X5J5Q9_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5Q9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 115 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
1P70.7Confident91.9Very high148 Ų14884.7 Ų84.796%0.96147%0.47SS*.  01200-4.624000109.6S110P1-S110 CarbonylContact C-O 3.45Å; P1-S110 WeakPolarHBondContact CA-O 2.93Å
2E85.7Confident92.3Very high76 Ų7678.1 Ų78.136%0.35543%0.433SS..EExtended strand (participates in β ladder)trans-103.8116.5178.7-161.8-178.3165.200108.9V4 V10 S110 V111 T112E2-V4 HydrophobicContact CG-CG1 3.86Å; E2-V10 WeakPolarHBondContact OE1-CG1 3.4Å; E2-S110 PolarHBondContact N-O 3Å; E2-V111 WeakPolarHBondContact O-CA 3.47Å; E2-T112 PolarHBondContact O-N 3.13Å
3L92.3Very high92.6Very high126 Ų12677.6 Ų77.666%0.6644%0.438SS*.EExtended strand (participates in β ladder)trans-97120.7177-177.167.1000109.1T112 S114L3-T112 WeakPolarHBondContact CA-O 3.35Å; L3-T112 HydrophobicContact CD1-CG2 3.85Å; L3-S114 WeakPolarHBondContact CD1-OG 3.34Å
4V93.8Very high92.7Very high19 Ų1973 Ų7312%0.11541%0.413CS..EExtended strand (participates in β ladder)trans-134.9155.1-173-60.60000112.4E2 V8 V10 L78 V111 T112 V113 S114E2-V4 HydrophobicContact CG-CG1 3.86Å; V4-V8 HydrophobicContact CB-CG2 3.76Å; V4-V8 HydrophobicContact CG1-CG2 4.34Å; V4-V8 HydrophobicContact CG2-CG2 4.19Å; V4-V10 HydrophobicContact CB-CG1 4.42Å; V4-V10 HydrophobicContact CG1-CG1 3.73Å; V4-V10 HydrophobicContact CG2-CG1 4.24Å; V4-L78 HydrophobicContact CG2-CD1 3.62Å; V4-V111 HydrophobicContact CG2-CG1 4.22Å; V4-T112 PolarHBondContact N-O 3.06Å; V4-V113 HydrophobicContact CG2-CB 4.42Å; V4-V113 HydrophobicContact CG2-CG2 3.85Å; V4-V113 WeakPolarHBondContact O-CA 3.49Å; V4-S114 PolarHBondContact O-N 2.88Å
5R94.1Very high92.7Very high187 Ų18778.2 Ų78.271%0.70643%0.429SS*.  trans-81.5151.9175.4-65.4-177.3-178.3178.30.4110.7V8R5-V8 HydrophobicContact CB-CG1 4.49Å; R5-V8 VanDerWaalsContact O-CG2 3.32Å; R5-V8 WeakPolarHBondContact O-CG2 3.47Å
6P95.6Very high92.3Very high73 Ų7374.1 Ų74.147%0.47441%0.41SS..THydrogen-bonded Turntrans-55.5145.3172.3-24.133.2000112.5V8 L78 V113 S114P6-V8 VanDerWaalsContact C-N 3.33Å; P6-V8 PolarHBondContact O-N 3.46Å; P6-L78 WeakPolarHBondContact CA-O 3.32Å; P6-V113 HydrophobicContact CB-CG1 4.32Å; P6-V113 HydrophobicContact CG-CG1 4.08Å; P6-S114 WeakPolarHBondContact CD-O 3.17Å
7G94.2Very high91.8Very high51 Ų5175.6 Ų75.653%0.52643%0.428SS..THydrogen-bonded Turntrans87.4-12.8176.300000115.4L78G7-L78 PolarHBondContact N-O 2.81Å
8V95.5Very high90.9Very high62 Ų6276.6 Ų76.638%0.37646%0.457SS..  trans-78.9161.2175.4-47.90000111.6V4 R5 P6 R77 L78V4-V8 HydrophobicContact CB-CG2 3.76Å; V4-V8 HydrophobicContact CG1-CG2 4.34Å; V4-V8 HydrophobicContact CG2-CG2 4.19Å; R5-V8 HydrophobicContact CB-CG1 4.49Å; R5-V8 VanDerWaalsContact O-CG2 3.32Å; R5-V8 WeakPolarHBondContact O-CG2 3.47Å; P6-V8 VanDerWaalsContact C-N 3.33Å; P6-V8 PolarHBondContact O-N 3.46Å; V8-R77 PolarHBondContact O-N 2.84Å; V8-L78 WeakPolarHBondContact O-CB 3.47Å; V8-L78 WeakPolarHBondContact O-CG 3.47Å; V8-L78 PolarHBondContact O-N 2.94Å
9S96.5Very high89.8Confident61 Ų6176.4 Ų76.443%0.42745%0.448SS..  trans-100.2148.1168.6-56.40000110.2L75 A76S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.45Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; S9-A76 WeakPolarHBondContact OG-CA 3.36Å
10V96.3Very high89.2Confident5 Ų576.9 Ų76.93%0.0345%0.452CS..EExtended strand (participates in β ladder)trans-124.8149.7173.1-60.50000110.4E2 V4 I12 E74 L75 L78 V111E2-V10 WeakPolarHBondContact OE1-CG1 3.4Å; V4-V10 HydrophobicContact CB-CG1 4.42Å; V4-V10 HydrophobicContact CG1-CG1 3.73Å; V4-V10 HydrophobicContact CG2-CG1 4.24Å; V10-I12 HydrophobicContact CG2-CG1 4.5Å; V10-E74 CarbonylContact O-C 3.52Å; V10-E74 VanDerWaalsContact O-CA 3.29Å; V10-E74 WeakPolarHBondContact O-CA 3.36Å; V10-L75 HydrophobicContact CG2-CB 4.04Å; V10-L75 HydrophobicContact CG2-CD1 4.22Å; V10-L75 PolarHBondContact N-O 2.92Å; V10-L75 PolarHBondContact O-N 3.05Å; V10-L78 HydrophobicContact CB-CD1 4.19Å; V10-L78 HydrophobicContact CG1-CD1 3.52Å; V10-L78 HydrophobicContact CG2-CD1 3.71Å; V10-L78 HydrophobicContact CG2-CG 4.48Å; V10-V111 HydrophobicContact CG2-CG1 4.48Å
11K96.9Very high88.6Confident124 Ų12473.4 Ų73.454%0.53943%0.432SS..EExtended strand (participates in β ladder)trans-119.5114.2178.3-173.7176-179.9177.90109.9Y72K11-Y72 HydrophobicContact CD-CD1 4.3Å; K11-Y72 HydrophobicContact CG-CD1 4.23Å
12I96.8Very high88.8Confident5 Ų568.9 Ų68.93%0.02640%0.401CS..EExtended strand (participates in β ladder)trans-99134.5179.5-50.6-175.4000108.7V10 W28 Y72 M73 L75 Y86 T109 V111V10-I12 HydrophobicContact CG2-CG1 4.5Å; I12-W28 HydrophobicContact CB-CH2 4.4Å; I12-W28 HydrophobicContact CB-CZ3 4.15Å; I12-W28 HydrophobicContact CG2-CH2 4.19Å; I12-W28 HydrophobicContact CG2-CZ3 3.79Å; I12-Y72 CarbonylContact O-C 3.56Å; I12-Y72 WeakPolarHBondContact O-CA 3.31Å; I12-M73 HydrophobicContact CB-CE 4.47Å; I12-M73 HydrophobicContact CD1-CE 3.74Å; I12-M73 HydrophobicContact CG1-CE 4.38Å; I12-M73 PolarHBondContact N-O 3.38Å; I12-M73 PolarHBondContact O-N 2.94Å; I12-L75 HydrophobicContact CD1-CD1 4.2Å; I12-Y86 HydrophobicContact CD1-CD1 4.45Å; I12-Y86 HydrophobicContact CD1-CD2 3.86Å; I12-Y86 HydrophobicContact CD1-CG 3.7Å; I12-T109 HydrophobicContact CG2-CG2 4.36Å; I12-V111 HydrophobicContact CD1-CG2 3.95Å
13S95.9Very high88.3Confident72 Ų7270 Ų7050%0.50341%0.409SS..EExtended strand (participates in β ladder)trans-109.3142.6178.262.40000112.2A71S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å
14C94.2Very high87.8Confident13 Ų1365.8 Ų65.89%0.08839%0.385CS..EExtended strand (participates in β ladder)trans-127.4110.6170.4-177.90000109.2L26 W28 T70 A71 C88C14-L26 HydrophobicContact CB-CD2 4Å; C14-W28 HydrophobicContact CB-CH2 3.75Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-T70 WeakPolarHBondContact O-CA 3.26Å; C14-A71 PolarHBondContact N-O 2.94Å; C14-A71 PolarHBondContact O-N 3.3Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.47Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.26Å
15K92.3Very high87.6Confident151 Ų15168.6 Ų68.666%0.65740%0.396SS*.EExtended strand (participates in β ladder)trans-98.6129.5-178.6-175.1173.4-178179.30110.1T70K15-T70 HydrophobicContact CB-CG2 4.43Å
16G86.2Confident87.5Confident12 Ų1259.8 Ų59.812%0.12436%0.363CS..  trans-70.9140.8171.600000112Y19 F21 S69G16-Y19 WeakPolarHBondContact CA-OH 3.5Å; G16-F21 VanDerWaalsContact CA-CD2 3.45Å; G16-S69 PolarHBondContact N-O 2.86Å
17S83.6Confident87.4Confident101 Ų10157.5 Ų57.571%0.70635%0.346SS*.  trans-140.6131.1174.661.10000110.2Y19S17-Y19 VanDerWaalsContact O-CD1 3.28Å; S17-Y19 WeakPolarHBondContact O-CD1 3.37Å
18G76.3Confident87.5Confident93 Ų9355.1 Ų55.196%0.95932%0.321SS*.SBendtrans78.613.7173.900000115.7
19Y70.4Confident87.6Confident72 Ų7252.4 Ų52.428%0.28230%0.304SS..SBendtrans-149.9164.3175.165.4-86.2000111.8G16 S17 F21 Y24G16-Y19 WeakPolarHBondContact CA-OH 3.5Å; S17-Y19 VanDerWaalsContact O-CD1 3.28Å; S17-Y19 WeakPolarHBondContact O-CD1 3.37Å; Y19-F21 HydrophobicContact CE2-CB 4.36Å; Y19-F21 AromaticContact CE2-CD2 3.67Å; Y19-F21 HydrophobicContact CE2-CD2 3.67Å; Y19-F21 HydrophobicContact CE2-CE2 4.49Å; Y19-F21 HydrophobicContact CE2-CG 4.43Å; Y19-F21 AromaticContact CZ-CD2 3.66Å; Y19-F21 PolarHBondContact O-N 3.08Å; Y19-F21 VanDerWaalsContact O-N 3.1Å; Y19-F21 VanDerWaalsContact OH-CD2 3.26Å; Y19-F21 WeakPolarHBondContact OH-CD2 3.49Å; Y19-F21 WeakPolarHBondContact OH-CE2 3.02Å; Y19-Y24 AromaticContact CD2-CD2 3.82Å; Y19-Y24 HydrophobicContact CD2-CD2 3.82Å; Y19-Y24 AromaticContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CE2-CD2 4.05Å
