A0A087Y4U3_POEFO Loading...

Unc-119 lipid binding chaperone B

AlphaFold DB , UniProt , Accession A0A087Y4U3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 185 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
1R55.3Low79.1Confident299 Ų29981.5 Ų81.5100%1.12840%0.4SS*.  0114.40-164.6176.9-172.3176.92.7106.2
2S69.1Low78.7Confident73 Ų7389.3 Ų89.351%0.5143%0.43SS..  trans-68.7138.3-174.4-49.20000111.1
3L85.2Confident79Confident57 Ų5788.6 Ų88.630%0.29844%0.435SS..  trans-76.1146.3176.3-70.9165.7000110.6L19 L171L3-L19 HydrophobicContact CD1-CB 3.61Å; L3-L19 HydrophobicContact CD1-CD1 3.96Å; L3-L19 HydrophobicContact CD1-CG 4.25Å; L3-L171 HydrophobicContact CB-CB 4.06Å; L3-L171 HydrophobicContact CB-CD2 4.15Å; L3-L171 HydrophobicContact CD1-CD2 3.95Å; L3-L171 PolarHBondContact O-N 2.91Å
4T88.4Confident79.4Confident43 Ų4384.9 Ų84.926%0.26442%0.422SS..  trans-111.9167178.765.50000111.3T6 S7 I8 N169T4-T6 VanDerWaalsContact C-N 3.26Å; T4-T6 PolarHBondContact O-N 3.4Å; T4-S7 WeakPolarHBondContact O-CB 3Å; T4-S7 PolarHBondContact O-N 2.69Å; T4-I8 PolarHBondContact O-N 2.94Å; T4-N169 WeakPolarHBondContact CA-O 3.24Å; T4-N169 WeakPolarHBondContact CG2-O 3.38Å
5T83.1Confident80Confident13 Ų1380.9 Ų80.98%0.0840%0.403CS..Hα-helixtrans-54.6-42.217653.80000112.1S7 I8 F9 I107 F166 N169T5-S7 VanDerWaalsContact C-N 3.28Å; T5-S7 PolarHBondContact O-N 3.1Å; T5-I8 PolarHBondContact O-N 3.1Å; T5-I8 VanDerWaalsContact O-N 3.08Å; T5-F9 WeakPolarHBondContact O-CD2 3.44Å; T5-F9 PolarHBondContact O-N 3.48Å; T5-I107 HydrophobicContact CG2-CD1 3.78Å; T5-F166 HydrophobicContact CG2-CB 4.44Å; T5-F166 HydrophobicContact CG2-CD1 3.92Å; T5-F166 HydrophobicContact CG2-CD2 3.84Å; T5-F166 HydrophobicContact CG2-CE1 4.1Å; T5-F166 HydrophobicContact CG2-CE2 4Å; T5-F166 HydrophobicContact CG2-CG 3.79Å; T5-F166 HydrophobicContact CG2-CZ 4.12Å; T5-N169 WeakPolarHBondContact CB-OD1 3.17Å; T5-N169 VanDerWaalsContact CG2-OD1 3.28Å; T5-N169 WeakPolarHBondContact CG2-OD1 3.41Å; T5-N169 PolarHBondContact N-OD1 3.05Å; T5-N169 PolarHBondContact OG1-OD1 2.99Å
6T82.7Confident80.3Confident86 Ų8682.3 Ų82.353%0.52842%0.424SS..Hα-helixtrans-60.5-34.9177.3-46.40000112.8T4T4-T6 VanDerWaalsContact C-N 3.26Å; T4-T6 PolarHBondContact O-N 3.4Å
7S82.9Confident80.8Confident46 Ų4684.1 Ų84.132%0.32243%0.434SS..Hα-helixtrans-68-37.2175.8-69.10000111.7T4 T5 K10T4-S7 WeakPolarHBondContact O-CB 3Å; T4-S7 PolarHBondContact O-N 2.69Å; T5-S7 VanDerWaalsContact C-N 3.28Å; T5-S7 PolarHBondContact O-N 3.1Å; S7-K10 WeakPolarHBondContact O-CB 3.29Å; S7-K10 PolarHBondContact O-N 2.99Å
8I84.8Confident81.5Confident1 Ų182.6 Ų82.61%0.00542%0.422CS..Hα-helixtrans-68.7-35.5179.1-66.1-44.3000112.3T4 T5 K10 V11 L19 I107 F164 F166T4-I8 PolarHBondContact O-N 2.94Å; T5-I8 PolarHBondContact O-N 3.1Å; T5-I8 VanDerWaalsContact O-N 3.08Å; I8-K10 PolarHBondContact O-N 3.46Å; I8-K10 VanDerWaalsContact O-N 3.09Å; I8-V11 HydrophobicContact CD1-CG2 4.34Å; I8-V11 VanDerWaalsContact O-CB 3.26Å; I8-V11 WeakPolarHBondContact O-CB 3.22Å; I8-V11 PolarHBondContact O-N 3.21Å; I8-L19 HydrophobicContact CD1-CD1 3.61Å; I8-I107 HydrophobicContact CG2-CG2 4.21Å; I8-F164 HydrophobicContact CD1-CD1 3.93Å; I8-F164 HydrophobicContact CD1-CE1 3.91Å; I8-F164 HydrophobicContact CD1-CG 4.32Å; I8-F164 HydrophobicContact CD1-CZ 4.27Å; I8-F164 HydrophobicContact CG1-CB 4.49Å; I8-F164 HydrophobicContact CG1-CD1 4.21Å; I8-F164 HydrophobicContact CG1-CD2 4.4Å; I8-F164 HydrophobicContact CG1-CG 4.11Å; I8-F164 HydrophobicContact CG2-CD2 3.47Å; I8-F164 VanDerWaalsContact CG2-CD2 3.47Å; I8-F164 HydrophobicContact CG2-CE2 3.58Å; I8-F164 HydrophobicContact CG2-CG 4.03Å; I8-F164 HydrophobicContact CG2-CZ 4.22Å; I8-F166 HydrophobicContact CB-CZ 4.37Å; I8-F166 HydrophobicContact CG1-CE1 4.38Å; I8-F166 HydrophobicContact CG1-CZ 3.61Å
9F81.8Confident82.1Confident91 Ų9181.3 Ų81.340%0.39942%0.416SS..THydrogen-bonded Turntrans-63.2-17.9174.8-73-64.2000113.9T5 I107T5-F9 WeakPolarHBondContact O-CD2 3.44Å; T5-F9 PolarHBondContact O-N 3.48Å; F9-I107 HydrophobicContact CE2-CD1 3.78Å; F9-I107 HydrophobicContact CZ-CD1 3.79Å
10K80.6Confident82.6Confident157 Ų15777.8 Ų77.868%0.68340%0.399SS*.THydrogen-bonded Turntrans-83-13173.8-62.2177.8-179.81800113.1S7 I8 K12S7-K10 WeakPolarHBondContact O-CB 3.29Å; S7-K10 PolarHBondContact O-N 2.99Å; I8-K10 PolarHBondContact O-N 3.46Å; I8-K10 VanDerWaalsContact O-N 3.09Å; K10-K12 PolarHBondContact O-N 2.78Å
11V76.2Confident83Confident30 Ų3082.7 Ų82.718%0.18241%0.412CS..  trans-76.1109.9177.9177.50000108.9I8 T13 V15 R109I8-V11 HydrophobicContact CD1-CG2 4.34Å; I8-V11 VanDerWaalsContact O-CB 3.26Å; I8-V11 WeakPolarHBondContact O-CB 3.22Å; I8-V11 PolarHBondContact O-N 3.21Å; V11-T13 WeakPolarHBondContact CG1-O 3.26Å; V11-V15 HydrophobicContact CG1-CG1 3.52Å; V11-R109 PolarHBondContact O-NH2 3.31Å
12K74.7Confident84.7Confident176 Ų17671.3 Ų71.377%0.76538%0.377SS*.  trans-88-20.8-174.5-65.6-173178.5-177.70113.7K10K10-K12 PolarHBondContact O-N 2.78Å
13T82.2Confident85.8Confident80 Ų8073.6 Ų73.649%0.49138%0.38SS..SBendtrans-131.1159.9-173.657.40000110V11 V15V11-T13 WeakPolarHBondContact CG1-O 3.26Å; T13-V15 PolarHBondContact O-N 2.77Å
14C84.9Confident86.2Confident37 Ų3774.1 Ų74.125%0.2538%0.383CS..  trans-50.8130.3166.2-172.80000109.2Y111 D162C14-Y111 HydrophobicContact CB-CD2 3.91Å; C14-Y111 HydrophobicContact CB-CE2 4.22Å; C14-Y111 HydrophobicContact CB-CG 4.33Å; C14-D162 WeakPolarHBondContact CA-OD2 3.45Å
15V87.4Confident86.5Confident24 Ų2473.8 Ų73.815%0.14538%0.38CS..  trans-80.1143.9178.9-63.20000110V11 T13 D17 L19 D162 H174 K176V11-V15 HydrophobicContact CG1-CG1 3.52Å; T13-V15 PolarHBondContact O-N 2.77Å; V15-D17 WeakPolarHBondContact CG2-O 3.14Å; V15-L19 HydrophobicContact CB-CD2 4.37Å; V15-L19 HydrophobicContact CG1-CD1 4.27Å; V15-L19 HydrophobicContact CG1-CD2 4.38Å; V15-L19 HydrophobicContact CG2-CD1 4.36Å; V15-L19 HydrophobicContact CG2-CD2 4.3Å; V15-L19 HydrophobicContact CG2-CG 4.08Å; V15-D162 PolarHBondContact N-OD2 3.44Å; V15-D162 VanDerWaalsContact N-OD2 3.16Å; V15-H174 VanDerWaalsContact CG2-CE1 3.48Å; V15-H174 WeakPolarHBondContact CG2-CE1 3.16Å; V15-K176 PolarHBondContact O-NZ 3.3Å
16S85.6Confident87.1Confident104 Ų10477.1 Ų77.173%0.72740%0.396SS*.SBendtrans-65.1-51.6177.648.90000110.8
17D89.5Confident87.7Confident113 Ų11374.6 Ų74.660%0.60438%0.377SS*.SBendtrans-108.9165.7-169.5-56.2-64.6000112.2V15V15-D17 WeakPolarHBondContact CG2-O 3.14Å
18Y92.3Very high88.3Confident56 Ų5675.9 Ų75.922%0.2239%0.386CS..  trans-70.6134.1173.7-68-83.6000111.1R72 H174 K176Y18-R72 HydrophobicContact CE1-CB 3.76Å; Y18-R72 PolarHBondContact OH-O 2.86Å; Y18-H174 WeakPolarHBondContact CA-ND1 3.34Å; Y18-H174 HydrophobicContact CD1-CB 4.35Å; Y18-H174 AromaticContact CD1-ND1 3.57Å; Y18-H174 WeakPolarHBondContact CD1-O 3.31Å; Y18-H174 VanDerWaalsContact CE1-O 3.29Å; Y18-H174 WeakPolarHBondContact CE1-O 3.4Å; Y18-K176 HydrophobicContact CD1-CD 4.25Å; Y18-K176 HydrophobicContact CD1-CG 4.42Å; Y18-K176 HydrophobicContact CE1-CB 4.32Å; Y18-K176 HydrophobicContact CE1-CD 3.76Å; Y18-K176 HydrophobicContact CE1-CG 3.81Å; Y18-K176 HydrophobicContact CE2-CD 4.34Å
19L92.6Very high88.9Confident58 Ų5876 Ų7630%0.30439%0.387SS..SBendtrans-86.9-3.1-177.1-61.1-169.7000114.5L3 I8 V15 F164 L171 H174L3-L19 HydrophobicContact CD1-CB 3.61Å; L3-L19 HydrophobicContact CD1-CD1 3.96Å; L3-L19 HydrophobicContact CD1-CG 4.25Å; I8-L19 HydrophobicContact CD1-CD1 3.61Å; V15-L19 HydrophobicContact CB-CD2 4.37Å; V15-L19 HydrophobicContact CG1-CD1 4.27Å; V15-L19 HydrophobicContact CG1-CD2 4.38Å; V15-L19 HydrophobicContact CG2-CD1 4.36Å; V15-L19 HydrophobicContact CG2-CD2 4.3Å; V15-L19 HydrophobicContact CG2-CG 4.08Å; L19-F164 HydrophobicContact CD1-CD1 4.34Å; L19-F164 HydrophobicContact CD1-CE1 3.59Å; L19-F164 HydrophobicContact CD1-CZ 4.33Å; L19-F164 HydrophobicContact CG-CE1 4.27Å; L19-L171 HydrophobicContact CB-CD2 3.67Å; L19-H174 PolarHBondContact N-ND1 3.3Å; L19-H174 VanDerWaalsContact N-ND1 3.13Å
20C92.2Very high89.5Confident11 Ų1174.4 Ų74.47%0.07438%0.383CS..SBendtrans-144.9159.5171.665.40000110.5D24 R72 L171 M173 H174C20-D24 HydrophobicContact CB-CB 4.2Å; C20-D24 WeakPolarHBondContact CB-OD2 3.34Å; C20-R72 PolarHBondContact O-NH1 3.1Å; C20-L171 HydrophobicContact CB-CD2 3.89Å; C20-L171 HydrophobicContact CB-CG 4.09Å; C20-M173 WeakPolarHBondContact SG-CA 3.41Å; C20-H174 PolarHBondContact SG-N 3.08Å; C20-H174 VanDerWaalsContact SG-N 3.44Å
21R91.8Very high90.1Very high181 Ų18168.5 Ų68.568%0.68336%0.357SS*.  trans-89.7156.1175.7-54.6-177.5175.6177.4-2.9110.1E23 D24R21-E23 WeakPolarHBondContact CB-OE2 3.22Å; R21-E23 PolarHBondContact O-N 3.42Å; R21-E23 VanDerWaalsContact O-N 3.17Å; R21-D24 PolarHBondContact N-OD2 3.34Å; R21-D24 WeakPolarHBondContact O-CB 3.32Å; R21-D24 PolarHBondContact O-N 3.28Å
22P90Very high90.9Very high60 Ų6068.5 Ų68.539%0.3936%0.357SS..G310 helixtrans-52.9-34.4173.7-26.135.8000113.3D24 N25P22-D24 PolarHBondContact O-N 3.36Å; P22-N25 WeakPolarHBondContact O-CB 3.47Å; P22-N25 PolarHBondContact O-N 2.89Å; P22-N25 VanDerWaalsContact O-N 3.15Å
23E92.4Very high91.9Very high121 Ų12163.4 Ų63.457%0.56533%0.333SS*.G310 helixtrans-69.8-16-178.9-56.572.9-14700113.4R21 N25 I26R21-E23 WeakPolarHBondContact CB-OE2 3.22Å; R21-E23 PolarHBondContact O-N 3.42Å; R21-E23 VanDerWaalsContact O-N 3.17Å; E23-N25 PolarHBondContact O-N 2.82Å; E23-I26 WeakPolarHBondContact O-CG2 3.22Å
24D93.6Very high92.4Very high68 Ų6861.4 Ų61.436%0.36432%0.318SS..G310 helixtrans-69.8-17174.2-65.5-45.5000111.6C20 R21 P22 I26 I172C20-D24 HydrophobicContact CB-CB 4.2Å; C20-D24 WeakPolarHBondContact CB-OD2 3.34Å; R21-D24 PolarHBondContact N-OD2 3.34Å; R21-D24 WeakPolarHBondContact O-CB 3.32Å; R21-D24 PolarHBondContact O-N 3.28Å; P22-D24 PolarHBondContact O-N 3.36Å; D24-I26 PolarHBondContact O-N 2.63Å; D24-I172 CarbonylContact C-O 3.52Å
25N95.2Very high93Very high36 Ų3661.7 Ų61.719%0.19332%0.315CS..  trans-77.459.7172.1-174.114.9000111.9P22 E23 Y27 S28 V29 I172P22-N25 WeakPolarHBondContact O-CB 3.47Å; P22-N25 PolarHBondContact O-N 2.89Å; P22-N25 VanDerWaalsContact O-N 3.15Å; E23-N25 PolarHBondContact O-N 2.82Å; N25-Y27 PolarHBondContact O-N 3.23Å; N25-S28 PolarHBondContact O-N 2.88Å; N25-S28 PolarHBondContact OD1-N 2.79Å; N25-V29 PolarHBondContact ND2-N 2.83Å; N25-V29 PolarHBondContact ND2-O 2.84Å; N25-V29 PolarHBondContact OD1-N 3.33Å; N25-I172 PolarHBondContact N-O 2.59Å
26I95.6Very high93.4Very high84 Ų8461.2 Ų61.243%0.43131%0.311SS..THydrogen-bonded Turntrans-66.2-7.7179.264.4171.1000113.9E23 D24E23-I26 WeakPolarHBondContact O-CG2 3.22Å; D24-I26 PolarHBondContact O-N 2.63Å
27Y96.5Very high93.9Very high32 Ų3258.9 Ų58.913%0.12529%0.287CS..THydrogen-bonded Turntrans-94.6-0.7180-60.8-84.9000112.6N25 V29 G97 R99 P100 I101 V167 I172N25-Y27 PolarHBondContact O-N 3.23Å; Y27-V29 PolarHBondContact O-N 3.38Å; Y27-G97 PolarHBondContact O-N 2.86Å; Y27-R99 HydrophobicContact CD1-CB 3.87Å; Y27-R99 HydrophobicContact CE1-CB 4.29Å; Y27-P100 WeakPolarHBondContact CE1-O 3.37Å; Y27-I101 HydrophobicContact CD1-CG1 3.65Å; Y27-I101 HydrophobicContact CE1-CG1 4.44Å; Y27-I101 HydrophobicContact CG-CD1 4.39Å; Y27-I101 HydrophobicContact CG-CG1 3.99Å; Y27-V167 HydrophobicContact CD1-CG1 4.45Å; Y27-V167 HydrophobicContact CD2-CB 4.19Å; Y27-V167 HydrophobicContact CD2-CG1 4.32Å; Y27-V167 HydrophobicContact CD2-CG2 4.02Å; Y27-V167 HydrophobicContact CE1-CG1 3.84Å; Y27-V167 HydrophobicContact CE2-CB 3.71Å; Y27-V167 HydrophobicContact CE2-CG1 3.71Å; Y27-V167 HydrophobicContact CE2-CG2 4.08Å; Y27-V167 HydrophobicContact CG-CG2 4.49Å; Y27-V167 VanDerWaalsContact CZ-CG1 3.42Å; Y27-I172 HydrophobicContact CD2-CD1 4.29Å; Y27-I172 HydrophobicContact CD2-CG2 4.02Å; Y27-I172 HydrophobicContact CE2-CG2 3.92Å
28S95.6Very high94.1Very high73 Ų7354 Ų5451%0.5126%0.26SS..  trans51.840.1-177.3-51.80000112.4N25 D30N25-S28 PolarHBondContact O-N 2.88Å; N25-S28 PolarHBondContact OD1-N 2.79Å; S28-D30 PolarHBondContact O-N 3.3Å
29V96.1Very high94.2Very high3 Ų354.3 Ų54.32%0.01827%0.265CS..  trans-68.3120.9173.6178.30000108N25 Y27 F31 F94 T95 V96 I101 F104 I172 M173N25-V29 PolarHBondContact ND2-N 2.83Å; N25-V29 PolarHBondContact ND2-O 2.84Å; N25-V29 PolarHBondContact OD1-N 3.33Å; Y27-V29 PolarHBondContact O-N 3.38Å; V29-F31 HydrophobicContact CG1-CZ 4.46Å; V29-F94 HydrophobicContact CG1-CD2 4.41Å; V29-T95 WeakPolarHBondContact CA-O 3.16Å; V29-V96 HydrophobicContact CG2-CG1 4.38Å; V29-I101 HydrophobicContact CG2-CD1 3.56Å; V29-F104 HydrophobicContact CG1-CE1 4.29Å; V29-F104 HydrophobicContact CG1-CZ 3.87Å; V29-F104 HydrophobicContact CG2-CZ 4.36Å; V29-I172 HydrophobicContact CG2-CD1 3.99Å; V29-M173 HydrophobicContact CB-CE 4.43Å; V29-M173 HydrophobicContact CG1-CE 3.95Å
30D94.6Very high94.2Very high59 Ų5957 Ų5732%0.31628%0.276SS..EExtended strand (participates in β ladder)trans-131.7117.4177.4-171.831.5000112S28 T32 K50 F94 T95S28-D30 PolarHBondContact O-N 3.3Å; D30-T32 PolarHBondContact O-N 3.23Å; D30-K50 IonicContact OD1-NZ 2.78Å; D30-K50 PolarHBondContact OD1-NZ 3.33Å; D30-K50 IonicContact OD2-NZ 3.68Å; D30-K50 PolarHBondContact OD2-NZ 3.27Å; D30-F94 CarbonylContact O-C 3.58Å; D30-F94 WeakPolarHBondContact O-CA 3.4Å; D30-F94 VanDerWaalsContact O-CB 3.25Å; D30-F94 WeakPolarHBondContact O-CB 3.27Å; D30-T95 PolarHBondContact N-O 2.79Å; D30-T95 PolarHBondContact O-N 2.89Å
31F94.3Very high94.3Very high33 Ų3360.9 Ų60.915%0.14530%0.3CS..EExtended strand (participates in β ladder)trans-77.3118.6176.3-68.2-63.8000110.3V29 K50 V92 F94 F104 F124 Y165 M173V29-F31 HydrophobicContact CG1-CZ 4.46Å; F31-K50 WeakPolarHBondContact O-CD 3.45Å; F31-K50 WeakPolarHBondContact O-CE 3.35Å; F31-K50 PolarHBondContact O-NZ 3.27Å; F31-V92 HydrophobicContact CD1-CG1 3.3Å; F31-V92 HydrophobicContact CE1-CG1 3.57Å; F31-V92 HydrophobicContact CG-CG1 4.34Å; F31-F94 HydrophobicContact CD1-CB 3.63Å; F31-F94 HydrophobicContact CD1-CD1 4.38Å; F31-F94 HydrophobicContact CD1-CG 4.24Å; F31-F94 HydrophobicContact CE1-CB 3.98Å; F31-F94 HydrophobicContact CE1-CD1 4.13Å; F31-F94 HydrophobicContact CE1-CG 4.12Å; F31-F94 HydrophobicContact CG-CB 4.45Å; F31-F104 HydrophobicContact CZ-CZ 4.4Å; F31-F124 HydrophobicContact CE1-CE1 4.17Å; F31-F124 HydrophobicContact CE1-CZ 4.23Å; F31-F124 HydrophobicContact CZ-CE1 4.49Å; F31-F124 HydrophobicContact CZ-CZ 4.1Å; F31-Y165 HydrophobicContact CE2-CD1 4.07Å; F31-Y165 AromaticContact CE2-CE1 3.48Å; F31-Y165 HydrophobicContact CE2-CE1 3.48Å; F31-Y165 VanDerWaalsContact CE2-CE1 3.48Å; F31-Y165 HydrophobicContact CE2-CE2 4.15Å; F31-Y165 AromaticContact CE2-CZ 3.51Å; F31-Y165 AromaticContact CZ-CD1 3.86Å; F31-Y165 HydrophobicContact CZ-CD1 3.86Å; F31-Y165 AromaticContact CZ-CE1 3.32Å; F31-Y165 HydrophobicContact CZ-CE1 3.32Å; F31-Y165 AromaticContact CZ-CZ 3.86Å; F31-M173 HydrophobicContact CD2-CE 3.89Å; F31-M173 HydrophobicContact CD2-SD 4.35Å; F31-M173 HydrophobicContact CE2-CE 3.22Å; F31-M173 HydrophobicContact CE2-SD 4.17Å; F31-M173 HydrophobicContact CZ-CE 4Å
