A0A087WZ07_HUMAN Loading...

Tubulin polyglutamylase complex subunit 2

AlphaFold DB , UniProt , Accession A0A087WZ07, Species HUMAN (Homo sapiens, Human), Gene TPGS2, Length 162 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
1K53.4Low75.5Confident244 Ų24482.8 Ų82.8100%1.06141%0.414SS*.  0118.50-103.7-178.3174.2-179.60106.6N3K1-N3 PolarHBondContact O-N 3.37Å
2N64Low75.8Confident109 Ų10982.7 Ų82.758%0.58342%0.416SS*.  trans-8211.7-167.2-61-16.4000114.4C4 F47N2-C4 PolarHBondContact O-N 3.21Å; N2-F47 HydrophobicContact CB-CZ 4.22Å
3N70.9Confident76Confident130 Ų13078.2 Ų78.270%0.69539%0.392SS*.SBendtrans47.530.9179.5-71.1-9.5000115.4K1K1-N3 PolarHBondContact O-N 3.37Å
4C72.1Confident75.9Confident36 Ų3677.6 Ų77.624%0.24338%0.383CS..BIsolated β-bridgetrans-134.1153.617765.90000110.4N2 Y62 A68N2-C4 PolarHBondContact O-N 3.21Å; C4-Y62 HydrophobicContact CB-CD1 4.2Å; C4-Y62 HydrophobicContact CB-CE1 3.92Å; C4-Y62 HydrophobicContact CB-CE2 4.42Å; C4-A68 HydrophobicContact CB-CB 4.03Å
5V79.9Confident75.8Confident87 Ų8781.4 Ų81.453%0.52741%0.405SS..PPolyproline II helixtrans-97.2128.8173.7-177.50000108.4Y62 A68 A70V5-Y62 WeakPolarHBondContact O-CE1 3.33Å; V5-Y62 PolarHBondContact O-OH 3.43Å; V5-A68 PolarHBondContact N-O 3.27Å; V5-A70 HydrophobicContact CG1-CB 4.33Å
6M81.1Confident75.2Confident82 Ų8286.8 Ų86.840%0.40443%0.431SS..PPolyproline II helixtrans-62.9129.3174.8-179.5175.6-76.600109.3V10 K11 M22 Y62M6-V10 HydrophobicContact CG-CB 4.15Å; M6-V10 HydrophobicContact CG-CG1 4.07Å; M6-V10 HydrophobicContact SD-CG1 4.06Å; M6-K11 HydrophobicContact CG-CB 4.28Å; M6-K11 HydrophobicContact SD-CB 3.96Å; M6-M22 HydrophobicContact CE-CE 4.33Å; M6-Y62 WeakPolarHBondContact CA-OH 3.32Å
7P81.9Confident74Confident4 Ų486.4 Ų86.43%0.02644%0.435CS..PPolyproline II helixtrans-60.8142.7175.621.4-31000111.4D9 V10 K11 L60 Y62 A70 T73P7-D9 WeakPolarHBondContact CB-OD1 3.2Å; P7-D9 PolarHBondContact O-N 2.8Å; P7-V10 HydrophobicContact CG-CB 4.15Å; P7-V10 HydrophobicContact CG-CG2 3.7Å; P7-V10 PolarHBondContact O-N 3.31Å; P7-K11 PolarHBondContact O-N 2.81Å; P7-K11 VanDerWaalsContact O-N 3.09Å; P7-L60 HydrophobicContact CG-CD1 4.33Å; P7-L60 HydrophobicContact CG-CD2 4.16Å; P7-Y62 WeakPolarHBondContact CD-OH 3.47Å; P7-A70 HydrophobicContact CB-CB 4.44Å; P7-T73 HydrophobicContact CB-CG2 4.47Å; P7-T73 HydrophobicContact CG-CG2 4.02Å
8E82.3Confident73Confident101 Ų10191.4 Ų91.447%0.47246%0.463SS..Hα-helixtrans-64.8-30.3-167.9-17164.3-17100111.7K11 N12E8-K11 PolarHBondContact O-N 3Å; E8-K11 IonicContact OE1-NZ 2.7Å; E8-K11 PolarHBondContact OE1-NZ 2.92Å; E8-K11 VanDerWaalsContact OE1-NZ 3.08Å; E8-K11 VanDerWaalsContact OE2-CD 3.29Å; E8-K11 WeakPolarHBondContact OE2-CD 3.21Å; E8-K11 IonicContact OE2-NZ 3.15Å; E8-K11 PolarHBondContact OE2-NZ 3Å; E8-N12 VanDerWaalsContact O-CB 3.32Å; E8-N12 WeakPolarHBondContact O-CB 2.91Å; E8-N12 PolarHBondContact O-N 3.38Å; E8-N12 PolarHBondContact O-ND2 3.47Å; E8-N12 VanDerWaalsContact O-ND2 3.17Å
9D81.5Confident72.2Confident31 Ų3187.9 Ų87.917%0.16645%0.453CS..Hα-helixtrans-70.1-39.7176.960.5-9.5000113.5P7 K11 N12 F13 F91 T92P7-D9 WeakPolarHBondContact CB-OD1 3.2Å; P7-D9 PolarHBondContact O-N 2.8Å; D9-K11 VanDerWaalsContact C-N 3.35Å; D9-N12 PolarHBondContact O-N 2.82Å; D9-F13 WeakPolarHBondContact O-CB 3.05Å; D9-F13 PolarHBondContact O-N 3.31Å; D9-F91 WeakPolarHBondContact OD2-CA 3.45Å; D9-F91 WeakPolarHBondContact OD2-CB 3.5Å; D9-F91 PolarHBondContact OD2-N 2.89Å; D9-T92 WeakPolarHBondContact CB-OG1 3.4Å; D9-T92 PolarHBondContact OD2-N 2.99Å; D9-T92 PolarHBondContact OD2-OG1 2.7Å
10V80.8Confident71.5Confident0 Ų086.6 Ų86.60%044%0.443CS..Hα-helixtrans-61.6-46.1171.3176.20000110.2M6 P7 N12 F13 Y14 F91M6-V10 HydrophobicContact CG-CB 4.15Å; M6-V10 HydrophobicContact CG-CG1 4.07Å; M6-V10 HydrophobicContact SD-CG1 4.06Å; P7-V10 HydrophobicContact CG-CB 4.15Å; P7-V10 HydrophobicContact CG-CG2 3.7Å; P7-V10 PolarHBondContact O-N 3.31Å; V10-N12 PolarHBondContact O-N 3.38Å; V10-F13 WeakPolarHBondContact O-CB 3.37Å; V10-F13 PolarHBondContact O-N 2.99Å; V10-Y14 HydrophobicContact CG1-CD2 3.79Å; V10-Y14 HydrophobicContact CG1-CE2 3.56Å; V10-Y14 WeakPolarHBondContact O-CD2 3.07Å; V10-Y14 PolarHBondContact O-N 3.25Å; V10-Y14 VanDerWaalsContact O-N 3.12Å; V10-F91 HydrophobicContact CB-CG 4.49Å; V10-F91 HydrophobicContact CG2-CB 3.42Å; V10-F91 VanDerWaalsContact CG2-CB 3.42Å; V10-F91 HydrophobicContact CG2-CD1 3.98Å; V10-F91 HydrophobicContact CG2-CD2 3.83Å; V10-F91 HydrophobicContact CG2-CG 3.47Å; V10-F91 VanDerWaalsContact CG2-CG 3.47Å
11K82.4Confident70.4Confident87 Ų8790.3 Ų90.338%0.37846%0.459SS..Hα-helixtrans-61.3-45.4178179.7-167167.4-155.40111.7M6 P7 E8 D9 F13 Y14 L15M6-K11 HydrophobicContact CG-CB 4.28Å; M6-K11 HydrophobicContact SD-CB 3.96Å; P7-K11 PolarHBondContact O-N 2.81Å; P7-K11 VanDerWaalsContact O-N 3.09Å; E8-K11 PolarHBondContact O-N 3Å; E8-K11 IonicContact OE1-NZ 2.7Å; E8-K11 PolarHBondContact OE1-NZ 2.92Å; E8-K11 VanDerWaalsContact OE1-NZ 3.08Å; E8-K11 VanDerWaalsContact OE2-CD 3.29Å; E8-K11 WeakPolarHBondContact OE2-CD 3.21Å; E8-K11 IonicContact OE2-NZ 3.15Å; E8-K11 PolarHBondContact OE2-NZ 3Å; D9-K11 VanDerWaalsContact C-N 3.35Å; K11-F13 VanDerWaalsContact C-N 3.3Å; K11-F13 PolarHBondContact O-N 2.84Å; K11-Y14 PolarHBondContact O-N 3.45Å; K11-L15 HydrophobicContact CG-CD1 4.25Å; K11-L15 WeakPolarHBondContact O-CG 3.36Å; K11-L15 PolarHBondContact O-N 2.85Å; K11-L15 VanDerWaalsContact O-N 3.08Å
12N79.8Confident70.1Confident81 Ų8181.4 Ų81.443%0.43342%0.421SS..Hα-helixtrans-61.2-39.8177.1-74.9-25000111.8E8 D9 V10 L15 M16E8-N12 VanDerWaalsContact O-CB 3.32Å; E8-N12 WeakPolarHBondContact O-CB 2.91Å; E8-N12 PolarHBondContact O-N 3.38Å; E8-N12 PolarHBondContact O-ND2 3.47Å; E8-N12 VanDerWaalsContact O-ND2 3.17Å; D9-N12 PolarHBondContact O-N 2.82Å; V10-N12 PolarHBondContact O-N 3.38Å; N12-L15 PolarHBondContact O-N 2.99Å; N12-M16 WeakPolarHBondContact O-CB 3.28Å; N12-M16 PolarHBondContact O-N 2.72Å; N12-M16 VanDerWaalsContact O-N 3.09Å
13F77.6Confident69.1Low24 Ų2479.3 Ų79.311%0.10541%0.412CS..Hα-helixtrans-59.6-48.3175.3175.7-97.9000112.3D9 V10 K11 L15 M16 T17 F20 F91 Y95D9-F13 WeakPolarHBondContact O-CB 3.05Å; D9-F13 PolarHBondContact O-N 3.31Å; V10-F13 WeakPolarHBondContact O-CB 3.37Å; V10-F13 PolarHBondContact O-N 2.99Å; K11-F13 VanDerWaalsContact C-N 3.3Å; K11-F13 PolarHBondContact O-N 2.84Å; F13-L15 VanDerWaalsContact C-N 3.27Å; F13-L15 PolarHBondContact O-N 2.9Å; F13-M16 PolarHBondContact O-N 2.81Å; F13-M16 VanDerWaalsContact O-N 3.14Å; F13-T17 PolarHBondContact O-N 2.8Å; F13-T17 VanDerWaalsContact O-N 3.15Å; F13-F20 HydrophobicContact CD1-CD2 4.2Å; F13-F20 HydrophobicContact CD1-CE2 4.48Å; F13-F20 AromaticContact CE1-CD2 3.3Å; F13-F20 HydrophobicContact CE1-CD2 3.3Å; F13-F20 AromaticContact CE1-CE2 3.55Å; F13-F20 HydrophobicContact CE1-CE2 3.55Å; F13-F20 HydrophobicContact CE1-CG 4.28Å; F13-F20 HydrophobicContact CE2-CE2 4.28Å; F13-F20 AromaticContact CZ-CD2 3.69Å; F13-F20 HydrophobicContact CZ-CD2 3.69Å; F13-F20 AromaticContact CZ-CE2 3.42Å; F13-F20 HydrophobicContact CZ-CE2 3.42Å; F13-F20 VanDerWaalsContact CZ-CE2 3.42Å; F13-F20 HydrophobicContact CZ-CZ 4.26Å; F13-F91 HydrophobicContact CB-CD1 4.47Å; F13-F91 HydrophobicContact CB-CE1 3.6Å; F13-F91 HydrophobicContact CB-CZ 4.23Å; F13-F91 HydrophobicContact CD1-CE1 4.09Å; F13-F91 AromaticContact CD1-CZ 3.83Å; F13-F91 HydrophobicContact CD1-CZ 3.83Å; F13-F91 HydrophobicContact CD2-CE1 4.02Å; F13-F91 HydrophobicContact CD2-CZ 4.24Å; F13-F91 HydrophobicContact CE1-CZ 4.25Å; F13-F91 AromaticContact CG-CE1 3.62Å; F13-F91 HydrophobicContact CG-CE1 3.62Å; F13-F91 AromaticContact CG-CZ 3.82Å; F13-F91 HydrophobicContact CG-CZ 3.82Å; F13-Y95 HydrophobicContact CD2-CD2 4.49Å; F13-Y95 HydrophobicContact CD2-CE2 4.29Å; F13-Y95 HydrophobicContact CE2-CD2 4Å; F13-Y95 HydrophobicContact CE2-CE1 4.32Å; F13-Y95 AromaticContact CE2-CE2 3.46Å; F13-Y95 HydrophobicContact CE2-CE2 3.46Å; F13-Y95 VanDerWaalsContact CE2-CE2 3.46Å; F13-Y95 AromaticContact CE2-CZ 3.65Å; F13-Y95 HydrophobicContact CZ-CE2 4.05Å
14Y74.4Confident67.6Low70 Ų7083 Ų8328%0.27542%0.417SS..Hα-helixtrans-65.4-26.8177.7-79-69000113.9V10 K11 F20 M22V10-Y14 HydrophobicContact CG1-CD2 3.79Å; V10-Y14 HydrophobicContact CG1-CE2 3.56Å; V10-Y14 WeakPolarHBondContact O-CD2 3.07Å; V10-Y14 PolarHBondContact O-N 3.25Å; V10-Y14 VanDerWaalsContact O-N 3.12Å; K11-Y14 PolarHBondContact O-N 3.45Å; Y14-F20 WeakPolarHBondContact CE1-O 3.15Å; Y14-F20 PolarHBondContact OH-O 3.17Å; Y14-M22 HydrophobicContact CE2-SD 4.16Å; Y14-M22 PolarHBondContact OH-SD 3.38Å
15L74.3Confident66.1Low135 Ų13584.7 Ų84.771%0.70743%0.429SS*.Hα-helixtrans-79.1-22.5174.8-70.2172000113K11 N12 F13K11-L15 HydrophobicContact CG-CD1 4.25Å; K11-L15 WeakPolarHBondContact O-CG 3.36Å; K11-L15 PolarHBondContact O-N 2.85Å; K11-L15 VanDerWaalsContact O-N 3.08Å; N12-L15 PolarHBondContact O-N 2.99Å; F13-L15 VanDerWaalsContact C-N 3.27Å; F13-L15 PolarHBondContact O-N 2.9Å
16M66.7Low64.2Low167 Ų16786.1 Ų86.182%0.82344%0.437SS*.Hα-helixtrans-98.3-22.5-172.9-164.4-176.2-144.600113.8N12 F13N12-M16 WeakPolarHBondContact O-CB 3.28Å; N12-M16 PolarHBondContact O-N 2.72Å; N12-M16 VanDerWaalsContact O-N 3.09Å; F13-M16 PolarHBondContact O-N 2.81Å; F13-M16 VanDerWaalsContact O-N 3.14Å
17T55Low62.2Low80 Ų8089.7 Ų89.749%0.49145%0.451SS..SBendtrans-148.7163-174.7-61.50000110.2F13 G19F13-T17 PolarHBondContact O-N 2.8Å; F13-T17 VanDerWaalsContact O-N 3.15Å; T17-G19 PolarHBondContact O-N 3.49Å
18N56.5Low60.2Low178 Ų17895.3 Ų95.395%0.95248%0.48SS*.SBendtrans-60.717.9178.1-97.3-2.8000116.5
19G56.6Low58.2Low25 Ų2596.6 Ų96.626%0.25849%0.49SS..  trans68.1174.8164.500000117.1T17T17-G19 PolarHBondContact O-N 3.49Å
20F58.8Low56.3Low60 Ų6099.5 Ų99.526%0.26352%0.518SS..  trans-95.6153.6162.3-73.2-76.9000109.7F13 Y14 M22 F91 Y95 L98F13-F20 HydrophobicContact CD1-CD2 4.2Å; F13-F20 HydrophobicContact CD1-CE2 4.48Å; F13-F20 AromaticContact CE1-CD2 3.3Å; F13-F20 HydrophobicContact CE1-CD2 3.3Å; F13-F20 AromaticContact CE1-CE2 3.55Å; F13-F20 HydrophobicContact CE1-CE2 3.55Å; F13-F20 HydrophobicContact CE1-CG 4.28Å; F13-F20 HydrophobicContact CE2-CE2 4.28Å; F13-F20 AromaticContact CZ-CD2 3.69Å; F13-F20 HydrophobicContact CZ-CD2 3.69Å; F13-F20 AromaticContact CZ-CE2 3.42Å; F13-F20 HydrophobicContact CZ-CE2 3.42Å; F13-F20 VanDerWaalsContact CZ-CE2 3.42Å; F13-F20 HydrophobicContact CZ-CZ 4.26Å; Y14-F20 WeakPolarHBondContact CE1-O 3.15Å; Y14-F20 PolarHBondContact OH-O 3.17Å; F20-M22 PolarHBondContact O-N 3.22Å; F20-M22 VanDerWaalsContact O-N 3.13Å; F20-F91 HydrophobicContact CD2-CE2 4.42Å; F20-F91 HydrophobicContact CD2-CZ 4.23Å; F20-F91 HydrophobicContact CE2-CE2 4.31Å; F20-F91 AromaticContact CE2-CZ 4Å; F20-F91 HydrophobicContact CE2-CZ 4Å; F20-Y95 HydrophobicContact CE2-CD2 4.27Å; F20-Y95 HydrophobicContact CE2-CE2 4.35Å; F20-Y95 HydrophobicContact CZ-CD2 4.45Å; F20-Y95 HydrophobicContact CZ-CE2 4.35Å; F20-L98 HydrophobicContact CE1-CD2 4.48Å; F20-L98 HydrophobicContact CZ-CD2 3.83Å
