A0A087WQ34_MOUSE Loading...

Mortality factor 4 like 1

AlphaFold DB , UniProt , Accession A0A087WQ34, Species MOUSE (Mus musculus, Mouse), Gene Morf4l1, Length 172 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
1M51.7Low68.3Low243 Ų243124.1 Ų124.1100%1.19765%0.645SS**  0108.90-104.5143.962.200108
2A55.1Low69.9Low89 Ų89126.4 Ų126.474%0.73665%0.65SS**  trans-68.7137.1175.900000109.5K4A2-K4 PolarHBondContact O-N 3.41Å
3P60.5Low71.5Confident118 Ų118125.7 Ų125.777%0.76664%0.642SS**  trans-63.9114174.126.4-30.9000107.7Q5P3-Q5 PolarHBondContact O-N 2.69Å
4K56.2Low72.6Confident177 Ų177119.8 Ų119.877%0.7763%0.628SS**  trans-67.699.1171.9-69.9-179.7175.7132.70106A2 D6A2-K4 PolarHBondContact O-N 3.41Å; K4-D6 PolarHBondContact O-N 3.25Å
5Q65.3Low73.9Confident184 Ų184116.7 Ų116.786%0.8661%0.609SS**  trans-57.5120.5175.4-74.2-179.4-7.400108.6P3P3-Q5 PolarHBondContact O-N 2.69Å
6D66.7Low74.9Confident137 Ų137120.2 Ų120.273%0.73361%0.612SS**  trans-62.4140.8173.7-66.5-68.5000109.8K4 K8K4-D6 PolarHBondContact O-N 3.25Å; D6-K8 PolarHBondContact O-N 3.16Å
7P69.4Low76Confident48 Ų48113.1 Ų113.131%0.31258%0.576SS.*  trans-64.9106.2-178.226.1-33.3000109.6I35 K38 V40P7-I35 HydrophobicContact CG-CG2 4.32Å; P7-K38 HydrophobicContact CG-CB 4.28Å; P7-V40 HydrophobicContact CB-CG2 4.28Å
8K78.9Confident76.9Confident187 Ų187106.8 Ų106.881%0.81354%0.544SS*.  trans-73.7123.2174.8-172.4170.5-175.9170.10109.1D6 K10D6-K8 PolarHBondContact O-N 3.16Å; K8-K10 PolarHBondContact O-N 2.85Å
9P80.1Confident77.8Confident53 Ų53101.2 Ų101.234%0.34452%0.515SS..  trans-60.7133.417924.2-32.7000110.6V33 V40 Y42P9-V33 HydrophobicContact CB-CG1 4.01Å; P9-V40 HydrophobicContact CB-CG1 4.09Å; P9-Y42 WeakPolarHBondContact CA-OH 3.32Å; P9-Y42 WeakPolarHBondContact CB-OH 3.34Å
10K80.1Confident78.4Confident120 Ų12099.4 Ų99.452%0.52250%0.504SS..SBendtrans-76.5-19.2179.6-75.9178.7-164.9150.30114.9K8 Y42 E97 K102K8-K10 PolarHBondContact O-N 2.85Å; K10-Y42 PolarHBondContact N-OH 3.01Å; K10-E97 VanDerWaalsContact CB-OE1 3.23Å; K10-E97 WeakPolarHBondContact CB-OE1 3.42Å; K10-E97 VanDerWaalsContact CD-CD 3.46Å; K10-E97 HydrophobicContact CD-CG 4.23Å; K10-E97 WeakPolarHBondContact CD-OE1 3.37Å; K10-E97 VanDerWaalsContact CE-OE2 3.31Å; K10-E97 WeakPolarHBondContact CE-OE2 3.5Å; K10-E97 WeakPolarHBondContact CG-OE1 3.28Å; K10-E97 IonicContact NZ-OE1 3.83Å; K10-E97 IonicContact NZ-OE2 2.76Å; K10-E97 PolarHBondContact NZ-OE2 3.39Å; K10-K102 WeakPolarHBondContact O-CE 3.01Å; K10-K102 PolarHBondContact O-NZ 3.42Å
11F87.3Confident78.8Confident9 Ų998.1 Ų98.14%0.03950%0.495CS..SBendtrans-129.5149.8-174.1-52.3-85.3000111V17 Y42 E97 V100 K102F11-V17 HydrophobicContact CD1-CG1 3.51Å; F11-V17 HydrophobicContact CE1-CG1 3.86Å; F11-V17 HydrophobicContact CG-CG1 4.21Å; F11-Y42 HydrophobicContact CB-CD1 4.32Å; F11-Y42 HydrophobicContact CB-CE1 3.73Å; F11-Y42 HydrophobicContact CD2-CD2 4.34Å; F11-Y42 HydrophobicContact CD2-CE1 4.1Å; F11-Y42 AromaticContact CD2-CE2 3.74Å; F11-Y42 HydrophobicContact CD2-CE2 3.74Å; F11-Y42 AromaticContact CD2-CZ 3.59Å; F11-Y42 HydrophobicContact CE2-CE2 4.38Å; F11-Y42 HydrophobicContact CG-CE1 4.41Å; F11-Y42 PolarHBondContact N-OH 3.47Å; F11-E97 HydrophobicContact CE2-CG 4.16Å; F11-V100 HydrophobicContact CD2-CG1 4.27Å; F11-V100 HydrophobicContact CE1-CG1 4.17Å; F11-V100 HydrophobicContact CE2-CB 4.09Å; F11-V100 HydrophobicContact CE2-CG1 3.96Å; F11-V100 HydrophobicContact CZ-CB 4.29Å; F11-V100 HydrophobicContact CZ-CG1 3.91Å; F11-V100 WeakPolarHBondContact CZ-O 3.25Å; F11-K102 HydrophobicContact CD1-CG 3.98Å; F11-K102 HydrophobicContact CE1-CB 4.11Å; F11-K102 HydrophobicContact CE1-CD 4.42Å; F11-K102 HydrophobicContact CE1-CG 3.25Å; F11-K102 HydrophobicContact CZ-CG 3.95Å
12Q87.8Confident80.4Confident152 Ų15289.3 Ų89.371%0.7147%0.467SS*.  trans-102.1157.6174.9-61.7-17023.700112.5G14 E15 C30Q12-G14 PolarHBondContact O-N 3.28Å; Q12-E15 PolarHBondContact N-OE2 3.09Å; Q12-E15 VanDerWaalsContact N-OE2 3.09Å; Q12-E15 WeakPolarHBondContact O-CB 3.27Å; Q12-E15 PolarHBondContact O-N 3.13Å; Q12-C30 WeakPolarHBondContact O-CB 3.31Å
13E89.9Confident81.9Confident117 Ų11788.6 Ų88.655%0.54746%0.455SS..THydrogen-bonded Turntrans-61.7134170.4-58.3-173160.900110K32 V33E13-K32 VanDerWaalsContact OE1-CA 3.32Å; E13-K32 WeakPolarHBondContact OE1-CA 3.02Å; E13-V33 HydrophobicContact CG-CB 4.33Å; E13-V33 HydrophobicContact CG-CG2 3.71Å; E13-V33 PolarHBondContact OE1-N 2.9Å
14G88.1Confident83.3Confident43 Ų4384.3 Ų84.344%0.44343%0.426SS..THydrogen-bonded Turntrans88.6-10.2-176.300000115.5Q12 K29 C30Q12-G14 PolarHBondContact O-N 3.28Å; G14-K29 VanDerWaalsContact O-CE 3.25Å; G14-K29 WeakPolarHBondContact O-CE 3.41Å; G14-C30 WeakPolarHBondContact CA-O 3.12Å; G14-C30 PolarHBondContact N-O 3.37Å
15E91.3Very high85Confident74 Ų7476 Ų7635%0.34639%0.389SS..  trans-73144.6-178.4-160.6176.6163.300112Q12 C30Q12-E15 PolarHBondContact N-OE2 3.09Å; Q12-E15 VanDerWaalsContact N-OE2 3.09Å; Q12-E15 WeakPolarHBondContact O-CB 3.27Å; Q12-E15 PolarHBondContact O-N 3.13Å; E15-C30 PolarHBondContact O-N 3.18Å
16R90.9Very high86.2Confident172 Ų17272 Ų7265%0.64937%0.367SS*.EExtended strand (participates in β ladder)trans-78.1131.5171.7-78.9-169.9-75.7-155.7-3.2109.7Y103R16-Y103 HydrophobicContact CB-CD2 4.48Å; R16-Y103 HydrophobicContact CB-CG 4.37Å; R16-Y103 VanDerWaalsContact O-CB 3.28Å; R16-Y103 WeakPolarHBondContact O-CB 3.39Å
17V92.9Very high87.4Confident0 Ų069.1 Ų69.10%035%0.349CS..EExtended strand (participates in β ladder)trans-139.2162.3-175.9-64.30000110.4F11 A28 C30 I44 V100 L101F11-V17 HydrophobicContact CD1-CG1 3.51Å; F11-V17 HydrophobicContact CE1-CG1 3.86Å; F11-V17 HydrophobicContact CG-CG1 4.21Å; V17-A28 HydrophobicContact CG2-CB 4.35Å; V17-A28 WeakPolarHBondContact CG2-O 3.48Å; V17-A28 PolarHBondContact N-O 3.16Å; V17-A28 CarbonylContact O-C 3.53Å; V17-A28 PolarHBondContact O-N 2.96Å; V17-C30 HydrophobicContact CG2-CB 4.5Å; V17-I44 HydrophobicContact CG2-CD1 3.8Å; V17-V100 HydrophobicContact CB-CG1 3.58Å; V17-V100 HydrophobicContact CG1-CG1 3.92Å; V17-V100 HydrophobicContact CG2-CG1 3.69Å; V17-L101 WeakPolarHBondContact CA-O 3.31Å; V17-L101 WeakPolarHBondContact CB-O 3.45Å
18L92.9Very high88.4Confident0 Ų066.9 Ų66.90%034%0.335CS..EExtended strand (participates in β ladder)trans-105.6130.7172.1-67.7170.7000108.2L25 Y26 E27 V100 L101 Y103 N107 L108L18-L25 HydrophobicContact CB-CD2 4.28Å; L18-Y26 CarbonylContact C-O 3.59Å; L18-Y26 WeakPolarHBondContact CA-O 3.45Å; L18-E27 HydrophobicContact CD2-CG 3.84Å; L18-V100 CarbonylContact O-C 3.56Å; L18-V100 WeakPolarHBondContact O-CA 3.48Å; L18-L101 HydrophobicContact CB-CB 4.11Å; L18-L101 PolarHBondContact N-O 2.93Å; L18-L101 PolarHBondContact O-N 3.23Å; L18-Y103 HydrophobicContact CD2-CD2 4.19Å; L18-Y103 HydrophobicContact CD2-CE2 4.39Å; L18-Y103 HydrophobicContact CG-CD2 4.18Å; L18-N107 HydrophobicContact CD1-CB 3.77Å; L18-L108 HydrophobicContact CD1-CD1 4.12Å
19C92.8Very high89Confident0 Ų062.9 Ų62.90%032%0.317CS..EExtended strand (participates in β ladder)trans-121.1134.8-179.1-172.40000110.8H21 Y26 A28 I44 Y46 R99C19-H21 PolarHBondContact O-N 3.27Å; C19-Y26 PolarHBondContact N-O 2.89Å; C19-Y26 PolarHBondContact O-N 3.08Å; C19-A28 HydrophobicContact CB-CB 4.12Å; C19-I44 HydrophobicContact CB-CG2 4.04Å; C19-Y46 HydrophobicContact CB-CD1 4.48Å; C19-Y46 HydrophobicContact CB-CE1 3.68Å; C19-Y46 PolarHBondContact SG-OH 3.38Å; C19-R99 WeakPolarHBondContact CA-O 3.28Å