20T76.1Confident87.6Confident86 Ų8650 Ų5053%0.52829%0.286SS..  trans-69.9101.6172.8-56.80000109.6T22 Y24T20-T22 VanDerWaalsContact CG2-OG1 3.28Å; T20-T22 WeakPolarHBondContact CG2-OG1 3.36Å; T20-T22 PolarHBondContact O-N 3.24Å; T20-Y24 VanDerWaalsContact O-CD2 3.24Å; T20-Y24 WeakPolarHBondContact O-CD2 3.28Å; T20-Y24 WeakPolarHBondContact O-CE2 3.38Å
21F77.4Confident87.6Confident5 Ų552.1 Ų52.12%0.02230%0.296CS..G310 helixtrans-64-14.2-174.4-164.2-108.2000113.7G16 Y19 I45 V64 S69 A71G16-F21 VanDerWaalsContact CA-CD2 3.45Å; Y19-F21 HydrophobicContact CE2-CB 4.36Å; Y19-F21 AromaticContact CE2-CD2 3.67Å; Y19-F21 HydrophobicContact CE2-CD2 3.67Å; Y19-F21 HydrophobicContact CE2-CE2 4.49Å; Y19-F21 HydrophobicContact CE2-CG 4.43Å; Y19-F21 AromaticContact CZ-CD2 3.66Å; Y19-F21 PolarHBondContact O-N 3.08Å; Y19-F21 VanDerWaalsContact O-N 3.1Å; Y19-F21 VanDerWaalsContact OH-CD2 3.26Å; Y19-F21 WeakPolarHBondContact OH-CD2 3.49Å; Y19-F21 WeakPolarHBondContact OH-CE2 3.02Å; F21-I45 HydrophobicContact CD1-CD1 4.1Å; F21-I45 HydrophobicContact CD1-CG2 3.67Å; F21-I45 HydrophobicContact CD2-CD1 4.11Å; F21-I45 HydrophobicContact CE1-CD1 3.95Å; F21-I45 HydrophobicContact CE1-CG1 4.33Å; F21-I45 HydrophobicContact CE1-CG2 3.87Å; F21-I45 HydrophobicContact CE2-CD1 3.98Å; F21-I45 HydrophobicContact CG-CD1 4.19Å; F21-I45 HydrophobicContact CG-CG2 4.48Å; F21-I45 HydrophobicContact CZ-CD1 3.9Å; F21-I45 VanDerWaalsContact O-CB 3.3Å; F21-I45 WeakPolarHBondContact O-CB 3.46Å; F21-I45 WeakPolarHBondContact O-CD1 3.47Å; F21-I45 WeakPolarHBondContact O-CG2 3.23Å; F21-V64 HydrophobicContact CE1-CG2 3.75Å; F21-S69 VanDerWaalsContact CD1-CA 3.41Å; F21-S69 WeakPolarHBondContact CE1-O 3.41Å; F21-S69 WeakPolarHBondContact CE2-O 3.17Å; F21-S69 WeakPolarHBondContact CZ-O 3.4Å; F21-A71 HydrophobicContact CZ-CB 4.04Å
22T75.8Confident87.2Confident52 Ų5247.4 Ų47.432%0.31928%0.278SS..G310 helixtrans-80-23.9-172.754.20000115.5T20 Y46T20-T22 VanDerWaalsContact CG2-OG1 3.28Å; T20-T22 WeakPolarHBondContact CG2-OG1 3.36Å; T20-T22 PolarHBondContact O-N 3.24Å; T22-Y46 WeakPolarHBondContact O-CA 3.37Å; T22-Y46 VanDerWaalsContact O-CB 3.26Å; T22-Y46 WeakPolarHBondContact O-CB 3.39Å; T22-Y46 PolarHBondContact O-N 3.12Å; T22-Y46 VanDerWaalsContact O-N 3.09Å
23D75.3Confident86.4Confident99 Ų9954.4 Ų54.453%0.52931%0.311SS..G310 helixtrans-10215.2-162.3-60.4-12.5000113.5
24Y81.2Confident85.5Confident38 Ų3855.2 Ų55.215%0.14932%0.321CS..  trans-122.2158.6-169.8-67.2-77000114.4Y19 T20 I45 R90 R91 D93Y19-Y24 AromaticContact CD2-CD2 3.82Å; Y19-Y24 HydrophobicContact CD2-CD2 3.82Å; Y19-Y24 AromaticContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CE2-CD2 4.05Å; T20-Y24 VanDerWaalsContact O-CD2 3.24Å; T20-Y24 WeakPolarHBondContact O-CD2 3.28Å; T20-Y24 WeakPolarHBondContact O-CE2 3.38Å; Y24-I45 WeakPolarHBondContact O-CB 3.45Å; Y24-I45 VanDerWaalsContact O-CG1 3.3Å; Y24-I45 WeakPolarHBondContact O-CG1 3.38Å; Y24-I45 PolarHBondContact O-N 2.93Å; Y24-R90 HydrophobicContact CD1-CG 3.94Å; Y24-R90 HydrophobicContact CG-CG 3.88Å; Y24-R90 PolarHBondContact OH-NH1 3.19Å; Y24-R91 WeakPolarHBondContact CD1-O 3.43Å; Y24-D93 VanDerWaalsContact CE1-CG 3.41Å; Y24-D93 WeakPolarHBondContact CE1-OD1 3.22Å; Y24-D93 WeakPolarHBondContact CE1-OD2 3.4Å; Y24-D93 PolarHBondContact OH-OD2 3.36Å
25F88.4Confident84.6Confident78 Ų7864.7 Ų64.734%0.34236%0.355SS..EExtended strand (participates in β ladder)trans-91.9131.3160.9-71.1-81.6000109.8V42 I43 R91F25-V42 HydrophobicContact CB-CG2 3.74Å; F25-V42 HydrophobicContact CD1-CG2 3.92Å; F25-V42 HydrophobicContact CG-CG2 4.26Å; F25-I43 WeakPolarHBondContact CA-O 3.43Å; F25-R91 HydrophobicContact CB-CB 4.46Å; F25-R91 PolarHBondContact O-N 3.12Å
26L92.4Very high84.4Confident2 Ų260 Ų601%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-111118.2174.7-163.578.3000110C14 W28 V42 I43 I45 A71 C88 R90C14-L26 HydrophobicContact CB-CD2 4Å; L26-W28 HydrophobicContact CD2-CZ2 4.46Å; L26-V42 CarbonylContact O-C 3.59Å; L26-V42 VanDerWaalsContact O-CA 3.29Å; L26-V42 WeakPolarHBondContact O-CA 3.29Å; L26-V42 WeakPolarHBondContact O-CG2 3.47Å; L26-I43 HydrophobicContact CB-CG2 4.03Å; L26-I43 PolarHBondContact N-O 3.06Å; L26-I43 PolarHBondContact O-N 3.12Å; L26-I45 HydrophobicContact CB-CD1 4.17Å; L26-I45 HydrophobicContact CB-CG1 4.3Å; L26-A71 HydrophobicContact CD2-CB 3.25Å; L26-C88 HydrophobicContact CD1-CB 4.31Å; L26-C88 HydrophobicContact CD2-CB 4.15Å; L26-C88 HydrophobicContact CG-CB 4.26Å; L26-R90 HydrophobicContact CD1-CB 4.14Å
27H94.5Very high84.8Confident25 Ų2564.1 Ų64.112%0.11636%0.361CS..EExtended strand (participates in β ladder)trans-92.5147.1178.6-61-99.7000110.2W39 G41 V42 C88 A89 M102H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 3.02Å; H27-G41 CarbonylContact C-O 3.44Å; H27-G41 WeakPolarHBondContact CA-O 3.43Å; H27-V42 VanDerWaalsContact CE1-CG2 3.5Å; H27-V42 WeakPolarHBondContact CE1-CG2 3.48Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 VanDerWaalsContact O-CA 3.24Å; H27-C88 WeakPolarHBondContact O-CA 2.93Å; H27-A89 WeakPolarHBondContact CB-O 3.32Å; H27-A89 PolarHBondContact N-O 3.38Å; H27-A89 PolarHBondContact O-N 3.38Å; H27-M102 HydrophobicContact CB-CE 3.84Å; H27-M102 HydrophobicContact CB-SD 3.79Å; H27-M102 WeakPolarHBondContact ND1-CE 3.15Å
28W96.6Very high85.3Confident2 Ų261.3 Ų61.31%0.00834%0.336CS..EExtended strand (participates in β ladder)trans-115134.3171.4-69.491.5000109.4I12 C14 L26 I40 G41 V62 A71 M73 Y87 C88I12-W28 HydrophobicContact CB-CH2 4.4Å; I12-W28 HydrophobicContact CB-CZ3 4.15Å; I12-W28 HydrophobicContact CG2-CH2 4.19Å; I12-W28 HydrophobicContact CG2-CZ3 3.79Å; C14-W28 HydrophobicContact CB-CH2 3.75Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; L26-W28 HydrophobicContact CD2-CZ2 4.46Å; W28-I40 HydrophobicContact CB-CB 4.09Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 HydrophobicContact CB-CG2 4.46Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 2.89Å; W28-G41 PolarHBondContact N-O 3.38Å; W28-V62 VanDerWaalsContact CD1-CG1 3.5Å; W28-V62 HydrophobicContact CG-CG1 4.15Å; W28-A71 HydrophobicContact CZ2-CB 4.31Å; W28-M73 HydrophobicContact CB-SD 3.91Å; W28-M73 HydrophobicContact CD2-CB 3.66Å; W28-M73 HydrophobicContact CD2-CE 4.44Å; W28-M73 HydrophobicContact CD2-CG 4.36Å; W28-M73 HydrophobicContact CD2-SD 4.01Å; W28-M73 HydrophobicContact CE3-CB 3.8Å; W28-M73 HydrophobicContact CE3-CE 3.8Å; W28-M73 HydrophobicContact CE3-SD 3.97Å; W28-M73 HydrophobicContact CG-CB 4.26Å; W28-M73 HydrophobicContact CG-SD 4.01Å; W28-M73 HydrophobicContact CH2-CB 3.93Å; W28-M73 HydrophobicContact CZ2-CB 3.82Å; W28-M73 HydrophobicContact CZ3-CB 3.93Å; W28-M73 HydrophobicContact CZ3-CE 4.23Å; W28-Y87 WeakPolarHBondContact CA-O 3.2Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.23Å; W28-C88 HydrophobicContact CH2-CB 4.35Å; W28-C88 HydrophobicContact CZ3-CB 4.17Å
29V96.7Very high86.2Confident5 Ų561 Ų613%0.0331%0.306CS..EExtended strand (participates in β ladder)trans-135.7133.5-174.1-176.10000109.6L37 E38 Y86 Y87 M102 W105V29-L37 HydrophobicContact CG1-CB 3.97Å; V29-L37 HydrophobicContact CG1-CD2 3.99Å; V29-L37 HydrophobicContact CG1-CG 4.49Å; V29-E38 CarbonylContact C-O 3.51Å; V29-E38 WeakPolarHBondContact CA-O 3.02Å; V29-Y86 WeakPolarHBondContact O-CA 3.02Å; V29-Y87 PolarHBondContact N-O 3.24Å; V29-Y87 PolarHBondContact O-N 3.11Å; V29-M102 HydrophobicContact CG2-SD 4.28Å; V29-W105 HydrophobicContact CB-CH2 4.04Å; V29-W105 HydrophobicContact CB-CZ3 3.87Å; V29-W105 HydrophobicContact CG1-CH2 4.01Å; V29-W105 HydrophobicContact CG1-CZ3 4.05Å; V29-W105 HydrophobicContact CG2-CH2 3.75Å; V29-W105 HydrophobicContact CG2-CZ3 3.98Å
