A0A087XSK7_POEFO Loading...

V-set and transmembrane domain containing 2B

AlphaFold DB , UniProt , Accession A0A087XSK7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 221 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
1L36.3Very low67.7Low219 Ų219114.5 Ų114.5100%1.14763%0.625SS**  0106.60-100.874.2000107.2M3L1-M3 PolarHBondContact O-N 3.39Å
2F38.4Very low70.2Confident196 Ų196112.5 Ų112.586%0.8661%0.608SS**  trans-76.6114.4166.8-73.3-83.4000106.7H4F2-H4 PolarHBondContact O-N 3.15Å
3M43.2Very low72.4Confident183 Ų183109.3 Ų109.390%0.90159%0.594SS**  trans-57.9107.6164.8-69.8-73-124.700106.3L1 G5L1-M3 PolarHBondContact O-N 3.39Å; M3-G5 PolarHBondContact O-N 3.48Å
4H47Very low74.3Confident171 Ų171101.9 Ų101.979%0.79256%0.555SS**  trans-70.487.4169.1-75.294.2000106.8F2 T6F2-H4 PolarHBondContact O-N 3.15Å; H4-T6 PolarHBondContact O-N 3.31Å
5G53.2Low75.9Confident67 Ų67106 Ų10669%0.69157%0.565SS**  trans-62.5114.5160.400000106.9M3 E7M3-G5 PolarHBondContact O-N 3.48Å; G5-E7 PolarHBondContact O-N 3.49Å
6T63.9Low77.2Confident72 Ų72106.4 Ų106.444%0.44257%0.567SS.*  trans-64.2103.1168.842.60000107.6H4 A8H4-T6 PolarHBondContact O-N 3.31Å; T6-A8 PolarHBondContact O-N 3.38Å
7E83.8Confident78.4Confident137 Ų137103.5 Ų103.564%0.6455%0.554SS**EExtended strand (participates in β ladder)trans-75.5115.6171.6179.2175.6-176.700107.9G5 L34G5-E7 PolarHBondContact O-N 3.49Å; E7-L34 HydrophobicContact CB-CB 4.24Å; E7-L34 HydrophobicContact CB-CD1 4.06Å; E7-L34 HydrophobicContact CB-CG 4.39Å; E7-L34 HydrophobicContact CG-CD1 3.95Å; E7-L34 WeakPolarHBondContact O-CB 3.36Å; E7-L34 PolarHBondContact O-N 2.76Å
8A89.4Confident79.4Confident24 Ų24101.8 Ų101.820%0.19855%0.552CS.*EExtended strand (participates in β ladder)trans-138.1135.4-178.400000110.4T6 F31 K32 A33 F116T6-A8 PolarHBondContact O-N 3.38Å; A8-F31 HydrophobicContact CB-CE1 3.99Å; A8-F31 HydrophobicContact CB-CE2 4.19Å; A8-F31 HydrophobicContact CB-CZ 3.4Å; A8-K32 WeakPolarHBondContact CA-O 3.27Å; A8-A33 HydrophobicContact CB-CB 3.91Å; A8-F116 HydrophobicContact CB-CE1 4.27Å; A8-F116 HydrophobicContact CB-CE2 4.41Å; A8-F116 HydrophobicContact CB-CZ 3.91Å
9A94.4Very high80.3Confident54 Ų5497.3 Ų97.345%0.44653%0.528SS..EExtended strand (participates in β ladder)trans-153.3156.9-172.700000112.6F31 K32A9-F31 WeakPolarHBondContact O-CD2 3.32Å; A9-K32 PolarHBondContact N-O 2.94Å; A9-K32 PolarHBondContact O-N 3.47Å
10F96.9Very high81.1Confident45 Ų4593.1 Ų93.120%0.19751%0.509CS..EExtended strand (participates in β ladder)trans-72.3130.4168.9-67.7-82.9000110.7V13 A30 F31 V105 F116 V118F10-V13 HydrophobicContact CB-CG2 3.62Å; F10-V13 HydrophobicContact CG-CG2 4.38Å; F10-A30 CarbonylContact C-O 3.59Å; F10-A30 VanDerWaalsContact CA-O 3.27Å; F10-A30 WeakPolarHBondContact CA-O 3.27Å; F10-F31 HydrophobicContact CD1-CB 4.2Å; F10-F31 HydrophobicContact CD1-CD2 4.02Å; F10-F31 HydrophobicContact CD2-CD2 4.3Å; F10-F31 HydrophobicContact CE1-CB 4.39Å; F10-F31 HydrophobicContact CE1-CD2 4.07Å; F10-F31 HydrophobicContact CE2-CD2 4.36Å; F10-F31 HydrophobicContact CG-CD2 4.14Å; F10-F31 HydrophobicContact CZ-CD2 4.25Å; F10-V105 HydrophobicContact CE1-CG2 3.84Å; F10-V105 HydrophobicContact CZ-CG2 4.3Å; F10-F116 HydrophobicContact CE2-CB 3.71Å; F10-F116 HydrophobicContact CZ-CB 3.79Å; F10-F116 WeakPolarHBondContact CZ-O 3.25Å; F10-V118 HydrophobicContact CD1-CG1 4.4Å; F10-V118 HydrophobicContact CD1-CG2 3.86Å; F10-V118 HydrophobicContact CD2-CG1 3.46Å; F10-V118 VanDerWaalsContact CD2-CG1 3.46Å; F10-V118 HydrophobicContact CD2-CG2 4.38Å; F10-V118 HydrophobicContact CE1-CG1 4.47Å; F10-V118 HydrophobicContact CE1-CG2 3.66Å; F10-V118 HydrophobicContact CE2-CB 4.35Å; F10-V118 HydrophobicContact CE2-CG1 3.53Å; F10-V118 HydrophobicContact CE2-CG2 4.19Å; F10-V118 HydrophobicContact CG-CG1 3.92Å; F10-V118 HydrophobicContact CG-CG2 4.22Å; F10-V118 HydrophobicContact CZ-CB 4.4Å; F10-V118 HydrophobicContact CZ-CG1 4.05Å; F10-V118 HydrophobicContact CZ-CG2 3.82Å
11T98Very high81.8Confident91 Ų9192.9 Ų92.956%0.55850%0.504SS*.EExtended strand (participates in β ladder)trans-96.8-27173.658.20000112.1A30 K32T11-A30 PolarHBondContact N-O 3.45Å; T11-A30 VanDerWaalsContact OG1-CB 3.3Å; T11-A30 WeakPolarHBondContact OG1-CB 3.41Å; T11-A30 PolarHBondContact OG1-O 2.96Å; T11-K32 HydrophobicContact CG2-CB 3.79Å
12E98.4Very high84.6Confident91 Ų9184.7 Ų84.743%0.42547%0.473SS..EExtended strand (participates in β ladder)trans-131.3129.9168.3-63.7-177.5-166.300108.6P28 C29 A30 R87E12-P28 HydrophobicContact CB-CB 4.33Å; E12-P28 WeakPolarHBondContact OE2-CB 3.41Å; E12-C29 WeakPolarHBondContact O-CA 3.45Å; E12-A30 HydrophobicContact CB-CB 3.78Å; E12-A30 HydrophobicContact CG-CB 4.02Å; E12-A30 PolarHBondContact N-O 3.1Å; E12-A30 PolarHBondContact O-N 2.95Å; E12-R87 IonicContact OE2-NH2 3.87Å
13V98.4Very high87.4Confident71 Ų7180.3 Ų80.343%0.4346%0.455SS..  trans-118.6133.9-178.2-179.80000107.9F10 V118F10-V13 HydrophobicContact CB-CG2 3.62Å; F10-V13 HydrophobicContact CG-CG2 4.38Å; V13-V118 HydrophobicContact CG1-CB 3.93Å; V13-V118 HydrophobicContact CG1-CG1 3.98Å; V13-V118 HydrophobicContact CG1-CG2 4.23Å; V13-V118 HydrophobicContact CG2-CG1 4.31Å
14P98.3Very high90Very high6 Ų677.1 Ų77.14%0.03944%0.442CS..  trans-65.5152.1175.831.2-37.5000110.6M27 P28 W45 V118 A120P14-M27 HydrophobicContact CB-CB 4.09Å; P14-M27 HydrophobicContact CB-CG 4.43Å; P14-P28 WeakPolarHBondContact CA-O 3.17Å; P14-P28 WeakPolarHBondContact CD-O 3.27Å; P14-W45 HydrophobicContact CB-CH2 3.72Å; P14-W45 HydrophobicContact CB-CZ3 4.47Å; P14-W45 HydrophobicContact CG-CH2 3.75Å; P14-W45 HydrophobicContact CG-CZ3 4.3Å; P14-V118 HydrophobicContact CG-CG2 4.24Å; P14-A120 HydrophobicContact CB-CB 3.73Å; P14-A120 HydrophobicContact CG-CB 4.1Å
15K98.2Very high92.4Very high163 Ų16369.3 Ų69.371%0.70941%0.406SS*.  trans-118.8145-175.8-63.3-179.6-178177.50110.7T17 A120K15-T17 PolarHBondContact O-N 3.12Å; K15-T17 PolarHBondContact O-OG1 2.8Å; K15-A120 WeakPolarHBondContact O-CB 3.33Å
16D98Very high94.5Very high112 Ų11272 Ų7260%0.59940%0.401SS*.  trans-55.1129.4170.1-65.9-11.7000109.8A120 T121D16-A120 WeakPolarHBondContact OD1-CA 3.25Å; D16-T121 WeakPolarHBondContact CA-O 3.46Å; D16-T121 PolarHBondContact OD1-N 3.07Å
17T96.4Very high96.2Very high57 Ų5768.9 Ų68.935%0.3538%0.381SS..EExtended strand (participates in β ladder)trans-138.3143.8-174.4-56.20000109.7K15 V19 T121 L122 T123K15-T17 PolarHBondContact O-N 3.12Å; K15-T17 PolarHBondContact O-OG1 2.8Å; T17-V19 HydrophobicContact CG2-CG1 3.91Å; T17-T121 PolarHBondContact N-O 2.87Å; T17-L122 WeakPolarHBondContact O-CA 3.37Å; T17-T123 PolarHBondContact O-N 2.77Å
18S96.4Very high96.9Very high73 Ų7363.8 Ų63.851%0.5136%0.36SS..EExtended strand (participates in β ladder)trans-120.9126.1173.1-1700000109.2T123S18-T123 VanDerWaalsContact CA-O 3.27Å; S18-T123 WeakPolarHBondContact CA-O 3.37Å
19V96.6Very high97.3Very high16 Ų1662.7 Ų62.710%0.09735%0.351CS..EExtended strand (participates in β ladder)trans-134.5162.1-177.4-65.80000111.1T17 E23 V25 V93 L122 T123 I124 T125T17-V19 HydrophobicContact CG2-CG1 3.91Å; V19-E23 WeakPolarHBondContact CA-OE2 3.22Å; V19-E23 HydrophobicContact CB-CB 4.16Å; V19-E23 VanDerWaalsContact CB-OE2 3.25Å; V19-E23 WeakPolarHBondContact CB-OE2 3.32Å; V19-V25 HydrophobicContact CB-CG2 4.33Å; V19-V25 HydrophobicContact CG1-CG2 3.91Å; V19-V25 HydrophobicContact CG2-CG2 3.64Å; V19-V93 HydrophobicContact CG2-CG2 3.72Å; V19-L122 HydrophobicContact CG2-CD1 3.87Å; V19-T123 PolarHBondContact N-O 2.95Å; V19-I124 HydrophobicContact CG2-CD1 3.46Å; V19-I124 VanDerWaalsContact CG2-CD1 3.46Å; V19-I124 CarbonylContact O-C 3.57Å; V19-I124 WeakPolarHBondContact O-CA 3.39Å; V19-T125 PolarHBondContact O-N 2.66Å; V19-T125 PolarHBondContact O-OG1 3.1Å
20G96Very high97.5Very high14 Ų1460.4 Ų60.414%0.14433%0.332CS..EExtended strand (participates in β ladder)trans-76153.5170.600000112.6G22 E23 T125G20-G22 PolarHBondContact O-N 3.21Å; G20-E23 PolarHBondContact N-OE2 2.99Å; G20-E23 WeakPolarHBondContact O-CB 3.45Å; G20-E23 WeakPolarHBondContact O-CG 3.32Å; G20-E23 PolarHBondContact O-N 2.78Å; G20-T125 WeakPolarHBondContact CA-OG1 3.22Å
21E95.8Very high97.5Very high89 Ų8958.4 Ų58.442%0.41632%0.323SS..THydrogen-bonded Turntrans-54.8135.3166.5-71.1-178.3-16200111.1E23 V93 I124 T125E21-E23 VanDerWaalsContact C-N 3.35Å; E21-V93 CarbonylContact C-O 3.53Å; E21-V93 WeakPolarHBondContact CA-O 3.44Å; E21-I124 HydrophobicContact CB-CG2 4.43Å; E21-I124 HydrophobicContact CG-CG2 3.51Å; E21-T125 PolarHBondContact N-O 2.76Å; E21-T125 VanDerWaalsContact N-O 3.13Å
22G95.7Very high97.4Very high47 Ų4759.3 Ų59.349%0.48532%0.319SS..THydrogen-bonded Turntrans87.9-6.8-178.300000114.9G20 V93G20-G22 PolarHBondContact O-N 3.21Å; G22-V93 PolarHBondContact N-O 3.42Å
23E97.1Very high97.2Very high103 Ų10355.1 Ų55.148%0.48130%0.3SS..  trans-75.7166.7175-63.2-163.3123.400112.4V19 G20 E21 K92 V93V19-E23 WeakPolarHBondContact CA-OE2 3.22Å; V19-E23 HydrophobicContact CB-CB 4.16Å; V19-E23 VanDerWaalsContact CB-OE2 3.25Å; V19-E23 WeakPolarHBondContact CB-OE2 3.32Å; G20-E23 PolarHBondContact N-OE2 2.99Å; G20-E23 WeakPolarHBondContact O-CB 3.45Å; G20-E23 WeakPolarHBondContact O-CG 3.32Å; G20-E23 PolarHBondContact O-N 2.78Å; E21-E23 VanDerWaalsContact C-N 3.35Å; E23-K92 WeakPolarHBondContact O-CA 3.47Å; E23-K92 PolarHBondContact O-N 3Å; E23-K92 VanDerWaalsContact O-N 3.1Å; E23-V93 WeakPolarHBondContact O-CG2 3.43Å; E23-V93 PolarHBondContact O-N 3.13Å