20F90.4Very high89.6Confident65 Ų6560.4 Ų60.429%0.28530%0.301SS..EExtended strand (participates in β ladder)trans-70.1126.1175-80.5-75.7000110.7L25 R99 L101 L114F20-L25 HydrophobicContact CB-CD2 4.34Å; F20-L25 HydrophobicContact CD1-CD2 3.57Å; F20-L25 HydrophobicContact CD1-CG 3.78Å; F20-L25 HydrophobicContact CD2-CD2 3.66Å; F20-L25 HydrophobicContact CE1-CD1 4.06Å; F20-L25 HydrophobicContact CE1-CD2 3.67Å; F20-L25 HydrophobicContact CE1-CG 3.57Å; F20-L25 HydrophobicContact CE2-CD2 3.77Å; F20-L25 HydrophobicContact CE2-CG 4.45Å; F20-L25 HydrophobicContact CG-CD2 3.56Å; F20-L25 HydrophobicContact CG-CG 4.31Å; F20-L25 HydrophobicContact CZ-CD1 4.02Å; F20-L25 HydrophobicContact CZ-CD2 3.76Å; F20-L25 HydrophobicContact CZ-CG 3.94Å; F20-R99 HydrophobicContact CB-CG 3.85Å; F20-R99 PolarHBondContact N-O 3.35Å; F20-R99 PolarHBondContact O-NE 3.49Å; F20-R99 PolarHBondContact O-NH2 2.95Å; F20-L101 HydrophobicContact CD2-CD1 3.99Å; F20-L101 HydrophobicContact CE2-CD1 3.52Å; F20-L101 HydrophobicContact CE2-CD2 4.12Å; F20-L101 HydrophobicContact CE2-CG 4.49Å; F20-L101 HydrophobicContact CZ-CD2 4.45Å; F20-L114 HydrophobicContact CE1-CD1 3.7Å; F20-L114 HydrophobicContact CZ-CD1 4.41Å
21H86.4Confident90.1Very high72 Ų7257.4 Ų57.433%0.33329%0.293SS..EExtended strand (participates in β ladder)trans-133.2107.4169.5-174.679.6000108.7C19 L24 Y26 Y46C19-H21 PolarHBondContact O-N 3.27Å; H21-L24 PolarHBondContact N-O 2.98Å; H21-L24 PolarHBondContact O-N 3.4Å; H21-Y26 HydrophobicContact CB-CD2 3.59Å; H21-Y26 HydrophobicContact CB-CE2 3.81Å; H21-Y46 HydrophobicContact CB-CE1 4.22Å
22G85.5Confident90.2Very high58 Ų5862.6 Ų62.660%0.59832%0.315SS*.THydrogen-bonded Turntrans59.9-134.7-169.300000111.5L24G22-L24 VanDerWaalsContact C-N 3.27Å; G22-L24 PolarHBondContact O-N 3Å
23P87.4Confident90.4Very high74 Ų7457 Ų5748%0.48129%0.292SS..THydrogen-bonded Turntrans-79.9-4.2-177.831.6-33000114.1N118P23-N118 WeakPolarHBondContact CG-ND2 3.38Å
24L90.1Very high90.4Very high29 Ų2953.1 Ų53.115%0.15228%0.279CS..EExtended strand (participates in β ladder)trans-118.7158.1-172.4-62.8179000112.2H21 G22 Y26 L114 Q115 N118H21-L24 PolarHBondContact N-O 2.98Å; H21-L24 PolarHBondContact O-N 3.4Å; G22-L24 VanDerWaalsContact C-N 3.27Å; G22-L24 PolarHBondContact O-N 3Å; L24-Y26 HydrophobicContact CB-CD2 4.41Å; L24-Y26 HydrophobicContact CB-CE2 3.73Å; L24-L114 HydrophobicContact CD2-CB 4.32Å; L24-Q115 HydrophobicContact CD2-CB 4.43Å; L24-Q115 HydrophobicContact CD2-CG 3.96Å; L24-N118 HydrophobicContact CD2-CB 3.79Å
25L91.6Very high90.4Very high1 Ų155.6 Ų55.61%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-98131.5170.5-81169.3000109.9L18 F20 L101 K110 Q111 L114L18-L25 HydrophobicContact CB-CD2 4.28Å; F20-L25 HydrophobicContact CB-CD2 4.34Å; F20-L25 HydrophobicContact CD1-CD2 3.57Å; F20-L25 HydrophobicContact CD1-CG 3.78Å; F20-L25 HydrophobicContact CD2-CD2 3.66Å; F20-L25 HydrophobicContact CE1-CD1 4.06Å; F20-L25 HydrophobicContact CE1-CD2 3.67Å; F20-L25 HydrophobicContact CE1-CG 3.57Å; F20-L25 HydrophobicContact CE2-CD2 3.77Å; F20-L25 HydrophobicContact CE2-CG 4.45Å; F20-L25 HydrophobicContact CG-CD2 3.56Å; F20-L25 HydrophobicContact CG-CG 4.31Å; F20-L25 HydrophobicContact CZ-CD1 4.02Å; F20-L25 HydrophobicContact CZ-CD2 3.76Å; F20-L25 HydrophobicContact CZ-CG 3.94Å; L25-L101 HydrophobicContact CD1-CD2 4.21Å; L25-K110 HydrophobicContact CD1-CB 4.27Å; L25-Q111 HydrophobicContact CB-CB 3.92Å; L25-Q111 HydrophobicContact CB-CG 3.94Å; L25-Q111 HydrophobicContact CD1-CB 4.25Å; L25-Q111 WeakPolarHBondContact O-CG 3.39Å; L25-Q111 PolarHBondContact O-NE2 3.34Å; L25-L114 HydrophobicContact CD1-CD1 3.82Å; L25-L114 HydrophobicContact CG-CD1 3.93Å
26Y89.8Confident90.2Very high101 Ų10158.3 Ų58.340%0.39629%0.292SS..EExtended strand (participates in β ladder)trans-117.3149.3176.3-67.5-92.4000110.7L18 C19 H21 L24L18-Y26 CarbonylContact C-O 3.59Å; L18-Y26 WeakPolarHBondContact CA-O 3.45Å; C19-Y26 PolarHBondContact N-O 2.89Å; C19-Y26 PolarHBondContact O-N 3.08Å; H21-Y26 HydrophobicContact CB-CD2 3.59Å; H21-Y26 HydrophobicContact CB-CE2 3.81Å; L24-Y26 HydrophobicContact CB-CD2 4.41Å; L24-Y26 HydrophobicContact CB-CE2 3.73Å
27E91.1Very high89.8Confident76 Ų7656.4 Ų56.436%0.35530%0.295SS..EExtended strand (participates in β ladder)trans-70.8136.1171.6-63.6-176.3179.300110.1L18 S47 Y103L18-E27 HydrophobicContact CD2-CG 3.84Å; E27-S47 VanDerWaalsContact C-OG 3.26Å; E27-S47 PolarHBondContact O-N 3.19Å; E27-S47 PolarHBondContact O-OG 3.06Å; E27-Y103 HydrophobicContact CG-CE2 4.2Å
28A92Very high89.4Confident1 Ų163.5 Ų63.51%0.00833%0.326CS..EExtended strand (participates in β ladder)trans-148.2165.8179.200000111.1V17 C19 I44 H45 Y46 S47V17-A28 HydrophobicContact CG2-CB 4.35Å; V17-A28 WeakPolarHBondContact CG2-O 3.48Å; V17-A28 PolarHBondContact N-O 3.16Å; V17-A28 CarbonylContact O-C 3.53Å; V17-A28 PolarHBondContact O-N 2.96Å; C19-A28 HydrophobicContact CB-CB 4.12Å; A28-I44 HydrophobicContact CB-CG2 3.26Å; A28-H45 CarbonylContact C-O 3.5Å; A28-H45 VanDerWaalsContact CA-O 3.28Å; A28-H45 WeakPolarHBondContact CA-O 3.23Å; A28-H45 WeakPolarHBondContact CB-O 3.32Å; A28-Y46 HydrophobicContact CB-CD1 4.06Å; A28-Y46 HydrophobicContact CB-CG 4.44Å; A28-S47 PolarHBondContact N-OG 2.8Å
29K91.1Very high88.9Confident104 Ų10469.3 Ų69.345%0.45235%0.353SS..EExtended strand (participates in β ladder)trans-115.3131.4176.3-168.7172.8-179.8178.80109G14 V31 H45G14-K29 VanDerWaalsContact O-CE 3.25Å; G14-K29 WeakPolarHBondContact O-CE 3.41Å; K29-V31 PolarHBondContact O-N 2.94Å; K29-H45 PolarHBondContact N-O 2.66Å; K29-H45 PolarHBondContact O-N 2.9Å
30C91.9Very high88.8Confident0 Ų070 Ų700%036%0.357CS..EExtended strand (participates in β ladder)trans-71115.5169-175.30000108.3Q12 G14 E15 V17 I44Q12-C30 WeakPolarHBondContact O-CB 3.31Å; G14-C30 WeakPolarHBondContact CA-O 3.12Å; G14-C30 PolarHBondContact N-O 3.37Å; E15-C30 PolarHBondContact O-N 3.18Å; V17-C30 HydrophobicContact CG2-CB 4.5Å; C30-I44 HydrophobicContact CB-CD1 4.2Å
31V91Very high88.8Confident58 Ų5870.7 Ų70.735%0.35236%0.36SS..EExtended strand (participates in β ladder)trans-93.8-44.2-179.1179.60000110.4K29 F43 H45K29-V31 PolarHBondContact O-N 2.94Å; V31-F43 HydrophobicContact CB-CD1 3.83Å; V31-F43 HydrophobicContact CG1-CD1 3.94Å; V31-F43 HydrophobicContact CG1-CE1 4.49Å; V31-F43 PolarHBondContact N-O 2.8Å; V31-H45 HydrophobicContact CG2-CB 3.41Å; V31-H45 VanDerWaalsContact CG2-CB 3.41Å
32K89.4Confident89.1Confident117 Ų11767.2 Ų67.251%0.50934%0.344SS..EExtended strand (participates in β ladder)trans-142.2151.2179.3-71.9178.1179.5177.20112.1E13 F43 W94E13-K32 VanDerWaalsContact OE1-CA 3.32Å; E13-K32 WeakPolarHBondContact OE1-CA 3.02Å; K32-F43 HydrophobicContact CB-CB 3.8Å; K32-F43 PolarHBondContact N-O 2.87Å; K32-F43 PolarHBondContact O-N 2.8Å; K32-W94 HydrophobicContact CB-CH2 4.08Å
33V91.4Very high89.4Confident35 Ų3566.5 Ų66.521%0.21232%0.324CS..EExtended strand (participates in β ladder)trans-115.8126.7172.1-172.20000109.4P9 E13 V40 Y42P9-V33 HydrophobicContact CB-CG1 4.01Å; E13-V33 HydrophobicContact CG-CB 4.33Å; E13-V33 HydrophobicContact CG-CG2 3.71Å; E13-V33 PolarHBondContact OE1-N 2.9Å; V33-V40 HydrophobicContact CG1-CG1 3.69Å; V33-Y42 HydrophobicContact CB-CD1 4.25Å; V33-Y42 HydrophobicContact CB-CE1 4.11Å; V33-Y42 HydrophobicContact CG1-CD1 4.02Å; V33-Y42 HydrophobicContact CG1-CE1 3.55Å; V33-Y42 HydrophobicContact CG2-CD1 3.68Å; V33-Y42 HydrophobicContact CG2-CE1 3.53Å