30K96.2Very high87.5Confident11 Ų1157.5 Ų57.55%0.04829%0.292CS..EExtended strand (participates in β ladder)trans-96.8129.6171.5-177.5-178.7-179.4-177.60108.9L37 E38 I40 F56 E81 D82 A84 Y86K30-L37 CarbonylContact O-C 3.55Å; K30-L37 WeakPolarHBondContact O-CA 3.14Å; K30-E38 HydrophobicContact CB-CB 4.34Å; K30-E38 PolarHBondContact N-O 2.81Å; K30-E38 PolarHBondContact O-N 2.81Å; K30-I40 HydrophobicContact CB-CD1 3.97Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; K30-F56 HydrophobicContact CB-CZ 4.39Å; K30-F56 HydrophobicContact CD-CE1 4.09Å; K30-F56 HydrophobicContact CD-CZ 4.04Å; K30-E81 PolarHBondContact NZ-O 2.99Å; K30-D82 IonicContact NZ-OD1 2.66Å; K30-A84 HydrophobicContact CD-CB 4.13Å; K30-A84 HydrophobicContact CG-CB 3.52Å; K30-Y86 HydrophobicContact CB-CD1 4.19Å; K30-Y86 HydrophobicContact CB-CE1 3.97Å; K30-Y86 HydrophobicContact CD-CE1 4.13Å; K30-Y86 HydrophobicContact CG-CD1 4.34Å; K30-Y86 HydrophobicContact CG-CE1 3.82Å
31Q96.1Very high88.4Confident49 Ų4953.4 Ų53.423%0.22927%0.267CS..EExtended strand (participates in β ladder)trans-103.8108.8165.9-170.617940.400109.3S36 L37 A84 I85 Y87Q31-S36 WeakPolarHBondContact CA-O 3.42Å; Q31-L37 HydrophobicContact CB-CD2 3.71Å; Q31-L37 HydrophobicContact CG-CD2 3.81Å; Q31-A84 WeakPolarHBondContact O-CA 3.37Å; Q31-A84 VanDerWaalsContact O-CB 3.23Å; Q31-A84 WeakPolarHBondContact O-CB 3.08Å; Q31-I85 HydrophobicContact CB-CB 4.44Å; Q31-I85 PolarHBondContact N-O 2.85Å; Q31-I85 PolarHBondContact O-N 2.92Å; Q31-I85 VanDerWaalsContact O-N 3.13Å; Q31-Y87 HydrophobicContact CB-CD2 4.26Å; Q31-Y87 HydrophobicContact CB-CE2 3.68Å; Q31-Y87 PolarHBondContact OE1-OH 2.9Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.12Å
32S88.7Confident89.2Confident24 Ų2453.8 Ų53.817%0.16827%0.27CS..  trans-71164.517778.90000111.3A34 R35 S36S32-A34 PolarHBondContact O-N 3.36Å; S32-A34 VanDerWaalsContact O-N 3.12Å; S32-A34 PolarHBondContact OG-N 2.72Å; S32-R35 WeakPolarHBondContact O-CA 3.48Å; S32-R35 PolarHBondContact O-N 3.1Å; S32-S36 PolarHBondContact N-O 2.84Å; S32-S36 PolarHBondContact OG-OG 2.66Å
33H79.4Confident90Very high153 Ų15351.4 Ų51.471%0.70826%0.255SS*.THydrogen-bonded Turntrans-58.1-23.9174.9-71.689.4000113.5R35 S83H33-R35 PolarHBondContact O-N 3.4Å; H33-S83 PolarHBondContact CE1-O 3.26Å; H33-S83 PolarHBondContact ND1-O 3.28Å
34A77.6Confident90.8Very high88 Ų8846.9 Ų46.973%0.72723%0.232SC*.THydrogen-bonded Turntrans-77.38.2172.200000113.3S32 S36S32-A34 PolarHBondContact O-N 3.36Å; S32-A34 VanDerWaalsContact O-N 3.12Å; S32-A34 PolarHBondContact OG-N 2.72Å; A34-S36 PolarHBondContact O-N 2.85Å; A34-S36 VanDerWaalsContact O-N 3.14Å
35R76.1Confident91.1Very high212 Ų21245.1 Ų45.180%0.822%0.224SC*.  trans61.111.7-177.1-56.7-178-179.9172.7-0.1115.1S32 H33S32-R35 WeakPolarHBondContact O-CA 3.48Å; S32-R35 PolarHBondContact O-N 3.1Å; H33-R35 PolarHBondContact O-N 3.4Å
36S88.1Confident91.1Very high54 Ų5447.8 Ų47.838%0.37823%0.233SC..  trans-72.8133.8170.660.40000110.4Q31 S32 A34Q31-S36 WeakPolarHBondContact CA-O 3.42Å; S32-S36 PolarHBondContact N-O 2.84Å; S32-S36 PolarHBondContact OG-OG 2.66Å; A34-S36 PolarHBondContact O-N 2.85Å; A34-S36 VanDerWaalsContact O-N 3.14Å
37L93.2Very high91Very high98 Ų9854.9 Ų54.951%0.51326%0.264SS..EExtended strand (participates in β ladder)trans-90122.5171-65.1176.3000109.1V29 K30 Q31 W105V29-L37 HydrophobicContact CG1-CB 3.97Å; V29-L37 HydrophobicContact CG1-CD2 3.99Å; V29-L37 HydrophobicContact CG1-CG 4.49Å; K30-L37 CarbonylContact O-C 3.55Å; K30-L37 WeakPolarHBondContact O-CA 3.14Å; Q31-L37 HydrophobicContact CB-CD2 3.71Å; Q31-L37 HydrophobicContact CG-CD2 3.81Å; L37-W105 HydrophobicContact CD1-CH2 4.3Å
38E94.9Very high90.7Very high41 Ų4155.5 Ų55.519%0.19228%0.278CS..EExtended strand (participates in β ladder)trans-114.2118.3177.1-61.2-174-111.900109.3V29 K30 I40 K55 F56V29-E38 CarbonylContact C-O 3.51Å; V29-E38 WeakPolarHBondContact CA-O 3.02Å; K30-E38 HydrophobicContact CB-CB 4.34Å; K30-E38 PolarHBondContact N-O 2.81Å; K30-E38 PolarHBondContact O-N 2.81Å; E38-I40 PolarHBondContact O-N 3.09Å; E38-K55 IonicContact OE1-NZ 3.46Å; E38-K55 PolarHBondContact OE1-NZ 2.78Å; E38-K55 WeakPolarHBondContact OE2-CD 3.21Å; E38-K55 IonicContact OE2-NZ 2.66Å; E38-K55 PolarHBondContact OE2-NZ 3.13Å; E38-F56 HydrophobicContact CB-CE2 4.28Å; E38-F56 HydrophobicContact CB-CZ 4.29Å
39W95Very high90.5Very high86 Ų8659.4 Ų59.433%0.32630%0.299SS..EExtended strand (participates in β ladder)trans-70.7123.9174.4-179.370.6000110.3H27 G41 V42 N53H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 3.02Å; W39-G41 VanDerWaalsContact CE2-C 3.47Å; W39-G41 PolarHBondContact NE1-O 2.81Å; W39-V42 HydrophobicContact CH2-CG1 4.47Å; W39-V42 HydrophobicContact CZ2-CB 3.86Å; W39-V42 HydrophobicContact CZ2-CG1 3.78Å; W39-N53 HydrophobicContact CE3-CB 3.78Å; W39-N53 HydrophobicContact CZ3-CB 3.96Å; W39-N53 WeakPolarHBondContact O-CB 3.41Å; W39-N53 PolarHBondContact O-ND2 2.85Å
40I96.9Very high90.4Very high0 Ų060.6 Ų60.60%031%0.309CS..EExtended strand (participates in β ladder)trans-88.5-49-179.1-65.4163.8000110.3W28 K30 E38 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.09Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 HydrophobicContact CB-CG2 4.46Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 2.89Å; K30-I40 HydrophobicContact CB-CD1 3.97Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; E38-I40 PolarHBondContact O-N 3.09Å; I40-N53 PolarHBondContact O-N 2.86Å; I40-F56 HydrophobicContact CB-CD2 4.24Å; I40-F56 HydrophobicContact CB-CG 4.23Å; I40-F56 HydrophobicContact CG1-CD1 4.03Å; I40-F56 HydrophobicContact CG1-CD2 4.1Å; I40-F56 HydrophobicContact CG1-CE1 3.93Å; I40-F56 HydrophobicContact CG1-CE2 3.98Å; I40-F56 HydrophobicContact CG1-CG 4.11Å; I40-F56 HydrophobicContact CG1-CZ 3.89Å; I40-F56 HydrophobicContact CG2-CB 3.87Å; I40-F56 HydrophobicContact CG2-CD1 4.21Å; I40-F56 HydrophobicContact CG2-CD2 4.38Å; I40-F56 HydrophobicContact CG2-CG 3.9Å; I40-A60 HydrophobicContact CG2-CB 3.65Å; I40-M73 HydrophobicContact CD1-CE 4.15Å; I40-M73 HydrophobicContact CD1-SD 3.68Å; I40-M73 HydrophobicContact CG2-SD 4.01Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.92Å
41G95.3Very high90.3Very high0 Ų064.8 Ų64.80%033%0.332CS..EExtended strand (participates in β ladder)trans175.2178.1-171.600000112.7H27 W28 W39 N51H27-G41 CarbonylContact C-O 3.44Å; H27-G41 WeakPolarHBondContact CA-O 3.43Å; W28-G41 PolarHBondContact N-O 3.38Å; W39-G41 VanDerWaalsContact CE2-C 3.47Å; W39-G41 PolarHBondContact NE1-O 2.81Å; G41-N51 CarbonylContact C-O 3.6Å; G41-N51 WeakPolarHBondContact CA-O 3.28Å
42V94.2Very high90.3Very high13 Ų1365.9 Ų65.98%0.07933%0.334CS..EExtended strand (participates in β ladder)trans-140.4145.4177.565.90000109.3F25 L26 H27 W39 A50 N51F25-V42 HydrophobicContact CB-CG2 3.74Å; F25-V42 HydrophobicContact CD1-CG2 3.92Å; F25-V42 HydrophobicContact CG-CG2 4.26Å; L26-V42 CarbonylContact O-C 3.59Å; L26-V42 VanDerWaalsContact O-CA 3.29Å; L26-V42 WeakPolarHBondContact O-CA 3.29Å; L26-V42 WeakPolarHBondContact O-CG2 3.47Å; H27-V42 VanDerWaalsContact CE1-CG2 3.5Å; H27-V42 WeakPolarHBondContact CE1-CG2 3.48Å; W39-V42 HydrophobicContact CH2-CG1 4.47Å; W39-V42 HydrophobicContact CZ2-CB 3.86Å; W39-V42 HydrophobicContact CZ2-CG1 3.78Å; V42-A50 CarbonylContact O-C 3.56Å; V42-A50 VanDerWaalsContact O-CA 3.25Å; V42-A50 WeakPolarHBondContact O-CA 3.42Å; V42-N51 HydrophobicContact CG1-CB 3.98Å; V42-N51 PolarHBondContact N-O 2.81Å; V42-N51 PolarHBondContact O-N 2.85Å