21H48.3Very low54.4Low166 Ų166104 Ų10477%0.76955%0.549SS*.  trans-8094170.2-167.6-70.9000109.7T23H21-T23 PolarHBondContact ND1-OG1 3.38Å; H21-T23 PolarHBondContact O-N 2.97Å
22M47.7Very low52.7Low57 Ų57106 Ų10628%0.28156%0.564SS.*  trans-74.1119.5179.3-131.2163.371.600110.3M6 Y14 F20 F47 E48 L49M6-M22 HydrophobicContact CE-CE 4.33Å; Y14-M22 HydrophobicContact CE2-SD 4.16Å; Y14-M22 PolarHBondContact OH-SD 3.38Å; F20-M22 PolarHBondContact O-N 3.22Å; F20-M22 VanDerWaalsContact O-N 3.13Å; M22-F47 HydrophobicContact CE-CD1 4.42Å; M22-E48 WeakPolarHBondContact CG-O 3.19Å; M22-L49 HydrophobicContact CG-CD2 4.44Å; M22-L49 HydrophobicContact SD-CD2 4.3Å
23T42.2Very low51.2Low64 Ų64108.1 Ų108.139%0.39358%0.576SS.*BIsolated β-bridgetrans-111.9130.8179.4-46.90000109.1H21 E48H21-T23 PolarHBondContact ND1-OG1 3.38Å; H21-T23 PolarHBondContact O-N 2.97Å; T23-E48 WeakPolarHBondContact O-CB 3.33Å
24W39.4Very low49.4Very low209 Ų209114.3 Ų114.379%0.79261%0.605SS**  trans-92.1134-17955.378.1000111
25S40.8Very low48.5Very low70 Ų70117.3 Ų117.349%0.4963%0.633SS.*  trans-140.5123.2165.756.70000109
26V39.6Very low48.2Very low117 Ų117118.2 Ų118.271%0.70963%0.634SS**  trans-113.5121.4-179.6-179.50000107.3L28V26-L28 HydrophobicContact CG1-CD2 4.17Å; V26-L28 HydrophobicContact CG1-CG 4Å
27K39.4Very low48.5Very low157 Ų157116.2 Ų116.268%0.68362%0.62SS**  trans-113.7134.3164.9-87.9-176.5172.6-176.10107.6
28L40Very low49.7Very low123 Ų123112.7 Ų112.764%0.64460%0.599SS**  trans-122.7109.8-179-66.5169.5000107.1V26V26-L28 HydrophobicContact CG1-CD2 4.17Å; V26-L28 HydrophobicContact CG1-CG 4Å
29D40.1Very low50.6Low128 Ų128107.5 Ų107.568%0.68457%0.569SS**  trans-136.2140.8161.3-73.9-50.2000108.2F40 D41D29-F40 PolarHBondContact N-O 3.39Å; D29-D41 WeakPolarHBondContact O-CA 3.36Å; D29-D41 WeakPolarHBondContact O-CB 3.43Å
30A41.1Very low51.4Low92 Ų92109.9 Ų109.976%0.7657%0.572SS**  trans-105.2124.9-170.700000112.2
31S40.9Very low52Low93 Ų93107.4 Ų107.465%0.6556%0.562SS**  trans-165.3146.2158.754.60000111.2R43S31-R43 PolarHBondContact O-NH2 3.44Å
32D47.8Very low52.8Low129 Ų129104.1 Ų104.169%0.6956%0.557SS**  trans-96.1165.2-168.4-153.87.5000114.8R43D32-R43 IonicContact OD1-NH1 2.72Å; D32-R43 PolarHBondContact OD1-NH1 2.68Å
33D47.6Very low53.8Low126 Ų126104.3 Ų104.367%0.67456%0.555SS**  trans80.5135.9168.5-78.5-33.2000122.8R43D33-R43 VanDerWaalsContact N-NH1 3.18Å
34Q39.9Very low55.3Low154 Ų154102.5 Ų102.572%0.7255%0.545SS*.  trans90.1123.4-176.7-59.6-165.4-8.700118.2E36Q34-E36 PolarHBondContact O-N 3.13Å
35P55.4Low57.4Low133 Ų13395 Ų9586%0.86452%0.522SS*.  trans-9186170.935-27.2000109.9
36E68.3Low59.7Low155 Ų15593.2 Ų93.272%0.72451%0.507SS*.SBendtrans-156.6118.5163.7-107.5-177.5-172.600108.7Q34Q34-E36 PolarHBondContact O-N 3.13Å
37K74.1Confident62Low124 Ų12488.6 Ų88.654%0.53948%0.477SS..SBendtrans74.9146.5-176.8-53.8176.5-177.7177.10116H39 W76 W84K37-H39 PolarHBondContact O-CE1 3.45Å; K37-H39 PolarHBondContact O-ND1 3.08Å; K37-W76 HydrophobicContact CB-CH2 4.42Å; K37-W76 HydrophobicContact CB-CZ3 4.37Å; K37-W76 HydrophobicContact CG-CH2 4.11Å; K37-W76 HydrophobicContact CG-CZ3 4.02Å; K37-W84 HydrophobicContact CB-CB 4.18Å; K37-W84 HydrophobicContact CD-CB 4.42Å
38P80.1Confident64.4Low7 Ų782.2 Ų82.25%0.04545%0.45CS..  trans-57.7143.6176.8-21.932000111.9V61 W76 W84P38-V61 HydrophobicContact CB-CG1 3.83Å; P38-V61 HydrophobicContact CB-CG2 4.12Å; P38-V61 HydrophobicContact CG-CB 4.31Å; P38-V61 HydrophobicContact CG-CG1 3.93Å; P38-V61 HydrophobicContact CG-CG2 3.87Å; P38-W76 HydrophobicContact CG-CB 4.34Å; P38-W76 HydrophobicContact CG-CD2 3.54Å; P38-W76 HydrophobicContact CG-CE3 4.1Å; P38-W76 HydrophobicContact CG-CG 3.64Å; P38-W76 HydrophobicContact CG-CZ2 4.29Å; P38-W84 HydrophobicContact CB-CD2 3.93Å; P38-W84 HydrophobicContact CB-CE3 4.36Å; P38-W84 HydrophobicContact CB-CG 4.32Å; P38-W84 HydrophobicContact CB-CH2 4.39Å; P38-W84 HydrophobicContact CB-CZ2 3.97Å; P38-W84 HydrophobicContact CG-CD2 3.92Å; P38-W84 HydrophobicContact CG-CE3 4.09Å; P38-W84 HydrophobicContact CG-CG 4.18Å; P38-W84 PolarHBondContact O-NE1 3.19Å
39H73.7Confident66.8Low68 Ų6876.7 Ų76.732%0.31542%0.421SS..  trans-116.5149.7175.7-74.254.6000109.9K37 D41 R43 S44K37-H39 PolarHBondContact O-CE1 3.45Å; K37-H39 PolarHBondContact O-ND1 3.08Å; H39-D41 HydrophobicContact CB-CB 4.49Å; H39-D41 WeakPolarHBondContact CB-OD2 3.49Å; H39-D41 IonicContact CD2-OD2 2.87Å; H39-D41 IonicContact CG-OD2 3.84Å; H39-D41 PolarHBondContact O-N 3.38Å; H39-R43 PolarHBondContact CD2-NH2 2.97Å; H39-S44 WeakPolarHBondContact O-CB 3.49Å
40F74.6Confident69.1Low76 Ų7673 Ų7333%0.33340%0.401SS..SBendtrans-80.740.5174.9-63.1-74.1000112.2D29 I46 L78 W84D29-F40 PolarHBondContact N-O 3.39Å; F40-I46 HydrophobicContact CD1-CD1 4.27Å; F40-I46 HydrophobicContact CE1-CD1 4.49Å; F40-L78 HydrophobicContact CE1-CD2 4.15Å; F40-L78 HydrophobicContact CE2-CD1 4.44Å; F40-L78 HydrophobicContact CZ-CD1 3.89Å; F40-L78 HydrophobicContact CZ-CD2 3.65Å; F40-L78 HydrophobicContact CZ-CG 4.44Å; F40-W84 HydrophobicContact CD1-CZ2 4.35Å; F40-W84 HydrophobicContact CE1-CH2 4.24Å; F40-W84 AromaticContact CE1-CZ2 3.6Å; F40-W84 HydrophobicContact CE1-CZ2 3.6Å; F40-W84 HydrophobicContact CE2-CZ2 4.08Å; F40-W84 AromaticContact CE2-NE1 3.97Å; F40-W84 AromaticContact CZ-CE2 3.98Å; F40-W84 HydrophobicContact CZ-CH2 4.27Å; F40-W84 AromaticContact CZ-CZ2 3.44Å; F40-W84 HydrophobicContact CZ-CZ2 3.44Å; F40-W84 VanDerWaalsContact CZ-CZ2 3.44Å
41D70.2Confident71.4Confident8 Ų871.5 Ų71.54%0.04339%0.385CS..SBendtrans-119.5178.5-177.466.334.6000111D29 H39 R43 S44D29-D41 WeakPolarHBondContact O-CA 3.36Å; D29-D41 WeakPolarHBondContact O-CB 3.43Å; H39-D41 HydrophobicContact CB-CB 4.49Å; H39-D41 WeakPolarHBondContact CB-OD2 3.49Å; H39-D41 IonicContact CD2-OD2 2.87Å; H39-D41 IonicContact CG-OD2 3.84Å; H39-D41 PolarHBondContact O-N 3.38Å; D41-R43 PolarHBondContact O-N 3.05Å; D41-R43 WeakPolarHBondContact OD1-CA 3.32Å; D41-R43 WeakPolarHBondContact OD1-CB 3.34Å; D41-R43 VanDerWaalsContact OD1-CG 3.28Å; D41-R43 WeakPolarHBondContact OD1-CG 3.22Å; D41-R43 PolarHBondContact OD1-N 2.82Å; D41-R43 IonicContact OD1-NE 2.8Å; D41-R43 PolarHBondContact OD1-NE 2.9Å; D41-R43 IonicContact OD2-CZ 2.97Å; D41-R43 IonicContact OD2-NE 3.47Å; D41-R43 PolarHBondContact OD2-NE 3.3Å; D41-R43 IonicContact OD2-NH2 3.08Å; D41-R43 PolarHBondContact OD2-NH2 3Å; D41-S44 PolarHBondContact O-N 3.04Å
42S65.9Low73.6Confident96 Ų9667.7 Ų67.767%0.67136%0.358SS*.THydrogen-bonded Turntrans-64.5-5.4-178.949.60000115
43R69.3Low75.4Confident62 Ų6269.4 Ų69.423%0.23437%0.368CS..THydrogen-bonded Turntrans-85-20.1179.5-51.7178.4-74-179.42.8111.7S31 D32 D33 H39 D41 S64S31-R43 PolarHBondContact O-NH2 3.44Å; D32-R43 IonicContact OD1-NH1 2.72Å; D32-R43 PolarHBondContact OD1-NH1 2.68Å; D33-R43 VanDerWaalsContact N-NH1 3.18Å; H39-R43 PolarHBondContact CD2-NH2 2.97Å; D41-R43 PolarHBondContact O-N 3.05Å; D41-R43 WeakPolarHBondContact OD1-CA 3.32Å; D41-R43 WeakPolarHBondContact OD1-CB 3.34Å; D41-R43 VanDerWaalsContact OD1-CG 3.28Å; D41-R43 WeakPolarHBondContact OD1-CG 3.22Å; D41-R43 PolarHBondContact OD1-N 2.82Å; D41-R43 IonicContact OD1-NE 2.8Å; D41-R43 PolarHBondContact OD1-NE 2.9Å; D41-R43 IonicContact OD2-CZ 2.97Å; D41-R43 IonicContact OD2-NE 3.47Å; D41-R43 PolarHBondContact OD2-NE 3.3Å; D41-R43 IonicContact OD2-NH2 3.08Å; D41-R43 PolarHBondContact OD2-NH2 3Å; R43-S64 WeakPolarHBondContact O-CA 3.34Å; R43-S64 WeakPolarHBondContact O-CB 3.19Å; R43-S64 PolarHBondContact O-N 3.29Å
44S73.8Confident77.2Confident25 Ų2566.1 Ų66.118%0.17536%0.363CS..  trans-119.4127.4179.6-60.20000111.6H39 D41H39-S44 WeakPolarHBondContact O-CB 3.49Å; D41-S44 PolarHBondContact O-N 3.04Å
45V83.4Confident79.5Confident53 Ų5359.3 Ų59.332%0.32133%0.333SS..EExtended strand (participates in β ladder)trans-95.1120.6167.5-172.80000107.6F47 V61 Y62V45-F47 HydrophobicContact CB-CE2 4.44Å; V45-F47 HydrophobicContact CG1-CD2 4.28Å; V45-F47 HydrophobicContact CG1-CE2 3.41Å; V45-F47 VanDerWaalsContact CG1-CE2 3.41Å; V45-F47 HydrophobicContact CG1-CZ 3.63Å; V45-V61 WeakPolarHBondContact O-CA 3.43Å; V45-Y62 HydrophobicContact CB-CD2 4.23Å; V45-Y62 HydrophobicContact CB-CG 4.45Å; V45-Y62 PolarHBondContact O-N 3.49Å
46I87.5Confident81.2Confident31 Ų3153.4 Ų53.416%0.15930%0.296CS..EExtended strand (participates in β ladder)trans-121.2129.8-170.6-54.6174.7000109.3F40 C59 L60 V61 W84F40-I46 HydrophobicContact CD1-CD1 4.27Å; F40-I46 HydrophobicContact CE1-CD1 4.49Å; I46-C59 HydrophobicContact CG2-CB 3.67Å; I46-L60 CarbonylContact C-O 3.58Å; I46-L60 WeakPolarHBondContact CA-O 3.07Å; I46-V61 HydrophobicContact CG1-CG1 4.32Å; I46-V61 HydrophobicContact CG1-CG2 4.3Å; I46-V61 HydrophobicContact CG2-CG2 4.31Å; I46-W84 HydrophobicContact CD1-CH2 4.03Å; I46-W84 HydrophobicContact CD1-CZ2 3.9Å; I46-W84 HydrophobicContact CG2-CH2 4.18Å
47F88.3Confident82.4Confident21 Ų2149.7 Ų49.79%0.09228%0.277CS..EExtended strand (participates in β ladder)trans-120.6130.1175.5-62.3-83.3000110.3N2 M22 V45 L49 C59 L60 Y62N2-F47 HydrophobicContact CB-CZ 4.22Å; M22-F47 HydrophobicContact CE-CD1 4.42Å; V45-F47 HydrophobicContact CB-CE2 4.44Å; V45-F47 HydrophobicContact CG1-CD2 4.28Å; V45-F47 HydrophobicContact CG1-CE2 3.41Å; V45-F47 VanDerWaalsContact CG1-CE2 3.41Å; V45-F47 HydrophobicContact CG1-CZ 3.63Å; F47-L49 PolarHBondContact O-N 2.81Å; F47-C59 CarbonylContact O-C 3.47Å; F47-C59 WeakPolarHBondContact O-CA 3.47Å; F47-L60 HydrophobicContact CB-CB 4.27Å; F47-L60 HydrophobicContact CD2-CD2 4.41Å; F47-L60 PolarHBondContact N-O 3.42Å; F47-L60 PolarHBondContact O-N 2.78Å; F47-Y62 AromaticContact CD2-CD2 3.99Å; F47-Y62 HydrophobicContact CD2-CD2 3.99Å; F47-Y62 AromaticContact CD2-CE2 3.6Å; F47-Y62 HydrophobicContact CD2-CE2 3.6Å; F47-Y62 AromaticContact CE2-CD2 3.77Å; F47-Y62 HydrophobicContact CE2-CD2 3.77Å; F47-Y62 AromaticContact CE2-CE2 3.38Å; F47-Y62 HydrophobicContact CE2-CE2 3.38Å