24N97.6Very high96.7Very high117 Ų11756.2 Ų56.263%0.62630%0.303SS*.  trans-105.5143.9173.7-61.3-27000109.2L90 S91 K92N24-L90 CarbonylContact C-O 3.59Å; N24-L90 WeakPolarHBondContact CA-O 3.32Å; N24-S91 VanDerWaalsContact OD1-CA 3.22Å; N24-S91 WeakPolarHBondContact OD1-CA 3.4Å; N24-K92 PolarHBondContact OD1-N 3Å
25V97.8Very high96Very high7 Ų757.8 Ų57.84%0.04231%0.314CS..EExtended strand (participates in β ladder)trans-127.7138.4-177.8179.70000109.4V19 M27 S89 L90 V93 L122V19-V25 HydrophobicContact CB-CG2 4.33Å; V19-V25 HydrophobicContact CG1-CG2 3.91Å; V19-V25 HydrophobicContact CG2-CG2 3.64Å; V25-M27 HydrophobicContact CG1-CE 4.23Å; V25-M27 HydrophobicContact CG1-CG 4.25Å; V25-S89 CarbonylContact O-C 3.56Å; V25-S89 WeakPolarHBondContact O-CA 3.34Å; V25-L90 HydrophobicContact CB-CB 4.38Å; V25-L90 PolarHBondContact N-O 2.99Å; V25-L90 PolarHBondContact O-N 2.81Å; V25-V93 HydrophobicContact CG2-CG1 3.96Å; V25-L122 HydrophobicContact CG1-CD1 4.2Å; V25-L122 HydrophobicContact CG2-CD1 3.94Å; V25-L122 HydrophobicContact CG2-CD2 4.41Å
26E98.2Very high95.2Very high124 Ų12456 Ų5658%0.57932%0.322SS*.EExtended strand (participates in β ladder)trans-125.5129.1171.3-66.9-173.9-179.700110.6R87 L88E26-R87 HydrophobicContact CB-CG 4.25Å; E26-R87 VanDerWaalsContact OE2-CD 3.32Å; E26-R87 WeakPolarHBondContact OE2-CD 3.31Å; E26-R87 IonicContact OE2-NH1 2.77Å; E26-L88 CarbonylContact C-O 3.56Å; E26-L88 VanDerWaalsContact CA-O 3.31Å; E26-L88 WeakPolarHBondContact CA-O 3.38Å
27M98.3Very high94.6Very high5 Ų553.1 Ų53.13%0.02531%0.314CS..EExtended strand (participates in β ladder)trans-120107.6177.9-74.3176.7-79.900109.5P14 V25 W45 R87 L88 L90 Y101 A120P14-M27 HydrophobicContact CB-CB 4.09Å; P14-M27 HydrophobicContact CB-CG 4.43Å; V25-M27 HydrophobicContact CG1-CE 4.23Å; V25-M27 HydrophobicContact CG1-CG 4.25Å; M27-W45 HydrophobicContact CB-CH2 3.76Å; M27-W45 HydrophobicContact CB-CZ2 4.15Å; M27-W45 HydrophobicContact CB-CZ3 4.46Å; M27-W45 VanDerWaalsContact O-CZ2 3.27Å; M27-W45 WeakPolarHBondContact O-CZ2 3.42Å; M27-R87 WeakPolarHBondContact O-CA 3.33Å; M27-L88 HydrophobicContact CB-CB 4.38Å; M27-L88 HydrophobicContact CE-CD2 3.75Å; M27-L88 HydrophobicContact CE-CG 4.28Å; M27-L88 PolarHBondContact N-O 2.77Å; M27-L88 PolarHBondContact O-N 3.21Å; M27-L90 HydrophobicContact CE-CD1 3.81Å; M27-Y101 HydrophobicContact CE-CD1 3.88Å; M27-Y101 HydrophobicContact CE-CD2 3.78Å; M27-Y101 HydrophobicContact CE-CE1 4.28Å; M27-Y101 HydrophobicContact CE-CE2 4.21Å; M27-Y101 HydrophobicContact CE-CG 3.59Å; M27-Y101 HydrophobicContact SD-CD2 4.2Å; M27-Y101 HydrophobicContact SD-CG 4.07Å; M27-A120 HydrophobicContact SD-CB 4.23Å
28P98.5Very high93.9Very high31 Ų3154.6 Ų54.620%0.20133%0.325CS..EExtended strand (participates in β ladder)trans-74.8145.3174.428.1-30.7000111.5E12 P14E12-P28 HydrophobicContact CB-CB 4.33Å; E12-P28 WeakPolarHBondContact OE2-CB 3.41Å; P14-P28 WeakPolarHBondContact CA-O 3.17Å; P14-P28 WeakPolarHBondContact CD-O 3.27Å
29C98.6Very high93.6Very high1 Ų152.4 Ų52.41%0.00731%0.307CS..EExtended strand (participates in β ladder)trans-143.1126.2163.8-1760000108.8E12 I43 W45 S85 H86 C103E12-C29 WeakPolarHBondContact O-CA 3.45Å; C29-I43 HydrophobicContact CB-CD1 4.07Å; C29-W45 HydrophobicContact CB-CH2 4.2Å; C29-W45 HydrophobicContact CB-CZ2 3.54Å; C29-S85 CarbonylContact O-C 3.53Å; C29-S85 WeakPolarHBondContact O-CA 3.45Å; C29-H86 PolarHBondContact N-O 3.44Å; C29-H86 PolarHBondContact O-N 2.79Å; C29-C103 HydrophobicContact CB-CB 3.69Å; C29-C103 WeakPolarHBondContact CB-SG 3.34Å; C29-C103 WeakPolarHBondContact SG-CB 3.43Å; C29-C103 CovalentContact SG-SG 2.03Å; C29-C103 PolarHBondContact SG-SG 2.86Å
30A98.3Very high93.4Very high5 Ų552.2 Ų52.24%0.04131%0.306CS..EExtended strand (participates in β ladder)trans-139.3144177.200000110.3F10 T11 E12 I84F10-A30 CarbonylContact C-O 3.59Å; F10-A30 VanDerWaalsContact CA-O 3.27Å; F10-A30 WeakPolarHBondContact CA-O 3.27Å; T11-A30 PolarHBondContact N-O 3.45Å; T11-A30 VanDerWaalsContact OG1-CB 3.3Å; T11-A30 WeakPolarHBondContact OG1-CB 3.41Å; T11-A30 PolarHBondContact OG1-O 2.96Å; E12-A30 HydrophobicContact CB-CB 3.78Å; E12-A30 HydrophobicContact CG-CB 4.02Å; E12-A30 PolarHBondContact N-O 3.1Å; E12-A30 PolarHBondContact O-N 2.95Å; A30-I84 CarbonylContact C-O 3.55Å; A30-I84 WeakPolarHBondContact CA-O 3.21Å
31F97.6Very high93.4Very high3 Ų351.7 Ų51.71%0.01330%0.3CS..EExtended strand (participates in β ladder)trans-138.8143.3-172.6-179.2-91.3000110.4A8 A9 F10 A33 L41 A83 I84 V105 F116A8-F31 HydrophobicContact CB-CE1 3.99Å; A8-F31 HydrophobicContact CB-CE2 4.19Å; A8-F31 HydrophobicContact CB-CZ 3.4Å; A9-F31 WeakPolarHBondContact O-CD2 3.32Å; F10-F31 HydrophobicContact CD1-CB 4.2Å; F10-F31 HydrophobicContact CD1-CD2 4.02Å; F10-F31 HydrophobicContact CD2-CD2 4.3Å; F10-F31 HydrophobicContact CE1-CB 4.39Å; F10-F31 HydrophobicContact CE1-CD2 4.07Å; F10-F31 HydrophobicContact CE2-CD2 4.36Å; F10-F31 HydrophobicContact CG-CD2 4.14Å; F10-F31 HydrophobicContact CZ-CD2 4.25Å; F31-A33 HydrophobicContact CE1-CB 4.23Å; F31-L41 HydrophobicContact CD1-CD1 4.18Å; F31-L41 HydrophobicContact CE1-CD2 4.35Å; F31-A83 CarbonylContact O-C 3.58Å; F31-A83 VanDerWaalsContact O-CA 3.29Å; F31-A83 WeakPolarHBondContact O-CA 3.29Å; F31-I84 HydrophobicContact CB-CG2 4.06Å; F31-I84 PolarHBondContact N-O 2.87Å; F31-I84 PolarHBondContact O-N 2.95Å; F31-V105 HydrophobicContact CB-CB 4.43Å; F31-V105 HydrophobicContact CB-CG1 4.19Å; F31-V105 HydrophobicContact CB-CG2 3.89Å; F31-V105 HydrophobicContact CD1-CB 4.43Å; F31-V105 HydrophobicContact CD1-CG1 3.62Å; F31-V105 HydrophobicContact CD2-CB 4.36Å; F31-V105 HydrophobicContact CD2-CG1 4.39Å; F31-V105 HydrophobicContact CD2-CG2 4.48Å; F31-V105 HydrophobicContact CE1-CG1 3.97Å; F31-V105 HydrophobicContact CG-CB 4.17Å; F31-V105 HydrophobicContact CG-CG1 3.82Å; F31-V105 HydrophobicContact CG-CG2 4.16Å; F31-V105 HydrophobicContact CZ-CG1 4.48Å; F31-F116 HydrophobicContact CD2-CB 4.35Å; F31-F116 HydrophobicContact CE1-CD2 4.48Å; F31-F116 HydrophobicContact CE2-CB 3.71Å; F31-F116 AromaticContact CE2-CD1 3.79Å; F31-F116 HydrophobicContact CE2-CD1 3.79Å; F31-F116 AromaticContact CE2-CD2 3.79Å; F31-F116 HydrophobicContact CE2-CD2 3.79Å; F31-F116 HydrophobicContact CE2-CE1 4.36Å; F31-F116 HydrophobicContact CE2-CE2 4.36Å; F31-F116 AromaticContact CE2-CG 3.47Å; F31-F116 HydrophobicContact CE2-CG 3.47Å; F31-F116 VanDerWaalsContact CE2-CG 3.47Å; F31-F116 HydrophobicContact CZ-CB 4.3Å; F31-F116 HydrophobicContact CZ-CD1 4.12Å; F31-F116 AromaticContact CZ-CD2 3.49Å; F31-F116 HydrophobicContact CZ-CD2 3.49Å; F31-F116 VanDerWaalsContact CZ-CD2 3.49Å; F31-F116 HydrophobicContact CZ-CE1 4.32Å; F31-F116 AromaticContact CZ-CE2 3.74Å; F31-F116 HydrophobicContact CZ-CE2 3.74Å; F31-F116 AromaticContact CZ-CG 3.7Å; F31-F116 HydrophobicContact CZ-CG 3.7Å; F31-F116 HydrophobicContact CZ-CZ 4.15Å
32K96Very high93.5Very high110 Ų11047.9 Ų47.948%0.47828%0.282SS..EExtended strand (participates in β ladder)trans-138.4128.1178.5-172.5175.7-178.4-178.40110.3A8 A9 T11 N82 A83A8-K32 WeakPolarHBondContact CA-O 3.27Å; A9-K32 PolarHBondContact N-O 2.94Å; A9-K32 PolarHBondContact O-N 3.47Å; T11-K32 HydrophobicContact CG2-CB 3.79Å; K32-N82 WeakPolarHBondContact CA-O 3.38Å; K32-A83 HydrophobicContact CB-CB 4.49Å; K32-A83 HydrophobicContact CG-CB 4.28Å
33A92.3Very high93.6Very high3 Ų345.7 Ų45.73%0.02526%0.259CS..EExtended strand (participates in β ladder)trans-100.8134.3169.800000110.1A8 F31 S35 M39 N82A8-A33 HydrophobicContact CB-CB 3.91Å; F31-A33 HydrophobicContact CE1-CB 4.23Å; A33-S35 PolarHBondContact O-N 3Å; A33-M39 HydrophobicContact CB-SD 3.51Å; A33-M39 VanDerWaalsContact CB-SD 3.51Å; A33-N82 PolarHBondContact N-O 2.81Å; A33-N82 WeakPolarHBondContact O-CB 3.2Å
34L88.5Confident93.6Very high94 Ų9442.1 Ų42.149%0.49224%0.242SC..EExtended strand (participates in β ladder)trans-89.986.1170.7-55.1-175.3000107.7E7E7-L34 HydrophobicContact CB-CB 4.24Å; E7-L34 HydrophobicContact CB-CD1 4.06Å; E7-L34 HydrophobicContact CB-CG 4.39Å; E7-L34 HydrophobicContact CG-CD1 3.95Å; E7-L34 WeakPolarHBondContact O-CB 3.36Å; E7-L34 PolarHBondContact O-N 2.76Å
35S84.4Confident93.7Very high39 Ų3936.5 Ų36.527%0.27321%0.213SC..  trans-130.8143.6173.4172.10000109.7A33 A37 N82A33-S35 PolarHBondContact O-N 3Å; S35-A37 VanDerWaalsContact C-N 3.34Å; S35-A37 PolarHBondContact OG-N 2.92Å; S35-A37 PolarHBondContact OG-O 3.05Å; S35-A37 VanDerWaalsContact OG-O 3.1Å; S35-N82 WeakPolarHBondContact CB-ND2 3.39Å; S35-N82 PolarHBondContact O-ND2 2.82Å; S35-N82 VanDerWaalsContact O-ND2 3.15Å
36S81.9Confident93.7Very high125 Ų12538.6 Ų38.687%0.87422%0.22SC*.SBendtrans-80.7-17.8174.757.10000112.7