43I93.8Very high90.6Very high1 Ų167.4 Ų67.41%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-119132.6169.1-172.5159.9000109.6F25 L26 I45 N49 V62 T63 V64F25-I43 WeakPolarHBondContact CA-O 3.43Å; L26-I43 HydrophobicContact CB-CG2 4.03Å; L26-I43 PolarHBondContact N-O 3.06Å; L26-I43 PolarHBondContact O-N 3.12Å; I43-I45 PolarHBondContact O-N 3.15Å; I43-N49 WeakPolarHBondContact CA-O 3.46Å; I43-V62 HydrophobicContact CB-CG2 3.97Å; I43-V62 HydrophobicContact CD1-CG2 4.35Å; I43-T63 VanDerWaalsContact CD1-C 3.49Å; I43-V64 HydrophobicContact CD1-CB 3.89Å; I43-V64 HydrophobicContact CD1-CG1 3.93Å; I43-V64 HydrophobicContact CG1-CG1 4.49Å
44S91.1Very high91.4Very high5 Ų567 Ų674%0.03534%0.339CS..EExtended strand (participates in β ladder)trans-72.1118.4162.9178.80000107.7Y46 F47 G48 N49S44-Y46 VanDerWaalsContact C-N 3.27Å; S44-Y46 PolarHBondContact O-N 3.05Å; S44-F47 WeakPolarHBondContact OG-CD2 3.44Å; S44-F47 PolarHBondContact OG-N 3.14Å; S44-F47 VanDerWaalsContact OG-N 3.13Å; S44-G48 WeakPolarHBondContact O-CA 3.38Å; S44-G48 PolarHBondContact O-N 2.77Å; S44-N49 WeakPolarHBondContact CB-OD1 3.34Å; S44-N49 PolarHBondContact N-O 2.74Å
45I88.9Confident92.2Very high0 Ų069 Ų690%033%0.331CS..THydrogen-bonded Turntrans-68.8-35.1178.5-56.5168.1000110.2F21 Y24 L26 I43 V64 K66F21-I45 HydrophobicContact CD1-CD1 4.1Å; F21-I45 HydrophobicContact CD1-CG2 3.67Å; F21-I45 HydrophobicContact CD2-CD1 4.11Å; F21-I45 HydrophobicContact CE1-CD1 3.95Å; F21-I45 HydrophobicContact CE1-CG1 4.33Å; F21-I45 HydrophobicContact CE1-CG2 3.87Å; F21-I45 HydrophobicContact CE2-CD1 3.98Å; F21-I45 HydrophobicContact CG-CD1 4.19Å; F21-I45 HydrophobicContact CG-CG2 4.48Å; F21-I45 HydrophobicContact CZ-CD1 3.9Å; F21-I45 VanDerWaalsContact O-CB 3.3Å; F21-I45 WeakPolarHBondContact O-CB 3.46Å; F21-I45 WeakPolarHBondContact O-CD1 3.47Å; F21-I45 WeakPolarHBondContact O-CG2 3.23Å; Y24-I45 WeakPolarHBondContact O-CB 3.45Å; Y24-I45 VanDerWaalsContact O-CG1 3.3Å; Y24-I45 WeakPolarHBondContact O-CG1 3.38Å; Y24-I45 PolarHBondContact O-N 2.93Å; L26-I45 HydrophobicContact CB-CD1 4.17Å; L26-I45 HydrophobicContact CB-CG1 4.3Å; I43-I45 PolarHBondContact O-N 3.15Å; I45-V64 HydrophobicContact CB-CG2 4.45Å; I45-V64 HydrophobicContact CG1-CG2 4.46Å; I45-V64 HydrophobicContact CG2-CG2 3.67Å; I45-K66 WeakPolarHBondContact O-CE 3.41Å
46Y87.6Confident93.1Very high134 Ų13459.1 Ų59.153%0.52529%0.294SS..THydrogen-bonded Turntrans-66.6-53177.4-169.5-98.2000112.5T22 S44 K66T22-Y46 WeakPolarHBondContact O-CA 3.37Å; T22-Y46 VanDerWaalsContact O-CB 3.26Å; T22-Y46 WeakPolarHBondContact O-CB 3.39Å; T22-Y46 PolarHBondContact O-N 3.12Å; T22-Y46 VanDerWaalsContact O-N 3.09Å; S44-Y46 VanDerWaalsContact C-N 3.27Å; S44-Y46 PolarHBondContact O-N 3.05Å; Y46-K66 WeakPolarHBondContact O-CE 3.48Å; Y46-K66 PolarHBondContact O-NZ 2.83Å
47F89.8Confident93.3Very high152 Ų15263.4 Ų63.467%0.66731%0.306SS*.THydrogen-bonded Turntrans-88.9-18.4-174.1-63.9-68.4000113.5S44 N49S44-F47 WeakPolarHBondContact OG-CD2 3.44Å; S44-F47 PolarHBondContact OG-N 3.14Å; S44-F47 VanDerWaalsContact OG-N 3.13Å; F47-N49 VanDerWaalsContact CB-OD1 3.26Å; F47-N49 WeakPolarHBondContact CB-OD1 3.25Å; F47-N49 PolarHBondContact O-N 2.82Å
48G89.6Confident93.3Very high38 Ų3862.3 Ų62.339%0.39232%0.319SS..  trans724.3-177.300000114.5S44S44-G48 WeakPolarHBondContact O-CA 3.38Å; S44-G48 PolarHBondContact O-N 2.77Å
49N91.6Very high93.4Very high84 Ų8462.4 Ų62.445%0.44932%0.318SS..  trans-84.3145.3177.268.4-42.5000111.3I43 S44 F47I43-N49 WeakPolarHBondContact CA-O 3.46Å; S44-N49 WeakPolarHBondContact CB-OD1 3.34Å; S44-N49 PolarHBondContact N-O 2.74Å; F47-N49 VanDerWaalsContact CB-OD1 3.26Å; F47-N49 WeakPolarHBondContact CB-OD1 3.25Å; F47-N49 PolarHBondContact O-N 2.82Å
50A94.4Very high93.5Very high30 Ų3058.4 Ų58.425%0.24830%0.304CS..EExtended strand (participates in β ladder)trans-121.4141.9-174.500000112.1V42 Y52 V62V42-A50 CarbonylContact O-C 3.56Å; V42-A50 VanDerWaalsContact O-CA 3.25Å; V42-A50 WeakPolarHBondContact O-CA 3.42Å; A50-Y52 HydrophobicContact CB-CE2 3.72Å; A50-V62 HydrophobicContact CB-CG2 3.34Å
51N94.6Very high93.5Very high98 Ų9861.9 Ų61.952%0.52433%0.325SS..EExtended strand (participates in β ladder)trans-119.5147.1169.2-70-49000109.5G41 V42G41-N51 CarbonylContact C-O 3.6Å; G41-N51 WeakPolarHBondContact CA-O 3.28Å; V42-N51 HydrophobicContact CG1-CB 3.98Å; V42-N51 PolarHBondContact N-O 2.81Å; V42-N51 PolarHBondContact O-N 2.85Å
52Y95.8Very high93.6Very high73 Ų7362.3 Ų62.329%0.28633%0.328SS..EExtended strand (participates in β ladder)trans-130.2149.2-173.5-59-89.9000110.9A50 A60 V62A50-Y52 HydrophobicContact CB-CE2 3.72Å; Y52-A60 HydrophobicContact CE1-CB 4.42Å; Y52-A60 WeakPolarHBondContact CE1-O 2.97Å; Y52-V62 HydrophobicContact CE1-CG1 4.21Å; Y52-V62 HydrophobicContact CE1-CG2 3.93Å; Y52-V62 WeakPolarHBondContact OH-CG2 3.31Å; Y52-V62 PolarHBondContact OH-N 2.63Å
53N95.6Very high93.6Very high55 Ų5564.8 Ų64.829%0.29434%0.343SS..  trans-67.3139.4159.3-179.1-27.9000109.1W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.78Å; W39-N53 HydrophobicContact CZ3-CB 3.96Å; W39-N53 WeakPolarHBondContact O-CB 3.41Å; W39-N53 PolarHBondContact O-ND2 2.85Å; I40-N53 PolarHBondContact O-N 2.86Å; N53-K55 PolarHBondContact O-N 2.85Å; N53-K55 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-F56 HydrophobicContact CB-CD2 4.1Å; N53-F56 PolarHBondContact O-N 2.82Å; N53-K57 PolarHBondContact O-N 3.1Å
54Q95.6Very high93.7Very high144 Ų14466.3 Ų66.367%0.67335%0.352SS*.G310 helixtrans-53.5-34.4-178.7-169.862.817.700112.9F56 K57Q54-F56 PolarHBondContact O-N 2.78Å; Q54-K57 PolarHBondContact O-N 2.84Å
55K93.2Very high93.7Very high131 Ų13168.7 Ų68.757%0.5737%0.365SS*.G310 helixtrans-61.2-31177.3-175.7177.4178.2-178.60113.4E38 N53E38-K55 IonicContact OE1-NZ 3.46Å; E38-K55 PolarHBondContact OE1-NZ 2.78Å; E38-K55 WeakPolarHBondContact OE2-CD 3.21Å; E38-K55 IonicContact OE2-NZ 2.66Å; E38-K55 PolarHBondContact OE2-NZ 3.13Å; N53-K55 PolarHBondContact O-N 2.85Å; N53-K55 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact OD1-N 2.89Å
56F95.3Very high93.7Very high4 Ų473.6 Ų73.62%0.01839%0.386CS..G310 helixtrans-104.6-0.9-175.1-63.4-83.5000113.2K30 E38 I40 N53 Q54 G58 K59 A60K30-F56 HydrophobicContact CB-CZ 4.39Å; K30-F56 HydrophobicContact CD-CE1 4.09Å; K30-F56 HydrophobicContact CD-CZ 4.04Å; E38-F56 HydrophobicContact CB-CE2 4.28Å; E38-F56 HydrophobicContact CB-CZ 4.29Å; I40-F56 HydrophobicContact CB-CD2 4.24Å; I40-F56 HydrophobicContact CB-CG 4.23Å; I40-F56 HydrophobicContact CG1-CD1 4.03Å; I40-F56 HydrophobicContact CG1-CD2 4.1Å; I40-F56 HydrophobicContact CG1-CE1 3.93Å; I40-F56 HydrophobicContact CG1-CE2 3.98Å; I40-F56 HydrophobicContact CG1-CG 4.11Å; I40-F56 HydrophobicContact CG1-CZ 3.89Å; I40-F56 HydrophobicContact CG2-CB 3.87Å; I40-F56 HydrophobicContact CG2-CD1 4.21Å; I40-F56 HydrophobicContact CG2-CD2 4.38Å; I40-F56 HydrophobicContact CG2-CG 3.9Å; N53-F56 HydrophobicContact CB-CD2 4.1Å; N53-F56 PolarHBondContact O-N 2.82Å; Q54-F56 PolarHBondContact O-N 2.78Å; F56-G58 PolarHBondContact O-N 2.66Å; F56-K59 WeakPolarHBondContact O-CB 3.42Å; F56-K59 PolarHBondContact O-N 3.46Å; F56-A60 HydrophobicContact CB-CB 4.23Å; F56-A60 PolarHBondContact O-N 3.26Å