32T92.7Very high94.4Very high29 Ų2954.5 Ų54.518%0.17829%0.29CS..EExtended strand (participates in β ladder)trans-107.9-25.1-173.557.30000113.1D30 A49 K50 E93 T95D30-T32 PolarHBondContact O-N 3.23Å; T32-A49 CarbonylContact O-C 3.57Å; T32-A49 WeakPolarHBondContact O-CA 3.46Å; T32-K50 PolarHBondContact O-N 3.13Å; T32-E93 PolarHBondContact N-O 2.71Å; T32-E93 PolarHBondContact OG1-O 3.49Å; T32-T95 HydrophobicContact CG2-CG2 4.34Å
33R94.2Very high94.6Very high69 Ų6955.3 Ų55.326%0.2629%0.294SS..EExtended strand (participates in β ladder)trans-148.5143.2174.1-172.7170.8171.5-128.510.1111.1E47 I48 A49 V92 E93R33-E47 IonicContact CZ-OE1 2.76Å; R33-E47 IonicContact NE-OE1 2.57Å; R33-E47 PolarHBondContact NE-OE1 2.95Å; R33-E47 IonicContact NH2-OE1 2.78Å; R33-E47 PolarHBondContact NH2-OE1 3.02Å; R33-E47 IonicContact NH2-OE2 2.77Å; R33-I48 CarbonylContact C-O 3.5Å; R33-I48 WeakPolarHBondContact CA-O 3.36Å; R33-I48 WeakPolarHBondContact CG-O 3.26Å; R33-A49 HydrophobicContact CB-CB 4.35Å; R33-A49 HydrophobicContact CG-CB 4.09Å; R33-V92 WeakPolarHBondContact O-CA 3.34Å; R33-E93 HydrophobicContact CB-CB 3.99Å; R33-E93 HydrophobicContact CB-CG 4.2Å; R33-E93 WeakPolarHBondContact CD-OE1 3.4Å; R33-E93 IonicContact CZ-OE1 2.99Å; R33-E93 PolarHBondContact N-O 2.56Å; R33-E93 IonicContact NE-OE1 2.81Å; R33-E93 IonicContact NH1-OE1 2.8Å; R33-E93 PolarHBondContact NH1-OE1 2.66Å; R33-E93 PolarHBondContact O-N 3.14Å
34F94.4Very high94.7Very high38 Ų3853.2 Ų53.217%0.16729%0.289CS..EExtended strand (participates in β ladder)trans-138.5127.9175.6-179.7-108.5000109.4I36 F46 E47 I48 Y76 A90 T91 V92F34-I36 HydrophobicContact CD1-CG1 4.4Å; F34-I36 HydrophobicContact CE1-CD1 3.5Å; F34-I36 VanDerWaalsContact CE1-CD1 3.5Å; F34-I36 HydrophobicContact CE1-CG1 3.5Å; F34-I36 HydrophobicContact CZ-CD1 3.72Å; F34-I36 HydrophobicContact CZ-CG1 3.57Å; F34-F46 AromaticContact CD1-CD1 3.88Å; F34-F46 HydrophobicContact CD1-CD1 3.88Å; F34-F46 AromaticContact CD1-CE1 3.91Å; F34-F46 HydrophobicContact CD1-CE1 3.91Å; F34-F46 HydrophobicContact CE1-CD1 4.18Å; F34-F46 HydrophobicContact CE1-CE1 4.46Å; F34-E47 CarbonylContact O-C 3.58Å; F34-E47 WeakPolarHBondContact O-CA 3.41Å; F34-I48 HydrophobicContact CB-CG2 3.96Å; F34-I48 PolarHBondContact N-O 3.26Å; F34-I48 PolarHBondContact O-N 3.06Å; F34-Y76 HydrophobicContact CE1-CE1 4.23Å; F34-Y76 WeakPolarHBondContact CE1-OH 3.3Å; F34-A90 HydrophobicContact CE2-CB 3.89Å; F34-A90 HydrophobicContact CZ-CB 4.18Å; F34-T91 WeakPolarHBondContact CA-O 3.34Å; F34-V92 HydrophobicContact CD2-CG1 4.45Å; F34-V92 HydrophobicContact CD2-CG2 3.83Å; F34-V92 HydrophobicContact CE2-CG2 4.05Å
35K95.8Very high94.7Very high43 Ų4352.6 Ų52.619%0.18729%0.286CS..EExtended strand (participates in β ladder)trans-135.9129.3-178.8-177.5-174.268.1173.40109.9V44 F46 E47 A90 T91K35-V44 HydrophobicContact CD-CG1 4.4Å; K35-V44 HydrophobicContact CD-CG2 4.31Å; K35-V44 HydrophobicContact CG-CG1 4.01Å; K35-F46 CarbonylContact C-O 3.56Å; K35-F46 WeakPolarHBondContact CA-O 3.33Å; K35-E47 HydrophobicContact CB-CB 4.5Å; K35-E47 HydrophobicContact CB-CG 4.1Å; K35-E47 HydrophobicContact CG-CB 4.27Å; K35-E47 HydrophobicContact CG-CG 4.18Å; K35-A90 CarbonylContact O-C 3.57Å; K35-A90 VanDerWaalsContact O-CA 3.3Å; K35-A90 WeakPolarHBondContact O-CA 3.34Å; K35-T91 PolarHBondContact N-O 2.8Å; K35-T91 PolarHBondContact O-N 3.43Å
36I95.8Very high94.6Very high15 Ų1553 Ų538%0.07729%0.286CS..EExtended strand (participates in β ladder)trans-108.9129.8171.9-57.1172.5000108.6F34 L45 F46 F78 V88 G89 A90F34-I36 HydrophobicContact CD1-CG1 4.4Å; F34-I36 HydrophobicContact CE1-CD1 3.5Å; F34-I36 VanDerWaalsContact CE1-CD1 3.5Å; F34-I36 HydrophobicContact CE1-CG1 3.5Å; F34-I36 HydrophobicContact CZ-CD1 3.72Å; F34-I36 HydrophobicContact CZ-CG1 3.57Å; I36-L45 HydrophobicContact CG2-CB 4.33Å; I36-L45 HydrophobicContact CG2-CD1 4.11Å; I36-L45 PolarHBondContact O-N 3.05Å; I36-F46 HydrophobicContact CB-CB 4.31Å; I36-F46 HydrophobicContact CD1-CB 4.37Å; I36-F46 PolarHBondContact N-O 3.18Å; I36-F46 PolarHBondContact O-N 3.26Å; I36-F78 HydrophobicContact CD1-CZ 4.14Å; I36-V88 HydrophobicContact CG2-CB 3.94Å; I36-V88 HydrophobicContact CG2-CG1 4.45Å; I36-V88 HydrophobicContact CG2-CG2 4.05Å; I36-G89 WeakPolarHBondContact CA-O 3.31Å; I36-A90 HydrophobicContact CG1-CB 4.44Å
37R96.6Very high94.5Very high55 Ų5553.4 Ų53.421%0.20829%0.286CS..EExtended strand (participates in β ladder)trans-124.1147.6168.771.6174.4-178.5-80.1-0.3111.8L39 T43 V88 G89 T91 E136R37-L39 HydrophobicContact CG-CD2 4.28Å; R37-T43 CarbonylContact C-O 3.54Å; R37-T43 WeakPolarHBondContact CA-O 3.36Å; R37-T43 WeakPolarHBondContact CB-O 3.5Å; R37-V88 CarbonylContact O-C 3.54Å; R37-V88 VanDerWaalsContact O-CA 3.27Å; R37-V88 WeakPolarHBondContact O-CA 3.47Å; R37-V88 WeakPolarHBondContact O-CB 3.29Å; R37-G89 PolarHBondContact N-O 3.21Å; R37-G89 PolarHBondContact O-N 2.86Å; R37-T91 PolarHBondContact NH1-OG1 2.9Å; R37-E136 IonicContact CZ-OE1 2.95Å; R37-E136 IonicContact CZ-OE2 3.18Å; R37-E136 IonicContact NH1-OE1 3.74Å; R37-E136 PolarHBondContact NH1-OE1 3.44Å; R37-E136 IonicContact NH1-OE2 3.93Å; R37-E136 IonicContact NH2-OE1 2.83Å; R37-E136 PolarHBondContact NH2-OE1 3.24Å; R37-E136 IonicContact NH2-OE2 3.53Å; R37-E136 PolarHBondContact NH2-OE2 3.01Å
38D95.2Very high94.2Very high9 Ų956.2 Ų56.25%0.04830%0.303CS..EExtended strand (participates in β ladder)trans-67.9127.1161.7174.716.8000109.1E40 T41 G42 T43 L45 L85D38-E40 VanDerWaalsContact C-N 3.33Å; D38-E40 PolarHBondContact OD1-N 3.26Å; D38-T41 VanDerWaalsContact OD2-CB 3.32Å; D38-T41 WeakPolarHBondContact OD2-CB 3.33Å; D38-T41 VanDerWaalsContact OD2-CG2 3.22Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.43Å; D38-T41 PolarHBondContact OD2-N 2.86Å; D38-T41 PolarHBondContact OD2-OG1 2.85Å; D38-G42 WeakPolarHBondContact O-CA 3.31Å; D38-G42 PolarHBondContact O-N 3.22Å; D38-T43 PolarHBondContact N-O 3.25Å; D38-L45 HydrophobicContact CB-CD1 4.14Å; D38-L45 HydrophobicContact CB-CG 4.42Å; D38-L85 HydrophobicContact CB-CD2 4.37Å
39L93.2Very high93.9Very high63 Ų6355.6 Ų55.633%0.3330%0.301SS..THydrogen-bonded Turntrans-78.7-19-179.9-69.2175.9000113R37 T87 I138R37-L39 HydrophobicContact CG-CD2 4.28Å; L39-T87 PolarHBondContact N-O 3.37Å; L39-I138 HydrophobicContact CD1-CD1 3.75Å; L39-I138 HydrophobicContact CD1-CG2 3.77Å
40E92.8Very high93.4Very high114 Ų11460 Ų6053%0.53332%0.32SS..THydrogen-bonded Turntrans-81.6-43.6179.5-62.7-172.117100111.2D38 R86D38-E40 VanDerWaalsContact C-N 3.33Å; D38-E40 PolarHBondContact OD1-N 3.26Å; E40-R86 IonicContact OE1-CZ 3.9Å; E40-R86 VanDerWaalsContact OE1-CZ 3.28Å; E40-R86 IonicContact OE1-NE 3.95Å; E40-R86 PolarHBondContact OE1-NE 2.94Å; E40-R86 IonicContact OE1-NH2 3.18Å; E40-R86 PolarHBondContact OE1-NH2 3.18Å
41T94.4Very high92.6Very high94 Ų9461.3 Ų61.358%0.57733%0.332SS*.THydrogen-bonded Turntrans-100.1-17.2-178.965.50000114.4D38 T43D38-T41 VanDerWaalsContact OD2-CB 3.32Å; D38-T41 WeakPolarHBondContact OD2-CB 3.33Å; D38-T41 VanDerWaalsContact OD2-CG2 3.22Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.43Å; D38-T41 PolarHBondContact OD2-N 2.86Å; D38-T41 PolarHBondContact OD2-OG1 2.85Å; T41-T43 PolarHBondContact O-N 2.88Å; T41-T43 WeakPolarHBondContact OG1-CB 3.19Å; T41-T43 PolarHBondContact OG1-N 3.48Å; T41-T43 PolarHBondContact OG1-OG1 3.27Å
42G93.2Very high91Very high46 Ų4666 Ų6647%0.47437%0.366SS..  trans76-0.1-17100000114.3D38 V44D38-G42 WeakPolarHBondContact O-CA 3.31Å; D38-G42 PolarHBondContact O-N 3.22Å; G42-V44 PolarHBondContact O-N 3.04Å
43T94.1Very high89Confident78 Ų7871.8 Ų71.848%0.47940%0.396SS..  trans-62.4129.4-178.8-55.80000110.9R37 D38 T41 L45R37-T43 CarbonylContact C-O 3.54Å; R37-T43 WeakPolarHBondContact CA-O 3.36Å; R37-T43 WeakPolarHBondContact CB-O 3.5Å; D38-T43 PolarHBondContact N-O 3.25Å; T41-T43 PolarHBondContact O-N 2.88Å; T41-T43 WeakPolarHBondContact OG1-CB 3.19Å; T41-T43 PolarHBondContact OG1-N 3.48Å; T41-T43 PolarHBondContact OG1-OG1 3.27Å; T43-L45 HydrophobicContact CG2-CD2 4.43Å; T43-L45 PolarHBondContact O-N 3.46Å
44V94.8Very high87.1Confident76 Ų7671.5 Ų71.546%0.46140%0.404SS..EExtended strand (participates in β ladder)trans-76.5116.9171.6179.90000108.5K35 G42 E47K35-V44 HydrophobicContact CD-CG1 4.4Å; K35-V44 HydrophobicContact CD-CG2 4.31Å; K35-V44 HydrophobicContact CG-CG1 4.01Å; G42-V44 PolarHBondContact O-N 3.04Å; V44-E47 HydrophobicContact CG1-CB 4.21Å
45L93.3Very high84.7Confident56 Ų5672.2 Ų72.229%0.29342%0.423SS..EExtended strand (participates in β ladder)trans-91.1-30-176.7-59.3171.1000111.8I36 D38 T43 F82 L85 V88I36-L45 HydrophobicContact CG2-CB 4.33Å; I36-L45 HydrophobicContact CG2-CD1 4.11Å; I36-L45 PolarHBondContact O-N 3.05Å; D38-L45 HydrophobicContact CB-CD1 4.14Å; D38-L45 HydrophobicContact CB-CG 4.42Å; T43-L45 HydrophobicContact CG2-CD2 4.43Å; T43-L45 PolarHBondContact O-N 3.46Å; L45-F82 HydrophobicContact CB-CE2 4.42Å; L45-F82 HydrophobicContact CD1-CD2 4.01Å; L45-F82 HydrophobicContact CD1-CE2 3.88Å; L45-L85 HydrophobicContact CD1-CD1 3.3Å; L45-L85 HydrophobicContact CD2-CD1 4.39Å; L45-L85 HydrophobicContact CG-CD1 4.49Å; L45-V88 HydrophobicContact CD1-CG1 3.92Å
46F93Very high82.2Confident45 Ų4579 Ų7920%0.19746%0.455CS..EExtended strand (participates in β ladder)trans-158.4143.8179-178-96.1000110.2F34 K35 I36 I48 Y76 F78F34-F46 AromaticContact CD1-CD1 3.88Å; F34-F46 HydrophobicContact CD1-CD1 3.88Å; F34-F46 AromaticContact CD1-CE1 3.91Å; F34-F46 HydrophobicContact CD1-CE1 3.91Å; F34-F46 HydrophobicContact CE1-CD1 4.18Å; F34-F46 HydrophobicContact CE1-CE1 4.46Å; K35-F46 CarbonylContact C-O 3.56Å; K35-F46 WeakPolarHBondContact CA-O 3.33Å; I36-F46 HydrophobicContact CB-CB 4.31Å; I36-F46 HydrophobicContact CD1-CB 4.37Å; I36-F46 PolarHBondContact N-O 3.18Å; I36-F46 PolarHBondContact O-N 3.26Å; F46-I48 HydrophobicContact CE1-CB 3.84Å; F46-I48 HydrophobicContact CE1-CG2 3.57Å; F46-I48 HydrophobicContact CZ-CB 3.97Å; F46-I48 HydrophobicContact CZ-CG2 4.06Å; F46-Y76 HydrophobicContact CD1-CD1 4.39Å; F46-Y76 AromaticContact CD1-CE1 3.83Å; F46-Y76 HydrophobicContact CD1-CE1 3.83Å; F46-Y76 HydrophobicContact CD2-CD1 4.08Å; F46-Y76 HydrophobicContact CD2-CE1 4.31Å; F46-Y76 HydrophobicContact CE1-CD1 4.24Å; F46-Y76 AromaticContact CE1-CE1 3.55Å; F46-Y76 HydrophobicContact CE1-CE1 3.55Å; F46-Y76 AromaticContact CE2-CD1 3.92Å; F46-Y76 HydrophobicContact CE2-CD1 3.92Å; F46-Y76 HydrophobicContact CE2-CE1 4.06Å; F46-Y76 HydrophobicContact CG-CD1 4.31Å; F46-Y76 HydrophobicContact CG-CE1 4.2Å; F46-Y76 AromaticContact CZ-CD1 4Å; F46-Y76 HydrophobicContact CZ-CD1 4Å; F46-Y76 AromaticContact CZ-CE1 3.67Å; F46-Y76 HydrophobicContact CZ-CE1 3.67Å; F46-F78 HydrophobicContact CB-CE1 3.91Å; F46-F78 HydrophobicContact CB-CZ 4.27Å
47E93.2Very high79.4Confident92 Ų9284.4 Ų84.443%0.4349%0.488SS..EExtended strand (participates in β ladder)trans-149.8134.9170.3-171.4172.3161.100110.7R33 F34 K35 V44R33-E47 IonicContact CZ-OE1 2.76Å; R33-E47 IonicContact NE-OE1 2.57Å; R33-E47 PolarHBondContact NE-OE1 2.95Å; R33-E47 IonicContact NH2-OE1 2.78Å; R33-E47 PolarHBondContact NH2-OE1 3.02Å; R33-E47 IonicContact NH2-OE2 2.77Å; F34-E47 CarbonylContact O-C 3.58Å; F34-E47 WeakPolarHBondContact O-CA 3.41Å; K35-E47 HydrophobicContact CB-CB 4.5Å; K35-E47 HydrophobicContact CB-CG 4.1Å; K35-E47 HydrophobicContact CG-CB 4.27Å; K35-E47 HydrophobicContact CG-CG 4.18Å; V44-E47 HydrophobicContact CG1-CB 4.21Å
48I90.4Very high76.5Confident91 Ų9189.4 Ų89.447%0.46751%0.514SS..EExtended strand (participates in β ladder)trans-138.5140.5171.3-167.6169.5000109.5R33 F34 F46R33-I48 CarbonylContact C-O 3.5Å; R33-I48 WeakPolarHBondContact CA-O 3.36Å; R33-I48 WeakPolarHBondContact CG-O 3.26Å; F34-I48 HydrophobicContact CB-CG2 3.96Å; F34-I48 PolarHBondContact N-O 3.26Å; F34-I48 PolarHBondContact O-N 3.06Å; F46-I48 HydrophobicContact CE1-CB 3.84Å; F46-I48 HydrophobicContact CE1-CG2 3.57Å; F46-I48 HydrophobicContact CZ-CB 3.97Å; F46-I48 HydrophobicContact CZ-CG2 4.06Å
49A90.3Very high73.8Confident59 Ų5997.8 Ų97.849%0.48855%0.55SS..EExtended strand (participates in β ladder)trans-131.6140172.500000109.3T32 R33T32-A49 CarbonylContact O-C 3.57Å; T32-A49 WeakPolarHBondContact O-CA 3.46Å; R33-A49 HydrophobicContact CB-CB 4.35Å; R33-A49 HydrophobicContact CG-CB 4.09Å
50K85.3Confident70.9Confident95 Ų95101.6 Ų101.641%0.41357%0.57SS.*  trans-65.7140.1169.9-71.5-169.4173.7-178.90109.3D30 F31 T32D30-K50 IonicContact OD1-NZ 2.78Å; D30-K50 PolarHBondContact OD1-NZ 3.33Å; D30-K50 IonicContact OD2-NZ 3.68Å; D30-K50 PolarHBondContact OD2-NZ 3.27Å; F31-K50 WeakPolarHBondContact O-CD 3.45Å; F31-K50 WeakPolarHBondContact O-CE 3.35Å; F31-K50 PolarHBondContact O-NZ 3.27Å; T32-K50 PolarHBondContact O-N 3.13Å
51P78.2Confident68.6Low88 Ų88105.1 Ų105.157%0.57159%0.587SS**  trans-58.6146.3173.9-19.630.6000110.8N53 S54P51-N53 PolarHBondContact O-N 2.98Å; P51-S54 PolarHBondContact O-N 3.2Å; P51-S54 PolarHBondContact O-OG 2.83Å; P51-S54 VanDerWaalsContact O-OG 3.1Å
52P60.7Low66.2Low130 Ų130109.5 Ų109.584%0.84460%0.601SS**THydrogen-bonded Turntrans-61.5-17-177.622.3-32.2000114.6
53N50Low63.5Low151 Ų151112 Ų11281%0.80761%0.611SS**THydrogen-bonded Turntrans-104.313.6-177.2-7513.4000114.6P51 G55P51-N53 PolarHBondContact O-N 2.98Å; N53-G55 VanDerWaalsContact C-N 3.25Å; N53-G55 PolarHBondContact O-N 2.76Å
54S54.2Low60.9Low63 Ų63112.1 Ų112.144%0.44163%0.628SS.*  trans-82.61176.459.30000114.2P51P51-S54 PolarHBondContact O-N 3.2Å; P51-S54 PolarHBondContact O-OG 2.83Å; P51-S54 VanDerWaalsContact O-OG 3.1Å
55G44.7Very low58.2Low54 Ų54116.4 Ų116.456%0.55765%0.648SS**SBendtrans-82.9120173.700000110.5N53N53-G55 VanDerWaalsContact C-N 3.25Å; N53-G55 PolarHBondContact O-N 2.76Å
56H43Very low55.7Low186 Ų186117.4 Ų117.486%0.86166%0.664SS**  trans73.167.2179.1-54.5-89.4000115.6E58H56-E58 PolarHBondContact O-N 2.94Å
57V36.2Very low53.3Low127 Ų127119.8 Ų119.877%0.7768%0.679SS**  trans-78.7103.6143.8-169.10000104.9K59V57-K59 PolarHBondContact O-N 2.62Å
58E36Very low51.3Low160 Ų160119.5 Ų119.575%0.74869%0.687SS**  trans-48.3130.7161.9-65.3-174.3163.400106.8H56 D60H56-E58 PolarHBondContact O-N 2.94Å; E58-D60 PolarHBondContact O-N 3.4Å
59K38.9Very low49.6Very low185 Ų185116.3 Ų116.380%0.80467%0.673SS**  trans-62.192.5176.4-75.7180173.9-177.50107.6V57 E61V57-K59 PolarHBondContact O-N 2.62Å; K59-E61 PolarHBondContact O-N 3.27Å; K59-E61 VanDerWaalsContact O-N 3.14Å
60D32Very low48.2Very low143 Ų143119.2 Ų119.277%0.76569%0.685SS**  trans-65.2110.7161.6-81.8-26.8000106.6E58 E62E58-D60 PolarHBondContact O-N 3.4Å; D60-E62 PolarHBondContact O-N 2.93Å
61E44.9Very low47.7Very low189 Ų189117.9 Ų117.988%0.88370%0.698SS**SBendtrans-71.231.2-175.9-66.6-166.4147.900113.9K59K59-E61 PolarHBondContact O-N 3.27Å; K59-E61 VanDerWaalsContact O-N 3.14Å
62E43.7Very low48.2Very low186 Ų186115 Ų11587%0.86968%0.676SS**  trans-140.372.6-178-77-169.415800113.5D60D60-E62 PolarHBondContact O-N 2.93Å
63S36.8Very low49.7Very low99 Ų99113.1 Ų113.169%0.69265%0.654SS**  trans-164.9119.2141.856.20000110
64G39.6Very low51.7Low80 Ų80108.2 Ų108.283%0.82563%0.63SS**THydrogen-bonded Turntrans-57.7144.1177.900000113A66G64-A66 PolarHBondContact O-N 2.88Å