37A84.2Confident93.6Very high52 Ų5234.3 Ų34.343%0.4320%0.198SC..SBendtrans-96.7144.6174.400000109.9S35 M39 N82S35-A37 VanDerWaalsContact C-N 3.34Å; S35-A37 PolarHBondContact OG-N 2.92Å; S35-A37 PolarHBondContact OG-O 3.05Å; S35-A37 VanDerWaalsContact OG-O 3.1Å; A37-M39 PolarHBondContact O-N 3.31Å; A37-N82 PolarHBondContact O-ND2 2.79Å
38P81.7Confident93.4Very high89 Ų8935.1 Ų35.158%0.57820%0.203SC*.PPolyproline II helixtrans-63.2130.6172.527-32.6000109.8
39M89.8Confident93Very high27 Ų2738.7 Ų38.713%0.13322%0.215CC..PPolyproline II helixtrans-98.6168.8175.1-60.5-177.386.300110.4A33 A37 L41 G81 D107A33-M39 HydrophobicContact CB-SD 3.51Å; A33-M39 VanDerWaalsContact CB-SD 3.51Å; A37-M39 PolarHBondContact O-N 3.31Å; M39-L41 HydrophobicContact CB-CD2 4.28Å; M39-L41 HydrophobicContact CB-CG 4.3Å; M39-G81 PolarHBondContact O-N 2.93Å; M39-D107 HydrophobicContact CE-CB 4.11Å; M39-D107 WeakPolarHBondContact CE-OD2 3.44Å
40S93.7Very high92.1Very high12 Ų1242.6 Ų42.68%0.08424%0.235CC..EExtended strand (participates in β ladder)trans-117.578.6175.4178.30000109.9V79 D107 L108S40-V79 CarbonylContact C-O 3.51Å; S40-D107 PolarHBondContact N-OD1 3Å; S40-D107 VanDerWaalsContact N-OD1 3.13Å; S40-L108 WeakPolarHBondContact O-CB 3.49Å; S40-L108 WeakPolarHBondContact O-CG 3.45Å; S40-L108 PolarHBondContact O-N 2.84Å
41L95.6Very high90.8Very high3 Ų346.4 Ų46.42%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-78.4139.3-174.1-59.3175.8000112.4F31 M39 R78 V79 G81 I84 V105 S106 D107F31-L41 HydrophobicContact CD1-CD1 4.18Å; F31-L41 HydrophobicContact CE1-CD2 4.35Å; M39-L41 HydrophobicContact CB-CD2 4.28Å; M39-L41 HydrophobicContact CB-CG 4.3Å; L41-R78 WeakPolarHBondContact O-CA 3.4Å; L41-V79 HydrophobicContact CB-CG1 4.18Å; L41-V79 PolarHBondContact N-O 2.96Å; L41-V79 PolarHBondContact O-N 3.05Å; L41-G81 WeakPolarHBondContact CD1-O 3.47Å; L41-I84 HydrophobicContact CB-CB 4.29Å; L41-I84 HydrophobicContact CB-CD1 4.26Å; L41-I84 HydrophobicContact CB-CG2 4.13Å; L41-I84 HydrophobicContact CD1-CB 4.33Å; L41-I84 HydrophobicContact CD1-CG2 4.07Å; L41-V105 HydrophobicContact CD2-CG1 4.5Å; L41-S106 WeakPolarHBondContact CA-O 3.36Å; L41-D107 HydrophobicContact CD2-CB 4.29Å
42E97.3Very high89.1Confident9 Ų948.7 Ų48.74%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-119130.4166.7-177.5175.770.600109.8Q44 T76 V77 R78 V105 S106 L108E42-Q44 HydrophobicContact CG-CG 3.98Å; E42-Q44 PolarHBondContact OE1-NE2 2.92Å; E42-T76 PolarHBondContact OE2-OG1 2.99Å; E42-V77 CarbonylContact C-O 3.58Å; E42-V77 WeakPolarHBondContact CA-O 3.01Å; E42-R78 HydrophobicContact CB-CG 4.03Å; E42-R78 HydrophobicContact CG-CG 3.85Å; E42-R78 IonicContact OE1-NH2 2.65Å; E42-R78 IonicContact OE2-CZ 2.68Å; E42-R78 IonicContact OE2-NE 3.14Å; E42-R78 PolarHBondContact OE2-NE 2.93Å; E42-R78 IonicContact OE2-NH2 3.03Å; E42-R78 PolarHBondContact OE2-NH2 2.98Å; E42-V105 CarbonylContact O-C 3.6Å; E42-V105 VanDerWaalsContact O-CA 3.25Å; E42-V105 WeakPolarHBondContact O-CA 3.49Å; E42-S106 PolarHBondContact N-O 3.32Å; E42-S106 PolarHBondContact O-N 2.89Å; E42-L108 HydrophobicContact CB-CD1 4.25Å; E42-L108 HydrophobicContact CB-CD2 3.99Å; E42-L108 HydrophobicContact CB-CG 4.07Å
43I97.9Very high87.1Confident0 Ų050 Ų500%030%0.299CS..EExtended strand (participates in β ladder)trans-112.2131.2171.5-172.8163.8000109.3C29 T76 V77 I84 H86 C103 R104 V105C29-I43 HydrophobicContact CB-CD1 4.07Å; I43-T76 CarbonylContact O-C 3.52Å; I43-T76 WeakPolarHBondContact O-CA 3.27Å; I43-V77 HydrophobicContact CG2-CB 3.71Å; I43-V77 HydrophobicContact CG2-CG1 4.44Å; I43-V77 PolarHBondContact N-O 3.09Å; I43-V77 PolarHBondContact O-N 3.32Å; I43-I84 HydrophobicContact CB-CD1 3.78Å; I43-I84 HydrophobicContact CB-CG1 4.16Å; I43-I84 HydrophobicContact CB-CG2 4.23Å; I43-I84 HydrophobicContact CG2-CD1 3.39Å; I43-I84 HydrophobicContact CG2-CG1 3.68Å; I43-H86 HydrophobicContact CD1-CB 3.79Å; I43-H86 HydrophobicContact CG1-CB 4.16Å; I43-H86 HydrophobicContact CG2-CB 3.64Å; I43-C103 VanDerWaalsContact CD1-SG 3.57Å; I43-R104 CarbonylContact C-O 3.56Å; I43-R104 WeakPolarHBondContact CA-O 3.46Å; I43-V105 HydrophobicContact CB-CG2 4.09Å; I43-V105 HydrophobicContact CD1-CG2 3.97Å; I43-V105 HydrophobicContact CG1-CG2 3.79Å
44Q98.2Very high85.3Confident28 Ų2858.3 Ų58.313%0.13133%0.334CS..EExtended strand (participates in β ladder)trans-127139.7-177.9-54.1-177.9-12.700110.6E42 S75 C103 R104E42-Q44 HydrophobicContact CG-CG 3.98Å; E42-Q44 PolarHBondContact OE1-NE2 2.92Å; Q44-S75 WeakPolarHBondContact CA-O 3.35Å; Q44-C103 WeakPolarHBondContact O-CA 3.28Å; Q44-R104 HydrophobicContact CB-CB 4.47Å; Q44-R104 PolarHBondContact N-O 3.41Å; Q44-R104 PolarHBondContact O-N 2.84Å
45W98.3Very high83.3Confident0 Ų063.7 Ų63.70%036%0.357CS..EExtended strand (participates in β ladder)trans-102.3135.2165.9-78.8100.2000110.7P14 M27 C29 I74 S75 H86 L88 E102 C103P14-W45 HydrophobicContact CB-CH2 3.72Å; P14-W45 HydrophobicContact CB-CZ3 4.47Å; P14-W45 HydrophobicContact CG-CH2 3.75Å; P14-W45 HydrophobicContact CG-CZ3 4.3Å; M27-W45 HydrophobicContact CB-CH2 3.76Å; M27-W45 HydrophobicContact CB-CZ2 4.15Å; M27-W45 HydrophobicContact CB-CZ3 4.46Å; M27-W45 VanDerWaalsContact O-CZ2 3.27Å; M27-W45 WeakPolarHBondContact O-CZ2 3.42Å; C29-W45 HydrophobicContact CB-CH2 4.2Å; C29-W45 HydrophobicContact CB-CZ2 3.54Å; W45-I74 HydrophobicContact CB-CB 4.31Å; W45-I74 HydrophobicContact CB-CD1 4.41Å; W45-I74 PolarHBondContact O-N 2.87Å; W45-S75 WeakPolarHBondContact CB-OG 3.43Å; W45-S75 PolarHBondContact N-O 2.99Å; W45-S75 PolarHBondContact O-N 2.78Å; W45-H86 AromaticContact CD1-CE1 3.8Å; W45-H86 AromaticContact CD1-CG 3.95Å; W45-H86 AromaticContact CD1-ND1 3.36Å; W45-H86 AromaticContact NE1-CG 3.92Å; W45-H86 AromaticContact NE1-ND1 3.79Å; W45-L88 HydrophobicContact CB-CD2 4.37Å; W45-L88 HydrophobicContact CD2-CB 3.76Å; W45-L88 HydrophobicContact CD2-CD2 3.92Å; W45-L88 HydrophobicContact CD2-CG 4.43Å; W45-L88 HydrophobicContact CE3-CB 4.34Å; W45-L88 HydrophobicContact CE3-CD2 3.84Å; W45-L88 HydrophobicContact CG-CB 3.98Å; W45-L88 HydrophobicContact CG-CD2 4.17Å; W45-L88 HydrophobicContact CZ2-CB 4.01Å; W45-L88 HydrophobicContact CZ3-CD2 4.39Å; W45-E102 CarbonylContact C-O 3.57Å; W45-E102 WeakPolarHBondContact CA-O 3.47Å; W45-C103 HydrophobicContact CD2-CB 4.38Å; W45-C103 HydrophobicContact CE3-CB 4.22Å; W45-C103 HydrophobicContact CH2-CB 4.02Å; W45-C103 HydrophobicContact CZ2-CB 4.17Å; W45-C103 HydrophobicContact CZ3-CB 4.04Å
46W97.8Very high81.8Confident50 Ų5064 Ų6419%0.18937%0.366CS..EExtended strand (participates in β ladder)trans-125.5136.7178.1-70.181.6000110.5A71 T72 K73 Y101 E102W46-A71 HydrophobicContact CE3-CB 3.8Å; W46-A71 HydrophobicContact CZ3-CB 4.25Å; W46-A71 WeakPolarHBondContact CZ3-O 3.38Å; W46-T72 CarbonylContact C-O 3.54Å; W46-T72 WeakPolarHBondContact CA-O 3.36Å; W46-T72 VanDerWaalsContact CE3-C 3.49Å; W46-K73 HydrophobicContact CD2-CB 3.97Å; W46-K73 HydrophobicContact CD2-CG 4.43Å; W46-K73 HydrophobicContact CE3-CB 3.91Å; W46-K73 VanDerWaalsContact CE3-N 3.26Å; W46-K73 HydrophobicContact CH2-CB 3.76Å; W46-K73 HydrophobicContact CH2-CD 4.43Å; W46-K73 HydrophobicContact CH2-CG 4.49Å; W46-K73 HydrophobicContact CZ2-CB 3.79Å; W46-K73 HydrophobicContact CZ2-CD 3.87Å; W46-K73 HydrophobicContact CZ2-CG 4.05Å; W46-K73 HydrophobicContact CZ3-CB 3.81Å; W46-Y101 CarbonylContact O-C 3.55Å; W46-Y101 WeakPolarHBondContact O-CA 3.37Å; W46-E102 HydrophobicContact CB-CB 4.34Å; W46-E102 PolarHBondContact N-O 3.16Å; W46-E102 PolarHBondContact O-N 2.98Å
47Y96.9Very high80.2Confident34 Ų3464.8 Ų64.813%0.13337%0.368CS..EExtended strand (participates in β ladder)trans-101.3127.8172.3176.8-125.7000109.3K49 A71 T72 E96 G98 Y101Y47-K49 HydrophobicContact CE1-CB 4.08Å; Y47-A71 CarbonylContact O-C 3.47Å; Y47-A71 WeakPolarHBondContact O-CA 3.5Å; Y47-T72 PolarHBondContact N-O 2.84Å; Y47-T72 PolarHBondContact O-N 2.03Å; Y47-E96 PolarHBondContact OH-O 2.68Å; Y47-G98 PolarHBondContact OH-O 2.84Å; Y47-Y101 HydrophobicContact CD2-CD1 4.17Å; Y47-Y101 HydrophobicContact CD2-CD2 4.4Å; Y47-Y101 AromaticContact CD2-CE1 3.7Å; Y47-Y101 HydrophobicContact CD2-CE1 3.7Å; Y47-Y101 AromaticContact CD2-CE2 3.93Å; Y47-Y101 HydrophobicContact CD2-CE2 3.93Å; Y47-Y101 AromaticContact CD2-CZ 3.58Å; Y47-Y101 HydrophobicContact CE2-CE1 4.45Å; Y47-Y101 HydrophobicContact CE2-CE2 4.01Å; Y47-Y101 AromaticContact CE2-CZ 3.87Å; Y47-Y101 HydrophobicContact CG-CE1 4.33Å
48I94.7Very high78.7Confident22 Ų2268.6 Ų68.611%0.11338%0.382CS..EExtended strand (participates in β ladder)trans-119106.8177.6-56.4166.2000107L50 R69 A71 V100 E102I48-L50 PolarHBondContact O-N 3.29Å; I48-R69 HydrophobicContact CG2-CB 3.78Å; I48-R69 HydrophobicContact CG2-CG 4.46Å; I48-A71 HydrophobicContact CG1-CB 4.06Å; I48-V100 HydrophobicContact CB-CB 4.24Å; I48-V100 HydrophobicContact CD1-CG1 4.4Å; I48-V100 PolarHBondContact N-O 3.06Å; I48-V100 PolarHBondContact O-N 2.82Å; I48-E102 HydrophobicContact CD1-CB 4.27Å
49K89.8Confident77.6Confident107 Ų10770.5 Ų70.547%0.46538%0.383SS..EExtended strand (participates in β ladder)trans-66.1125.6-179.7-170.2169.9-173.4170.60110.2Y47 N51Y47-K49 HydrophobicContact CE1-CB 4.08Å; K49-N51 PolarHBondContact O-N 2.91Å