34A89.6Confident89.6Confident35 Ų3563 Ų6329%0.28930%0.302SS..EExtended strand (participates in β ladder)trans-124.8130.9174.200000110.2K41 W94A34-K41 PolarHBondContact N-O 3.39Å; A34-K41 PolarHBondContact O-N 2.78Å; A34-K41 VanDerWaalsContact O-O 3.13Å; A34-W94 HydrophobicContact CB-CE3 4.42Å; A34-W94 HydrophobicContact CB-CH2 3.66Å; A34-W94 HydrophobicContact CB-CZ3 3.47Å; A34-W94 VanDerWaalsContact CB-CZ3 3.47Å
35I89.7Confident89.5Confident95 Ų9564.1 Ų64.149%0.48731%0.306SS..EExtended strand (participates in β ladder)trans-106.5110.8175.2-51.9178.4000107.3P7 Q39 V40P7-I35 HydrophobicContact CG-CG2 4.32Å; I35-Q39 WeakPolarHBondContact CA-O 3.39Å; I35-V40 HydrophobicContact CG1-CG1 4.33Å; I35-V40 HydrophobicContact CG1-CG2 4.24Å
36K85.9Confident89.3Confident132 Ų13265.3 Ų65.357%0.57431%0.31SS*.EExtended strand (participates in β ladder)trans-127.9132.9180-160.7-172.5175.1174.50109.5K38 Q39K36-K38 PolarHBondContact O-N 2.86Å; K36-K38 VanDerWaalsContact O-N 3.16Å; K36-Q39 PolarHBondContact N-O 3.41Å; K36-Q39 WeakPolarHBondContact O-CA 3.23Å; K36-Q39 WeakPolarHBondContact O-CB 3.39Å; K36-Q39 PolarHBondContact O-N 3.45Å
37D83.9Confident88.5Confident132 Ų13262.9 Ų62.971%0.70631%0.308SS*.THydrogen-bonded Turntrans55.533.8177.5-52.7-56.5000113.7Q39D37-Q39 PolarHBondContact O-N 2.87Å
38K82.8Confident87.2Confident149 Ų14963.1 Ų63.165%0.64833%0.331SS*.THydrogen-bonded Turntrans61.815.8-171.6-51.7175.5-178.7177.50114.6P7 K36P7-K38 HydrophobicContact CG-CB 4.28Å; K36-K38 PolarHBondContact O-N 2.86Å; K36-K38 VanDerWaalsContact O-N 3.16Å
39Q84.2Confident85.4Confident122 Ų12271.9 Ų71.957%0.5736%0.364SS*.EExtended strand (participates in β ladder)trans-106.8131.1170.6-63.1-176.2-10.800109.7I35 K36 D37I35-Q39 WeakPolarHBondContact CA-O 3.39Å; K36-Q39 PolarHBondContact N-O 3.41Å; K36-Q39 WeakPolarHBondContact O-CA 3.23Å; K36-Q39 WeakPolarHBondContact O-CB 3.39Å; K36-Q39 PolarHBondContact O-N 3.45Å; D37-Q39 PolarHBondContact O-N 2.87Å
40V89.3Confident83.4Confident14 Ų1471.8 Ų71.89%0.08537%0.368CS..EExtended strand (participates in β ladder)trans-86.8125.3173.5-167.10000108.8P7 P9 V33 I35 Y42 E97P7-V40 HydrophobicContact CB-CG2 4.28Å; P9-V40 HydrophobicContact CB-CG1 4.09Å; V33-V40 HydrophobicContact CG1-CG1 3.69Å; I35-V40 HydrophobicContact CG1-CG1 4.33Å; I35-V40 HydrophobicContact CG1-CG2 4.24Å; V40-Y42 HydrophobicContact CB-CE2 4.17Å; V40-Y42 HydrophobicContact CG1-CD2 4.32Å; V40-Y42 HydrophobicContact CG1-CE1 3.97Å; V40-Y42 HydrophobicContact CG1-CE2 3.56Å; V40-Y42 WeakPolarHBondContact CG1-OH 3.43Å; V40-E97 PolarHBondContact O-N 2.84Å
41K90.9Very high81.4Confident79 Ų7978.9 Ų78.934%0.34340%0.4SS..EExtended strand (participates in β ladder)trans-115.3138.6173.5-67.6-177.5179.21780108.8A34 W94A34-K41 PolarHBondContact N-O 3.39Å; A34-K41 PolarHBondContact O-N 2.78Å; A34-K41 VanDerWaalsContact O-O 3.13Å; K41-W94 HydrophobicContact CB-CE3 3.97Å; K41-W94 HydrophobicContact CB-CZ3 4.46Å
42Y91.9Very high79.5Confident0 Ų082.5 Ų82.50%042%0.417CS..EExtended strand (participates in β ladder)trans-113.7130.7179.8-65.3-76.9000108.6P9 K10 F11 V33 V40 I44 W94 V95 E97 V100P9-Y42 WeakPolarHBondContact CA-OH 3.32Å; P9-Y42 WeakPolarHBondContact CB-OH 3.34Å; K10-Y42 PolarHBondContact N-OH 3.01Å; F11-Y42 HydrophobicContact CB-CD1 4.32Å; F11-Y42 HydrophobicContact CB-CE1 3.73Å; F11-Y42 HydrophobicContact CD2-CD2 4.34Å; F11-Y42 HydrophobicContact CD2-CE1 4.1Å; F11-Y42 AromaticContact CD2-CE2 3.74Å; F11-Y42 HydrophobicContact CD2-CE2 3.74Å; F11-Y42 AromaticContact CD2-CZ 3.59Å; F11-Y42 HydrophobicContact CE2-CE2 4.38Å; F11-Y42 HydrophobicContact CG-CE1 4.41Å; F11-Y42 PolarHBondContact N-OH 3.47Å; V33-Y42 HydrophobicContact CB-CD1 4.25Å; V33-Y42 HydrophobicContact CB-CE1 4.11Å; V33-Y42 HydrophobicContact CG1-CD1 4.02Å; V33-Y42 HydrophobicContact CG1-CE1 3.55Å; V33-Y42 HydrophobicContact CG2-CD1 3.68Å; V33-Y42 HydrophobicContact CG2-CE1 3.53Å; V40-Y42 HydrophobicContact CB-CE2 4.17Å; V40-Y42 HydrophobicContact CG1-CD2 4.32Å; V40-Y42 HydrophobicContact CG1-CE1 3.97Å; V40-Y42 HydrophobicContact CG1-CE2 3.56Å; V40-Y42 WeakPolarHBondContact CG1-OH 3.43Å; Y42-I44 PolarHBondContact O-N 3.26Å; Y42-W94 WeakPolarHBondContact O-CA 3.34Å; Y42-V95 PolarHBondContact N-O 2.86Å; Y42-V95 PolarHBondContact O-N 2.84Å; Y42-E97 HydrophobicContact CD2-CB 4.28Å; Y42-E97 HydrophobicContact CE2-CB 3.78Å; Y42-E97 HydrophobicContact CE2-CG 3.84Å; Y42-V100 HydrophobicContact CD2-CG2 4.49Å
43F92.1Very high77.6Confident43 Ų4381.8 Ų81.819%0.18943%0.433CS..EExtended strand (participates in β ladder)trans-83.6109.6168.6-163.7-119.2000107.3V31 K32 D92 W94V31-F43 HydrophobicContact CB-CD1 3.83Å; V31-F43 HydrophobicContact CG1-CD1 3.94Å; V31-F43 HydrophobicContact CG1-CE1 4.49Å; V31-F43 PolarHBondContact N-O 2.8Å; K32-F43 HydrophobicContact CB-CB 3.8Å; K32-F43 PolarHBondContact N-O 2.87Å; K32-F43 PolarHBondContact O-N 2.8Å; F43-D92 HydrophobicContact CE1-CB 3.83Å; F43-D92 HydrophobicContact CE2-CB 4.09Å; F43-D92 HydrophobicContact CZ-CB 3.42Å; F43-D92 VanDerWaalsContact CZ-CB 3.42Å; F43-W94 HydrophobicContact CB-CD2 4.08Å; F43-W94 HydrophobicContact CB-CE3 3.88Å; F43-W94 HydrophobicContact CB-CH2 3.85Å; F43-W94 HydrophobicContact CB-CZ2 4.02Å; F43-W94 HydrophobicContact CB-CZ3 3.77Å; F43-W94 AromaticContact CD2-CD1 3.65Å; F43-W94 AromaticContact CD2-CD2 3.66Å; F43-W94 HydrophobicContact CD2-CD2 3.66Å; F43-W94 AromaticContact CD2-CE2 3.47Å; F43-W94 VanDerWaalsContact CD2-CE2 3.47Å; F43-W94 HydrophobicContact CD2-CE3 4.33Å; F43-W94 AromaticContact CD2-CG 3.8Å; F43-W94 HydrophobicContact CD2-CG 3.8Å; F43-W94 HydrophobicContact CD2-CZ2 4.03Å; F43-W94 AromaticContact CD2-NE1 3.44Å; F43-W94 AromaticContact CE2-CD1 3.9Å; F43-W94 HydrophobicContact CE2-CG 4.44Å; F43-W94 AromaticContact CE2-NE1 3.72Å; F43-W94 HydrophobicContact CG-CD2 4.31Å; F43-W94 HydrophobicContact CG-CH2 4.5Å; F43-W94 HydrophobicContact CG-CZ2 4.18Å
44I91.8Very high75.5Confident0 Ų085.8 Ų85.80%046%0.457CS..EExtended strand (participates in β ladder)trans-107.3129.4-172-64.5-57.6000109.4V17 C19 A28 C30 Y42 D92 E93 V95 V100V17-I44 HydrophobicContact CG2-CD1 3.8Å; C19-I44 HydrophobicContact CB-CG2 4.04Å; A28-I44 HydrophobicContact CB-CG2 3.26Å; C30-I44 HydrophobicContact CB-CD1 4.2Å; Y42-I44 PolarHBondContact O-N 3.26Å; I44-D92 WeakPolarHBondContact O-CA 3.33Å; I44-E93 PolarHBondContact N-O 2.84Å; I44-E93 PolarHBondContact O-N 2.81Å; I44-V95 HydrophobicContact CB-CG2 3.96Å; I44-V95 HydrophobicContact CD1-CG2 4.45Å; I44-V95 HydrophobicContact CG1-CG2 3.23Å; I44-V100 HydrophobicContact CD1-CG1 4.21Å; I44-V100 HydrophobicContact CD1-CG2 3.99Å; I44-V100 HydrophobicContact CG1-CG2 3.89Å
45H89Confident73Confident53 Ų5394.7 Ų94.725%0.24548%0.483CS..EExtended strand (participates in β ladder)trans-107.5114.9171.2174.775.1000109.2A28 K29 V31 S47 S89 D92A28-H45 CarbonylContact C-O 3.5Å; A28-H45 VanDerWaalsContact CA-O 3.28Å; A28-H45 WeakPolarHBondContact CA-O 3.23Å; A28-H45 WeakPolarHBondContact CB-O 3.32Å; K29-H45 PolarHBondContact N-O 2.66Å; K29-H45 PolarHBondContact O-N 2.9Å; V31-H45 HydrophobicContact CG2-CB 3.41Å; V31-H45 VanDerWaalsContact CG2-CB 3.41Å; H45-S47 PolarHBondContact O-N 3Å; H45-S89 PolarHBondContact CE1-OG 2.92Å; H45-D92 IonicContact CE1-OD1 3.67Å; H45-D92 IonicContact CG-OD1 3.53Å; H45-D92 IonicContact ND1-OD1 2.66Å; H45-D92 PolarHBondContact ND1-OD1 2.94Å; H45-D92 IonicContact ND1-OD2 3.77Å