65D37.8Very low53.5Low166 Ų166111.7 Ų111.789%0.88863%0.633SS**THydrogen-bonded Turntrans62.539.1166.9-147.430000116.5D67D65-D67 PolarHBondContact O-N 2.78Å; D65-D67 VanDerWaalsContact O-N 3.16Å
66A40.2Very low55.9Low76 Ų76110.3 Ų110.363%0.62861%0.611SS**  trans-71105.4162.900000109.2G64 S68G64-A66 PolarHBondContact O-N 2.88Å; A66-S68 PolarHBondContact O-N 2.89Å; A66-S68 VanDerWaalsContact O-N 3.08Å
67D43.9Very low58.3Low95 Ų95107 Ų10751%0.50860%0.596SS.*  trans-42.5113.7-178-177.96.6000111.9D65 S69 V70D65-D67 PolarHBondContact O-N 2.78Å; D65-D67 VanDerWaalsContact O-N 3.16Å; D67-S69 PolarHBondContact O-N 2.72Å; D67-S69 WeakPolarHBondContact OD1-CB 3.36Å; D67-S69 PolarHBondContact OD1-N 2.86Å; D67-S69 VanDerWaalsContact OD1-N 3.12Å; D67-S69 PolarHBondContact OD1-OG 3.01Å; D67-S69 WeakPolarHBondContact OD2-CB 3.27Å; D67-S69 PolarHBondContact OD2-OG 2.57Å; D67-V70 WeakPolarHBondContact O-CG2 3.3Å; D67-V70 PolarHBondContact O-N 2.97Å
68S50.7Low61.2Low87 Ų87101.5 Ų101.561%0.60856%0.562SS**THydrogen-bonded Turntrans-53.9-8.2178.166.50000114.2A66 R72A66-S68 PolarHBondContact O-N 2.89Å; A66-S68 VanDerWaalsContact O-N 3.08Å; S68-R72 PolarHBondContact O-NE 3.25Å; S68-R72 PolarHBondContact O-NH2 3.27Å
69S53.8Low63.9Low24 Ų2497.5 Ų97.517%0.16855%0.549CS..THydrogen-bonded Turntrans-80.9-9.1176.189.70000115.6D67 G71 R72D67-S69 PolarHBondContact O-N 2.72Å; D67-S69 WeakPolarHBondContact OD1-CB 3.36Å; D67-S69 PolarHBondContact OD1-N 2.86Å; D67-S69 VanDerWaalsContact OD1-N 3.12Å; D67-S69 PolarHBondContact OD1-OG 3.01Å; D67-S69 WeakPolarHBondContact OD2-CB 3.27Å; D67-S69 PolarHBondContact OD2-OG 2.57Å; S69-G71 PolarHBondContact O-N 2.89Å; S69-G71 VanDerWaalsContact O-N 3.08Å; S69-R72 PolarHBondContact O-N 2.87Å
70V61.7Low66.6Low120 Ų12091.3 Ų91.373%0.72753%0.527SS*.THydrogen-bonded Turntrans-51.2118.4-175.4-178.40000111.2D67D67-V70 WeakPolarHBondContact O-CG2 3.3Å; D67-V70 PolarHBondContact O-N 2.97Å
71G75.5Confident69.5Low67 Ų6787.4 Ų87.469%0.69152%0.515SS*.THydrogen-bonded Turntrans85.9-2.1177.900000116.4S69S69-G71 PolarHBondContact O-N 2.89Å; S69-G71 VanDerWaalsContact O-N 3.08Å
72R87.5Confident71.9Confident28 Ų2879.3 Ų79.311%0.10648%0.477CS..SBendtrans-101.2-0.8177.4-63.6-170.3-74.2165.80.3114.1Y18 C20 S68 S69 N175 K176Y18-R72 HydrophobicContact CE1-CB 3.76Å; Y18-R72 PolarHBondContact OH-O 2.86Å; C20-R72 PolarHBondContact O-NH1 3.1Å; S68-R72 PolarHBondContact O-NE 3.25Å; S68-R72 PolarHBondContact O-NH2 3.27Å; S69-R72 PolarHBondContact O-N 2.87Å; R72-N175 CarbonylContact O-C 3.56Å; R72-N175 WeakPolarHBondContact O-CA 3.46Å; R72-K176 PolarHBondContact O-N 3.05Å
73F92.2Very high74.4Confident89 Ų8971 Ų7139%0.3944%0.439SS..EExtended strand (participates in β ladder)trans-120.4132.6176.7-172.8-94.8000111.3R75 K176 D178F73-R75 HydrophobicContact CE1-CB 4.22Å; F73-K176 VanDerWaalsContact CA-O 3.28Å; F73-K176 WeakPolarHBondContact CA-O 3.46Å; F73-K176 HydrophobicContact CD2-CB 3.75Å; F73-K176 HydrophobicContact CE2-CB 4.31Å; F73-D178 HydrophobicContact CZ-CB 4.06Å; F73-D178 VanDerWaalsContact CZ-CG 3.46Å; F73-D178 WeakPolarHBondContact CZ-OD2 3.31Å
74V91.3Very high77.1Confident49 Ų4973.9 Ų73.930%0.29744%0.438SS..EExtended strand (participates in β ladder)trans-125.9131.5175.2-176.20000110.3Y76 K176 A177 D178V74-Y76 HydrophobicContact CB-CE2 3.91Å; V74-Y76 HydrophobicContact CG1-CD1 4.3Å; V74-Y76 HydrophobicContact CG1-CD2 4.07Å; V74-Y76 HydrophobicContact CG1-CE1 3.87Å; V74-Y76 HydrophobicContact CG1-CE2 3.62Å; V74-Y76 HydrophobicContact CG1-CG 4.4Å; V74-K176 PolarHBondContact N-O 3.03Å; V74-A177 HydrophobicContact CB-CB 4.47Å; V74-A177 WeakPolarHBondContact O-CA 3.41Å; V74-A177 WeakPolarHBondContact O-CB 3.26Å; V74-D178 PolarHBondContact O-N 2.8Å; V74-D178 VanDerWaalsContact O-N 3.16Å
75R92.9Very high79.6Confident136 Ų13671.4 Ų71.451%0.51341%0.406SS..EExtended strand (participates in β ladder)trans-102.5114.9173.1174.8160-72.8171.32.4110F73 Y157 D178F73-R75 HydrophobicContact CE1-CB 4.22Å; R75-Y157 VanDerWaalsContact CD-CE1 3.4Å; R75-Y157 HydrophobicContact CG-CD1 4.04Å; R75-Y157 HydrophobicContact CG-CE1 3.4Å; R75-Y157 VanDerWaalsContact CG-CE1 3.4Å; R75-D178 WeakPolarHBondContact CA-OD1 3.49Å; R75-D178 VanDerWaalsContact CB-OD1 3.31Å; R75-D178 WeakPolarHBondContact CB-OD1 3.36Å; R75-D178 WeakPolarHBondContact CG-OD1 3.5Å; R75-D178 IonicContact CZ-OD1 3.49Å; R75-D178 IonicContact CZ-OD2 3.78Å; R75-D178 IonicContact NE-OD1 2.79Å; R75-D178 PolarHBondContact NE-OD1 2.98Å; R75-D178 IonicContact NE-OD2 3.6Å; R75-D178 PolarHBondContact NE-OD2 3.45Å; R75-D178 IonicContact NH2-OD1 2.56Å; R75-D178 IonicContact NH2-OD2 3.76Å; R75-D178 PolarHBondContact NH2-OD2 3.2Å
76Y94.4Very high82.2Confident24 Ų2470 Ų709%0.09439%0.388CS..EExtended strand (participates in β ladder)trans-94.9138.8179.2-67.2-80.1000111.6F34 F46 V74 F78 A177 D178 Y179 A180F34-Y76 HydrophobicContact CE1-CE1 4.23Å; F34-Y76 WeakPolarHBondContact CE1-OH 3.3Å; F46-Y76 HydrophobicContact CD1-CD1 4.39Å; F46-Y76 AromaticContact CD1-CE1 3.83Å; F46-Y76 HydrophobicContact CD1-CE1 3.83Å; F46-Y76 HydrophobicContact CD2-CD1 4.08Å; F46-Y76 HydrophobicContact CD2-CE1 4.31Å; F46-Y76 HydrophobicContact CE1-CD1 4.24Å; F46-Y76 AromaticContact CE1-CE1 3.55Å; F46-Y76 HydrophobicContact CE1-CE1 3.55Å; F46-Y76 AromaticContact CE2-CD1 3.92Å; F46-Y76 HydrophobicContact CE2-CD1 3.92Å; F46-Y76 HydrophobicContact CE2-CE1 4.06Å; F46-Y76 HydrophobicContact CG-CD1 4.31Å; F46-Y76 HydrophobicContact CG-CE1 4.2Å; F46-Y76 AromaticContact CZ-CD1 4Å; F46-Y76 HydrophobicContact CZ-CD1 4Å; F46-Y76 AromaticContact CZ-CE1 3.67Å; F46-Y76 HydrophobicContact CZ-CE1 3.67Å; V74-Y76 HydrophobicContact CB-CE2 3.91Å; V74-Y76 HydrophobicContact CG1-CD1 4.3Å; V74-Y76 HydrophobicContact CG1-CD2 4.07Å; V74-Y76 HydrophobicContact CG1-CE1 3.87Å; V74-Y76 HydrophobicContact CG1-CE2 3.62Å; V74-Y76 HydrophobicContact CG1-CG 4.4Å; Y76-F78 AromaticContact CD1-CE2 3.93Å; Y76-F78 HydrophobicContact CD1-CE2 3.93Å; Y76-F78 AromaticContact CD1-CZ 3.75Å; Y76-F78 HydrophobicContact CD1-CZ 3.75Å; Y76-F78 AromaticContact CG-CE2 3.86Å; Y76-F78 HydrophobicContact CG-CE2 3.86Å; Y76-F78 HydrophobicContact CG-CZ 4.18Å; Y76-A177 HydrophobicContact CD2-CB 3.9Å; Y76-A177 HydrophobicContact CE2-CB 3.67Å; Y76-D178 PolarHBondContact N-O 2.99Å; Y76-Y179 AromaticContact CD2-CD1 3.72Å; Y76-Y179 HydrophobicContact CD2-CD1 3.72Å; Y76-Y179 AromaticContact CD2-CE1 3.35Å; Y76-Y179 HydrophobicContact CD2-CE1 3.35Å; Y76-Y179 AromaticContact CD2-CZ 3.95Å; Y76-Y179 AromaticContact CE2-CE1 3.91Å; Y76-Y179 HydrophobicContact CE2-CE1 3.91Å; Y76-Y179 AromaticContact CG-CD1 4Å; Y76-Y179 HydrophobicContact CG-CD1 4Å; Y76-Y179 AromaticContact CG-CE1 3.97Å; Y76-Y179 HydrophobicContact CG-CE1 3.97Å; Y76-A180 PolarHBondContact O-N 3.16Å
77Q94.7Very high84.8Confident117 Ų11767 Ų6755%0.54736%0.362SS..EExtended strand (participates in β ladder)trans-120114.8169.1-67.4-174.52.500108.7Y157Q77-Y157 PolarHBondContact NE2-OH 3.01Å
78F95.6Very high87.3Confident11 Ų1162.6 Ų62.65%0.04834%0.339CS..  trans-122.5166.5178.9-68.6-56.6000110.6I36 F46 Y76 F82 Y179 A180 Y181 G183I36-F78 HydrophobicContact CD1-CZ 4.14Å; F46-F78 HydrophobicContact CB-CE1 3.91Å; F46-F78 HydrophobicContact CB-CZ 4.27Å; Y76-F78 AromaticContact CD1-CE2 3.93Å; Y76-F78 HydrophobicContact CD1-CE2 3.93Å; Y76-F78 AromaticContact CD1-CZ 3.75Å; Y76-F78 HydrophobicContact CD1-CZ 3.75Å; Y76-F78 AromaticContact CG-CE2 3.86Å; Y76-F78 HydrophobicContact CG-CE2 3.86Å; Y76-F78 HydrophobicContact CG-CZ 4.18Å; F78-F82 HydrophobicContact CB-CB 3.9Å; F78-F82 HydrophobicContact CB-CD2 4.29Å; F78-F82 HydrophobicContact CB-CG 4.02Å; F78-F82 AromaticContact CD1-CD2 3.62Å; F78-F82 HydrophobicContact CD1-CD2 3.62Å; F78-F82 AromaticContact CD1-CE2 3.86Å; F78-F82 HydrophobicContact CD1-CE2 3.86Å; F78-F82 HydrophobicContact CD1-CG 4.19Å; F78-F82 HydrophobicContact CD2-CD1 4.19Å; F78-F82 HydrophobicContact CD2-CD2 4.24Å; F78-F82 HydrophobicContact CD2-CE1 4.18Å; F78-F82 HydrophobicContact CD2-CE2 4.23Å; F78-F82 HydrophobicContact CD2-CG 4.21Å; F78-F82 HydrophobicContact CD2-CZ 4.2Å; F78-F82 AromaticContact CE1-CD2 3.91Å; F78-F82 HydrophobicContact CE1-CD2 3.91Å; F78-F82 AromaticContact CE1-CE2 3.64Å; F78-F82 HydrophobicContact CE1-CE2 3.64Å; F78-F82 HydrophobicContact CE1-CZ 4.3Å; F78-F82 HydrophobicContact CE2-CD2 4.49Å; F78-F82 HydrophobicContact CE2-CE1 4.2Å; F78-F82 HydrophobicContact CE2-CE2 4.04Å; F78-F82 AromaticContact CE2-CZ 3.87Å; F78-F82 HydrophobicContact CE2-CZ 3.87Å; F78-F82 HydrophobicContact CG-CB 4.33Å; F78-F82 HydrophobicContact CG-CD1 4.33Å; F78-F82 AromaticContact CG-CD2 3.81Å; F78-F82 HydrophobicContact CG-CD2 3.81Å; F78-F82 HydrophobicContact CG-CE2 4.16Å; F78-F82 AromaticContact CG-CG 3.9Å; F78-F82 HydrophobicContact CG-CG 3.9Å; F78-F82 HydrophobicContact CZ-CD2 4.35Å; F78-F82 AromaticContact CZ-CE2 3.76Å; F78-F82 HydrophobicContact CZ-CE2 3.76Å; F78-F82 AromaticContact CZ-CZ 3.94Å; F78-F82 HydrophobicContact CZ-CZ 3.94Å; F78-Y179 HydrophobicContact CD2-CD1 4.33Å; F78-Y179 HydrophobicContact CE2-CD1 4.03Å; F78-Y179 HydrophobicContact CE2-CE1 4.44Å; F78-A180 PolarHBondContact N-O 2.73Å; F78-Y181 HydrophobicContact CB-CD1 3.9Å; F78-Y181 HydrophobicContact CB-CE1 4.35Å; F78-Y181 HydrophobicContact CD2-CD1 4.48Å; F78-Y181 HydrophobicContact CD2-CE1 4.1Å; F78-Y181 CarbonylContact O-C 3.14Å; F78-Y181 VanDerWaalsContact O-CA 3.22Å; F78-Y181 WeakPolarHBondContact O-CA 3.36Å; F78-G183 WeakPolarHBondContact O-CA 3.43Å; F78-G183 PolarHBondContact O-N 3.18Å
79T94.7Very high89.6Confident77 Ų7758.5 Ų58.547%0.47231%0.31SS..  trans-90.4163.517265.20000110.7A81 F82 Y181T79-A81 PolarHBondContact O-N 2.74Å; T79-A81 VanDerWaalsContact O-N 3.1Å; T79-F82 VanDerWaalsContact O-CB 3.26Å; T79-F82 WeakPolarHBondContact O-CB 3.37Å; T79-F82 PolarHBondContact O-N 2.83Å; T79-Y181 CarbonylContact C-O 3.25Å; T79-Y181 VanDerWaalsContact C-O 3.25Å
80P95Very high91.6Very high55 Ų5557.4 Ų57.436%0.35730%0.302SS..G310 helixtrans-59.6-26177.9-25.333.7000113.3F82 L83 V153 Y181P80-F82 PolarHBondContact O-N 2.79Å; P80-L83 PolarHBondContact O-N 2.91Å; P80-V153 HydrophobicContact CB-CG2 3.93Å; P80-V153 HydrophobicContact CG-CG1 4.24Å; P80-V153 HydrophobicContact CG-CG2 4.15Å; P80-Y181 WeakPolarHBondContact CA-O 3.44Å; P80-Y181 WeakPolarHBondContact CD-O 3.47Å; P80-Y181 WeakPolarHBondContact CG-O 3.31Å
81A93.4Very high93.3Very high61 Ų6152.5 Ų52.550%0.50427%0.273SS..G310 helixtrans-61.4-27.4177.500000112.6T79 L83 K84T79-A81 PolarHBondContact O-N 2.74Å; T79-A81 VanDerWaalsContact O-N 3.1Å; A81-L83 VanDerWaalsContact C-N 3.26Å; A81-L83 PolarHBondContact O-N 2.8Å; A81-K84 PolarHBondContact O-N 2.81Å
82F95.2Very high94.2Very high18 Ų1849.8 Ų49.88%0.07924%0.243CC..G310 helixtrans-58.9-37.4178.4-170.4-86.8000112.4L45 F78 T79 P80 K84 L85 F141 Y181L45-F82 HydrophobicContact CB-CE2 4.42Å; L45-F82 HydrophobicContact CD1-CD2 4.01Å; L45-F82 HydrophobicContact CD1-CE2 3.88Å; F78-F82 HydrophobicContact CB-CB 3.9Å; F78-F82 HydrophobicContact CB-CD2 4.29Å; F78-F82 HydrophobicContact CB-CG 4.02Å; F78-F82 AromaticContact CD1-CD2 3.62Å; F78-F82 HydrophobicContact CD1-CD2 3.62Å; F78-F82 AromaticContact CD1-CE2 3.86Å; F78-F82 HydrophobicContact CD1-CE2 3.86Å; F78-F82 HydrophobicContact CD1-CG 4.19Å; F78-F82 HydrophobicContact CD2-CD1 4.19Å; F78-F82 HydrophobicContact CD2-CD2 4.24Å; F78-F82 HydrophobicContact CD2-CE1 4.18Å; F78-F82 HydrophobicContact CD2-CE2 4.23Å; F78-F82 HydrophobicContact CD2-CG 4.21Å; F78-F82 HydrophobicContact CD2-CZ 4.2Å; F78-F82 AromaticContact CE1-CD2 3.91Å; F78-F82 HydrophobicContact CE1-CD2 3.91Å; F78-F82 AromaticContact CE1-CE2 3.64Å; F78-F82 HydrophobicContact CE1-CE2 3.64Å; F78-F82 HydrophobicContact CE1-CZ 4.3Å; F78-F82 HydrophobicContact CE2-CD2 4.49Å; F78-F82 HydrophobicContact CE2-CE1 4.2Å; F78-F82 HydrophobicContact CE2-CE2 4.04Å; F78-F82 AromaticContact CE2-CZ 3.87Å; F78-F82 HydrophobicContact CE2-CZ 3.87Å; F78-F82 HydrophobicContact CG-CB 4.33Å; F78-F82 HydrophobicContact CG-CD1 4.33Å; F78-F82 AromaticContact CG-CD2 3.81Å; F78-F82 HydrophobicContact CG-CD2 3.81Å; F78-F82 HydrophobicContact CG-CE2 4.16Å; F78-F82 AromaticContact CG-CG 3.9Å; F78-F82 HydrophobicContact CG-CG 3.9Å; F78-F82 HydrophobicContact CZ-CD2 4.35Å; F78-F82 AromaticContact CZ-CE2 3.76Å; F78-F82 HydrophobicContact CZ-CE2 3.76Å; F78-F82 AromaticContact CZ-CZ 3.94Å; F78-F82 HydrophobicContact CZ-CZ 3.94Å; T79-F82 VanDerWaalsContact O-CB 3.26Å; T79-F82 WeakPolarHBondContact O-CB 3.37Å; T79-F82 PolarHBondContact O-N 2.83Å; P80-F82 PolarHBondContact O-N 2.79Å; F82-K84 PolarHBondContact O-N 2.9Å; F82-L85 HydrophobicContact CD2-CD1 3.93Å; F82-L85 HydrophobicContact CE2-CD1 4.36Å; F82-L85 HydrophobicContact CG-CD1 4.27Å; F82-L85 WeakPolarHBondContact O-CB 3.47Å; F82-L85 WeakPolarHBondContact O-CG 3.46Å; F82-L85 PolarHBondContact O-N 2.84Å; F82-F141 AromaticContact CD1-CE2 3.91Å; F82-F141 HydrophobicContact CD1-CE2 3.91Å; F82-F141 HydrophobicContact CD1-CZ 4.41Å; F82-F141 AromaticContact CE1-CE2 3.45Å; F82-F141 HydrophobicContact CE1-CE2 3.45Å; F82-F141 VanDerWaalsContact CE1-CE2 3.45Å; F82-F141 AromaticContact CE1-CZ 3.5Å; F82-F141 HydrophobicContact CE1-CZ 3.5Å; F82-F141 AromaticContact CZ-CE2 3.91Å; F82-F141 HydrophobicContact CZ-CE2 3.91Å; F82-F141 AromaticContact CZ-CZ 3.66Å; F82-F141 HydrophobicContact CZ-CZ 3.66Å; F82-Y181 HydrophobicContact CB-CD1 4.49Å; F82-Y181 HydrophobicContact CD1-CD1 4.33Å; F82-Y181 AromaticContact CD1-CE1 3.85Å; F82-Y181 HydrophobicContact CD1-CE1 3.85Å; F82-Y181 HydrophobicContact CE1-CE1 4.41Å
83L95.2Very high94.7Very high13 Ų1349.5 Ų49.57%0.06824%0.243CC..G310 helixtrans-71.3-10.8180-64.8175.2000113.7P80 A81 L144 I149 M152 V153 Y181P80-L83 PolarHBondContact O-N 2.91Å; A81-L83 VanDerWaalsContact C-N 3.26Å; A81-L83 PolarHBondContact O-N 2.8Å; L83-L144 HydrophobicContact CD2-CD1 4.21Å; L83-I149 HydrophobicContact CB-CG1 4.26Å; L83-I149 HydrophobicContact CB-CG2 4.14Å; L83-I149 HydrophobicContact CD1-CB 4.45Å; L83-I149 HydrophobicContact CD1-CG2 3.88Å; L83-M152 HydrophobicContact CD1-CB 3.88Å; L83-M152 HydrophobicContact CD1-CE 4.42Å; L83-M152 HydrophobicContact CD2-CE 3.49Å; L83-M152 VanDerWaalsContact CD2-CE 3.49Å; L83-M152 HydrophobicContact CD2-SD 4.3Å; L83-V153 HydrophobicContact CD1-CG2 4.11Å; L83-Y181 HydrophobicContact CD1-CD1 4.17Å; L83-Y181 HydrophobicContact CD1-CD2 3.96Å; L83-Y181 HydrophobicContact CD1-CG 3.73Å; L83-Y181 HydrophobicContact CD2-CD1 3.78Å; L83-Y181 HydrophobicContact CD2-CD2 4.16Å; L83-Y181 HydrophobicContact CD2-CE1 3.6Å; L83-Y181 HydrophobicContact CD2-CE2 3.98Å; L83-Y181 HydrophobicContact CD2-CG 4.05Å; L83-Y181 HydrophobicContact CG-CD1 3.75Å; L83-Y181 HydrophobicContact CG-CD2 4.33Å; L83-Y181 HydrophobicContact CG-CE1 4.11Å; L83-Y181 HydrophobicContact CG-CG 3.87Å
84K93Very high94.8Very high158 Ų15845.4 Ų45.469%0.68723%0.225SC*.G310 helixtrans-100.1-5.2178.6-61.4-177.1177.7-176.30112.9A81 F82 I149A81-K84 PolarHBondContact O-N 2.81Å; F82-K84 PolarHBondContact O-N 2.9Å; K84-I149 HydrophobicContact CG-CD1 4.47Å
