 180 of 180 residues in 61.7 ms (Link to these results)

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