50L80.4Confident75.8Confident83 Ų8377.1 Ų77.144%0.43542%0.418SS..  trans-75.2114.9166.6-109.274.3000108.2I48 G52 V100I48-L50 PolarHBondContact O-N 3.29Å; L50-G52 PolarHBondContact O-N 3.36Å; L50-G52 VanDerWaalsContact O-N 3.09Å; L50-V100 HydrophobicContact CD1-CB 4.42Å; L50-V100 HydrophobicContact CD1-CG2 3.57Å
51N69.8Low73.7Confident85 Ų8584.7 Ų84.746%0.45545%0.452SS..  trans-65.5111.4165.1-66.1-37.1000107K49K49-N51 PolarHBondContact O-N 2.91Å
52G61.4Low71.5Confident50 Ų5089.4 Ų89.452%0.51548%0.477SS..  trans-59.6167.9174.200000111.7L50 K54L50-G52 PolarHBondContact O-N 3.36Å; L50-G52 VanDerWaalsContact O-N 3.09Å; G52-K54 PolarHBondContact O-N 2.75Å
53P54.2Low69Low138 Ų13899.1 Ų99.190%0.89651%0.513SS*.  trans-53.8112.1171.5-19.230.7000108.5E55P53-E55 VanDerWaalsContact C-N 3.33Å; P53-E55 PolarHBondContact O-N 3.46Å
54K54.3Low66.6Low177 Ų177103.8 Ų103.877%0.7755%0.552SS**  trans-69.494.3173.1-85.6174.2172.5162.70107.3G52 G56G52-K54 PolarHBondContact O-N 2.75Å; K54-G56 VanDerWaalsContact C-N 3.28Å; K54-G56 PolarHBondContact O-N 2.72Å
55E47.2Very low64.2Low208 Ų208110.9 Ų110.997%0.97258%0.582SS**  trans-77.185.7168-151.9172.6175.600107.6P53P53-E55 VanDerWaalsContact C-N 3.33Å; P53-E55 PolarHBondContact O-N 3.46Å
56G52Low61.6Low44 Ų44114.5 Ų114.545%0.45462%0.619SS.*SBendtrans-168.7134.7179.100000111.9K54 D58K54-G56 VanDerWaalsContact C-N 3.28Å; K54-G56 PolarHBondContact O-N 2.72Å; G56-D58 PolarHBondContact O-N 2.86Å
57P48.8Very low59.2Low142 Ų142115.7 Ų115.792%0.92264%0.635SS**SBendtrans-7519.3-172.530-34.3000115.4E59P57-E59 PolarHBondContact O-N 3.08Å; P57-E59 VanDerWaalsContact O-N 3.16Å
58D52.1Low57.2Low133 Ų133121.8 Ų121.871%0.71167%0.67SS**  trans-89.747177.4-164.139.7000111.6G56G56-D58 PolarHBondContact O-N 2.86Å
59E59.7Low56Low129 Ų129127.8 Ų127.860%0.60369%0.691SS**  trans-106.872.2179.8-166.1-158.3132.300111.2P57 R63P57-E59 PolarHBondContact O-N 3.08Å; P57-E59 VanDerWaalsContact O-N 3.16Å; E59-R63 IonicContact OE1-NH1 3.8Å; E59-R63 PolarHBondContact OE1-NH1 3.28Å
60L50.9Low55.6Low165 Ų165129.6 Ų129.686%0.86470%0.701SS**SBendtrans-147.7-10.8157-110.5137.9000115.9
61Q49.9Very low56.1Low171 Ų171127.5 Ų127.580%0.79970%0.696SS**SBendtrans-96.1-20.6177.9-157.686.519.100113.9
62N49.2Very low57.3Low103 Ų103126.8 Ų126.855%0.55169%0.694SS**SBendtrans-102.55.5-169-73.4-54.4000115.5A64 K65N62-A64 PolarHBondContact O-N 2.96Å; N62-A64 VanDerWaalsContact O-N 3.13Å; N62-K65 PolarHBondContact O-N 2.94Å
63R45.6Very low58.9Low213 Ų213128.3 Ų128.380%0.80469%0.687SS**THydrogen-bonded Turntrans-71.2-5.2179.7-160.3159.8-173.1136.6-2.3114E59E59-R63 IonicContact OE1-NH1 3.8Å; E59-R63 PolarHBondContact OE1-NH1 3.28Å
64A47.7Very low60.9Low97 Ų97125 Ų12580%0.80266%0.661SS**THydrogen-bonded Turntrans-108.43.6-18000000115N62N62-A64 PolarHBondContact O-N 2.96Å; N62-A64 VanDerWaalsContact O-N 3.13Å
65K47.7Very low63Low177 Ų177118 Ų11877%0.7763%0.634SS**SBendtrans-132.198.4171-91.8175.8173.5177.60108.2N62 S67N62-K65 PolarHBondContact O-N 2.94Å; K65-S67 PolarHBondContact O-N 2.79Å
66G42.9Very low65.4Low76 Ų76111.2 Ų111.278%0.78461%0.607SS**  trans-42120.5169.100000108.4L68G66-L68 PolarHBondContact O-N 2.97Å
67S48.6Very low67.6Low75 Ų75111.8 Ų111.852%0.52460%0.601SS.*  trans-42.9110.6-17256.70000109.7K65 R69K65-S67 PolarHBondContact O-N 2.79Å; S67-R69 VanDerWaalsContact C-N 3.32Å; S67-R69 PolarHBondContact O-N 3.45Å
68L53.4Low69.9Low163 Ų163112.7 Ų112.785%0.85359%0.586SS**  trans-62.1100176.4-179.566.8000106.3G66 E70G66-L68 PolarHBondContact O-N 2.97Å; L68-E70 PolarHBondContact O-N 2.79Å; L68-E70 VanDerWaalsContact O-N 3.13Å
69R70.8Confident72Confident147 Ų147109 Ų10956%0.55557%0.568SS**  trans-69.8107.5173.4-65-169.9177-149.70.3105.6I48 S67 A71I48-R69 HydrophobicContact CG2-CB 3.78Å; I48-R69 HydrophobicContact CG2-CG 4.46Å; S67-R69 VanDerWaalsContact C-N 3.32Å; S67-R69 PolarHBondContact O-N 3.45Å; R69-A71 PolarHBondContact O-N 3.21Å
70E80.3Confident73.7Confident146 Ų146110.5 Ų110.568%0.68258%0.575SS**  trans-68.2117176.6-171.9173.7-178.800108.1L68L68-E70 PolarHBondContact O-N 2.79Å; L68-E70 VanDerWaalsContact O-N 3.13Å
71A91.1Very high75.8Confident39 Ų39103.4 Ų103.432%0.32254%0.542SS..EExtended strand (participates in β ladder)trans-97.1121.6173.300000108.1W46 Y47 I48 R69W46-A71 HydrophobicContact CE3-CB 3.8Å; W46-A71 HydrophobicContact CZ3-CB 4.25Å; W46-A71 WeakPolarHBondContact CZ3-O 3.38Å; Y47-A71 CarbonylContact O-C 3.47Å; Y47-A71 WeakPolarHBondContact O-CA 3.5Å; I48-A71 HydrophobicContact CG1-CB 4.06Å; R69-A71 PolarHBondContact O-N 3.21Å
72T94.8Very high77.9Confident69 Ų6997.3 Ų97.342%0.42352%0.515SS..EExtended strand (participates in β ladder)trans-108.7120.9179.8-51.40000109.5W46 Y47 I74W46-T72 CarbonylContact C-O 3.54Å; W46-T72 WeakPolarHBondContact CA-O 3.36Å; W46-T72 VanDerWaalsContact CE3-C 3.49Å; Y47-T72 PolarHBondContact N-O 2.84Å; Y47-T72 PolarHBondContact O-N 2.03Å; T72-I74 WeakPolarHBondContact O-CG1 3.3Å; T72-I74 PolarHBondContact O-N 2.8Å
73K96.5Very high80.1Confident83 Ų8395.1 Ų95.136%0.36151%0.511SS..EExtended strand (participates in β ladder)trans-68.8120.3173.4-172.5170173.5172.50109.4W46 T76W46-K73 HydrophobicContact CD2-CB 3.97Å; W46-K73 HydrophobicContact CD2-CG 4.43Å; W46-K73 HydrophobicContact CE3-CB 3.91Å; W46-K73 VanDerWaalsContact CE3-N 3.26Å; W46-K73 HydrophobicContact CH2-CB 3.76Å; W46-K73 HydrophobicContact CH2-CD 4.43Å; W46-K73 HydrophobicContact CH2-CG 4.49Å; W46-K73 HydrophobicContact CZ2-CB 3.79Å; W46-K73 HydrophobicContact CZ2-CD 3.87Å; W46-K73 HydrophobicContact CZ2-CG 4.05Å; W46-K73 HydrophobicContact CZ3-CB 3.81Å; K73-T76 WeakPolarHBondContact CE-OG1 3.03Å; K73-T76 PolarHBondContact NZ-OG1 3.32Å
74I96.3Very high82.6Confident69 Ų6985.5 Ų85.535%0.35448%0.476SS..EExtended strand (participates in β ladder)trans-96.5-42.8-175.1-41.8173.3000110.7W45 T72 L88 Y101W45-I74 HydrophobicContact CB-CB 4.31Å; W45-I74 HydrophobicContact CB-CD1 4.41Å; W45-I74 PolarHBondContact O-N 2.87Å; T72-I74 WeakPolarHBondContact O-CG1 3.3Å; T72-I74 PolarHBondContact O-N 2.8Å; I74-L88 HydrophobicContact CD1-CD2 3.96Å; I74-L88 HydrophobicContact CG2-CD1 4.16Å; I74-Y101 HydrophobicContact CD1-CD1 3.66Å; I74-Y101 HydrophobicContact CD1-CE1 3.71Å
75S97.6Very high85Confident28 Ų2885 Ų8520%0.19647%0.466CS..EExtended strand (participates in β ladder)trans-156.9158.3-175.467.30000112Q44 W45 H86Q44-S75 WeakPolarHBondContact CA-O 3.35Å; W45-S75 WeakPolarHBondContact CB-OG 3.43Å; W45-S75 PolarHBondContact N-O 2.99Å; W45-S75 PolarHBondContact O-N 2.78Å; S75-H86 PolarHBondContact OG-CE1 3.3Å
76T97.6Very high87.4Confident66 Ų6678.6 Ų78.641%0.40544%0.439SS..EExtended strand (participates in β ladder)trans-149135.3-175-155.10000109.7E42 I43 K73E42-T76 PolarHBondContact OE2-OG1 2.99Å; I43-T76 CarbonylContact O-C 3.52Å; I43-T76 WeakPolarHBondContact O-CA 3.27Å; K73-T76 WeakPolarHBondContact CE-OG1 3.03Å; K73-T76 PolarHBondContact NZ-OG1 3.32Å
77V98Very high90Very high56 Ų5680.3 Ų80.334%0.33942%0.422SS..EExtended strand (participates in β ladder)trans-135.9142.1175.1175.60000108.2E42 I43 I84E42-V77 CarbonylContact C-O 3.58Å; E42-V77 WeakPolarHBondContact CA-O 3.01Å; I43-V77 HydrophobicContact CG2-CB 3.71Å; I43-V77 HydrophobicContact CG2-CG1 4.44Å; I43-V77 PolarHBondContact N-O 3.09Å; I43-V77 PolarHBondContact O-N 3.32Å; V77-I84 HydrophobicContact CG1-CD1 4.48Å
78R97.3Very high92.4Very high161 Ų16177.3 Ų77.361%0.60840%0.4SS*.EExtended strand (participates in β ladder)trans-125.6144.3178.8-65.2178.5178.9-165.1-9.4110.1L41 E42 L108L41-R78 WeakPolarHBondContact O-CA 3.4Å; E42-R78 HydrophobicContact CB-CG 4.03Å; E42-R78 HydrophobicContact CG-CG 3.85Å; E42-R78 IonicContact OE1-NH2 2.65Å; E42-R78 IonicContact OE2-CZ 2.68Å; E42-R78 IonicContact OE2-NE 3.14Å; E42-R78 PolarHBondContact OE2-NE 2.93Å; E42-R78 IonicContact OE2-NH2 3.03Å; E42-R78 PolarHBondContact OE2-NH2 2.98Å; R78-L108 HydrophobicContact CG-CD1 4.16Å
79V96.9Very high94.5Very high55 Ų5573.1 Ų73.133%0.33338%0.384SS..EExtended strand (participates in β ladder)trans-142.2147.2175.174.60000110.4S40 L41 I84S40-V79 CarbonylContact C-O 3.51Å; L41-V79 HydrophobicContact CB-CG1 4.18Å; L41-V79 PolarHBondContact N-O 2.96Å; L41-V79 PolarHBondContact O-N 3.05Å; V79-I84 HydrophobicContact CB-CD1 4.39Å; V79-I84 HydrophobicContact CG1-CB 3.89Å; V79-I84 HydrophobicContact CG1-CD1 3.85Å; V79-I84 HydrophobicContact CG1-CG1 3.91Å
80Q95.2Very high95.8Very high161 Ų16167.6 Ų67.675%0.75237%0.365SS*.EExtended strand (participates in β ladder)trans-91.2107.2162.9-67.1-176.223.600107.8
81G93.7Very high96.6Very high16 Ų1665 Ų6517%0.16536%0.363CS..BIsolated β-bridgetrans157.9177.5-175.100000112.4M39 L41M39-G81 PolarHBondContact O-N 2.93Å; L41-G81 WeakPolarHBondContact CD1-O 3.47Å
82N94.3Very high96.9Very high44 Ų4470.6 Ų70.624%0.23538%0.381CS..SBendtrans-1013-171.1-59.274000112.9K32 A33 S35 A37K32-N82 WeakPolarHBondContact CA-O 3.38Å; A33-N82 PolarHBondContact N-O 2.81Å; A33-N82 WeakPolarHBondContact O-CB 3.2Å; S35-N82 WeakPolarHBondContact CB-ND2 3.39Å; S35-N82 PolarHBondContact O-ND2 2.82Å; S35-N82 VanDerWaalsContact O-ND2 3.15Å; A37-N82 PolarHBondContact O-ND2 2.79Å