85L93.9Very high95.1Very high29 Ų2945.5 Ų45.515%0.15223%0.226CC..  trans-67.2142.5177.9-63.2173.2000110.3D38 L45 F82 V88 F141D38-L85 HydrophobicContact CB-CD2 4.37Å; L45-L85 HydrophobicContact CD1-CD1 3.3Å; L45-L85 HydrophobicContact CD2-CD1 4.39Å; L45-L85 HydrophobicContact CG-CD1 4.49Å; F82-L85 HydrophobicContact CD2-CD1 3.93Å; F82-L85 HydrophobicContact CE2-CD1 4.36Å; F82-L85 HydrophobicContact CG-CD1 4.27Å; F82-L85 WeakPolarHBondContact O-CB 3.47Å; F82-L85 WeakPolarHBondContact O-CG 3.46Å; F82-L85 PolarHBondContact O-N 2.84Å; L85-V88 HydrophobicContact CB-CG1 4.22Å; L85-V88 HydrophobicContact CD1-CG1 3.73Å; L85-F141 HydrophobicContact CB-CD2 4.15Å; L85-F141 HydrophobicContact CB-CE2 4.29Å; L85-F141 VanDerWaalsContact O-CB 3.31Å; L85-F141 WeakPolarHBondContact O-CB 3.43Å; L85-F141 WeakPolarHBondContact O-CD2 3.45Å
86R91.9Very high95.3Very high136 Ų13639.5 Ų39.551%0.51320%0.204SC..SBendtrans-88.7-44.6176.8-171.3-179.761.990.96.5111.7E40 F141E40-R86 IonicContact OE1-CZ 3.9Å; E40-R86 VanDerWaalsContact OE1-CZ 3.28Å; E40-R86 IonicContact OE1-NE 3.95Å; E40-R86 PolarHBondContact OE1-NE 2.94Å; E40-R86 IonicContact OE1-NH2 3.18Å; E40-R86 PolarHBondContact OE1-NH2 3.18Å; R86-F141 PolarHBondContact O-N 3.16Å
87T94.8Very high95.4Very high12 Ų1238.9 Ų38.97%0.07421%0.205CC..EExtended strand (participates in β ladder)trans-143.7128.4-172.841.20000111.6L39 Y139 E140L39-T87 PolarHBondContact N-O 3.37Å; T87-Y139 VanDerWaalsContact CA-O 3.3Å; T87-Y139 WeakPolarHBondContact CA-O 3.5Å; T87-E140 HydrophobicContact CG2-CG 4.07Å
88V96.6Very high95.4Very high4 Ų438.4 Ų38.42%0.02421%0.206CC..EExtended strand (participates in β ladder)trans-124.5147173.3-56.90000110.8I36 R37 L45 L85 Y139 F141I36-V88 HydrophobicContact CG2-CB 3.94Å; I36-V88 HydrophobicContact CG2-CG1 4.45Å; I36-V88 HydrophobicContact CG2-CG2 4.05Å; R37-V88 CarbonylContact O-C 3.54Å; R37-V88 VanDerWaalsContact O-CA 3.27Å; R37-V88 WeakPolarHBondContact O-CA 3.47Å; R37-V88 WeakPolarHBondContact O-CB 3.29Å; L45-V88 HydrophobicContact CD1-CG1 3.92Å; L85-V88 HydrophobicContact CB-CG1 4.22Å; L85-V88 HydrophobicContact CD1-CG1 3.73Å; V88-Y139 HydrophobicContact CG2-CG 4.26Å; V88-Y139 PolarHBondContact N-O 2.81Å; V88-Y139 PolarHBondContact O-N 2.7Å; V88-F141 HydrophobicContact CG1-CE2 4.39Å; V88-F141 HydrophobicContact CG1-CZ 4.22Å; V88-F141 HydrophobicContact CG2-CE1 3.63Å; V88-F141 HydrophobicContact CG2-CZ 3.67Å
89G97.6Very high95.5Very high0 Ų044.2 Ų44.20%023%0.228CC..EExtended strand (participates in β ladder)trans-103.1121.5173.100000109.2I36 R37I36-G89 WeakPolarHBondContact CA-O 3.31Å; R37-G89 PolarHBondContact N-O 3.21Å; R37-G89 PolarHBondContact O-N 2.86Å
90A96.8Very high95.5Very high1 Ų144.6 Ų44.61%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-104.2107.2174.200000109.6F34 K35 I36 E136 H137 Y139F34-A90 HydrophobicContact CE2-CB 3.89Å; F34-A90 HydrophobicContact CZ-CB 4.18Å; K35-A90 CarbonylContact O-C 3.57Å; K35-A90 VanDerWaalsContact O-CA 3.3Å; K35-A90 WeakPolarHBondContact O-CA 3.34Å; I36-A90 HydrophobicContact CG1-CB 4.44Å; A90-E136 WeakPolarHBondContact O-CA 3.36Å; A90-H137 PolarHBondContact N-O 3.2Å; A90-H137 PolarHBondContact O-N 3.44Å; A90-Y139 HydrophobicContact CB-CD2 3.92Å; A90-Y139 HydrophobicContact CB-CE2 3.5Å
91T97Very high95.6Very high17 Ų1742.3 Ų42.310%0.10422%0.216CC..EExtended strand (participates in β ladder)trans-86.7127172.5-46.40000109F34 K35 R37 T134 C135 E136F34-T91 WeakPolarHBondContact CA-O 3.34Å; K35-T91 PolarHBondContact N-O 2.8Å; K35-T91 PolarHBondContact O-N 3.43Å; R37-T91 PolarHBondContact NH1-OG1 2.9Å; T91-T134 HydrophobicContact CG2-CG2 3.85Å; T91-C135 WeakPolarHBondContact CA-O 3.43Å; T91-E136 PolarHBondContact OG1-OE1 2.81Å
92V95.6Very high95.5Very high10 Ų1043.5 Ų43.56%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-122.5132.5179.5-162.50000109.2F31 R33 F34 T134 C135F31-V92 HydrophobicContact CD1-CG1 3.3Å; F31-V92 HydrophobicContact CE1-CG1 3.57Å; F31-V92 HydrophobicContact CG-CG1 4.34Å; R33-V92 WeakPolarHBondContact O-CA 3.34Å; F34-V92 HydrophobicContact CD2-CG1 4.45Å; F34-V92 HydrophobicContact CD2-CG2 3.83Å; F34-V92 HydrophobicContact CE2-CG2 4.05Å; V92-T134 WeakPolarHBondContact O-CA 3.48Å; V92-C135 PolarHBondContact N-O 3.28Å; V92-C135 PolarHBondContact O-N 2.65Å
93E96.6Very high95.4Very high23 Ų2346.4 Ų46.411%0.10724%0.237CC..EExtended strand (participates in β ladder)trans-117.5134.7172.4-52.9-177.6-142.900109.7T32 R33 R132 N133 T134T32-E93 PolarHBondContact N-O 2.71Å; T32-E93 PolarHBondContact OG1-O 3.49Å; R33-E93 HydrophobicContact CB-CB 3.99Å; R33-E93 HydrophobicContact CB-CG 4.2Å; R33-E93 WeakPolarHBondContact CD-OE1 3.4Å; R33-E93 IonicContact CZ-OE1 2.99Å; R33-E93 PolarHBondContact N-O 2.56Å; R33-E93 IonicContact NE-OE1 2.81Å; R33-E93 IonicContact NH1-OE1 2.8Å; R33-E93 PolarHBondContact NH1-OE1 2.66Å; R33-E93 PolarHBondContact O-N 3.14Å; E93-R132 IonicContact OE2-CZ 3.93Å; E93-R132 IonicContact OE2-NE 2.62Å; E93-R132 PolarHBondContact OE2-NE 2.79Å; E93-R132 IonicContact OE2-NH2 2.94Å; E93-R132 PolarHBondContact OE2-NH2 3.4Å; E93-N133 WeakPolarHBondContact CA-O 3.07Å; E93-T134 HydrophobicContact CG-CG2 4.06Å
94F95.8Very high95.6Very high3 Ų345.8 Ų45.81%0.01323%0.234CC..EExtended strand (participates in β ladder)trans-150.2151.2-174.258.1-80.9000112V29 D30 F31 V96 F104 F124 R132 N133 C135V29-F94 HydrophobicContact CG1-CD2 4.41Å; D30-F94 CarbonylContact O-C 3.58Å; D30-F94 WeakPolarHBondContact O-CA 3.4Å; D30-F94 VanDerWaalsContact O-CB 3.25Å; D30-F94 WeakPolarHBondContact O-CB 3.27Å; F31-F94 HydrophobicContact CD1-CB 3.63Å; F31-F94 HydrophobicContact CD1-CD1 4.38Å; F31-F94 HydrophobicContact CD1-CG 4.24Å; F31-F94 HydrophobicContact CE1-CB 3.98Å; F31-F94 HydrophobicContact CE1-CD1 4.13Å; F31-F94 HydrophobicContact CE1-CG 4.12Å; F31-F94 HydrophobicContact CG-CB 4.45Å; F94-V96 HydrophobicContact CD2-CG1 3.75Å; F94-V96 HydrophobicContact CE2-CG1 3.82Å; F94-F104 HydrophobicContact CD2-CE1 4.48Å; F94-F104 HydrophobicContact CE2-CD1 4.25Å; F94-F104 AromaticContact CE2-CE1 4Å; F94-F104 HydrophobicContact CE2-CE1 4Å; F94-F104 HydrophobicContact CZ-CD1 4.36Å; F94-F104 HydrophobicContact CZ-CE1 4.25Å; F94-F124 HydrophobicContact CD1-CE1 4.45Å; F94-F124 AromaticContact CE1-CD1 3.65Å; F94-F124 HydrophobicContact CE1-CD1 3.65Å; F94-F124 AromaticContact CE1-CE1 3.93Å; F94-F124 HydrophobicContact CE1-CE1 3.93Å; F94-F124 AromaticContact CZ-CD1 3.75Å; F94-F124 HydrophobicContact CZ-CD1 3.75Å; F94-F124 HydrophobicContact CZ-CE1 4.34Å; F94-F124 HydrophobicContact CZ-CG 4.48Å; F94-R132 CarbonylContact O-C 3.53Å; F94-R132 WeakPolarHBondContact O-CA 3.39Å; F94-N133 HydrophobicContact CD1-CB 4.48Å; F94-N133 HydrophobicContact CD2-CB 4.19Å; F94-N133 HydrophobicContact CE1-CB 4Å; F94-N133 HydrophobicContact CE2-CB 3.7Å; F94-N133 HydrophobicContact CZ-CB 3.59Å; F94-N133 PolarHBondContact N-O 3.13Å; F94-N133 PolarHBondContact O-N 3.08Å; F94-C135 HydrophobicContact CE1-CB 4.18Å
95T96.5Very high95.8Very high51 Ų5142.2 Ų42.231%0.31322%0.216SC..EExtended strand (participates in β ladder)trans-99.5155.5170.255.50000110.2V29 D30 T32 S131 R132V29-T95 WeakPolarHBondContact CA-O 3.16Å; D30-T95 PolarHBondContact N-O 2.79Å; D30-T95 PolarHBondContact O-N 2.89Å; T32-T95 HydrophobicContact CG2-CG2 4.34Å; T95-S131 WeakPolarHBondContact CA-O 3.25Å; T95-R132 HydrophobicContact CG2-CB 4.3Å
96V96.6Very high95.9Very high9 Ų941.1 Ų41.16%0.05521%0.21CC..  trans-132.9151.7174.3-56.90000109.1V29 F94 I101 C127 I128 N130 S131V29-V96 HydrophobicContact CG2-CG1 4.38Å; F94-V96 HydrophobicContact CD2-CG1 3.75Å; F94-V96 HydrophobicContact CE2-CG1 3.82Å; V96-I101 HydrophobicContact CB-CD1 3.9Å; V96-I101 HydrophobicContact CG1-CD1 3.58Å; V96-C127 HydrophobicContact CG1-CB 4.44Å; V96-I128 WeakPolarHBondContact CG2-O 3.41Å; V96-N130 WeakPolarHBondContact O-CA 3.06Å; V96-N130 PolarHBondContact O-N 2.88Å; V96-S131 PolarHBondContact N-O 2.84Å
97G96.4Very high96.2Very high12 Ų1234.6 Ų34.612%0.12419%0.185CC..  trans-74.9-161.8177.400000113.8Y27 N130Y27-G97 PolarHBondContact O-N 2.86Å; G97-N130 PolarHBondContact O-N 2.78Å
98D96.3Very high96.2Very high106 Ų10634.9 Ų34.957%0.56719%0.186SC*.SBendtrans-75.8-27.4-177.466.2-28.4000113.5P100 N130D98-P100 WeakPolarHBondContact O-CD 3.46Å; D98-N130 WeakPolarHBondContact CA-ND2 3.47Å; D98-N130 VanDerWaalsContact CA-OD1 3.27Å; D98-N130 WeakPolarHBondContact CA-OD1 3.38Å; D98-N130 PolarHBondContact N-OD1 2.96Å; D98-N130 VanDerWaalsContact N-OD1 3.14Å
99R96.4Very high96.2Very high133 Ų13335.4 Ų35.450%0.50219%0.187SC..SBendtrans-68.6125.9178.8-63.9-171.4-176.9-147-0.8110.8Y27 I101Y27-R99 HydrophobicContact CD1-CB 3.87Å; Y27-R99 HydrophobicContact CE1-CB 4.29Å; R99-I101 PolarHBondContact O-N 2.9Å
100P95.1Very high96.1Very high85 Ų8536.6 Ų36.655%0.55219%0.193SC*.PPolyproline II helixtrans-57.9135.7172.6-23.633.6000111.5Y27 D98Y27-P100 WeakPolarHBondContact CE1-O 3.37Å; D98-P100 WeakPolarHBondContact O-CD 3.46Å
101I96.1Very high96Very high7 Ų736.6 Ų36.64%0.03619%0.193CC..BIsolated β-bridgetrans-103.2120.1175.2-62.1-178.9000108.5Y27 V29 V96 R99 F104 C127 V167Y27-I101 HydrophobicContact CD1-CG1 3.65Å; Y27-I101 HydrophobicContact CE1-CG1 4.44Å; Y27-I101 HydrophobicContact CG-CD1 4.39Å; Y27-I101 HydrophobicContact CG-CG1 3.99Å; V29-I101 HydrophobicContact CG2-CD1 3.56Å; V96-I101 HydrophobicContact CB-CD1 3.9Å; V96-I101 HydrophobicContact CG1-CD1 3.58Å; R99-I101 PolarHBondContact O-N 2.9Å; I101-F104 HydrophobicContact CG2-CB 3.58Å; I101-F104 HydrophobicContact CG2-CD2 4.31Å; I101-F104 HydrophobicContact CG2-CG 4Å; I101-C127 HydrophobicContact CB-CB 4.24Å; I101-V167 HydrophobicContact CG2-CB 4.35Å; I101-V167 HydrophobicContact CG2-CG1 3.78Å; I101-V167 HydrophobicContact CG2-CG2 3.65Å
102N92.5Very high96Very high86 Ų8636.1 Ų36.146%0.4619%0.189SC..  trans-108.2137.6175.2-61.2-53.8000110.3F104 V167 D168N102-F104 PolarHBondContact O-N 3.31Å; N102-V167 WeakPolarHBondContact O-CG1 3.49Å; N102-D168 VanDerWaalsContact CB-OD1 3.31Å; N102-D168 WeakPolarHBondContact CB-OD1 3.38Å; N102-D168 PolarHBondContact O-N 3.33Å; N102-D168 VanDerWaalsContact O-N 3.15Å
103S93.9Very high96Very high79 Ų7940.1 Ų40.155%0.55221%0.207SC*.SBendtrans52.253.2177.5-47.90000112.8R105S103-R105 PolarHBondContact O-N 3.37Å
104F97.4Very high95.7Very high1 Ų140.8 Ų40.80%0.00422%0.22CC..  trans-71.6117.7178.8-169-147.3000110.1V29 F31 F94 I101 N102 F124 Y165 F166 V167 I172V29-F104 HydrophobicContact CG1-CE1 4.29Å; V29-F104 HydrophobicContact CG1-CZ 3.87Å; V29-F104 HydrophobicContact CG2-CZ 4.36Å; F31-F104 HydrophobicContact CZ-CZ 4.4Å; F94-F104 HydrophobicContact CD2-CE1 4.48Å; F94-F104 HydrophobicContact CE2-CD1 4.25Å; F94-F104 AromaticContact CE2-CE1 4Å; F94-F104 HydrophobicContact CE2-CE1 4Å; F94-F104 HydrophobicContact CZ-CD1 4.36Å; F94-F104 HydrophobicContact CZ-CE1 4.25Å; I101-F104 HydrophobicContact CG2-CB 3.58Å; I101-F104 HydrophobicContact CG2-CD2 4.31Å; I101-F104 HydrophobicContact CG2-CG 4Å; N102-F104 PolarHBondContact O-N 3.31Å; F104-F124 HydrophobicContact CB-CB 4.09Å; F104-F124 HydrophobicContact CB-CD2 4.35Å; F104-F124 HydrophobicContact CD1-CB 3.56Å; F104-F124 AromaticContact CD1-CD1 3.95Å; F104-F124 HydrophobicContact CD1-CD1 3.95Å; F104-F124 AromaticContact CD1-CD2 3.37Å; F104-F124 HydrophobicContact CD1-CD2 3.37Å; F104-F124 HydrophobicContact CD1-CE1 4.47Å; F104-F124 AromaticContact CD1-CE2 3.93Å; F104-F124 HydrophobicContact CD1-CE2 3.93Å; F104-F124 AromaticContact CD1-CG 3.37Å; F104-F124 HydrophobicContact CD1-CG 3.37Å; F104-F124 HydrophobicContact CD1-CZ 4.45Å; F104-F124 HydrophobicContact CD2-CD2 4.42Å; F104-F124 HydrophobicContact CE1-CB 4.37Å; F104-F124 AromaticContact CE1-CD1 3.9Å; F104-F124 HydrophobicContact CE1-CD1 3.9Å; F104-F124 AromaticContact CE1-CD2 3.61Å; F104-F124 HydrophobicContact CE1-CD2 3.61Å; F104-F124 AromaticContact CE1-CE1 3.98Å; F104-F124 HydrophobicContact CE1-CE1 3.98Å; F104-F124 AromaticContact CE1-CE2 3.65Å; F104-F124 HydrophobicContact CE1-CE2 3.65Å; F104-F124 AromaticContact CE1-CG 3.72Å; F104-F124 HydrophobicContact CE1-CG 3.72Å; F104-F124 AromaticContact CE1-CZ 3.85Å; F104-F124 HydrophobicContact CE1-CZ 3.85Å; F104-F124 HydrophobicContact CE2-CE2 4.46Å; F104-F124 HydrophobicContact CG-CB 4.16Å; F104-F124 AromaticContact CG-CD2 3.8Å; F104-F124 HydrophobicContact CG-CD2 3.8Å; F104-F124 HydrophobicContact CG-CE2 4.41Å; F104-F124 HydrophobicContact CG-CG 4.14Å; F104-F124 HydrophobicContact CZ-CD2 4.22Å; F104-F124 AromaticContact CZ-CE2 3.93Å; F104-F124 HydrophobicContact CZ-CE2 3.93Å; F104-F124 HydrophobicContact CZ-CZ 4.22Å; F104-F124 PolarHBondContact O-N 3.02Å; F104-Y165 HydrophobicContact CE2-CD1 4.3Å; F104-Y165 HydrophobicContact CZ-CD1 4.06Å; F104-F166 WeakPolarHBondContact CA-O 3.45Å; F104-F166 WeakPolarHBondContact CD2-O 3.28Å; F104-V167 HydrophobicContact CD2-CG2 3.79Å; F104-V167 HydrophobicContact CE2-CG2 4.31Å; F104-I172 HydrophobicContact CE2-CD1 4.25Å
105R97.4Very high95.5Very high82 Ų8250.2 Ų50.231%0.30926%0.256SS..EExtended strand (participates in β ladder)trans-134.8140.2-170.5-175.3178.2178.9170.51.3111.2S103 D121 F122 Y165 F166S103-R105 PolarHBondContact O-N 3.37Å; R105-D121 IonicContact CZ-OD1 3.28Å; R105-D121 VanDerWaalsContact CZ-OD1 3.28Å; R105-D121 IonicContact CZ-OD2 3.58Å; R105-D121 IonicContact NE-OD1 2.7Å; R105-D121 PolarHBondContact NE-OD1 3.39Å; R105-D121 IonicContact NE-OD2 3.75Å; R105-D121 IonicContact NH2-OD1 3.09Å; R105-D121 PolarHBondContact NH2-OD1 2.93Å; R105-D121 VanDerWaalsContact NH2-OD1 3.09Å; R105-D121 IonicContact NH2-OD2 2.63Å; R105-D121 PolarHBondContact NH2-OD2 2.77Å; R105-F122 CarbonylContact C-O 3.59Å; R105-F122 VanDerWaalsContact CA-O 3.3Å; R105-F122 WeakPolarHBondContact CA-O 3.35Å; R105-F122 WeakPolarHBondContact CG-O 3.37Å; R105-Y165 WeakPolarHBondContact O-CA 2.99Å; R105-F166 PolarHBondContact N-O 2.82Å; R105-F166 PolarHBondContact O-N 2.94Å
106M97.3Very high95.3Very high6 Ų651.6 Ų51.63%0.0326%0.261CS..EExtended strand (participates in β ladder)trans-113.2131.4169.5-176.41787500110.5E108 D121 F122 F124 Y139 F164 Y165M106-E108 HydrophobicContact CE-CB 4.14Å; M106-E108 HydrophobicContact CG-CB 4.48Å; M106-D121 WeakPolarHBondContact O-CA 3.5Å; M106-F122 HydrophobicContact CE-CD2 3.62Å; M106-F122 HydrophobicContact CE-CE2 4.19Å; M106-F122 PolarHBondContact N-O 3.22Å; M106-F122 PolarHBondContact O-N 3.38Å; M106-F124 HydrophobicContact CB-CE2 3.73Å; M106-F124 HydrophobicContact CB-CZ 4.33Å; M106-Y139 WeakPolarHBondContact CE-OH 3.48Å; M106-F164 CarbonylContact C-O 3.58Å; M106-F164 WeakPolarHBondContact CA-O 3.22Å; M106-Y165 HydrophobicContact CB-CD1 3.99Å; M106-Y165 HydrophobicContact CB-CE1 4.02Å; M106-Y165 HydrophobicContact CG-CD1 3.99Å; M106-Y165 HydrophobicContact CG-CE1 3.68Å; M106-Y165 HydrophobicContact SD-CD1 4.25Å; M106-Y165 HydrophobicContact SD-CE1 3.36Å; M106-Y165 WeakPolarHBondContact SD-CE1 3.43Å