46Y86.4Confident70.7Confident25 Ų2595.1 Ų95.110%0.09849%0.492CS..EExtended strand (participates in β ladder)trans-69.6121.6179.1-66.6-88.3000111C19 H21 A28 W91C19-Y46 HydrophobicContact CB-CD1 4.48Å; C19-Y46 HydrophobicContact CB-CE1 3.68Å; C19-Y46 PolarHBondContact SG-OH 3.38Å; H21-Y46 HydrophobicContact CB-CE1 4.22Å; A28-Y46 HydrophobicContact CB-CD1 4.06Å; A28-Y46 HydrophobicContact CB-CG 4.44Å; Y46-W91 HydrophobicContact CD2-CB 4.19Å; Y46-W91 VanDerWaalsContact CD2-O 3.23Å; Y46-W91 WeakPolarHBondContact CD2-O 3.46Å
47S73.6Confident68.5Low50 Ų50100.2 Ų100.235%0.3551%0.508SS..THydrogen-bonded Turntrans-91.8120.9175.9530000108.9E27 A28 H45E27-S47 VanDerWaalsContact C-OG 3.26Å; E27-S47 PolarHBondContact O-N 3.19Å; E27-S47 PolarHBondContact O-OG 3.06Å; A28-S47 PolarHBondContact N-OG 2.8Å; H45-S47 PolarHBondContact O-N 3Å
48G63.1Low66.6Low81 Ų81105.7 Ų105.784%0.83552%0.519SS*.THydrogen-bonded Turntrans131.5-7.5177.500000115.3
49W55Low64.5Low185 Ų185103.5 Ų103.570%0.70152%0.522SS*.  trans-94.30.9175.2-161-89.7000114.3W91W49-W91 AromaticContact CD1-CD1 3.81Å; W49-W91 AromaticContact CD1-CE2 3.96Å; W49-W91 AromaticContact CD1-NE1 3.14Å; W49-W91 HydrophobicContact CD2-CZ2 4.35Å; W49-W91 AromaticContact CE2-CZ2 3.94Å; W49-W91 AromaticContact CG-NE1 3.65Å; W49-W91 HydrophobicContact CZ2-CZ2 4.24Å; W49-W91 AromaticContact NE1-CE2 3.96Å; W49-W91 AromaticContact NE1-CZ2 3.98Å; W49-W91 AromaticContact NE1-NE1 3.45Å
50N48.6Very low62.9Low102 Ų102106.8 Ų106.855%0.54554%0.537SS..SBendtrans-109.9100.3-179.4-131.2-14.5000113.4N52N50-N52 PolarHBondContact O-N 3.13Å
51K50.1Low60.8Low150 Ų150115.5 Ų115.565%0.65257%0.574SS**SBendtrans46.956.9133.9-56-179.8-170.4-169.10120.3
52N50.5Low58.8Low134 Ų134115.1 Ų115.172%0.71758%0.581SS**  trans-12313.1152.2-77.672.1000114N50 V54N50-N52 PolarHBondContact O-N 3.13Å; N52-V54 PolarHBondContact O-N 3.05Å; N52-V54 VanDerWaalsContact O-N 3.12Å
53A50.3Low56.9Low102 Ų102121.8 Ų121.884%0.84362%0.616SS**SBendtrans-79.328.3169.300000113.5
54V46.2Very low54.9Low119 Ų119128.1 Ų128.172%0.72164%0.644SS**  trans-15090.5157.4-169.60000106.8N52 P56N52-V54 PolarHBondContact O-N 3.05Å; N52-V54 VanDerWaalsContact O-N 3.12Å; V54-P56 HydrophobicContact CG1-CG 4.31Å; V54-P56 VanDerWaalsContact O-CD 3.31Å; V54-P56 WeakPolarHBondContact O-CD 3.07Å
55R38.2Very low53Low221 Ų221131.8 Ų131.883%0.83467%0.666SS**  trans-75.9113147.3-67.5-170.1-160.3-108.84.3104.4R57R55-R57 PolarHBondContact O-N 3.21Å; R55-R57 VanDerWaalsContact O-N 3.15Å
56P40.6Very low51.1Low105 Ų105139.8 Ų139.868%0.68269%0.694SS**  trans-61.5124.4173.2-14.829.3000106.9V54 R58V54-P56 HydrophobicContact CG1-CG 4.31Å; V54-P56 VanDerWaalsContact O-CD 3.31Å; V54-P56 WeakPolarHBondContact O-CD 3.07Å; P56-R58 PolarHBondContact O-N 3.1Å; P56-R58 VanDerWaalsContact O-N 3.14Å
57R39.7Very low49.3Very low239 Ų239145.9 Ų145.990%0.90272%0.724SS**  trans-53.2123.2162.6-179.3172.8173.1-164.9-2.3106.3R55 S59R55-R57 PolarHBondContact O-N 3.21Å; R55-R57 VanDerWaalsContact O-N 3.15Å; R57-S59 PolarHBondContact O-N 2.76Å
58R45Very low48.2Very low247 Ų247146.9 Ų146.993%0.93273%0.725SS**SBendtrans-53.295.7-174.6-170.6-177-161-175.94.8111.3P56P56-R58 PolarHBondContact O-N 3.1Å; P56-R58 VanDerWaalsContact O-N 3.14Å
59S38.6Very low47.8Very low102 Ų102149.5 Ų149.571%0.71372%0.718SS**  trans-153.894.5150.559.40000108.4R57 K61R57-S59 PolarHBondContact O-N 2.76Å; S59-K61 PolarHBondContact O-N 3.41Å
60E50.4Low47.5Very low191 Ų191144.9 Ų144.989%0.89371%0.71SS**  trans20102.5139.1-144.9147.682.500114.5
61K45.4Very low47.6Very low197 Ų197144 Ų14486%0.85772%0.717SS**  -150.2142.278-77.5162.3-171.6-178.10111S59 L63S59-K61 PolarHBondContact O-N 3.41Å; K61-L63 PolarHBondContact O-N 3.25Å
62S47.9Very low47.7Very low71 Ų71143.5 Ų143.550%0.49772%0.721SS.*  trans-84.492-164.6174.20000111.6K64S62-K64 VanDerWaalsContact C-N 3.3Å; S62-K64 PolarHBondContact O-N 3.21Å; S62-K64 VanDerWaalsContact O-N 3.13Å; S62-K64 WeakPolarHBondContact OG-CD 3.11Å; S62-K64 WeakPolarHBondContact OG-CE 3.41Å; S62-K64 WeakPolarHBondContact OG-CG 2.98Å; S62-K64 PolarHBondContact OG-NZ 2.73Å
63L51.8Low47.3Very low140 Ų140144.9 Ų144.973%0.73372%0.721SS**  trans-80.485.9161-61174.2000107.4K61 D68K61-L63 PolarHBondContact O-N 3.25Å; L63-D68 HydrophobicContact CB-CB 4.49Å; L63-D68 HydrophobicContact CD2-CB 3.95Å
64K50Low47.2Very low177 Ų177146.2 Ų146.277%0.7772%0.721SS**  trans-120.712.8-175.3-71.3-178.1-158.5157.30113.1S62S62-K64 VanDerWaalsContact C-N 3.3Å; S62-K64 PolarHBondContact O-N 3.21Å; S62-K64 VanDerWaalsContact O-N 3.13Å; S62-K64 WeakPolarHBondContact OG-CD 3.11Å; S62-K64 WeakPolarHBondContact OG-CE 3.41Å; S62-K64 WeakPolarHBondContact OG-CG 2.98Å; S62-K64 PolarHBondContact OG-NZ 2.73Å
65T52.4Low47.4Very low76 Ų76145 Ų14547%0.46671%0.713SS.*SBendtrans-121136.7-175.97.20000110.1E67 D68T65-E67 PolarHBondContact O-N 2.97Å; T65-D68 PolarHBondContact O-N 3.34Å; T65-D68 PolarHBondContact OG1-OD2 2.96Å
66R48.6Very low47.6Very low221 Ų221139.4 Ų139.483%0.83471%0.706SS**Hα-helixtrans-56-19.3-178.5-167.4173.5170.4-164.2-4112.4V70R66-V70 VanDerWaalsContact O-CG2 3.27Å; R66-V70 WeakPolarHBondContact O-CG2 3.47Å
67E48.8Very low47.8Very low154 Ų154144.3 Ų144.372%0.7272%0.72SS**Hα-helixtrans-73.6-34.7177.5-56.7-177125.400112.7T65 I69 V70 A71T65-E67 PolarHBondContact O-N 2.97Å; E67-I69 VanDerWaalsContact C-N 3.31Å; E67-I69 PolarHBondContact O-N 3.27Å; E67-V70 PolarHBondContact O-N 3.49Å; E67-A71 PolarHBondContact O-N 2.77Å
68D51Low48.4Very low71 Ų71136.6 Ų136.638%0.3872%0.715SS.*Hα-helixtrans-70.1-27.5179.4-73.7-63000113L63 T65L63-D68 HydrophobicContact CB-CB 4.49Å; L63-D68 HydrophobicContact CD2-CB 3.95Å; T65-D68 PolarHBondContact O-N 3.34Å; T65-D68 PolarHBondContact OG1-OD2 2.96Å
69I54.3Low48.6Very low136 Ų136128 Ų12870%0.69770%0.696SS**Hα-helixtrans-75.4-32.8176.8-62.1175.6000110.7E67 A71E67-I69 VanDerWaalsContact C-N 3.31Å; E67-I69 PolarHBondContact O-N 3.27Å; I69-A71 VanDerWaalsContact C-N 3.31Å
70V49Very low48.7Very low88 Ų88128.4 Ų128.453%0.53370%0.696SS.*Hα-helixtrans-76.1-22.5-177.5179.80000111.4R66 E67 L72 F73R66-V70 VanDerWaalsContact O-CG2 3.27Å; R66-V70 WeakPolarHBondContact O-CG2 3.47Å; E67-V70 PolarHBondContact O-N 3.49Å; V70-L72 PolarHBondContact O-N 3.09Å; V70-L72 VanDerWaalsContact O-N 3.13Å; V70-F73 PolarHBondContact O-N 3.32Å; V70-F73 VanDerWaalsContact O-O 3.11Å
71A50.6Low48.6Very low83 Ų83125.1 Ų125.169%0.68670%0.695SS**THydrogen-bonded Turntrans-67.1-11.1-179.700000115.3E67 I69E67-A71 PolarHBondContact O-N 2.77Å; I69-A71 VanDerWaalsContact C-N 3.31Å
72L52.5Low48.6Very low140 Ų140121 Ų12173%0.73369%0.686SS**THydrogen-bonded Turntrans-85.5-15177.5-77.9162.2000113.8V70V70-L72 PolarHBondContact O-N 3.09Å; V70-L72 VanDerWaalsContact O-N 3.13Å
73F42.3Very low48.5Very low163 Ų163125.7 Ų125.772%0.71570%0.7SS**SBendtrans-142.5107.6177.9-75.3-87.8000109.7V70 V75V70-F73 PolarHBondContact O-N 3.32Å; V70-F73 VanDerWaalsContact O-O 3.11Å; F73-V75 PolarHBondContact O-N 2.94Å; F73-V75 VanDerWaalsContact O-N 3.09Å
74P48.6Very low48.1Very low129 Ų129125.9 Ų125.984%0.83870%0.696SS**  trans-65.2113.7174.7-9.623.7000108.7
75V49.2Very low48Very low93 Ų93122 Ų12256%0.56469%0.689SS**PPolyproline II helixtrans-86122.3173.7177.60000107.9F73F73-V75 PolarHBondContact O-N 2.94Å; F73-V75 VanDerWaalsContact O-N 3.09Å
76P43.8Very low47.6Very low105 Ų105125.9 Ų125.968%0.68271%0.706SS**PPolyproline II helixtrans-68.2133.8175.526.2-31.3000110.9G78P76-G78 PolarHBondContact O-N 3.28Å
