A0A087WX43_HUMAN Loading...

UDP-N-acetylglucosamine transferase subunit ALG13

AlphaFold DB , UniProt , Accession A0A087WX43, Species HUMAN (Homo sapiens, Human), Gene ALG13, Length 133 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M74.3Confident86.8Confident186 Ų18642.3 Ų42.392%0.91623%0.228SC*.  0126.50-64.2-176.682.700106.1N35M1-N35 WeakPolarHBondContact CA-OD1 3.24Å; M1-N35 WeakPolarHBondContact CB-ND2 3.44Å; M1-N35 WeakPolarHBondContact CB-OD1 3.33Å; M1-N35 WeakPolarHBondContact CG-ND2 3.3Å
2K90.4Very high86.4Confident108 Ų10843.7 Ų43.747%0.4724%0.243SC..  trans-99.7127.4-177.2-75.4-174.1179.5179.40110.1Y34 N35 R36 D75K2-Y34 HydrophobicContact CB-CD1 3.63Å; K2-Y34 HydrophobicContact CB-CE1 4.18Å; K2-Y34 HydrophobicContact CB-CG 4.32Å; K2-Y34 HydrophobicContact CD-CE1 4.49Å; K2-Y34 WeakPolarHBondContact O-CA 3.49Å; K2-N35 PolarHBondContact N-OD1 3.46Å; K2-N35 PolarHBondContact O-N 3.4Å; K2-N35 PolarHBondContact O-OD1 3.15Å; K2-N35 VanDerWaalsContact O-OD1 3.04Å; K2-R36 PolarHBondContact O-N 3.34Å; K2-D75 WeakPolarHBondContact CA-OD2 3.49Å
3C93.1Very high86.2Confident12 Ų1240.7 Ų40.78%0.08123%0.226CC..EExtended strand (participates in β ladder)trans-115.1130.2-172.4-172.60000112.1R36 D75 L76C3-R36 WeakPolarHBondContact CA-O 3.32Å; C3-R36 HydrophobicContact CB-CB 4.35Å; C3-D75 PolarHBondContact N-OD2 2.94Å; C3-D75 PolarHBondContact O-N 2.83Å; C3-L76 PolarHBondContact O-N 3.18Å
4V93.3Very high86.1Confident2 Ų240.5 Ų40.51%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-99.9129.4166.7-176.10000108.7V6 I29 Y34 R36 L37 I38 L76 I78V4-V6 HydrophobicContact CG1-CG2 4.23Å; V4-I29 HydrophobicContact CG2-CG2 4.03Å; V4-Y34 HydrophobicContact CG2-CD1 3.34Å; V4-Y34 HydrophobicContact CG2-CD2 3.9Å; V4-Y34 HydrophobicContact CG2-CE1 3.75Å; V4-Y34 HydrophobicContact CG2-CE2 4.25Å; V4-Y34 HydrophobicContact CG2-CG 3.43Å; V4-Y34 VanDerWaalsContact CG2-CG 3.43Å; V4-R36 PolarHBondContact N-O 3.09Å; V4-L37 HydrophobicContact CB-CD1 3.87Å; V4-L37 HydrophobicContact CG1-CD1 3.88Å; V4-L37 WeakPolarHBondContact O-CA 3.46Å; V4-I38 PolarHBondContact O-N 3.3Å; V4-L76 WeakPolarHBondContact CA-O 3.47Å; V4-L76 HydrophobicContact CG1-CD2 4.29Å; V4-L76 HydrophobicContact CG1-CG 4.48Å; V4-L76 HydrophobicContact CG2-CB 4.38Å; V4-L76 HydrophobicContact CG2-CD2 4.34Å; V4-I78 HydrophobicContact CG1-CD1 3.89Å; V4-I78 HydrophobicContact CG1-CG1 4.12Å
5F93.4Very high85.9Confident0 Ų041.6 Ų41.60%023%0.23CC..EExtended strand (participates in β ladder)trans-112.4123.9174177.4-122000109.9T7 I38 Q40 Y61 L67 D70 I71 A74 L76 V77 I78F5-T7 HydrophobicContact CD1-CG2 4.37Å; F5-T7 HydrophobicContact CE1-CG2 3.82Å; F5-T7 HydrophobicContact CZ-CG2 4.38Å; F5-I38 HydrophobicContact CD2-CB 3.88Å; F5-I38 HydrophobicContact CD2-CG2 3.69Å; F5-I38 HydrophobicContact CE2-CG2 3.92Å; F5-Q40 HydrophobicContact CE2-CB 3.82Å; F5-Q40 HydrophobicContact CZ-CB 3.88Å; F5-Y61 HydrophobicContact CE2-CE1 4.32Å; F5-Y61 VanDerWaalsContact CE2-OH 3.31Å; F5-Y61 WeakPolarHBondContact CE2-OH 3.43Å; F5-Y61 WeakPolarHBondContact CZ-OH 3.37Å; F5-L67 HydrophobicContact CZ-CD2 4.24Å; F5-D70 HydrophobicContact CD1-CB 4.4Å; F5-D70 HydrophobicContact CD2-CB 3.93Å; F5-D70 HydrophobicContact CE1-CB 4.32Å; F5-D70 HydrophobicContact CE2-CB 3.84Å; F5-D70 HydrophobicContact CG-CB 4.22Å; F5-D70 HydrophobicContact CZ-CB 4.04Å; F5-I71 HydrophobicContact CD1-CG1 3.88Å; F5-I71 HydrophobicContact CE1-CG1 3.76Å; F5-A74 HydrophobicContact CB-CB 3.65Å; F5-L76 PolarHBondContact N-O 2.87Å; F5-V77 HydrophobicContact CD1-CG1 4.09Å; F5-V77 HydrophobicContact CD1-CG2 4.4Å; F5-V77 CarbonylContact O-C 3.57Å; F5-V77 VanDerWaalsContact O-CA 3.3Å; F5-V77 WeakPolarHBondContact O-CA 3.24Å; F5-I78 PolarHBondContact O-N 3.34Å
6V91.8Very high85.8Confident0 Ų039.4 Ų39.40%022%0.218CC..EExtended strand (participates in β ladder)trans-112.6130.5177.3-171.50000109.1V4 L16 V20 L37 I38 L39 Q40 I78V4-V6 HydrophobicContact CG1-CG2 4.23Å; V6-L16 HydrophobicContact CG1-CD2 4.24Å; V6-L16 HydrophobicContact CG1-CG 4.5Å; V6-V20 HydrophobicContact CG1-CG2 4.44Å; V6-L37 HydrophobicContact CG2-CD1 3.64Å; V6-I38 PolarHBondContact N-O 3.14Å; V6-L39 HydrophobicContact CB-CD2 3.51Å; V6-L39 HydrophobicContact CG1-CD2 4.21Å; V6-L39 HydrophobicContact CG2-CD2 3.54Å; V6-Q40 PolarHBondContact O-N 3.14Å; V6-I78 CarbonylContact C-O 3.39Å; V6-I78 VanDerWaalsContact CA-O 3.22Å; V6-I78 WeakPolarHBondContact CA-O 3.41Å; V6-I78 HydrophobicContact CB-CB 4.42Å; V6-I78 HydrophobicContact CG1-CB 4.19Å; V6-I78 HydrophobicContact CG1-CG2 4.3Å; V6-I78 HydrophobicContact CG2-CB 4.07Å; V6-I78 HydrophobicContact CG2-CD1 4.19Å; V6-I78 HydrophobicContact CG2-CG1 4.41Å
7T90.1Very high86Confident0 Ų037.2 Ų37.20%021%0.205CC..EExtended strand (participates in β ladder)trans-136.2129.9179.8171.70000111.8F5 G9 Q40 V77 I78 S79 H80F5-T7 HydrophobicContact CD1-CG2 4.37Å; F5-T7 HydrophobicContact CE1-CG2 3.82Å; F5-T7 HydrophobicContact CZ-CG2 4.38Å; T7-G9 PolarHBondContact OG1-N 3Å; T7-Q40 PolarHBondContact OG1-OE1 2.88Å; T7-V77 HydrophobicContact CG2-CG1 4.42Å; T7-I78 PolarHBondContact N-O 2.85Å; T7-S79 WeakPolarHBondContact O-CA 3.27Å; T7-H80 PolarHBondContact O-N 3.15Å
8V86.8Confident86.1Confident2 Ų237.6 Ų37.61%0.01222%0.215CC..  trans-102.13.9170.4-60.20000112.3T11 F13 L16 I17 Q40 H80V8-T11 WeakPolarHBondContact CG2-O 3.36Å; V8-T11 PolarHBondContact O-N 2.91Å; V8-T11 PolarHBondContact O-OG1 3.32Å; V8-F13 HydrophobicContact CB-CB 4.21Å; V8-F13 HydrophobicContact CG1-CB 3.81Å; V8-F13 HydrophobicContact CG1-CD1 4.46Å; V8-L16 HydrophobicContact CG1-CD2 3.88Å; V8-I17 HydrophobicContact CG1-CD1 3.76Å; V8-I17 HydrophobicContact CG1-CG1 4.37Å; V8-Q40 PolarHBondContact N-O 3.19Å; V8-H80 HydrophobicContact CG1-CB 4.46Å
9G83.4Confident86.1Confident16 Ų1638.3 Ų38.317%0.16522%0.221CC..THydrogen-bonded Turntrans61.9-139-173.500000111.5T7 T11 Q40 G42T7-G9 PolarHBondContact OG1-N 3Å; G9-T11 VanDerWaalsContact C-N 3.33Å; G9-Q40 PolarHBondContact O-NE2 2.83Å; G9-G42 WeakPolarHBondContact O-CA 3.26Å
10T79.4Confident86.1Confident95 Ų9537.1 Ų37.158%0.58321%0.214SC*.THydrogen-bonded Turntrans-87.1-4.817956.40000113.4R43T10-R43 PolarHBondContact O-NE 3.32Å
11T79.3Confident86.1Confident44 Ų4436.6 Ų36.627%0.2721%0.213SC..SBendtrans-85.4159.6-178.565.30000111.9V8 G9 G42 H80V8-T11 WeakPolarHBondContact CG2-O 3.36Å; V8-T11 PolarHBondContact O-N 2.91Å; V8-T11 PolarHBondContact O-OG1 3.32Å; G9-T11 VanDerWaalsContact C-N 3.33Å; T11-G42 WeakPolarHBondContact O-CA 3.32Å; T11-H80 PolarHBondContact OG1-CE1 2.92Å; T11-H80 PolarHBondContact OG1-ND1 3.43Å
12S81.3Confident86.8Confident59 Ų5929.2 Ų29.241%0.41318%0.182SC..  trans-89.9124.3171.753.20000109.7
13F84Confident86.6Confident5 Ų528.5 Ų28.52%0.02219%0.188CC..  trans-140.968.6170.8-167.3-173.8000110.5V8 D15 L16 I17 H80 V99 N101V8-F13 HydrophobicContact CB-CB 4.21Å; V8-F13 HydrophobicContact CG1-CB 3.81Å; V8-F13 HydrophobicContact CG1-CD1 4.46Å; F13-D15 HydrophobicContact CD2-CB 4.15Å; F13-D15 HydrophobicContact CE2-CB 3.89Å; F13-D15 PolarHBondContact O-N 3.3Å; F13-L16 HydrophobicContact CB-CB 4.4Å; F13-L16 HydrophobicContact CD1-CB 3.45Å; F13-L16 VanDerWaalsContact CD1-CB 3.45Å; F13-L16 HydrophobicContact CD1-CD2 3.84Å; F13-L16 HydrophobicContact CD1-CG 4.29Å; F13-L16 HydrophobicContact CD2-CB 4Å; F13-L16 HydrophobicContact CE1-CB 3.63Å; F13-L16 HydrophobicContact CE1-CD2 4.06Å; F13-L16 HydrophobicContact CE1-CG 4.41Å; F13-L16 HydrophobicContact CE2-CB 4.13Å; F13-L16 HydrophobicContact CG-CB 3.68Å; F13-L16 HydrophobicContact CZ-CB 3.97Å; F13-L16 PolarHBondContact O-N 3.18Å; F13-L16 VanDerWaalsContact O-N 3.15Å; F13-I17 PolarHBondContact O-N 3.22Å; F13-H80 HydrophobicContact CD1-CB 3.61Å; F13-H80 AromaticContact CD1-CD2 3.98Å; F13-H80 HydrophobicContact CE1-CB 4.08Å; F13-V99 HydrophobicContact CE1-CB 4.38Å; F13-V99 HydrophobicContact CE1-CG1 4.04Å; F13-V99 HydrophobicContact CZ-CG1 4.27Å; F13-N101 HydrophobicContact CD1-CB 3.99Å; F13-N101 HydrophobicContact CD2-CB 4.17Å; F13-N101 VanDerWaalsContact CD2-ND2 3.28Å; F13-N101 WeakPolarHBondContact CD2-ND2 3.14Å; F13-N101 HydrophobicContact CE1-CB 3.6Å; F13-N101 HydrophobicContact CE2-CB 3.82Å; F13-N101 VanDerWaalsContact CE2-CG 3.43Å; F13-N101 HydrophobicContact CG-CB 4.24Å; F13-N101 HydrophobicContact CZ-CB 3.51Å
14D85.3Confident86.3Confident38 Ų3833.7 Ų33.720%0.20322%0.215CC..Hα-helixtrans-58.4-35.1-174.9-74.11.4000112.4I17 A18 G44 T45 V46D14-I17 PolarHBondContact O-N 3.41Å; D14-A18 WeakPolarHBondContact O-CB 3.4Å; D14-A18 PolarHBondContact O-N 3.35Å; D14-G44 WeakPolarHBondContact OD1-CA 3.41Å; D14-T45 PolarHBondContact OD1-N 3.04Å; D14-T45 PolarHBondContact OD2-N 2.92Å; D14-T45 PolarHBondContact OD2-OG1 3.15Å; D14-V46 HydrophobicContact CB-CB 4.05Å; D14-V46 HydrophobicContact CB-CG2 3.56Å