57K94.1Very high93.8Very high144 Ų14472.5 Ų72.563%0.62640%0.398SS*.BIsolated β-bridgetrans-63.4124177.2-162.3174.3-173.8175.80109.7N53 Q54 K59N53-K57 PolarHBondContact O-N 3.1Å; Q54-K57 PolarHBondContact O-N 2.84Å; K57-K59 PolarHBondContact O-N 2.95Å
58G93.1Very high93.8Very high76 Ų7667.2 Ų67.278%0.78438%0.38SS*.THydrogen-bonded Turntrans79.7-8.7-174.600000114.9F56F56-G58 PolarHBondContact O-N 2.66Å
59K95.9Very high93.9Very high42 Ų4267.5 Ų67.518%0.18338%0.376CS..THydrogen-bonded Turntrans-96.1-45.7171.8-17474.1178.7-165.70111.5F56 K57 L75 A76 R77 D82F56-K59 WeakPolarHBondContact O-CB 3.42Å; F56-K59 PolarHBondContact O-N 3.46Å; K57-K59 PolarHBondContact O-N 2.95Å; K59-L75 WeakPolarHBondContact O-CA 3.5Å; K59-A76 WeakPolarHBondContact CD-O 3.5Å; K59-A76 WeakPolarHBondContact CE-O 3.39Å; K59-A76 PolarHBondContact NZ-O 3.49Å; K59-A76 VanDerWaalsContact NZ-O 3.1Å; K59-A76 PolarHBondContact O-N 3.45Å; K59-R77 PolarHBondContact NZ-O 3.27Å; K59-D82 WeakPolarHBondContact CE-OD2 3.04Å; K59-D82 IonicContact NZ-OD1 3.87Å; K59-D82 IonicContact NZ-OD2 3.93Å; K59-D82 PolarHBondContact NZ-OD2 2.8Å
60A97.3Very high94Very high3 Ų363.9 Ų63.93%0.02536%0.357CS..EExtended strand (participates in β ladder)trans-104.2142.3179.300000110.8I40 Y52 F56 M73 E74 L75I40-A60 HydrophobicContact CG2-CB 3.65Å; Y52-A60 HydrophobicContact CE1-CB 4.42Å; Y52-A60 WeakPolarHBondContact CE1-O 2.97Å; F56-A60 HydrophobicContact CB-CB 4.23Å; F56-A60 PolarHBondContact O-N 3.26Å; A60-M73 HydrophobicContact CB-CG 4.44Å; A60-E74 CarbonylContact C-O 3.54Å; A60-E74 VanDerWaalsContact CA-O 3.31Å; A60-E74 WeakPolarHBondContact CA-O 3.3Å; A60-L75 HydrophobicContact CB-CD2 3.99Å
61T97.4Very high94Very high73 Ų7362.4 Ų62.445%0.44835%0.345SS..EExtended strand (participates in β ladder)trans-129.1117.8168.2-64.90000108.3T63 M73 E74T61-T63 HydrophobicContact CG2-CG2 4.33Å; T61-M73 CarbonylContact O-C 3.5Å; T61-M73 WeakPolarHBondContact O-CA 2.99Å; T61-E74 PolarHBondContact N-O 3.06Å; T61-E74 PolarHBondContact O-N 3.04Å
62V96.2Very high94.1Very high8 Ų860.4 Ų60.45%0.04833%0.33CS..EExtended strand (participates in β ladder)trans-103.5137.5178.5-57.90000110.6W28 I43 A50 Y52 Y72 M73W28-V62 VanDerWaalsContact CD1-CG1 3.5Å; W28-V62 HydrophobicContact CG-CG1 4.15Å; I43-V62 HydrophobicContact CB-CG2 3.97Å; I43-V62 HydrophobicContact CD1-CG2 4.35Å; A50-V62 HydrophobicContact CB-CG2 3.34Å; Y52-V62 HydrophobicContact CE1-CG1 4.21Å; Y52-V62 HydrophobicContact CE1-CG2 3.93Å; Y52-V62 WeakPolarHBondContact OH-CG2 3.31Å; Y52-V62 PolarHBondContact OH-N 2.63Å; V62-Y72 CarbonylContact C-O 3.52Å; V62-Y72 VanDerWaalsContact CA-O 3.25Å; V62-Y72 WeakPolarHBondContact CA-O 3.04Å; V62-M73 HydrophobicContact CG1-CB 4.07Å; V62-M73 HydrophobicContact CG1-CG 3.95Å
63T95.6Very high94.2Very high65 Ų6556.9 Ų56.940%0.39932%0.316SS..EExtended strand (participates in β ladder)trans-139.6164.7-178.556.90000110.1I43 T61 A71 Y72I43-T63 VanDerWaalsContact CD1-C 3.49Å; T61-T63 HydrophobicContact CG2-CG2 4.33Å; T63-A71 CarbonylContact O-C 3.46Å; T63-A71 WeakPolarHBondContact O-CA 3.33Å; T63-Y72 PolarHBondContact N-O 2.72Å; T63-Y72 PolarHBondContact O-N 3.38Å
64V94.2Very high94.3Very high34 Ų3458.6 Ų58.621%0.20632%0.322CS..EExtended strand (participates in β ladder)trans-137133.7177.268.30000111.5F21 I43 I45 A71F21-V64 HydrophobicContact CE1-CG2 3.75Å; I43-V64 HydrophobicContact CD1-CB 3.89Å; I43-V64 HydrophobicContact CD1-CG1 3.93Å; I43-V64 HydrophobicContact CG1-CG1 4.49Å; I45-V64 HydrophobicContact CB-CG2 4.45Å; I45-V64 HydrophobicContact CG1-CG2 4.46Å; I45-V64 HydrophobicContact CG2-CG2 3.67Å; V64-A71 HydrophobicContact CG2-CB 4.38Å
65D92.6Very high94.4Very high55 Ų5551.7 Ų51.729%0.29429%0.29SS..EExtended strand (participates in β ladder)trans-107.6104.9168.4176.38.2000108.4S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.78Å; D65-S67 WeakPolarHBondContact OD1-CB 3.22Å; D65-S67 PolarHBondContact OD1-N 2.81Å; D65-S67 PolarHBondContact OD1-OG 2.86Å; D65-S67 PolarHBondContact OD2-OG 2.03Å; D65-S68 PolarHBondContact OD1-N 2.85Å; D65-S68 WeakPolarHBondContact OD2-CB 3.24Å; D65-S68 PolarHBondContact OD2-OG 2.79Å; D65-S69 PolarHBondContact O-N 3.37Å; D65-S69 VanDerWaalsContact O-N 3.16Å; D65-T70 PolarHBondContact N-O 2.88Å; D65-T70 PolarHBondContact O-N 2.91Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å
66K88.7Confident94.5Very high102 Ų10246.8 Ų46.844%0.44327%0.274SS..THydrogen-bonded Turntrans-68.1-31.3-179.7-63178.5178.8179.30112I45 Y46 S68 S69I45-K66 WeakPolarHBondContact O-CE 3.41Å; Y46-K66 WeakPolarHBondContact O-CE 3.48Å; Y46-K66 PolarHBondContact O-NZ 2.83Å; K66-S68 VanDerWaalsContact C-N 3.32Å; K66-S68 PolarHBondContact O-N 2.91Å; K66-S69 PolarHBondContact O-N 2.85Å
67S89.1Confident94.6Very high112 Ų11256 Ų5678%0.78331%0.309SS*.THydrogen-bonded Turntrans-66.8-36.9-176.373.30000111.8D65D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.78Å; D65-S67 WeakPolarHBondContact OD1-CB 3.22Å; D65-S67 PolarHBondContact OD1-N 2.81Å; D65-S67 PolarHBondContact OD1-OG 2.86Å; D65-S67 PolarHBondContact OD2-OG 2.03Å
68S91.1Very high94.6Very high40 Ų4049.2 Ų49.228%0.2828%0.279SS..THydrogen-bonded Turntrans-98.13.3177.766.60000113.6D65 K66 T70D65-S68 PolarHBondContact OD1-N 2.85Å; D65-S68 WeakPolarHBondContact OD2-CB 3.24Å; D65-S68 PolarHBondContact OD2-OG 2.79Å; K66-S68 VanDerWaalsContact C-N 3.32Å; K66-S68 PolarHBondContact O-N 2.91Å; S68-T70 PolarHBondContact O-N 3.32Å; S68-T70 PolarHBondContact O-OG1 2.97Å; S68-T70 WeakPolarHBondContact OG-CB 3.41Å; S68-T70 PolarHBondContact OG-OG1 2.82Å
69S90.9Very high94.7Very high44 Ų4448.4 Ų48.431%0.30826%0.259SS..THydrogen-bonded Turntrans48.843.8-173.3-63.90000112.5G16 F21 D65 K66G16-S69 PolarHBondContact N-O 2.86Å; F21-S69 VanDerWaalsContact CD1-CA 3.41Å; F21-S69 WeakPolarHBondContact CE1-O 3.41Å; F21-S69 WeakPolarHBondContact CE2-O 3.17Å; F21-S69 WeakPolarHBondContact CZ-O 3.4Å; D65-S69 PolarHBondContact O-N 3.37Å; D65-S69 VanDerWaalsContact O-N 3.16Å; K66-S69 PolarHBondContact O-N 2.85Å
70T93.6Very high94.6Very high8 Ų850.5 Ų50.55%0.04928%0.279CS..EExtended strand (participates in β ladder)trans-128.1129-174.5-55.40000110.8C14 K15 D65 S68 Y72C14-T70 WeakPolarHBondContact O-CA 3.26Å; K15-T70 HydrophobicContact CB-CG2 4.43Å; D65-T70 PolarHBondContact N-O 2.88Å; D65-T70 PolarHBondContact O-N 2.91Å; S68-T70 PolarHBondContact O-N 3.32Å; S68-T70 PolarHBondContact O-OG1 2.97Å; S68-T70 WeakPolarHBondContact OG-CB 3.41Å; S68-T70 PolarHBondContact OG-OG1 2.82Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.41Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.81Å
71A94.7Very high94.3Very high0 Ų057.9 Ų57.90%031%0.313CS..EExtended strand (participates in β ladder)trans-98.2150.6167.700000109.8S13 C14 F21 L26 W28 T63 V64S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; C14-A71 PolarHBondContact N-O 2.94Å; C14-A71 PolarHBondContact O-N 3.3Å; F21-A71 HydrophobicContact CZ-CB 4.04Å; L26-A71 HydrophobicContact CD2-CB 3.25Å; W28-A71 HydrophobicContact CZ2-CB 4.31Å; T63-A71 CarbonylContact O-C 3.46Å; T63-A71 WeakPolarHBondContact O-CA 3.33Å; V64-A71 HydrophobicContact CG2-CB 4.38Å