107I96.9Very high95.2Very high0 Ų053.1 Ų53.10%027%0.268CS..EExtended strand (participates in β ladder)trans-110.2119.5163.5-62.9174.4000107T5 I8 F9 R109 N119 F120 F164 F166T5-I107 HydrophobicContact CG2-CD1 3.78Å; I8-I107 HydrophobicContact CG2-CG2 4.21Å; F9-I107 HydrophobicContact CE2-CD1 3.78Å; F9-I107 HydrophobicContact CZ-CD1 3.79Å; I107-R109 HydrophobicContact CG2-CG 4.18Å; I107-N119 WeakPolarHBondContact CG2-OD1 3.45Å; I107-F120 CarbonylContact C-O 3.54Å; I107-F120 WeakPolarHBondContact CA-O 3.17Å; I107-F164 PolarHBondContact N-O 3.08Å; I107-F164 WeakPolarHBondContact O-CD2 3.37Å; I107-F164 PolarHBondContact O-N 3.17Å; I107-F166 HydrophobicContact CB-CE2 4.28Å; I107-F166 HydrophobicContact CD1-CE2 3.99Å; I107-F166 HydrophobicContact CG1-CE2 4.19Å
108E96.5Very high95Very high18 Ų1856 Ų568%0.08428%0.278CS..EExtended strand (participates in β ladder)trans-118.5129.7178.9-178173.297.500110.7M106 H110 N119 F120 Y139 D162 S163M106-E108 HydrophobicContact CE-CB 4.14Å; M106-E108 HydrophobicContact CG-CB 4.48Å; E108-H110 IonicContact OE1-CD2 3.08Å; E108-H110 IonicContact OE1-CE1 3.28Å; E108-H110 IonicContact OE1-NE2 2.88Å; E108-H110 PolarHBondContact OE1-NE2 2.75Å; E108-N119 CarbonylContact O-C 3.6Å; E108-N119 WeakPolarHBondContact O-CA 3.26Å; E108-F120 HydrophobicContact CB-CB 4.41Å; E108-F120 PolarHBondContact N-O 2.84Å; E108-F120 PolarHBondContact O-N 3.49Å; E108-Y139 VanDerWaalsContact OE1-CE1 3.28Å; E108-Y139 WeakPolarHBondContact OE1-CE1 3.29Å; E108-Y139 PolarHBondContact OE1-OH 3.39Å; E108-D162 WeakPolarHBondContact CA-O 3.16Å; E108-S163 WeakPolarHBondContact CG-OG 3.26Å; E108-S163 PolarHBondContact OE2-OG 3.4Å
109R95.6Very high94.9Very high14 Ų1453.1 Ų53.15%0.05326%0.262CS..EExtended strand (participates in β ladder)trans-125124.4-173.3-63.5175.966.683.6-8.8109.5V11 I107 Y111 L116 N119 S161 D162V11-R109 PolarHBondContact O-NH2 3.31Å; I107-R109 HydrophobicContact CG2-CG 4.18Å; R109-Y111 HydrophobicContact CB-CE2 3.67Å; R109-Y111 WeakPolarHBondContact CB-OH 3.08Å; R109-Y111 WeakPolarHBondContact CD-OH 3.23Å; R109-Y111 PolarHBondContact NE-OH 3.04Å; R109-Y111 WeakPolarHBondContact O-CE2 3.49Å; R109-L116 HydrophobicContact CB-CD1 4.19Å; R109-N119 VanDerWaalsContact CG-OD1 3.24Å; R109-N119 WeakPolarHBondContact CG-OD1 3.47Å; R109-N119 PolarHBondContact NH1-OD1 3.16Å; R109-S161 CarbonylContact O-C 3.44Å; R109-S161 WeakPolarHBondContact O-CA 3.33Å; R109-S161 VanDerWaalsContact O-CB 3.26Å; R109-S161 WeakPolarHBondContact O-CB 3.3Å; R109-D162 PolarHBondContact N-O 3.37Å; R109-D162 PolarHBondContact O-N 3.35Å
110H96.1Very high94.9Very high25 Ų2547.6 Ų47.612%0.11624%0.242CC..EExtended strand (participates in β ladder)trans-106.2136179.5-72.3-106.4000110.3E108 L117 K118 F120 K160 Y179E108-H110 IonicContact OE1-CD2 3.08Å; E108-H110 IonicContact OE1-CE1 3.28Å; E108-H110 IonicContact OE1-NE2 2.88Å; E108-H110 PolarHBondContact OE1-NE2 2.75Å; H110-L117 HydrophobicContact CB-CB 4.37Å; H110-L117 PolarHBondContact O-N 2.91Å; H110-K118 PolarHBondContact N-O 3.08Å; H110-F120 AromaticContact CD2-CD2 3.87Å; H110-F120 AromaticContact CD2-CE2 3.82Å; H110-K160 CarbonylContact C-O 3.59Å; H110-K160 WeakPolarHBondContact CA-O 3.06Å; H110-Y179 AromaticContact CE1-CZ 3.52Å; H110-Y179 PolarHBondContact CE1-OH 3.12Å; H110-Y179 AromaticContact ND1-CE2 3.89Å; H110-Y179 AromaticContact ND1-CZ 3.84Å
111Y95.3Very high95Very high2 Ų246.4 Ų46.41%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-131.8146.1-178-49-93.5000110.2C14 R109 R115 L116 T159 K160C14-Y111 HydrophobicContact CB-CD2 3.91Å; C14-Y111 HydrophobicContact CB-CE2 4.22Å; C14-Y111 HydrophobicContact CB-CG 4.33Å; R109-Y111 HydrophobicContact CB-CE2 3.67Å; R109-Y111 WeakPolarHBondContact CB-OH 3.08Å; R109-Y111 WeakPolarHBondContact CD-OH 3.23Å; R109-Y111 PolarHBondContact NE-OH 3.04Å; R109-Y111 WeakPolarHBondContact O-CE2 3.49Å; Y111-R115 CarbonylContact C-O 3.48Å; Y111-R115 WeakPolarHBondContact CA-O 3.33Å; Y111-L116 HydrophobicContact CD1-CB 4.13Å; Y111-L116 HydrophobicContact CD1-CD1 4.01Å; Y111-L116 HydrophobicContact CE1-CB 4.22Å; Y111-L116 HydrophobicContact CE1-CD1 3.65Å; Y111-T159 CarbonylContact O-C 3.55Å; Y111-T159 VanDerWaalsContact O-CA 3.23Å; Y111-T159 WeakPolarHBondContact O-CA 3.15Å; Y111-T159 WeakPolarHBondContact O-CG2 3.31Å; Y111-K160 PolarHBondContact N-O 2.87Å; Y111-K160 PolarHBondContact O-N 3.06Å
112F96.4Very high95Very high6 Ų647.6 Ų47.63%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-122.1122.6164.6177.6-115.4000108.7G114 R115 L117 L148 Q151 M152 H155 E158 T159F112-G114 PolarHBondContact O-N 2.6Å; F112-G114 VanDerWaalsContact O-N 3.12Å; F112-R115 PolarHBondContact N-O 3.14Å; F112-R115 WeakPolarHBondContact O-CB 3.28Å; F112-R115 PolarHBondContact O-N 3.31Å; F112-L117 HydrophobicContact CB-CD1 3.94Å; F112-L117 HydrophobicContact CB-CD2 4.07Å; F112-L117 HydrophobicContact CB-CG 4.09Å; F112-L148 HydrophobicContact CD1-CD1 3.54Å; F112-L148 HydrophobicContact CE1-CD1 3.85Å; F112-L148 HydrophobicContact CG-CD1 4.48Å; F112-Q151 HydrophobicContact CE1-CB 3.83Å; F112-Q151 HydrophobicContact CZ-CB 3.83Å; F112-M152 HydrophobicContact CB-CG 4.44Å; F112-M152 HydrophobicContact CD1-CG 4.04Å; F112-M152 HydrophobicContact CD2-CG 3.72Å; F112-M152 HydrophobicContact CE1-CG 4.17Å; F112-M152 HydrophobicContact CE2-CB 4.36Å; F112-M152 HydrophobicContact CE2-CG 3.86Å; F112-M152 HydrophobicContact CG-CG 3.8Å; F112-M152 HydrophobicContact CZ-CG 4.08Å; F112-H155 HydrophobicContact CE2-CB 4.02Å; F112-H155 HydrophobicContact CZ-CB 4.13Å; F112-E158 HydrophobicContact CD2-CB 4.32Å; F112-E158 HydrophobicContact CE2-CB 3.99Å; F112-T159 VanDerWaalsContact CD2-OG1 3.29Å; F112-T159 WeakPolarHBondContact CD2-OG1 3.49Å
113Q94.8Very high95.1Very high95 Ų9548.1 Ų48.144%0.44424%0.239SC..THydrogen-bonded Turntrans50.140.2-177.5-66.2-176.1-25.500113.3R115 E158Q113-R115 VanDerWaalsContact C-N 3.26Å; Q113-R115 PolarHBondContact O-N 3.12Å; Q113-E158 HydrophobicContact CG-CB 4.21Å; Q113-E158 WeakPolarHBondContact CG-OE2 3.42Å; Q113-E158 PolarHBondContact N-O 2.81Å; Q113-E158 PolarHBondContact NE2-OE2 2.77Å
114G90.4Very high95.2Very high37 Ų3745.2 Ų45.238%0.38122%0.216SC..THydrogen-bonded Turntrans79-3.7-179.900000115.6F112F112-G114 PolarHBondContact O-N 2.6Å; F112-G114 VanDerWaalsContact O-N 3.12Å
115R91.7Very high95Very high201 Ų20146.9 Ų46.976%0.75823%0.234SC*.EExtended strand (participates in β ladder)trans-91.3129.4174.2-61.9-177.8179.1-176.80.6110.4Y111 F112 Q113 L117Y111-R115 CarbonylContact C-O 3.48Å; Y111-R115 WeakPolarHBondContact CA-O 3.33Å; F112-R115 PolarHBondContact N-O 3.14Å; F112-R115 WeakPolarHBondContact O-CB 3.28Å; F112-R115 PolarHBondContact O-N 3.31Å; Q113-R115 VanDerWaalsContact C-N 3.26Å; Q113-R115 PolarHBondContact O-N 3.12Å; R115-L117 PolarHBondContact O-N 2.91Å
116L92.6Very high94.8Very high79 Ų7950.8 Ų50.841%0.41425%0.253SS..EExtended strand (participates in β ladder)trans-64.5123.2176.8-177.372.6000110.3R109 Y111R109-L116 HydrophobicContact CB-CD1 4.19Å; Y111-L116 HydrophobicContact CD1-CB 4.13Å; Y111-L116 HydrophobicContact CD1-CD1 4.01Å; Y111-L116 HydrophobicContact CE1-CB 4.22Å; Y111-L116 HydrophobicContact CE1-CD1 3.65Å
117L93.4Very high94.7Very high41 Ų4150.7 Ų50.722%0.21525%0.253CS..EExtended strand (participates in β ladder)trans-87.4-52172.5-65.2176.7000110.9H110 F112 R115 L144 L148 M152 T159H110-L117 HydrophobicContact CB-CB 4.37Å; H110-L117 PolarHBondContact O-N 2.91Å; F112-L117 HydrophobicContact CB-CD1 3.94Å; F112-L117 HydrophobicContact CB-CD2 4.07Å; F112-L117 HydrophobicContact CB-CG 4.09Å; R115-L117 PolarHBondContact O-N 2.91Å; L117-L144 HydrophobicContact CD2-CD2 4.39Å; L117-L148 HydrophobicContact CD2-CD2 4.02Å; L117-M152 HydrophobicContact CD1-CE 3.74Å; L117-M152 HydrophobicContact CD1-SD 4.23Å; L117-T159 HydrophobicContact CD1-CG2 4.21Å
118K93.6Very high94.6Very high74 Ų7455.1 Ų55.132%0.32228%0.276SS..EExtended strand (participates in β ladder)trans-157.9148.5-174.9-166.468.5173.1-166.80110.8H110 F120 P142H110-K118 PolarHBondContact N-O 3.08Å; K118-F120 HydrophobicContact CB-CE2 3.99Å; K118-F120 HydrophobicContact CB-CZ 4.14Å; K118-F120 HydrophobicContact CG-CD1 4.36Å; K118-F120 HydrophobicContact CG-CD2 4.25Å; K118-F120 HydrophobicContact CG-CE1 3.81Å; K118-F120 HydrophobicContact CG-CE2 3.69Å; K118-F120 HydrophobicContact CG-CZ 3.45Å; K118-F120 VanDerWaalsContact CG-CZ 3.45Å; K118-P142 HydrophobicContact CB-CG 4.34Å; K118-P142 HydrophobicContact CD-CB 4.5Å; K118-P142 HydrophobicContact CD-CG 4.43Å
119N94.1Very high94.6Very high44 Ų4456.4 Ų56.424%0.23529%0.286CS..EExtended strand (participates in β ladder)trans-114.6126.4168.2-179.2102.4000108.1I107 E108 R109I107-N119 WeakPolarHBondContact CG2-OD1 3.45Å; E108-N119 CarbonylContact O-C 3.6Å; E108-N119 WeakPolarHBondContact O-CA 3.26Å; R109-N119 VanDerWaalsContact CG-OD1 3.24Å; R109-N119 WeakPolarHBondContact CG-OD1 3.47Å; R109-N119 PolarHBondContact NH1-OD1 3.16Å
120F95.8Very high94.6Very high17 Ų1761.6 Ų61.68%0.07531%0.314CS..EExtended strand (participates in β ladder)trans-107.4145.8170.1-59.2-78.1000109.6I107 E108 H110 K118 F122 Y139 F141I107-F120 CarbonylContact C-O 3.54Å; I107-F120 WeakPolarHBondContact CA-O 3.17Å; E108-F120 HydrophobicContact CB-CB 4.41Å; E108-F120 PolarHBondContact N-O 2.84Å; E108-F120 PolarHBondContact O-N 3.49Å; H110-F120 AromaticContact CD2-CD2 3.87Å; H110-F120 AromaticContact CD2-CE2 3.82Å; K118-F120 HydrophobicContact CB-CE2 3.99Å; K118-F120 HydrophobicContact CB-CZ 4.14Å; K118-F120 HydrophobicContact CG-CD1 4.36Å; K118-F120 HydrophobicContact CG-CD2 4.25Å; K118-F120 HydrophobicContact CG-CE1 3.81Å; K118-F120 HydrophobicContact CG-CE2 3.69Å; K118-F120 HydrophobicContact CG-CZ 3.45Å; K118-F120 VanDerWaalsContact CG-CZ 3.45Å; F120-F122 HydrophobicContact CB-CD2 4.15Å; F120-F122 HydrophobicContact CB-CE2 3.47Å; F120-F122 VanDerWaalsContact CB-CE2 3.47Å; F120-F122 HydrophobicContact CB-CZ 3.88Å; F120-F122 HydrophobicContact CD1-CE2 4.39Å; F120-F122 HydrophobicContact CD1-CZ 4.02Å; F120-F122 HydrophobicContact CG-CE2 4.15Å; F120-F122 HydrophobicContact CG-CZ 4.25Å; F120-Y139 HydrophobicContact CB-CE1 4.27Å; F120-Y139 AromaticContact CD1-CD1 3.71Å; F120-Y139 HydrophobicContact CD1-CD1 3.71Å; F120-Y139 HydrophobicContact CD1-CE1 4.25Å; F120-Y139 HydrophobicContact CD1-CG 4.45Å; F120-Y139 AromaticContact CD2-CD1 3.73Å; F120-Y139 HydrophobicContact CD2-CD1 3.73Å; F120-Y139 AromaticContact CD2-CE1 3.72Å; F120-Y139 HydrophobicContact CD2-CE1 3.72Å; F120-Y139 AromaticContact CE1-CD1 3.68Å; F120-Y139 HydrophobicContact CE1-CD1 3.68Å; F120-Y139 HydrophobicContact CE1-CG 4.33Å; F120-Y139 AromaticContact CE2-CD1 3.69Å; F120-Y139 HydrophobicContact CE2-CD1 3.69Å; F120-Y139 HydrophobicContact CE2-CE1 4.06Å; F120-Y139 AromaticContact CG-CD1 3.74Å; F120-Y139 HydrophobicContact CG-CD1 3.74Å; F120-Y139 AromaticContact CG-CE1 3.82Å; F120-Y139 HydrophobicContact CG-CE1 3.82Å; F120-Y139 AromaticContact CZ-CD1 3.65Å; F120-Y139 HydrophobicContact CZ-CD1 3.65Å; F120-Y139 HydrophobicContact CZ-CE1 4.46Å; F120-F141 HydrophobicContact CZ-CD1 4.32Å
121D96.4Very high94.6Very high61 Ų6162 Ų6233%0.32632%0.32SS..EExtended strand (participates in β ladder)trans-145.6107.8-172.1-165.9-17000108R105 M106R105-D121 IonicContact CZ-OD1 3.28Å; R105-D121 VanDerWaalsContact CZ-OD1 3.28Å; R105-D121 IonicContact CZ-OD2 3.58Å; R105-D121 IonicContact NE-OD1 2.7Å; R105-D121 PolarHBondContact NE-OD1 3.39Å; R105-D121 IonicContact NE-OD2 3.75Å; R105-D121 IonicContact NH2-OD1 3.09Å; R105-D121 PolarHBondContact NH2-OD1 2.93Å; R105-D121 VanDerWaalsContact NH2-OD1 3.09Å; R105-D121 IonicContact NH2-OD2 2.63Å; R105-D121 PolarHBondContact NH2-OD2 2.77Å; M106-D121 WeakPolarHBondContact O-CA 3.5Å
122F96.8Very high94.7Very high31 Ų3168.9 Ų68.914%0.13635%0.346CS..EExtended strand (participates in β ladder)trans-127139.9-170.2-60.2-64000111.2R105 M106 F120 H137 I138 Y139R105-F122 CarbonylContact C-O 3.59Å; R105-F122 VanDerWaalsContact CA-O 3.3Å; R105-F122 WeakPolarHBondContact CA-O 3.35Å; R105-F122 WeakPolarHBondContact CG-O 3.37Å; M106-F122 HydrophobicContact CE-CD2 3.62Å; M106-F122 HydrophobicContact CE-CE2 4.19Å; M106-F122 PolarHBondContact N-O 3.22Å; M106-F122 PolarHBondContact O-N 3.38Å; F120-F122 HydrophobicContact CB-CD2 4.15Å; F120-F122 HydrophobicContact CB-CE2 3.47Å; F120-F122 VanDerWaalsContact CB-CE2 3.47Å; F120-F122 HydrophobicContact CB-CZ 3.88Å; F120-F122 HydrophobicContact CD1-CE2 4.39Å; F120-F122 HydrophobicContact CD1-CZ 4.02Å; F120-F122 HydrophobicContact CG-CE2 4.15Å; F120-F122 HydrophobicContact CG-CZ 4.25Å; F122-H137 WeakPolarHBondContact CB-NE2 3.39Å; F122-H137 HydrophobicContact CD1-CB 4.03Å; F122-H137 HydrophobicContact CD2-CB 3.99Å; F122-H137 AromaticContact CD2-CG 3.81Å; F122-H137 AromaticContact CD2-ND1 3.79Å; F122-H137 HydrophobicContact CE1-CB 4.02Å; F122-H137 HydrophobicContact CE2-CB 3.94Å; F122-H137 HydrophobicContact CG-CB 4.02Å; F122-H137 AromaticContact CG-CD2 3.77Å; F122-H137 AromaticContact CG-CG 3.66Å; F122-H137 AromaticContact CG-ND1 3.95Å; F122-H137 HydrophobicContact CZ-CB 3.96Å; F122-I138 WeakPolarHBondContact CE1-O 3.41Å; F122-Y139 HydrophobicContact CE2-CD1 4.19Å; F122-Y139 HydrophobicContact CE2-CD2 4.23Å; F122-Y139 AromaticContact CE2-CE1 3.74Å; F122-Y139 HydrophobicContact CE2-CE1 3.74Å; F122-Y139 AromaticContact CE2-CE2 3.74Å; F122-Y139 HydrophobicContact CE2-CE2 3.74Å; F122-Y139 HydrophobicContact CE2-CG 4.44Å; F122-Y139 AromaticContact CE2-CZ 3.5Å; F122-Y139 HydrophobicContact CZ-CD1 4.17Å; F122-Y139 HydrophobicContact CZ-CD2 4.01Å; F122-Y139 HydrophobicContact CZ-CE1 4.18Å; F122-Y139 AromaticContact CZ-CE2 3.99Å; F122-Y139 HydrophobicContact CZ-CE2 3.99Å; F122-Y139 HydrophobicContact CZ-CG 4.1Å
123D95.8Very high94.7Very high98 Ų9869.3 Ų69.352%0.52435%0.348SS..EExtended strand (participates in β ladder)trans-102.4131.8169-166.7-78.2000108.6G125D123-G125 VanDerWaalsContact C-N 3.29Å; D123-G125 VanDerWaalsContact OD1-CA 3.31Å; D123-G125 WeakPolarHBondContact OD1-CA 3.34Å; D123-G125 PolarHBondContact OD1-N 2.93Å