48E91Very high83.4Confident23 Ų2343.8 Ų43.811%0.10725%0.252CS..EExtended strand (participates in β ladder)trans-76.4124.5174.6-168.8-178.8122.800109.9M22 T23 K57M22-E48 WeakPolarHBondContact CG-O 3.19Å; T23-E48 WeakPolarHBondContact O-CB 3.33Å; E48-K57 HydrophobicContact CG-CD 4.4Å; E48-K57 WeakPolarHBondContact OE2-CD 3.5Å; E48-K57 VanDerWaalsContact OE2-CE 3.32Å; E48-K57 WeakPolarHBondContact OE2-CE 2.9Å; E48-K57 IonicContact OE2-NZ 3.31Å; E48-K57 PolarHBondContact OE2-NZ 2.82Å
49L89.5Confident84Confident6 Ų643.7 Ų43.73%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-97-40.8175.6-63.2-177.7000111.9M22 F47 V58 L60 I75 F91 Y94M22-L49 HydrophobicContact CG-CD2 4.44Å; M22-L49 HydrophobicContact SD-CD2 4.3Å; F47-L49 PolarHBondContact O-N 2.81Å; L49-V58 HydrophobicContact CB-CG1 4.31Å; L49-V58 HydrophobicContact CD1-CG1 4.26Å; L49-V58 PolarHBondContact N-O 2.8Å; L49-L60 HydrophobicContact CD1-CB 4.06Å; L49-L60 HydrophobicContact CD2-CB 4.14Å; L49-L60 HydrophobicContact CG-CB 4.07Å; L49-I75 HydrophobicContact CD1-CD1 3.74Å; L49-F91 HydrophobicContact CD1-CD2 4.02Å; L49-F91 HydrophobicContact CD1-CE2 4.33Å; L49-Y94 HydrophobicContact CD1-CD1 4.47Å; L49-Y94 HydrophobicContact CD1-CE1 4.39Å
50D89.3Confident84.9Confident50 Ų5040.7 Ų40.727%0.26724%0.237SC..EExtended strand (participates in β ladder)trans-146.6139179-178.418.5000110.5C52 K57 V58D50-C52 VanDerWaalsContact C-N 3.34Å; D50-C52 PolarHBondContact OD1-N 2.8Å; D50-C52 PolarHBondContact OD2-SG 3.44Å; D50-K57 CarbonylContact O-C 3.54Å; D50-K57 VanDerWaalsContact O-CA 3.32Å; D50-K57 WeakPolarHBondContact O-CA 3.26Å; D50-V58 HydrophobicContact CB-CB 4.28Å; D50-V58 PolarHBondContact N-O 3.05Å; D50-V58 PolarHBondContact O-N 2.87Å
51S88.6Confident85.6Confident62 Ų6237.2 Ų37.243%0.43422%0.222SC..  trans-900.2176.961.90000113.2N53 G54 G56S51-N53 PolarHBondContact O-N 2.8Å; S51-G54 PolarHBondContact O-N 3.16Å; S51-G56 CarbonylContact C-O 3.28Å; S51-G56 VanDerWaalsContact C-O 3.28Å
52C87.9Confident86.3Confident13 Ų1337.1 Ų37.19%0.08822%0.221CC..G310 helixtrans45.135.9173.2-550000113.9D50 G54 S55 Q108D50-C52 VanDerWaalsContact C-N 3.34Å; D50-C52 PolarHBondContact OD1-N 2.8Å; D50-C52 PolarHBondContact OD2-SG 3.44Å; C52-G54 PolarHBondContact O-N 2.94Å; C52-G54 VanDerWaalsContact O-N 3.16Å; C52-S55 WeakPolarHBondContact CB-OG 3.42Å; C52-S55 WeakPolarHBondContact O-CB 3.29Å; C52-S55 PolarHBondContact O-N 2.9Å; C52-S55 PolarHBondContact O-OG 2.85Å; C52-Q108 PolarHBondContact SG-NE2 3.03Å; C52-Q108 VanDerWaalsContact SG-NE2 3.37Å
53N85.5Confident86.7Confident165 Ų16537.4 Ų37.488%0.88221%0.211SC*.G310 helixtrans48.739.1-176.8-157.340.7000114S51 S55S51-N53 PolarHBondContact O-N 2.8Å; N53-S55 VanDerWaalsContact C-N 3.34Å; N53-S55 PolarHBondContact O-N 3.35Å
54G85.6Confident86.7Confident56 Ų5639 Ų3958%0.57723%0.231SC*.G310 helixtrans822.7178.100000115.5S51 C52 G56 R80S51-G54 PolarHBondContact O-N 3.16Å; C52-G54 PolarHBondContact O-N 2.94Å; C52-G54 VanDerWaalsContact O-N 3.16Å; G54-G56 VanDerWaalsContact C-N 3.32Å; G54-R80 WeakPolarHBondContact O-CD 3.45Å
55S86.8Confident85.8Confident12 Ų1239.2 Ų39.28%0.08424%0.237CC..THydrogen-bonded Turntrans-82-9.5175.767.90000113.9C52 N53 Y109C52-S55 WeakPolarHBondContact CB-OG 3.42Å; C52-S55 WeakPolarHBondContact O-CB 3.29Å; C52-S55 PolarHBondContact O-N 2.9Å; C52-S55 PolarHBondContact O-OG 2.85Å; N53-S55 VanDerWaalsContact C-N 3.34Å; N53-S55 PolarHBondContact O-N 3.35Å; S55-Y109 WeakPolarHBondContact O-CE2 3.42Å; S55-Y109 PolarHBondContact O-OH 3.47Å
56G91.7Very high84.6Confident9 Ų946.2 Ų46.29%0.09326%0.263CS..EExtended strand (participates in β ladder)trans157.6-164.6-177.100000109.1S51 G54 L78S51-G56 CarbonylContact C-O 3.28Å; S51-G56 VanDerWaalsContact C-O 3.28Å; G54-G56 VanDerWaalsContact C-N 3.32Å; G56-L78 CarbonylContact C-O 3.43Å; G56-L78 WeakPolarHBondContact CA-O 3.46Å
57K94.4Very high83.2Confident77 Ų7749.3 Ų49.334%0.33529%0.285SS..EExtended strand (participates in β ladder)trans-138.1137.9175.2-60.2-177.4172.9-1530110.1E48 D50 F77 L78E48-K57 HydrophobicContact CG-CD 4.4Å; E48-K57 WeakPolarHBondContact OE2-CD 3.5Å; E48-K57 VanDerWaalsContact OE2-CE 3.32Å; E48-K57 WeakPolarHBondContact OE2-CE 2.9Å; E48-K57 IonicContact OE2-NZ 3.31Å; E48-K57 PolarHBondContact OE2-NZ 2.82Å; D50-K57 CarbonylContact O-C 3.54Å; D50-K57 VanDerWaalsContact O-CA 3.32Å; D50-K57 WeakPolarHBondContact O-CA 3.26Å; K57-F77 CarbonylContact O-C 3.5Å; K57-F77 WeakPolarHBondContact O-CA 3.34Å; K57-F77 WeakPolarHBondContact O-CD2 3.39Å; K57-L78 HydrophobicContact CB-CB 4.41Å; K57-L78 PolarHBondContact N-O 3.19Å; K57-L78 PolarHBondContact O-N 3.42Å
58V94Very high82.1Confident0 Ų048.7 Ų48.70%028%0.284CS..EExtended strand (participates in β ladder)trans-92.1130.1163.9178.80000108.3L49 D50 I75 W76 F77 L87 Y94 Q108L49-V58 HydrophobicContact CB-CG1 4.31Å; L49-V58 HydrophobicContact CD1-CG1 4.26Å; L49-V58 PolarHBondContact N-O 2.8Å; D50-V58 HydrophobicContact CB-CB 4.28Å; D50-V58 PolarHBondContact N-O 3.05Å; D50-V58 PolarHBondContact O-N 2.87Å; V58-I75 HydrophobicContact CG1-CG2 3.59Å; V58-W76 WeakPolarHBondContact CA-O 3.32Å; V58-F77 HydrophobicContact CG2-CD2 4.11Å; V58-L87 HydrophobicContact CG1-CD1 4.28Å; V58-L87 HydrophobicContact CG2-CD1 4.21Å; V58-Y94 HydrophobicContact CB-CE2 4.36Å; V58-Y94 HydrophobicContact CG1-CD2 4.22Å; V58-Y94 HydrophobicContact CG1-CE1 4.3Å; V58-Y94 HydrophobicContact CG1-CE2 3.61Å; V58-Y94 HydrophobicContact CG2-CE2 4.04Å; V58-Q108 HydrophobicContact CG2-CG 3.96Å
59C93.3Very high81Confident5 Ų552.4 Ų52.43%0.03430%0.304CS..EExtended strand (participates in β ladder)trans-126.6137.2-175.6-57.70000111.6I46 F47 V61 I75 W76 W84I46-C59 HydrophobicContact CG2-CB 3.67Å; F47-C59 CarbonylContact O-C 3.47Å; F47-C59 WeakPolarHBondContact O-CA 3.47Å; C59-V61 HydrophobicContact CB-CG2 4.28Å; C59-I75 WeakPolarHBondContact O-CA 3Å; C59-W76 PolarHBondContact N-O 3.27Å; C59-W76 PolarHBondContact O-N 3.34Å; C59-W84 HydrophobicContact CB-CH2 4.31Å; C59-W84 HydrophobicContact CB-CZ3 4.01Å
60L91.5Very high80Confident5 Ų553.5 Ų53.53%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-84.8120.9161.8176.973.8000108P7 I46 F47 L49 Y62 T73 E74 I75P7-L60 HydrophobicContact CG-CD1 4.33Å; P7-L60 HydrophobicContact CG-CD2 4.16Å; I46-L60 CarbonylContact C-O 3.58Å; I46-L60 WeakPolarHBondContact CA-O 3.07Å; F47-L60 HydrophobicContact CB-CB 4.27Å; F47-L60 HydrophobicContact CD2-CD2 4.41Å; F47-L60 PolarHBondContact N-O 3.42Å; F47-L60 PolarHBondContact O-N 2.78Å; L49-L60 HydrophobicContact CD1-CB 4.06Å; L49-L60 HydrophobicContact CD2-CB 4.14Å; L49-L60 HydrophobicContact CG-CB 4.07Å; L60-Y62 HydrophobicContact CD2-CE2 3.94Å; L60-Y62 HydrophobicContact CG-CE2 4.24Å; L60-T73 HydrophobicContact CD1-CG2 4.16Å; L60-E74 CarbonylContact C-O 3.51Å; L60-E74 WeakPolarHBondContact CA-O 3.37Å; L60-I75 HydrophobicContact CB-CD1 4.19Å; L60-I75 HydrophobicContact CD1-CD1 3.47Å; L60-I75 VanDerWaalsContact CD1-CD1 3.47Å; L60-I75 HydrophobicContact CG-CD1 4.46Å
61V90.1Very high79.1Confident2 Ų259.9 Ų59.91%0.01234%0.342CS..EExtended strand (participates in β ladder)trans-116.9127.8-176.6-177.50000109P38 V45 I46 C59 T73 E74 W76 W84P38-V61 HydrophobicContact CB-CG1 3.83Å; P38-V61 HydrophobicContact CB-CG2 4.12Å; P38-V61 HydrophobicContact CG-CB 4.31Å; P38-V61 HydrophobicContact CG-CG1 3.93Å; P38-V61 HydrophobicContact CG-CG2 3.87Å; V45-V61 WeakPolarHBondContact O-CA 3.43Å; I46-V61 HydrophobicContact CG1-CG1 4.32Å; I46-V61 HydrophobicContact CG1-CG2 4.3Å; I46-V61 HydrophobicContact CG2-CG2 4.31Å; C59-V61 HydrophobicContact CB-CG2 4.28Å; V61-T73 CarbonylContact O-C 3.52Å; V61-T73 WeakPolarHBondContact O-CA 3.17Å; V61-E74 PolarHBondContact N-O 3.14Å; V61-E74 PolarHBondContact O-N 2.97Å; V61-W76 HydrophobicContact CG2-CB 4.21Å; V61-W76 HydrophobicContact CG2-CG 4.17Å; V61-W84 HydrophobicContact CG2-CZ3 4.48Å
62Y85.4Confident78.6Confident7 Ų759.7 Ų59.73%0.02734%0.337CS..EExtended strand (participates in β ladder)trans-91.4126.5168-69.1-102.8000109.4C4 V5 M6 P7 V45 F47 L60 A68 D72 T73C4-Y62 HydrophobicContact CB-CD1 4.2Å; C4-Y62 HydrophobicContact CB-CE1 3.92Å; C4-Y62 HydrophobicContact CB-CE2 4.42Å; V5-Y62 WeakPolarHBondContact O-CE1 3.33Å; V5-Y62 PolarHBondContact O-OH 3.43Å; M6-Y62 WeakPolarHBondContact CA-OH 3.32Å; P7-Y62 WeakPolarHBondContact CD-OH 3.47Å; V45-Y62 HydrophobicContact CB-CD2 4.23Å; V45-Y62 HydrophobicContact CB-CG 4.45Å; V45-Y62 PolarHBondContact O-N 3.49Å; F47-Y62 AromaticContact CD2-CD2 3.99Å; F47-Y62 HydrophobicContact CD2-CD2 3.99Å; F47-Y62 AromaticContact CD2-CE2 3.6Å; F47-Y62 HydrophobicContact CD2-CE2 3.6Å; F47-Y62 AromaticContact CE2-CD2 3.77Å; F47-Y62 HydrophobicContact CE2-CD2 3.77Å; F47-Y62 AromaticContact CE2-CE2 3.38Å; F47-Y62 HydrophobicContact CE2-CE2 3.38Å; L60-Y62 HydrophobicContact CD2-CE2 3.94Å; L60-Y62 HydrophobicContact CG-CE2 4.24Å; Y62-A68 HydrophobicContact CD1-CB 3.78Å; Y62-A68 HydrophobicContact CG-CB 4.28Å; Y62-D72 WeakPolarHBondContact CA-O 3.49Å; Y62-T73 HydrophobicContact CD1-CG2 3.37Å; Y62-T73 HydrophobicContact CD2-CG2 4.08Å; Y62-T73 HydrophobicContact CE1-CG2 3.22Å; Y62-T73 HydrophobicContact CE2-CG2 3.92Å; Y62-T73 HydrophobicContact CG-CG2 3.84Å
63K74.9Confident78.6Confident102 Ų10259.7 Ų59.744%0.44334%0.336SS..  trans-69.5149.1170-66.9-173.9-176.91700110.3G65 D72 E74K63-G65 PolarHBondContact O-N 3.09Å; K63-D72 HydrophobicContact CB-CB 4.42Å; K63-D72 PolarHBondContact N-O 2.85Å; K63-E74 WeakPolarHBondContact CE-OE1 3.44Å; K63-E74 WeakPolarHBondContact CE-OE2 3.49Å; K63-E74 IonicContact NZ-OE1 3.87Å; K63-E74 PolarHBondContact NZ-OE1 3.43Å; K63-E74 IonicContact NZ-OE2 3.98Å
64S67.6Low78.9Confident95 Ų9553.1 Ų53.166%0.66430%0.3SS*.SBendtrans-65.2104.1-177.1-170.30000111.5R43R43-S64 WeakPolarHBondContact O-CA 3.34Å; R43-S64 WeakPolarHBondContact O-CB 3.19Å; R43-S64 PolarHBondContact O-N 3.29Å
65G56.4Low79.2Confident29 Ų2950.5 Ų50.530%0.29927%0.273SS..  trans-152.2133161.900000106.4K63 P67 A68K63-G65 PolarHBondContact O-N 3.09Å; G65-P67 CarbonylContact O-C 3.09Å; G65-A68 WeakPolarHBondContact O-CA 3.43Å; G65-A68 PolarHBondContact O-N 3.12Å
66K58.1Low79.5Confident201 Ų20151 Ų5187%0.87427%0.273SS*.SBendtrans-104.3130.2174.4-81.4-175.3-177.4170.40109.6
67P57.6Low79.7Confident96 Ų9650.6 Ų50.662%0.62327%0.269SS*.SBendcis-69.2144.1-10.529.2-32.2000111.3G65 L69G65-P67 CarbonylContact O-C 3.09Å; P67-L69 PolarHBondContact O-N 3.21Å