72Y96.4Very high94.2Very high55 Ų5555 Ų5522%0.21630%0.295CS..EExtended strand (participates in β ladder)trans-128.2148178.2-56.2-86.6000110.9K11 I12 V62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.3Å; K11-Y72 HydrophobicContact CG-CD1 4.23Å; I12-Y72 CarbonylContact O-C 3.56Å; I12-Y72 WeakPolarHBondContact O-CA 3.31Å; V62-Y72 CarbonylContact C-O 3.52Å; V62-Y72 VanDerWaalsContact CA-O 3.25Å; V62-Y72 WeakPolarHBondContact CA-O 3.04Å; T63-Y72 PolarHBondContact N-O 2.72Å; T63-Y72 PolarHBondContact O-N 3.38Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.41Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.81Å
73M97.6Very high94.1Very high0 Ų055.2 Ų55.20%030%0.297CS..EExtended strand (participates in β ladder)trans-124.1119.6165.9179.8-176.665.400108.6I12 W28 I40 A60 T61 V62 L75 Y86I12-M73 HydrophobicContact CB-CE 4.47Å; I12-M73 HydrophobicContact CD1-CE 3.74Å; I12-M73 HydrophobicContact CG1-CE 4.38Å; I12-M73 PolarHBondContact N-O 3.38Å; I12-M73 PolarHBondContact O-N 2.94Å; W28-M73 HydrophobicContact CB-SD 3.91Å; W28-M73 HydrophobicContact CD2-CB 3.66Å; W28-M73 HydrophobicContact CD2-CE 4.44Å; W28-M73 HydrophobicContact CD2-CG 4.36Å; W28-M73 HydrophobicContact CD2-SD 4.01Å; W28-M73 HydrophobicContact CE3-CB 3.8Å; W28-M73 HydrophobicContact CE3-CE 3.8Å; W28-M73 HydrophobicContact CE3-SD 3.97Å; W28-M73 HydrophobicContact CG-CB 4.26Å; W28-M73 HydrophobicContact CG-SD 4.01Å; W28-M73 HydrophobicContact CH2-CB 3.93Å; W28-M73 HydrophobicContact CZ2-CB 3.82Å; W28-M73 HydrophobicContact CZ3-CB 3.93Å; W28-M73 HydrophobicContact CZ3-CE 4.23Å; I40-M73 HydrophobicContact CD1-CE 4.15Å; I40-M73 HydrophobicContact CD1-SD 3.68Å; I40-M73 HydrophobicContact CG2-SD 4.01Å; A60-M73 HydrophobicContact CB-CG 4.44Å; T61-M73 CarbonylContact O-C 3.5Å; T61-M73 WeakPolarHBondContact O-CA 2.99Å; V62-M73 HydrophobicContact CG1-CB 4.07Å; V62-M73 HydrophobicContact CG1-CG 3.95Å; M73-L75 HydrophobicContact CE-CD1 3.79Å; M73-L75 HydrophobicContact CE-CD2 4.19Å; M73-L75 HydrophobicContact CE-CG 3.91Å; M73-L75 HydrophobicContact CG-CD2 4.49Å; M73-L75 HydrophobicContact CG-CG 4.43Å; M73-L75 HydrophobicContact SD-CD2 4.12Å; M73-L75 HydrophobicContact SD-CG 4.36Å; M73-Y86 HydrophobicContact CE-CD1 3.64Å; M73-Y86 HydrophobicContact CE-CE1 4.26Å; M73-Y86 HydrophobicContact CE-CG 4.13Å
74E97.7Very high94.2Very high90 Ų9052.3 Ų52.342%0.42128%0.28SS..EExtended strand (participates in β ladder)trans-94.3128168.3-170.9176.1161.300109.6V10 A60 T61V10-E74 CarbonylContact O-C 3.52Å; V10-E74 VanDerWaalsContact O-CA 3.29Å; V10-E74 WeakPolarHBondContact O-CA 3.36Å; A60-E74 CarbonylContact C-O 3.54Å; A60-E74 VanDerWaalsContact CA-O 3.31Å; A60-E74 WeakPolarHBondContact CA-O 3.3Å; T61-E74 PolarHBondContact N-O 3.06Å; T61-E74 PolarHBondContact O-N 3.04Å
75L96.9Very high94.3Very high0 Ų053.4 Ų53.40%028%0.284CS..EExtended strand (participates in β ladder)trans-108.2117.9173.4-67.3166.1000108.6S9 V10 I12 K59 A60 M73 L78 Y86S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.45Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; V10-L75 HydrophobicContact CG2-CB 4.04Å; V10-L75 HydrophobicContact CG2-CD1 4.22Å; V10-L75 PolarHBondContact N-O 2.92Å; V10-L75 PolarHBondContact O-N 3.05Å; I12-L75 HydrophobicContact CD1-CD1 4.2Å; K59-L75 WeakPolarHBondContact O-CA 3.5Å; A60-L75 HydrophobicContact CB-CD2 3.99Å; M73-L75 HydrophobicContact CE-CD1 3.79Å; M73-L75 HydrophobicContact CE-CD2 4.19Å; M73-L75 HydrophobicContact CE-CG 3.91Å; M73-L75 HydrophobicContact CG-CD2 4.49Å; M73-L75 HydrophobicContact CG-CG 4.43Å; M73-L75 HydrophobicContact SD-CD2 4.12Å; M73-L75 HydrophobicContact SD-CG 4.36Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; L75-Y86 HydrophobicContact CD1-CD1 4Å; L75-Y86 HydrophobicContact CD1-CD2 4.39Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 3.92Å; L75-Y86 HydrophobicContact CD1-CG 4.4Å; L75-Y86 HydrophobicContact CD2-CE1 4.39Å
76A97.1Very high94.5Very high27 Ų2750.9 Ų50.922%0.22327%0.27CS..  trans-89.8146.8-175.300000112.7S9 K59 L78S9-A76 WeakPolarHBondContact OG-CA 3.36Å; K59-A76 WeakPolarHBondContact CD-O 3.5Å; K59-A76 WeakPolarHBondContact CE-O 3.39Å; K59-A76 PolarHBondContact NZ-O 3.49Å; K59-A76 VanDerWaalsContact NZ-O 3.1Å; K59-A76 PolarHBondContact O-N 3.45Å; A76-L78 PolarHBondContact O-N 3.4Å
77R95.8Very high94.9Very high198 Ų19848 Ų4875%0.74726%0.256SS*.SBendtrans50.755.8167.5-57176.8-177.3175.90.6112.6V8 K59V8-R77 PolarHBondContact O-N 2.84Å; K59-R77 PolarHBondContact NZ-O 3.27Å
78L95.5Very high95.2Very high1 Ų143.4 Ų43.41%0.00522%0.224CC..  trans-59.1142.7-173.3-70.2178.5000113V4 P6 G7 V8 V10 L75 A76 D82 V111 V113V4-L78 HydrophobicContact CG2-CD1 3.62Å; P6-L78 WeakPolarHBondContact CA-O 3.32Å; G7-L78 PolarHBondContact N-O 2.81Å; V8-L78 WeakPolarHBondContact O-CB 3.47Å; V8-L78 WeakPolarHBondContact O-CG 3.47Å; V8-L78 PolarHBondContact O-N 2.94Å; V10-L78 HydrophobicContact CB-CD1 4.19Å; V10-L78 HydrophobicContact CG1-CD1 3.52Å; V10-L78 HydrophobicContact CG2-CD1 3.71Å; V10-L78 HydrophobicContact CG2-CG 4.48Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; A76-L78 PolarHBondContact O-N 3.4Å; L78-D82 WeakPolarHBondContact CA-OD2 3.26Å; L78-D82 HydrophobicContact CD2-CB 3.59Å; L78-V111 HydrophobicContact CD1-CG1 4.07Å; L78-V113 HydrophobicContact CB-CG1 4.29Å; L78-V113 HydrophobicContact CB-CG2 3.86Å; L78-V113 HydrophobicContact CD1-CG2 4.01Å; L78-V113 HydrophobicContact CG-CG2 4.46Å
79T95.1Very high95.3Very high60 Ų6041.5 Ų41.537%0.36821%0.211SC..  trans-118.9170.317266.80000109.9E81 D82 V113T79-E81 PolarHBondContact O-N 3.48Å; T79-E81 VanDerWaalsContact O-N 3.15Å; T79-D82 PolarHBondContact N-OD2 3.1Å; T79-D82 WeakPolarHBondContact O-CB 3.29Å; T79-D82 PolarHBondContact O-N 3.16Å; T79-D82 PolarHBondContact OG1-OD2 3Å; T79-V113 WeakPolarHBondContact O-CB 3.2Å; T79-V113 WeakPolarHBondContact O-CG2 3.26Å
80S93.4Very high95.2Very high86 Ų8640.4 Ų40.460%0.60120%0.2SC*.G310 helixtrans-53.9-34.117650.40000112.7D82 S83S80-D82 PolarHBondContact O-N 2.63Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.29Å; S80-S83 PolarHBondContact O-N 2.95Å; S80-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 PolarHBondContact O-OG 2.75Å
81E91.8Very high94.4Very high158 Ų15842.9 Ų42.974%0.73821%0.209SC*.G310 helixtrans-65.2-19.3176.9-60.6-177.7175.900113.7K30 T79 S83K30-E81 PolarHBondContact NZ-O 2.99Å; T79-E81 PolarHBondContact O-N 3.48Å; T79-E81 VanDerWaalsContact O-N 3.15Å; E81-S83 VanDerWaalsContact C-N 3.27Å
82D93.9Very high93.2Very high12 Ų1243 Ų436%0.06421%0.21CC..G310 helixtrans-81.1-6.4174.9-63-52.2000113K30 K59 L78 T79 S80 A84 Y86 V113K30-D82 IonicContact NZ-OD1 2.66Å; K59-D82 WeakPolarHBondContact CE-OD2 3.04Å; K59-D82 IonicContact NZ-OD1 3.87Å; K59-D82 IonicContact NZ-OD2 3.93Å; K59-D82 PolarHBondContact NZ-OD2 2.8Å; L78-D82 WeakPolarHBondContact CA-OD2 3.26Å; L78-D82 HydrophobicContact CD2-CB 3.59Å; T79-D82 PolarHBondContact N-OD2 3.1Å; T79-D82 WeakPolarHBondContact O-CB 3.29Å; T79-D82 PolarHBondContact O-N 3.16Å; T79-D82 PolarHBondContact OG1-OD2 3Å; S80-D82 PolarHBondContact O-N 2.63Å; D82-A84 PolarHBondContact O-N 3.26Å; D82-A84 VanDerWaalsContact O-N 3.09Å; D82-Y86 WeakPolarHBondContact O-CE2 3.41Å; D82-Y86 PolarHBondContact O-OH 2.98Å; D82-V113 HydrophobicContact CB-CG2 4.44Å
83S95.3Very high91.5Very high12 Ų1243 Ų438%0.08421%0.214CC..  trans-63.5115.5174.9-55.10000110.3H33 S80 E81 V111 V113H33-S83 PolarHBondContact CE1-O 3.26Å; H33-S83 PolarHBondContact ND1-O 3.28Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.29Å; S80-S83 PolarHBondContact O-N 2.95Å; S80-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 PolarHBondContact O-OG 2.75Å; E81-S83 VanDerWaalsContact C-N 3.27Å; S83-V111 VanDerWaalsContact CA-O 3.31Å; S83-V111 WeakPolarHBondContact CA-O 3.36Å; S83-V113 PolarHBondContact OG-N 3.23Å