77E44.7Very low47.7Very low207 Ų207121.6 Ų121.697%0.96770%0.699SS**THydrogen-bonded Turntrans-59.3118.4176.5-83.1-17311800110.7
78G52.4Low47.5Very low78 Ų78118.8 Ų118.880%0.80469%0.693SS**THydrogen-bonded Turntrans136.1-6.3179.200000115P76P76-G78 PolarHBondContact O-N 3.28Å
79A47.5Very low47.6Very low65 Ų65117.8 Ų117.854%0.53769%0.691SS.*  trans-78.2126.917900000111.9S81A79-S81 PolarHBondContact O-N 2.71Å
80P41.3Very low47.7Very low111 Ų111116.2 Ų116.272%0.72169%0.692SS**  trans-62.3134.3174.226.5-32.9000109.3V82P80-V82 VanDerWaalsContact C-N 3.29Å; P80-V82 PolarHBondContact O-N 3.33Å
81S48.7Very low48.9Very low123 Ų123116.9 Ų116.986%0.8669%0.685SS**  trans-49.882.7-176-1800000113.1A79 H83A79-S81 PolarHBondContact O-N 2.71Å; S81-H83 PolarHBondContact O-N 3.15Å; S81-H83 VanDerWaalsContact O-N 3.16Å
82V45.3Very low50.5Low109 Ų109115.8 Ų115.866%0.66167%0.668SS**  trans-74.2104.2167.7-87.50000106.9P80 H84P80-V82 VanDerWaalsContact C-N 3.29Å; P80-V82 PolarHBondContact O-N 3.33Å; V82-H84 PolarHBondContact O-CD2 3.41Å; V82-H84 PolarHBondContact O-N 3.39Å
83H45.6Very low52.3Low171 Ų171113.3 Ų113.379%0.79265%0.652SS**  trans-43.7102.9166.2-135.3-99.4000108S81 P85S81-H83 PolarHBondContact O-N 3.15Å; S81-H83 VanDerWaalsContact O-N 3.16Å; H83-P85 WeakPolarHBondContact O-CD 3.44Å
84H42.5Very low54.6Low143 Ų143111.2 Ų111.266%0.66264%0.64SS**  trans-59.7108.8-175.1-79.6-104.8000108.8V82 L86V82-H84 PolarHBondContact O-CD2 3.41Å; V82-H84 PolarHBondContact O-N 3.39Å; H84-L86 PolarHBondContact O-N 3.37Å; H84-L86 VanDerWaalsContact O-N 3.08Å
85P48Very low56.6Low96 Ų96105 Ų10562%0.62360%0.6SS**THydrogen-bonded Turntrans-82.519.8-17531.1-26.2000112.3H83H83-P85 WeakPolarHBondContact O-CD 3.44Å
86L45.5Very low58.6Low157 Ų157103.6 Ų103.682%0.82259%0.593SS**THydrogen-bonded Turntrans-90.54.7-176.2-65.4174.5000113.8H84H84-L86 PolarHBondContact O-N 3.37Å; H84-L86 VanDerWaalsContact O-N 3.08Å
87L50.3Low60.7Low131 Ų131100.8 Ų100.869%0.68657%0.57SS**SBendtrans-130.612.2175.5-162.358.4000114.4
88T44.4Very low62.9Low96 Ų9695.7 Ų95.759%0.58956%0.558SS**SBendtrans-110.5103.1175.656.20000108.5S90T88-S90 PolarHBondContact O-N 3.44Å
89S53.7Low64.7Low50 Ų5095.1 Ų95.135%0.3553%0.531SS..  trans0.683.4165-66.70000115H45 W91H45-S89 PolarHBondContact CE1-OG 2.92Å; S89-W91 PolarHBondContact O-N 2.99Å
90S56.6Low66.8Low102 Ų10292.3 Ų92.371%0.71351%0.507SS*.THydrogen-bonded Turntrans-76.615.4-177.365.60000113.5T88T88-S90 PolarHBondContact O-N 3.44Å
91W72.9Confident69.2Low103 Ų10388.3 Ų88.339%0.3948%0.48SS..THydrogen-bonded Turntrans-110.65.5-174.1-60.3100.7000112.5Y46 W49 S89 E93Y46-W91 HydrophobicContact CD2-CB 4.19Å; Y46-W91 VanDerWaalsContact CD2-O 3.23Å; Y46-W91 WeakPolarHBondContact CD2-O 3.46Å; W49-W91 AromaticContact CD1-CD1 3.81Å; W49-W91 AromaticContact CD1-CE2 3.96Å; W49-W91 AromaticContact CD1-NE1 3.14Å; W49-W91 HydrophobicContact CD2-CZ2 4.35Å; W49-W91 AromaticContact CE2-CZ2 3.94Å; W49-W91 AromaticContact CG-NE1 3.65Å; W49-W91 HydrophobicContact CZ2-CZ2 4.24Å; W49-W91 AromaticContact NE1-CE2 3.96Å; W49-W91 AromaticContact NE1-CZ2 3.98Å; W49-W91 AromaticContact NE1-NE1 3.45Å; S89-W91 PolarHBondContact O-N 2.99Å; W91-E93 PolarHBondContact O-N 2.73Å
92D85.6Confident71.3Confident59 Ų5987 Ų8732%0.31646%0.458SS..  trans-81.4115.1-178.5-59.8-3.5000109.9F43 I44 H45F43-D92 HydrophobicContact CE1-CB 3.83Å; F43-D92 HydrophobicContact CE2-CB 4.09Å; F43-D92 HydrophobicContact CZ-CB 3.42Å; F43-D92 VanDerWaalsContact CZ-CB 3.42Å; I44-D92 WeakPolarHBondContact O-CA 3.33Å; H45-D92 IonicContact CE1-OD1 3.67Å; H45-D92 IonicContact CG-OD1 3.53Å; H45-D92 IonicContact ND1-OD1 2.66Å; H45-D92 PolarHBondContact ND1-OD1 2.94Å; H45-D92 IonicContact ND1-OD2 3.77Å
93E88.6Confident73.5Confident88 Ų8886 Ų8641%0.41144%0.443SS..EExtended strand (participates in β ladder)trans-129.8143.2-175.3-167-177.1129.900110.6I44 W91 V95 R99I44-E93 PolarHBondContact N-O 2.84Å; I44-E93 PolarHBondContact O-N 2.81Å; W91-E93 PolarHBondContact O-N 2.73Å; E93-V95 HydrophobicContact CB-CG1 4.3Å; E93-V95 HydrophobicContact CG-CG1 4.25Å; E93-V95 PolarHBondContact O-N 3.48Å; E93-R99 IonicContact OE1-NH1 2.9Å; E93-R99 PolarHBondContact OE1-NH1 3.49Å
94W91Very high75.8Confident119 Ų11980.9 Ų80.945%0.45142%0.424SS..EExtended strand (participates in β ladder)trans-77.1113.1166.3-74.399.1000109.5K32 A34 K41 Y42 F43K32-W94 HydrophobicContact CB-CH2 4.08Å; A34-W94 HydrophobicContact CB-CE3 4.42Å; A34-W94 HydrophobicContact CB-CH2 3.66Å; A34-W94 HydrophobicContact CB-CZ3 3.47Å; A34-W94 VanDerWaalsContact CB-CZ3 3.47Å; K41-W94 HydrophobicContact CB-CE3 3.97Å; K41-W94 HydrophobicContact CB-CZ3 4.46Å; Y42-W94 WeakPolarHBondContact O-CA 3.34Å; F43-W94 HydrophobicContact CB-CD2 4.08Å; F43-W94 HydrophobicContact CB-CE3 3.88Å; F43-W94 HydrophobicContact CB-CH2 3.85Å; F43-W94 HydrophobicContact CB-CZ2 4.02Å; F43-W94 HydrophobicContact CB-CZ3 3.77Å; F43-W94 AromaticContact CD2-CD1 3.65Å; F43-W94 AromaticContact CD2-CD2 3.66Å; F43-W94 HydrophobicContact CD2-CD2 3.66Å; F43-W94 AromaticContact CD2-CE2 3.47Å; F43-W94 VanDerWaalsContact CD2-CE2 3.47Å; F43-W94 HydrophobicContact CD2-CE3 4.33Å; F43-W94 AromaticContact CD2-CG 3.8Å; F43-W94 HydrophobicContact CD2-CG 3.8Å; F43-W94 HydrophobicContact CD2-CZ2 4.03Å; F43-W94 AromaticContact CD2-NE1 3.44Å; F43-W94 AromaticContact CE2-CD1 3.9Å; F43-W94 HydrophobicContact CE2-CG 4.44Å; F43-W94 AromaticContact CE2-NE1 3.72Å; F43-W94 HydrophobicContact CG-CD2 4.31Å; F43-W94 HydrophobicContact CG-CH2 4.5Å; F43-W94 HydrophobicContact CG-CZ2 4.18Å
95V91.4Very high78.1Confident0 Ų080.6 Ų80.60%043%0.428CS..EExtended strand (participates in β ladder)trans-116.7148.1179-59.70000111.3Y42 I44 E93 R99 V100Y42-V95 PolarHBondContact N-O 2.86Å; Y42-V95 PolarHBondContact O-N 2.84Å; I44-V95 HydrophobicContact CB-CG2 3.96Å; I44-V95 HydrophobicContact CD1-CG2 4.45Å; I44-V95 HydrophobicContact CG1-CG2 3.23Å; E93-V95 HydrophobicContact CB-CG1 4.3Å; E93-V95 HydrophobicContact CG-CG1 4.25Å; E93-V95 PolarHBondContact O-N 3.48Å; V95-R99 HydrophobicContact CB-CB 4.22Å; V95-V100 HydrophobicContact CG2-CG2 3.45Å; V95-V100 VanDerWaalsContact CG2-CG2 3.45Å
96P91.4Very high80.3Confident63 Ų6380.6 Ų80.641%0.40943%0.426SS..EExtended strand (participates in β ladder)trans-70.3158.9173.930.6-35.3000111.1S98 R99P96-S98 PolarHBondContact O-N 2.96Å; P96-S98 VanDerWaalsContact O-N 3.1Å; P96-R99 HydrophobicContact CG-CB 4.4Å; P96-R99 PolarHBondContact O-N 3.49Å
97E87.8Confident82.6Confident46 Ų4674 Ų7422%0.21539%0.392CS..G310 helixtrans-51.5-33.8176.1-171.6-179.1-11800113.6K10 F11 V40 Y42 R99 V100K10-E97 VanDerWaalsContact CB-OE1 3.23Å; K10-E97 WeakPolarHBondContact CB-OE1 3.42Å; K10-E97 VanDerWaalsContact CD-CD 3.46Å; K10-E97 HydrophobicContact CD-CG 4.23Å; K10-E97 WeakPolarHBondContact CD-OE1 3.37Å; K10-E97 VanDerWaalsContact CE-OE2 3.31Å; K10-E97 WeakPolarHBondContact CE-OE2 3.5Å; K10-E97 WeakPolarHBondContact CG-OE1 3.28Å; K10-E97 IonicContact NZ-OE1 3.83Å; K10-E97 IonicContact NZ-OE2 2.76Å; K10-E97 PolarHBondContact NZ-OE2 3.39Å; F11-E97 HydrophobicContact CE2-CG 4.16Å; V40-E97 PolarHBondContact O-N 2.84Å; Y42-E97 HydrophobicContact CD2-CB 4.28Å; Y42-E97 HydrophobicContact CE2-CB 3.78Å; Y42-E97 HydrophobicContact CE2-CG 3.84Å; E97-R99 PolarHBondContact O-N 2.83Å; E97-V100 PolarHBondContact O-N 3.18Å; E97-V100 VanDerWaalsContact O-N 3.15Å; E97-V100 VanDerWaalsContact O-O 3.07Å