83A95.8Very high96.9Very high56 Ų5667.4 Ų67.446%0.46336%0.361SS..EExtended strand (participates in β ladder)trans-141.7142.3177.700000109.8F31 K32F31-A83 CarbonylContact O-C 3.58Å; F31-A83 VanDerWaalsContact O-CA 3.29Å; F31-A83 WeakPolarHBondContact O-CA 3.29Å; K32-A83 HydrophobicContact CB-CB 4.49Å; K32-A83 HydrophobicContact CG-CB 4.28Å
84I97.6Very high96.9Very high12 Ų1269.5 Ų69.56%0.06237%0.37CS..EExtended strand (participates in β ladder)trans-144.3143.8179.6-165.2168.8000109.7A30 F31 L41 I43 V77 V79 V105A30-I84 CarbonylContact C-O 3.55Å; A30-I84 WeakPolarHBondContact CA-O 3.21Å; F31-I84 HydrophobicContact CB-CG2 4.06Å; F31-I84 PolarHBondContact N-O 2.87Å; F31-I84 PolarHBondContact O-N 2.95Å; L41-I84 HydrophobicContact CB-CB 4.29Å; L41-I84 HydrophobicContact CB-CD1 4.26Å; L41-I84 HydrophobicContact CB-CG2 4.13Å; L41-I84 HydrophobicContact CD1-CB 4.33Å; L41-I84 HydrophobicContact CD1-CG2 4.07Å; I43-I84 HydrophobicContact CB-CD1 3.78Å; I43-I84 HydrophobicContact CB-CG1 4.16Å; I43-I84 HydrophobicContact CB-CG2 4.23Å; I43-I84 HydrophobicContact CG2-CD1 3.39Å; I43-I84 HydrophobicContact CG2-CG1 3.68Å; V77-I84 HydrophobicContact CG1-CD1 4.48Å; V79-I84 HydrophobicContact CB-CD1 4.39Å; V79-I84 HydrophobicContact CG1-CB 3.89Å; V79-I84 HydrophobicContact CG1-CD1 3.85Å; V79-I84 HydrophobicContact CG1-CG1 3.91Å; I84-V105 HydrophobicContact CG2-CG1 4.11Å
85S98.1Very high96.7Very high87 Ų8772.7 Ų72.761%0.60838%0.381SS*.EExtended strand (participates in β ladder)trans-142.3139.4177.862.30000110.6C29C29-S85 CarbonylContact O-C 3.53Å; C29-S85 WeakPolarHBondContact O-CA 3.45Å
86H98.6Very high96.5Very high41 Ų4176.7 Ų76.719%0.1940%0.397CS..EExtended strand (participates in β ladder)trans-148.6131178.4-170.8-166000110.9C29 I43 W45 S75C29-H86 PolarHBondContact N-O 3.44Å; C29-H86 PolarHBondContact O-N 2.79Å; I43-H86 HydrophobicContact CD1-CB 3.79Å; I43-H86 HydrophobicContact CG1-CB 4.16Å; I43-H86 HydrophobicContact CG2-CB 3.64Å; W45-H86 AromaticContact CD1-CE1 3.8Å; W45-H86 AromaticContact CD1-CG 3.95Å; W45-H86 AromaticContact CD1-ND1 3.36Å; W45-H86 AromaticContact NE1-CG 3.92Å; W45-H86 AromaticContact NE1-ND1 3.79Å; S75-H86 PolarHBondContact OG-CE1 3.3Å
87R98.5Very high96.3Very high113 Ų11376.1 Ų76.143%0.42639%0.391SS..EExtended strand (participates in β ladder)trans-108.7115.3179.5-174.8177.2-59.8-80-11.7109.7E12 E26 M27E12-R87 IonicContact OE2-NH2 3.87Å; E26-R87 HydrophobicContact CB-CG 4.25Å; E26-R87 VanDerWaalsContact OE2-CD 3.32Å; E26-R87 WeakPolarHBondContact OE2-CD 3.31Å; E26-R87 IonicContact OE2-NH1 2.77Å; M27-R87 WeakPolarHBondContact O-CA 3.33Å
88L98.4Very high96.2Very high11 Ų1174.4 Ų74.46%0.05839%0.385CS..EExtended strand (participates in β ladder)trans-75.8126.7170.9177.560.1000108.6E26 M27 W45 I74 L90 Y101E26-L88 CarbonylContact C-O 3.56Å; E26-L88 VanDerWaalsContact CA-O 3.31Å; E26-L88 WeakPolarHBondContact CA-O 3.38Å; M27-L88 HydrophobicContact CB-CB 4.38Å; M27-L88 HydrophobicContact CE-CD2 3.75Å; M27-L88 HydrophobicContact CE-CG 4.28Å; M27-L88 PolarHBondContact N-O 2.77Å; M27-L88 PolarHBondContact O-N 3.21Å; W45-L88 HydrophobicContact CB-CD2 4.37Å; W45-L88 HydrophobicContact CD2-CB 3.76Å; W45-L88 HydrophobicContact CD2-CD2 3.92Å; W45-L88 HydrophobicContact CD2-CG 4.43Å; W45-L88 HydrophobicContact CE3-CB 4.34Å; W45-L88 HydrophobicContact CE3-CD2 3.84Å; W45-L88 HydrophobicContact CG-CB 3.98Å; W45-L88 HydrophobicContact CG-CD2 4.17Å; W45-L88 HydrophobicContact CZ2-CB 4.01Å; W45-L88 HydrophobicContact CZ3-CD2 4.39Å; I74-L88 HydrophobicContact CD1-CD2 3.96Å; I74-L88 HydrophobicContact CG2-CD1 4.16Å; L88-L90 HydrophobicContact CD1-CD2 4.13Å; L88-L90 HydrophobicContact CG-CD2 4.26Å; L88-L90 HydrophobicContact CG-CG 4.32Å; L88-Y101 HydrophobicContact CD2-CD1 3.38Å; L88-Y101 HydrophobicContact CD2-CE1 3.84Å; L88-Y101 HydrophobicContact CD2-CG 4.23Å
89S98.1Very high96.1Very high75 Ų7566.9 Ų66.952%0.52436%0.357SS..EExtended strand (participates in β ladder)trans-120.1119.7178-53.30000109V25V25-S89 CarbonylContact O-C 3.56Å; V25-S89 WeakPolarHBondContact O-CA 3.34Å
90L97.6Very high96.1Very high31 Ų3165.2 Ų65.216%0.16235%0.347CS..EExtended strand (participates in β ladder)trans-111.4131.9176.9-55.2171.5000108N24 V25 M27 L88 V93 Y101 L122N24-L90 CarbonylContact C-O 3.59Å; N24-L90 WeakPolarHBondContact CA-O 3.32Å; V25-L90 HydrophobicContact CB-CB 4.38Å; V25-L90 PolarHBondContact N-O 2.99Å; V25-L90 PolarHBondContact O-N 2.81Å; M27-L90 HydrophobicContact CE-CD1 3.81Å; L88-L90 HydrophobicContact CD1-CD2 4.13Å; L88-L90 HydrophobicContact CG-CD2 4.26Å; L88-L90 HydrophobicContact CG-CG 4.32Å; L90-V93 HydrophobicContact CB-CG1 3.78Å; L90-Y101 HydrophobicContact CD1-CE1 3.76Å; L90-Y101 HydrophobicContact CD1-CE2 4.17Å; L90-Y101 VanDerWaalsContact CD1-CZ 3.48Å; L90-Y101 VanDerWaalsContact CD1-OH 3.27Å; L90-Y101 WeakPolarHBondContact CD1-OH 3.4Å; L90-Y101 HydrophobicContact CD2-CE1 4.4Å; L90-L122 HydrophobicContact CD1-CD2 3.76Å
91S97.4Very high96.2Very high92 Ų9257.8 Ų57.864%0.64331%0.312SS*.  trans-113.9139.2-178.464.70000111.4N24 V93N24-S91 VanDerWaalsContact OD1-CA 3.22Å; N24-S91 WeakPolarHBondContact OD1-CA 3.4Å; S91-V93 PolarHBondContact O-N 2.91Å
92K96.3Very high96.4Very high157 Ų15758.3 Ų58.368%0.68331%0.31SS*.SBendtrans50.455.5177.3-58.4179.5-177.7177.60112.1E23 N24E23-K92 WeakPolarHBondContact O-CA 3.47Å; E23-K92 PolarHBondContact O-N 3Å; E23-K92 VanDerWaalsContact O-N 3.1Å; N24-K92 PolarHBondContact OD1-N 3Å
93V96.6Very high96.6Very high1 Ų156.2 Ų56.21%0.00630%0.299CS..  trans-60144.7-173.8-61.70000111.8V19 E21 G22 E23 V25 L90 S91 D97 I124V19-V93 HydrophobicContact CG2-CG2 3.72Å; E21-V93 CarbonylContact C-O 3.53Å; E21-V93 WeakPolarHBondContact CA-O 3.44Å; G22-V93 PolarHBondContact N-O 3.42Å; E23-V93 WeakPolarHBondContact O-CG2 3.43Å; E23-V93 PolarHBondContact O-N 3.13Å; V25-V93 HydrophobicContact CG2-CG1 3.96Å; L90-V93 HydrophobicContact CB-CG1 3.78Å; S91-V93 PolarHBondContact O-N 2.91Å; V93-D97 WeakPolarHBondContact CA-OD2 3.32Å; V93-D97 HydrophobicContact CB-CB 4.39Å; V93-I124 HydrophobicContact CB-CD1 3.95Å; V93-I124 HydrophobicContact CG2-CD1 3.56Å
94K94.8Very high96.7Very high127 Ų12756.5 Ų56.555%0.55229%0.288SS*.  trans-114.2167.3177.7-56.7-179.7-178.5-1800110.3E96 D97 I124K94-E96 WeakPolarHBondContact CB-OE2 3.44Å; K94-E96 PolarHBondContact O-N 2.82Å; K94-D97 PolarHBondContact N-OD2 2.8Å; K94-D97 WeakPolarHBondContact O-CB 3.4Å; K94-D97 PolarHBondContact O-N 2.81Å; K94-I124 WeakPolarHBondContact O-CG1 3.07Å
95K93.2Very high96.7Very high137 Ų13755.9 Ų55.960%0.59629%0.285SS*.G310 helixtrans-51.3-33.9176.5-170.9173.3-179.7176.70113.2D97 G98K95-D97 VanDerWaalsContact C-N 3.29Å; K95-D97 PolarHBondContact O-N 3.13Å; K95-G98 PolarHBondContact O-N 3.03Å
96E92.1Very high96.5Very high112 Ų11252.7 Ų52.752%0.52326%0.263SS..G310 helixtrans-75.6-15.6-178.8-54.773.1-145.500114Y47 K94Y47-E96 PolarHBondContact OH-O 2.68Å; K94-E96 WeakPolarHBondContact CB-OE2 3.44Å; K94-E96 PolarHBondContact O-N 2.82Å
97D94.5Very high96.2Very high53 Ų5352.4 Ų52.428%0.28326%0.263SS..G310 helixtrans-78.9-9.8173.9-59.6-39.5000111.3V93 K94 K95 G99 Y101V93-D97 WeakPolarHBondContact CA-OD2 3.32Å; V93-D97 HydrophobicContact CB-CB 4.39Å; K94-D97 PolarHBondContact N-OD2 2.8Å; K94-D97 WeakPolarHBondContact O-CB 3.4Å; K94-D97 PolarHBondContact O-N 2.81Å; K95-D97 VanDerWaalsContact C-N 3.29Å; K95-D97 PolarHBondContact O-N 3.13Å; D97-G99 PolarHBondContact O-N 3.16Å; D97-Y101 WeakPolarHBondContact O-CE2 3.36Å; D97-Y101 PolarHBondContact O-OH 2.88Å
98G94.9Very high95.8Very high20 Ų2050.2 Ų50.221%0.20626%0.259CS..  trans-65.1124.6173.200000112Y47 K95 L122Y47-G98 PolarHBondContact OH-O 2.84Å; K95-G98 PolarHBondContact O-N 3.03Å; G98-L122 VanDerWaalsContact CA-O 3.28Å; G98-L122 WeakPolarHBondContact CA-O 3.47Å
99G95.4Very high95.2Very high3 Ų356.7 Ų56.73%0.03128%0.283CS..EExtended strand (participates in β ladder)trans171.1-163.9-178.700000112.7D97 T121 L122D97-G99 PolarHBondContact O-N 3.16Å; G99-T121 WeakPolarHBondContact O-CA 3.45Å; G99-L122 PolarHBondContact N-O 3.13Å; G99-L122 VanDerWaalsContact N-O 3.08Å; G99-L122 PolarHBondContact O-N 3.41Å
100V97.3Very high94.4Very high20 Ų2055 Ų5512%0.12127%0.274CS..EExtended strand (participates in β ladder)trans-100.6127.8177.9173.50000109.2I48 L50 H119I48-V100 HydrophobicContact CB-CB 4.24Å; I48-V100 HydrophobicContact CD1-CG1 4.4Å; I48-V100 PolarHBondContact N-O 3.06Å; I48-V100 PolarHBondContact O-N 2.82Å; L50-V100 HydrophobicContact CD1-CB 4.42Å; L50-V100 HydrophobicContact CD1-CG2 3.57Å; V100-H119 HydrophobicContact CG1-CB 3.88Å