68A65.6Low79.6Confident8 Ų847.5 Ų47.57%0.06626%0.256CS..BIsolated β-bridgetrans-64.5107.318000000108.6C4 V5 Y62 G65C4-A68 HydrophobicContact CB-CB 4.03Å; V5-A68 PolarHBondContact N-O 3.27Å; Y62-A68 HydrophobicContact CD1-CB 3.78Å; Y62-A68 HydrophobicContact CG-CB 4.28Å; G65-A68 WeakPolarHBondContact O-CA 3.43Å; G65-A68 PolarHBondContact O-N 3.12Å
69L67.6Low79.5Confident100 Ų10047.8 Ų47.852%0.52426%0.257SS..  trans-72.9150.4-175.6-73.3156000109.4P67 E71 D72P67-L69 PolarHBondContact O-N 3.21Å; L69-E71 PolarHBondContact O-N 3.26Å; L69-D72 PolarHBondContact O-N 3.17Å
70A68.4Low79.4Confident30 Ų3057.1 Ų57.125%0.24829%0.292CS..G310 helixtrans-57.3-30.3173.900000112.2V5 P7 D72 T73V5-A70 HydrophobicContact CG1-CB 4.33Å; P7-A70 HydrophobicContact CB-CB 4.44Å; A70-D72 VanDerWaalsContact C-N 3.32Å; A70-T73 PolarHBondContact O-OG1 3.15Å; A70-T73 VanDerWaalsContact O-OG1 3.05Å
71E69.3Low79.3Confident183 Ų18359.7 Ų59.786%0.85531%0.314SS*.G310 helixtrans-80.5-12-177.2-55.5-166178.800113.4L69 T73L69-E71 PolarHBondContact O-N 3.26Å; E71-T73 VanDerWaalsContact C-N 3.29Å; E71-T73 PolarHBondContact O-N 2.75Å
72D78.9Confident79.2Confident59 Ų5964.8 Ų64.832%0.31634%0.34SS..G310 helixtrans-96.428.7179.4-67.6-33.2000112.3Y62 K63 L69 A70Y62-D72 WeakPolarHBondContact CA-O 3.49Å; K63-D72 HydrophobicContact CB-CB 4.42Å; K63-D72 PolarHBondContact N-O 2.85Å; L69-D72 PolarHBondContact O-N 3.17Å; A70-D72 VanDerWaalsContact C-N 3.32Å
73T87.3Confident79.4Confident12 Ų1270.8 Ų70.87%0.07436%0.364CS..EExtended strand (participates in β ladder)trans-98.6149178.756.60000111.7P7 L60 V61 Y62 A70 E71P7-T73 HydrophobicContact CB-CG2 4.47Å; P7-T73 HydrophobicContact CG-CG2 4.02Å; L60-T73 HydrophobicContact CD1-CG2 4.16Å; V61-T73 CarbonylContact O-C 3.52Å; V61-T73 WeakPolarHBondContact O-CA 3.17Å; Y62-T73 HydrophobicContact CD1-CG2 3.37Å; Y62-T73 HydrophobicContact CD2-CG2 4.08Å; Y62-T73 HydrophobicContact CE1-CG2 3.22Å; Y62-T73 HydrophobicContact CE2-CG2 3.92Å; Y62-T73 HydrophobicContact CG-CG2 3.84Å; A70-T73 PolarHBondContact O-OG1 3.15Å; A70-T73 VanDerWaalsContact O-OG1 3.05Å; E71-T73 VanDerWaalsContact C-N 3.29Å; E71-T73 PolarHBondContact O-N 2.75Å
74E91.5Very high80.1Confident28 Ų2866.9 Ų66.913%0.13135%0.346CS..EExtended strand (participates in β ladder)trans-141.2157.7173.4-69.9-176.5147.100110.3L60 V61 K63 W76 F86L60-E74 CarbonylContact C-O 3.51Å; L60-E74 WeakPolarHBondContact CA-O 3.37Å; V61-E74 PolarHBondContact N-O 3.14Å; V61-E74 PolarHBondContact O-N 2.97Å; K63-E74 WeakPolarHBondContact CE-OE1 3.44Å; K63-E74 WeakPolarHBondContact CE-OE2 3.49Å; K63-E74 IonicContact NZ-OE1 3.87Å; K63-E74 PolarHBondContact NZ-OE1 3.43Å; K63-E74 IonicContact NZ-OE2 3.98Å; E74-W76 VanDerWaalsContact CB-NE1 3.3Å; E74-W76 WeakPolarHBondContact OE2-CZ2 3.4Å; E74-W76 PolarHBondContact OE2-NE1 3.08Å; E74-F86 HydrophobicContact CB-CE2 4.32Å; E74-F86 HydrophobicContact CG-CE2 4.18Å
75I92.3Very high81.3Confident0 Ų063.6 Ų63.60%032%0.32CS..EExtended strand (participates in β ladder)trans-109.4121176.3-50-63.7000109.5L49 V58 C59 L60 L87 T88 F91 Y94L49-I75 HydrophobicContact CD1-CD1 3.74Å; V58-I75 HydrophobicContact CG1-CG2 3.59Å; C59-I75 WeakPolarHBondContact O-CA 3Å; L60-I75 HydrophobicContact CB-CD1 4.19Å; L60-I75 HydrophobicContact CD1-CD1 3.47Å; L60-I75 VanDerWaalsContact CD1-CD1 3.47Å; L60-I75 HydrophobicContact CG-CD1 4.46Å; I75-L87 HydrophobicContact CG2-CB 4.4Å; I75-L87 HydrophobicContact CG2-CD1 4.28Å; I75-L87 WeakPolarHBondContact O-CB 3.47Å; I75-L87 PolarHBondContact O-N 3.37Å; I75-T88 PolarHBondContact N-O 2.76Å; I75-T88 PolarHBondContact O-N 3.09Å; I75-F91 HydrophobicContact CD1-CB 4.35Å; I75-Y94 HydrophobicContact CG1-CG 4.47Å; I75-Y94 HydrophobicContact CG2-CD1 4.4Å; I75-Y94 HydrophobicContact CG2-CD2 3.73Å; I75-Y94 HydrophobicContact CG2-CE2 4.38Å; I75-Y94 HydrophobicContact CG2-CG 3.74Å
76W94Very high82.9Confident24 Ų2466.6 Ų66.69%0.09133%0.325CS..EExtended strand (participates in β ladder)trans-123.8144.7-177.6-69.179.4000111.1K37 P38 V58 C59 V61 E74 W84 H85 F86K37-W76 HydrophobicContact CB-CH2 4.42Å; K37-W76 HydrophobicContact CB-CZ3 4.37Å; K37-W76 HydrophobicContact CG-CH2 4.11Å; K37-W76 HydrophobicContact CG-CZ3 4.02Å; P38-W76 HydrophobicContact CG-CB 4.34Å; P38-W76 HydrophobicContact CG-CD2 3.54Å; P38-W76 HydrophobicContact CG-CE3 4.1Å; P38-W76 HydrophobicContact CG-CG 3.64Å; P38-W76 HydrophobicContact CG-CZ2 4.29Å; V58-W76 WeakPolarHBondContact CA-O 3.32Å; C59-W76 PolarHBondContact N-O 3.27Å; C59-W76 PolarHBondContact O-N 3.34Å; V61-W76 HydrophobicContact CG2-CB 4.21Å; V61-W76 HydrophobicContact CG2-CG 4.17Å; E74-W76 VanDerWaalsContact CB-NE1 3.3Å; E74-W76 WeakPolarHBondContact OE2-CZ2 3.4Å; E74-W76 PolarHBondContact OE2-NE1 3.08Å; W76-W84 HydrophobicContact CB-CE3 3.7Å; W76-W84 HydrophobicContact CB-CZ3 3.96Å; W76-W84 HydrophobicContact CE3-CB 3.75Å; W76-W84 HydrophobicContact CG-CE3 4.44Å; W76-W84 HydrophobicContact CZ3-CB 4.05Å; W76-H85 CarbonylContact C-O 3.55Å; W76-H85 WeakPolarHBondContact CA-O 3.48Å; W76-H85 VanDerWaalsContact CE3-C 3.44Å; W76-F86 HydrophobicContact CD2-CB 4.41Å; W76-F86 HydrophobicContact CD2-CD2 4.27Å; W76-F86 AromaticContact CE2-CD2 3.77Å; W76-F86 HydrophobicContact CE3-CB 4.03Å; W76-F86 HydrophobicContact CH2-CB 3.91Å; W76-F86 HydrophobicContact CH2-CD2 4.2Å; W76-F86 HydrophobicContact CZ2-CB 4.29Å; W76-F86 AromaticContact CZ2-CD2 3.73Å; W76-F86 HydrophobicContact CZ2-CD2 3.73Å; W76-F86 HydrophobicContact CZ2-CG 4.48Å; W76-F86 HydrophobicContact CZ3-CB 3.78Å
77F94.8Very high84.5Confident0 Ų057.6 Ų57.60%029%0.287CS..EExtended strand (participates in β ladder)trans-97.8122.3167.6-179.9-118000109.9K57 V58 D79 H85 L87 Q108 Y109 T112K57-F77 CarbonylContact O-C 3.5Å; K57-F77 WeakPolarHBondContact O-CA 3.34Å; K57-F77 WeakPolarHBondContact O-CD2 3.39Å; V58-F77 HydrophobicContact CG2-CD2 4.11Å; F77-D79 HydrophobicContact CE1-CB 4.11Å; F77-H85 HydrophobicContact CB-CB 4.33Å; F77-H85 HydrophobicContact CD1-CB 4.49Å; F77-H85 PolarHBondContact N-O 3.29Å; F77-H85 PolarHBondContact O-N 3.27Å; F77-L87 HydrophobicContact CB-CD1 3.97Å; F77-L87 HydrophobicContact CB-CD2 4.17Å; F77-L87 HydrophobicContact CB-CG 3.98Å; F77-Q108 HydrophobicContact CB-CB 4.41Å; F77-Q108 HydrophobicContact CD1-CB 4.02Å; F77-Q108 HydrophobicContact CD2-CB 3.72Å; F77-Q108 HydrophobicContact CD2-CG 3.96Å; F77-Q108 HydrophobicContact CE1-CB 4.2Å; F77-Q108 HydrophobicContact CE2-CB 3.91Å; F77-Q108 HydrophobicContact CE2-CG 4.24Å; F77-Q108 HydrophobicContact CG-CB 3.79Å; F77-Q108 HydrophobicContact CG-CG 4.4Å; F77-Q108 HydrophobicContact CZ-CB 4.15Å; F77-Y109 HydrophobicContact CE1-CD1 4.45Å; F77-Y109 HydrophobicContact CE1-CD2 4.08Å; F77-Y109 HydrophobicContact CE1-CE1 4.24Å; F77-Y109 AromaticContact CE1-CE2 3.84Å; F77-Y109 HydrophobicContact CE1-CE2 3.84Å; F77-Y109 HydrophobicContact CE1-CG 4.39Å; F77-Y109 AromaticContact CE1-CZ 3.93Å; F77-Y109 HydrophobicContact CZ-CD2 4.02Å; F77-Y109 AromaticContact CZ-CE2 3.55Å; F77-Y109 HydrophobicContact CZ-CE2 3.55Å; F77-Y109 AromaticContact CZ-CZ 3.93Å; F77-T112 HydrophobicContact CD1-CG2 4.06Å; F77-T112 HydrophobicContact CE1-CG2 4.3Å
78L93.9Very high86.1Confident12 Ų1253.5 Ų53.56%0.06326%0.26CS..EExtended strand (participates in β ladder)trans-99114.2173-178.267.7000109F40 G56 K57 L82 Y83 W84F40-L78 HydrophobicContact CE1-CD2 4.15Å; F40-L78 HydrophobicContact CE2-CD1 4.44Å; F40-L78 HydrophobicContact CZ-CD1 3.89Å; F40-L78 HydrophobicContact CZ-CD2 3.65Å; F40-L78 HydrophobicContact CZ-CG 4.44Å; G56-L78 CarbonylContact C-O 3.43Å; G56-L78 WeakPolarHBondContact CA-O 3.46Å; K57-L78 HydrophobicContact CB-CB 4.41Å; K57-L78 PolarHBondContact N-O 3.19Å; K57-L78 PolarHBondContact O-N 3.42Å; L78-L82 HydrophobicContact CD1-CB 4.38Å; L78-L82 HydrophobicContact CD2-CD2 4.34Å; L78-Y83 WeakPolarHBondContact CA-O 3.47Å; L78-W84 HydrophobicContact CB-CE3 3.89Å; L78-W84 HydrophobicContact CB-CH2 4.14Å; L78-W84 HydrophobicContact CB-CZ3 3.67Å; L78-W84 HydrophobicContact CD1-CD2 3.78Å; L78-W84 HydrophobicContact CD1-CE3 3.97Å; L78-W84 HydrophobicContact CD1-CG 4.36Å; L78-W84 HydrophobicContact CD1-CH2 4.18Å; L78-W84 HydrophobicContact CD1-CZ2 3.97Å; L78-W84 HydrophobicContact CD1-CZ3 4.18Å; L78-W84 HydrophobicContact CD2-CH2 4.16Å; L78-W84 HydrophobicContact CD2-CZ2 4.4Å; L78-W84 HydrophobicContact CG-CE3 4.5Å; L78-W84 HydrophobicContact CG-CH2 4.4Å; L78-W84 HydrophobicContact CG-CZ3 4.34Å
79D91.8Very high87.2Confident6 Ų657.7 Ų57.73%0.03228%0.281CS..EExtended strand (participates in β ladder)trans-79176.2177.97423.3000112.9F77 A81 L82 Y83 H85 Y114F77-D79 HydrophobicContact CE1-CB 4.11Å; D79-A81 PolarHBondContact O-N 2.62Å; D79-A81 VanDerWaalsContact OD1-C 3.24Å; D79-A81 VanDerWaalsContact OD1-CA 3.26Å; D79-A81 WeakPolarHBondContact OD1-CA 3.41Å; D79-A81 WeakPolarHBondContact OD1-CB 3.48Å; D79-A81 PolarHBondContact OD1-N 2.6Å; D79-L82 PolarHBondContact O-N 2.99Å; D79-L82 PolarHBondContact OD1-N 2.9Å; D79-Y83 PolarHBondContact N-O 3.26Å; D79-Y83 PolarHBondContact OD1-N 2.87Å; D79-Y83 WeakPolarHBondContact OD2-CB 3.44Å; D79-H85 IonicContact OD2-CD2 2.62Å; D79-H85 IonicContact OD2-CE1 3.53Å; D79-H85 IonicContact OD2-NE2 3.82Å; D79-H85 PolarHBondContact OD2-NE2 2.83Å; D79-Y114 WeakPolarHBondContact OD2-CE2 3.11Å
80R89.9Confident88.2Confident201 Ų20155.6 Ų55.676%0.75827%0.273SS*.THydrogen-bonded Turntrans-67.6-19.2179.3-62.3-169.3-63.5176.30.5114.1G54G54-R80 WeakPolarHBondContact O-CD 3.45Å
81A89.2Confident89.1Confident59 Ų5954.5 Ų54.549%0.48826%0.262SS..THydrogen-bonded Turntrans-90.17.6174.600000111.9D79 Y83D79-A81 PolarHBondContact O-N 2.62Å; D79-A81 VanDerWaalsContact OD1-C 3.24Å; D79-A81 VanDerWaalsContact OD1-CA 3.26Å; D79-A81 WeakPolarHBondContact OD1-CA 3.41Å; D79-A81 WeakPolarHBondContact OD1-CB 3.48Å; D79-A81 PolarHBondContact OD1-N 2.6Å; A81-Y83 VanDerWaalsContact C-N 3.27Å; A81-Y83 HydrophobicContact CB-CD2 3.62Å; A81-Y83 HydrophobicContact CB-CE2 3.7Å; A81-Y83 PolarHBondContact O-N 2.78Å
82L88Confident90Very high109 Ų10949.3 Ų49.357%0.57124%0.243SC*.  trans66.123.5-179.6-52.7174.3000113.9L78 D79L78-L82 HydrophobicContact CD1-CB 4.38Å; L78-L82 HydrophobicContact CD2-CD2 4.34Å; D79-L82 PolarHBondContact O-N 2.99Å; D79-L82 PolarHBondContact OD1-N 2.9Å