15D83.5Confident85.9Confident57 Ų5734.3 Ų34.331%0.30522%0.219SC..Hα-helixtrans-64.1-42.4177.9-52.6-48.8000112.2F13 C19 K103F13-D15 HydrophobicContact CD2-CB 4.15Å; F13-D15 HydrophobicContact CE2-CB 3.89Å; F13-D15 PolarHBondContact O-N 3.3Å; D15-C19 WeakPolarHBondContact O-CB 3.47Å; D15-C19 PolarHBondContact O-N 3.18Å; D15-K103 IonicContact OD1-NZ 3.25Å; D15-K103 PolarHBondContact OD1-NZ 3.41Å; D15-K103 WeakPolarHBondContact OD2-CD 3.38Å; D15-K103 WeakPolarHBondContact OD2-CE 3.46Å; D15-K103 IonicContact OD2-NZ 2.8Å; D15-K103 PolarHBondContact OD2-NZ 2.66Å
16L84.4Confident85.6Confident6 Ų635.3 Ų35.33%0.03123%0.225CC..Hα-helixtrans-63.6-46.5176.6173.859.6000110.1V6 V8 F13 A18 C19 V20 H80 V99V6-L16 HydrophobicContact CG1-CD2 4.24Å; V6-L16 HydrophobicContact CG1-CG 4.5Å; V8-L16 HydrophobicContact CG1-CD2 3.88Å; F13-L16 HydrophobicContact CB-CB 4.4Å; F13-L16 HydrophobicContact CD1-CB 3.45Å; F13-L16 VanDerWaalsContact CD1-CB 3.45Å; F13-L16 HydrophobicContact CD1-CD2 3.84Å; F13-L16 HydrophobicContact CD1-CG 4.29Å; F13-L16 HydrophobicContact CD2-CB 4Å; F13-L16 HydrophobicContact CE1-CB 3.63Å; F13-L16 HydrophobicContact CE1-CD2 4.06Å; F13-L16 HydrophobicContact CE1-CG 4.41Å; F13-L16 HydrophobicContact CE2-CB 4.13Å; F13-L16 HydrophobicContact CG-CB 3.68Å; F13-L16 HydrophobicContact CZ-CB 3.97Å; F13-L16 PolarHBondContact O-N 3.18Å; F13-L16 VanDerWaalsContact O-N 3.15Å; L16-A18 PolarHBondContact O-N 2.95Å; L16-C19 PolarHBondContact O-N 3.37Å; L16-V20 HydrophobicContact CD1-CG1 3.71Å; L16-V20 HydrophobicContact CG-CG1 4.44Å; L16-V20 WeakPolarHBondContact O-CG2 3.44Å; L16-V20 PolarHBondContact O-N 2.84Å; L16-H80 HydrophobicContact CD2-CB 4.39Å; L16-V99 HydrophobicContact CD1-CB 4.15Å; L16-V99 HydrophobicContact CD1-CG1 4.06Å; L16-V99 HydrophobicContact CD1-CG2 3.82Å; L16-V99 HydrophobicContact CD2-CB 4.13Å; L16-V99 HydrophobicContact CD2-CG2 4.21Å
17I88.3Confident85.3Confident2 Ų241.6 Ų41.61%0.0125%0.254CS..Hα-helixtrans-60.4-48.3-179.6-58.5-46.4000110.4V8 F13 D14 C19 V20 S21 I41 V46 P48V8-I17 HydrophobicContact CG1-CD1 3.76Å; V8-I17 HydrophobicContact CG1-CG1 4.37Å; F13-I17 PolarHBondContact O-N 3.22Å; D14-I17 PolarHBondContact O-N 3.41Å; I17-C19 VanDerWaalsContact C-N 3.3Å; I17-C19 PolarHBondContact O-N 3.5Å; I17-V20 WeakPolarHBondContact O-CG2 3.38Å; I17-V20 PolarHBondContact O-N 3.43Å; I17-S21 VanDerWaalsContact O-CB 3.3Å; I17-S21 WeakPolarHBondContact O-CB 3.23Å; I17-S21 PolarHBondContact O-N 2.92Å; I17-S21 PolarHBondContact O-OG 2.97Å; I17-I41 HydrophobicContact CB-CG2 4.46Å; I17-I41 HydrophobicContact CD1-CG2 3.65Å; I17-I41 HydrophobicContact CG1-CG2 3.76Å; I17-I41 HydrophobicContact CG2-CG2 3.82Å; I17-V46 HydrophobicContact CB-CG1 4.19Å; I17-V46 HydrophobicContact CG2-CB 4.43Å; I17-V46 HydrophobicContact CG2-CG1 3.81Å; I17-P48 VanDerWaalsContact CG2-CD 3.48Å; I17-P48 HydrophobicContact CG2-CG 3.56Å
18A87.6Confident85Confident45 Ų4545.9 Ų45.937%0.37227%0.273SS..Hα-helixtrans-60.6-39.6176.500000112.3D14 L16 S21 A22 V46D14-A18 WeakPolarHBondContact O-CB 3.4Å; D14-A18 PolarHBondContact O-N 3.35Å; L16-A18 PolarHBondContact O-N 2.95Å; A18-S21 PolarHBondContact O-OG 3.47Å; A18-A22 PolarHBondContact O-N 3.09Å; A18-A22 VanDerWaalsContact O-N 3.11Å; A18-V46 HydrophobicContact CB-CG1 4.27Å
19C85.6Confident85Confident50 Ų5046.8 Ų46.834%0.33828%0.278SS..Hα-helixtrans-66.3-47.4179-176.50000112D15 L16 I17 S21 A22 S25D15-C19 WeakPolarHBondContact O-CB 3.47Å; D15-C19 PolarHBondContact O-N 3.18Å; L16-C19 PolarHBondContact O-N 3.37Å; I17-C19 VanDerWaalsContact C-N 3.3Å; I17-C19 PolarHBondContact O-N 3.5Å; C19-S21 VanDerWaalsContact C-N 3.35Å; C19-A22 WeakPolarHBondContact O-CB 3.38Å; C19-A22 PolarHBondContact O-N 3.48Å; C19-S25 WeakPolarHBondContact O-CB 3.29Å; C19-S25 PolarHBondContact O-OG 3.21Å
20V86.6Confident85.2Confident14 Ų1449.8 Ų49.89%0.08529%0.287CS..Hα-helixtrans-73.6-27.7-179.3-60.80000112.6V6 L16 I17 A22 L39V6-V20 HydrophobicContact CG1-CG2 4.44Å; L16-V20 HydrophobicContact CD1-CG1 3.71Å; L16-V20 HydrophobicContact CG-CG1 4.44Å; L16-V20 WeakPolarHBondContact O-CG2 3.44Å; L16-V20 PolarHBondContact O-N 2.84Å; I17-V20 WeakPolarHBondContact O-CG2 3.38Å; I17-V20 PolarHBondContact O-N 3.43Å; V20-A22 VanDerWaalsContact C-N 3.32Å; V20-L39 HydrophobicContact CG2-CD1 4.16Å; V20-L39 HydrophobicContact CG2-CD2 3.55Å
21S87.4Confident85.4Confident28 Ų2849.8 Ų49.820%0.19629%0.291CS..THydrogen-bonded Turntrans-85.8-1.5175.370.30000113.7I17 A18 C19 P48I17-S21 VanDerWaalsContact O-CB 3.3Å; I17-S21 WeakPolarHBondContact O-CB 3.23Å; I17-S21 PolarHBondContact O-N 2.92Å; I17-S21 PolarHBondContact O-OG 2.97Å; A18-S21 PolarHBondContact O-OG 3.47Å; C19-S21 VanDerWaalsContact C-N 3.35Å; S21-P48 VanDerWaalsContact CB-CG 3.44Å
22A88.6Confident85.7Confident31 Ų3153.3 Ų53.326%0.25631%0.308SS..SBendtrans-67.9144.7177.600000110.8A18 C19 V20 D24 S25 L26A18-A22 PolarHBondContact O-N 3.09Å; A18-A22 VanDerWaalsContact O-N 3.11Å; C19-A22 WeakPolarHBondContact O-CB 3.38Å; C19-A22 PolarHBondContact O-N 3.48Å; V20-A22 VanDerWaalsContact C-N 3.32Å; A22-D24 VanDerWaalsContact C-N 3.27Å; A22-D24 PolarHBondContact O-N 2.93Å; A22-S25 WeakPolarHBondContact O-CB 2.86Å; A22-S25 PolarHBondContact O-N 2.92Å; A22-L26 WeakPolarHBondContact O-CG 3.4Å; A22-L26 PolarHBondContact O-N 3.02Å
23P86.7Confident86.1Confident93 Ų9352.6 Ų52.660%0.60431%0.31SS*.Hα-helixtrans-51.9-42.8-179.6-28.335.1000113.8S25 L26 Q27P23-S25 VanDerWaalsContact C-N 3.3Å; P23-S25 PolarHBondContact O-N 3.43Å; P23-L26 PolarHBondContact O-N 3.39Å; P23-Q27 WeakPolarHBondContact O-CG 3.4Å; P23-Q27 PolarHBondContact O-N 3.23Å
24D85.2Confident86.4Confident121 Ų12154.5 Ų54.565%0.64732%0.317SS*.Hα-helixtrans-61.7-37.9178.9-64.3-8.4000112.5A22 K28A22-D24 VanDerWaalsContact C-N 3.27Å; A22-D24 PolarHBondContact O-N 2.93Å; D24-K28 WeakPolarHBondContact O-CB 3.37Å; D24-K28 PolarHBondContact O-N 3.39Å; D24-K28 VanDerWaalsContact O-N 3.08Å
25S84.9Confident86.8Confident14 Ų1454.6 Ų54.610%0.09832%0.318CS..Hα-helixtrans-72.4-42.7177.9-64.20000111.1C19 A22 P23 K28 I29C19-S25 WeakPolarHBondContact O-CB 3.29Å; C19-S25 PolarHBondContact O-OG 3.21Å; A22-S25 WeakPolarHBondContact O-CB 2.86Å; A22-S25 PolarHBondContact O-N 2.92Å; P23-S25 VanDerWaalsContact C-N 3.3Å; P23-S25 PolarHBondContact O-N 3.43Å; S25-K28 WeakPolarHBondContact O-CB 3.21Å; S25-K28 PolarHBondContact O-N 3.19Å; S25-I29 VanDerWaalsContact O-CG1 3.24Å; S25-I29 WeakPolarHBondContact O-CG1 3.27Å; S25-I29 PolarHBondContact O-N 2.76Å
26L87.4Confident87.3Confident21 Ų2157 Ų5711%0.1132%0.322CS..Hα-helixtrans-61.6-45.4177.1-64173.6000111.2A22 P23 K28 I29 E30 L37 F51 F56A22-L26 WeakPolarHBondContact O-CG 3.4Å; A22-L26 PolarHBondContact O-N 3.02Å; P23-L26 PolarHBondContact O-N 3.39Å; L26-K28 VanDerWaalsContact C-N 3.33Å; L26-K28 PolarHBondContact O-N 2.75Å; L26-I29 PolarHBondContact O-N 2.9Å; L26-E30 WeakPolarHBondContact O-CB 3.45Å; L26-E30 PolarHBondContact O-N 3.39Å; L26-L37 HydrophobicContact CD2-CD2 3.52Å; L26-F51 HydrophobicContact CD1-CE1 3.99Å; L26-F51 HydrophobicContact CD1-CZ 3.96Å; L26-F56 HydrophobicContact CD2-CE1 3.94Å; L26-F56 HydrophobicContact CD2-CZ 3.94Å
27Q85.3Confident87.8Confident133 Ų13356.7 Ų56.762%0.62132%0.321SS*.Hα-helixtrans-61.5-40174.4-75.8-174.2-11.200112.3P23 E30 S31P23-Q27 WeakPolarHBondContact O-CG 3.4Å; P23-Q27 PolarHBondContact O-N 3.23Å; Q27-E30 PolarHBondContact O-N 2.95Å; Q27-S31 WeakPolarHBondContact O-CB 3.24Å; Q27-S31 PolarHBondContact O-N 3.33Å; Q27-S31 PolarHBondContact O-OG 3.49Å
28K84.1Confident88.1Confident90 Ų9057 Ų5739%0.39132%0.323SS..Hα-helixtrans-61.2-48.9173.9-95.2172.7177.7168.40111.7D24 S25 L26 E30 S31 L32 L131D24-K28 WeakPolarHBondContact O-CB 3.37Å; D24-K28 PolarHBondContact O-N 3.39Å; D24-K28 VanDerWaalsContact O-N 3.08Å; S25-K28 WeakPolarHBondContact O-CB 3.21Å; S25-K28 PolarHBondContact O-N 3.19Å; L26-K28 VanDerWaalsContact C-N 3.33Å; L26-K28 PolarHBondContact O-N 2.75Å; K28-E30 VanDerWaalsContact C-N 3.29Å; K28-E30 PolarHBondContact O-N 2.92Å; K28-S31 WeakPolarHBondContact CA-OG 3.45Å; K28-S31 PolarHBondContact O-N 3.15Å; K28-S31 PolarHBondContact O-OG 3.36Å; K28-L32 VanDerWaalsContact O-CG 3.27Å; K28-L32 WeakPolarHBondContact O-CG 3.41Å; K28-L32 PolarHBondContact O-N 3.11Å; K28-L131 HydrophobicContact CD-CB 4.41Å; K28-L131 HydrophobicContact CD-CD1 4.35Å; K28-L131 PolarHBondContact NZ-O 3.35Å
29I86.1Confident88.3Confident21 Ų2154.9 Ų54.911%0.10831%0.305CS..Hα-helixtrans-58-45.1178.8-68.9166.6000110.1V4 S25 L26 L32 Y34 L37 F56V4-I29 HydrophobicContact CG2-CG2 4.03Å; S25-I29 VanDerWaalsContact O-CG1 3.24Å; S25-I29 WeakPolarHBondContact O-CG1 3.27Å; S25-I29 PolarHBondContact O-N 2.76Å; L26-I29 PolarHBondContact O-N 2.9Å; I29-L32 PolarHBondContact O-N 3.44Å; I29-Y34 HydrophobicContact CG2-CD2 4.31Å; I29-Y34 HydrophobicContact CG2-CG 4.24Å; I29-Y34 WeakPolarHBondContact O-CB 3.23Å; I29-Y34 WeakPolarHBondContact O-CD2 3.23Å; I29-Y34 PolarHBondContact O-N 3.43Å; I29-Y34 VanDerWaalsContact O-N 3.15Å; I29-L37 HydrophobicContact CD1-CD1 4.32Å; I29-L37 HydrophobicContact CD1-CD2 3.9Å; I29-F56 HydrophobicContact CG2-CE2 3.85Å; I29-F56 HydrophobicContact CG2-CZ 4.36Å