101Y98Very high93.2Very high5 Ų563.2 Ų63.22%0.0231%0.311CS..EExtended strand (participates in β ladder)trans-106.5121.9174.3-69.6-92.3000108.9M27 W46 Y47 I74 L88 L90 D97 H119 A120 L122M27-Y101 HydrophobicContact CE-CD1 3.88Å; M27-Y101 HydrophobicContact CE-CD2 3.78Å; M27-Y101 HydrophobicContact CE-CE1 4.28Å; M27-Y101 HydrophobicContact CE-CE2 4.21Å; M27-Y101 HydrophobicContact CE-CG 3.59Å; M27-Y101 HydrophobicContact SD-CD2 4.2Å; M27-Y101 HydrophobicContact SD-CG 4.07Å; W46-Y101 CarbonylContact O-C 3.55Å; W46-Y101 WeakPolarHBondContact O-CA 3.37Å; Y47-Y101 HydrophobicContact CD2-CD1 4.17Å; Y47-Y101 HydrophobicContact CD2-CD2 4.4Å; Y47-Y101 AromaticContact CD2-CE1 3.7Å; Y47-Y101 HydrophobicContact CD2-CE1 3.7Å; Y47-Y101 AromaticContact CD2-CE2 3.93Å; Y47-Y101 HydrophobicContact CD2-CE2 3.93Å; Y47-Y101 AromaticContact CD2-CZ 3.58Å; Y47-Y101 HydrophobicContact CE2-CE1 4.45Å; Y47-Y101 HydrophobicContact CE2-CE2 4.01Å; Y47-Y101 AromaticContact CE2-CZ 3.87Å; Y47-Y101 HydrophobicContact CG-CE1 4.33Å; I74-Y101 HydrophobicContact CD1-CD1 3.66Å; I74-Y101 HydrophobicContact CD1-CE1 3.71Å; L88-Y101 HydrophobicContact CD2-CD1 3.38Å; L88-Y101 HydrophobicContact CD2-CE1 3.84Å; L88-Y101 HydrophobicContact CD2-CG 4.23Å; L90-Y101 HydrophobicContact CD1-CE1 3.76Å; L90-Y101 HydrophobicContact CD1-CE2 4.17Å; L90-Y101 VanDerWaalsContact CD1-CZ 3.48Å; L90-Y101 VanDerWaalsContact CD1-OH 3.27Å; L90-Y101 WeakPolarHBondContact CD1-OH 3.4Å; L90-Y101 HydrophobicContact CD2-CE1 4.4Å; D97-Y101 WeakPolarHBondContact O-CE2 3.36Å; D97-Y101 PolarHBondContact O-OH 2.88Å; Y101-H119 CarbonylContact O-C 3.6Å; Y101-H119 WeakPolarHBondContact O-CA 3.36Å; Y101-H119 WeakPolarHBondContact O-CB 3.45Å; Y101-A120 PolarHBondContact N-O 2.93Å; Y101-A120 PolarHBondContact O-N 2.85Å; Y101-L122 HydrophobicContact CD2-CB 3.84Å; Y101-L122 HydrophobicContact CE2-CB 3.58Å; Y101-L122 HydrophobicContact CE2-CD2 3.67Å; Y101-L122 HydrophobicContact CE2-CG 4.26Å
102E97.9Very high92.2Very high27 Ų2765.8 Ų65.813%0.12631%0.313CS..EExtended strand (participates in β ladder)trans-114.2127.2-175.9-171.8175.275.400110.2W45 W46 I48 R104 V118 H119W45-E102 CarbonylContact C-O 3.57Å; W45-E102 WeakPolarHBondContact CA-O 3.47Å; W46-E102 HydrophobicContact CB-CB 4.34Å; W46-E102 PolarHBondContact N-O 3.16Å; W46-E102 PolarHBondContact O-N 2.98Å; I48-E102 HydrophobicContact CD1-CB 4.27Å; E102-R104 HydrophobicContact CG-CG 4.16Å; E102-R104 IonicContact OE1-CZ 3.93Å; E102-R104 IonicContact OE1-NE 3.08Å; E102-R104 PolarHBondContact OE1-NE 2.95Å; E102-R104 IonicContact OE1-NH2 2.66Å; E102-R104 PolarHBondContact OE1-NH2 3.15Å; E102-V118 CarbonylContact C-O 3.59Å; E102-V118 WeakPolarHBondContact CA-O 3.36Å; E102-H119 HydrophobicContact CB-CB 4.37Å; E102-H119 HydrophobicContact CG-CB 4.45Å
103C98.3Very high90.9Very high0 Ų065.8 Ų65.80%032%0.321CS..EExtended strand (participates in β ladder)trans-96.2121.9169.9179.60000108.6C29 I43 Q44 W45 T117 V118C29-C103 HydrophobicContact CB-CB 3.69Å; C29-C103 WeakPolarHBondContact CB-SG 3.34Å; C29-C103 WeakPolarHBondContact SG-CB 3.43Å; C29-C103 CovalentContact SG-SG 2.03Å; C29-C103 PolarHBondContact SG-SG 2.86Å; I43-C103 VanDerWaalsContact CD1-SG 3.57Å; Q44-C103 WeakPolarHBondContact O-CA 3.28Å; W45-C103 HydrophobicContact CD2-CB 4.38Å; W45-C103 HydrophobicContact CE3-CB 4.22Å; W45-C103 HydrophobicContact CH2-CB 4.02Å; W45-C103 HydrophobicContact CZ2-CB 4.17Å; W45-C103 HydrophobicContact CZ3-CB 4.04Å; C103-T117 WeakPolarHBondContact O-CA 3.34Å; C103-V118 HydrophobicContact CB-CG2 3.89Å; C103-V118 PolarHBondContact N-O 2.86Å; C103-V118 PolarHBondContact O-N 2.87Å
104R97.5Very high90.1Very high62 Ų6270.2 Ų70.223%0.23434%0.341CS..EExtended strand (participates in β ladder)trans-113.9134.8176-52.2-172.3-177.8-175.1-4.8109.5I43 Q44 E102 F116 T117I43-R104 CarbonylContact C-O 3.56Å; I43-R104 WeakPolarHBondContact CA-O 3.46Å; Q44-R104 HydrophobicContact CB-CB 4.47Å; Q44-R104 PolarHBondContact N-O 3.41Å; Q44-R104 PolarHBondContact O-N 2.84Å; E102-R104 HydrophobicContact CG-CG 4.16Å; E102-R104 IonicContact OE1-CZ 3.93Å; E102-R104 IonicContact OE1-NE 3.08Å; E102-R104 PolarHBondContact OE1-NE 2.95Å; E102-R104 IonicContact OE1-NH2 2.66Å; E102-R104 PolarHBondContact OE1-NH2 3.15Å; R104-F116 CarbonylContact C-O 3.57Å; R104-F116 WeakPolarHBondContact CA-O 3.36Å; R104-T117 HydrophobicContact CB-CG2 4.29Å; R104-T117 HydrophobicContact CG-CG2 3.89Å
105V97.4Very high89.8Confident0 Ų068 Ų680%034%0.335CS..EExtended strand (participates in β ladder)trans-124128.6173.4-178.20000109.1F10 F31 L41 E42 I43 I84 F116F10-V105 HydrophobicContact CE1-CG2 3.84Å; F10-V105 HydrophobicContact CZ-CG2 4.3Å; F31-V105 HydrophobicContact CB-CB 4.43Å; F31-V105 HydrophobicContact CB-CG1 4.19Å; F31-V105 HydrophobicContact CB-CG2 3.89Å; F31-V105 HydrophobicContact CD1-CB 4.43Å; F31-V105 HydrophobicContact CD1-CG1 3.62Å; F31-V105 HydrophobicContact CD2-CB 4.36Å; F31-V105 HydrophobicContact CD2-CG1 4.39Å; F31-V105 HydrophobicContact CD2-CG2 4.48Å; F31-V105 HydrophobicContact CE1-CG1 3.97Å; F31-V105 HydrophobicContact CG-CB 4.17Å; F31-V105 HydrophobicContact CG-CG1 3.82Å; F31-V105 HydrophobicContact CG-CG2 4.16Å; F31-V105 HydrophobicContact CZ-CG1 4.48Å; L41-V105 HydrophobicContact CD2-CG1 4.5Å; E42-V105 CarbonylContact O-C 3.6Å; E42-V105 VanDerWaalsContact O-CA 3.25Å; E42-V105 WeakPolarHBondContact O-CA 3.49Å; I43-V105 HydrophobicContact CB-CG2 4.09Å; I43-V105 HydrophobicContact CD1-CG2 3.97Å; I43-V105 HydrophobicContact CG1-CG2 3.79Å; I84-V105 HydrophobicContact CG2-CG1 4.11Å; V105-F116 HydrophobicContact CB-CB 4.43Å; V105-F116 PolarHBondContact N-O 2.91Å; V105-F116 PolarHBondContact O-N 2.69Å
106S94.7Very high89.8Confident20 Ų2064 Ų6414%0.1432%0.318CS..EExtended strand (participates in β ladder)trans-129.9155.5177.564.30000110.9L41 E42 D115L41-S106 WeakPolarHBondContact CA-O 3.36Å; E42-S106 PolarHBondContact N-O 3.32Å; E42-S106 PolarHBondContact O-N 2.89Å; S106-D115 VanDerWaalsContact CB-OD1 3.22Å; S106-D115 WeakPolarHBondContact CB-OD1 3.41Å
107D92.6Very high90Very high34 Ų3462.1 Ų62.118%0.18231%0.314CS..EExtended strand (participates in β ladder)trans-98.1118.3168-178.817.2000109.4M39 S40 L41 W109 A110M39-D107 HydrophobicContact CE-CB 4.11Å; M39-D107 WeakPolarHBondContact CE-OD2 3.44Å; S40-D107 PolarHBondContact N-OD1 3Å; S40-D107 VanDerWaalsContact N-OD1 3.13Å; L41-D107 HydrophobicContact CD2-CB 4.29Å; D107-W109 PolarHBondContact O-N 2.65Å; D107-W109 VanDerWaalsContact O-N 3.16Å; D107-W109 PolarHBondContact OD1-N 2.8Å; D107-A110 HydrophobicContact CB-CB 3.93Å; D107-A110 PolarHBondContact O-N 2.73Å
108L90Very high90.2Very high67 Ų6760.8 Ų60.835%0.35131%0.308SS..THydrogen-bonded Turntrans-69.1-12.1-175.8-63.1175.8000113.5S40 E42 R78S40-L108 WeakPolarHBondContact O-CB 3.49Å; S40-L108 WeakPolarHBondContact O-CG 3.45Å; S40-L108 PolarHBondContact O-N 2.84Å; E42-L108 HydrophobicContact CB-CD1 4.25Å; E42-L108 HydrophobicContact CB-CD2 3.99Å; E42-L108 HydrophobicContact CB-CG 4.07Å; R78-L108 HydrophobicContact CG-CD1 4.16Å
109W85.3Confident90.4Very high148 Ų14865.2 Ų65.256%0.56132%0.323SS*.THydrogen-bonded Turntrans-109.2-1.3178-58.8-12.9000113D107 E111D107-W109 PolarHBondContact O-N 2.65Å; D107-W109 VanDerWaalsContact O-N 3.16Å; D107-W109 PolarHBondContact OD1-N 2.8Å; W109-E111 PolarHBondContact O-N 3.23Å
110A81.2Confident90.5Very high40 Ų4065.1 Ų65.133%0.33132%0.322SS..  trans-69.2129.7174.200000109D107 E112D107-A110 HydrophobicContact CB-CB 3.93Å; D107-A110 PolarHBondContact O-N 2.73Å; A110-E112 VanDerWaalsContact CB-O 3.26Å; A110-E112 WeakPolarHBondContact CB-O 3.5Å; A110-E112 PolarHBondContact O-N 3.04Å
111E73.1Confident90.5Very high202 Ų20266.2 Ų66.294%0.94433%0.329SS*.SBendtrans-69-16174.3-59-72.2139.300111.7W109W109-E111 PolarHBondContact O-N 3.23Å
112E76.4Confident90.5Very high147 Ų14766.1 Ų66.169%0.68733%0.328SS*.SBendtrans-113.7131.4172.7-175.8166.9101.400109.3A110 Q114A110-E112 VanDerWaalsContact CB-O 3.26Å; A110-E112 WeakPolarHBondContact CB-O 3.5Å; A110-E112 PolarHBondContact O-N 3.04Å; E112-Q114 PolarHBondContact O-N 3.38Å
113D68.7Low90.4Very high157 Ų15768.2 Ų68.284%0.8434%0.343SS*.  trans-69.269.4176.5-66.4-46.5000110.6D115D113-D115 PolarHBondContact O-N 2.82Å
114Q80.1Confident90.2Very high94 Ų9469.3 Ų69.344%0.43935%0.349SS..  trans-82.693.3174.5-171.2171.360.700109.5E112 F116E112-Q114 PolarHBondContact O-N 3.38Å; Q114-F116 HydrophobicContact CG-CD2 4.48Å; Q114-F116 HydrophobicContact CG-CE2 3.81Å; Q114-F116 HydrophobicContact CG-CZ 3.9Å
115D87.3Confident90Very high79 Ų7969.7 Ų69.742%0.42236%0.358SS..  trans-89.1119.7173.8-75.7-1.7000110.6S106 D113 T117S106-D115 VanDerWaalsContact CB-OD1 3.22Å; S106-D115 WeakPolarHBondContact CB-OD1 3.41Å; D113-D115 PolarHBondContact O-N 2.82Å; D115-T117 HydrophobicContact CB-CG2 4.36Å
116F94.1Very high89.4Confident53 Ų5373 Ų7323%0.23239%0.385CS..EExtended strand (participates in β ladder)trans-87.9127167.9-61.8-91.5000108.6A8 F10 F31 R104 V105 Q114A8-F116 HydrophobicContact CB-CE1 4.27Å; A8-F116 HydrophobicContact CB-CE2 4.41Å; A8-F116 HydrophobicContact CB-CZ 3.91Å; F10-F116 HydrophobicContact CE2-CB 3.71Å; F10-F116 HydrophobicContact CZ-CB 3.79Å; F10-F116 WeakPolarHBondContact CZ-O 3.25Å; F31-F116 HydrophobicContact CD2-CB 4.35Å; F31-F116 HydrophobicContact CE1-CD2 4.48Å; F31-F116 HydrophobicContact CE2-CB 3.71Å; F31-F116 AromaticContact CE2-CD1 3.79Å; F31-F116 HydrophobicContact CE2-CD1 3.79Å; F31-F116 AromaticContact CE2-CD2 3.79Å; F31-F116 HydrophobicContact CE2-CD2 3.79Å; F31-F116 HydrophobicContact CE2-CE1 4.36Å; F31-F116 HydrophobicContact CE2-CE2 4.36Å; F31-F116 AromaticContact CE2-CG 3.47Å; F31-F116 HydrophobicContact CE2-CG 3.47Å; F31-F116 VanDerWaalsContact CE2-CG 3.47Å; F31-F116 HydrophobicContact CZ-CB 4.3Å; F31-F116 HydrophobicContact CZ-CD1 4.12Å; F31-F116 AromaticContact CZ-CD2 3.49Å; F31-F116 HydrophobicContact CZ-CD2 3.49Å; F31-F116 VanDerWaalsContact CZ-CD2 3.49Å; F31-F116 HydrophobicContact CZ-CE1 4.32Å; F31-F116 AromaticContact CZ-CE2 3.74Å; F31-F116 HydrophobicContact CZ-CE2 3.74Å; F31-F116 AromaticContact CZ-CG 3.7Å; F31-F116 HydrophobicContact CZ-CG 3.7Å; F31-F116 HydrophobicContact CZ-CZ 4.15Å; R104-F116 CarbonylContact C-O 3.57Å; R104-F116 WeakPolarHBondContact CA-O 3.36Å; V105-F116 HydrophobicContact CB-CB 4.43Å; V105-F116 PolarHBondContact N-O 2.91Å; V105-F116 PolarHBondContact O-N 2.69Å; Q114-F116 HydrophobicContact CG-CD2 4.48Å; Q114-F116 HydrophobicContact CG-CE2 3.81Å; Q114-F116 HydrophobicContact CG-CZ 3.9Å