83Y89.5Confident90.4Very high133 Ų13347.4 Ų47.452%0.52224%0.236SC..  trans-84.8136.9170.3-63.2-71.6000111.3L78 D79 A81 H85L78-Y83 WeakPolarHBondContact CA-O 3.47Å; D79-Y83 PolarHBondContact N-O 3.26Å; D79-Y83 PolarHBondContact OD1-N 2.87Å; D79-Y83 WeakPolarHBondContact OD2-CB 3.44Å; A81-Y83 VanDerWaalsContact C-N 3.27Å; A81-Y83 HydrophobicContact CB-CD2 3.62Å; A81-Y83 HydrophobicContact CB-CE2 3.7Å; A81-Y83 PolarHBondContact O-N 2.78Å; Y83-H85 PolarHBondContact O-CD2 2.69Å; Y83-H85 VanDerWaalsContact O-CD2 3.3Å
84W91.4Very high90.6Very high19 Ų1947 Ų477%0.07223%0.233CC..EExtended strand (participates in β ladder)trans-86.9128173.6-66.3110.2000111.3K37 P38 F40 I46 C59 V61 W76 L78K37-W84 HydrophobicContact CB-CB 4.18Å; K37-W84 HydrophobicContact CD-CB 4.42Å; P38-W84 HydrophobicContact CB-CD2 3.93Å; P38-W84 HydrophobicContact CB-CE3 4.36Å; P38-W84 HydrophobicContact CB-CG 4.32Å; P38-W84 HydrophobicContact CB-CH2 4.39Å; P38-W84 HydrophobicContact CB-CZ2 3.97Å; P38-W84 HydrophobicContact CG-CD2 3.92Å; P38-W84 HydrophobicContact CG-CE3 4.09Å; P38-W84 HydrophobicContact CG-CG 4.18Å; P38-W84 PolarHBondContact O-NE1 3.19Å; F40-W84 HydrophobicContact CD1-CZ2 4.35Å; F40-W84 HydrophobicContact CE1-CH2 4.24Å; F40-W84 AromaticContact CE1-CZ2 3.6Å; F40-W84 HydrophobicContact CE1-CZ2 3.6Å; F40-W84 HydrophobicContact CE2-CZ2 4.08Å; F40-W84 AromaticContact CE2-NE1 3.97Å; F40-W84 AromaticContact CZ-CE2 3.98Å; F40-W84 HydrophobicContact CZ-CH2 4.27Å; F40-W84 AromaticContact CZ-CZ2 3.44Å; F40-W84 HydrophobicContact CZ-CZ2 3.44Å; F40-W84 VanDerWaalsContact CZ-CZ2 3.44Å; I46-W84 HydrophobicContact CD1-CH2 4.03Å; I46-W84 HydrophobicContact CD1-CZ2 3.9Å; I46-W84 HydrophobicContact CG2-CH2 4.18Å; C59-W84 HydrophobicContact CB-CH2 4.31Å; C59-W84 HydrophobicContact CB-CZ3 4.01Å; V61-W84 HydrophobicContact CG2-CZ3 4.48Å; W76-W84 HydrophobicContact CB-CE3 3.7Å; W76-W84 HydrophobicContact CB-CZ3 3.96Å; W76-W84 HydrophobicContact CE3-CB 3.75Å; W76-W84 HydrophobicContact CG-CE3 4.44Å; W76-W84 HydrophobicContact CZ3-CB 4.05Å; L78-W84 HydrophobicContact CB-CE3 3.89Å; L78-W84 HydrophobicContact CB-CH2 4.14Å; L78-W84 HydrophobicContact CB-CZ3 3.67Å; L78-W84 HydrophobicContact CD1-CD2 3.78Å; L78-W84 HydrophobicContact CD1-CE3 3.97Å; L78-W84 HydrophobicContact CD1-CG 4.36Å; L78-W84 HydrophobicContact CD1-CH2 4.18Å; L78-W84 HydrophobicContact CD1-CZ2 3.97Å; L78-W84 HydrophobicContact CD1-CZ3 4.18Å; L78-W84 HydrophobicContact CD2-CH2 4.16Å; L78-W84 HydrophobicContact CD2-CZ2 4.4Å; L78-W84 HydrophobicContact CG-CE3 4.5Å; L78-W84 HydrophobicContact CG-CH2 4.4Å; L78-W84 HydrophobicContact CG-CZ3 4.34Å
85H91.4Very high90.5Very high26 Ų2649.2 Ų49.212%0.1224%0.241CC..EExtended strand (participates in β ladder)trans-121.9123.7175.1-55-87.2000108.6W76 F77 D79 Y83 T112 Y114W76-H85 CarbonylContact C-O 3.55Å; W76-H85 WeakPolarHBondContact CA-O 3.48Å; W76-H85 VanDerWaalsContact CE3-C 3.44Å; F77-H85 HydrophobicContact CB-CB 4.33Å; F77-H85 HydrophobicContact CD1-CB 4.49Å; F77-H85 PolarHBondContact N-O 3.29Å; F77-H85 PolarHBondContact O-N 3.27Å; D79-H85 IonicContact OD2-CD2 2.62Å; D79-H85 IonicContact OD2-CE1 3.53Å; D79-H85 IonicContact OD2-NE2 3.82Å; D79-H85 PolarHBondContact OD2-NE2 2.83Å; Y83-H85 PolarHBondContact O-CD2 2.69Å; Y83-H85 VanDerWaalsContact O-CD2 3.3Å; H85-T112 HydrophobicContact CB-CG2 4.06Å; H85-Y114 AromaticContact CE1-CE2 4Å
86F91.3Very high90.3Very high92 Ų9256 Ų5640%0.40427%0.266SS..EExtended strand (participates in β ladder)trans-69.8134.6179.1-179.6-100.8000109.8E74 W76 T88 D89E74-F86 HydrophobicContact CB-CE2 4.32Å; E74-F86 HydrophobicContact CG-CE2 4.18Å; W76-F86 HydrophobicContact CD2-CB 4.41Å; W76-F86 HydrophobicContact CD2-CD2 4.27Å; W76-F86 AromaticContact CE2-CD2 3.77Å; W76-F86 HydrophobicContact CE3-CB 4.03Å; W76-F86 HydrophobicContact CH2-CB 3.91Å; W76-F86 HydrophobicContact CH2-CD2 4.2Å; W76-F86 HydrophobicContact CZ2-CB 4.29Å; W76-F86 AromaticContact CZ2-CD2 3.73Å; W76-F86 HydrophobicContact CZ2-CD2 3.73Å; W76-F86 HydrophobicContact CZ2-CG 4.48Å; W76-F86 HydrophobicContact CZ3-CB 3.78Å; F86-T88 WeakPolarHBondContact CE2-O 3.39Å; F86-D89 HydrophobicContact CZ-CB 4.46Å
87L90.9Very high90Very high12 Ų1256.1 Ų56.16%0.06327%0.269CS..EExtended strand (participates in β ladder)trans-105.7-61.9171.5-65-179.2000110.3V58 I75 F77 Y94 Q108 F111V58-L87 HydrophobicContact CG1-CD1 4.28Å; V58-L87 HydrophobicContact CG2-CD1 4.21Å; I75-L87 HydrophobicContact CG2-CB 4.4Å; I75-L87 HydrophobicContact CG2-CD1 4.28Å; I75-L87 WeakPolarHBondContact O-CB 3.47Å; I75-L87 PolarHBondContact O-N 3.37Å; F77-L87 HydrophobicContact CB-CD1 3.97Å; F77-L87 HydrophobicContact CB-CD2 4.17Å; F77-L87 HydrophobicContact CB-CG 3.98Å; L87-Y94 HydrophobicContact CD1-CD2 4Å; L87-Y94 HydrophobicContact CD1-CE2 4.05Å; L87-Q108 HydrophobicContact CD1-CG 4.4Å; L87-F111 HydrophobicContact CD2-CB 3.88Å; L87-F111 HydrophobicContact CD2-CD2 3.95Å; L87-F111 HydrophobicContact CD2-CG 3.93Å
88T91.8Very high89.7Confident11 Ų1157.4 Ų57.47%0.06728%0.275CS..EExtended strand (participates in β ladder)trans-153.8165-175.170.50000112I75 F86 T90 A93 Y94 L97I75-T88 PolarHBondContact N-O 2.76Å; I75-T88 PolarHBondContact O-N 3.09Å; F86-T88 WeakPolarHBondContact CE2-O 3.39Å; T88-T90 PolarHBondContact OG1-O 3.43Å; T88-A93 HydrophobicContact CG2-CB 3.86Å; T88-Y94 WeakPolarHBondContact OG1-CB 3.44Å; T88-Y94 PolarHBondContact OG1-N 3.33Å; T88-L97 HydrophobicContact CG2-CD1 3.37Å; T88-L97 HydrophobicContact CG2-CG 4.2Å
89D88.4Confident89.4Confident96 Ų9661.3 Ų61.351%0.51330%0.295SS..SBendtrans-81.7-27.7173.456.5-1.2000113.2F86F86-D89 HydrophobicContact CZ-CB 4.46Å
90T87.7Confident89.1Confident56 Ų5663.1 Ų63.134%0.34431%0.307SS..SBendtrans-126.5151.9-176.458.70000112.3T88 T92 A93 Y94T88-T90 PolarHBondContact OG1-O 3.43Å; T90-T92 VanDerWaalsContact C-N 3.28Å; T90-T92 PolarHBondContact O-N 3.1Å; T90-A93 PolarHBondContact O-N 3.34Å; T90-A93 VanDerWaalsContact OG1-CB 3.25Å; T90-A93 WeakPolarHBondContact OG1-CB 3.46Å; T90-A93 PolarHBondContact OG1-N 3.19Å; T90-Y94 PolarHBondContact O-N 2.81Å; T90-Y94 VanDerWaalsContact O-N 3.1Å
91F88.8Confident88.9Confident6 Ų654 Ų543%0.02627%0.273CS..Hα-helixtrans-64.7-35.8174.8171.5-92.4000111.3D9 V10 F13 F20 L49 I75 A93 Y94 Y95D9-F91 WeakPolarHBondContact OD2-CA 3.45Å; D9-F91 WeakPolarHBondContact OD2-CB 3.5Å; D9-F91 PolarHBondContact OD2-N 2.89Å; V10-F91 HydrophobicContact CB-CG 4.49Å; V10-F91 HydrophobicContact CG2-CB 3.42Å; V10-F91 VanDerWaalsContact CG2-CB 3.42Å; V10-F91 HydrophobicContact CG2-CD1 3.98Å; V10-F91 HydrophobicContact CG2-CD2 3.83Å; V10-F91 HydrophobicContact CG2-CG 3.47Å; V10-F91 VanDerWaalsContact CG2-CG 3.47Å; F13-F91 HydrophobicContact CB-CD1 4.47Å; F13-F91 HydrophobicContact CB-CE1 3.6Å; F13-F91 HydrophobicContact CB-CZ 4.23Å; F13-F91 HydrophobicContact CD1-CE1 4.09Å; F13-F91 AromaticContact CD1-CZ 3.83Å; F13-F91 HydrophobicContact CD1-CZ 3.83Å; F13-F91 HydrophobicContact CD2-CE1 4.02Å; F13-F91 HydrophobicContact CD2-CZ 4.24Å; F13-F91 HydrophobicContact CE1-CZ 4.25Å; F13-F91 AromaticContact CG-CE1 3.62Å; F13-F91 HydrophobicContact CG-CE1 3.62Å; F13-F91 AromaticContact CG-CZ 3.82Å; F13-F91 HydrophobicContact CG-CZ 3.82Å; F20-F91 HydrophobicContact CD2-CE2 4.42Å; F20-F91 HydrophobicContact CD2-CZ 4.23Å; F20-F91 HydrophobicContact CE2-CE2 4.31Å; F20-F91 AromaticContact CE2-CZ 4Å; F20-F91 HydrophobicContact CE2-CZ 4Å; L49-F91 HydrophobicContact CD1-CD2 4.02Å; L49-F91 HydrophobicContact CD1-CE2 4.33Å; I75-F91 HydrophobicContact CD1-CB 4.35Å; F91-A93 VanDerWaalsContact C-N 3.35Å; F91-A93 PolarHBondContact O-N 3.45Å; F91-Y94 HydrophobicContact CD2-CD1 4.05Å; F91-Y94 HydrophobicContact CE2-CD1 4.12Å; F91-Y94 HydrophobicContact CE2-CE1 4.41Å; F91-Y94 WeakPolarHBondContact O-CB 3.39Å; F91-Y94 PolarHBondContact O-N 2.8Å; F91-Y95 HydrophobicContact CZ-CD2 4.49Å; F91-Y95 WeakPolarHBondContact O-CB 3.43Å; F91-Y95 PolarHBondContact O-N 3.22Å
92T86.3Confident88.8Confident74 Ų7455.2 Ų55.245%0.45427%0.271SS..Hα-helixtrans-59.1-45.4175.7-57.30000111.9D9 T90 Y94 Y95 R96D9-T92 WeakPolarHBondContact CB-OG1 3.4Å; D9-T92 PolarHBondContact OD2-N 2.99Å; D9-T92 PolarHBondContact OD2-OG1 2.7Å; T90-T92 VanDerWaalsContact C-N 3.28Å; T90-T92 PolarHBondContact O-N 3.1Å; T92-Y94 VanDerWaalsContact C-N 3.35Å; T92-Y95 PolarHBondContact O-N 2.98Å; T92-R96 WeakPolarHBondContact O-CG 3.42Å; T92-R96 PolarHBondContact O-N 3.06Å
93A87.4Confident88.7Confident20 Ų2052.1 Ų52.117%0.16527%0.265CS..Hα-helixtrans-63.3-42.5176.400000111.2T88 T90 F91 Y95 R96 L97T88-A93 HydrophobicContact CG2-CB 3.86Å; T90-A93 PolarHBondContact O-N 3.34Å; T90-A93 VanDerWaalsContact OG1-CB 3.25Å; T90-A93 WeakPolarHBondContact OG1-CB 3.46Å; T90-A93 PolarHBondContact OG1-N 3.19Å; F91-A93 VanDerWaalsContact C-N 3.35Å; F91-A93 PolarHBondContact O-N 3.45Å; A93-Y95 PolarHBondContact O-N 3.02Å; A93-R96 WeakPolarHBondContact O-CB 3.15Å; A93-R96 PolarHBondContact O-N 3.15Å; A93-L97 PolarHBondContact O-N 3.46Å
94Y92.2Very high88.7Confident2 Ų246.5 Ų46.51%0.00824%0.244CC..Hα-helixtrans-59.2-45.8174164.6-106.7000112.3L49 V58 I75 L87 T88 T90 F91 T92 R96 L97 L98 W107L49-Y94 HydrophobicContact CD1-CD1 4.47Å; L49-Y94 HydrophobicContact CD1-CE1 4.39Å; V58-Y94 HydrophobicContact CB-CE2 4.36Å; V58-Y94 HydrophobicContact CG1-CD2 4.22Å; V58-Y94 HydrophobicContact CG1-CE1 4.3Å; V58-Y94 HydrophobicContact CG1-CE2 3.61Å; V58-Y94 HydrophobicContact CG2-CE2 4.04Å; I75-Y94 HydrophobicContact CG1-CG 4.47Å; I75-Y94 HydrophobicContact CG2-CD1 4.4Å; I75-Y94 HydrophobicContact CG2-CD2 3.73Å; I75-Y94 HydrophobicContact CG2-CE2 4.38Å; I75-Y94 HydrophobicContact CG2-CG 3.74Å; L87-Y94 HydrophobicContact CD1-CD2 4Å; L87-Y94 HydrophobicContact CD1-CE2 4.05Å; T88-Y94 WeakPolarHBondContact OG1-CB 3.44Å; T88-Y94 PolarHBondContact OG1-N 3.33Å; T90-Y94 PolarHBondContact O-N 2.81Å; T90-Y94 VanDerWaalsContact O-N 3.1Å; F91-Y94 HydrophobicContact CD2-CD1 4.05Å; F91-Y94 HydrophobicContact CE2-CD1 4.12Å; F91-Y94 HydrophobicContact CE2-CE1 4.41Å; F91-Y94 WeakPolarHBondContact O-CB 3.39Å; F91-Y94 PolarHBondContact O-N 2.8Å; T92-Y94 VanDerWaalsContact C-N 3.35Å; Y94-R96 VanDerWaalsContact C-N 3.29Å; Y94-R96 PolarHBondContact O-N 3.44Å; Y94-L97 WeakPolarHBondContact O-CB 3.29Å; Y94-L97 PolarHBondContact O-N 2.8Å; Y94-L97 VanDerWaalsContact O-N 3.09Å; Y94-L98 PolarHBondContact O-N 2.64Å; Y94-W107 HydrophobicContact CD2-CH2 4.14Å; Y94-W107 HydrophobicContact CD2-CZ2 4.32Å; Y94-W107 AromaticContact CE2-CH2 3.94Å; Y94-W107 HydrophobicContact CE2-CH2 3.94Å; Y94-W107 AromaticContact CE2-CZ2 3.69Å; Y94-W107 HydrophobicContact CE2-CZ2 3.69Å