30E87.5Confident88.6Confident78 Ų7852.7 Ų52.736%0.36429%0.29SS..Hα-helixtrans-62.9-45.6176.2-169.2174.9-159.200112.3L26 Q27 K28 L32 G33 Y34 S55 F56L26-E30 WeakPolarHBondContact O-CB 3.45Å; L26-E30 PolarHBondContact O-N 3.39Å; Q27-E30 PolarHBondContact O-N 2.95Å; K28-E30 VanDerWaalsContact C-N 3.29Å; K28-E30 PolarHBondContact O-N 2.92Å; E30-L32 VanDerWaalsContact C-N 3.25Å; E30-L32 PolarHBondContact O-N 3.4Å; E30-G33 WeakPolarHBondContact O-CA 3.47Å; E30-G33 PolarHBondContact O-N 2.94Å; E30-Y34 WeakPolarHBondContact CA-O 3.18Å; E30-S55 VanDerWaalsContact OE1-CB 3.25Å; E30-S55 WeakPolarHBondContact OE1-CB 3.17Å; E30-S55 PolarHBondContact OE1-OG 2.76Å; E30-F56 HydrophobicContact CB-CD2 4.31Å
31S85.2Confident88.8Confident96 Ų9652.2 Ų52.267%0.67129%0.287SS*.Hα-helixtrans-65.2-26.3178.572.30000113.9Q27 K28 G33Q27-S31 WeakPolarHBondContact O-CB 3.24Å; Q27-S31 PolarHBondContact O-N 3.33Å; Q27-S31 PolarHBondContact O-OG 3.49Å; K28-S31 WeakPolarHBondContact CA-OG 3.45Å; K28-S31 PolarHBondContact O-N 3.15Å; K28-S31 PolarHBondContact O-OG 3.36Å; S31-G33 PolarHBondContact O-N 2.89Å
32L84.5Confident88.7Confident117 Ų11751 Ų5161%0.61328%0.278SS*.THydrogen-bonded Turntrans-75.7-2.8171.5-69.4169.8000112.5K28 I29 E30 Y34K28-L32 VanDerWaalsContact O-CG 3.27Å; K28-L32 WeakPolarHBondContact O-CG 3.41Å; K28-L32 PolarHBondContact O-N 3.11Å; I29-L32 PolarHBondContact O-N 3.44Å; E30-L32 VanDerWaalsContact C-N 3.25Å; E30-L32 PolarHBondContact O-N 3.4Å; L32-Y34 HydrophobicContact CB-CD2 3.73Å; L32-Y34 HydrophobicContact CB-CE2 3.83Å; L32-Y34 HydrophobicContact CD1-CE2 4.47Å
33G89.2Confident88.5Confident45 Ų4558.1 Ų58.146%0.46430%0.298SS..THydrogen-bonded Turntrans87.415.117700000114.2E30 S31E30-G33 WeakPolarHBondContact O-CA 3.47Å; E30-G33 PolarHBondContact O-N 2.94Å; S31-G33 PolarHBondContact O-N 2.89Å
34Y91.3Very high88.4Confident45 Ų4553.9 Ų53.918%0.17627%0.272CS..  trans-87131.4171-61-85.1000109.9K2 V4 I29 E30 L32 D75 L76K2-Y34 HydrophobicContact CB-CD1 3.63Å; K2-Y34 HydrophobicContact CB-CE1 4.18Å; K2-Y34 HydrophobicContact CB-CG 4.32Å; K2-Y34 HydrophobicContact CD-CE1 4.49Å; K2-Y34 WeakPolarHBondContact O-CA 3.49Å; V4-Y34 HydrophobicContact CG2-CD1 3.34Å; V4-Y34 HydrophobicContact CG2-CD2 3.9Å; V4-Y34 HydrophobicContact CG2-CE1 3.75Å; V4-Y34 HydrophobicContact CG2-CE2 4.25Å; V4-Y34 HydrophobicContact CG2-CG 3.43Å; V4-Y34 VanDerWaalsContact CG2-CG 3.43Å; I29-Y34 HydrophobicContact CG2-CD2 4.31Å; I29-Y34 HydrophobicContact CG2-CG 4.24Å; I29-Y34 WeakPolarHBondContact O-CB 3.23Å; I29-Y34 WeakPolarHBondContact O-CD2 3.23Å; I29-Y34 PolarHBondContact O-N 3.43Å; I29-Y34 VanDerWaalsContact O-N 3.15Å; E30-Y34 WeakPolarHBondContact CA-O 3.18Å; L32-Y34 HydrophobicContact CB-CD2 3.73Å; L32-Y34 HydrophobicContact CB-CE2 3.83Å; L32-Y34 HydrophobicContact CD1-CE2 4.47Å; Y34-D75 HydrophobicContact CE1-CB 4.16Å; Y34-L76 HydrophobicContact CE1-CB 4.15Å
35N92.9Very high88.4Confident40 Ų4053.8 Ų53.821%0.21428%0.276CS..  trans-114.40.9-176.763.5-7.6000112.9M1 K2 S55 F56 T57M1-N35 WeakPolarHBondContact CA-OD1 3.24Å; M1-N35 WeakPolarHBondContact CB-ND2 3.44Å; M1-N35 WeakPolarHBondContact CB-OD1 3.33Å; M1-N35 WeakPolarHBondContact CG-ND2 3.3Å; K2-N35 PolarHBondContact N-OD1 3.46Å; K2-N35 PolarHBondContact O-N 3.4Å; K2-N35 PolarHBondContact O-OD1 3.15Å; K2-N35 VanDerWaalsContact O-OD1 3.04Å; N35-S55 VanDerWaalsContact CB-O 3.27Å; N35-S55 WeakPolarHBondContact CB-O 3.4Å; N35-F56 CarbonylContact O-C 3.5Å; N35-F56 WeakPolarHBondContact O-CA 3.33Å; N35-T57 PolarHBondContact O-N 2.86Å
36R94.4Very high88.5Confident106 Ų10655.3 Ų55.340%0.429%0.285SS..EExtended strand (participates in β ladder)trans-141.1132.4175.1-168.4174.2-173.7177.62110.9K2 C3 V4 I38 T57 D59K2-R36 PolarHBondContact O-N 3.34Å; C3-R36 WeakPolarHBondContact CA-O 3.32Å; C3-R36 HydrophobicContact CB-CB 4.35Å; V4-R36 PolarHBondContact N-O 3.09Å; R36-I38 HydrophobicContact CG-CG1 4.19Å; R36-T57 CarbonylContact C-O 3.5Å; R36-T57 WeakPolarHBondContact CA-O 3.22Å; R36-D59 IonicContact CZ-OD2 2.97Å; R36-D59 VanDerWaalsContact CZ-OD2 3.25Å; R36-D59 IonicContact NE-OD2 2.82Å; R36-D59 PolarHBondContact NE-OD2 2.93Å; R36-D59 IonicContact NH2-OD2 2.91Å; R36-D59 PolarHBondContact NH2-OD2 3.47Å
37L94.3Very high88.6Confident0 Ų058 Ų580%030%0.302CS..EExtended strand (participates in β ladder)trans-121.7123.8171.8177.260.8000108.6V4 V6 L26 I29 L39 F56 T57 L58 D59V4-L37 HydrophobicContact CB-CD1 3.87Å; V4-L37 HydrophobicContact CG1-CD1 3.88Å; V4-L37 WeakPolarHBondContact O-CA 3.46Å; V6-L37 HydrophobicContact CG2-CD1 3.64Å; L26-L37 HydrophobicContact CD2-CD2 3.52Å; I29-L37 HydrophobicContact CD1-CD1 4.32Å; I29-L37 HydrophobicContact CD1-CD2 3.9Å; L37-L39 HydrophobicContact CD1-CD2 3.86Å; L37-L39 HydrophobicContact CD2-CD2 4.09Å; L37-L39 HydrophobicContact CD2-CG 4.44Å; L37-L39 HydrophobicContact CG-CD2 3.87Å; L37-L39 HydrophobicContact CG-CG 4.19Å; L37-F56 HydrophobicContact CB-CE1 4.23Å; L37-F56 HydrophobicContact CB-CE2 4.32Å; L37-F56 HydrophobicContact CB-CZ 3.54Å; L37-F56 HydrophobicContact CD2-CZ 4.31Å; L37-T57 PolarHBondContact N-O 2.87Å; L37-L58 HydrophobicContact CB-CD1 3.96Å; L37-L58 HydrophobicContact CD2-CD1 3.73Å; L37-L58 HydrophobicContact CG-CD1 3.7Å; L37-L58 WeakPolarHBondContact O-CA 3.49Å; L37-D59 PolarHBondContact O-N 3.46Å
38I94.6Very high88.8Confident9 Ų952.5 Ų52.55%0.04628%0.277CS..EExtended strand (participates in β ladder)trans-113.2119176.2-59176000107.6V4 F5 V6 R36 D59 Y61V4-I38 PolarHBondContact O-N 3.3Å; F5-I38 HydrophobicContact CD2-CB 3.88Å; F5-I38 HydrophobicContact CD2-CG2 3.69Å; F5-I38 HydrophobicContact CE2-CG2 3.92Å; V6-I38 PolarHBondContact N-O 3.14Å; R36-I38 HydrophobicContact CG-CG1 4.19Å; I38-D59 CarbonylContact C-O 3.52Å; I38-D59 WeakPolarHBondContact CA-O 3.42Å; I38-D59 HydrophobicContact CG1-CB 4.28Å; I38-Y61 HydrophobicContact CG2-CD1 4.12Å; I38-Y61 HydrophobicContact CG2-CE1 3.54Å
39L93Very high89.1Confident0 Ų056.3 Ų56.30%030%0.297CS..EExtended strand (participates in β ladder)trans-105.4108.9178.3-58.6-176.5000110.4V6 V20 L37 I41 P48 L58 D59 V60 Y61V6-L39 HydrophobicContact CB-CD2 3.51Å; V6-L39 HydrophobicContact CG1-CD2 4.21Å; V6-L39 HydrophobicContact CG2-CD2 3.54Å; V20-L39 HydrophobicContact CG2-CD1 4.16Å; V20-L39 HydrophobicContact CG2-CD2 3.55Å; L37-L39 HydrophobicContact CD1-CD2 3.86Å; L37-L39 HydrophobicContact CD2-CD2 4.09Å; L37-L39 HydrophobicContact CD2-CG 4.44Å; L37-L39 HydrophobicContact CG-CD2 3.87Å; L37-L39 HydrophobicContact CG-CG 4.19Å; L39-I41 HydrophobicContact CB-CG2 4.35Å; L39-P48 HydrophobicContact CD1-CG 4.01Å; L39-L58 HydrophobicContact CD1-CD1 3.77Å; L39-L58 HydrophobicContact CG-CD1 3.78Å; L39-D59 PolarHBondContact N-O 3.25Å; L39-V60 HydrophobicContact CB-CG1 4.33Å; L39-V60 HydrophobicContact CB-CG2 4.21Å; L39-V60 HydrophobicContact CD1-CG2 4.22Å; L39-V60 WeakPolarHBondContact O-CA 3.47Å; L39-Y61 PolarHBondContact O-N 2.66Å
40Q91.6Very high89.4Confident5 Ų559.3 Ų59.32%0.02332%0.317CS..EExtended strand (participates in β ladder)trans-87.9106.8164.1-174.1-82.6-44.900109.3F5 V6 T7 V8 G9 Y61 R62 L67F5-Q40 HydrophobicContact CE2-CB 3.82Å; F5-Q40 HydrophobicContact CZ-CB 3.88Å; V6-Q40 PolarHBondContact O-N 3.14Å; T7-Q40 PolarHBondContact OG1-OE1 2.88Å; V8-Q40 PolarHBondContact N-O 3.19Å; G9-Q40 PolarHBondContact O-NE2 2.83Å; Q40-Y61 CarbonylContact C-O 3.59Å; Q40-Y61 WeakPolarHBondContact CA-O 3.11Å; Q40-Y61 HydrophobicContact CB-CD2 4.35Å; Q40-Y61 HydrophobicContact CB-CE1 4.38Å; Q40-Y61 HydrophobicContact CB-CE2 3.68Å; Q40-Y61 HydrophobicContact CG-CD2 4Å; Q40-Y61 HydrophobicContact CG-CE2 3.31Å; Q40-R62 PolarHBondContact NE2-O 2.79Å; Q40-L67 HydrophobicContact CG-CD2 4.01Å
41I89.8Confident89.7Confident4 Ų459.6 Ų59.62%0.02132%0.317CS..  trans-99143.7-179.960.2159.3000110.8I17 L39 V47 V60 Y61 R62I17-I41 HydrophobicContact CB-CG2 4.46Å; I17-I41 HydrophobicContact CD1-CG2 3.65Å; I17-I41 HydrophobicContact CG1-CG2 3.76Å; I17-I41 HydrophobicContact CG2-CG2 3.82Å; L39-I41 HydrophobicContact CB-CG2 4.35Å; I41-V47 HydrophobicContact CD1-CB 4.13Å; I41-V47 HydrophobicContact CD1-CG1 3.85Å; I41-V47 HydrophobicContact CD1-CG2 3.69Å; I41-V60 HydrophobicContact CD1-CG1 4.07Å; I41-V60 HydrophobicContact CG1-CG1 4.11Å; I41-V60 HydrophobicContact CG2-CG1 4.15Å; I41-Y61 WeakPolarHBondContact CG1-O 3.26Å; I41-Y61 PolarHBondContact N-O 3.35Å; I41-R62 HydrophobicContact CD1-CG 3.72Å; I41-R62 HydrophobicContact CG1-CB 4.46Å; I41-R62 HydrophobicContact CG1-CG 3.62Å; I41-R62 CarbonylContact O-C 3.58Å; I41-R62 WeakPolarHBondContact O-CA 3.27Å