84A96.3Very high89.5Confident5 Ų547.4 Ų47.44%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-167.3174.2-170.300000111.5K30 Q31 D82 Y86 V111K30-A84 HydrophobicContact CD-CB 4.13Å; K30-A84 HydrophobicContact CG-CB 3.52Å; Q31-A84 WeakPolarHBondContact O-CA 3.37Å; Q31-A84 VanDerWaalsContact O-CB 3.23Å; Q31-A84 WeakPolarHBondContact O-CB 3.08Å; D82-A84 PolarHBondContact O-N 3.26Å; D82-A84 VanDerWaalsContact O-N 3.09Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.86Å; A84-V111 PolarHBondContact N-O 3.27Å; A84-V111 PolarHBondContact O-N 2.69Å
85I96.9Very high87.4Confident57 Ų5752.9 Ų52.929%0.29226%0.255SS..EExtended strand (participates in β ladder)trans-97.9129.2162.1-51.1174.3000108.3Q31 Y87Q31-I85 HydrophobicContact CB-CB 4.44Å; Q31-I85 PolarHBondContact N-O 2.85Å; Q31-I85 PolarHBondContact O-N 2.92Å; Q31-I85 VanDerWaalsContact O-N 3.13Å; I85-Y87 HydrophobicContact CB-CE2 3.74Å; I85-Y87 HydrophobicContact CG2-CD2 4.19Å; I85-Y87 HydrophobicContact CG2-CE1 3.97Å; I85-Y87 HydrophobicContact CG2-CE2 3.47Å; I85-Y87 VanDerWaalsContact CG2-CE2 3.47Å; I85-Y87 WeakPolarHBondContact CG2-OH 3.28Å
86Y97.2Very high85.4Confident2 Ų260.1 Ų60.11%0.00829%0.294CS..EExtended strand (participates in β ladder)trans-107.5125.7-180-68.5-86.6000110.4I12 V29 K30 I40 M73 L75 D82 A84 G108 T109 V111I12-Y86 HydrophobicContact CD1-CD1 4.45Å; I12-Y86 HydrophobicContact CD1-CD2 3.86Å; I12-Y86 HydrophobicContact CD1-CG 3.7Å; V29-Y86 WeakPolarHBondContact O-CA 3.02Å; K30-Y86 HydrophobicContact CB-CD1 4.19Å; K30-Y86 HydrophobicContact CB-CE1 3.97Å; K30-Y86 HydrophobicContact CD-CE1 4.13Å; K30-Y86 HydrophobicContact CG-CD1 4.34Å; K30-Y86 HydrophobicContact CG-CE1 3.82Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.92Å; M73-Y86 HydrophobicContact CE-CD1 3.64Å; M73-Y86 HydrophobicContact CE-CE1 4.26Å; M73-Y86 HydrophobicContact CE-CG 4.13Å; L75-Y86 HydrophobicContact CD1-CD1 4Å; L75-Y86 HydrophobicContact CD1-CD2 4.39Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 3.92Å; L75-Y86 HydrophobicContact CD1-CG 4.4Å; L75-Y86 HydrophobicContact CD2-CE1 4.39Å; D82-Y86 WeakPolarHBondContact O-CE2 3.41Å; D82-Y86 PolarHBondContact O-OH 2.98Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.86Å; Y86-G108 CarbonylContact O-C 3.59Å; Y86-G108 VanDerWaalsContact O-CA 3.28Å; Y86-G108 WeakPolarHBondContact O-CA 3.25Å; Y86-T109 PolarHBondContact N-O 3.48Å; Y86-T109 PolarHBondContact O-N 2.9Å; Y86-V111 HydrophobicContact CD2-CB 4.07Å; Y86-V111 HydrophobicContact CD2-CG2 3.82Å; Y86-V111 HydrophobicContact CE2-CB 3.89Å; Y86-V111 HydrophobicContact CE2-CG2 4.06Å
87Y96.6Very high83.4Confident40 Ų4065.4 Ų65.416%0.15731%0.314CS..EExtended strand (participates in β ladder)trans-113.1144.3-178.4-61.5-86.4000110.2W28 V29 Q31 I85 W105 G106 G108W28-Y87 WeakPolarHBondContact CA-O 3.2Å; V29-Y87 PolarHBondContact N-O 3.24Å; V29-Y87 PolarHBondContact O-N 3.11Å; Q31-Y87 HydrophobicContact CB-CD2 4.26Å; Q31-Y87 HydrophobicContact CB-CE2 3.68Å; Q31-Y87 PolarHBondContact OE1-OH 2.9Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.12Å; I85-Y87 HydrophobicContact CB-CE2 3.74Å; I85-Y87 HydrophobicContact CG2-CD2 4.19Å; I85-Y87 HydrophobicContact CG2-CE1 3.97Å; I85-Y87 HydrophobicContact CG2-CE2 3.47Å; I85-Y87 VanDerWaalsContact CG2-CE2 3.47Å; I85-Y87 WeakPolarHBondContact CG2-OH 3.28Å; Y87-W105 HydrophobicContact CD1-CE3 4.21Å; Y87-W105 HydrophobicContact CD2-CZ3 4.42Å; Y87-W105 AromaticContact CG-CE3 3.92Å; Y87-W105 HydrophobicContact CG-CE3 3.92Å; Y87-W105 HydrophobicContact CG-CZ3 4.09Å; Y87-G106 WeakPolarHBondContact CD1-O 3.48Å; Y87-G108 VanDerWaalsContact CD1-CA 3.43Å; Y87-G108 VanDerWaalsContact CE1-CA 3.49Å
88C94.9Very high81.4Confident16 Ų1658.6 Ų58.611%0.10831%0.305CS..EExtended strand (participates in β ladder)trans-98.5143.5154.559.80000108.8C14 L26 H27 W28 G106C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.47Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.26Å; L26-C88 HydrophobicContact CD1-CB 4.31Å; L26-C88 HydrophobicContact CD2-CB 4.15Å; L26-C88 HydrophobicContact CG-CB 4.26Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 VanDerWaalsContact O-CA 3.24Å; H27-C88 WeakPolarHBondContact O-CA 2.93Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.23Å; W28-C88 HydrophobicContact CH2-CB 4.35Å; W28-C88 HydrophobicContact CZ3-CB 4.17Å; C88-G106 PolarHBondContact O-N 2.66Å
89A93.1Very high79.5Confident0 Ų067.2 Ų67.20%034%0.339CS..EExtended strand (participates in β ladder)trans-136.5130.817600000110.1H27 M102 Y104 W105H27-A89 WeakPolarHBondContact CB-O 3.32Å; H27-A89 PolarHBondContact N-O 3.38Å; H27-A89 PolarHBondContact O-N 3.38Å; A89-M102 HydrophobicContact CB-CB 4Å; A89-M102 HydrophobicContact CB-CG 4.33Å; A89-M102 HydrophobicContact CB-SD 4.02Å; A89-Y104 CarbonylContact C-O 3.59Å; A89-Y104 VanDerWaalsContact CA-O 3.22Å; A89-Y104 WeakPolarHBondContact CA-O 3.3Å; A89-W105 HydrophobicContact CB-CD2 3.68Å; A89-W105 HydrophobicContact CB-CE3 4.02Å; A89-W105 HydrophobicContact CB-CG 4.07Å; A89-W105 HydrophobicContact CB-CH2 4.36Å; A89-W105 HydrophobicContact CB-CZ2 4.04Å; A89-W105 HydrophobicContact CB-CZ3 4.35Å
90R88.6Confident78Confident21 Ų2171 Ų718%0.07935%0.348CS..EExtended strand (participates in β ladder)trans-93.7137.6176.3-173.8-168.271123.4-7.6108.9Y24 L26 D103 Y104Y24-R90 HydrophobicContact CD1-CG 3.94Å; Y24-R90 HydrophobicContact CG-CG 3.88Å; Y24-R90 PolarHBondContact OH-NH1 3.19Å; L26-R90 HydrophobicContact CD1-CB 4.14Å; R90-D103 PolarHBondContact O-N 2.97Å; R90-Y104 PolarHBondContact N-O 3.01Å; R90-Y104 VanDerWaalsContact NH2-CZ 3.35Å; R90-Y104 PolarHBondContact O-N 2.96Å
91R78.7Confident76.9Confident61 Ų6169 Ų6923%0.2334%0.337CS..PPolyproline II helixtrans-67.5128.7168.4174.9167.9155.8158.7-9.4110.3Y24 F25 Y100 A101Y24-R91 WeakPolarHBondContact CD1-O 3.43Å; F25-R91 HydrophobicContact CB-CB 4.46Å; F25-R91 PolarHBondContact O-N 3.12Å; R91-Y100 HydrophobicContact CG-CD1 4.32Å; R91-A101 VanDerWaalsContact CA-O 3.29Å; R91-A101 WeakPolarHBondContact CA-O 3.34Å
92G68.1Low76.5Confident3 Ų364.4 Ų64.43%0.03132%0.316CS..PPolyproline II helixtrans-75149.6170.700000111.1A101 D103G92-A101 PolarHBondContact N-O 3.25Å; G92-D103 VanDerWaalsContact CA-OD2 3.26Å; G92-D103 WeakPolarHBondContact CA-OD2 3.24Å; G92-D103 PolarHBondContact N-OD2 3.27Å
93D60.4Low75.8Confident55 Ų5568 Ų6829%0.29434%0.335SS..  trans-92.491.4165.3-57.7-35.7000106.7Y24 Y95Y24-D93 VanDerWaalsContact CE1-CG 3.41Å; Y24-D93 WeakPolarHBondContact CE1-OD1 3.22Å; Y24-D93 WeakPolarHBondContact CE1-OD2 3.4Å; Y24-D93 PolarHBondContact OH-OD2 3.36Å; D93-Y95 HydrophobicContact CB-CD2 3.9Å; D93-Y95 HydrophobicContact CB-CE1 4.42Å; D93-Y95 HydrophobicContact CB-CE2 3.44Å; D93-Y95 VanDerWaalsContact CB-CE2 3.44Å; D93-Y95 PolarHBondContact O-N 2.8Å; D93-Y95 PolarHBondContact OD2-OH 3.06Å
94D55.5Low75.4Confident92 Ų9274 Ų7449%0.49236%0.357SS..  trans-89.897.2160.9-148.7-16000107.2D96D94-D96 PolarHBondContact O-N 3.09Å
95Y54.6Low75.2Confident204 Ų20479 Ų7980%0.838%0.375SS*.THydrogen-bonded Turntrans-67.9-13.1-174.3-73.1-80.6000112.8D93D93-Y95 HydrophobicContact CB-CD2 3.9Å; D93-Y95 HydrophobicContact CB-CE1 4.42Å; D93-Y95 HydrophobicContact CB-CE2 3.44Å; D93-Y95 VanDerWaalsContact CB-CE2 3.44Å; D93-Y95 PolarHBondContact O-N 2.8Å; D93-Y95 PolarHBondContact OD2-OH 3.06Å