95Y88.8Confident88.5Confident76 Ų7649.5 Ų49.530%0.29827%0.265SS..Hα-helixtrans-64.3-36.1179.3-172.3-108.2000111.7F13 F20 F91 T92 A93 L98 I99F13-Y95 HydrophobicContact CD2-CD2 4.49Å; F13-Y95 HydrophobicContact CD2-CE2 4.29Å; F13-Y95 HydrophobicContact CE2-CD2 4Å; F13-Y95 HydrophobicContact CE2-CE1 4.32Å; F13-Y95 AromaticContact CE2-CE2 3.46Å; F13-Y95 HydrophobicContact CE2-CE2 3.46Å; F13-Y95 VanDerWaalsContact CE2-CE2 3.46Å; F13-Y95 AromaticContact CE2-CZ 3.65Å; F13-Y95 HydrophobicContact CZ-CE2 4.05Å; F20-Y95 HydrophobicContact CE2-CD2 4.27Å; F20-Y95 HydrophobicContact CE2-CE2 4.35Å; F20-Y95 HydrophobicContact CZ-CD2 4.45Å; F20-Y95 HydrophobicContact CZ-CE2 4.35Å; F91-Y95 HydrophobicContact CZ-CD2 4.49Å; F91-Y95 WeakPolarHBondContact O-CB 3.43Å; F91-Y95 PolarHBondContact O-N 3.22Å; T92-Y95 PolarHBondContact O-N 2.98Å; A93-Y95 PolarHBondContact O-N 3.02Å; Y95-L98 HydrophobicContact CD2-CD2 4.14Å; Y95-L98 HydrophobicContact CE2-CD2 4.24Å; Y95-L98 WeakPolarHBondContact O-CB 3.41Å; Y95-L98 PolarHBondContact O-N 2.98Å; Y95-I99 HydrophobicContact CD1-CD1 3.74Å; Y95-I99 HydrophobicContact CE1-CD1 3.37Å; Y95-I99 HydrophobicContact CE1-CG1 4.26Å; Y95-I99 WeakPolarHBondContact O-CG1 3.48Å; Y95-I99 PolarHBondContact O-N 3.09Å
96R87.9Confident88.5Confident142 Ų14250.8 Ų50.854%0.53627%0.272SS..Hα-helixtrans-62.3-45170-74.2177.259.3-133.1-3.8111.8T92 A93 Y94 L98 I99 T100T92-R96 WeakPolarHBondContact O-CG 3.42Å; T92-R96 PolarHBondContact O-N 3.06Å; A93-R96 WeakPolarHBondContact O-CB 3.15Å; A93-R96 PolarHBondContact O-N 3.15Å; Y94-R96 VanDerWaalsContact C-N 3.29Å; Y94-R96 PolarHBondContact O-N 3.44Å; R96-L98 VanDerWaalsContact C-N 3.31Å; R96-L98 PolarHBondContact O-N 3.11Å; R96-I99 PolarHBondContact O-N 3.18Å; R96-T100 PolarHBondContact O-N 3.03Å; R96-T100 PolarHBondContact O-OG1 3.17Å; R96-T100 VanDerWaalsContact O-OG1 3.06Å
97L88.8Confident88.5Confident27 Ų2746.6 Ų46.614%0.14125%0.253CS..Hα-helixtrans-58.6-43.6175.3-72.5-179.6000111.7T88 A93 Y94 I99 T100 H101 W107 F111T88-L97 HydrophobicContact CG2-CD1 3.37Å; T88-L97 HydrophobicContact CG2-CG 4.2Å; A93-L97 PolarHBondContact O-N 3.46Å; Y94-L97 WeakPolarHBondContact O-CB 3.29Å; Y94-L97 PolarHBondContact O-N 2.8Å; Y94-L97 VanDerWaalsContact O-N 3.09Å; L97-I99 VanDerWaalsContact C-N 3.33Å; L97-I99 PolarHBondContact O-N 3.18Å; L97-T100 PolarHBondContact O-N 3.28Å; L97-H101 PolarHBondContact O-N 3.28Å; L97-H101 PolarHBondContact O-ND1 3.23Å; L97-W107 HydrophobicContact CB-CH2 3.55Å; L97-W107 HydrophobicContact CB-CZ3 3.7Å; L97-W107 HydrophobicContact CD1-CH2 4.34Å; L97-W107 HydrophobicContact CD1-CZ3 4.25Å; L97-F111 HydrophobicContact CD1-CE1 4.39Å; L97-F111 HydrophobicContact CD1-CE2 4.39Å; L97-F111 HydrophobicContact CD1-CZ 3.97Å; L97-F111 HydrophobicContact CD2-CZ 3.82Å
98L89.4Confident88.6Confident26 Ų2646.2 Ų46.214%0.13625%0.251CS..Hα-helixtrans-56.3-47.1175.6-179.670.7000111.3F20 Y94 Y95 R96 H101 L102 G103 W107F20-L98 HydrophobicContact CE1-CD2 4.48Å; F20-L98 HydrophobicContact CZ-CD2 3.83Å; Y94-L98 PolarHBondContact O-N 2.64Å; Y95-L98 HydrophobicContact CD2-CD2 4.14Å; Y95-L98 HydrophobicContact CE2-CD2 4.24Å; Y95-L98 WeakPolarHBondContact O-CB 3.41Å; Y95-L98 PolarHBondContact O-N 2.98Å; R96-L98 VanDerWaalsContact C-N 3.31Å; R96-L98 PolarHBondContact O-N 3.11Å; L98-H101 CarbonylContact O-C 3.6Å; L98-H101 PolarHBondContact O-N 3.14Å; L98-L102 PolarHBondContact O-N 3.25Å; L98-L102 VanDerWaalsContact O-N 3.12Å; L98-G103 PolarHBondContact O-N 3.18Å; L98-W107 HydrophobicContact CB-CZ2 4.15Å; L98-W107 HydrophobicContact CD1-CZ2 4.16Å
99I86.6Confident88.6Confident94 Ų9447 Ų4748%0.48225%0.253SS..Hα-helixtrans-65.6-44.7177.6-67.9167.8000111.4Y95 R96 L97 H101 L102Y95-I99 HydrophobicContact CD1-CD1 3.74Å; Y95-I99 HydrophobicContact CE1-CD1 3.37Å; Y95-I99 HydrophobicContact CE1-CG1 4.26Å; Y95-I99 WeakPolarHBondContact O-CG1 3.48Å; Y95-I99 PolarHBondContact O-N 3.09Å; R96-I99 PolarHBondContact O-N 3.18Å; L97-I99 VanDerWaalsContact C-N 3.33Å; L97-I99 PolarHBondContact O-N 3.18Å; I99-H101 PolarHBondContact O-N 3.37Å; I99-L102 WeakPolarHBondContact O-CA 3.44Å; I99-L102 PolarHBondContact O-N 3.4Å
100T85Confident88.6Confident44 Ų4444.7 Ų44.727%0.2725%0.247SC..Hα-helixtrans-58.4-36178.3-630000111.7R96 L97 L102R96-T100 PolarHBondContact O-N 3.03Å; R96-T100 PolarHBondContact O-OG1 3.17Å; R96-T100 VanDerWaalsContact O-OG1 3.06Å; L97-T100 PolarHBondContact O-N 3.28Å; T100-L102 VanDerWaalsContact C-N 3.31Å
101H86.5Confident88.7Confident10 Ų1046 Ų465%0.04625%0.248CC..THydrogen-bonded Turntrans-90.69.8175.8-62.881.6000113.2L97 L98 I99 G103 L104 W107 F111 F124L97-H101 PolarHBondContact O-N 3.28Å; L97-H101 PolarHBondContact O-ND1 3.23Å; L98-H101 CarbonylContact O-C 3.6Å; L98-H101 PolarHBondContact O-N 3.14Å; I99-H101 PolarHBondContact O-N 3.37Å; H101-G103 PolarHBondContact O-N 2.94Å; H101-L104 WeakPolarHBondContact O-CB 3.38Å; H101-L104 VanDerWaalsContact O-CG 3.26Å; H101-L104 WeakPolarHBondContact O-CG 3.45Å; H101-L104 PolarHBondContact O-N 3.12Å; H101-W107 HydrophobicContact CB-CB 3.55Å; H101-W107 HydrophobicContact CB-CD2 3.83Å; H101-W107 HydrophobicContact CB-CE3 4.1Å; H101-W107 HydrophobicContact CB-CG 3.62Å; H101-W107 AromaticContact CE1-CE3 3.85Å; H101-W107 AromaticContact CG-CD2 3.89Å; H101-W107 AromaticContact CG-CE3 3.62Å; H101-W107 AromaticContact ND1-CE3 3.51Å; H101-W107 AromaticContact ND1-CZ3 3.94Å; H101-F111 AromaticContact CE1-CE2 3.87Å; H101-F124 HydrophobicContact CB-CE1 4.44Å; H101-F124 AromaticContact CD2-CE1 3.84Å
102L86.4Confident88.7Confident85 Ų8546.4 Ų46.445%0.44525%0.251SS..THydrogen-bonded Turntrans53.424.1179.6-55.7175.2000114.2L98 I99 T100 L104 Y127 T131L98-L102 PolarHBondContact O-N 3.25Å; L98-L102 VanDerWaalsContact O-N 3.12Å; I99-L102 WeakPolarHBondContact O-CA 3.44Å; I99-L102 PolarHBondContact O-N 3.4Å; T100-L102 VanDerWaalsContact C-N 3.31Å; L102-L104 HydrophobicContact CB-CG 4.3Å; L102-L104 PolarHBondContact O-N 2.9Å; L102-Y127 HydrophobicContact CD1-CD1 4.4Å; L102-Y127 HydrophobicContact CD1-CG 4.42Å; L102-T131 HydrophobicContact CD1-CG2 3.54Å; L102-T131 HydrophobicContact CG-CG2 4.03Å
103G86.3Confident88.7Confident43 Ų4348.2 Ų48.244%0.44327%0.267SS..THydrogen-bonded Turntrans60.722.6-172.800000114.3L98 H101L98-G103 PolarHBondContact O-N 3.18Å; H101-G103 PolarHBondContact O-N 2.94Å
104L88.6Confident88.7Confident16 Ų1653.7 Ų53.78%0.08428%0.284CS..  trans-62.2141-178.7-70.6177.1000111.3H101 L102 Q106 W107 W123 F124 Y127H101-L104 WeakPolarHBondContact O-CB 3.38Å; H101-L104 VanDerWaalsContact O-CG 3.26Å; H101-L104 WeakPolarHBondContact O-CG 3.45Å; H101-L104 PolarHBondContact O-N 3.12Å; L102-L104 HydrophobicContact CB-CG 4.3Å; L102-L104 PolarHBondContact O-N 2.9Å; L104-Q106 PolarHBondContact O-N 3.37Å; L104-W107 WeakPolarHBondContact O-CB 3.25Å; L104-W107 PolarHBondContact O-N 2.9Å; L104-W123 HydrophobicContact CD2-CB 4.4Å; L104-F124 HydrophobicContact CB-CE1 4.48Å; L104-F124 HydrophobicContact CB-CE2 4.18Å; L104-F124 HydrophobicContact CB-CZ 4.01Å; L104-F124 HydrophobicContact CD1-CD1 3.74Å; L104-F124 HydrophobicContact CD1-CD2 4.29Å; L104-F124 HydrophobicContact CD1-CE1 3.79Å; L104-F124 HydrophobicContact CD1-CE2 4.33Å; L104-F124 HydrophobicContact CD1-CG 3.99Å; L104-F124 HydrophobicContact CD1-CZ 4.09Å; L104-Y127 HydrophobicContact CD1-CD2 4.21Å; L104-Y127 HydrophobicContact CD2-CD2 3.72Å; L104-Y127 HydrophobicContact CD2-CE2 3.88Å
105P88.8Confident88.4Confident81 Ų8154.9 Ų54.953%0.52630%0.297SS..THydrogen-bonded Turntrans-53.3137.1179.6-26.434000112.5W107P105-W107 PolarHBondContact O-N 3.43Å
106Q90.5Very high88.4Confident54 Ų5453 Ų5325%0.25229%0.292SS..THydrogen-bonded Turntrans64.317.7176.2-54.7-178.8-17.300115.6L104 Q108 Y109 S117 A120L104-Q106 PolarHBondContact O-N 3.37Å; Q106-Q108 PolarHBondContact O-N 3.09Å; Q106-Y109 HydrophobicContact CB-CD2 3.89Å; Q106-Y109 HydrophobicContact CG-CD2 4.37Å; Q106-Y109 WeakPolarHBondContact O-CB 3.44Å; Q106-Y109 PolarHBondContact O-N 2.97Å; Q106-Y109 VanDerWaalsContact O-N 3.09Å; Q106-S117 VanDerWaalsContact OE1-CB 3.26Å; Q106-S117 PolarHBondContact OE1-OG 2.89Å; Q106-A120 HydrophobicContact CB-CB 4.2Å
107W91.8Very high88.3Confident3 Ų347.9 Ų47.91%0.01128%0.278CS..G310 helixtrans-58.2-30.2178.173.7-96.5000113.3Y94 L97 L98 H101 L104 P105 Y109 A110 F111 F124Y94-W107 HydrophobicContact CD2-CH2 4.14Å; Y94-W107 HydrophobicContact CD2-CZ2 4.32Å; Y94-W107 AromaticContact CE2-CH2 3.94Å; Y94-W107 HydrophobicContact CE2-CH2 3.94Å; Y94-W107 AromaticContact CE2-CZ2 3.69Å; Y94-W107 HydrophobicContact CE2-CZ2 3.69Å; L97-W107 HydrophobicContact CB-CH2 3.55Å; L97-W107 HydrophobicContact CB-CZ3 3.7Å; L97-W107 HydrophobicContact CD1-CH2 4.34Å; L97-W107 HydrophobicContact CD1-CZ3 4.25Å; L98-W107 HydrophobicContact CB-CZ2 4.15Å; L98-W107 HydrophobicContact CD1-CZ2 4.16Å; H101-W107 HydrophobicContact CB-CB 3.55Å; H101-W107 HydrophobicContact CB-CD2 3.83Å; H101-W107 HydrophobicContact CB-CE3 4.1Å; H101-W107 HydrophobicContact CB-CG 3.62Å; H101-W107 AromaticContact CE1-CE3 3.85Å; H101-W107 AromaticContact CG-CD2 3.89Å; H101-W107 AromaticContact CG-CE3 3.62Å; H101-W107 AromaticContact ND1-CE3 3.51Å; H101-W107 AromaticContact ND1-CZ3 3.94Å; L104-W107 WeakPolarHBondContact O-CB 3.25Å; L104-W107 PolarHBondContact O-N 2.9Å; P105-W107 PolarHBondContact O-N 3.43Å; W107-Y109 PolarHBondContact O-N 3.39Å; W107-A110 WeakPolarHBondContact O-CB 3.21Å; W107-A110 PolarHBondContact O-N 3.34Å; W107-F111 HydrophobicContact CE3-CD2 4.4Å; W107-F111 AromaticContact CE3-CE2 3.93Å; W107-F111 HydrophobicContact CE3-CE2 3.93Å; W107-F111 HydrophobicContact CZ3-CD2 4.13Å; W107-F111 AromaticContact CZ3-CE2 3.63Å; W107-F111 HydrophobicContact CZ3-CE2 3.63Å; W107-F124 HydrophobicContact CB-CE2 4.39Å; W107-F124 HydrophobicContact CB-CZ 3.65Å
108Q93.1Very high88.3Confident4 Ų451.6 Ų51.62%0.01930%0.303CS..G310 helixtrans-59-30.1178.6-58.485.2-11.200112C52 V58 F77 L87 Q106 A110 F111C52-Q108 PolarHBondContact SG-NE2 3.03Å; C52-Q108 VanDerWaalsContact SG-NE2 3.37Å; V58-Q108 HydrophobicContact CG2-CG 3.96Å; F77-Q108 HydrophobicContact CB-CB 4.41Å; F77-Q108 HydrophobicContact CD1-CB 4.02Å; F77-Q108 HydrophobicContact CD2-CB 3.72Å; F77-Q108 HydrophobicContact CD2-CG 3.96Å; F77-Q108 HydrophobicContact CE1-CB 4.2Å; F77-Q108 HydrophobicContact CE2-CB 3.91Å; F77-Q108 HydrophobicContact CE2-CG 4.24Å; F77-Q108 HydrophobicContact CG-CB 3.79Å; F77-Q108 HydrophobicContact CG-CG 4.4Å; F77-Q108 HydrophobicContact CZ-CB 4.15Å; L87-Q108 HydrophobicContact CD1-CG 4.4Å; Q106-Q108 PolarHBondContact O-N 3.09Å; Q108-A110 PolarHBondContact O-N 3.28Å; Q108-A110 VanDerWaalsContact O-N 3.11Å; Q108-F111 PolarHBondContact O-N 3.06Å