42G86.2Confident90.1Very high1 Ų159 Ų591%0.0131%0.313CS..  trans-88.5-136.1-179.700000112.8G9 T11 G44 R62G9-G42 WeakPolarHBondContact O-CA 3.26Å; T11-G42 WeakPolarHBondContact O-CA 3.32Å; G42-G44 PolarHBondContact O-N 2.79Å; G42-R62 PolarHBondContact O-NH1 2.82Å
43R85.2Confident90.3Very high181 Ų18156.8 Ų56.868%0.68331%0.305SS*.SBendtrans-79.212.8174.7-67-177-66.3165.74.2114.1T10 Y63T10-R43 PolarHBondContact O-NE 3.32Å; R43-Y63 WeakPolarHBondContact CG-OH 3.45Å
44G83.1Confident90.3Very high5 Ų564.7 Ų64.75%0.05233%0.33CS..  trans-61.4163.2178.400000114.1D14 G42 R62D14-G44 WeakPolarHBondContact OD1-CA 3.41Å; G42-G44 PolarHBondContact O-N 2.79Å; G44-R62 PolarHBondContact O-NH1 3.32Å; G44-R62 PolarHBondContact O-NH2 3.02Å
45T86.4Confident90.2Very high119 Ų11965.6 Ų65.673%0.7334%0.342SS*.SBendtrans-93.6-25.4177.464.50000112.4D14 V47D14-T45 PolarHBondContact OD1-N 3.04Å; D14-T45 PolarHBondContact OD2-N 2.92Å; D14-T45 PolarHBondContact OD2-OG1 3.15Å; T45-V47 PolarHBondContact O-N 3.35Å
46V86.6Confident90.1Very high46 Ų4663.9 Ų63.928%0.27933%0.333SS..  trans-75.9117.2176.9177.10000109.6D14 I17 A18D14-V46 HydrophobicContact CB-CB 4.05Å; D14-V46 HydrophobicContact CB-CG2 3.56Å; I17-V46 HydrophobicContact CB-CG1 4.19Å; I17-V46 HydrophobicContact CG2-CB 4.43Å; I17-V46 HydrophobicContact CG2-CG1 3.81Å; A18-V46 HydrophobicContact CB-CG1 4.27Å
47V90Very high90.1Very high77 Ų7760.5 Ų60.547%0.46732%0.324SS..  trans-12999.2176.5-171.70000108I41 T45 V60I41-V47 HydrophobicContact CD1-CB 4.13Å; I41-V47 HydrophobicContact CD1-CG1 3.85Å; I41-V47 HydrophobicContact CD1-CG2 3.69Å; T45-V47 PolarHBondContact O-N 3.35Å; V47-V60 HydrophobicContact CG1-CG1 4.41Å
48P89.1Confident90.1Very high17 Ų1760.6 Ų60.611%0.1133%0.325CS..PPolyproline II helixtrans-62.9143.3172.5-18.832000109.9I17 S21 L39 L58 V60I17-P48 VanDerWaalsContact CG2-CD 3.48Å; I17-P48 HydrophobicContact CG2-CG 3.56Å; S21-P48 VanDerWaalsContact CB-CG 3.44Å; L39-P48 HydrophobicContact CD1-CG 4.01Å; P48-L58 HydrophobicContact CB-CD2 4.42Å; P48-V60 HydrophobicContact CB-CG2 4.34Å; P48-V60 WeakPolarHBondContact O-CG2 3.49Å
49E90.3Very high90.1Very high171 Ų17162.5 Ų62.580%0.79934%0.335SS*.PPolyproline II helixtrans-72127.7172.8-68.1-170.1157.300109.5
50P92.6Very high90.1Very high83 Ų8363.9 Ų63.954%0.53934%0.344SS..PPolyproline II helixtrans-65.8141.3173.328.6-33.3000109.5L58 V60P50-L58 CarbonylContact C-O 3.56Å; P50-L58 VanDerWaalsContact CA-O 3.24Å; P50-L58 WeakPolarHBondContact CA-O 3.36Å; P50-L58 VanDerWaalsContact CB-O 3.27Å; P50-L58 WeakPolarHBondContact CB-O 3.37Å; P50-V60 HydrophobicContact CB-CG2 4.39Å
51F93.1Very high90.2Very high84 Ų8465.8 Ų65.837%0.36835%0.351SS..EExtended strand (participates in β ladder)trans-147.1158.7178.571.1-94.7000110.7L26 T53 F56 L58L26-F51 HydrophobicContact CD1-CE1 3.99Å; L26-F51 HydrophobicContact CD1-CZ 3.96Å; F51-T53 HydrophobicContact CD2-CG2 4.04Å; F51-T53 HydrophobicContact CE2-CG2 4.04Å; F51-F56 AromaticContact CE2-CD1 3.91Å; F51-F56 HydrophobicContact CE2-CD1 3.91Å; F51-F56 HydrophobicContact CE2-CE1 4.44Å; F51-F56 HydrophobicContact CZ-CD1 4Å; F51-F56 HydrophobicContact CZ-CE1 4.1Å; F51-L58 HydrophobicContact CD1-CB 3.83Å; F51-L58 HydrophobicContact CD1-CD2 3.77Å; F51-L58 HydrophobicContact CD1-CG 4.37Å; F51-L58 HydrophobicContact CE1-CB 3.71Å; F51-L58 HydrophobicContact CE1-CD2 3.47Å; F51-L58 VanDerWaalsContact CE1-CD2 3.47Å; F51-L58 HydrophobicContact CE1-CG 4.23Å; F51-L58 HydrophobicContact CG-CB 4.34Å; F51-L58 HydrophobicContact CZ-CB 4.11Å; F51-L58 HydrophobicContact CZ-CD2 4.46Å; F51-L58 PolarHBondContact N-O 3.22Å; F51-L58 VanDerWaalsContact N-O 3.07Å; F51-L58 PolarHBondContact O-N 2.97Å
52S92.9Very high90.1Very high83 Ų8369.9 Ų69.958%0.5837%0.366SS*.EExtended strand (participates in β ladder)trans-136.1134171.8-163.80000109.9F56 T57S52-F56 WeakPolarHBondContact CA-O 3.44Å; S52-T57 PolarHBondContact OG-OG1 3.38Å
53T89.7Confident89.9Confident72 Ų7276.4 Ų76.444%0.44239%0.391SS..  trans-108.5-176.7169.171.90000109.2F51 S55 F56F51-T53 HydrophobicContact CD2-CG2 4.04Å; F51-T53 HydrophobicContact CE2-CG2 4.04Å; T53-S55 VanDerWaalsContact C-N 3.25Å; T53-S55 PolarHBondContact O-N 2.87Å; T53-S55 PolarHBondContact OG1-N 3.34Å; T53-S55 PolarHBondContact OG1-OG 3.3Å; T53-F56 PolarHBondContact N-O 2.96Å; T53-F56 PolarHBondContact OG1-N 3.29Å; T53-F56 PolarHBondContact OG1-O 3.31Å
54E88.6Confident89.8Confident210 Ų21072.2 Ų72.298%0.98138%0.378SS*.SBendtrans-66.3-28.4173.8-62.3-173169.500112.7
55S89.1Confident89.6Confident64 Ų6480.6 Ų80.645%0.44842%0.422SS..SBendtrans-109-20.5-173.657.20000114.2E30 N35 T53E30-S55 VanDerWaalsContact OE1-CB 3.25Å; E30-S55 WeakPolarHBondContact OE1-CB 3.17Å; E30-S55 PolarHBondContact OE1-OG 2.76Å; N35-S55 VanDerWaalsContact CB-O 3.27Å; N35-S55 WeakPolarHBondContact CB-O 3.4Å; T53-S55 VanDerWaalsContact C-N 3.25Å; T53-S55 PolarHBondContact O-N 2.87Å; T53-S55 PolarHBondContact OG1-N 3.34Å; T53-S55 PolarHBondContact OG1-OG 3.3Å
56F92.2Very high89.3Confident5 Ų577.1 Ų77.12%0.02240%0.402CS..  trans-146.3138.6-170-172-93.1000113.1L26 I29 E30 N35 L37 F51 S52 T53 L58L26-F56 HydrophobicContact CD2-CE1 3.94Å; L26-F56 HydrophobicContact CD2-CZ 3.94Å; I29-F56 HydrophobicContact CG2-CE2 3.85Å; I29-F56 HydrophobicContact CG2-CZ 4.36Å; E30-F56 HydrophobicContact CB-CD2 4.31Å; N35-F56 CarbonylContact O-C 3.5Å; N35-F56 WeakPolarHBondContact O-CA 3.33Å; L37-F56 HydrophobicContact CB-CE1 4.23Å; L37-F56 HydrophobicContact CB-CE2 4.32Å; L37-F56 HydrophobicContact CB-CZ 3.54Å; L37-F56 HydrophobicContact CD2-CZ 4.31Å; F51-F56 AromaticContact CE2-CD1 3.91Å; F51-F56 HydrophobicContact CE2-CD1 3.91Å; F51-F56 HydrophobicContact CE2-CE1 4.44Å; F51-F56 HydrophobicContact CZ-CD1 4Å; F51-F56 HydrophobicContact CZ-CE1 4.1Å; S52-F56 WeakPolarHBondContact CA-O 3.44Å; T53-F56 PolarHBondContact N-O 2.96Å; T53-F56 PolarHBondContact OG1-N 3.29Å; T53-F56 PolarHBondContact OG1-O 3.31Å; F56-L58 HydrophobicContact CE1-CB 4.16Å
57T94.4Very high89.1Confident34 Ų3476.4 Ų76.421%0.20940%0.397CS..EExtended strand (participates in β ladder)trans-124.3129175.5-53.80000111.1N35 R36 L37 S52N35-T57 PolarHBondContact O-N 2.86Å; R36-T57 CarbonylContact C-O 3.5Å; R36-T57 WeakPolarHBondContact CA-O 3.22Å; L37-T57 PolarHBondContact N-O 2.87Å; S52-T57 PolarHBondContact OG-OG1 3.38Å
58L94.1Very high88.8Confident3 Ų378.3 Ų78.32%0.01640%0.399CS..EExtended strand (participates in β ladder)trans-107.9114169.517858.2000110.1L37 L39 P48 P50 F51 F56 V60L37-L58 HydrophobicContact CB-CD1 3.96Å; L37-L58 HydrophobicContact CD2-CD1 3.73Å; L37-L58 HydrophobicContact CG-CD1 3.7Å; L37-L58 WeakPolarHBondContact O-CA 3.49Å; L39-L58 HydrophobicContact CD1-CD1 3.77Å; L39-L58 HydrophobicContact CG-CD1 3.78Å; P48-L58 HydrophobicContact CB-CD2 4.42Å; P50-L58 CarbonylContact C-O 3.56Å; P50-L58 VanDerWaalsContact CA-O 3.24Å; P50-L58 WeakPolarHBondContact CA-O 3.36Å; P50-L58 VanDerWaalsContact CB-O 3.27Å; P50-L58 WeakPolarHBondContact CB-O 3.37Å; F51-L58 HydrophobicContact CD1-CB 3.83Å; F51-L58 HydrophobicContact CD1-CD2 3.77Å; F51-L58 HydrophobicContact CD1-CG 4.37Å; F51-L58 HydrophobicContact CE1-CB 3.71Å; F51-L58 HydrophobicContact CE1-CD2 3.47Å; F51-L58 VanDerWaalsContact CE1-CD2 3.47Å; F51-L58 HydrophobicContact CE1-CG 4.23Å; F51-L58 HydrophobicContact CG-CB 4.34Å; F51-L58 HydrophobicContact CZ-CB 4.11Å; F51-L58 HydrophobicContact CZ-CD2 4.46Å; F51-L58 PolarHBondContact N-O 3.22Å; F51-L58 VanDerWaalsContact N-O 3.07Å; F51-L58 PolarHBondContact O-N 2.97Å; F56-L58 HydrophobicContact CE1-CB 4.16Å; L58-V60 HydrophobicContact CD1-CG2 4.29Å; L58-V60 HydrophobicContact CD2-CG2 4.47Å; L58-V60 HydrophobicContact CG-CG2 4.08Å
59D94.3Very high88.7Confident49 Ų4982.3 Ų82.326%0.26242%0.416SS..EExtended strand (participates in β ladder)trans-103.9140171-67.5-55.9000110.1R36 L37 I38 L39R36-D59 IonicContact CZ-OD2 2.97Å; R36-D59 VanDerWaalsContact CZ-OD2 3.25Å; R36-D59 IonicContact NE-OD2 2.82Å; R36-D59 PolarHBondContact NE-OD2 2.93Å; R36-D59 IonicContact NH2-OD2 2.91Å; R36-D59 PolarHBondContact NH2-OD2 3.47Å; L37-D59 PolarHBondContact O-N 3.46Å; I38-D59 CarbonylContact C-O 3.52Å; I38-D59 WeakPolarHBondContact CA-O 3.42Å; I38-D59 HydrophobicContact CG1-CB 4.28Å; L39-D59 PolarHBondContact N-O 3.25Å
60V93.4Very high88.6Confident29 Ų2974.7 Ų74.718%0.17638%0.381CS..EExtended strand (participates in β ladder)trans-133.2129.2178.7-172.30000109.7L39 I41 V47 P48 P50 L58L39-V60 HydrophobicContact CB-CG1 4.33Å; L39-V60 HydrophobicContact CB-CG2 4.21Å; L39-V60 HydrophobicContact CD1-CG2 4.22Å; L39-V60 WeakPolarHBondContact O-CA 3.47Å; I41-V60 HydrophobicContact CD1-CG1 4.07Å; I41-V60 HydrophobicContact CG1-CG1 4.11Å; I41-V60 HydrophobicContact CG2-CG1 4.15Å; V47-V60 HydrophobicContact CG1-CG1 4.41Å; P48-V60 HydrophobicContact CB-CG2 4.34Å; P48-V60 WeakPolarHBondContact O-CG2 3.49Å; P50-V60 HydrophobicContact CB-CG2 4.39Å; L58-V60 HydrophobicContact CD1-CG2 4.29Å; L58-V60 HydrophobicContact CD2-CG2 4.47Å; L58-V60 HydrophobicContact CG-CG2 4.08Å