98S89.6Confident84.5Confident100 Ų10069.8 Ų69.870%0.69937%0.369SS*.G310 helixtrans-62.7-25-179.557.40000114.1P96P96-S98 PolarHBondContact O-N 2.96Å; P96-S98 VanDerWaalsContact O-N 3.1Å
99R90.7Very high86.8Confident65 Ų6570.3 Ų70.325%0.24537%0.365CS..G310 helixtrans-87.5-12.1-178.5-154.7176.9178.5-175.5-3.7112.3C19 F20 E93 V95 P96 E97C19-R99 WeakPolarHBondContact CA-O 3.28Å; F20-R99 HydrophobicContact CB-CG 3.85Å; F20-R99 PolarHBondContact N-O 3.35Å; F20-R99 PolarHBondContact O-NE 3.49Å; F20-R99 PolarHBondContact O-NH2 2.95Å; E93-R99 IonicContact OE1-NH1 2.9Å; E93-R99 PolarHBondContact OE1-NH1 3.49Å; V95-R99 HydrophobicContact CB-CB 4.22Å; P96-R99 HydrophobicContact CG-CB 4.4Å; P96-R99 PolarHBondContact O-N 3.49Å; E97-R99 PolarHBondContact O-N 2.83Å
100V91.4Very high88.6Confident6 Ų672.2 Ų72.24%0.03637%0.367CS..EExtended strand (participates in β ladder)trans-111127.7-173.2-171.70000110F11 V17 L18 Y42 I44 V95 E97F11-V100 HydrophobicContact CD2-CG1 4.27Å; F11-V100 HydrophobicContact CE1-CG1 4.17Å; F11-V100 HydrophobicContact CE2-CB 4.09Å; F11-V100 HydrophobicContact CE2-CG1 3.96Å; F11-V100 HydrophobicContact CZ-CB 4.29Å; F11-V100 HydrophobicContact CZ-CG1 3.91Å; F11-V100 WeakPolarHBondContact CZ-O 3.25Å; V17-V100 HydrophobicContact CB-CG1 3.58Å; V17-V100 HydrophobicContact CG1-CG1 3.92Å; V17-V100 HydrophobicContact CG2-CG1 3.69Å; L18-V100 CarbonylContact O-C 3.56Å; L18-V100 WeakPolarHBondContact O-CA 3.48Å; Y42-V100 HydrophobicContact CD2-CG2 4.49Å; I44-V100 HydrophobicContact CD1-CG1 4.21Å; I44-V100 HydrophobicContact CD1-CG2 3.99Å; I44-V100 HydrophobicContact CG1-CG2 3.89Å; V95-V100 HydrophobicContact CG2-CG2 3.45Å; V95-V100 VanDerWaalsContact CG2-CG2 3.45Å; E97-V100 PolarHBondContact O-N 3.18Å; E97-V100 VanDerWaalsContact O-N 3.15Å; E97-V100 VanDerWaalsContact O-O 3.07Å
101L92Very high90.3Very high28 Ų2868.5 Ų68.515%0.14734%0.339CS..EExtended strand (participates in β ladder)trans-115.4150.8179.6-90.766000110V17 L18 F20 L25 N107V17-L101 WeakPolarHBondContact CA-O 3.31Å; V17-L101 WeakPolarHBondContact CB-O 3.45Å; L18-L101 HydrophobicContact CB-CB 4.11Å; L18-L101 PolarHBondContact N-O 2.93Å; L18-L101 PolarHBondContact O-N 3.23Å; F20-L101 HydrophobicContact CD2-CD1 3.99Å; F20-L101 HydrophobicContact CE2-CD1 3.52Å; F20-L101 HydrophobicContact CE2-CD2 4.12Å; F20-L101 HydrophobicContact CE2-CG 4.49Å; F20-L101 HydrophobicContact CZ-CD2 4.45Å; L25-L101 HydrophobicContact CD1-CD2 4.21Å; L101-N107 HydrophobicContact CB-CB 4.49Å; L101-N107 HydrophobicContact CD2-CB 4.19Å
102K92.8Very high91.2Very high94 Ų9472.1 Ų72.141%0.40935%0.352SS..EExtended strand (participates in β ladder)trans-68.1144.7174.3-70.8-174.5176.1-166.90110.8K10 F11 V104 N107K10-K102 WeakPolarHBondContact O-CE 3.01Å; K10-K102 PolarHBondContact O-NZ 3.42Å; F11-K102 HydrophobicContact CD1-CG 3.98Å; F11-K102 HydrophobicContact CE1-CB 4.11Å; F11-K102 HydrophobicContact CE1-CD 4.42Å; F11-K102 HydrophobicContact CE1-CG 3.25Å; F11-K102 HydrophobicContact CZ-CG 3.95Å; K102-V104 VanDerWaalsContact C-N 3.26Å; K102-V104 HydrophobicContact CB-CG1 4.08Å; K102-V104 HydrophobicContact CB-CG2 4.31Å; K102-V104 PolarHBondContact O-N 3.12Å; K102-N107 PolarHBondContact N-ND2 3.38Å; K102-N107 WeakPolarHBondContact O-CB 3.11Å; K102-N107 PolarHBondContact O-ND2 3.1Å
103Y91.8Very high91.4Very high88 Ų8874.3 Ų74.335%0.34536%0.36SS..SBendtrans-76.980.6171.9-163.7-85.1000109.4R16 L18 E27 L108R16-Y103 HydrophobicContact CB-CD2 4.48Å; R16-Y103 HydrophobicContact CB-CG 4.37Å; R16-Y103 VanDerWaalsContact O-CB 3.28Å; R16-Y103 WeakPolarHBondContact O-CB 3.39Å; L18-Y103 HydrophobicContact CD2-CD2 4.19Å; L18-Y103 HydrophobicContact CD2-CE2 4.39Å; L18-Y103 HydrophobicContact CG-CD2 4.18Å; E27-Y103 HydrophobicContact CG-CE2 4.2Å; Y103-L108 HydrophobicContact CD1-CD1 4.12Å; Y103-L108 HydrophobicContact CD2-CD1 4.26Å; Y103-L108 HydrophobicContact CE1-CD1 4.05Å; Y103-L108 HydrophobicContact CE1-CD2 4.37Å; Y103-L108 HydrophobicContact CE2-CD1 4.2Å; Y103-L108 HydrophobicContact CG-CD1 4.22Å
104V92.8Very high91.5Very high65 Ų6572.7 Ų72.739%0.39435%0.354SS..SBendtrans-132.3153.3179.3-650000109.6K102 T106 N107 L108K102-V104 VanDerWaalsContact C-N 3.26Å; K102-V104 HydrophobicContact CB-CG1 4.08Å; K102-V104 HydrophobicContact CB-CG2 4.31Å; K102-V104 PolarHBondContact O-N 3.12Å; V104-T106 PolarHBondContact O-N 3.15Å; V104-T106 VanDerWaalsContact O-N 3.14Å; V104-N107 HydrophobicContact CG2-CB 4.09Å; V104-N107 WeakPolarHBondContact CG2-ND2 3.42Å; V104-N107 WeakPolarHBondContact O-CA 3.36Å; V104-N107 PolarHBondContact O-N 2.89Å; V104-L108 WeakPolarHBondContact O-CD1 3.38Å; V104-L108 PolarHBondContact O-N 3.39Å
105D92.1Very high91.3Very high137 Ų13771.7 Ų71.773%0.73336%0.355SS*.Hα-helixtrans-53.8-39.7-173.2-60.9-64.6000113.4N107 L108 Q109D105-N107 PolarHBondContact O-N 3.14Å; D105-L108 PolarHBondContact O-N 3.37Å; D105-Q109 WeakPolarHBondContact O-CB 3.48Å; D105-Q109 PolarHBondContact O-N 3.02Å
106T93.9Very high91.2Very high95 Ų9578 Ų7858%0.58338%0.382SS*.Hα-helixtrans-57.9-36.8175.8-47.90000112.6V104 K110V104-T106 PolarHBondContact O-N 3.15Å; V104-T106 VanDerWaalsContact O-N 3.14Å; T106-K110 WeakPolarHBondContact O-CG 3.42Å; T106-K110 PolarHBondContact O-N 3.39Å
107N92.7Very high91.1Very high19 Ų1977 Ų7710%0.10238%0.38CS..Hα-helixtrans-84.9-30.2179.7-65.9-23.8000112L18 L101 K102 V104 D105 Q109 K110 Q111L18-N107 HydrophobicContact CD1-CB 3.77Å; L101-N107 HydrophobicContact CB-CB 4.49Å; L101-N107 HydrophobicContact CD2-CB 4.19Å; K102-N107 PolarHBondContact N-ND2 3.38Å; K102-N107 WeakPolarHBondContact O-CB 3.11Å; K102-N107 PolarHBondContact O-ND2 3.1Å; V104-N107 HydrophobicContact CG2-CB 4.09Å; V104-N107 WeakPolarHBondContact CG2-ND2 3.42Å; V104-N107 WeakPolarHBondContact O-CA 3.36Å; V104-N107 PolarHBondContact O-N 2.89Å; D105-N107 PolarHBondContact O-N 3.14Å; N107-Q109 VanDerWaalsContact C-N 3.28Å; N107-K110 WeakPolarHBondContact O-CB 3.47Å; N107-K110 PolarHBondContact O-N 2.97Å; N107-Q111 PolarHBondContact O-N 2.93Å
108L92.1Very high91Very high42 Ų4276.5 Ų76.522%0.2238%0.378CS..Hα-helixtrans-64-37.3169.3-85.882.3000111.2L18 Y103 V104 D105 Q111 R112L18-L108 HydrophobicContact CD1-CD1 4.12Å; Y103-L108 HydrophobicContact CD1-CD1 4.12Å; Y103-L108 HydrophobicContact CD2-CD1 4.26Å; Y103-L108 HydrophobicContact CE1-CD1 4.05Å; Y103-L108 HydrophobicContact CE1-CD2 4.37Å; Y103-L108 HydrophobicContact CE2-CD1 4.2Å; Y103-L108 HydrophobicContact CG-CD1 4.22Å; V104-L108 WeakPolarHBondContact O-CD1 3.38Å; V104-L108 PolarHBondContact O-N 3.39Å; D105-L108 PolarHBondContact O-N 3.37Å; L108-Q111 WeakPolarHBondContact O-CB 3.23Å; L108-Q111 PolarHBondContact O-N 3.42Å; L108-R112 PolarHBondContact O-N 2.86Å
109Q92.4Very high90.6Very high107 Ų10778.7 Ų78.750%0.538%0.378SS..Hα-helixtrans-62.2-45.6172.7-179.8166.3-7.100111.1D105 N107 Q111 R112 E113D105-Q109 WeakPolarHBondContact O-CB 3.48Å; D105-Q109 PolarHBondContact O-N 3.02Å; N107-Q109 VanDerWaalsContact C-N 3.28Å; Q109-Q111 VanDerWaalsContact C-N 3.27Å; Q109-Q111 PolarHBondContact O-N 3.33Å; Q109-R112 WeakPolarHBondContact O-CB 3.13Å; Q109-R112 PolarHBondContact O-N 3.06Å; Q109-R112 VanDerWaalsContact O-N 3.08Å; Q109-E113 HydrophobicContact CG-CG 4.31Å; Q109-E113 VanDerWaalsContact CG-OE1 3.28Å; Q109-E113 WeakPolarHBondContact CG-OE1 3.48Å; Q109-E113 PolarHBondContact NE2-OE1 2.8Å; Q109-E113 WeakPolarHBondContact O-CB 3.23Å; Q109-E113 WeakPolarHBondContact O-CG 3.2Å; Q109-E113 PolarHBondContact O-N 3.38Å