109Y90.9Very high88.1Confident29 Ų2956.3 Ų56.311%0.11433%0.325CS..G310 helixtrans-63.7-15.5176.9-79.8-88.5000113.4S55 F77 Q106 W107 F111 T112 G115S55-Y109 WeakPolarHBondContact O-CE2 3.42Å; S55-Y109 PolarHBondContact O-OH 3.47Å; F77-Y109 HydrophobicContact CE1-CD1 4.45Å; F77-Y109 HydrophobicContact CE1-CD2 4.08Å; F77-Y109 HydrophobicContact CE1-CE1 4.24Å; F77-Y109 AromaticContact CE1-CE2 3.84Å; F77-Y109 HydrophobicContact CE1-CE2 3.84Å; F77-Y109 HydrophobicContact CE1-CG 4.39Å; F77-Y109 AromaticContact CE1-CZ 3.93Å; F77-Y109 HydrophobicContact CZ-CD2 4.02Å; F77-Y109 AromaticContact CZ-CE2 3.55Å; F77-Y109 HydrophobicContact CZ-CE2 3.55Å; F77-Y109 AromaticContact CZ-CZ 3.93Å; Q106-Y109 HydrophobicContact CB-CD2 3.89Å; Q106-Y109 HydrophobicContact CG-CD2 4.37Å; Q106-Y109 WeakPolarHBondContact O-CB 3.44Å; Q106-Y109 PolarHBondContact O-N 2.97Å; Q106-Y109 VanDerWaalsContact O-N 3.09Å; W107-Y109 PolarHBondContact O-N 3.39Å; Y109-F111 PolarHBondContact O-N 3.27Å; Y109-T112 HydrophobicContact CD1-CG2 4.3Å; Y109-T112 PolarHBondContact O-N 2.98Å; Y109-T112 VanDerWaalsContact O-N 3.14Å; Y109-T112 PolarHBondContact O-OG1 3.1Å; Y109-G115 CarbonylContact O-C 3.6Å; Y109-G115 VanDerWaalsContact O-CA 3.29Å; Y109-G115 WeakPolarHBondContact O-CA 3.41Å
110A89.7Confident88.1Confident46 Ų4651.9 Ų51.938%0.3830%0.303SS..G310 helixtrans-59.7-25.5170.600000113.2W107 Q108 I116W107-A110 WeakPolarHBondContact O-CB 3.21Å; W107-A110 PolarHBondContact O-N 3.34Å; Q108-A110 PolarHBondContact O-N 3.28Å; Q108-A110 VanDerWaalsContact O-N 3.11Å; A110-I116 HydrophobicContact CB-CD1 4Å; A110-I116 HydrophobicContact CB-CG1 4.07Å
111F88.4Confident88.1Confident84 Ų8455.8 Ų55.837%0.36832%0.316SS..G310 helixtrans-96.98-179.6-62.5-90.8000112.7L87 L97 H101 W107 Q108 Y109L87-F111 HydrophobicContact CD2-CB 3.88Å; L87-F111 HydrophobicContact CD2-CD2 3.95Å; L87-F111 HydrophobicContact CD2-CG 3.93Å; L97-F111 HydrophobicContact CD1-CE1 4.39Å; L97-F111 HydrophobicContact CD1-CE2 4.39Å; L97-F111 HydrophobicContact CD1-CZ 3.97Å; L97-F111 HydrophobicContact CD2-CZ 3.82Å; H101-F111 AromaticContact CE1-CE2 3.87Å; W107-F111 HydrophobicContact CE3-CD2 4.4Å; W107-F111 AromaticContact CE3-CE2 3.93Å; W107-F111 HydrophobicContact CE3-CE2 3.93Å; W107-F111 HydrophobicContact CZ3-CD2 4.13Å; W107-F111 AromaticContact CZ3-CE2 3.63Å; W107-F111 HydrophobicContact CZ3-CE2 3.63Å; Q108-F111 PolarHBondContact O-N 3.06Å; Y109-F111 PolarHBondContact O-N 3.27Å
112T88.9Confident88.2Confident14 Ų1461.9 Ų61.99%0.08634%0.344CS..SBendtrans-110.8157.2179.874.30000110.2F77 H85 Y109 Y114 G115F77-T112 HydrophobicContact CD1-CG2 4.06Å; F77-T112 HydrophobicContact CE1-CG2 4.3Å; H85-T112 HydrophobicContact CB-CG2 4.06Å; Y109-T112 HydrophobicContact CD1-CG2 4.3Å; Y109-T112 PolarHBondContact O-N 2.98Å; Y109-T112 VanDerWaalsContact O-N 3.14Å; Y109-T112 PolarHBondContact O-OG1 3.1Å; T112-Y114 PolarHBondContact O-N 3.21Å; T112-Y114 PolarHBondContact OG1-N 2.94Å; T112-G115 PolarHBondContact O-N 3.42Å; T112-G115 PolarHBondContact OG1-N 3.13Å
113S85.9Confident88Confident113 Ų11363 Ų6379%0.7934%0.343SS*.THydrogen-bonded Turntrans-64.5-18.317557.20000113.7
114Y88Confident87.9Confident134 Ų13462.7 Ų62.753%0.52533%0.329SS..THydrogen-bonded Turntrans-75.1-32.8177.7-50.2-71000112.5D79 H85 T112D79-Y114 WeakPolarHBondContact OD2-CE2 3.11Å; H85-Y114 AromaticContact CE1-CE2 4Å; T112-Y114 PolarHBondContact O-N 3.21Å; T112-Y114 PolarHBondContact OG1-N 2.94Å
115G86.6Confident87.6Confident28 Ų2865.8 Ų65.829%0.28935%0.352SS..  trans69.5179.9-173.300000114Y109 T112Y109-G115 CarbonylContact O-C 3.6Å; Y109-G115 VanDerWaalsContact O-CA 3.29Å; Y109-G115 WeakPolarHBondContact O-CA 3.41Å; T112-G115 PolarHBondContact O-N 3.42Å; T112-G115 PolarHBondContact OG1-N 3.13Å
116I88.2Confident87.2Confident36 Ų3668.1 Ų68.119%0.18536%0.357CS..  trans-71.7138.5-175.7-59.7166000111.1A110 A120 K121 F124A110-I116 HydrophobicContact CB-CD1 4Å; A110-I116 HydrophobicContact CB-CG1 4.07Å; I116-A120 HydrophobicContact CG2-CB 3.23Å; I116-K121 HydrophobicContact CB-CG 4.27Å; I116-K121 HydrophobicContact CG2-CG 4.01Å; I116-K121 WeakPolarHBondContact O-CE 3.4Å; I116-F124 HydrophobicContact CD1-CD2 4.06Å; I116-F124 HydrophobicContact CD1-CE2 3.86Å; I116-F124 HydrophobicContact CD1-CZ 4.19Å; I116-F124 HydrophobicContact CG2-CD2 4.08Å; I116-F124 HydrophobicContact CG2-CE2 4.13Å
117S87.1Confident86.5Confident34 Ų3469.8 Ų69.824%0.23836%0.362CS..  trans-63.4156176.777.10000112.9Q106 Q119 A120 K121Q106-S117 VanDerWaalsContact OE1-CB 3.26Å; Q106-S117 PolarHBondContact OE1-OG 2.89Å; S117-Q119 VanDerWaalsContact C-N 3.26Å; S117-Q119 PolarHBondContact O-N 3.4Å; S117-A120 PolarHBondContact O-N 3.01Å; S117-A120 VanDerWaalsContact O-N 3.15Å; S117-A120 WeakPolarHBondContact OG-CB 3.4Å; S117-A120 PolarHBondContact OG-N 3.15Å; S117-K121 WeakPolarHBondContact O-CG 3.49Å; S117-K121 PolarHBondContact O-N 3.23Å
118P87.3Confident85.2Confident105 Ų10576.1 Ų76.168%0.68239%0.39SS*.Hα-helixtrans-56.2-38.5177.3-26.335.1000113.8K121 Q122P118-K121 WeakPolarHBondContact O-CB 3.24Å; P118-K121 PolarHBondContact O-N 3.26Å; P118-Q122 PolarHBondContact O-N 3.48Å
119Q85.6Confident83.7Confident125 Ų12581.7 Ų81.758%0.58443%0.426SS*.Hα-helixtrans-65.8-45.6177-172.9-176.923.700111.1S117 K121 Q122 W123S117-Q119 VanDerWaalsContact C-N 3.26Å; S117-Q119 PolarHBondContact O-N 3.4Å; Q119-K121 VanDerWaalsContact C-N 3.33Å; Q119-K121 PolarHBondContact O-N 3.18Å; Q119-Q122 WeakPolarHBondContact O-CB 3.3Å; Q119-Q122 PolarHBondContact O-N 3.45Å; Q119-W123 PolarHBondContact O-N 3.26Å
120A86.3Confident82.2Confident2 Ų286.2 Ų86.22%0.01745%0.451CS..Hα-helixtrans-62.2-40.617600000111.5Q106 I116 S117 Q122 W123 F124Q106-A120 HydrophobicContact CB-CB 4.2Å; I116-A120 HydrophobicContact CG2-CB 3.23Å; S117-A120 PolarHBondContact O-N 3.01Å; S117-A120 VanDerWaalsContact O-N 3.15Å; S117-A120 WeakPolarHBondContact OG-CB 3.4Å; S117-A120 PolarHBondContact OG-N 3.15Å; A120-Q122 PolarHBondContact O-N 3.04Å; A120-W123 WeakPolarHBondContact O-CB 3.26Å; A120-W123 PolarHBondContact O-N 3.4Å; A120-F124 VanDerWaalsContact O-CD2 3.24Å; A120-F124 WeakPolarHBondContact O-CD2 3.35Å; A120-F124 PolarHBondContact O-N 3.19Å
121K86.2Confident80.7Confident126 Ų12685.6 Ų85.655%0.54844%0.442SS..Hα-helixtrans-55.9-34.5174.4-74.2174.6178.81700113.3I116 S117 P118 Q119 F124 S125I116-K121 HydrophobicContact CB-CG 4.27Å; I116-K121 HydrophobicContact CG2-CG 4.01Å; I116-K121 WeakPolarHBondContact O-CE 3.4Å; S117-K121 WeakPolarHBondContact O-CG 3.49Å; S117-K121 PolarHBondContact O-N 3.23Å; P118-K121 WeakPolarHBondContact O-CB 3.24Å; P118-K121 PolarHBondContact O-N 3.26Å; Q119-K121 VanDerWaalsContact C-N 3.33Å; Q119-K121 PolarHBondContact O-N 3.18Å; K121-F124 PolarHBondContact O-N 2.96Å; K121-S125 WeakPolarHBondContact O-CB 3.44Å; K121-S125 PolarHBondContact O-N 3.02Å
122Q86.8Confident79.2Confident138 Ų13888.9 Ų88.965%0.64545%0.454SS*.Hα-helixtrans-64-45175.4-68.2175.3-30.300111.5P118 Q119 A120 S125 M126P118-Q122 PolarHBondContact O-N 3.48Å; Q119-Q122 WeakPolarHBondContact O-CB 3.3Å; Q119-Q122 PolarHBondContact O-N 3.45Å; A120-Q122 PolarHBondContact O-N 3.04Å; Q122-S125 PolarHBondContact O-N 3.27Å; Q122-M126 PolarHBondContact O-N 2.84Å
123W83.9Confident77.6Confident109 Ų10993 Ų9341%0.41348%0.475SS..Hα-helixtrans-60.7-50174.4-61.1109.9000111.1L104 Q119 A120 S125 M126 Y127L104-W123 HydrophobicContact CD2-CB 4.4Å; Q119-W123 PolarHBondContact O-N 3.26Å; A120-W123 WeakPolarHBondContact O-CB 3.26Å; A120-W123 PolarHBondContact O-N 3.4Å; W123-S125 VanDerWaalsContact C-N 3.25Å; W123-S125 PolarHBondContact O-N 3.27Å; W123-M126 WeakPolarHBondContact O-CB 3.49Å; W123-M126 PolarHBondContact O-N 3.42Å; W123-Y127 HydrophobicContact CE3-CE2 4.35Å; W123-Y127 WeakPolarHBondContact O-CD2 3.24Å; W123-Y127 PolarHBondContact O-N 2.8Å
124F83.1Confident76.1Confident35 Ų3590.7 Ų90.715%0.15446%0.456CS..Hα-helixtrans-56.4-39.5175.2-81.9-80.6000112.7H101 L104 W107 I116 A120 K121 Y127 K128H101-F124 HydrophobicContact CB-CE1 4.44Å; H101-F124 AromaticContact CD2-CE1 3.84Å; L104-F124 HydrophobicContact CB-CE1 4.48Å; L104-F124 HydrophobicContact CB-CE2 4.18Å; L104-F124 HydrophobicContact CB-CZ 4.01Å; L104-F124 HydrophobicContact CD1-CD1 3.74Å; L104-F124 HydrophobicContact CD1-CD2 4.29Å; L104-F124 HydrophobicContact CD1-CE1 3.79Å; L104-F124 HydrophobicContact CD1-CE2 4.33Å; L104-F124 HydrophobicContact CD1-CG 3.99Å; L104-F124 HydrophobicContact CD1-CZ 4.09Å; W107-F124 HydrophobicContact CB-CE2 4.39Å; W107-F124 HydrophobicContact CB-CZ 3.65Å; I116-F124 HydrophobicContact CD1-CD2 4.06Å; I116-F124 HydrophobicContact CD1-CE2 3.86Å; I116-F124 HydrophobicContact CD1-CZ 4.19Å; I116-F124 HydrophobicContact CG2-CD2 4.08Å; I116-F124 HydrophobicContact CG2-CE2 4.13Å; A120-F124 VanDerWaalsContact O-CD2 3.24Å; A120-F124 WeakPolarHBondContact O-CD2 3.35Å; A120-F124 PolarHBondContact O-N 3.19Å; K121-F124 PolarHBondContact O-N 2.96Å; F124-Y127 CarbonylContact O-C 3.59Å; F124-Y127 PolarHBondContact O-N 2.99Å; F124-K128 WeakPolarHBondContact O-CA 3.23Å; F124-K128 WeakPolarHBondContact O-CB 3.38Å; F124-K128 PolarHBondContact O-N 3.2Å
125S81.9Confident74.3Confident81 Ų8190.6 Ų90.657%0.56647%0.465SS*.Hα-helixtrans-67.1-36.9177.3-169.50000112.5K121 Q122 W123 K128K121-S125 WeakPolarHBondContact O-CB 3.44Å; K121-S125 PolarHBondContact O-N 3.02Å; Q122-S125 PolarHBondContact O-N 3.27Å; W123-S125 VanDerWaalsContact C-N 3.25Å; W123-S125 PolarHBondContact O-N 3.27Å; S125-K128 VanDerWaalsContact O-CB 3.27Å; S125-K128 WeakPolarHBondContact O-CB 3.25Å; S125-K128 PolarHBondContact O-N 2.89Å
126M81.3Confident72.5Confident130 Ų13093.8 Ų93.864%0.6448%0.475SS*.Hα-helixtrans-66.4-39.3177.2-177.3177.2-81.900111.3Q122 W123Q122-M126 PolarHBondContact O-N 2.84Å; W123-M126 WeakPolarHBondContact O-CB 3.49Å; W123-M126 PolarHBondContact O-N 3.42Å
127Y75.4Confident70.6Confident89 Ų8996.1 Ų96.135%0.34949%0.487SS..SBendtrans-91.45.4177.6-64.2-79.3000113.4L102 L104 W123 F124 I130 T131L102-Y127 HydrophobicContact CD1-CD1 4.4Å; L102-Y127 HydrophobicContact CD1-CG 4.42Å; L104-Y127 HydrophobicContact CD1-CD2 4.21Å; L104-Y127 HydrophobicContact CD2-CD2 3.72Å; L104-Y127 HydrophobicContact CD2-CE2 3.88Å; W123-Y127 HydrophobicContact CE3-CE2 4.35Å; W123-Y127 WeakPolarHBondContact O-CD2 3.24Å; W123-Y127 PolarHBondContact O-N 2.8Å; F124-Y127 CarbonylContact O-C 3.59Å; F124-Y127 PolarHBondContact O-N 2.99Å; Y127-I130 CarbonylContact O-C 3.51Å; Y127-I130 WeakPolarHBondContact O-CA 3.33Å; Y127-I130 PolarHBondContact O-N 3.06Å; Y127-T131 PolarHBondContact O-N 3.02Å; Y127-T131 PolarHBondContact O-OG1 2.6Å