61Y92.4Very high88.4Confident44 Ų4470.7 Ų70.717%0.17336%0.355CS..EExtended strand (participates in β ladder)trans-145156.6173.669.2-99.1000111.6F5 I38 L39 Q40 I41 K64 L67 D70F5-Y61 HydrophobicContact CE2-CE1 4.32Å; F5-Y61 VanDerWaalsContact CE2-OH 3.31Å; F5-Y61 WeakPolarHBondContact CE2-OH 3.43Å; F5-Y61 WeakPolarHBondContact CZ-OH 3.37Å; I38-Y61 HydrophobicContact CG2-CD1 4.12Å; I38-Y61 HydrophobicContact CG2-CE1 3.54Å; L39-Y61 PolarHBondContact O-N 2.66Å; Q40-Y61 CarbonylContact C-O 3.59Å; Q40-Y61 WeakPolarHBondContact CA-O 3.11Å; Q40-Y61 HydrophobicContact CB-CD2 4.35Å; Q40-Y61 HydrophobicContact CB-CE1 4.38Å; Q40-Y61 HydrophobicContact CB-CE2 3.68Å; Q40-Y61 HydrophobicContact CG-CD2 4Å; Q40-Y61 HydrophobicContact CG-CE2 3.31Å; I41-Y61 WeakPolarHBondContact CG1-O 3.26Å; I41-Y61 PolarHBondContact N-O 3.35Å; Y61-K64 HydrophobicContact CD2-CB 4.04Å; Y61-K64 HydrophobicContact CE1-CD 4.43Å; Y61-K64 HydrophobicContact CE2-CB 3.6Å; Y61-K64 HydrophobicContact CE2-CD 4.25Å; Y61-L67 HydrophobicContact CE2-CD2 3.98Å; Y61-L67 WeakPolarHBondContact OH-CD2 3.34Å; Y61-D70 PolarHBondContact OH-OD2 2.6Å
62R87.9Confident88.2Confident90 Ų9072.2 Ų72.234%0.3436%0.363SS..SBendtrans-88.5-60.5178.2-79.1178.2-178.5-93.66.5112.9Q40 I41 G42 G44Q40-R62 PolarHBondContact NE2-O 2.79Å; I41-R62 HydrophobicContact CD1-CG 3.72Å; I41-R62 HydrophobicContact CG1-CB 4.46Å; I41-R62 HydrophobicContact CG1-CG 3.62Å; I41-R62 CarbonylContact O-C 3.58Å; I41-R62 WeakPolarHBondContact O-CA 3.27Å; G42-R62 PolarHBondContact O-NH1 2.82Å; G44-R62 PolarHBondContact O-NH1 3.32Å; G44-R62 PolarHBondContact O-NH2 3.02Å
63Y83.1Confident88Confident139 Ų13974.5 Ų74.555%0.54536%0.362SS..  trans-128.9146.9-176.6-53.2-70.3000109.5R43R43-Y63 WeakPolarHBondContact CG-OH 3.45Å
64K82.9Confident88.1Confident93 Ų9371 Ų7140%0.40434%0.341SS..  trans-144.4146.7175.3-171.5174.1175.7177.70107.1Y61 S66 L67 D70Y61-K64 HydrophobicContact CD2-CB 4.04Å; Y61-K64 HydrophobicContact CE1-CD 4.43Å; Y61-K64 HydrophobicContact CE2-CB 3.6Å; Y61-K64 HydrophobicContact CE2-CD 4.25Å; K64-S66 PolarHBondContact O-N 2.99Å; K64-S66 VanDerWaalsContact O-N 3.17Å; K64-L67 HydrophobicContact CB-CD2 4.38Å; K64-D70 WeakPolarHBondContact CD-OD2 3.3Å; K64-D70 IonicContact NZ-OD1 2.68Å; K64-D70 PolarHBondContact NZ-OD1 3.2Å; K64-D70 IonicContact NZ-OD2 2.73Å; K64-D70 PolarHBondContact NZ-OD2 3.41Å
65D77.7Confident88.1Confident180 Ų18064.4 Ų64.496%0.96331%0.313SS*.SBendtrans-61.7-25.9-177.5-62.1-38000112.7
66S80.2Confident88.1Confident47 Ų4762.9 Ų62.933%0.32930%0.299SS..  trans-150.9124.1178.8-178.20000111.4K64 K68K64-S66 PolarHBondContact O-N 2.99Å; K64-S66 VanDerWaalsContact O-N 3.17Å; S66-K68 VanDerWaalsContact C-N 3.34Å; S66-K68 WeakPolarHBondContact OG-CB 3.37Å; S66-K68 PolarHBondContact OG-N 3.18Å
67L83.2Confident88Confident31 Ų3162.7 Ų62.716%0.16230%0.299CS..SBendtrans-83.6-13.6170.8-53.8-176.3000112F5 Q40 Y61 K64 E69 D70 I71F5-L67 HydrophobicContact CZ-CD2 4.24Å; Q40-L67 HydrophobicContact CG-CD2 4.01Å; Y61-L67 HydrophobicContact CE2-CD2 3.98Å; Y61-L67 WeakPolarHBondContact OH-CD2 3.34Å; K64-L67 HydrophobicContact CB-CD2 4.38Å; L67-E69 VanDerWaalsContact C-N 3.25Å; L67-E69 PolarHBondContact O-N 2.8Å; L67-D70 PolarHBondContact O-N 3.47Å; L67-I71 HydrophobicContact CB-CD1 4.22Å; L67-I71 WeakPolarHBondContact O-CG1 3.32Å; L67-I71 PolarHBondContact O-N 3.06Å
68K83.7Confident87.7Confident116 Ų11662.3 Ų62.350%0.50430%0.295SS..Hα-helixtrans-52.2-43.5-176.1-70.3179.3177.2-177.80112.6S66 Q72 E88S66-K68 VanDerWaalsContact C-N 3.34Å; S66-K68 WeakPolarHBondContact OG-CB 3.37Å; S66-K68 PolarHBondContact OG-N 3.18Å; K68-Q72 WeakPolarHBondContact O-CB 3.43Å; K68-Q72 PolarHBondContact O-N 2.86Å; K68-E88 WeakPolarHBondContact CA-OE1 3.35Å; K68-E88 WeakPolarHBondContact CG-OE1 3.32Å; K68-E88 PolarHBondContact N-OE1 3.17Å
69E86.6Confident87.3Confident102 Ų10262.1 Ų62.148%0.47729%0.294SS..Hα-helixtrans-67.3-39-179.4-71.8-165.9-161.800112.5L67 Q72 K73L67-E69 VanDerWaalsContact C-N 3.25Å; L67-E69 PolarHBondContact O-N 2.8Å; E69-Q72 PolarHBondContact O-N 2.81Å; E69-K73 WeakPolarHBondContact O-CB 3.43Å; E69-K73 WeakPolarHBondContact O-CD 3.34Å; E69-K73 VanDerWaalsContact O-CG 3.23Å; E69-K73 WeakPolarHBondContact O-CG 3.33Å; E69-K73 PolarHBondContact O-N 3.16Å; E69-K73 IonicContact OE2-NZ 2.91Å; E69-K73 PolarHBondContact OE2-NZ 2.84Å
70D89.1Confident86.5Confident10 Ų1060 Ų605%0.05328%0.283CS..Hα-helixtrans-71.5-42.8-178.6-61.5-33.9000109.9F5 Y61 K64 L67 Q72 K73 A74F5-D70 HydrophobicContact CD1-CB 4.4Å; F5-D70 HydrophobicContact CD2-CB 3.93Å; F5-D70 HydrophobicContact CE1-CB 4.32Å; F5-D70 HydrophobicContact CE2-CB 3.84Å; F5-D70 HydrophobicContact CG-CB 4.22Å; F5-D70 HydrophobicContact CZ-CB 4.04Å; Y61-D70 PolarHBondContact OH-OD2 2.6Å; K64-D70 WeakPolarHBondContact CD-OD2 3.3Å; K64-D70 IonicContact NZ-OD1 2.68Å; K64-D70 PolarHBondContact NZ-OD1 3.2Å; K64-D70 IonicContact NZ-OD2 2.73Å; K64-D70 PolarHBondContact NZ-OD2 3.41Å; L67-D70 PolarHBondContact O-N 3.47Å; D70-Q72 VanDerWaalsContact C-N 3.32Å; D70-Q72 PolarHBondContact O-N 2.78Å; D70-K73 PolarHBondContact O-N 2.84Å; D70-A74 VanDerWaalsContact O-CB 3.24Å; D70-A74 WeakPolarHBondContact O-CB 3.36Å; D70-A74 PolarHBondContact O-N 2.89Å
71I87.5Confident85.3Confident0 Ų058.9 Ų58.90%028%0.276CS..Hα-helixtrans-59.6-42.9171.9-66.5170.4000110.8F5 L67 A74 V77 E88 T89 K92 K94F5-I71 HydrophobicContact CD1-CG1 3.88Å; F5-I71 HydrophobicContact CE1-CG1 3.76Å; L67-I71 HydrophobicContact CB-CD1 4.22Å; L67-I71 WeakPolarHBondContact O-CG1 3.32Å; L67-I71 PolarHBondContact O-N 3.06Å; I71-A74 PolarHBondContact O-N 2.87Å; I71-V77 HydrophobicContact CG2-CG2 4.32Å; I71-E88 HydrophobicContact CD1-CB 4.22Å; I71-E88 HydrophobicContact CD1-CG 3.9Å; I71-T89 HydrophobicContact CG2-CG2 4.45Å; I71-K92 HydrophobicContact CG2-CB 4.28Å; I71-K92 HydrophobicContact CG2-CG 4.22Å; I71-K94 HydrophobicContact CG2-CG 4.26Å; I71-K94 WeakPolarHBondContact O-CE 3.18Å
72Q88.6Confident84.2Confident116 Ų11657.9 Ų57.954%0.54228%0.279SS..Hα-helixtrans-68.1-37.4-179.8-178.3172.1-12.900112.7K68 E69 D70 K94K68-Q72 WeakPolarHBondContact O-CB 3.43Å; K68-Q72 PolarHBondContact O-N 2.86Å; E69-Q72 PolarHBondContact O-N 2.81Å; D70-Q72 VanDerWaalsContact C-N 3.32Å; D70-Q72 PolarHBondContact O-N 2.78Å; Q72-K94 VanDerWaalsContact O-CE 3.23Å; Q72-K94 WeakPolarHBondContact O-CE 3.22Å; Q72-K94 PolarHBondContact O-NZ 2.91Å
73K89.2Confident83.4Confident130 Ų13056.2 Ų56.257%0.56529%0.285SS*.Hα-helixtrans-79.5-21.7178.1-71.4165.7-178.3161.10112.5E69 D70E69-K73 WeakPolarHBondContact O-CB 3.43Å; E69-K73 WeakPolarHBondContact O-CD 3.34Å; E69-K73 VanDerWaalsContact O-CG 3.23Å; E69-K73 WeakPolarHBondContact O-CG 3.33Å; E69-K73 PolarHBondContact O-N 3.16Å; E69-K73 IonicContact OE2-NZ 2.91Å; E69-K73 PolarHBondContact OE2-NZ 2.84Å; D70-K73 PolarHBondContact O-N 2.84Å
74A91.3Very high83Confident0 Ų052.1 Ų52.10%028%0.284CS..  trans-69.2141.217800000112.1F5 D70 I71 V77 K94F5-A74 HydrophobicContact CB-CB 3.65Å; D70-A74 VanDerWaalsContact O-CB 3.24Å; D70-A74 WeakPolarHBondContact O-CB 3.36Å; D70-A74 PolarHBondContact O-N 2.89Å; I71-A74 PolarHBondContact O-N 2.87Å; A74-V77 HydrophobicContact CB-CG2 3.88Å; A74-K94 PolarHBondContact O-NZ 2.79Å
75D90.4Very high82.6Confident70 Ų7048.4 Ų48.437%0.37427%0.27SS..SBendtrans-88.8-25.6167.6-60.3-82000110.8K2 C3 Y34 P95K2-D75 WeakPolarHBondContact CA-OD2 3.49Å; C3-D75 PolarHBondContact N-OD2 2.94Å; C3-D75 PolarHBondContact O-N 2.83Å; Y34-D75 HydrophobicContact CE1-CB 4.16Å; D75-P95 WeakPolarHBondContact O-CG 3.36Å
76L88.3Confident82.6Confident33 Ų3339.9 Ų39.917%0.17323%0.225CC..EExtended strand (participates in β ladder)trans-140.6130.2176.5-179.964.5000109.9C3 V4 F5 Y34 I78 P95 V97C3-L76 PolarHBondContact O-N 3.18Å; V4-L76 WeakPolarHBondContact CA-O 3.47Å; V4-L76 HydrophobicContact CG1-CD2 4.29Å; V4-L76 HydrophobicContact CG1-CG 4.48Å; V4-L76 HydrophobicContact CG2-CB 4.38Å; V4-L76 HydrophobicContact CG2-CD2 4.34Å; F5-L76 PolarHBondContact N-O 2.87Å; Y34-L76 HydrophobicContact CE1-CB 4.15Å; L76-I78 HydrophobicContact CD2-CG1 4.44Å; L76-I78 HydrophobicContact CG-CG1 4.4Å; L76-P95 HydrophobicContact CD1-CB 4.11Å; L76-V97 HydrophobicContact CD1-CG2 3.82Å
77V89.9Confident82.5Confident1 Ų142 Ų421%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-110.2127.9172.7-1790000109.6F5 T7 I71 A74 T89 P95 L96 V97F5-V77 HydrophobicContact CD1-CG1 4.09Å; F5-V77 HydrophobicContact CD1-CG2 4.4Å; F5-V77 CarbonylContact O-C 3.57Å; F5-V77 VanDerWaalsContact O-CA 3.3Å; F5-V77 WeakPolarHBondContact O-CA 3.24Å; T7-V77 HydrophobicContact CG2-CG1 4.42Å; I71-V77 HydrophobicContact CG2-CG2 4.32Å; A74-V77 HydrophobicContact CB-CG2 3.88Å; V77-T89 HydrophobicContact CB-CG2 3.71Å; V77-T89 HydrophobicContact CG1-CG2 4.05Å; V77-T89 HydrophobicContact CG2-CG2 3.83Å; V77-P95 PolarHBondContact N-O 2.73Å; V77-L96 HydrophobicContact CB-CD1 4.31Å; V77-L96 HydrophobicContact CG1-CD1 4.03Å; V77-L96 CarbonylContact O-C 3.58Å; V77-L96 WeakPolarHBondContact O-CA 3.2Å; V77-V97 PolarHBondContact O-N 3.24Å