124F95.4Very high94.8Very high18 Ų1869.1 Ų69.18%0.07935%0.354CS..  trans-81.2-11-179.9-75.7-98.2000113F31 F94 F104 M106 C135 H137 Y165F31-F124 HydrophobicContact CE1-CE1 4.17Å; F31-F124 HydrophobicContact CE1-CZ 4.23Å; F31-F124 HydrophobicContact CZ-CE1 4.49Å; F31-F124 HydrophobicContact CZ-CZ 4.1Å; F94-F124 HydrophobicContact CD1-CE1 4.45Å; F94-F124 AromaticContact CE1-CD1 3.65Å; F94-F124 HydrophobicContact CE1-CD1 3.65Å; F94-F124 AromaticContact CE1-CE1 3.93Å; F94-F124 HydrophobicContact CE1-CE1 3.93Å; F94-F124 AromaticContact CZ-CD1 3.75Å; F94-F124 HydrophobicContact CZ-CD1 3.75Å; F94-F124 HydrophobicContact CZ-CE1 4.34Å; F94-F124 HydrophobicContact CZ-CG 4.48Å; F104-F124 HydrophobicContact CB-CB 4.09Å; F104-F124 HydrophobicContact CB-CD2 4.35Å; F104-F124 HydrophobicContact CD1-CB 3.56Å; F104-F124 AromaticContact CD1-CD1 3.95Å; F104-F124 HydrophobicContact CD1-CD1 3.95Å; F104-F124 AromaticContact CD1-CD2 3.37Å; F104-F124 HydrophobicContact CD1-CD2 3.37Å; F104-F124 HydrophobicContact CD1-CE1 4.47Å; F104-F124 AromaticContact CD1-CE2 3.93Å; F104-F124 HydrophobicContact CD1-CE2 3.93Å; F104-F124 AromaticContact CD1-CG 3.37Å; F104-F124 HydrophobicContact CD1-CG 3.37Å; F104-F124 HydrophobicContact CD1-CZ 4.45Å; F104-F124 HydrophobicContact CD2-CD2 4.42Å; F104-F124 HydrophobicContact CE1-CB 4.37Å; F104-F124 AromaticContact CE1-CD1 3.9Å; F104-F124 HydrophobicContact CE1-CD1 3.9Å; F104-F124 AromaticContact CE1-CD2 3.61Å; F104-F124 HydrophobicContact CE1-CD2 3.61Å; F104-F124 AromaticContact CE1-CE1 3.98Å; F104-F124 HydrophobicContact CE1-CE1 3.98Å; F104-F124 AromaticContact CE1-CE2 3.65Å; F104-F124 HydrophobicContact CE1-CE2 3.65Å; F104-F124 AromaticContact CE1-CG 3.72Å; F104-F124 HydrophobicContact CE1-CG 3.72Å; F104-F124 AromaticContact CE1-CZ 3.85Å; F104-F124 HydrophobicContact CE1-CZ 3.85Å; F104-F124 HydrophobicContact CE2-CE2 4.46Å; F104-F124 HydrophobicContact CG-CB 4.16Å; F104-F124 AromaticContact CG-CD2 3.8Å; F104-F124 HydrophobicContact CG-CD2 3.8Å; F104-F124 HydrophobicContact CG-CE2 4.41Å; F104-F124 HydrophobicContact CG-CG 4.14Å; F104-F124 HydrophobicContact CZ-CD2 4.22Å; F104-F124 AromaticContact CZ-CE2 3.93Å; F104-F124 HydrophobicContact CZ-CE2 3.93Å; F104-F124 HydrophobicContact CZ-CZ 4.22Å; F104-F124 PolarHBondContact O-N 3.02Å; M106-F124 HydrophobicContact CB-CE2 3.73Å; M106-F124 HydrophobicContact CB-CZ 4.33Å; F124-C135 HydrophobicContact CD1-CB 3.76Å; F124-C135 HydrophobicContact CE1-CB 4.35Å; F124-H137 AromaticContact CE1-CE1 3.62Å; F124-H137 AromaticContact CE2-CE1 3.95Å; F124-H137 AromaticContact CZ-CE1 3.57Å; F124-Y165 HydrophobicContact CE2-CD1 4.2Å; F124-Y165 HydrophobicContact CE2-CE1 4.4Å; F124-Y165 HydrophobicContact CZ-CD1 4.29Å; F124-Y165 HydrophobicContact CZ-CE1 4.1Å
125G92.4Very high95Very high36 Ų3668.3 Ų68.337%0.37134%0.342SS..  trans72.7-152.8-172.200000113D123 C127D123-G125 VanDerWaalsContact C-N 3.29Å; D123-G125 VanDerWaalsContact OD1-CA 3.31Å; D123-G125 WeakPolarHBondContact OD1-CA 3.34Å; D123-G125 PolarHBondContact OD1-N 2.93Å; G125-C127 PolarHBondContact O-N 2.86Å
126F92.8Very high95.3Very high164 Ų16462.6 Ų62.672%0.71932%0.324SS*.PPolyproline II helixtrans-75125.7-178.1-177.7-105000111.4I128F126-I128 HydrophobicContact CD1-CG1 3.99Å; F126-I128 HydrophobicContact CE1-CB 4.44Å; F126-I128 HydrophobicContact CE1-CG1 3.68Å
127C96.1Very high95.5Very high3 Ų359.1 Ų59.12%0.0231%0.306CS..BIsolated β-bridgetrans-104118175.4-620000109.6V96 I101 G125 P129 N133V96-C127 HydrophobicContact CG1-CB 4.44Å; I101-C127 HydrophobicContact CB-CB 4.24Å; G125-C127 PolarHBondContact O-N 2.86Å; C127-P129 WeakPolarHBondContact O-CD 3.4Å; C127-N133 WeakPolarHBondContact CA-OD1 3.45Å
128I95.4Very high95.6Very high94 Ų9460.7 Ų60.748%0.48231%0.313SS..PPolyproline II helixtrans-73121.7179-61.3161.5000108.7V96 F126 S131 N133V96-I128 WeakPolarHBondContact CG2-O 3.41Å; F126-I128 HydrophobicContact CD1-CG1 3.99Å; F126-I128 HydrophobicContact CE1-CB 4.44Å; F126-I128 HydrophobicContact CE1-CG1 3.68Å; I128-S131 VanDerWaalsContact CB-OG 3.25Å; I128-S131 WeakPolarHBondContact CB-OG 3.36Å; I128-S131 WeakPolarHBondContact CG2-OG 3.44Å; I128-S131 PolarHBondContact O-OG 2.89Å; I128-N133 PolarHBondContact N-OD1 3.31Å; I128-N133 PolarHBondContact O-ND2 3.16Å
129P96.8Very high95.7Very high45 Ų4558 Ų5829%0.29230%0.301SS..THydrogen-bonded Turntrans-59.5152178.5-24.535000113.2C127 S131C127-P129 WeakPolarHBondContact O-CD 3.4Å; P129-S131 PolarHBondContact O-N 2.8Å
130N95.5Very high95.7Very high122 Ų12262.1 Ų62.165%0.65232%0.319SS*.THydrogen-bonded Turntrans50.537.7179.8-67.1-45.6000113.8V96 G97 D98V96-N130 WeakPolarHBondContact O-CA 3.06Å; V96-N130 PolarHBondContact O-N 2.88Å; G97-N130 PolarHBondContact O-N 2.78Å; D98-N130 WeakPolarHBondContact CA-ND2 3.47Å; D98-N130 VanDerWaalsContact CA-OD1 3.27Å; D98-N130 WeakPolarHBondContact CA-OD1 3.38Å; D98-N130 PolarHBondContact N-OD1 2.96Å; D98-N130 VanDerWaalsContact N-OD1 3.14Å
131S95.4Very high95.5Very high33 Ų3363.2 Ų63.223%0.23132%0.324CS..SBendtrans-145.6169.2-17681.80000112.6T95 V96 I128 P129 N133T95-S131 WeakPolarHBondContact CA-O 3.25Å; V96-S131 PolarHBondContact N-O 2.84Å; I128-S131 VanDerWaalsContact CB-OG 3.25Å; I128-S131 WeakPolarHBondContact CB-OG 3.36Å; I128-S131 WeakPolarHBondContact CG2-OG 3.44Å; I128-S131 PolarHBondContact O-OG 2.89Å; P129-S131 PolarHBondContact O-N 2.8Å; S131-N133 PolarHBondContact O-ND2 2.9Å; S131-N133 PolarHBondContact OG-ND2 3Å
132R96.6Very high95.2Very high148 Ų14862.2 Ų62.256%0.55832%0.321SS*.EExtended strand (participates in β ladder)trans-89128.5168.3-174-176.1-173.9150.23.7108.8E93 F94 T95E93-R132 IonicContact OE2-CZ 3.93Å; E93-R132 IonicContact OE2-NE 2.62Å; E93-R132 PolarHBondContact OE2-NE 2.79Å; E93-R132 IonicContact OE2-NH2 2.94Å; E93-R132 PolarHBondContact OE2-NH2 3.4Å; F94-R132 CarbonylContact O-C 3.53Å; F94-R132 WeakPolarHBondContact O-CA 3.39Å; T95-R132 HydrophobicContact CG2-CB 4.3Å
133N96.9Very high94.9Very high14 Ų1468.1 Ų68.18%0.07535%0.349CS..EExtended strand (participates in β ladder)trans-112.8155.4178-64.5-91.7000109.3E93 F94 C127 I128 S131E93-N133 WeakPolarHBondContact CA-O 3.07Å; F94-N133 HydrophobicContact CD1-CB 4.48Å; F94-N133 HydrophobicContact CD2-CB 4.19Å; F94-N133 HydrophobicContact CE1-CB 4Å; F94-N133 HydrophobicContact CE2-CB 3.7Å; F94-N133 HydrophobicContact CZ-CB 3.59Å; F94-N133 PolarHBondContact N-O 3.13Å; F94-N133 PolarHBondContact O-N 3.08Å; C127-N133 WeakPolarHBondContact CA-OD1 3.45Å; I128-N133 PolarHBondContact N-OD1 3.31Å; I128-N133 PolarHBondContact O-ND2 3.16Å; S131-N133 PolarHBondContact O-ND2 2.9Å; S131-N133 PolarHBondContact OG-ND2 3Å
134T96.8Very high94.7Very high92 Ų9265 Ų6556%0.56433%0.332SS*.EExtended strand (participates in β ladder)trans-132.9133.3176.3-57.10000108.8T91 V92 E93T91-T134 HydrophobicContact CG2-CG2 3.85Å; V92-T134 WeakPolarHBondContact O-CA 3.48Å; E93-T134 HydrophobicContact CG-CG2 4.06Å
135C95.9Very high94.7Very high19 Ų1968.2 Ų68.213%0.12836%0.355CS..EExtended strand (participates in β ladder)trans-132.2148.9176-1710000109.5T91 V92 F94 F124 H137T91-C135 WeakPolarHBondContact CA-O 3.43Å; V92-C135 PolarHBondContact N-O 3.28Å; V92-C135 PolarHBondContact O-N 2.65Å; F94-C135 HydrophobicContact CE1-CB 4.18Å; F124-C135 HydrophobicContact CD1-CB 3.76Å; F124-C135 HydrophobicContact CE1-CB 4.35Å; C135-H137 PolarHBondContact SG-NE2 2.71Å; C135-H137 VanDerWaalsContact SG-NE2 3.39Å
136E96.6Very high94.9Very high81 Ų8174.8 Ų74.838%0.37938%0.375SS..EExtended strand (participates in β ladder)trans-121.9118.9171.9177.9158.6-81.900109.9R37 A90 T91 I138R37-E136 IonicContact CZ-OE1 2.95Å; R37-E136 IonicContact CZ-OE2 3.18Å; R37-E136 IonicContact NH1-OE1 3.74Å; R37-E136 PolarHBondContact NH1-OE1 3.44Å; R37-E136 IonicContact NH1-OE2 3.93Å; R37-E136 IonicContact NH2-OE1 2.83Å; R37-E136 PolarHBondContact NH2-OE1 3.24Å; R37-E136 IonicContact NH2-OE2 3.53Å; R37-E136 PolarHBondContact NH2-OE2 3.01Å; A90-E136 WeakPolarHBondContact O-CA 3.36Å; T91-E136 PolarHBondContact OG1-OE1 2.81Å; E136-I138 HydrophobicContact CG-CD1 4Å
137H96.6Very high95.1Very high7 Ų772.1 Ų72.13%0.03237%0.369CS..EExtended strand (participates in β ladder)trans-99.5132.2174-63.2151.3000110A90 F122 F124 C135 Y139A90-H137 PolarHBondContact N-O 3.2Å; A90-H137 PolarHBondContact O-N 3.44Å; F122-H137 WeakPolarHBondContact CB-NE2 3.39Å; F122-H137 HydrophobicContact CD1-CB 4.03Å; F122-H137 HydrophobicContact CD2-CB 3.99Å; F122-H137 AromaticContact CD2-CG 3.81Å; F122-H137 AromaticContact CD2-ND1 3.79Å; F122-H137 HydrophobicContact CE1-CB 4.02Å; F122-H137 HydrophobicContact CE2-CB 3.94Å; F122-H137 HydrophobicContact CG-CB 4.02Å; F122-H137 AromaticContact CG-CD2 3.77Å; F122-H137 AromaticContact CG-CG 3.66Å; F122-H137 AromaticContact CG-ND1 3.95Å; F122-H137 HydrophobicContact CZ-CB 3.96Å; F124-H137 AromaticContact CE1-CE1 3.62Å; F124-H137 AromaticContact CE2-CE1 3.95Å; F124-H137 AromaticContact CZ-CE1 3.57Å; C135-H137 PolarHBondContact SG-NE2 2.71Å; C135-H137 VanDerWaalsContact SG-NE2 3.39Å; H137-Y139 HydrophobicContact CB-CD2 4.26Å; H137-Y139 HydrophobicContact CB-CE2 3.78Å
138I96.6Very high95.1Very high74 Ų7473.8 Ų73.838%0.37938%0.377SS..EExtended strand (participates in β ladder)trans-97.7115.9176.9-51.8-59.8000108.4L39 F122 E136L39-I138 HydrophobicContact CD1-CD1 3.75Å; L39-I138 HydrophobicContact CD1-CG2 3.77Å; F122-I138 WeakPolarHBondContact CE1-O 3.41Å; E136-I138 HydrophobicContact CG-CD1 4Å
139Y95.7Very high95.1Very high16 Ų1670.4 Ų70.46%0.06336%0.36CS..EExtended strand (participates in β ladder)trans-97.5117.8178.7-73.2-107000109.5T87 V88 A90 M106 E108 F120 F122 H137T87-Y139 VanDerWaalsContact CA-O 3.3Å; T87-Y139 WeakPolarHBondContact CA-O 3.5Å; V88-Y139 HydrophobicContact CG2-CG 4.26Å; V88-Y139 PolarHBondContact N-O 2.81Å; V88-Y139 PolarHBondContact O-N 2.7Å; A90-Y139 HydrophobicContact CB-CD2 3.92Å; A90-Y139 HydrophobicContact CB-CE2 3.5Å; M106-Y139 WeakPolarHBondContact CE-OH 3.48Å; E108-Y139 VanDerWaalsContact OE1-CE1 3.28Å; E108-Y139 WeakPolarHBondContact OE1-CE1 3.29Å; E108-Y139 PolarHBondContact OE1-OH 3.39Å; F120-Y139 HydrophobicContact CB-CE1 4.27Å; F120-Y139 AromaticContact CD1-CD1 3.71Å; F120-Y139 HydrophobicContact CD1-CD1 3.71Å; F120-Y139 HydrophobicContact CD1-CE1 4.25Å; F120-Y139 HydrophobicContact CD1-CG 4.45Å; F120-Y139 AromaticContact CD2-CD1 3.73Å; F120-Y139 HydrophobicContact CD2-CD1 3.73Å; F120-Y139 AromaticContact CD2-CE1 3.72Å; F120-Y139 HydrophobicContact CD2-CE1 3.72Å; F120-Y139 AromaticContact CE1-CD1 3.68Å; F120-Y139 HydrophobicContact CE1-CD1 3.68Å; F120-Y139 HydrophobicContact CE1-CG 4.33Å; F120-Y139 AromaticContact CE2-CD1 3.69Å; F120-Y139 HydrophobicContact CE2-CD1 3.69Å; F120-Y139 HydrophobicContact CE2-CE1 4.06Å; F120-Y139 AromaticContact CG-CD1 3.74Å; F120-Y139 HydrophobicContact CG-CD1 3.74Å; F120-Y139 AromaticContact CG-CE1 3.82Å; F120-Y139 HydrophobicContact CG-CE1 3.82Å; F120-Y139 AromaticContact CZ-CD1 3.65Å; F120-Y139 HydrophobicContact CZ-CD1 3.65Å; F120-Y139 HydrophobicContact CZ-CE1 4.46Å; F122-Y139 HydrophobicContact CE2-CD1 4.19Å; F122-Y139 HydrophobicContact CE2-CD2 4.23Å; F122-Y139 AromaticContact CE2-CE1 3.74Å; F122-Y139 HydrophobicContact CE2-CE1 3.74Å; F122-Y139 AromaticContact CE2-CE2 3.74Å; F122-Y139 HydrophobicContact CE2-CE2 3.74Å; F122-Y139 HydrophobicContact CE2-CG 4.44Å; F122-Y139 AromaticContact CE2-CZ 3.5Å; F122-Y139 HydrophobicContact CZ-CD1 4.17Å; F122-Y139 HydrophobicContact CZ-CD2 4.01Å; F122-Y139 HydrophobicContact CZ-CE1 4.18Å; F122-Y139 AromaticContact CZ-CE2 3.99Å; F122-Y139 HydrophobicContact CZ-CE2 3.99Å; F122-Y139 HydrophobicContact CZ-CG 4.1Å; H137-Y139 HydrophobicContact CB-CD2 4.26Å; H137-Y139 HydrophobicContact CB-CE2 3.78Å
140E94.2Very high95.2Very high132 Ų13273.8 Ų73.862%0.61737%0.367SS*.EExtended strand (participates in β ladder)trans-95109169.5-63.1-176173.200109.5T87T87-E140 HydrophobicContact CG2-CG 4.07Å
141F91.9Very high95.3Very high40 Ų4071.2 Ų71.218%0.17535%0.351CS..  trans-74.6140.6-176.8-77.19000110.9F82 L85 R86 V88 F120F82-F141 AromaticContact CD1-CE2 3.91Å; F82-F141 HydrophobicContact CD1-CE2 3.91Å; F82-F141 HydrophobicContact CD1-CZ 4.41Å; F82-F141 AromaticContact CE1-CE2 3.45Å; F82-F141 HydrophobicContact CE1-CE2 3.45Å; F82-F141 VanDerWaalsContact CE1-CE2 3.45Å; F82-F141 AromaticContact CE1-CZ 3.5Å; F82-F141 HydrophobicContact CE1-CZ 3.5Å; F82-F141 AromaticContact CZ-CE2 3.91Å; F82-F141 HydrophobicContact CZ-CE2 3.91Å; F82-F141 AromaticContact CZ-CZ 3.66Å; F82-F141 HydrophobicContact CZ-CZ 3.66Å; L85-F141 HydrophobicContact CB-CD2 4.15Å; L85-F141 HydrophobicContact CB-CE2 4.29Å; L85-F141 VanDerWaalsContact O-CB 3.31Å; L85-F141 WeakPolarHBondContact O-CB 3.43Å; L85-F141 WeakPolarHBondContact O-CD2 3.45Å; R86-F141 PolarHBondContact O-N 3.16Å; V88-F141 HydrophobicContact CG1-CE2 4.39Å; V88-F141 HydrophobicContact CG1-CZ 4.22Å; V88-F141 HydrophobicContact CG2-CE1 3.63Å; V88-F141 HydrophobicContact CG2-CZ 3.67Å; F120-F141 HydrophobicContact CZ-CD1 4.32Å
142P89.4Confident95.4Very high39 Ų3969.8 Ų69.825%0.25334%0.341SS..  trans-65.9148.2170.330.8-34.4000110K118 L144K118-P142 HydrophobicContact CB-CG 4.34Å; K118-P142 HydrophobicContact CD-CB 4.5Å; K118-P142 HydrophobicContact CD-CG 4.43Å; P142-L144 HydrophobicContact CB-CD2 4.42Å; P142-L144 HydrophobicContact CG-CD2 3.9Å; P142-L144 HydrophobicContact CG-CG 4.39Å; P142-L144 PolarHBondContact O-N 2.66Å
143Q89.6Confident95.5Very high155 Ų15564.4 Ų64.472%0.72432%0.324SS*.  trans-72.8113166.9-64.8-62.2-49.300108.4
144L93.4Very high95.5Very high34 Ų3468.9 Ų68.918%0.17835%0.345CS..  trans-94137.3-178.4-60.8175.1000110.1L83 L117 P142 L148 I149 M152L83-L144 HydrophobicContact CD2-CD1 4.21Å; L117-L144 HydrophobicContact CD2-CD2 4.39Å; P142-L144 HydrophobicContact CB-CD2 4.42Å; P142-L144 HydrophobicContact CG-CD2 3.9Å; P142-L144 HydrophobicContact CG-CG 4.39Å; P142-L144 PolarHBondContact O-N 2.66Å; L144-L148 HydrophobicContact CD2-CD2 3.94Å; L144-I149 HydrophobicContact CB-CD1 4.16Å; L144-I149 HydrophobicContact CB-CG1 3.78Å; L144-I149 HydrophobicContact CD1-CG1 4.47Å; L144-M152 HydrophobicContact CD1-CE 4.38Å; L144-M152 HydrophobicContact CD1-SD 3.94Å
145P95.2Very high95.6Very high85 Ų8567.6 Ų67.655%0.55233%0.332SS*.  trans-58.9146.4171.8-23.133.4000112.1D147 L148 I149P145-D147 VanDerWaalsContact C-N 3.29Å; P145-D147 PolarHBondContact O-N 3.5Å; P145-L148 HydrophobicContact CB-CB 4.42Å; P145-L148 WeakPolarHBondContact O-CB 3.39Å; P145-L148 PolarHBondContact O-N 2.77Å; P145-I149 PolarHBondContact O-N 3.19Å
146E95.2Very high95.6Very high173 Ų17368.9 Ų68.981%0.80834%0.34SS*.Hα-helixtrans-57.2-40.3-178.2-66.6-173.1169.200112.9L148 I149 R150E146-L148 VanDerWaalsContact C-N 3.28Å; E146-L148 PolarHBondContact O-N 2.88Å; E146-I149 PolarHBondContact O-N 2.86Å; E146-R150 PolarHBondContact O-N 3.42Å
147D96.6Very high95.6Very high108 Ų10868 Ų6858%0.57833%0.334SS*.Hα-helixtrans-61.5-36.5176.2-76.3-34.7000112.8P145 Q151P145-D147 VanDerWaalsContact C-N 3.29Å; P145-D147 PolarHBondContact O-N 3.5Å; D147-Q151 WeakPolarHBondContact O-CG 3.46Å; D147-Q151 PolarHBondContact O-N 2.82Å
148L96.8Very high95.7Very high39 Ų3971.2 Ų71.220%0.20435%0.349CS..Hα-helixtrans-72-41.5177.2178.959.6000110.8F112 L117 L144 P145 E146 R150 Q151 M152F112-L148 HydrophobicContact CD1-CD1 3.54Å; F112-L148 HydrophobicContact CE1-CD1 3.85Å; F112-L148 HydrophobicContact CG-CD1 4.48Å; L117-L148 HydrophobicContact CD2-CD2 4.02Å; L144-L148 HydrophobicContact CD2-CD2 3.94Å; P145-L148 HydrophobicContact CB-CB 4.42Å; P145-L148 WeakPolarHBondContact O-CB 3.39Å; P145-L148 PolarHBondContact O-N 2.77Å; E146-L148 VanDerWaalsContact C-N 3.28Å; E146-L148 PolarHBondContact O-N 2.88Å; L148-R150 VanDerWaalsContact C-N 3.3Å; L148-R150 PolarHBondContact O-N 3.26Å; L148-Q151 PolarHBondContact O-N 2.87Å; L148-M152 HydrophobicContact CD1-CG 4.26Å; L148-M152 HydrophobicContact CD1-SD 4.32Å; L148-M152 HydrophobicContact CG-CG 4.48Å; L148-M152 HydrophobicContact CG-SD 4.04Å; L148-M152 VanDerWaalsContact O-CG 3.31Å; L148-M152 WeakPolarHBondContact O-CG 3.29Å; L148-M152 PolarHBondContact O-N 3.14Å
149I96.8Very high95.7Very high23 Ų2367.7 Ų67.712%0.11833%0.331CS..Hα-helixtrans-57.3-46.9173.7-67.3175.6000109.9L83 K84 L144 P145 E146 Q151 M152 V153L83-I149 HydrophobicContact CB-CG1 4.26Å; L83-I149 HydrophobicContact CB-CG2 4.14Å; L83-I149 HydrophobicContact CD1-CB 4.45Å; L83-I149 HydrophobicContact CD1-CG2 3.88Å; K84-I149 HydrophobicContact CG-CD1 4.47Å; L144-I149 HydrophobicContact CB-CD1 4.16Å; L144-I149 HydrophobicContact CB-CG1 3.78Å; L144-I149 HydrophobicContact CD1-CG1 4.47Å; P145-I149 PolarHBondContact O-N 3.19Å; E146-I149 PolarHBondContact O-N 2.86Å; I149-Q151 PolarHBondContact O-N 3.09Å; I149-M152 PolarHBondContact O-N 2.87Å; I149-V153 WeakPolarHBondContact O-CG2 3.17Å; I149-V153 PolarHBondContact O-N 2.82Å