128K65.3Low68.6Low137 Ų137100.4 Ų100.460%0.59651%0.512SS*.THydrogen-bonded Turntrans-55-38.1-180-162.6175.4-179.7179.90114.4F124 S125 I130 T131F124-K128 WeakPolarHBondContact O-CA 3.23Å; F124-K128 WeakPolarHBondContact O-CB 3.38Å; F124-K128 PolarHBondContact O-N 3.2Å; S125-K128 VanDerWaalsContact O-CB 3.27Å; S125-K128 WeakPolarHBondContact O-CB 3.25Å; S125-K128 PolarHBondContact O-N 2.89Å; K128-I130 PolarHBondContact O-N 3.31Å; K128-I130 VanDerWaalsContact O-N 3.15Å; K128-T131 VanDerWaalsContact CA-OG1 3.24Å; K128-T131 WeakPolarHBondContact CA-OG1 3.46Å; K128-T131 PolarHBondContact O-N 3.5Å
129P60.8Low66.4Low120 Ų120103 Ų10378%0.77952%0.515SS*.THydrogen-bonded Turntrans-64.1-16.1174.9-20.432.6000114
130I60.7Low64.2Low125 Ų125104.6 Ų104.664%0.64152%0.523SS*.THydrogen-bonded Turntrans-114.6-11.9-172.9-49.6173.9000111.1Y127 K128Y127-I130 CarbonylContact O-C 3.51Å; Y127-I130 WeakPolarHBondContact O-CA 3.33Å; Y127-I130 PolarHBondContact O-N 3.06Å; K128-I130 PolarHBondContact O-N 3.31Å; K128-I130 VanDerWaalsContact O-N 3.15Å
131T56.4Low62Low32 Ų32111.6 Ų111.620%0.19657%0.565CS.*SBendtrans-99133.7-178.742.80000111L102 Y127 K128L102-T131 HydrophobicContact CD1-CG2 3.54Å; L102-T131 HydrophobicContact CG-CG2 4.03Å; Y127-T131 PolarHBondContact O-N 3.02Å; Y127-T131 PolarHBondContact O-OG1 2.6Å; K128-T131 VanDerWaalsContact CA-OG1 3.24Å; K128-T131 WeakPolarHBondContact CA-OG1 3.46Å; K128-T131 PolarHBondContact O-N 3.5Å
132Y56.9Low59.8Low154 Ų154112 Ų11260%0.60457%0.573SS**  trans-69.9142.4177-166.1-93.8000110.2T134 L136Y132-T134 PolarHBondContact O-N 3.07Å; Y132-T134 VanDerWaalsContact O-N 3.14Å; Y132-L136 HydrophobicContact CE1-CB 4.09Å; Y132-L136 HydrophobicContact CE1-CD1 4.1Å
133N56.1Low57.7Low100 Ų100110.1 Ų110.154%0.53558%0.575SS.*  trans-67.5111.4177.4-100.5-66000110.4N135 L136N133-N135 PolarHBondContact O-N 2.84Å; N133-L136 HydrophobicContact CB-CD1 4.34Å; N133-L136 PolarHBondContact O-N 3.4Å
134T53.5Low55.7Low64 Ų64113.4 Ų113.439%0.39359%0.593SS.*G310 helixtrans-61.3-24178.18.40000113.7Y132 L136 L137Y132-T134 PolarHBondContact O-N 3.07Å; Y132-T134 VanDerWaalsContact O-N 3.14Å; T134-L136 PolarHBondContact O-N 3.31Å; T134-L137 HydrophobicContact CG2-CD1 4.11Å; T134-L137 PolarHBondContact O-N 3.46Å
135N52.1Low53.9Low132 Ų132116.9 Ų116.971%0.70662%0.617SS**G310 helixtrans-62-12.5176.9-67.9-14.2000114.1N133 T138N133-N135 PolarHBondContact O-N 2.84Å; N135-T138 PolarHBondContact O-OG1 3.14Å
136L47.5Very low52.4Low96 Ų96118 Ų11850%0.50362%0.616SS.*G310 helixtrans-91.4-12.5176.6-67167.8000113Y132 N133 T134 T138Y132-L136 HydrophobicContact CE1-CB 4.09Å; Y132-L136 HydrophobicContact CE1-CD1 4.1Å; N133-L136 HydrophobicContact CB-CD1 4.34Å; N133-L136 PolarHBondContact O-N 3.4Å; T134-L136 PolarHBondContact O-N 3.31Å; L136-T138 VanDerWaalsContact C-N 3.33Å
137L47.6Very low51.6Low85 Ų85121.2 Ų121.245%0.44563%0.627SS.*THydrogen-bonded Turntrans-81.7-12-179-69.7171.8000113.4T134 E139T134-L137 HydrophobicContact CG2-CD1 4.11Å; T134-L137 PolarHBondContact O-N 3.46Å; L137-E139 PolarHBondContact O-N 3.04Å
138T46.2Very low50.4Low124 Ų124122.4 Ų122.476%0.76164%0.639SS**THydrogen-bonded Turntrans-74.6-9.7176.140.50000113.5N135 L136N135-T138 PolarHBondContact O-OG1 3.14Å; L136-T138 VanDerWaalsContact C-N 3.33Å
139E41.9Very low49.9Very low160 Ų160119 Ų11975%0.74863%0.627SS**SBendtrans-114.7-6.9-170.2-72.8-168.4156.700117.1L137L137-E139 PolarHBondContact O-N 3.04Å
140E38.2Very low49.6Very low158 Ų158117.8 Ų117.874%0.73862%0.619SS**  trans-130.993.8-178.5-66.3-171.4177.200113.2D142E140-D142 PolarHBondContact O-N 3.06Å
141T41.1Very low49.6Very low148 Ų148116 Ų11691%0.90862%0.618SS**  trans-69.243.1156.542.60000111.7S143T141-S143 PolarHBondContact O-N 2.97Å
142D39.1Very low49.9Very low134 Ų134122.1 Ų122.172%0.71764%0.641SS**  trans-90108.8169.6-103-5.5000108.4E140 F144E140-D142 PolarHBondContact O-N 3.06Å; D142-F144 VanDerWaalsContact C-N 3.35Å; D142-F144 PolarHBondContact O-N 2.88Å
143S42.9Very low49.7Very low99 Ų99118.7 Ų118.769%0.69264%0.636SS**  trans-50.796.4171.853.90000109.6T141 V145T141-S143 PolarHBondContact O-N 2.97Å; S143-V145 PolarHBondContact O-N 3.48Å
144F41.4Very low49.5Very low179 Ų179121.4 Ų121.479%0.78564%0.644SS**  trans-71.880.8174.1-166-91.4000108.5D142 N146D142-F144 VanDerWaalsContact C-N 3.35Å; D142-F144 PolarHBondContact O-N 2.88Å; F144-N146 PolarHBondContact O-N 3.07Å
145V46.4Very low49.5Very low107 Ų107127.1 Ų127.165%0.64866%0.663SS**  trans-76.5110.8172.3-176.60000107S143 K147S143-V145 PolarHBondContact O-N 3.48Å; V145-K147 PolarHBondContact O-N 3.36Å
146N49.6Very low49.3Very low105 Ų105125.5 Ų125.556%0.56166%0.662SS**  trans-60.8105.4175.3-169.8-7.4000109.5F144 L148F144-N146 PolarHBondContact O-N 3.07Å; N146-L148 PolarHBondContact O-N 3.26Å; N146-L148 VanDerWaalsContact OD1-CD1 3.3Å; N146-L148 WeakPolarHBondContact OD1-CD1 3.44Å; N146-L148 VanDerWaalsContact OD1-CG 3.24Å; N146-L148 WeakPolarHBondContact OD1-CG 3.49Å; N146-L148 PolarHBondContact OD1-N 3.25Å
147K63.8Low49.3Very low198 Ų198130.4 Ų130.486%0.86168%0.679SS**  trans-78.127.5-178-60.5-163.6-179.3-1760113.6V145 D149V145-K147 PolarHBondContact O-N 3.36Å; K147-D149 PolarHBondContact O-N 2.96Å
148L51.2Low49.2Very low114 Ų114133 Ų13360%0.59769%0.694SS**  trans-79.5110.6173.9-75.9170.1000109.1N146 P150 V153N146-L148 PolarHBondContact O-N 3.26Å; N146-L148 VanDerWaalsContact OD1-CD1 3.3Å; N146-L148 WeakPolarHBondContact OD1-CD1 3.44Å; N146-L148 VanDerWaalsContact OD1-CG 3.24Å; N146-L148 WeakPolarHBondContact OD1-CG 3.49Å; N146-L148 PolarHBondContact OD1-N 3.25Å; L148-P150 VanDerWaalsContact O-CD 3.23Å; L148-P150 WeakPolarHBondContact O-CD 3.2Å; L148-V153 HydrophobicContact CD2-CG2 4.41Å
149D54Low49.1Very low66 Ų66136.4 Ų136.435%0.35370%0.698SS.*  trans-75.1109.2173.5-179.9-7.9000109.9K147 S151 K152 V153K147-D149 PolarHBondContact O-N 2.96Å; D149-S151 VanDerWaalsContact CG-OG 3.24Å; D149-S151 PolarHBondContact O-N 2.91Å; D149-S151 VanDerWaalsContact O-N 3.13Å; D149-S151 WeakPolarHBondContact OD1-CB 3.24Å; D149-S151 PolarHBondContact OD1-N 3Å; D149-S151 VanDerWaalsContact OD1-N 3.1Å; D149-S151 PolarHBondContact OD1-OG 2.97Å; D149-S151 PolarHBondContact OD2-OG 2.79Å; D149-K152 HydrophobicContact CB-CB 4.41Å; D149-K152 HydrophobicContact CB-CD 4.18Å; D149-K152 HydrophobicContact CB-CG 4.27Å; D149-K152 PolarHBondContact O-N 3.42Å; D149-K152 VanDerWaalsContact O-N 3.07Å; D149-K152 WeakPolarHBondContact OD2-CD 3.46Å; D149-K152 VanDerWaalsContact OD2-CE 3.25Å; D149-K152 WeakPolarHBondContact OD2-CE 3.27Å; D149-K152 IonicContact OD2-NZ 3.9Å; D149-V153 PolarHBondContact O-N 3.05Å
150P55.2Low49.3Very low93 Ų93136 Ų13660%0.60470%0.699SS**Hα-helixtrans-60.4-27.6-175.2-21.934000113L148 K152 V153 F154L148-P150 VanDerWaalsContact O-CD 3.23Å; L148-P150 WeakPolarHBondContact O-CD 3.2Å; P150-K152 VanDerWaalsContact C-N 3.28Å; P150-K152 PolarHBondContact O-N 2.79Å; P150-V153 PolarHBondContact O-N 2.97Å; P150-F154 PolarHBondContact O-N 3.35Å
151S60.1Low49.6Very low88 Ų88134.9 Ų134.962%0.61570%0.703SS**Hα-helixtrans-70.6-23.8-179.674.10000113.1D149D149-S151 VanDerWaalsContact CG-OG 3.24Å; D149-S151 PolarHBondContact O-N 2.91Å; D149-S151 VanDerWaalsContact O-N 3.13Å; D149-S151 WeakPolarHBondContact OD1-CB 3.24Å; D149-S151 PolarHBondContact OD1-N 3Å; D149-S151 VanDerWaalsContact OD1-N 3.1Å; D149-S151 PolarHBondContact OD1-OG 2.97Å; D149-S151 PolarHBondContact OD2-OG 2.79Å
152K62.4Low49.6Very low160 Ų160138.2 Ų138.270%0.69671%0.713SS**Hα-helixtrans-89.8-28.3177.5-67.6-178.1-175.71730112.7D149 P150D149-K152 HydrophobicContact CB-CB 4.41Å; D149-K152 HydrophobicContact CB-CD 4.18Å; D149-K152 HydrophobicContact CB-CG 4.27Å; D149-K152 PolarHBondContact O-N 3.42Å; D149-K152 VanDerWaalsContact O-N 3.07Å; D149-K152 WeakPolarHBondContact OD2-CD 3.46Å; D149-K152 VanDerWaalsContact OD2-CE 3.25Å; D149-K152 WeakPolarHBondContact OD2-CE 3.27Å; D149-K152 IonicContact OD2-NZ 3.9Å; P150-K152 VanDerWaalsContact C-N 3.28Å; P150-K152 PolarHBondContact O-N 2.79Å
153V53.9Low50.2Low82 Ų82138.4 Ų138.450%0.49771%0.713SS.*Hα-helixtrans-80-40.4-176.7177.80000111.3L148 D149 P150L148-V153 HydrophobicContact CD2-CG2 4.41Å; D149-V153 PolarHBondContact O-N 3.05Å; P150-V153 PolarHBondContact O-N 2.97Å
154F52.2Low50.6Low158 Ų158140.5 Ų140.569%0.69371%0.714SS**  trans-108.383.7179.6-59.4-76.8000110.5P150 S156P150-F154 PolarHBondContact O-N 3.35Å; F154-S156 PolarHBondContact O-N 3.2Å
155K51.8Low51.1Low183 Ų183138.3 Ų138.380%0.79671%0.71SS**  trans-68.695.1167.8-70.7-174.8-179.3179.60109.1K157K155-K157 PolarHBondContact O-N 3.42Å
156S49.8Very low51.3Low98 Ų98140.2 Ų140.269%0.68571%0.713SS**  trans-63.6102164.8500000108.6F154 N158F154-S156 PolarHBondContact O-N 3.2Å; S156-N158 VanDerWaalsContact C-N 3.34Å; S156-N158 PolarHBondContact O-N 3.23Å
157K46.8Very low51.4Low199 Ų199142.4 Ų142.487%0.86572%0.723SS**  trans-68.398.5163.1-73.6-176.2178.4178.80106.8K155 K159K155-K157 PolarHBondContact O-N 3.42Å; K157-K159 PolarHBondContact O-N 3.15Å
158N45.1Very low50.6Low139 Ų139138.7 Ų138.774%0.74371%0.714SS**  trans-57.6113.8165.9-75-23.5000107.7S156 I160S156-N158 VanDerWaalsContact C-N 3.34Å; S156-N158 PolarHBondContact O-N 3.23Å; N158-I160 PolarHBondContact O-N 3.27Å; N158-I160 VanDerWaalsContact O-N 3.15Å
159K44.9Very low50.6Low197 Ų197140.4 Ų140.486%0.85772%0.722SS**  trans-63.6111.7162.4-88.9-177.8174.5179.20106.4K157 V161K157-K159 PolarHBondContact O-N 3.15Å; K159-V161 PolarHBondContact O-N 3.45Å
160I45.3Very low50.3Low150 Ų150146.2 Ų146.277%0.76975%0.751SS**  trans-64.9112.9163-64.5169.8000105.6N158 I162N158-I160 PolarHBondContact O-N 3.27Å; N158-I160 VanDerWaalsContact O-N 3.15Å; I160-I162 HydrophobicContact CG2-CD1 4.04Å; I160-I162 HydrophobicContact CG2-CG1 3.88Å
161V44.3Very low49.9Very low136 Ų136150.6 Ų150.682%0.82476%0.763SS**  trans-83.4111.9164.6178.90000105.8K159K159-V161 PolarHBondContact O-N 3.45Å
162I42.5Very low49Very low217 Ų217156.3 Ų156.3100%1.11378%0.776SS**  trans-126.50153.1-61.5172000105.4I160I160-I162 HydrophobicContact CG2-CD1 4.04Å; I160-I162 HydrophobicContact CG2-CG1 3.88Å

Retrieved 162 of 162 residues in 1103.5 ms (Link to these results)

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