78I87.7Confident82.3Confident25 Ų2542.6 Ų42.613%0.12823%0.234CC..EExtended strand (participates in β ladder)trans-110116.4172-52.6-178.3000107.2V4 F5 V6 T7 L76 V97 V99V4-I78 HydrophobicContact CG1-CD1 3.89Å; V4-I78 HydrophobicContact CG1-CG1 4.12Å; F5-I78 PolarHBondContact O-N 3.34Å; V6-I78 CarbonylContact C-O 3.39Å; V6-I78 VanDerWaalsContact CA-O 3.22Å; V6-I78 WeakPolarHBondContact CA-O 3.41Å; V6-I78 HydrophobicContact CB-CB 4.42Å; V6-I78 HydrophobicContact CG1-CB 4.19Å; V6-I78 HydrophobicContact CG1-CG2 4.3Å; V6-I78 HydrophobicContact CG2-CB 4.07Å; V6-I78 HydrophobicContact CG2-CD1 4.19Å; V6-I78 HydrophobicContact CG2-CG1 4.41Å; T7-I78 PolarHBondContact N-O 2.85Å; L76-I78 HydrophobicContact CD2-CG1 4.44Å; L76-I78 HydrophobicContact CG-CG1 4.4Å; I78-V97 CarbonylContact C-O 3.52Å; I78-V97 VanDerWaalsContact CA-O 3.32Å; I78-V97 WeakPolarHBondContact CA-O 3.43Å; I78-V97 HydrophobicContact CG1-CB 4.22Å; I78-V97 HydrophobicContact CG2-CB 4.49Å; I78-V97 HydrophobicContact CG2-CG1 4.45Å; I78-V99 HydrophobicContact CG2-CG2 3.51Å
79S85.2Confident82.2Confident0 Ų037 Ų370%021%0.21CC..EExtended strand (participates in β ladder)trans-121.5135.2-179.2-167.40000110.2T7 S85 V97 V98 V99T7-S79 WeakPolarHBondContact O-CA 3.27Å; S79-S85 WeakPolarHBondContact OG-CB 3.49Å; S79-V97 PolarHBondContact N-O 2.93Å; S79-V98 CarbonylContact O-C 3.6Å; S79-V98 VanDerWaalsContact O-CA 3.26Å; S79-V98 WeakPolarHBondContact O-CA 3.44Å; S79-V99 PolarHBondContact O-N 3.32Å
80H78.6Confident81.9Confident5 Ų534.4 Ų34.42%0.02320%0.199CC..EExtended strand (participates in β ladder)trans-65.1138.6155.8138.6-82.1000108T7 V8 T11 F13 L16 G82 V99 Q109T7-H80 PolarHBondContact O-N 3.15Å; V8-H80 HydrophobicContact CG1-CB 4.46Å; T11-H80 PolarHBondContact OG1-CE1 2.92Å; T11-H80 PolarHBondContact OG1-ND1 3.43Å; F13-H80 HydrophobicContact CD1-CB 3.61Å; F13-H80 AromaticContact CD1-CD2 3.98Å; F13-H80 HydrophobicContact CE1-CB 4.08Å; L16-H80 HydrophobicContact CD2-CB 4.39Å; H80-G82 PolarHBondContact O-N 3.41Å; H80-V99 VanDerWaalsContact CA-O 3.3Å; H80-V99 WeakPolarHBondContact CA-O 3.25Å; H80-Q109 PolarHBondContact NE2-NE2 2.95Å
81A67.2Low81.5Confident5 Ų541.5 Ų41.54%0.04123%0.232CC..SBendtrans-53.832.6-170.600000118A83 V98 V99 Q109A81-A83 PolarHBondContact O-N 3.07Å; A81-V98 HydrophobicContact CB-CG1 3.43Å; A81-V98 VanDerWaalsContact CB-CG1 3.43Å; A81-V99 PolarHBondContact N-O 3.4Å; A81-Q109 HydrophobicContact CB-CB 3.77Å; A81-Q109 HydrophobicContact CB-CG 3.97Å
82G70.9Confident81.2Confident23 Ų2346.1 Ų46.124%0.23725%0.252CS..  trans-64.9124.3164.600000110H80 G84 S85 C86H80-G82 PolarHBondContact O-N 3.41Å; G82-G84 VanDerWaalsContact C-N 3.26Å; G82-G84 PolarHBondContact O-N 2.61Å; G82-S85 PolarHBondContact O-N 2.61Å; G82-C86 PolarHBondContact O-N 3.25Å; G82-C86 PolarHBondContact O-SG 3.32Å
83A69.5Low80.9Confident55 Ų5543.9 Ų43.946%0.45526%0.259SS..Hα-helixtrans-55-39.5-175.700000113A81 L87A81-A83 PolarHBondContact O-N 3.07Å; A83-L87 VanDerWaalsContact O-CB 3.27Å; A83-L87 WeakPolarHBondContact O-CB 3.46Å; A83-L87 WeakPolarHBondContact O-CD1 3.49Å; A83-L87 WeakPolarHBondContact O-CG 3.36Å; A83-L87 PolarHBondContact O-N 3.3Å
84G75.3Confident80.6Confident52 Ų5240.2 Ų40.254%0.53624%0.244SC..Hα-helixtrans-62.2-56.7-178.100000113.5G82 C86 L87 E88G82-G84 VanDerWaalsContact C-N 3.26Å; G82-G84 PolarHBondContact O-N 2.61Å; G84-C86 VanDerWaalsContact C-N 3.3Å; G84-C86 PolarHBondContact O-N 3.21Å; G84-L87 PolarHBondContact O-N 3.08Å; G84-E88 WeakPolarHBondContact O-CB 3.47Å; G84-E88 PolarHBondContact O-N 2.85Å
85S75.4Confident80.3Confident15 Ų1543.6 Ų43.611%0.10527%0.266CS..Hα-helixtrans-63.9-35.7179.9-55.50000112.5S79 G82 T89S79-S85 WeakPolarHBondContact OG-CB 3.49Å; G82-S85 PolarHBondContact O-N 2.61Å; S85-T89 WeakPolarHBondContact O-CB 3.2Å; S85-T89 PolarHBondContact O-N 3.17Å; S85-T89 VanDerWaalsContact O-N 3.15Å; S85-T89 PolarHBondContact O-OG1 2.89Å
86C76Confident79.9Confident1 Ų140.4 Ų40.41%0.00725%0.248CC..Hα-helixtrans-66.6-50.8176.8-66.30000111.5G82 G84 E88 T89 L90 L96 L112G82-C86 PolarHBondContact O-N 3.25Å; G82-C86 PolarHBondContact O-SG 3.32Å; G84-C86 VanDerWaalsContact C-N 3.3Å; G84-C86 PolarHBondContact O-N 3.21Å; C86-E88 VanDerWaalsContact C-N 3.35Å; C86-E88 PolarHBondContact O-N 2.74Å; C86-T89 PolarHBondContact O-N 3.22Å; C86-L90 WeakPolarHBondContact O-CD1 3.47Å; C86-L90 VanDerWaalsContact O-CG 3.24Å; C86-L90 WeakPolarHBondContact O-CG 3.31Å; C86-L90 PolarHBondContact O-N 2.91Å; C86-L96 HydrophobicContact CB-CD2 3.97Å; C86-L112 HydrophobicContact CB-CD2 4.38Å
87L78.1Confident79.7Confident93 Ų9340.1 Ų40.149%0.48725%0.248SC..Hα-helixtrans-57.8-47178.3-77.1164000111.3A83 G84 T89 L90 E91A83-L87 VanDerWaalsContact O-CB 3.27Å; A83-L87 WeakPolarHBondContact O-CB 3.46Å; A83-L87 WeakPolarHBondContact O-CD1 3.49Å; A83-L87 WeakPolarHBondContact O-CG 3.36Å; A83-L87 PolarHBondContact O-N 3.3Å; G84-L87 PolarHBondContact O-N 3.08Å; L87-T89 VanDerWaalsContact C-N 3.28Å; L87-T89 PolarHBondContact O-N 3.43Å; L87-L90 PolarHBondContact O-N 2.94Å; L87-E91 WeakPolarHBondContact O-CB 3.35Å; L87-E91 WeakPolarHBondContact O-CG 3.36Å; L87-E91 PolarHBondContact O-N 3.41Å
88E80.9Confident79.2Confident42 Ų4240.2 Ų40.220%0.19625%0.248CC..Hα-helixtrans-62.6-35.7-179.5-168.4175.1156.700112.5K68 I71 G84 C86 K92K68-E88 WeakPolarHBondContact CA-OE1 3.35Å; K68-E88 WeakPolarHBondContact CG-OE1 3.32Å; K68-E88 PolarHBondContact N-OE1 3.17Å; I71-E88 HydrophobicContact CD1-CB 4.22Å; I71-E88 HydrophobicContact CD1-CG 3.9Å; G84-E88 WeakPolarHBondContact O-CB 3.47Å; G84-E88 PolarHBondContact O-N 2.85Å; C86-E88 VanDerWaalsContact C-N 3.35Å; C86-E88 PolarHBondContact O-N 2.74Å; E88-K92 VanDerWaalsContact O-CG 3.26Å; E88-K92 WeakPolarHBondContact O-CG 3.38Å; E88-K92 PolarHBondContact O-N 3.15Å
89T81.6Confident78.8Confident0 Ų039.2 Ų39.20%024%0.244CC..Hα-helixtrans-69.6-42.7175.9-56.40000111.8I71 V77 S85 C86 L87 K92 G93 K94 L96I71-T89 HydrophobicContact CG2-CG2 4.45Å; V77-T89 HydrophobicContact CB-CG2 3.71Å; V77-T89 HydrophobicContact CG1-CG2 4.05Å; V77-T89 HydrophobicContact CG2-CG2 3.83Å; S85-T89 WeakPolarHBondContact O-CB 3.2Å; S85-T89 PolarHBondContact O-N 3.17Å; S85-T89 VanDerWaalsContact O-N 3.15Å; S85-T89 PolarHBondContact O-OG1 2.89Å; C86-T89 PolarHBondContact O-N 3.22Å; L87-T89 VanDerWaalsContact C-N 3.28Å; L87-T89 PolarHBondContact O-N 3.43Å; T89-K92 PolarHBondContact O-N 3.39Å; T89-G93 PolarHBondContact O-N 3.23Å; T89-K94 HydrophobicContact CG2-CB 3.71Å; T89-K94 PolarHBondContact O-N 2.89Å; T89-L96 HydrophobicContact CG2-CB 3.81Å; T89-L96 HydrophobicContact CG2-CD1 3.95Å; T89-L96 HydrophobicContact CG2-CD2 4.45Å; T89-L96 HydrophobicContact CG2-CG 4.25Å
90L78.7Confident78.2Confident46 Ų4639.8 Ų39.824%0.24125%0.246CC..Hα-helixtrans-66.2-42.2178.1-67.7163.4000111.8C86 L87 K92 G93 L96 L116 H121C86-L90 WeakPolarHBondContact O-CD1 3.47Å; C86-L90 VanDerWaalsContact O-CG 3.24Å; C86-L90 WeakPolarHBondContact O-CG 3.31Å; C86-L90 PolarHBondContact O-N 2.91Å; L87-L90 PolarHBondContact O-N 2.94Å; L90-K92 PolarHBondContact O-N 2.79Å; L90-G93 PolarHBondContact O-N 2.58Å; L90-L96 HydrophobicContact CD2-CD2 4.3Å; L90-L96 HydrophobicContact CG-CD2 4.08Å; L90-L116 HydrophobicContact CD1-CD1 3.67Å; L90-L116 HydrophobicContact CD1-CD2 3.32Å; L90-L116 HydrophobicContact CD1-CG 4.14Å; L90-L116 HydrophobicContact CD2-CD2 3.89Å; L90-L116 HydrophobicContact CG-CD2 4.24Å; L90-H121 HydrophobicContact CD2-CB 4.37Å
91E82.3Confident77.9Confident160 Ų16039.9 Ų39.975%0.74825%0.247SC*.Hα-helixtrans-57.5-29.3174.1-77-178.7167.100112.2L87L87-E91 WeakPolarHBondContact O-CB 3.35Å; L87-E91 WeakPolarHBondContact O-CG 3.36Å; L87-E91 PolarHBondContact O-N 3.41Å
92K80.9Confident77.8Confident97 Ų9744.6 Ų44.642%0.42227%0.268SS..THydrogen-bonded Turntrans-88-1.2176.9-66.4-70.2-178.1176.70113.7I71 E88 T89 L90 K94I71-K92 HydrophobicContact CG2-CB 4.28Å; I71-K92 HydrophobicContact CG2-CG 4.22Å; E88-K92 VanDerWaalsContact O-CG 3.26Å; E88-K92 WeakPolarHBondContact O-CG 3.38Å; E88-K92 PolarHBondContact O-N 3.15Å; T89-K92 PolarHBondContact O-N 3.39Å; L90-K92 PolarHBondContact O-N 2.79Å; K92-K94 HydrophobicContact CB-CG 3.87Å; K92-K94 PolarHBondContact O-N 3.23Å
93G81.1Confident77.3Confident68 Ų6850.8 Ų50.870%0.70129%0.289SS*.THydrogen-bonded Turntrans61.627.7-177.900000113.1T89 L90T89-G93 PolarHBondContact O-N 3.23Å; L90-G93 PolarHBondContact O-N 2.58Å