150R97.2Very high95.8Very high116 Ų11671.5 Ų71.544%0.43835%0.348SS..Hα-helixtrans-58.2-47.6177.4-173.3-179.26373.65.1111.5E146 L148 M152 V153 E154E146-R150 PolarHBondContact O-N 3.42Å; L148-R150 VanDerWaalsContact C-N 3.3Å; L148-R150 PolarHBondContact O-N 3.26Å; R150-M152 PolarHBondContact O-N 3.23Å; R150-V153 PolarHBondContact O-N 2.88Å; R150-E154 VanDerWaalsContact CG-OE1 3.29Å; R150-E154 WeakPolarHBondContact CG-OE1 3.37Å; R150-E154 IonicContact CZ-OE1 3.96Å; R150-E154 IonicContact CZ-OE2 2.63Å; R150-E154 IonicContact NH1-OE1 3.12Å; R150-E154 PolarHBondContact NH1-OE1 3.04Å; R150-E154 IonicContact NH1-OE2 3.82Å; R150-E154 PolarHBondContact NH1-OE2 2.9Å; R150-E154 WeakPolarHBondContact O-CG 3.37Å; R150-E154 PolarHBondContact O-N 3.44Å
151Q98.1Very high95.9Very high68 Ų6865.3 Ų65.332%0.31832%0.319SS..Hα-helixtrans-60.3-44.9176.1-72.7174.435.300112.1F112 D147 L148 I149 V153 E154 H155F112-Q151 HydrophobicContact CE1-CB 3.83Å; F112-Q151 HydrophobicContact CZ-CB 3.83Å; D147-Q151 WeakPolarHBondContact O-CG 3.46Å; D147-Q151 PolarHBondContact O-N 2.82Å; L148-Q151 PolarHBondContact O-N 2.87Å; I149-Q151 PolarHBondContact O-N 3.09Å; Q151-V153 PolarHBondContact O-N 2.82Å; Q151-E154 PolarHBondContact O-N 3.06Å; Q151-H155 WeakPolarHBondContact O-CB 3.12Å; Q151-H155 PolarHBondContact O-CD2 2.7Å; Q151-H155 PolarHBondContact O-N 3.44Å
152M97.9Very high96.2Very high2 Ų263.4 Ų63.41%0.0131%0.311CS..Hα-helixtrans-62.8-29.9178.8-70.5173.169.400112.8L83 F112 L117 L144 L148 I149 R150 T159 Y181L83-M152 HydrophobicContact CD1-CB 3.88Å; L83-M152 HydrophobicContact CD1-CE 4.42Å; L83-M152 HydrophobicContact CD2-CE 3.49Å; L83-M152 VanDerWaalsContact CD2-CE 3.49Å; L83-M152 HydrophobicContact CD2-SD 4.3Å; F112-M152 HydrophobicContact CB-CG 4.44Å; F112-M152 HydrophobicContact CD1-CG 4.04Å; F112-M152 HydrophobicContact CD2-CG 3.72Å; F112-M152 HydrophobicContact CE1-CG 4.17Å; F112-M152 HydrophobicContact CE2-CB 4.36Å; F112-M152 HydrophobicContact CE2-CG 3.86Å; F112-M152 HydrophobicContact CG-CG 3.8Å; F112-M152 HydrophobicContact CZ-CG 4.08Å; L117-M152 HydrophobicContact CD1-CE 3.74Å; L117-M152 HydrophobicContact CD1-SD 4.23Å; L144-M152 HydrophobicContact CD1-CE 4.38Å; L144-M152 HydrophobicContact CD1-SD 3.94Å; L148-M152 HydrophobicContact CD1-CG 4.26Å; L148-M152 HydrophobicContact CD1-SD 4.32Å; L148-M152 HydrophobicContact CG-CG 4.48Å; L148-M152 HydrophobicContact CG-SD 4.04Å; L148-M152 VanDerWaalsContact O-CG 3.31Å; L148-M152 WeakPolarHBondContact O-CG 3.29Å; L148-M152 PolarHBondContact O-N 3.14Å; I149-M152 PolarHBondContact O-N 2.87Å; R150-M152 PolarHBondContact O-N 3.23Å; M152-T159 HydrophobicContact CE-CG2 4.06Å; M152-T159 WeakPolarHBondContact CE-OG1 3.49Å; M152-Y181 HydrophobicContact CB-CD2 4.09Å; M152-Y181 HydrophobicContact CB-CE2 4.39Å; M152-Y181 HydrophobicContact CE-CD2 4.34Å; M152-Y181 HydrophobicContact CE-CE2 3.62Å
153V97.8Very high96.5Very high35 Ų3561.9 Ų61.921%0.21230%0.301CS..Hα-helixtrans-75.4-41.8174.3173.30000111.8P80 L83 I149 R150 Q151 H155 N182P80-V153 HydrophobicContact CB-CG2 3.93Å; P80-V153 HydrophobicContact CG-CG1 4.24Å; P80-V153 HydrophobicContact CG-CG2 4.15Å; L83-V153 HydrophobicContact CD1-CG2 4.11Å; I149-V153 WeakPolarHBondContact O-CG2 3.17Å; I149-V153 PolarHBondContact O-N 2.82Å; R150-V153 PolarHBondContact O-N 2.88Å; Q151-V153 PolarHBondContact O-N 2.82Å; V153-H155 VanDerWaalsContact C-N 3.29Å; V153-H155 PolarHBondContact O-N 3.17Å; V153-N182 HydrophobicContact CG1-CB 4.41Å
154E97.8Very high96.8Very high109 Ų10954.5 Ų54.551%0.50927%0.267SS..Hα-helixtrans-72.1-20.8-179.7-72.6170.1-174.300113.4R150 Q151 P156R150-E154 VanDerWaalsContact CG-OE1 3.29Å; R150-E154 WeakPolarHBondContact CG-OE1 3.37Å; R150-E154 IonicContact CZ-OE1 3.96Å; R150-E154 IonicContact CZ-OE2 2.63Å; R150-E154 IonicContact NH1-OE1 3.12Å; R150-E154 PolarHBondContact NH1-OE1 3.04Å; R150-E154 IonicContact NH1-OE2 3.82Å; R150-E154 PolarHBondContact NH1-OE2 2.9Å; R150-E154 WeakPolarHBondContact O-CG 3.37Å; R150-E154 PolarHBondContact O-N 3.44Å; Q151-E154 PolarHBondContact O-N 3.06Å; E154-P156 VanDerWaalsContact C-CD 3.49Å; E154-P156 VanDerWaalsContact O-CD 3.26Å; E154-P156 WeakPolarHBondContact O-CD 3.34Å
155H97.8Very high97Very high64 Ų6453.8 Ų53.830%0.29626%0.262SS..SBendtrans-118.770.5-175.1-68.9-87.1000112F112 Q151 V153 E158F112-H155 HydrophobicContact CE2-CB 4.02Å; F112-H155 HydrophobicContact CZ-CB 4.13Å; Q151-H155 WeakPolarHBondContact O-CB 3.12Å; Q151-H155 PolarHBondContact O-CD2 2.7Å; Q151-H155 PolarHBondContact O-N 3.44Å; V153-H155 VanDerWaalsContact C-N 3.29Å; V153-H155 PolarHBondContact O-N 3.17Å; H155-E158 HydrophobicContact CB-CB 4.09Å; H155-E158 HydrophobicContact CB-CG 4.05Å; H155-E158 IonicContact CE1-OE1 2.73Å; H155-E158 IonicContact CG-OE1 3.9Å; H155-E158 IonicContact ND1-OE1 3.37Å; H155-E158 PolarHBondContact ND1-OE1 2.83Å; H155-E158 WeakPolarHBondContact O-CB 3.42Å; H155-E158 PolarHBondContact O-N 2.9Å
156P97.4Very high97.1Very high47 Ų4749.8 Ų49.831%0.30524%0.236SC..THydrogen-bonded Turntrans-60.1142-179.126.8-35000111.5E154 E158 A180E154-P156 VanDerWaalsContact C-CD 3.49Å; E154-P156 VanDerWaalsContact O-CD 3.26Å; E154-P156 WeakPolarHBondContact O-CD 3.34Å; P156-E158 PolarHBondContact O-N 2.89Å; P156-E158 VanDerWaalsContact O-N 3.13Å; P156-A180 HydrophobicContact CB-CB 3.67Å
157Y96.6Very high97.2Very high61 Ų6141.6 Ų41.624%0.23920%0.197CC..THydrogen-bonded Turntrans66.13.8179.4-45.2-54.3000115.7R75 Q77 K160 D178 Y179 A180R75-Y157 VanDerWaalsContact CD-CE1 3.4Å; R75-Y157 HydrophobicContact CG-CD1 4.04Å; R75-Y157 HydrophobicContact CG-CE1 3.4Å; R75-Y157 VanDerWaalsContact CG-CE1 3.4Å; Q77-Y157 PolarHBondContact NE2-OH 3.01Å; Y157-K160 VanDerWaalsContact O-CE 3.27Å; Y157-K160 WeakPolarHBondContact O-CE 3.25Å; Y157-D178 HydrophobicContact CD1-CB 4.19Å; Y157-D178 WeakPolarHBondContact CD1-OD1 3.5Å; Y157-Y179 WeakPolarHBondContact CA-O 3.22Å; Y157-Y179 PolarHBondContact N-O 3.15Å; Y157-A180 HydrophobicContact CD1-CB 4.09Å; Y157-A180 HydrophobicContact CE1-CB 3.55Å
158E97.5Very high97.1Very high76 Ų7640 Ų4036%0.35519%0.189SC..  trans-83.8-15.5168.5-63.1-164.2-136.900112.7F112 Q113 H155 P156F112-E158 HydrophobicContact CD2-CB 4.32Å; F112-E158 HydrophobicContact CE2-CB 3.99Å; Q113-E158 HydrophobicContact CG-CB 4.21Å; Q113-E158 WeakPolarHBondContact CG-OE2 3.42Å; Q113-E158 PolarHBondContact N-O 2.81Å; Q113-E158 PolarHBondContact NE2-OE2 2.77Å; H155-E158 HydrophobicContact CB-CB 4.09Å; H155-E158 HydrophobicContact CB-CG 4.05Å; H155-E158 IonicContact CE1-OE1 2.73Å; H155-E158 IonicContact CG-OE1 3.9Å; H155-E158 IonicContact ND1-OE1 3.37Å; H155-E158 PolarHBondContact ND1-OE1 2.83Å; H155-E158 WeakPolarHBondContact O-CB 3.42Å; H155-E158 PolarHBondContact O-N 2.9Å; P156-E158 PolarHBondContact O-N 2.89Å; P156-E158 VanDerWaalsContact O-N 3.13Å
159T97.6Very high97.1Very high0 Ų041.5 Ų41.50%020%0.197CC..EExtended strand (participates in β ladder)trans-81.9127.8159.8-56.30000109.2Y111 F112 L117 M152 D178 Y179 Y181Y111-T159 CarbonylContact O-C 3.55Å; Y111-T159 VanDerWaalsContact O-CA 3.23Å; Y111-T159 WeakPolarHBondContact O-CA 3.15Å; Y111-T159 WeakPolarHBondContact O-CG2 3.31Å; F112-T159 VanDerWaalsContact CD2-OG1 3.29Å; F112-T159 WeakPolarHBondContact CD2-OG1 3.49Å; L117-T159 HydrophobicContact CD1-CG2 4.21Å; M152-T159 HydrophobicContact CE-CG2 4.06Å; M152-T159 WeakPolarHBondContact CE-OG1 3.49Å; T159-D178 WeakPolarHBondContact O-CA 3.37Å; T159-Y179 HydrophobicContact CG2-CD2 3.85Å; T159-Y179 HydrophobicContact CG2-CG 4.28Å; T159-Y179 WeakPolarHBondContact O-CD2 3.43Å; T159-Y179 PolarHBondContact O-N 2.93Å; T159-Y181 HydrophobicContact CG2-CE2 4.08Å; T159-Y181 WeakPolarHBondContact CG2-OH 3.46Å
160K97.1Very high97Very high96 Ų9646.1 Ų46.142%0.41722%0.216SC..EExtended strand (participates in β ladder)trans-137.5155.5-176.7-60.2-175.7-178.6-177.20110.9H110 Y111 Y157 A177 D178H110-K160 CarbonylContact C-O 3.59Å; H110-K160 WeakPolarHBondContact CA-O 3.06Å; Y111-K160 PolarHBondContact N-O 2.87Å; Y111-K160 PolarHBondContact O-N 3.06Å; Y157-K160 VanDerWaalsContact O-CE 3.27Å; Y157-K160 WeakPolarHBondContact O-CE 3.25Å; K160-A177 CarbonylContact C-O 3.58Å; K160-A177 VanDerWaalsContact CA-O 3.26Å; K160-A177 WeakPolarHBondContact CA-O 3.28Å; K160-D178 HydrophobicContact CG-CB 4.26Å
161S96.7Very high96.9Very high1 Ų141 Ų411%0.00720%0.198CC..EExtended strand (participates in β ladder)trans-135151.2170.669.90000113.1R109 K176 A177 Y179R109-S161 CarbonylContact O-C 3.44Å; R109-S161 WeakPolarHBondContact O-CA 3.33Å; R109-S161 VanDerWaalsContact O-CB 3.26Å; R109-S161 WeakPolarHBondContact O-CB 3.3Å; S161-K176 WeakPolarHBondContact O-CA 3.47Å; S161-A177 PolarHBondContact N-O 3.15Å; S161-A177 PolarHBondContact O-N 3.09Å; S161-Y179 WeakPolarHBondContact CB-OH 3.48Å; S161-Y179 WeakPolarHBondContact OG-CE2 3.26Å; S161-Y179 PolarHBondContact OG-OH 3.18Å
162D97.1Very high96.8Very high0 Ų038.1 Ų38.10%018%0.184CC..EExtended strand (participates in β ladder)trans-114.5126.7165.6-66.9-59.6000108.7C14 V15 E108 R109 F164 H174 K176C14-D162 WeakPolarHBondContact CA-OD2 3.45Å; V15-D162 PolarHBondContact N-OD2 3.44Å; V15-D162 VanDerWaalsContact N-OD2 3.16Å; E108-D162 WeakPolarHBondContact CA-O 3.16Å; R109-D162 PolarHBondContact N-O 3.37Å; R109-D162 PolarHBondContact O-N 3.35Å; D162-F164 HydrophobicContact CB-CD2 4.28Å; D162-F164 HydrophobicContact CB-CE1 4.08Å; D162-F164 HydrophobicContact CB-CE2 3.39Å; D162-F164 HydrophobicContact CB-CZ 3.29Å; D162-H174 IonicContact OD1-CE1 2.72Å; D162-H174 IonicContact OD1-NE2 3.72Å; D162-H174 PolarHBondContact OD1-NE2 3.3Å; D162-H174 VanDerWaalsContact OD1-NE2 3.08Å; D162-K176 IonicContact OD1-NZ 2.65Å; D162-K176 PolarHBondContact OD1-NZ 3.26Å
163S96.6Very high96.7Very high8 Ų839 Ų396%0.05619%0.188CC..EExtended strand (participates in β ladder)trans-112.8111.3176.6-47.50000108.7E108 Y165 H174 N175E108-S163 WeakPolarHBondContact CG-OG 3.26Å; E108-S163 PolarHBondContact OE2-OG 3.4Å; S163-Y165 WeakPolarHBondContact O-CE2 3.41Å; S163-H174 WeakPolarHBondContact O-CA 3.27Å; S163-N175 PolarHBondContact N-O 3.19Å; S163-N175 PolarHBondContact O-N 3.04Å
164F96.9Very high96.6Very high0 Ų037.3 Ų37.30%018%0.178CC..EExtended strand (participates in β ladder)trans-105.9125.5-175.5-54.1-79.8000110.1I8 L19 M106 I107 D162 F166 L171 H174I8-F164 HydrophobicContact CD1-CD1 3.93Å; I8-F164 HydrophobicContact CD1-CE1 3.91Å; I8-F164 HydrophobicContact CD1-CG 4.32Å; I8-F164 HydrophobicContact CD1-CZ 4.27Å; I8-F164 HydrophobicContact CG1-CB 4.49Å; I8-F164 HydrophobicContact CG1-CD1 4.21Å; I8-F164 HydrophobicContact CG1-CD2 4.4Å; I8-F164 HydrophobicContact CG1-CG 4.11Å; I8-F164 HydrophobicContact CG2-CD2 3.47Å; I8-F164 VanDerWaalsContact CG2-CD2 3.47Å; I8-F164 HydrophobicContact CG2-CE2 3.58Å; I8-F164 HydrophobicContact CG2-CG 4.03Å; I8-F164 HydrophobicContact CG2-CZ 4.22Å; L19-F164 HydrophobicContact CD1-CD1 4.34Å; L19-F164 HydrophobicContact CD1-CE1 3.59Å; L19-F164 HydrophobicContact CD1-CZ 4.33Å; L19-F164 HydrophobicContact CG-CE1 4.27Å; M106-F164 CarbonylContact C-O 3.58Å; M106-F164 WeakPolarHBondContact CA-O 3.22Å; I107-F164 PolarHBondContact N-O 3.08Å; I107-F164 WeakPolarHBondContact O-CD2 3.37Å; I107-F164 PolarHBondContact O-N 3.17Å; D162-F164 HydrophobicContact CB-CD2 4.28Å; D162-F164 HydrophobicContact CB-CE1 4.08Å; D162-F164 HydrophobicContact CB-CE2 3.39Å; D162-F164 HydrophobicContact CB-CZ 3.29Å; F164-F166 HydrophobicContact CB-CD2 4.49Å; F164-F166 HydrophobicContact CB-CE2 3.52Å; F164-F166 HydrophobicContact CB-CZ 3.86Å; F164-L171 HydrophobicContact CB-CD1 3.83Å; F164-L171 HydrophobicContact CD1-CD1 4.15Å; F164-L171 HydrophobicContact CG-CD1 4.49Å; F164-H174 HydrophobicContact CD1-CB 4.5Å; F164-H174 AromaticContact CD1-CD2 3.46Å; F164-H174 VanDerWaalsContact CD1-CD2 3.46Å; F164-H174 WeakPolarHBondContact CD1-CD2 3.47Å; F164-H174 AromaticContact CD1-CG 4Å; F164-H174 AromaticContact CD1-NE2 3.91Å; F164-H174 AromaticContact CE1-CD2 3.37Å; F164-H174 WeakPolarHBondContact CE1-CD2 3.37Å; F164-H174 AromaticContact CE1-CE1 3.91Å; F164-H174 AromaticContact CE1-NE2 3.29Å; F164-H174 VanDerWaalsContact CE1-NE2 3.29Å; F164-H174 WeakPolarHBondContact CE1-NE2 3.38Å; F164-H174 AromaticContact CZ-NE2 3.83Å
165Y97.1Very high96.5Very high18 Ų1833.3 Ų33.37%0.07116%0.161CC..EExtended strand (participates in β ladder)trans-112.6130.8-177-57.2-93.3000110.9F31 F104 R105 M106 F124 S163 L171 I172 M173 N175F31-Y165 HydrophobicContact CE2-CD1 4.07Å; F31-Y165 AromaticContact CE2-CE1 3.48Å; F31-Y165 HydrophobicContact CE2-CE1 3.48Å; F31-Y165 VanDerWaalsContact CE2-CE1 3.48Å; F31-Y165 HydrophobicContact CE2-CE2 4.15Å; F31-Y165 AromaticContact CE2-CZ 3.51Å; F31-Y165 AromaticContact CZ-CD1 3.86Å; F31-Y165 HydrophobicContact CZ-CD1 3.86Å; F31-Y165 AromaticContact CZ-CE1 3.32Å; F31-Y165 HydrophobicContact CZ-CE1 3.32Å; F31-Y165 AromaticContact CZ-CZ 3.86Å; F104-Y165 HydrophobicContact CE2-CD1 4.3Å; F104-Y165 HydrophobicContact CZ-CD1 4.06Å; R105-Y165 WeakPolarHBondContact O-CA 2.99Å; M106-Y165 HydrophobicContact CB-CD1 3.99Å; M106-Y165 HydrophobicContact CB-CE1 4.02Å; M106-Y165 HydrophobicContact CG-CD1 3.99Å; M106-Y165 HydrophobicContact CG-CE1 3.68Å; M106-Y165 HydrophobicContact SD-CD1 4.25Å; M106-Y165 HydrophobicContact SD-CE1 3.36Å; M106-Y165 WeakPolarHBondContact SD-CE1 3.43Å; F124-Y165 HydrophobicContact CE2-CD1 4.2Å; F124-Y165 HydrophobicContact CE2-CE1 4.4Å; F124-Y165 HydrophobicContact CZ-CD1 4.29Å; F124-Y165 HydrophobicContact CZ-CE1 4.1Å; S163-Y165 WeakPolarHBondContact O-CE2 3.41Å; Y165-L171 WeakPolarHBondContact O-CA 3.32Å; Y165-I172 WeakPolarHBondContact O-CG1 3.45Å; Y165-I172 PolarHBondContact O-N 3.29Å; Y165-M173 HydrophobicContact CD1-CE 4.14Å; Y165-M173 HydrophobicContact CD2-CB 3.96Å; Y165-M173 HydrophobicContact CD2-CE 3.75Å; Y165-M173 HydrophobicContact CD2-CG 3.84Å; Y165-M173 HydrophobicContact CD2-SD 4.45Å; Y165-M173 HydrophobicContact CE2-CE 4.13Å; Y165-M173 HydrophobicContact CE2-CG 4.34Å; Y165-M173 HydrophobicContact CG-CB 4.33Å; Y165-M173 HydrophobicContact CG-CE 3.75Å; Y165-M173 PolarHBondContact N-O 2.87Å; Y165-N175 HydrophobicContact CE2-CB 4.13Å; Y165-N175 WeakPolarHBondContact CE2-ND2 3.44Å