110K91.2Very high90.2Very high91 Ų9180 Ų8040%0.39639%0.387SS..Hα-helixtrans-57.3-40.5172.8-70.4175.1-175.7170.50112.4L25 T106 N107 R112 E113 L114L25-K110 HydrophobicContact CD1-CB 4.27Å; T106-K110 WeakPolarHBondContact O-CG 3.42Å; T106-K110 PolarHBondContact O-N 3.39Å; N107-K110 WeakPolarHBondContact O-CB 3.47Å; N107-K110 PolarHBondContact O-N 2.97Å; K110-R112 VanDerWaalsContact C-N 3.35Å; K110-R112 PolarHBondContact O-N 2.99Å; K110-E113 PolarHBondContact O-N 3.36Å; K110-L114 VanDerWaalsContact O-CB 3.3Å; K110-L114 WeakPolarHBondContact O-CB 3.43Å; K110-L114 WeakPolarHBondContact O-CG 3.44Å; K110-L114 PolarHBondContact O-N 3.5Å
111Q91.9Very high89.2Confident24 Ų2485.4 Ų85.411%0.11241%0.411CS..Hα-helixtrans-59.7-46175.2177.6-176.335.900111.3L25 N107 L108 Q109 L114 Q115L25-Q111 HydrophobicContact CB-CB 3.92Å; L25-Q111 HydrophobicContact CB-CG 3.94Å; L25-Q111 HydrophobicContact CD1-CB 4.25Å; L25-Q111 WeakPolarHBondContact O-CG 3.39Å; L25-Q111 PolarHBondContact O-NE2 3.34Å; N107-Q111 PolarHBondContact O-N 2.93Å; L108-Q111 WeakPolarHBondContact O-CB 3.23Å; L108-Q111 PolarHBondContact O-N 3.42Å; Q109-Q111 VanDerWaalsContact C-N 3.27Å; Q109-Q111 PolarHBondContact O-N 3.33Å; Q111-L114 PolarHBondContact O-N 3.3Å; Q111-Q115 VanDerWaalsContact O-CG 3.32Å; Q111-Q115 WeakPolarHBondContact O-CG 3.39Å; Q111-Q115 PolarHBondContact O-N 3.49Å
112R91Very high88.1Confident179 Ų17992.1 Ų92.168%0.67544%0.436SS*.Hα-helixtrans-64.2-43.9177.2-171.4-174.3-60.41583.1112.1L108 Q109 K110 Q115 K116L108-R112 PolarHBondContact O-N 2.86Å; Q109-R112 WeakPolarHBondContact O-CB 3.13Å; Q109-R112 PolarHBondContact O-N 3.06Å; Q109-R112 VanDerWaalsContact O-N 3.08Å; K110-R112 VanDerWaalsContact C-N 3.35Å; K110-R112 PolarHBondContact O-N 2.99Å; R112-Q115 PolarHBondContact O-N 3.5Å; R112-K116 WeakPolarHBondContact O-CB 3.47Å; R112-K116 PolarHBondContact O-N 2.85Å
113E91.5Very high87.1Confident104 Ų10490.5 Ų90.549%0.48644%0.44SS..Hα-helixtrans-62.6-44.3177.7-73.7172.3-17500111Q109 K110 Q115 K116 A117Q109-E113 HydrophobicContact CG-CG 4.31Å; Q109-E113 VanDerWaalsContact CG-OE1 3.28Å; Q109-E113 WeakPolarHBondContact CG-OE1 3.48Å; Q109-E113 PolarHBondContact NE2-OE1 2.8Å; Q109-E113 WeakPolarHBondContact O-CB 3.23Å; Q109-E113 WeakPolarHBondContact O-CG 3.2Å; Q109-E113 PolarHBondContact O-N 3.38Å; K110-E113 PolarHBondContact O-N 3.36Å; E113-Q115 PolarHBondContact O-N 3.4Å; E113-K116 PolarHBondContact O-N 2.89Å; E113-A117 VanDerWaalsContact O-CB 3.23Å; E113-A117 WeakPolarHBondContact O-CB 3.03Å; E113-A117 PolarHBondContact O-N 3.34Å
114L89.9Confident85.8Confident55 Ų5591.5 Ų91.529%0.28845%0.448SS..Hα-helixtrans-63.1-41.4175.7-74.5168.7000111.9F20 L24 L25 K110 Q111 N118F20-L114 HydrophobicContact CE1-CD1 3.7Å; F20-L114 HydrophobicContact CZ-CD1 4.41Å; L24-L114 HydrophobicContact CD2-CB 4.32Å; L25-L114 HydrophobicContact CD1-CD1 3.82Å; L25-L114 HydrophobicContact CG-CD1 3.93Å; K110-L114 VanDerWaalsContact O-CB 3.3Å; K110-L114 WeakPolarHBondContact O-CB 3.43Å; K110-L114 WeakPolarHBondContact O-CG 3.44Å; K110-L114 PolarHBondContact O-N 3.5Å; Q111-L114 PolarHBondContact O-N 3.3Å; L114-N118 WeakPolarHBondContact O-CB 3.3Å; L114-N118 PolarHBondContact O-N 3.33Å
115Q87.1Confident84.4Confident97 Ų9790.5 Ų90.545%0.45345%0.451SS..Hα-helixtrans-62.2-45.9175.5-74.9174.51700111.9L24 Q111 R112 E113 N118 Q119L24-Q115 HydrophobicContact CD2-CB 4.43Å; L24-Q115 HydrophobicContact CD2-CG 3.96Å; Q111-Q115 VanDerWaalsContact O-CG 3.32Å; Q111-Q115 WeakPolarHBondContact O-CG 3.39Å; Q111-Q115 PolarHBondContact O-N 3.49Å; R112-Q115 PolarHBondContact O-N 3.5Å; E113-Q115 PolarHBondContact O-N 3.4Å; Q115-N118 PolarHBondContact O-N 3.49Å; Q115-Q119 WeakPolarHBondContact O-CB 3.48Å; Q115-Q119 PolarHBondContact O-N 2.95Å
116K89.8Confident82.8Confident132 Ų13292.6 Ų92.657%0.57445%0.453SS*.Hα-helixtrans-63.8-51.4178-178.2180172.2-1750111.5R112 E113 N118 Q119 E120R112-K116 WeakPolarHBondContact O-CB 3.47Å; R112-K116 PolarHBondContact O-N 2.85Å; E113-K116 PolarHBondContact O-N 2.89Å; K116-N118 VanDerWaalsContact C-N 3.29Å; K116-N118 PolarHBondContact O-N 3.15Å; K116-Q119 WeakPolarHBondContact O-CB 3.18Å; K116-Q119 PolarHBondContact O-N 3.34Å; K116-Q119 VanDerWaalsContact O-N 3.15Å; K116-E120 WeakPolarHBondContact CE-OE1 3.44Å; K116-E120 IonicContact NZ-OE1 3.97Å; K116-E120 WeakPolarHBondContact O-CG 3.39Å; K116-E120 PolarHBondContact O-N 2.98Å
117A88.6Confident80.6Confident44 Ų4495.5 Ų95.536%0.36446%0.462SS..Hα-helixtrans-61.6-39.9179.500000111.2E113 Q119 E120 Q121E113-A117 VanDerWaalsContact O-CB 3.23Å; E113-A117 WeakPolarHBondContact O-CB 3.03Å; E113-A117 PolarHBondContact O-N 3.34Å; A117-Q119 PolarHBondContact O-N 3.38Å; A117-E120 PolarHBondContact O-N 2.81Å; A117-Q121 WeakPolarHBondContact O-CB 3.47Å; A117-Q121 VanDerWaalsContact O-CG 3.23Å; A117-Q121 WeakPolarHBondContact O-CG 3.5Å; A117-Q121 PolarHBondContact O-N 3.46Å
118N86.2Confident78.8Confident35 Ų35105.3 Ų105.319%0.18750%0.498CS..Hα-helixtrans-64.6-40.7176.7-172.3-108.7000111.4P23 L24 L114 Q115 K116 E120 Q121 Y122P23-N118 WeakPolarHBondContact CG-ND2 3.38Å; L24-N118 HydrophobicContact CD2-CB 3.79Å; L114-N118 WeakPolarHBondContact O-CB 3.3Å; L114-N118 PolarHBondContact O-N 3.33Å; Q115-N118 PolarHBondContact O-N 3.49Å; K116-N118 VanDerWaalsContact C-N 3.29Å; K116-N118 PolarHBondContact O-N 3.15Å; N118-E120 PolarHBondContact O-N 3.01Å; N118-Q121 PolarHBondContact O-N 2.84Å; N118-Y122 WeakPolarHBondContact O-CD2 3.32Å; N118-Y122 PolarHBondContact O-N 3.08Å; N118-Y122 WeakPolarHBondContact OD1-CD2 2.97Å; N118-Y122 WeakPolarHBondContact OD1-CE2 3.44Å
119Q81.1Confident76.7Confident146 Ų146106.3 Ų106.368%0.68252%0.519SS*.Hα-helixtrans-62.5-41.2174-172.3164.127.700112.5Q115 K116 A117 Y122 A123Q115-Q119 WeakPolarHBondContact O-CB 3.48Å; Q115-Q119 PolarHBondContact O-N 2.95Å; K116-Q119 WeakPolarHBondContact O-CB 3.18Å; K116-Q119 PolarHBondContact O-N 3.34Å; K116-Q119 VanDerWaalsContact O-N 3.15Å; A117-Q119 PolarHBondContact O-N 3.38Å; Q119-Y122 PolarHBondContact O-N 3Å; Q119-A123 PolarHBondContact O-N 3.24Å
120E81.3Confident74.7Confident93 Ų93105.2 Ų105.244%0.43553%0.528SS..Hα-helixtrans-64.8-45174.4-71.8170.6-178.100111.4K116 A117 N118 Y122 A123 E124K116-E120 WeakPolarHBondContact CE-OE1 3.44Å; K116-E120 IonicContact NZ-OE1 3.97Å; K116-E120 WeakPolarHBondContact O-CG 3.39Å; K116-E120 PolarHBondContact O-N 2.98Å; A117-E120 PolarHBondContact O-N 2.81Å; N118-E120 PolarHBondContact O-N 3.01Å; E120-Y122 VanDerWaalsContact C-N 3.3Å; E120-Y122 PolarHBondContact O-N 3.33Å; E120-A123 CarbonylContact O-C 3.56Å; E120-A123 WeakPolarHBondContact O-CA 3.28Å; E120-A123 WeakPolarHBondContact O-CB 3.37Å; E120-A123 PolarHBondContact O-N 2.94Å; E120-E124 WeakPolarHBondContact O-CB 3.49Å; E120-E124 WeakPolarHBondContact O-CG 3.46Å; E120-E124 PolarHBondContact O-N 3.41Å
121Q72.1Confident72.4Confident119 Ų119105.1 Ų105.156%0.55654%0.544SS*.Hα-helixtrans-62.8-35.8175.7-71.5-60.1-67.900112.3A117 N118 E124 G125A117-Q121 WeakPolarHBondContact O-CB 3.47Å; A117-Q121 VanDerWaalsContact O-CG 3.23Å; A117-Q121 WeakPolarHBondContact O-CG 3.5Å; A117-Q121 PolarHBondContact O-N 3.46Å; N118-Q121 PolarHBondContact O-N 2.84Å; Q121-E124 PolarHBondContact NE2-OE2 3.5Å; Q121-G125 PolarHBondContact O-N 3.21Å
122Y67.5Low70.4Confident169 Ų169110.2 Ų110.266%0.66358%0.579SS**Hα-helixtrans-66.8-37.1171.7-87.5-69.3000112.3N118 Q119 E120 K126N118-Y122 WeakPolarHBondContact O-CD2 3.32Å; N118-Y122 PolarHBondContact O-N 3.08Å; N118-Y122 WeakPolarHBondContact OD1-CD2 2.97Å; N118-Y122 WeakPolarHBondContact OD1-CE2 3.44Å; Q119-Y122 PolarHBondContact O-N 3Å; E120-Y122 VanDerWaalsContact C-N 3.3Å; E120-Y122 PolarHBondContact O-N 3.33Å; Y122-K126 PolarHBondContact O-N 2.85Å