94K84.2Confident76.8Confident54 Ų5452.3 Ų52.324%0.23529%0.289CS..  trans-89145.8-176.7-69.8-66.4-169.3161.80111.2I71 Q72 A74 T89 K92 L96I71-K94 HydrophobicContact CG2-CG 4.26Å; I71-K94 WeakPolarHBondContact O-CE 3.18Å; Q72-K94 VanDerWaalsContact O-CE 3.23Å; Q72-K94 WeakPolarHBondContact O-CE 3.22Å; Q72-K94 PolarHBondContact O-NZ 2.91Å; A74-K94 PolarHBondContact O-NZ 2.79Å; T89-K94 HydrophobicContact CG2-CB 3.71Å; T89-K94 PolarHBondContact O-N 2.89Å; K92-K94 HydrophobicContact CB-CG 3.87Å; K92-K94 PolarHBondContact O-N 3.23Å; K94-L96 PolarHBondContact O-N 2.77Å
95P83.4Confident75.6Confident71 Ų7155 Ų5546%0.46129%0.288SS..  trans-58.2122171.9-23.634.8000110.8D75 L76 V77D75-P95 WeakPolarHBondContact O-CG 3.36Å; L76-P95 HydrophobicContact CD1-CB 4.11Å; V77-P95 PolarHBondContact N-O 2.73Å
96L83.2Confident74.5Confident3 Ų359.8 Ų59.82%0.01631%0.313CS..EExtended strand (participates in β ladder)trans-118.5125.8-176.6178.560.9000110.7V77 C86 T89 L90 K94 V98 L122 F123V77-L96 HydrophobicContact CB-CD1 4.31Å; V77-L96 HydrophobicContact CG1-CD1 4.03Å; V77-L96 CarbonylContact O-C 3.58Å; V77-L96 WeakPolarHBondContact O-CA 3.2Å; C86-L96 HydrophobicContact CB-CD2 3.97Å; T89-L96 HydrophobicContact CG2-CB 3.81Å; T89-L96 HydrophobicContact CG2-CD1 3.95Å; T89-L96 HydrophobicContact CG2-CD2 4.45Å; T89-L96 HydrophobicContact CG2-CG 4.25Å; L90-L96 HydrophobicContact CD2-CD2 4.3Å; L90-L96 HydrophobicContact CG-CD2 4.08Å; K94-L96 PolarHBondContact O-N 2.77Å; L96-V98 HydrophobicContact CD1-CG2 4.4Å; L96-V98 HydrophobicContact CD2-CG2 4.03Å; L96-V98 HydrophobicContact CG-CG2 3.97Å; L96-L122 HydrophobicContact CD2-CD1 3.79Å; L96-L122 HydrophobicContact CG-CD1 4.11Å; L96-F123 PolarHBondContact O-N 2.89Å
97V83.1Confident73.5Confident27 Ų2765.6 Ų65.616%0.16434%0.344CS..EExtended strand (participates in β ladder)trans-107122.7168.1177.80000108.3L76 V77 I78 S79 F123L76-V97 HydrophobicContact CD1-CG2 3.82Å; V77-V97 PolarHBondContact O-N 3.24Å; I78-V97 CarbonylContact C-O 3.52Å; I78-V97 VanDerWaalsContact CA-O 3.32Å; I78-V97 WeakPolarHBondContact CA-O 3.43Å; I78-V97 HydrophobicContact CG1-CB 4.22Å; I78-V97 HydrophobicContact CG2-CB 4.49Å; I78-V97 HydrophobicContact CG2-CG1 4.45Å; S79-V97 PolarHBondContact N-O 2.93Å; V97-F123 CarbonylContact C-O 3.5Å; V97-F123 VanDerWaalsContact CA-O 3.22Å; V97-F123 WeakPolarHBondContact CA-O 3.32Å; V97-F123 HydrophobicContact CG2-CB 4.37Å
98V80.8Confident72.4Confident2 Ų268.8 Ų68.81%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-101.1120179.1175.80000110.5S79 A81 L96 A113 L122 F123 Y124 C125S79-V98 CarbonylContact O-C 3.6Å; S79-V98 VanDerWaalsContact O-CA 3.26Å; S79-V98 WeakPolarHBondContact O-CA 3.44Å; A81-V98 HydrophobicContact CB-CG1 3.43Å; A81-V98 VanDerWaalsContact CB-CG1 3.43Å; L96-V98 HydrophobicContact CD1-CG2 4.4Å; L96-V98 HydrophobicContact CD2-CG2 4.03Å; L96-V98 HydrophobicContact CG-CG2 3.97Å; V98-A113 HydrophobicContact CG1-CB 4.39Å; V98-L122 HydrophobicContact CB-CD1 4.37Å; V98-L122 HydrophobicContact CB-CD2 3.98Å; V98-L122 HydrophobicContact CB-CG 4.46Å; V98-L122 HydrophobicContact CG2-CD1 3.42Å; V98-L122 VanDerWaalsContact CG2-CD1 3.42Å; V98-L122 HydrophobicContact CG2-CD2 3.94Å; V98-L122 HydrophobicContact CG2-CG 3.95Å; V98-F123 PolarHBondContact N-O 3.4Å; V98-Y124 WeakPolarHBondContact O-CA 3.44Å; V98-Y124 WeakPolarHBondContact O-CB 3.3Å; V98-C125 PolarHBondContact O-N 3.38Å; V98-C125 VanDerWaalsContact O-N 3.14Å
99V78.9Confident71.2Confident5 Ų568.6 Ų68.63%0.0336%0.355CS..EExtended strand (participates in β ladder)trans-96.3121.8173.6-166.80000109.5F13 L16 I78 S79 H80 A81 C125F13-V99 HydrophobicContact CE1-CB 4.38Å; F13-V99 HydrophobicContact CE1-CG1 4.04Å; F13-V99 HydrophobicContact CZ-CG1 4.27Å; L16-V99 HydrophobicContact CD1-CB 4.15Å; L16-V99 HydrophobicContact CD1-CG1 4.06Å; L16-V99 HydrophobicContact CD1-CG2 3.82Å; L16-V99 HydrophobicContact CD2-CB 4.13Å; L16-V99 HydrophobicContact CD2-CG2 4.21Å; I78-V99 HydrophobicContact CG2-CG2 3.51Å; S79-V99 PolarHBondContact O-N 3.32Å; H80-V99 VanDerWaalsContact CA-O 3.3Å; H80-V99 WeakPolarHBondContact CA-O 3.25Å; A81-V99 PolarHBondContact N-O 3.4Å; V99-C125 WeakPolarHBondContact CA-O 3.34Å; V99-C125 WeakPolarHBondContact CG1-O 3.02Å
100I73.3Confident70.1Confident11 Ų1170.9 Ų70.96%0.05637%0.367CS..EExtended strand (participates in β ladder)trans-86125.4-179.5-57.2176.4000108.4E102 L110 A113 Y124 C125I100-E102 PolarHBondContact O-N 2.9Å; I100-L110 HydrophobicContact CD1-CD1 3.67Å; I100-A113 HydrophobicContact CD1-CB 4.3Å; I100-Y124 HydrophobicContact CD1-CD2 3.98Å; I100-Y124 HydrophobicContact CD1-CG 4.48Å; I100-C125 PolarHBondContact N-O 2.87Å; I100-C125 VanDerWaalsContact N-O 3.16Å
101N70.8Confident69.3Low7 Ų773.6 Ų73.64%0.03738%0.379CS..  trans-85.5101.4171.1-171.8-12.9000109.8F13 K103 L104F13-N101 HydrophobicContact CD1-CB 3.99Å; F13-N101 HydrophobicContact CD2-CB 4.17Å; F13-N101 VanDerWaalsContact CD2-ND2 3.28Å; F13-N101 WeakPolarHBondContact CD2-ND2 3.14Å; F13-N101 HydrophobicContact CE1-CB 3.6Å; F13-N101 HydrophobicContact CE2-CB 3.82Å; F13-N101 VanDerWaalsContact CE2-CG 3.43Å; F13-N101 HydrophobicContact CG-CB 4.24Å; F13-N101 HydrophobicContact CZ-CB 3.51Å; N101-K103 PolarHBondContact O-N 2.96Å; N101-K103 WeakPolarHBondContact OD1-CB 3.34Å; N101-K103 PolarHBondContact OD1-N 2.91Å; N101-L104 HydrophobicContact CB-CB 4.35Å; N101-L104 VanDerWaalsContact ND2-CD1 3.34Å; N101-L104 WeakPolarHBondContact ND2-CD1 3.34Å; N101-L104 PolarHBondContact O-N 2.78Å
102E65Low68.2Low104 Ų10468.5 Ų68.549%0.48636%0.356SS..G310 helixtrans-64-22178.7-60.3-176.6129.700112.7I100 T126 S128I100-E102 PolarHBondContact O-N 2.9Å; E102-T126 HydrophobicContact CG-CG2 4.33Å; E102-S128 PolarHBondContact OE2-OG 2.86Å
103K61.5Low67.3Low154 Ų15464 Ų6467%0.6734%0.337SS*.G310 helixtrans-81.3-22.5-179.3-60.6-180179.7170.10113.7D15 N101D15-K103 IonicContact OD1-NZ 3.25Å; D15-K103 PolarHBondContact OD1-NZ 3.41Å; D15-K103 WeakPolarHBondContact OD2-CD 3.38Å; D15-K103 WeakPolarHBondContact OD2-CE 3.46Å; D15-K103 IonicContact OD2-NZ 2.8Å; D15-K103 PolarHBondContact OD2-NZ 2.66Å; N101-K103 PolarHBondContact O-N 2.96Å; N101-K103 WeakPolarHBondContact OD1-CB 3.34Å; N101-K103 PolarHBondContact OD1-N 2.91Å
104L59.3Low66.3Low86 Ų8665.4 Ų65.445%0.4532%0.324SS..G310 helixtrans-102.312.5-179.6-83.5170.7000112.7N101 N106N101-L104 HydrophobicContact CB-CB 4.35Å; N101-L104 VanDerWaalsContact ND2-CD1 3.34Å; N101-L104 WeakPolarHBondContact ND2-CD1 3.34Å; N101-L104 PolarHBondContact O-N 2.78Å; L104-N106 PolarHBondContact O-N 3.34Å
105M49.5Very low65Low108 Ų10868.9 Ų68.953%0.53234%0.341SS..  trans-51.9104.8-161.4-151.8-179.3-166.900113.5
106N52.7Low63.8Low117 Ų11766.1 Ų66.163%0.62632%0.322SS*.  trans-108.1128.1154.3-82-17000106.9L104 H108 Q109L104-N106 PolarHBondContact O-N 3.34Å; N106-H108 PolarHBondContact O-N 3.49Å; N106-Q109 PolarHBondContact O-N 3.17Å
107N53.6Low62.5Low122 Ų12270.5 Ų70.565%0.65234%0.342SS*.THydrogen-bonded Turntrans-52.1-17.8-172.2-72.1-29.3000115.5Q109N107-Q109 PolarHBondContact O-N 3.2Å
108H56.8Low61.2Low160 Ų16078.2 Ų78.274%0.74137%0.374SS*.Hα-helixtrans-67.7-29.5-180-66.4-61000114.8N106 L112N106-H108 PolarHBondContact O-N 3.49Å; H108-L112 PolarHBondContact O-N 3.47Å
109Q54.7Low59.9Low39 Ų3983.9 Ų83.918%0.18240%0.4CS..Hα-helixtrans-70.6-35-179.7-70.4-171.3-4.200112.3H80 A81 N106 N107 L112 A113H80-Q109 PolarHBondContact NE2-NE2 2.95Å; A81-Q109 HydrophobicContact CB-CB 3.77Å; A81-Q109 HydrophobicContact CB-CG 3.97Å; N106-Q109 PolarHBondContact O-N 3.17Å; N107-Q109 PolarHBondContact O-N 3.2Å; Q109-L112 PolarHBondContact O-N 2.92Å; Q109-A113 PolarHBondContact O-N 2.79Å; Q109-A113 VanDerWaalsContact O-N 3.11Å
110L59.4Low58.5Low48 Ų4886.9 Ų86.925%0.25143%0.432SS..Hα-helixtrans-69.1-37.9179.3-174.168.1000111.5I100 A113 K114I100-L110 HydrophobicContact CD1-CD1 3.67Å; L110-A113 PolarHBondContact O-N 2.99Å; L110-K114 HydrophobicContact CG-CD 4.39Å; L110-K114 WeakPolarHBondContact O-CB 3.41Å; L110-K114 VanDerWaalsContact O-CG 3.29Å; L110-K114 WeakPolarHBondContact O-CG 3.28Å; L110-K114 PolarHBondContact O-N 3.38Å
111E61.2Low57.4Low103 Ų10392.1 Ų92.148%0.48146%0.456SS..Hα-helixtrans-65.5-40.7176.8-69.8-58.3122.800111.8K114 Q115E111-K114 PolarHBondContact O-N 3.3Å; E111-K114 IonicContact OE1-NZ 2.93Å; E111-K114 PolarHBondContact OE1-NZ 3.19Å; E111-Q115 WeakPolarHBondContact O-CB 3.49Å; E111-Q115 PolarHBondContact O-N 3.44Å
112L58.8Low56.7Low53 Ų5392 Ų9228%0.27746%0.455SS..Hα-helixtrans-62.1-46.5174-174.565.9000111.5C86 H108 Q109 K114 Q115 L116C86-L112 HydrophobicContact CB-CD2 4.38Å; H108-L112 PolarHBondContact O-N 3.47Å; Q109-L112 PolarHBondContact O-N 2.92Å; L112-K114 PolarHBondContact O-N 3.29Å; L112-Q115 PolarHBondContact O-N 3.38Å; L112-L116 HydrophobicContact CD1-CD1 3.94Å; L112-L116 HydrophobicContact CD1-CG 4.43Å; L112-L116 HydrophobicContact CG-CD1 3.8Å; L112-L116 WeakPolarHBondContact O-CB 3.24Å; L112-L116 WeakPolarHBondContact O-CD1 3.12Å; L112-L116 VanDerWaalsContact O-CG 3.23Å; L112-L116 WeakPolarHBondContact O-CG 3.5Å; L112-L116 PolarHBondContact O-N 3.15Å; L112-L116 VanDerWaalsContact O-N 3.09Å