96D55.7Low75Confident152 Ų15277.6 Ų77.681%0.81337%0.374SS*.THydrogen-bonded Turntrans-94.5-26.8-172.6-102.5-20.8000114.8D94D94-D96 PolarHBondContact O-N 3.09Å
97E54.3Low74.9Confident139 Ų13986.4 Ų86.465%0.6542%0.416SS*.THydrogen-bonded Turntrans-122.7-2.3-167.8-68.6-164.4164.200116.3Y99E97-Y99 HydrophobicContact CB-CD2 4.16Å; E97-Y99 WeakPolarHBondContact O-CD2 3.26Å; E97-Y99 PolarHBondContact O-N 3.47Å
98G53.7Low74.8Confident54 Ų5485.8 Ų85.856%0.55742%0.422SS*.  trans66.44.9174.800000115.3
99Y54.7Low74.9Confident183 Ų18387.4 Ų87.472%0.71843%0.431SS*.  trans-95.5128.3171.9-65.4-71.7000110.1E97E97-Y99 HydrophobicContact CB-CD2 4.16Å; E97-Y99 WeakPolarHBondContact O-CD2 3.26Å; E97-Y99 PolarHBondContact O-N 3.47Å
100Y64.8Low75Confident138 Ų13889.3 Ų89.354%0.54145%0.445SS..  trans-107.393.3-175.1-62.8-69.6000110.5R91R91-Y100 HydrophobicContact CG-CD1 4.32Å
101A70.5Confident75.3Confident45 Ų4588.3 Ų88.337%0.37244%0.441SS..  trans-90154.8178.700000112R91 G92 D103R91-A101 VanDerWaalsContact CA-O 3.29Å; R91-A101 WeakPolarHBondContact CA-O 3.34Å; G92-A101 PolarHBondContact N-O 3.25Å; A101-D103 VanDerWaalsContact C-N 3.32Å; A101-D103 WeakPolarHBondContact CB-OD1 3.48Å; A101-D103 PolarHBondContact O-N 3.41Å
102M82Confident76.2Confident62 Ų6288 Ų8831%0.30545%0.446SS..  trans-83.778.7170.8-66-173.6-160.400108.2H27 V29 A89 W105H27-M102 HydrophobicContact CB-CE 3.84Å; H27-M102 HydrophobicContact CB-SD 3.79Å; H27-M102 WeakPolarHBondContact ND1-CE 3.15Å; V29-M102 HydrophobicContact CG2-SD 4.28Å; A89-M102 HydrophobicContact CB-CB 4Å; A89-M102 HydrophobicContact CB-CG 4.33Å; A89-M102 HydrophobicContact CB-SD 4.02Å; M102-W105 HydrophobicContact CB-CZ2 4.08Å; M102-W105 VanDerWaalsContact O-CD1 3.31Å; M102-W105 PolarHBondContact O-NE1 2.98Å; M102-W105 HydrophobicContact SD-CH2 4.49Å; M102-W105 HydrophobicContact SD-CZ2 4.1Å
103D80.7Confident77.4Confident87 Ų8788.2 Ų88.247%0.46545%0.447SS..  trans-82.5-22.8-167.8-58.5-48.8000113.8R90 G92 A101R90-D103 PolarHBondContact O-N 2.97Å; G92-D103 VanDerWaalsContact CA-OD2 3.26Å; G92-D103 WeakPolarHBondContact CA-OD2 3.24Å; G92-D103 PolarHBondContact N-OD2 3.27Å; A101-D103 VanDerWaalsContact C-N 3.32Å; A101-D103 WeakPolarHBondContact CB-OD1 3.48Å; A101-D103 PolarHBondContact O-N 3.41Å
104Y87Confident78.9Confident138 Ų13888.1 Ų88.154%0.54145%0.45SS..EExtended strand (participates in β ladder)trans-120.4113.3-175.3-60.5-93.5000110.7A89 R90A89-Y104 CarbonylContact C-O 3.59Å; A89-Y104 VanDerWaalsContact CA-O 3.22Å; A89-Y104 WeakPolarHBondContact CA-O 3.3Å; R90-Y104 PolarHBondContact N-O 3.01Å; R90-Y104 VanDerWaalsContact NH2-CZ 3.35Å; R90-Y104 PolarHBondContact O-N 2.96Å
105W91.9Very high80.2Confident109 Ų10991.5 Ų91.541%0.41348%0.481SS..EExtended strand (participates in β ladder)trans-107.9139.8-179.2-69.468.7000111.5V29 L37 Y87 A89 M102V29-W105 HydrophobicContact CB-CH2 4.04Å; V29-W105 HydrophobicContact CB-CZ3 3.87Å; V29-W105 HydrophobicContact CG1-CH2 4.01Å; V29-W105 HydrophobicContact CG1-CZ3 4.05Å; V29-W105 HydrophobicContact CG2-CH2 3.75Å; V29-W105 HydrophobicContact CG2-CZ3 3.98Å; L37-W105 HydrophobicContact CD1-CH2 4.3Å; Y87-W105 HydrophobicContact CD1-CE3 4.21Å; Y87-W105 HydrophobicContact CD2-CZ3 4.42Å; Y87-W105 AromaticContact CG-CE3 3.92Å; Y87-W105 HydrophobicContact CG-CE3 3.92Å; Y87-W105 HydrophobicContact CG-CZ3 4.09Å; A89-W105 HydrophobicContact CB-CD2 3.68Å; A89-W105 HydrophobicContact CB-CE3 4.02Å; A89-W105 HydrophobicContact CB-CG 4.07Å; A89-W105 HydrophobicContact CB-CH2 4.36Å; A89-W105 HydrophobicContact CB-CZ2 4.04Å; A89-W105 HydrophobicContact CB-CZ3 4.35Å; M102-W105 HydrophobicContact CB-CZ2 4.08Å; M102-W105 VanDerWaalsContact O-CD1 3.31Å; M102-W105 PolarHBondContact O-NE1 2.98Å; M102-W105 HydrophobicContact SD-CH2 4.49Å; M102-W105 HydrophobicContact SD-CZ2 4.1Å
106G92.9Very high81.4Confident28 Ų2885.9 Ų85.929%0.28947%0.465SS..  trans-67.7163.5164.800000111.4Y87 C88 G108Y87-G106 WeakPolarHBondContact CD1-O 3.48Å; C88-G106 PolarHBondContact O-N 2.66Å; G106-G108 PolarHBondContact O-N 3.48Å; G106-G108 VanDerWaalsContact O-N 3.1Å
107Q93.9Very high82.8Confident187 Ų18782.4 Ų82.487%0.87445%0.446SS*.  trans-63.9-16.7179.3-65.7-63-40.900113.8
108G94.9Very high84.4Confident28 Ų2879.2 Ų79.229%0.28944%0.435SS..  trans88.1147.4-177.600000112.9Y86 Y87 G106Y86-G108 CarbonylContact O-C 3.59Å; Y86-G108 VanDerWaalsContact O-CA 3.28Å; Y86-G108 WeakPolarHBondContact O-CA 3.25Å; Y87-G108 VanDerWaalsContact CD1-CA 3.43Å; Y87-G108 VanDerWaalsContact CE1-CA 3.49Å; G106-G108 PolarHBondContact O-N 3.48Å; G106-G108 VanDerWaalsContact O-N 3.1Å
109T96.3Very high86.2Confident49 Ų4980.7 Ų80.730%0.30143%0.428SS..EExtended strand (participates in β ladder)trans-116.4115.9174.4-610000108.8I12 Y86 V111I12-T109 HydrophobicContact CG2-CG2 4.36Å; Y86-T109 PolarHBondContact N-O 3.48Å; Y86-T109 PolarHBondContact O-N 2.9Å; T109-V111 HydrophobicContact CG2-CG2 4.4Å
110S96Very high88.1Confident41 Ų4174.3 Ų74.329%0.28741%0.41SS..EExtended strand (participates in β ladder)trans-74.8125.8172.21710000109.8P1 E2P1-S110 CarbonylContact C-O 3.45Å; P1-S110 WeakPolarHBondContact CA-O 2.93Å; E2-S110 PolarHBondContact N-O 3Å
111V95.8Very high89.7Confident0 Ų070.1 Ų70.10%040%0.401CS..EExtended strand (participates in β ladder)trans-118.1129.9171178.20000107.8E2 V4 V10 I12 L78 S83 A84 Y86 T109 V113E2-V111 WeakPolarHBondContact O-CA 3.47Å; V4-V111 HydrophobicContact CG2-CG1 4.22Å; V10-V111 HydrophobicContact CG2-CG1 4.48Å; I12-V111 HydrophobicContact CD1-CG2 3.95Å; L78-V111 HydrophobicContact CD1-CG1 4.07Å; S83-V111 VanDerWaalsContact CA-O 3.31Å; S83-V111 WeakPolarHBondContact CA-O 3.36Å; A84-V111 PolarHBondContact N-O 3.27Å; A84-V111 PolarHBondContact O-N 2.69Å; Y86-V111 HydrophobicContact CD2-CB 4.07Å; Y86-V111 HydrophobicContact CD2-CG2 3.82Å; Y86-V111 HydrophobicContact CE2-CB 3.89Å; Y86-V111 HydrophobicContact CE2-CG2 4.06Å; T109-V111 HydrophobicContact CG2-CG2 4.4Å; V111-V113 HydrophobicContact CG1-CG2 4.41Å
112T95.9Very high91.1Very high54 Ų5471.9 Ų71.933%0.33140%0.403SS..EExtended strand (participates in β ladder)trans-124.4124.7179.1-56.50000109.4E2 L3 V4E2-T112 PolarHBondContact O-N 3.13Å; L3-T112 WeakPolarHBondContact CA-O 3.35Å; L3-T112 HydrophobicContact CD1-CG2 3.85Å; V4-T112 PolarHBondContact N-O 3.06Å
113V94.9Very high91.8Very high8 Ų872.6 Ų72.65%0.04841%0.411CS..EExtended strand (participates in β ladder)trans-109.3108.9-178.6-170.80000108.6V4 P6 L78 T79 D82 S83 V111V4-V113 HydrophobicContact CG2-CB 4.42Å; V4-V113 HydrophobicContact CG2-CG2 3.85Å; V4-V113 WeakPolarHBondContact O-CA 3.49Å; P6-V113 HydrophobicContact CB-CG1 4.32Å; P6-V113 HydrophobicContact CG-CG1 4.08Å; L78-V113 HydrophobicContact CB-CG1 4.29Å; L78-V113 HydrophobicContact CB-CG2 3.86Å; L78-V113 HydrophobicContact CD1-CG2 4.01Å; L78-V113 HydrophobicContact CG-CG2 4.46Å; T79-V113 WeakPolarHBondContact O-CB 3.2Å; T79-V113 WeakPolarHBondContact O-CG2 3.26Å; D82-V113 HydrophobicContact CB-CG2 4.44Å; S83-V113 PolarHBondContact OG-N 3.23Å; V111-V113 HydrophobicContact CG1-CG2 4.41Å
114S91.8Very high92.7Very high53 Ų5371.4 Ų71.437%0.37141%0.406SS..  trans-136.8146.5-179.769.40000111.6L3 V4 P6L3-S114 WeakPolarHBondContact CD1-OG 3.34Å; V4-S114 PolarHBondContact O-N 2.88Å; P6-S114 WeakPolarHBondContact CD-O 3.17Å
115S81.2Confident93.2Very high162 Ų16265.4 Ų65.4100%1.13339%0.394SS*.  trans-73.70172.558.10000112.3

Retrieved 115 of 115 residues in 66.4 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).