123A72.1Confident68Low59 Ų59105 Ų10549%0.48858%0.581SS.*Hα-helixtrans-71.4-42.8175.600000112.4Q119 E120 K126 M127Q119-A123 PolarHBondContact O-N 3.24Å; E120-A123 CarbonylContact O-C 3.56Å; E120-A123 WeakPolarHBondContact O-CA 3.28Å; E120-A123 WeakPolarHBondContact O-CB 3.37Å; E120-A123 PolarHBondContact O-N 2.94Å; A123-K126 WeakPolarHBondContact O-CB 3.5Å; A123-K126 PolarHBondContact O-N 3.26Å; A123-M127 PolarHBondContact O-N 3.14Å
124E64Low65.6Low109 Ų109110 Ų11051%0.50960%0.601SS.*Hα-helixtrans-68.8-38.1177.1-72.4-173.1160.400112.1E120 Q121 K126 M127 R128E120-E124 WeakPolarHBondContact O-CB 3.49Å; E120-E124 WeakPolarHBondContact O-CG 3.46Å; E120-E124 PolarHBondContact O-N 3.41Å; Q121-E124 PolarHBondContact NE2-OE2 3.5Å; E124-K126 VanDerWaalsContact C-N 3.25Å; E124-K126 PolarHBondContact O-N 3.27Å; E124-M127 CarbonylContact O-C 3.55Å; E124-M127 WeakPolarHBondContact O-CA 3.45Å; E124-M127 PolarHBondContact O-N 3.29Å; E124-R128 PolarHBondContact O-N 2.76Å
125G63.5Low63.3Low45 Ų45117.4 Ų117.446%0.46463%0.631SS.*Hα-helixtrans-60.5-35.3173.600000112.5Q121 M127 R128 G129Q121-G125 PolarHBondContact O-N 3.21Å; G125-M127 PolarHBondContact O-N 3.01Å; G125-R128 PolarHBondContact O-N 2.94Å; G125-G129 PolarHBondContact O-N 2.9Å
126K58.7Low61Low180 Ų180118.9 Ų118.978%0.78365%0.647SS**Hα-helixtrans-66.1-26.6172.8-169.8169.4176.8179.70112.7Y122 A123 E124Y122-K126 PolarHBondContact O-N 2.85Å; A123-K126 WeakPolarHBondContact O-CB 3.5Å; A123-K126 PolarHBondContact O-N 3.26Å; E124-K126 VanDerWaalsContact C-N 3.25Å; E124-K126 PolarHBondContact O-N 3.27Å
127M48.3Very low58.9Low156 Ų156118.5 Ų118.577%0.76866%0.661SS**Hα-helixtrans-88.8-20.3177.7-64.2-66.4-77.300113.6A123 E124 G125A123-M127 PolarHBondContact O-N 3.14Å; E124-M127 CarbonylContact O-C 3.55Å; E124-M127 WeakPolarHBondContact O-CA 3.45Å; E124-M127 PolarHBondContact O-N 3.29Å; G125-M127 PolarHBondContact O-N 3.01Å
128R54.9Low56.3Low225 Ų225120 Ų12085%0.84968%0.68SS**Hα-helixtrans-86.4-7.7173.3-65.2-178.589.8-1527.3113.8E124 G125 A130E124-R128 PolarHBondContact O-N 2.76Å; G125-R128 PolarHBondContact O-N 2.94Å; R128-A130 VanDerWaalsContact C-N 3.3Å
129G48.1Very low54.2Low64 Ų64125.9 Ų125.966%0.6671%0.711SS**THydrogen-bonded Turntrans-77.2-5.8173.900000115.3G125 A131G125-G129 PolarHBondContact O-N 2.9Å; G129-A131 PolarHBondContact O-N 2.83Å; G129-A131 VanDerWaalsContact O-N 3.1Å
130A49.7Very low52.2Low84 Ų84127.7 Ų127.769%0.69472%0.719SS**SBendtrans-77.292165.400000108.7R128R128-A130 VanDerWaalsContact C-N 3.3Å
131A43.4Very low50.5Low88 Ų88132 Ų13273%0.72774%0.74SS**  trans-49.8131.3-17600000113.7G129G129-A131 PolarHBondContact O-N 2.83Å; G129-A131 VanDerWaalsContact O-N 3.1Å
132P49.3Very low49Very low132 Ų132135.8 Ų135.886%0.85775%0.754SS**  trans-88.2109.2159.832.6-24000108.3
133G41.5Very low47.5Very low70 Ų70135.1 Ų135.172%0.72276%0.762SS**  trans130.398.2157.700000117
134K41.2Very low45.9Very low208 Ų208138.7 Ų138.790%0.90478%0.778SS**  trans-112.5106.6134.6-91.9-178.3174.6178.40107.2
135K40.8Very low44.5Very low211 Ų211141.7 Ų141.792%0.91779%0.792SS**  trans-88.3116.2157-73-144.7-84.3-176.50107.3
136T39.6Very low43.2Very low127 Ų127145 Ų14578%0.77980%0.802SS**  trans-121.3110.8154.852.40000106.9
137S44.5Very low42.2Very low124 Ų124146.4 Ų146.487%0.86781%0.809SS**  trans-49.6132.6159.147.90000110.7
138G35.2Very low41.5Very low75 Ų75144.5 Ų144.577%0.77381%0.806SS**  trans178.978.1177.400000112.8Q140G138-Q140 PolarHBondContact O-N 2.86Å
139L41Very low41Very low159 Ų159144 Ų14483%0.83281%0.81SS**  trans-46.4117.6162.917773.3000111.8
140Q39.9Very low40.5Very low184 Ų184150 Ų15086%0.8682%0.818SS**  -169.8108.9128.6-118.8169.85.800111.7G138G138-Q140 PolarHBondContact O-N 2.86Å
141Q46.1Very low39.4Very low185 Ų185152.9 Ų152.986%0.86482%0.821SS**  trans-66.5126.1159.5-66.1166.4-72.800108.1
142K40.6Very low39.2Very low198 Ų198157 Ų15786%0.86182%0.823SS**  trans-131.7104.9154.1-152.5173.3-174.3178.80109.8
143N34.3Very low38.6Very low154 Ų154159.4 Ų159.482%0.82482%0.823SS**  trans-54.5128168-165.429.1000110
144V39.2Very low38.3Very low134 Ų134165.5 Ų165.581%0.81283%0.829SS**  trans-132105.3160.8-154.60000108.4
145E34.8Very low38.1Very low172 Ų172161.9 Ų161.980%0.80483%0.825SS**  trans-9.7125.2163.6-159158.184.100120.2
146V36.8Very low38.3Very low114 Ų114157.8 Ų157.869%0.69182%0.82SS**  trans-15.2125.1147.4-177.30000116.4
147K37.4Very low37.9Very low211 Ų211155 Ų15592%0.91782%0.817SS**  trans-132.8105.7139.9-87.9-171.3178170.20112.1
148T34.3Very low37.3Very low115 Ų115157.3 Ų157.371%0.70682%0.819SS**  trans-35.7134.2159.2-45.10000114.4
149K42.9Very low37.3Very low214 Ų214156.4 Ų156.493%0.9381%0.81SS**  trans-160.4121132.9-107.7168.2-173.9-179.30112.7
150K37.1Very low37.1Very low191 Ų191156.9 Ų156.983%0.8381%0.813SS**  trans-80.4137.3177.1164.2-175.1-179.6178.90110.9
151N28.6Very low37Very low144 Ų144151.5 Ų151.577%0.7781%0.807SS**  trans-174.7110.7141.3-130.314.4000109.4
152K38.3Very low36.3Very low176 Ų176146.6 Ų146.677%0.76581%0.806SS**  97.192.682.4-172.8164.3-176.1170.80112.3
153Q35.8Very low36.4Very low181 Ų181141.8 Ų141.885%0.84680%0.798SS**  trans3.8127.9137.9-161.5175.740.800117.2
154K36.6Very low36.8Very low198 Ų198139.9 Ų139.986%0.86179%0.792SS**  trans-176116.4133.7-102.1179.1-176.1-168.70111.5
155T37Very low37Very low132 Ų132138 Ų13881%0.8179%0.785SS**  trans-81.9153.7141.644.20000107.8
156P44.5Very low37.3Very low126 Ų126138.6 Ų138.682%0.81879%0.788SS**  -133.2164.870.626.7-4.3000111.3
157G30.7Very low38.2Very low69 Ų69139.5 Ų139.571%0.71179%0.793SS**  cis120.2147.643.900000107.9
158N32.1Very low38.7Very low171 Ų171134.6 Ų134.691%0.91478%0.783SS**  trans82.2131.8178.2-117.261.9000116.3
159G35.2Very low39.3Very low57 Ų57137.9 Ų137.959%0.58879%0.791SS**  cis167.8160.95.100000108.3
160D37.7Very low39.7Very low168 Ų168132.8 Ų132.890%0.89878%0.779SS**  trans74.4127.3165.4-61.6-71.7000118.4
161G37.6Very low41Very low71 Ų71129.8 Ų129.873%0.73278%0.779SS**  cis165.2148.53.600000110.4
162G31.6Very low41.7Very low82 Ų82138 Ų13885%0.84580%0.8SS**  trans72.4146.8159.500000116.6
163S41.2Very low41.8Very low98 Ų98136.2 Ų136.269%0.68580%0.802SS**  cis-172.5140.87-174.20000107.7
164T44.5Very low42.2Very low114 Ų114133.8 Ų133.870%0.69980%0.799SS**  trans57.2105.114454.70000118.3
165S42.6Very low42.5Very low95 Ų95130.2 Ų130.266%0.66480%0.796SS**  54.9112.585.2720000113.6
166E40.8Very low42.8Very low183 Ų183130.1 Ų130.186%0.85580%0.795SS**  171.5131.3118.8-92.4-176.7103.300110.6
167T56Low42.7Very low133 Ų133130.4 Ų130.482%0.81679%0.794SS**  trans-113.4134.5164.3-52.10000105
168P47.3Very low43.5Very low109 Ų109134.5 Ų134.571%0.70880%0.799SS**  -150.5137.2109.931.6-11.5000116.5
169Q48.4Very low44.3Very low183 Ų183131.9 Ų131.986%0.85579%0.791SS**  trans50.7155.7136.3-84.5-172.4-39.800125
170P50.1Low45Very low107 Ų107137.6 Ų137.670%0.69581%0.807SS**  trans-96.6165.9-157.639.4-36000115
171P64Low45.6Very low128 Ų128135.1 Ų135.183%0.83180%0.799SS**  trans-84.5153-174.933.7-33.6000113.8
172R43.3Very low46.3Very low318 Ų318140.9 Ų140.9100%1.281%0.805SS**  trans-82.50161.6-128.7-173-168.6-177.93.5110.2

Retrieved 172 of 172 residues in 91.2 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).