117T96.5Very high88.1Confident73 Ų7374.6 Ų74.645%0.44841%0.406SS..EExtended strand (participates in β ladder)trans-129.5140.5-175.863.70000112.3C103 R104 D115C103-T117 WeakPolarHBondContact O-CA 3.34Å; R104-T117 HydrophobicContact CB-CG2 4.29Å; R104-T117 HydrophobicContact CG-CG2 3.89Å; D115-T117 HydrophobicContact CB-CG2 4.36Å
118V98.3Very high86.5Confident26 Ų2676.4 Ų76.416%0.15843%0.432CS..EExtended strand (participates in β ladder)trans-139.8154.8168.1-72.20000108.9F10 V13 P14 E102 C103F10-V118 HydrophobicContact CD1-CG1 4.4Å; F10-V118 HydrophobicContact CD1-CG2 3.86Å; F10-V118 HydrophobicContact CD2-CG1 3.46Å; F10-V118 VanDerWaalsContact CD2-CG1 3.46Å; F10-V118 HydrophobicContact CD2-CG2 4.38Å; F10-V118 HydrophobicContact CE1-CG1 4.47Å; F10-V118 HydrophobicContact CE1-CG2 3.66Å; F10-V118 HydrophobicContact CE2-CB 4.35Å; F10-V118 HydrophobicContact CE2-CG1 3.53Å; F10-V118 HydrophobicContact CE2-CG2 4.19Å; F10-V118 HydrophobicContact CG-CG1 3.92Å; F10-V118 HydrophobicContact CG-CG2 4.22Å; F10-V118 HydrophobicContact CZ-CB 4.4Å; F10-V118 HydrophobicContact CZ-CG1 4.05Å; F10-V118 HydrophobicContact CZ-CG2 3.82Å; V13-V118 HydrophobicContact CG1-CB 3.93Å; V13-V118 HydrophobicContact CG1-CG1 3.98Å; V13-V118 HydrophobicContact CG1-CG2 4.23Å; V13-V118 HydrophobicContact CG2-CG1 4.31Å; P14-V118 HydrophobicContact CG-CG2 4.24Å; E102-V118 CarbonylContact C-O 3.59Å; E102-V118 WeakPolarHBondContact CA-O 3.36Å; C103-V118 HydrophobicContact CB-CG2 3.89Å; C103-V118 PolarHBondContact N-O 2.86Å; C103-V118 PolarHBondContact O-N 2.87Å
119H97.5Very high84.9Confident113 Ų11376.4 Ų76.452%0.52345%0.448SS..EExtended strand (participates in β ladder)trans-137.3164.2-179.259.7-130000112.6V100 Y101 E102V100-H119 HydrophobicContact CG1-CB 3.88Å; Y101-H119 CarbonylContact O-C 3.6Å; Y101-H119 WeakPolarHBondContact O-CA 3.36Å; Y101-H119 WeakPolarHBondContact O-CB 3.45Å; E102-H119 HydrophobicContact CB-CB 4.37Å; E102-H119 HydrophobicContact CG-CB 4.45Å
120A97.9Very high83.4Confident0 Ų078.1 Ų78.10%046%0.464CS..EExtended strand (participates in β ladder)trans-139.6148.1167.200000110.2P14 K15 D16 M27 Y101P14-A120 HydrophobicContact CB-CB 3.73Å; P14-A120 HydrophobicContact CG-CB 4.1Å; K15-A120 WeakPolarHBondContact O-CB 3.33Å; D16-A120 WeakPolarHBondContact OD1-CA 3.25Å; M27-A120 HydrophobicContact SD-CB 4.23Å; Y101-A120 PolarHBondContact N-O 2.93Å; Y101-A120 PolarHBondContact O-N 2.85Å
121T97.6Very high82.4Confident43 Ų4382.6 Ų82.626%0.26449%0.487SS..EExtended strand (participates in β ladder)trans-96.8125.1173.5-52.80000109.5D16 T17 G99D16-T121 WeakPolarHBondContact CA-O 3.46Å; D16-T121 PolarHBondContact OD1-N 3.07Å; T17-T121 PolarHBondContact N-O 2.87Å; G99-T121 WeakPolarHBondContact O-CA 3.45Å
122L97.3Very high81.6Confident3 Ų377.1 Ų77.12%0.01648%0.477CS..EExtended strand (participates in β ladder)trans-98.2117.6170.4-18057.2000109.2T17 V19 V25 L90 G98 G99 Y101 I124T17-L122 WeakPolarHBondContact O-CA 3.37Å; V19-L122 HydrophobicContact CG2-CD1 3.87Å; V25-L122 HydrophobicContact CG1-CD1 4.2Å; V25-L122 HydrophobicContact CG2-CD1 3.94Å; V25-L122 HydrophobicContact CG2-CD2 4.41Å; L90-L122 HydrophobicContact CD1-CD2 3.76Å; G98-L122 VanDerWaalsContact CA-O 3.28Å; G98-L122 WeakPolarHBondContact CA-O 3.47Å; G99-L122 PolarHBondContact N-O 3.13Å; G99-L122 VanDerWaalsContact N-O 3.08Å; G99-L122 PolarHBondContact O-N 3.41Å; Y101-L122 HydrophobicContact CD2-CB 3.84Å; Y101-L122 HydrophobicContact CE2-CB 3.58Å; Y101-L122 HydrophobicContact CE2-CD2 3.67Å; Y101-L122 HydrophobicContact CE2-CG 4.26Å; L122-I124 HydrophobicContact CD1-CD1 3.91Å; L122-I124 HydrophobicContact CD2-CD1 3.94Å; L122-I124 HydrophobicContact CG-CD1 3.69Å; L122-I124 HydrophobicContact CG-CG1 4.4Å
123T96Very high80.8Confident72 Ų7278.8 Ų78.844%0.44249%0.485SS..EExtended strand (participates in β ladder)trans-103.3131.1173.1-560000109.5T17 S18 V19T17-T123 PolarHBondContact O-N 2.77Å; S18-T123 VanDerWaalsContact CA-O 3.27Å; S18-T123 WeakPolarHBondContact CA-O 3.37Å; V19-T123 PolarHBondContact N-O 2.95Å
124I95.5Very high80.2Confident22 Ų2280.2 Ų80.211%0.11349%0.486CS..EExtended strand (participates in β ladder)trans-108.9116.3178.1-52.4-60000108.7V19 E21 V93 K94 L122V19-I124 HydrophobicContact CG2-CD1 3.46Å; V19-I124 VanDerWaalsContact CG2-CD1 3.46Å; V19-I124 CarbonylContact O-C 3.57Å; V19-I124 WeakPolarHBondContact O-CA 3.39Å; E21-I124 HydrophobicContact CB-CG2 4.43Å; E21-I124 HydrophobicContact CG-CG2 3.51Å; V93-I124 HydrophobicContact CB-CD1 3.95Å; V93-I124 HydrophobicContact CG2-CD1 3.56Å; K94-I124 WeakPolarHBondContact O-CG1 3.07Å; L122-I124 HydrophobicContact CD1-CD1 3.91Å; L122-I124 HydrophobicContact CD2-CD1 3.94Å; L122-I124 HydrophobicContact CG-CD1 3.69Å; L122-I124 HydrophobicContact CG-CG1 4.4Å
125T92.9Very high79.1Confident71 Ų7180 Ų8044%0.43650%0.501SS..EExtended strand (participates in β ladder)trans-83.1125.1172.856.20000108.7V19 G20 E21 G127V19-T125 PolarHBondContact O-N 2.66Å; V19-T125 PolarHBondContact O-OG1 3.1Å; G20-T125 WeakPolarHBondContact CA-OG1 3.22Å; E21-T125 PolarHBondContact N-O 2.76Å; E21-T125 VanDerWaalsContact N-O 3.13Å; T125-G127 PolarHBondContact O-N 3.2Å
126A84.1Confident77.8Confident68 Ų6881.8 Ų81.856%0.56251%0.514SS*.  trans-58.4125.5172.700000107.8G128A126-G128 PolarHBondContact O-N 3.39Å
127G68.4Low76.3Confident55 Ų5583.5 Ų83.557%0.56753%0.533SS*.  trans-55.3112.8177.400000108.5T125 G129T125-G127 PolarHBondContact O-N 3.2Å; G127-G129 VanDerWaalsContact C-N 3.31Å; G127-G129 PolarHBondContact O-N 2.85Å
128G58.7Low74.5Confident71 Ų7187.5 Ų87.573%0.73255%0.546SS*.  trans-59.398.2174.200000107.8A126 M130A126-G128 PolarHBondContact O-N 3.39Å; G128-M130 PolarHBondContact O-N 3.13Å
129G55.6Low72.9Confident67 Ų6792.3 Ų92.369%0.69157%0.57SS**  trans-55.3105.6169.200000107.1G127 V131G127-G129 VanDerWaalsContact C-N 3.31Å; G127-G129 PolarHBondContact O-N 2.85Å; G129-V131 PolarHBondContact O-N 3.32Å; G129-V131 VanDerWaalsContact O-N 3.12Å
130M53.9Low71.3Confident184 Ų18495.5 Ų95.591%0.90659%0.585SS**  trans27.375.4165.4-58172.7-174.900113.8G128 A132G128-M130 PolarHBondContact O-N 3.13Å; M130-A132 PolarHBondContact O-N 3.19Å
131V61.3Low69.5Low134 Ų134102.5 Ų102.581%0.81262%0.622SS**  trans-78.672.9155.1-1740000106G129 E133G129-V131 PolarHBondContact O-N 3.32Å; G129-V131 VanDerWaalsContact O-N 3.12Å; V131-E133 PolarHBondContact O-N 3.2Å
132A56.2Low67.5Low88 Ų88111.9 Ų111.973%0.72765%0.653SS**  trans-75.3114.5157.700000105.4M130M130-A132 PolarHBondContact O-N 3.19Å
133E59.3Low65.3Low181 Ų181122.9 Ų122.985%0.84669%0.694SS**  trans-45.4138.9-178.6-70.4-167.6114.700112.9V131 A135V131-E133 PolarHBondContact O-N 3.2Å; E133-A135 PolarHBondContact O-N 2.89Å
134E55.3Low63.4Low187 Ų187124.4 Ų124.487%0.87471%0.708SS**  trans-38.7130.8167.1-159.4172.611900112.4V136E134-V136 PolarHBondContact O-N 2.75Å
135A58.4Low61.3Low91 Ų91131 Ų13175%0.75274%0.742SS**  trans-60.8120.9178.800000111.9E133 S137E133-A135 PolarHBondContact O-N 2.89Å; A135-S137 PolarHBondContact O-N 3.19Å
136V59.7Low59.3Low115 Ų115138.2 Ų138.270%0.69776%0.762SS**  trans-90.192.2155.1-173.30000108.3E134 H138E134-V136 PolarHBondContact O-N 2.75Å; V136-H138 VanDerWaalsContact CG1-NE2 3.32Å; V136-H138 WeakPolarHBondContact CG1-NE2 3.26Å; V136-H138 PolarHBondContact O-N 3.41Å; V136-H138 VanDerWaalsContact O-N 3.15Å
137S62.2Low57.6Low89 Ų89142.4 Ų142.462%0.62277%0.774SS**  trans-67.8100.2169176.30000110A135 I139A135-S137 PolarHBondContact O-N 3.19Å; S137-I139 PolarHBondContact O-N 3.16Å
138H58.1Low56.4Low158 Ų158144.2 Ų144.273%0.73178%0.784SS**  trans-95.278.7163.8-75.7-63.3000110.1V136 Q140V136-H138 VanDerWaalsContact CG1-NE2 3.32Å; V136-H138 WeakPolarHBondContact CG1-NE2 3.26Å; V136-H138 PolarHBondContact O-N 3.41Å; V136-H138 VanDerWaalsContact O-N 3.15Å; H138-Q140 PolarHBondContact O-N 3.33Å
139I64.8Low56Low127 Ų127148 Ų14865%0.65179%0.788SS**  trans-73.5110.7155.1-67.5161.9000107S137S137-I139 PolarHBondContact O-N 3.16Å
140Q63.9Low55.4Low179 Ų179151.5 Ų151.584%0.83680%0.796SS**  trans-114.691.6154.9-72.1-167.73.100108.6H138H138-Q140 PolarHBondContact O-N 3.33Å
141N60.8Low54.8Low147 Ų147146.9 Ų146.979%0.78679%0.787SS**  trans-58135.6158.4-78.3-4.4000109
142R55.5Low53.8Low240 Ų240149 Ų14991%0.90679%0.793SS**  163.782125.5-167.7178.7-136.5-1455112.4
143W50.8Low52.8Low235 Ų235148.4 Ų148.489%0.8980%0.795SS**  trans-140.191.8145.2178.2-78.5000108.6
144S56.7Low51.6Low104 Ų104143.9 Ų143.973%0.72780%0.797SS**  trans-134.4129.2149.6-67.10000105.6