166F97.6Very high96.4Very high1 Ų131.4 Ų31.40%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-123.5140-174.1-58.9-93.5000111.4T5 I8 F104 R105 I107 F164 K170 L171T5-F166 HydrophobicContact CG2-CB 4.44Å; T5-F166 HydrophobicContact CG2-CD1 3.92Å; T5-F166 HydrophobicContact CG2-CD2 3.84Å; T5-F166 HydrophobicContact CG2-CE1 4.1Å; T5-F166 HydrophobicContact CG2-CE2 4Å; T5-F166 HydrophobicContact CG2-CG 3.79Å; T5-F166 HydrophobicContact CG2-CZ 4.12Å; I8-F166 HydrophobicContact CB-CZ 4.37Å; I8-F166 HydrophobicContact CG1-CE1 4.38Å; I8-F166 HydrophobicContact CG1-CZ 3.61Å; F104-F166 WeakPolarHBondContact CA-O 3.45Å; F104-F166 WeakPolarHBondContact CD2-O 3.28Å; R105-F166 PolarHBondContact N-O 2.82Å; R105-F166 PolarHBondContact O-N 2.94Å; I107-F166 HydrophobicContact CB-CE2 4.28Å; I107-F166 HydrophobicContact CD1-CE2 3.99Å; I107-F166 HydrophobicContact CG1-CE2 4.19Å; F164-F166 HydrophobicContact CB-CD2 4.49Å; F164-F166 HydrophobicContact CB-CE2 3.52Å; F164-F166 HydrophobicContact CB-CZ 3.86Å; F166-K170 VanDerWaalsContact CA-O 3.26Å; F166-K170 WeakPolarHBondContact CA-O 3.48Å; F166-L171 HydrophobicContact CD1-CB 4.18Å; F166-L171 HydrophobicContact CE1-CB 3.87Å; F166-L171 HydrophobicContact CE1-CD1 4.05Å; F166-L171 HydrophobicContact CE2-CD1 4.44Å; F166-L171 HydrophobicContact CZ-CD1 4Å
167V96.9Very high96.3Very high1 Ų129.5 Ų29.51%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-124.1130.4164.6-179.40000107.1Y27 I101 N102 F104 N169 K170 I172Y27-V167 HydrophobicContact CD1-CG1 4.45Å; Y27-V167 HydrophobicContact CD2-CB 4.19Å; Y27-V167 HydrophobicContact CD2-CG1 4.32Å; Y27-V167 HydrophobicContact CD2-CG2 4.02Å; Y27-V167 HydrophobicContact CE1-CG1 3.84Å; Y27-V167 HydrophobicContact CE2-CB 3.71Å; Y27-V167 HydrophobicContact CE2-CG1 3.71Å; Y27-V167 HydrophobicContact CE2-CG2 4.08Å; Y27-V167 HydrophobicContact CG-CG2 4.49Å; Y27-V167 VanDerWaalsContact CZ-CG1 3.42Å; I101-V167 HydrophobicContact CG2-CB 4.35Å; I101-V167 HydrophobicContact CG2-CG1 3.78Å; I101-V167 HydrophobicContact CG2-CG2 3.65Å; N102-V167 WeakPolarHBondContact O-CG1 3.49Å; F104-V167 HydrophobicContact CD2-CG2 3.79Å; F104-V167 HydrophobicContact CE2-CG2 4.31Å; V167-N169 PolarHBondContact O-N 3.44Å; V167-N169 VanDerWaalsContact O-N 3.13Å; V167-K170 PolarHBondContact N-O 3.42Å; V167-K170 PolarHBondContact O-N 3.29Å; V167-I172 HydrophobicContact CB-CG2 4.24Å; V167-I172 HydrophobicContact CG2-CD1 3.66Å; V167-I172 HydrophobicContact CG2-CG1 4.05Å; V167-I172 HydrophobicContact CG2-CG2 4.3Å
168D95.1Very high96.3Very high76 Ų7627 Ų2741%0.40613%0.13SC..THydrogen-bonded Turntrans47.343-174.5-68-46.5000113.1N102 K170N102-D168 VanDerWaalsContact CB-OD1 3.31Å; N102-D168 WeakPolarHBondContact CB-OD1 3.38Å; N102-D168 PolarHBondContact O-N 3.33Å; N102-D168 VanDerWaalsContact O-N 3.15Å; D168-K170 PolarHBondContact O-N 2.63Å
169N94.7Very high96.3Very high70 Ų7024 Ų2437%0.37412%0.116SC..THydrogen-bonded Turntrans6021.4-178.9-166.231.8000114.8T4 T5 V167T4-N169 WeakPolarHBondContact CA-O 3.24Å; T4-N169 WeakPolarHBondContact CG2-O 3.38Å; T5-N169 WeakPolarHBondContact CB-OD1 3.17Å; T5-N169 VanDerWaalsContact CG2-OD1 3.28Å; T5-N169 WeakPolarHBondContact CG2-OD1 3.41Å; T5-N169 PolarHBondContact N-OD1 3.05Å; T5-N169 PolarHBondContact OG1-OD1 2.99Å; V167-N169 PolarHBondContact O-N 3.44Å; V167-N169 VanDerWaalsContact O-N 3.13Å
170K95.7Very high96.3Very high119 Ų11924 Ų2452%0.51712%0.116SC..EExtended strand (participates in β ladder)trans-111.8129.4172.6-64.8174.4-175.1169.30109.6F166 V167 D168 I172F166-K170 VanDerWaalsContact CA-O 3.26Å; F166-K170 WeakPolarHBondContact CA-O 3.48Å; V167-K170 PolarHBondContact N-O 3.42Å; V167-K170 PolarHBondContact O-N 3.29Å; D168-K170 PolarHBondContact O-N 2.63Å; K170-I172 PolarHBondContact O-N 3.3Å
171L96.1Very high96.3Very high9 Ų919.9 Ų19.95%0.04710%0.098CC..EExtended strand (participates in β ladder)trans-62.5122.4175-176.570.9000109.5L3 L19 C20 F164 Y165 F166 M173L3-L171 HydrophobicContact CB-CB 4.06Å; L3-L171 HydrophobicContact CB-CD2 4.15Å; L3-L171 HydrophobicContact CD1-CD2 3.95Å; L3-L171 PolarHBondContact O-N 2.91Å; L19-L171 HydrophobicContact CB-CD2 3.67Å; C20-L171 HydrophobicContact CB-CD2 3.89Å; C20-L171 HydrophobicContact CB-CG 4.09Å; F164-L171 HydrophobicContact CB-CD1 3.83Å; F164-L171 HydrophobicContact CD1-CD1 4.15Å; F164-L171 HydrophobicContact CG-CD1 4.49Å; Y165-L171 WeakPolarHBondContact O-CA 3.32Å; F166-L171 HydrophobicContact CD1-CB 4.18Å; F166-L171 HydrophobicContact CE1-CB 3.87Å; F166-L171 HydrophobicContact CE1-CD1 4.05Å; F166-L171 HydrophobicContact CE2-CD1 4.44Å; F166-L171 HydrophobicContact CZ-CD1 4Å; L171-M173 VanDerWaalsContact CD1-O 3.31Å; L171-M173 WeakPolarHBondContact CD1-O 3.49Å
172I95.6Very high96.2Very high7 Ų721.5 Ų21.54%0.03611%0.107CC..EExtended strand (participates in β ladder)trans-113.7-26.6178.160.6145.6000112.8D24 N25 Y27 V29 F104 Y165 V167 K170D24-I172 CarbonylContact C-O 3.52Å; N25-I172 PolarHBondContact N-O 2.59Å; Y27-I172 HydrophobicContact CD2-CD1 4.29Å; Y27-I172 HydrophobicContact CD2-CG2 4.02Å; Y27-I172 HydrophobicContact CE2-CG2 3.92Å; V29-I172 HydrophobicContact CG2-CD1 3.99Å; F104-I172 HydrophobicContact CE2-CD1 4.25Å; Y165-I172 WeakPolarHBondContact O-CG1 3.45Å; Y165-I172 PolarHBondContact O-N 3.29Å; V167-I172 HydrophobicContact CB-CG2 4.24Å; V167-I172 HydrophobicContact CG2-CD1 3.66Å; V167-I172 HydrophobicContact CG2-CG1 4.05Å; V167-I172 HydrophobicContact CG2-CG2 4.3Å; K170-I172 PolarHBondContact O-N 3.3Å
173M95.6Very high95.9Very high20 Ų2023.6 Ų23.610%0.09913%0.128CC..EExtended strand (participates in β ladder)trans-149.8147.4-177.2176.8171.447.600109.5C20 V29 F31 Y165 L171C20-M173 WeakPolarHBondContact SG-CA 3.41Å; V29-M173 HydrophobicContact CB-CE 4.43Å; V29-M173 HydrophobicContact CG1-CE 3.95Å; F31-M173 HydrophobicContact CD2-CE 3.89Å; F31-M173 HydrophobicContact CD2-SD 4.35Å; F31-M173 HydrophobicContact CE2-CE 3.22Å; F31-M173 HydrophobicContact CE2-SD 4.17Å; F31-M173 HydrophobicContact CZ-CE 4Å; Y165-M173 HydrophobicContact CD1-CE 4.14Å; Y165-M173 HydrophobicContact CD2-CB 3.96Å; Y165-M173 HydrophobicContact CD2-CE 3.75Å; Y165-M173 HydrophobicContact CD2-CG 3.84Å; Y165-M173 HydrophobicContact CD2-SD 4.45Å; Y165-M173 HydrophobicContact CE2-CE 4.13Å; Y165-M173 HydrophobicContact CE2-CG 4.34Å; Y165-M173 HydrophobicContact CG-CB 4.33Å; Y165-M173 HydrophobicContact CG-CE 3.75Å; Y165-M173 PolarHBondContact N-O 2.87Å; L171-M173 VanDerWaalsContact CD1-O 3.31Å; L171-M173 WeakPolarHBondContact CD1-O 3.49Å
174H95.4Very high95.2Very high0 Ų025.4 Ų25.40%015%0.148CC..EExtended strand (participates in β ladder)trans-142.3115.5179.1174.6-144000107.9V15 Y18 L19 C20 D162 S163 F164V15-H174 VanDerWaalsContact CG2-CE1 3.48Å; V15-H174 WeakPolarHBondContact CG2-CE1 3.16Å; Y18-H174 WeakPolarHBondContact CA-ND1 3.34Å; Y18-H174 HydrophobicContact CD1-CB 4.35Å; Y18-H174 AromaticContact CD1-ND1 3.57Å; Y18-H174 WeakPolarHBondContact CD1-O 3.31Å; Y18-H174 VanDerWaalsContact CE1-O 3.29Å; Y18-H174 WeakPolarHBondContact CE1-O 3.4Å; L19-H174 PolarHBondContact N-ND1 3.3Å; L19-H174 VanDerWaalsContact N-ND1 3.13Å; C20-H174 PolarHBondContact SG-N 3.08Å; C20-H174 VanDerWaalsContact SG-N 3.44Å; D162-H174 IonicContact OD1-CE1 2.72Å; D162-H174 IonicContact OD1-NE2 3.72Å; D162-H174 PolarHBondContact OD1-NE2 3.3Å; D162-H174 VanDerWaalsContact OD1-NE2 3.08Å; S163-H174 WeakPolarHBondContact O-CA 3.27Å; F164-H174 HydrophobicContact CD1-CB 4.5Å; F164-H174 AromaticContact CD1-CD2 3.46Å; F164-H174 VanDerWaalsContact CD1-CD2 3.46Å; F164-H174 WeakPolarHBondContact CD1-CD2 3.47Å; F164-H174 AromaticContact CD1-CG 4Å; F164-H174 AromaticContact CD1-NE2 3.91Å; F164-H174 AromaticContact CE1-CD2 3.37Å; F164-H174 WeakPolarHBondContact CE1-CD2 3.37Å; F164-H174 AromaticContact CE1-CE1 3.91Å; F164-H174 AromaticContact CE1-NE2 3.29Å; F164-H174 VanDerWaalsContact CE1-NE2 3.29Å; F164-H174 WeakPolarHBondContact CE1-NE2 3.38Å; F164-H174 AromaticContact CZ-NE2 3.83Å
175N95Very high93.2Very high26 Ų2635.2 Ų35.214%0.13920%0.199CC..EExtended strand (participates in β ladder)trans-110.7153.8177.3-64.1-16.9000109.4R72 S163 Y165R72-N175 CarbonylContact O-C 3.56Å; R72-N175 WeakPolarHBondContact O-CA 3.46Å; S163-N175 PolarHBondContact N-O 3.19Å; S163-N175 PolarHBondContact O-N 3.04Å; Y165-N175 HydrophobicContact CE2-CB 4.13Å; Y165-N175 WeakPolarHBondContact CE2-ND2 3.44Å
176K95.8Very high93Very high23 Ų2336.1 Ų36.110%0.121%0.206CC..EExtended strand (participates in β ladder)trans-126.7152.2-178.5-72178.8172.1-64.70110V15 Y18 R72 F73 V74 S161 D162V15-K176 PolarHBondContact O-NZ 3.3Å; Y18-K176 HydrophobicContact CD1-CD 4.25Å; Y18-K176 HydrophobicContact CD1-CG 4.42Å; Y18-K176 HydrophobicContact CE1-CB 4.32Å; Y18-K176 HydrophobicContact CE1-CD 3.76Å; Y18-K176 HydrophobicContact CE1-CG 3.81Å; Y18-K176 HydrophobicContact CE2-CD 4.34Å; R72-K176 PolarHBondContact O-N 3.05Å; F73-K176 VanDerWaalsContact CA-O 3.28Å; F73-K176 WeakPolarHBondContact CA-O 3.46Å; F73-K176 HydrophobicContact CD2-CB 3.75Å; F73-K176 HydrophobicContact CE2-CB 4.31Å; V74-K176 PolarHBondContact N-O 3.03Å; S161-K176 WeakPolarHBondContact O-CA 3.47Å; D162-K176 IonicContact OD1-NZ 2.65Å; D162-K176 PolarHBondContact OD1-NZ 3.26Å
177A95.8Very high92.8Very high7 Ų737.9 Ų37.96%0.05822%0.216CC..EExtended strand (participates in β ladder)trans-147.1156.5170.200000112.5V74 Y76 K160 S161 Y179V74-A177 HydrophobicContact CB-CB 4.47Å; V74-A177 WeakPolarHBondContact O-CA 3.41Å; V74-A177 WeakPolarHBondContact O-CB 3.26Å; Y76-A177 HydrophobicContact CD2-CB 3.9Å; Y76-A177 HydrophobicContact CE2-CB 3.67Å; K160-A177 CarbonylContact C-O 3.58Å; K160-A177 VanDerWaalsContact CA-O 3.26Å; K160-A177 WeakPolarHBondContact CA-O 3.28Å; S161-A177 PolarHBondContact N-O 3.15Å; S161-A177 PolarHBondContact O-N 3.09Å; A177-Y179 HydrophobicContact CB-CE2 4.01Å
178D96.9Very high92.6Very high8 Ų840 Ų404%0.04323%0.228CC..EExtended strand (participates in β ladder)trans-124.4157164.367.712.2000111.2F73 V74 R75 Y76 Y157 T159 K160F73-D178 HydrophobicContact CZ-CB 4.06Å; F73-D178 VanDerWaalsContact CZ-CG 3.46Å; F73-D178 WeakPolarHBondContact CZ-OD2 3.31Å; V74-D178 PolarHBondContact O-N 2.8Å; V74-D178 VanDerWaalsContact O-N 3.16Å; R75-D178 WeakPolarHBondContact CA-OD1 3.49Å; R75-D178 VanDerWaalsContact CB-OD1 3.31Å; R75-D178 WeakPolarHBondContact CB-OD1 3.36Å; R75-D178 WeakPolarHBondContact CG-OD1 3.5Å; R75-D178 IonicContact CZ-OD1 3.49Å; R75-D178 IonicContact CZ-OD2 3.78Å; R75-D178 IonicContact NE-OD1 2.79Å; R75-D178 PolarHBondContact NE-OD1 2.98Å; R75-D178 IonicContact NE-OD2 3.6Å; R75-D178 PolarHBondContact NE-OD2 3.45Å; R75-D178 IonicContact NH2-OD1 2.56Å; R75-D178 IonicContact NH2-OD2 3.76Å; R75-D178 PolarHBondContact NH2-OD2 3.2Å; Y76-D178 PolarHBondContact N-O 2.99Å; Y157-D178 HydrophobicContact CD1-CB 4.19Å; Y157-D178 WeakPolarHBondContact CD1-OD1 3.5Å; T159-D178 WeakPolarHBondContact O-CA 3.37Å; K160-D178 HydrophobicContact CG-CB 4.26Å
179Y97.4Very high92.4Very high15 Ų1537.9 Ų37.96%0.05922%0.218CC..EExtended strand (participates in β ladder)trans-132.3132.5-169.1-52.6-98.1000110.5Y76 F78 H110 Y157 T159 S161 A177 Y181Y76-Y179 AromaticContact CD2-CD1 3.72Å; Y76-Y179 HydrophobicContact CD2-CD1 3.72Å; Y76-Y179 AromaticContact CD2-CE1 3.35Å; Y76-Y179 HydrophobicContact CD2-CE1 3.35Å; Y76-Y179 AromaticContact CD2-CZ 3.95Å; Y76-Y179 AromaticContact CE2-CE1 3.91Å; Y76-Y179 HydrophobicContact CE2-CE1 3.91Å; Y76-Y179 AromaticContact CG-CD1 4Å; Y76-Y179 HydrophobicContact CG-CD1 4Å; Y76-Y179 AromaticContact CG-CE1 3.97Å; Y76-Y179 HydrophobicContact CG-CE1 3.97Å; F78-Y179 HydrophobicContact CD2-CD1 4.33Å; F78-Y179 HydrophobicContact CE2-CD1 4.03Å; F78-Y179 HydrophobicContact CE2-CE1 4.44Å; H110-Y179 AromaticContact CE1-CZ 3.52Å; H110-Y179 PolarHBondContact CE1-OH 3.12Å; H110-Y179 AromaticContact ND1-CE2 3.89Å; H110-Y179 AromaticContact ND1-CZ 3.84Å; Y157-Y179 WeakPolarHBondContact CA-O 3.22Å; Y157-Y179 PolarHBondContact N-O 3.15Å; T159-Y179 HydrophobicContact CG2-CD2 3.85Å; T159-Y179 HydrophobicContact CG2-CG 4.28Å; T159-Y179 WeakPolarHBondContact O-CD2 3.43Å; T159-Y179 PolarHBondContact O-N 2.93Å; S161-Y179 WeakPolarHBondContact CB-OH 3.48Å; S161-Y179 WeakPolarHBondContact OG-CE2 3.26Å; S161-Y179 PolarHBondContact OG-OH 3.18Å; A177-Y179 HydrophobicContact CB-CE2 4.01Å; Y179-Y181 WeakPolarHBondContact CB-OH 3.32Å
180A97.7Very high92.3Very high0 Ų035.9 Ų35.90%021%0.208CC..EExtended strand (participates in β ladder)trans-111.8141.8163.300000109.6Y76 F78 P156 Y157Y76-A180 PolarHBondContact O-N 3.16Å; F78-A180 PolarHBondContact N-O 2.73Å; P156-A180 HydrophobicContact CB-CB 3.67Å; Y157-A180 HydrophobicContact CD1-CB 4.09Å; Y157-A180 HydrophobicContact CE1-CB 3.55Å
181Y97Very high92.1Very high9 Ų930.3 Ų30.34%0.03519%0.187CC..  trans-118.812.5179.7-55-76.6000112.6F78 T79 P80 F82 L83 M152 T159 Y179 G183F78-Y181 HydrophobicContact CB-CD1 3.9Å; F78-Y181 HydrophobicContact CB-CE1 4.35Å; F78-Y181 HydrophobicContact CD2-CD1 4.48Å; F78-Y181 HydrophobicContact CD2-CE1 4.1Å; F78-Y181 CarbonylContact O-C 3.14Å; F78-Y181 VanDerWaalsContact O-CA 3.22Å; F78-Y181 WeakPolarHBondContact O-CA 3.36Å; T79-Y181 CarbonylContact C-O 3.25Å; T79-Y181 VanDerWaalsContact C-O 3.25Å; P80-Y181 WeakPolarHBondContact CA-O 3.44Å; P80-Y181 WeakPolarHBondContact CD-O 3.47Å; P80-Y181 WeakPolarHBondContact CG-O 3.31Å; F82-Y181 HydrophobicContact CB-CD1 4.49Å; F82-Y181 HydrophobicContact CD1-CD1 4.33Å; F82-Y181 AromaticContact CD1-CE1 3.85Å; F82-Y181 HydrophobicContact CD1-CE1 3.85Å; F82-Y181 HydrophobicContact CE1-CE1 4.41Å; L83-Y181 HydrophobicContact CD1-CD1 4.17Å; L83-Y181 HydrophobicContact CD1-CD2 3.96Å; L83-Y181 HydrophobicContact CD1-CG 3.73Å; L83-Y181 HydrophobicContact CD2-CD1 3.78Å; L83-Y181 HydrophobicContact CD2-CD2 4.16Å; L83-Y181 HydrophobicContact CD2-CE1 3.6Å; L83-Y181 HydrophobicContact CD2-CE2 3.98Å; L83-Y181 HydrophobicContact CD2-CG 4.05Å; L83-Y181 HydrophobicContact CG-CD1 3.75Å; L83-Y181 HydrophobicContact CG-CD2 4.33Å; L83-Y181 HydrophobicContact CG-CE1 4.11Å; L83-Y181 HydrophobicContact CG-CG 3.87Å; M152-Y181 HydrophobicContact CB-CD2 4.09Å; M152-Y181 HydrophobicContact CB-CE2 4.39Å; M152-Y181 HydrophobicContact CE-CD2 4.34Å; M152-Y181 HydrophobicContact CE-CE2 3.62Å; T159-Y181 HydrophobicContact CG2-CE2 4.08Å; T159-Y181 WeakPolarHBondContact CG2-OH 3.46Å; Y179-Y181 WeakPolarHBondContact CB-OH 3.32Å; Y181-G183 VanDerWaalsContact C-N 3.31Å; Y181-G183 PolarHBondContact O-N 2.91Å
182N95Very high91.8Very high35 Ų3531.9 Ų31.919%0.18720%0.197CC..SBendtrans-87.34.4-175.769.3-11.8000113.7V153 G184 L185V153-N182 HydrophobicContact CG1-CB 4.41Å; N182-G184 VanDerWaalsContact C-N 3.26Å; N182-G184 PolarHBondContact O-N 3.13Å; N182-G184 PolarHBondContact OD1-N 2.99Å; N182-G184 VanDerWaalsContact OD1-N 3.1Å; N182-L185 PolarHBondContact ND2-O 2.68Å
183G90.1Very high91.5Very high43 Ų4333.8 Ų33.844%0.44321%0.21SC..THydrogen-bonded Turntrans71.216.8-178.600000114.6F78 Y181F78-G183 WeakPolarHBondContact O-CA 3.43Å; F78-G183 PolarHBondContact O-N 3.18Å; Y181-G183 VanDerWaalsContact C-N 3.31Å; Y181-G183 PolarHBondContact O-N 2.91Å
184G80.7Confident91.1Very high47 Ų4734.9 Ų34.949%0.48522%0.219SC..THydrogen-bonded Turntrans81.816.5179.900000114.7N182N182-G184 VanDerWaalsContact C-N 3.26Å; N182-G184 PolarHBondContact O-N 3.13Å; N182-G184 PolarHBondContact OD1-N 2.99Å; N182-G184 VanDerWaalsContact OD1-N 3.1Å
185L56.8Low90.7Very high206 Ų20638.1 Ų38.1100%1.07924%0.239SC*.  trans-77.70171.7-71.2166.7000112.9N182N182-L185 PolarHBondContact ND2-O 2.68Å

Retrieved 185 of 185 residues in 388.5 ms (Link to these results)

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