113A61.5Low56.4Low2 Ų294.5 Ų94.52%0.01746%0.464CS..Hα-helixtrans-62.2-42.117800000112.4V98 I100 Q109 L110 H117 L122V98-A113 HydrophobicContact CG1-CB 4.39Å; I100-A113 HydrophobicContact CD1-CB 4.3Å; Q109-A113 PolarHBondContact O-N 2.79Å; Q109-A113 VanDerWaalsContact O-N 3.11Å; L110-A113 PolarHBondContact O-N 2.99Å; A113-H117 WeakPolarHBondContact O-CB 3.33Å; A113-H117 PolarHBondContact O-N 3.22Å; A113-L122 HydrophobicContact CB-CD2 4.44Å
114K61.1Low56.2Low98 Ų9892.6 Ų92.643%0.42645%0.454SS..Hα-helixtrans-64-43.4176.3-76.4173.6-175.9165.60112.3L110 E111 L112 L116 H117 K118L110-K114 HydrophobicContact CG-CD 4.39Å; L110-K114 WeakPolarHBondContact O-CB 3.41Å; L110-K114 VanDerWaalsContact O-CG 3.29Å; L110-K114 WeakPolarHBondContact O-CG 3.28Å; L110-K114 PolarHBondContact O-N 3.38Å; E111-K114 PolarHBondContact O-N 3.3Å; E111-K114 IonicContact OE1-NZ 2.93Å; E111-K114 PolarHBondContact OE1-NZ 3.19Å; L112-K114 PolarHBondContact O-N 3.29Å; K114-L116 VanDerWaalsContact C-N 3.33Å; K114-L116 PolarHBondContact O-N 3.26Å; K114-H117 PolarHBondContact O-N 2.99Å; K114-K118 PolarHBondContact O-N 3.33Å; K114-K118 VanDerWaalsContact O-N 3.14Å
115Q57.3Low56.1Low126 Ų12691 Ų9159%0.58945%0.449SS*.Hα-helixtrans-65.4-39.9-178.3-166.8163.7-29.700111.1E111 L112 K118 E119E111-Q115 WeakPolarHBondContact O-CB 3.49Å; E111-Q115 PolarHBondContact O-N 3.44Å; L112-Q115 PolarHBondContact O-N 3.38Å; Q115-K118 WeakPolarHBondContact O-CB 3.27Å; Q115-K118 PolarHBondContact O-N 2.87Å; Q115-E119 PolarHBondContact O-N 2.94Å
116L57.3Low56.4Low13 Ų1387.5 Ų87.57%0.06843%0.434CS..Hα-helixtrans-75-31.3178.2-65.5167.2000113.6L90 L112 K114 K118 E119 L122L90-L116 HydrophobicContact CD1-CD1 3.67Å; L90-L116 HydrophobicContact CD1-CD2 3.32Å; L90-L116 HydrophobicContact CD1-CG 4.14Å; L90-L116 HydrophobicContact CD2-CD2 3.89Å; L90-L116 HydrophobicContact CG-CD2 4.24Å; L112-L116 HydrophobicContact CD1-CD1 3.94Å; L112-L116 HydrophobicContact CD1-CG 4.43Å; L112-L116 HydrophobicContact CG-CD1 3.8Å; L112-L116 WeakPolarHBondContact O-CB 3.24Å; L112-L116 WeakPolarHBondContact O-CD1 3.12Å; L112-L116 VanDerWaalsContact O-CG 3.23Å; L112-L116 WeakPolarHBondContact O-CG 3.5Å; L112-L116 PolarHBondContact O-N 3.15Å; L112-L116 VanDerWaalsContact O-N 3.09Å; K114-L116 VanDerWaalsContact C-N 3.33Å; K114-L116 PolarHBondContact O-N 3.26Å; L116-K118 VanDerWaalsContact C-N 3.3Å; L116-E119 PolarHBondContact O-N 3.07Å; L116-L122 HydrophobicContact CB-CB 3.68Å; L116-L122 HydrophobicContact CB-CD1 3.32Å; L116-L122 HydrophobicContact CB-CD2 4.33Å; L116-L122 HydrophobicContact CB-CG 3.96Å; L116-L122 HydrophobicContact CD1-CD1 3.4Å; L116-L122 HydrophobicContact CG-CD1 3.96Å
117H56.8Low56.4Low95 Ų9584.2 Ų84.244%0.4442%0.42SS..Hα-helixtrans-63.8-39.1171.8-176.364.1000111.3A113 K114 E119 G120 L122 Y124A113-H117 WeakPolarHBondContact O-CB 3.33Å; A113-H117 PolarHBondContact O-N 3.22Å; K114-H117 PolarHBondContact O-N 2.99Å; H117-E119 PolarHBondContact O-N 2.68Å; H117-G120 PolarHBondContact O-N 2.88Å; H117-G120 VanDerWaalsContact O-N 3.09Å; H117-L122 PolarHBondContact ND1-O 3.35Å; H117-Y124 HydrophobicContact CB-CD1 4.4Å; H117-Y124 HydrophobicContact CB-CE1 4.44Å
118K55.2Low56Low190 Ų19082.2 Ų82.283%0.82642%0.415SS*.Hα-helixtrans-64.8-26178.3-164.9177.1180-177.70113.1K114 Q115 L116 G120K114-K118 PolarHBondContact O-N 3.33Å; K114-K118 VanDerWaalsContact O-N 3.14Å; Q115-K118 WeakPolarHBondContact O-CB 3.27Å; Q115-K118 PolarHBondContact O-N 2.87Å; L116-K118 VanDerWaalsContact C-N 3.3Å; K118-G120 VanDerWaalsContact C-N 3.32Å
119E52.4Low55.1Low121 Ų12177.7 Ų77.757%0.56540%0.402SS*.THydrogen-bonded Turntrans-86.91.8176.5-67-177.3173.700113.3Q115 L116 H117 H121Q115-E119 PolarHBondContact O-N 2.94Å; L116-E119 PolarHBondContact O-N 3.07Å; H117-E119 PolarHBondContact O-N 2.68Å; E119-H121 PolarHBondContact O-CD2 2.86Å; E119-H121 PolarHBondContact O-N 2.91Å
120G51.4Low54.2Low67 Ų6779.9 Ų79.969%0.69142%0.422SS*.THydrogen-bonded Turntrans75.59.2175.700000114.7H117 K118H117-G120 PolarHBondContact O-N 2.88Å; H117-G120 VanDerWaalsContact O-N 3.09Å; K118-G120 VanDerWaalsContact C-N 3.32Å
121H49.2Very low53Low122 Ų12283.2 Ų83.257%0.56544%0.439SS*.SBendtrans-102.20.1-175.8-67.6-61.6000113.9L90 E119L90-H121 HydrophobicContact CD2-CB 4.37Å; E119-H121 PolarHBondContact O-CD2 2.86Å; E119-H121 PolarHBondContact O-N 2.91Å
122L56.3Low51.3Low3 Ų388 Ų882%0.01645%0.453CS..EExtended strand (participates in β ladder)trans-145.7128.6-165.6-158.1134000114.8L96 V98 A113 L116 H117L96-L122 HydrophobicContact CD2-CD1 3.79Å; L96-L122 HydrophobicContact CG-CD1 4.11Å; V98-L122 HydrophobicContact CB-CD1 4.37Å; V98-L122 HydrophobicContact CB-CD2 3.98Å; V98-L122 HydrophobicContact CB-CG 4.46Å; V98-L122 HydrophobicContact CG2-CD1 3.42Å; V98-L122 VanDerWaalsContact CG2-CD1 3.42Å; V98-L122 HydrophobicContact CG2-CD2 3.94Å; V98-L122 HydrophobicContact CG2-CG 3.95Å; A113-L122 HydrophobicContact CB-CD2 4.44Å; L116-L122 HydrophobicContact CB-CB 3.68Å; L116-L122 HydrophobicContact CB-CD1 3.32Å; L116-L122 HydrophobicContact CB-CD2 4.33Å; L116-L122 HydrophobicContact CB-CG 3.96Å; L116-L122 HydrophobicContact CD1-CD1 3.4Å; L116-L122 HydrophobicContact CG-CD1 3.96Å; H117-L122 PolarHBondContact ND1-O 3.35Å
123F58.3Low50.1Low157 Ų15798 Ų9869%0.68950%0.497SS*.EExtended strand (participates in β ladder)trans-104.2134.8164.6-68-88000108.4L96 V97 V98L96-F123 PolarHBondContact O-N 2.89Å; V97-F123 CarbonylContact C-O 3.5Å; V97-F123 VanDerWaalsContact CA-O 3.22Å; V97-F123 WeakPolarHBondContact CA-O 3.32Å; V97-F123 HydrophobicContact CG2-CB 4.37Å; V98-F123 PolarHBondContact N-O 3.4Å
124Y57.9Low49.5Very low114 Ų114102.8 Ų102.845%0.44752%0.521SS..EExtended strand (participates in β ladder)trans-117.8144.2173.268.6-89.3000110.8V98 I100 H117V98-Y124 WeakPolarHBondContact O-CA 3.44Å; V98-Y124 WeakPolarHBondContact O-CB 3.3Å; I100-Y124 HydrophobicContact CD1-CD2 3.98Å; I100-Y124 HydrophobicContact CD1-CG 4.48Å; H117-Y124 HydrophobicContact CB-CD1 4.4Å; H117-Y124 HydrophobicContact CB-CE1 4.44Å
125C57.9Low48.9Very low53 Ų53103.1 Ų103.136%0.35853%0.526SS..EExtended strand (participates in β ladder)trans-134.1150.7174.162.70000110.7V98 V99 I100V98-C125 PolarHBondContact O-N 3.38Å; V98-C125 VanDerWaalsContact O-N 3.14Å; V99-C125 WeakPolarHBondContact CA-O 3.34Å; V99-C125 WeakPolarHBondContact CG1-O 3.02Å; I100-C125 PolarHBondContact N-O 2.87Å; I100-C125 VanDerWaalsContact N-O 3.16Å
126T54.8Low48.4Very low35 Ų35101.8 Ų101.822%0.21552%0.523CS..EExtended strand (participates in β ladder)trans-99.6147.716958.80000108.9E102 S128 S129E102-T126 HydrophobicContact CG-CG2 4.33Å; T126-S128 WeakPolarHBondContact CB-OG 2.93Å; T126-S128 PolarHBondContact O-N 3.11Å; T126-S128 PolarHBondContact OG1-OG 3.21Å; T126-S128 VanDerWaalsContact OG1-OG 3.07Å; T126-S129 PolarHBondContact O-N 2.91Å; T126-S129 VanDerWaalsContact O-N 3.15Å; T126-S129 PolarHBondContact O-OG 2.88Å; T126-S129 PolarHBondContact OG1-OG 2.78Å
127C51.9Low47.9Very low47 Ų47107 Ų10732%0.31855%0.55SS..THydrogen-bonded Turntrans-66.8-16.4179.2-154.40000112.3
128S45.8Very low47.3Very low80 Ų80107.8 Ų107.856%0.55956%0.557SS**THydrogen-bonded Turntrans-76.6-27.6174.745.70000113.1E102 T126 S130E102-S128 PolarHBondContact OE2-OG 2.86Å; T126-S128 WeakPolarHBondContact CB-OG 2.93Å; T126-S128 PolarHBondContact O-N 3.11Å; T126-S128 PolarHBondContact OG1-OG 3.21Å; T126-S128 VanDerWaalsContact OG1-OG 3.07Å; S128-S130 PolarHBondContact O-N 2.66Å
129S39Very low46.8Very low65 Ų65102.3 Ų102.346%0.45554%0.539SS..SBendtrans-83.689.5167.456.20000109.1T126 L131T126-S129 PolarHBondContact O-N 2.91Å; T126-S129 VanDerWaalsContact O-N 3.15Å; T126-S129 PolarHBondContact O-OG 2.88Å; T126-S129 PolarHBondContact OG1-OG 2.78Å; S129-L131 PolarHBondContact O-N 3.04Å
130S34Very low46.4Very low86 Ų86100.9 Ų100.960%0.60154%0.537SS*.  trans-38.6133.2155.5-770000109.1S128 R132S128-S130 PolarHBondContact O-N 2.66Å; S130-R132 PolarHBondContact O-N 2.95Å
131L34.4Very low46Very low117 Ų117103.5 Ų103.561%0.61353%0.525SS*.SBendtrans-5272.3170-78.3147.8000111.3K28 S129K28-L131 HydrophobicContact CD-CB 4.41Å; K28-L131 HydrophobicContact CD-CD1 4.35Å; K28-L131 PolarHBondContact NZ-O 3.35Å; S129-L131 PolarHBondContact O-N 3.04Å
132R27.1Very low45.8Very low204 Ų204102 Ų10277%0.7752%0.521SS*.  trans-116113.1171.6-73.6-172.5-179.8-170.40.6105.7S130S130-R132 PolarHBondContact O-N 2.95Å
133H32Very low44.8Very low263 Ų263111 Ų111100%1.21857%0.567SS**  trans93.10175.1-52.2-67000115.2

Retrieved 133 of 133 residues in 185.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).