145L51.4Low50.7Low159 Ų159138.5 Ų138.583%0.83279%0.791SS**  trans85.297.9168.6-49.3163.7000117.1
146R50.2Low49.8Very low224 Ų224142.6 Ų142.685%0.84580%0.795SS**  -156.6106.6112.6-143.3162.9-78.1-110.81.6111.8
147N47.8Very low48.8Very low155 Ų155144.6 Ų144.683%0.82980%0.801SS**  trans-57.8132.7156.8-96.88.1000108.6
148A43.3Very low47.6Very low93 Ų93144.3 Ų144.377%0.76981%0.812SS**  trans-118.393.3165.600000108.2
149N50.7Low46.5Very low151 Ų151140.6 Ų140.681%0.80782%0.817SS**  trans-104.7103.4158.4-76.9-4.5000107.1
150T42.5Very low45Very low140 Ų140138 Ų13886%0.85982%0.821SS**  trans-148.7109.6152.9-3.40000108.6
151A42.5Very low43.8Very low87 Ų87135.8 Ų135.872%0.71982%0.82SS**  trans-59.2149.5167.700000111
152L39.5Very low42.7Very low180 Ų180134 Ų13494%0.94282%0.819SS**  170.7125.3125.6-92.9150.7000110.6
153G34.8Very low42.1Very low75 Ų75132.2 Ų132.277%0.77382%0.818SS**  trans114.2104.3134.800000117.4
154G35.6Very low41.9Very low86 Ų86126.5 Ų126.589%0.88781%0.811SS**  trans75.4127.1150.400000114.8
155G35.4Very low40.9Very low73 Ų73126.1 Ų126.175%0.75381%0.809SS**  cis143.7137.422.500000106.2
156Q38.8Very low40.6Very low177 Ų177126.7 Ų126.783%0.82781%0.807SS**  trans93.1102148-139.7145-12.600120.2
157L39.7Very low39.8Very low157 Ų157122.7 Ų122.782%0.82280%0.802SS**  66.9125.5126.5-65.3171.1000122.7
158G37.8Very low39.5Very low84 Ų84121.7 Ų121.787%0.86680%0.795SS**  trans98.8126.9144.500000114.1
159G34.8Very low39.1Very low80 Ų80123.5 Ų123.583%0.82580%0.797SS**  cis139.9126.214.200000108.7
160G33.3Very low38.3Very low72 Ų72120.1 Ų120.174%0.74280%0.798SS**  trans69157.716700000116.5
161T38.8Very low37.9Very low132 Ų132117 Ų11781%0.8179%0.794SS**  cis176.2146.3-10.124.50000104.7
162S36.9Very low37.5Very low111 Ų111118.3 Ų118.378%0.77680%0.798SS**  trans59116.5144.7-43.50000121.3
163K42.6Very low37.7Very low201 Ų201121 Ų12187%0.87480%0.795SS**  trans-54.1149.2144-144.6-178.8164.7167.90108.8
164P47Very low37.6Very low115 Ų115126.5 Ų126.575%0.74780%0.801SS**  -158.6167.284.941.3-20.5000117.3
165S36.3Very low37.5Very low97 Ų97126.1 Ų126.168%0.67880%0.797SS**  trans62.6123.5141.1-135.20000122.4
166Q44.1Very low37.4Very low171 Ų171132.2 Ų132.280%0.79981%0.806SS**  169.4121.6104.4-86.1177.846.400109.2
167L33.3Very low37Very low139 Ų139131.2 Ų131.273%0.72880%0.801SS**  70.8110.591.7-136.388.4000109.8
168L42.8Very low36.5Very low134 Ų134131.7 Ų131.770%0.70280%0.796SS**  -177.7125.670-85.1166.7000106.7
169T34.6Very low36.1Very low132 Ų132137.1 Ų137.181%0.8180%0.799SS**  48.4132.3100.562.80000114.4
170G34.1Very low35.8Very low79 Ų79143.4 Ų143.481%0.81480%0.798SS**  cis-164.4174.37.400000106.4
171G33.3Very low35.9Very low76 Ų76145.9 Ų145.978%0.78480%0.798SS**  cis108.9128.135.200000109.5
172S34Very low36Very low114 Ų114145 Ų14580%0.79780%0.795SS**  trans80.6126.2176-87.80000117.5
173R44.7Very low35.9Very low236 Ų236149 Ų14989%0.89180%0.801SS**  cis55.2102.738-77.3-170.5166.7-173.3-2.5114.9
174E32.7Very low35.4Very low191 Ų191147.1 Ų147.189%0.89380%0.8SS**  trans-170.5131.5142.7-101.9163.7108.400104.1
175G32.4Very low34.8Very low77 Ų77145.6 Ų145.679%0.79480%0.797SS**  cis94.286.93900000108.3
176Q33.8Very low35.1Very low202 Ų202149.8 Ų149.894%0.94481%0.806SS**  trans-145.9133.9162.2-159.2169.1-10.800113.6
177E29.9Very low34.4Very low155 Ų155146.7 Ų146.772%0.72480%0.804SS**  trans-85.4160.7-172.1-172-173.289.400112.6
178K30.1Very low34.3Very low167 Ų167147.4 Ų147.473%0.72681%0.808SS**  trans99.8106.6139.7-138.9169.4-171.5166.90119.2
179Q28.3Very low33.9Very low199 Ų199148.6 Ų148.693%0.9381%0.814SS**  -150.4132.5126.1-164.9102.5-40.800109
180R29.3Very low34.4Very low212 Ų212150.1 Ų150.180%0.882%0.817SS**  trans-119.1123.3-172154.5-173.8-94.8-150.71.9108.7
181V34.1Very low34.9Very low123 Ų123150.9 Ų150.975%0.74581%0.807SS**  trans68.9151.8130.11750000117
182P42.8Very low35Very low115 Ų115151.7 Ų151.775%0.74780%0.801SS**  cis-131.6146.130.615.711.1000120.6
183Q34.7Very low35.2Very low193 Ų193154 Ų15490%0.90280%0.801SS**  trans-77.4132.3146.7-176171.6-84.100108.7
184L32Very low34.9Very low163 Ų163147.1 Ų147.185%0.85379%0.789SS**  trans-130123.8172.5-165.377.3000110.3
185A33.5Very low35.3Very low83 Ų83143.2 Ų143.269%0.68678%0.783SS**  trans60.4115.3149.800000120.6
186Q43.3Very low35.5Very low185 Ų185145.6 Ų145.686%0.86478%0.782SS**  trans-49.9140.9144.3-67.5161.9-69.200111.5
187S29.6Very low35.9Very low106 Ų106142.7 Ų142.774%0.74178%0.778SS**  trans-164.5103.8147.3-69.20000104.5
188D29.8Very low36.4Very low154 Ų154140.4 Ų140.482%0.82478%0.775SS**  54.2133.391.5-86.6-49.4000114.1
189L35.9Very low36.9Very low158 Ų158138.2 Ų138.283%0.82778%0.776SS**  trans9995.2164.1-50.5175.8000117.6
190L44.1Very low37.6Very low165 Ų165134.5 Ų134.586%0.86477%0.772SS**  trans-42.7147.7134.8-72.6159.8000110.5
191P43.7Very low38.2Very low94 Ų94130.4 Ų130.461%0.6177%0.77SS**  -128.6128.2121.115.14000112.1M193P191-M193 HydrophobicContact CB-CE 3.98Å; P191-M193 HydrophobicContact CG-CE 3.97Å; P191-M193 PolarHBondContact O-N 3.06Å
192S37.3Very low38.8Very low94 Ų94129.4 Ų129.466%0.65778%0.775SS**  trans-46.4122.9147.4175.80000109.8S194S192-S194 PolarHBondContact OG-OG 3.37Å
193M37.9Very low38.6Very low162 Ų162132.6 Ų132.680%0.79878%0.777SS**  trans-99.180.7165.1-18.1-118.482.700106.3P191P191-M193 HydrophobicContact CB-CE 3.98Å; P191-M193 HydrophobicContact CG-CE 3.97Å; P191-M193 PolarHBondContact O-N 3.06Å
194S38.7Very low38.6Very low92 Ų92128.9 Ų128.964%0.64377%0.772SS**  trans-92.3118.4157.8-62.10000107.3S192S192-S194 PolarHBondContact OG-OG 3.37Å
195S39.6Very low39.1Very low108 Ų108126 Ų12676%0.75577%0.772SS**  trans-15091164-570000104.2
196T36.2Very low39.4Very low127 Ų127126.5 Ų126.578%0.77978%0.776SS**  47.385.579.4-38.90000111.6
197T43.9Very low39.2Very low141 Ų141122.4 Ų122.487%0.86577%0.768SS**  trans-105.4125.7151.3-41.10000107.9
198T40.1Very low39.9Very low108 Ų108125.6 Ų125.666%0.66377%0.771SS**  trans-71.1135.9-173.5-14.80000111.8
199T39.3Very low40.9Very low121 Ų121126.5 Ų126.574%0.74278%0.775SS**  trans40.1115140.255.20000120
200S43.7Very low41.6Very low120 Ų120124.9 Ų124.984%0.83977%0.774SS**  -136.7110.5124.462.40000109.7
201V42.4Very low41.4Very low127 Ų127120.4 Ų120.477%0.7777%0.768SS**  trans-71.1123.1165.3173.40000107.5K203V201-K203 HydrophobicContact CG1-CG 4.42Å
202A46.8Very low41.5Very low101 Ų101122 Ų12284%0.83578%0.781SS**  trans-126.2115.4155.400000108
203K38.7Very low42Very low182 Ų182121.7 Ų121.779%0.79178%0.784SS**  trans-74.7145.2177.2-89.3172.1173.2169.40110.7V201V201-K203 HydrophobicContact CG1-CG 4.42Å
204S34.2Very low42.4Very low116 Ų116118.5 Ų118.581%0.81178%0.784SS**  trans64.8120138.9-59.40000119.3
205A41.6Very low43.1Very low102 Ų102119.2 Ų119.284%0.84378%0.784SS**  -164.6128.2103.600000110.6
206A39.7Very low43.6Very low93 Ų93120.9 Ų120.977%0.76978%0.783SS**  trans-71.7145161.900000110
207S40.3Very low44.5Very low100 Ų100125.7 Ų125.770%0.69979%0.788SS**  trans-177.4111135.3-86.80000109.6
208Q44.9Very low44.9Very low172 Ų172127 Ų12780%0.80478%0.783SS**  91.9102.9101.5-71.2-167.932.100112.2P210Q208-P210 WeakPolarHBondContact O-CD 3.49Å
209L50.6Low45.1Very low173 Ų173133.3 Ų133.391%0.90680%0.795SS**  trans-48.2142.5149.1-79.1139.3000110.1
210P49.2Very low45.8Very low124 Ų124132 Ų13281%0.80580%0.796SS**  trans-130.6141.214125.5-8.1000112Q208Q208-P210 WeakPolarHBondContact O-CD 3.49Å
211G40.9Very low45.8Very low72 Ų72133.3 Ų133.374%0.74283%0.829SS**  trans104.775.114000000116.4A213G211-A213 PolarHBondContact O-N 3.47Å
212S45.7Very low46Very low127 Ų127133.6 Ų133.689%0.88883%0.832SS**  trans-50.1127.5145.846.70000111.4
213A47.7Very low46Very low87 Ų87135.3 Ų135.372%0.71983%0.832SS**  trans-136.395.1157.600000108.7G211 V215G211-A213 PolarHBondContact O-N 3.47Å; A213-V215 PolarHBondContact O-N 3.37Å
214A47.3Very low46.4Very low95 Ų95132.7 Ų132.779%0.78583%0.834SS**  trans-69.6114.7164.400000108L216A214-L216 PolarHBondContact O-N 3.37Å
215V52.3Low47.1Very low108 Ų108133.7 Ų133.766%0.65584%0.835SS**  trans-87.1100.2171.6-178.10000108A213 W217A213-V215 PolarHBondContact O-N 3.37Å; V215-W217 HydrophobicContact CG1-CG 4.35Å; V215-W217 HydrophobicContact CG1-CZ2 4.5Å
216L51.3Low47.4Very low142 Ų142135.7 Ų135.774%0.74384%0.835SS**  trans-76.5109.4165.8-104.7144.7000108.4A214A214-L216 PolarHBondContact O-N 3.37Å
217W53.9Low48Very low229 Ų229138.5 Ų138.587%0.86784%0.839SS**PPolyproline II helixtrans-92.3116.6164.4-74.9100.4000109.5V215V215-W217 HydrophobicContact CG1-CG 4.35Å; V215-W217 HydrophobicContact CG1-CZ2 4.5Å
218H52.6Low48.5Very low167 Ų167141.3 Ų141.377%0.77385%0.849SS**PPolyproline II helixtrans-69.8135.4174.8-78.7-105.3000110.9
219R44.9Very low48.8Very low241 Ų241138.9 Ų138.991%0.90985%0.853SS**PPolyproline II helixtrans-72.1125.7163.4179.7163.2-177.4155.4-0.7109
220A52.3Low48.6Very low93 Ų93136.1 Ų136.177%0.76985%0.849SS**  trans-119.2131.7169.200000109.5
221G45.6Very low48.6Very low148 Ų148137.2 Ų137.2100%1.52685%0.852SS**  trans62.40154.300000117.1

Retrieved 221 of 221 residues in 214.1 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).